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Lysine-sensitive aspartokinase 3

AlphaFold DB , UniProt , Accession P08660, Species ECOLI (Escherichia coli (strain K12)), Gene lysC, Length 449 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
1M51Low89Confident219 Ų21942.1 Ų42.1100%1.07923%0.23SC*.  0150.50-77.2172.7-170.300107.3
2S65.3Low89.4Confident73 Ų7343.3 Ų43.351%0.5124%0.24SC..PPolyproline II helixtrans-57.6139.2167.4480000109I4S2-I4 PolarHBondContact O-N 2.83Å
3E89.7Confident89.8Confident120 Ų12040 Ų4056%0.56122%0.222SC*.PPolyproline II helixtrans-59.7122.8170.4-71.2-179.2174.600108.6N32E3-N32 HydrophobicContact CB-CB 4.45Å
4I96.8Very high90.3Very high10 Ų1037.1 Ų37.15%0.05121%0.206CC..PPolyproline II helixtrans-101.2119.8177-64.4173.1000107.2S2 V6 R34 L171 L174 A214 S215S2-I4 PolarHBondContact O-N 2.83Å; I4-V6 HydrophobicContact CG2-CG2 4.43Å; I4-R34 HydrophobicContact CG2-CB 4.37Å; I4-L171 HydrophobicContact CD1-CD1 3.91Å; I4-L174 HydrophobicContact CD1-CD1 4.36Å; I4-A214 HydrophobicContact CB-CB 4.47Å; I4-A214 HydrophobicContact CG2-CB 4.29Å; I4-A214 CarbonylContact O-C 3.53Å; I4-A214 WeakPolarHBondContact O-CA 3.36Å; I4-A214 WeakPolarHBondContact O-CB 3.39Å; I4-S215 PolarHBondContact O-N 3.4Å; I4-S215 PolarHBondContact O-OG 3.02Å
5V98.2Very high90.7Very high1 Ų136.4 Ų36.41%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-101.3132.2166.5178.50000108.5N32 V33 R34 R216 D218V5-N32 HydrophobicContact CB-CB 4.44Å; V5-N32 HydrophobicContact CG2-CB 3.76Å; V5-N32 PolarHBondContact N-O 3.43Å; V5-V33 HydrophobicContact CB-CG2 4.06Å; V5-V33 HydrophobicContact CG1-CG2 3.95Å; V5-R34 PolarHBondContact O-N 2.71Å; V5-R216 WeakPolarHBondContact CA-O 3.44Å; V5-R216 HydrophobicContact CG1-CB 4.38Å; V5-R216 HydrophobicContact CG2-CB 4.19Å; V5-D218 WeakPolarHBondContact CG1-OD2 3.48Å
6V98.6Very high91.2Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans-100.2115.2172.7-178.90000108.5I4 L35 V37 A205 A209 A214 R216 V217 D218I4-V6 HydrophobicContact CG2-CG2 4.43Å; V6-L35 WeakPolarHBondContact CA-O 3.34Å; V6-L35 HydrophobicContact CG1-CB 4.47Å; V6-L35 HydrophobicContact CG1-CD2 4.08Å; V6-L35 HydrophobicContact CG1-CG 4.29Å; V6-L35 HydrophobicContact CG2-CB 4.25Å; V6-L35 HydrophobicContact CG2-CD2 4.04Å; V6-V37 HydrophobicContact CG1-CG2 3.97Å; V6-A205 HydrophobicContact CG1-CB 4.13Å; V6-A209 HydrophobicContact CB-CB 4.21Å; V6-A209 HydrophobicContact CG2-CB 3.86Å; V6-A214 HydrophobicContact CG2-CB 3.88Å; V6-R216 PolarHBondContact N-O 2.85Å; V6-R216 VanDerWaalsContact N-O 3.08Å; V6-V217 CarbonylContact O-C 3.5Å; V6-V217 WeakPolarHBondContact O-CA 3.5Å; V6-D218 PolarHBondContact O-N 3.4Å
7S98.4Very high91.6Very high1 Ų137.9 Ų37.91%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-106122.6-178.4-68.80000111.4V33 L35 V36 V37 D218S7-V33 WeakPolarHBondContact OG-CG1 3.39Å; S7-V33 WeakPolarHBondContact OG-CG2 3.48Å; S7-L35 PolarHBondContact N-O 2.88Å; S7-V36 CarbonylContact O-C 3.52Å; S7-V36 WeakPolarHBondContact O-CA 3.35Å; S7-V37 PolarHBondContact O-N 3.04Å; S7-D218 CarbonylContact C-O 3.51Å; S7-D218 WeakPolarHBondContact CA-O 3.43Å
8K97.8Very high92Very high14 Ų1439.6 Ų39.66%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-105.7135.7175.2-177.7-901781640111.1V37 S39 D202 A205 D218 I219 W220K8-V37 CarbonylContact C-O 3.59Å; K8-V37 WeakPolarHBondContact CA-O 3.4Å; K8-V37 HydrophobicContact CB-CB 4.25Å; K8-V37 HydrophobicContact CG-CB 4.3Å; K8-V37 HydrophobicContact CG-CG1 4.34Å; K8-S39 WeakPolarHBondContact CE-OG 3.36Å; K8-D202 WeakPolarHBondContact CD-OD1 3.23Å; K8-D202 WeakPolarHBondContact CE-OD1 3.19Å; K8-D202 IonicContact NZ-OD1 3.74Å; K8-D202 PolarHBondContact NZ-OD1 3.11Å; K8-A205 HydrophobicContact CB-CB 3.75Å; K8-A205 HydrophobicContact CG-CB 4.26Å; K8-D218 PolarHBondContact N-O 3.14Å; K8-I219 HydrophobicContact CB-CD1 3.77Å; K8-I219 HydrophobicContact CD-CD1 4.26Å; K8-I219 HydrophobicContact CD-CG2 4.06Å; K8-I219 HydrophobicContact CG-CD1 4.35Å; K8-W220 WeakPolarHBondContact O-CB 3.26Å; K8-W220 PolarHBondContact O-N 3.18Å
9F97.3Very high92.3Very high0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-116.9125.6173.9-65.5-91.1000110.7V14 S23 I26 V27 V36 V37 L38 S39 W220F9-V14 HydrophobicContact CB-CG1 4.2Å; F9-S23 VanDerWaalsContact CD1-CB 3.49Å; F9-S23 VanDerWaalsContact CD1-OG 3.26Å; F9-S23 WeakPolarHBondContact CD1-OG 3.2Å; F9-I26 HydrophobicContact CE1-CB 4.26Å; F9-I26 HydrophobicContact CE1-CD1 4.23Å; F9-I26 HydrophobicContact CE1-CG2 4.17Å; F9-I26 HydrophobicContact CZ-CB 4.22Å; F9-I26 HydrophobicContact CZ-CG2 3.98Å; F9-V27 HydrophobicContact CE2-CG2 3.46Å; F9-V27 VanDerWaalsContact CE2-CG2 3.46Å; F9-V27 HydrophobicContact CZ-CG2 3.62Å; F9-V36 HydrophobicContact CD2-CG1 3.72Å; F9-V36 HydrophobicContact CE2-CG1 3.84Å; F9-V37 PolarHBondContact N-O 3.13Å; F9-L38 HydrophobicContact CB-CD2 3.76Å; F9-L38 HydrophobicContact CD2-CD2 3.85Å; F9-L38 HydrophobicContact CG-CD2 4.19Å; F9-S39 PolarHBondContact O-N 3.13Å; F9-S39 VanDerWaalsContact O-N 3.15Å; F9-W220 HydrophobicContact CD1-CB 3.47Å; F9-W220 VanDerWaalsContact CD1-CB 3.47Å; F9-W220 AromaticContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CE1-CB 3.62Å; F9-W220 AromaticContact CE1-CD1 3.49Å; F9-W220 VanDerWaalsContact CE1-CD1 3.49Å; F9-W220 HydrophobicContact CE1-CD2 4.27Å; F9-W220 AromaticContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CE1-CG 3.49Å; F9-W220 VanDerWaalsContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CG-CB 4.23Å; F9-W220 HydrophobicContact CZ-CB 4.46Å; F9-W220 AromaticContact CZ-CD1 3.48Å; F9-W220 VanDerWaalsContact CZ-CD1 3.48Å; F9-W220 AromaticContact CZ-CG 3.98Å; F9-W220 HydrophobicContact CZ-CG 3.98Å; F9-W220 AromaticContact CZ-NE1 3.95Å
10G93Very high92.6Very high7 Ų735.7 Ų35.77%0.07220%0.198CC..  trans-71.5168.7175.900000112.9T12 S13 V14 W220G10-T12 PolarHBondContact O-N 2.83Å; G10-T12 VanDerWaalsContact O-N 3.14Å; G10-S13 WeakPolarHBondContact O-CA 3.2Å; G10-S13 VanDerWaalsContact O-CB 3.26Å; G10-S13 WeakPolarHBondContact O-CB 3.46Å; G10-S13 PolarHBondContact O-N 2.99Å; G10-V14 PolarHBondContact O-N 3.02Å; G10-W220 PolarHBondContact N-O 3.31Å; G10-W220 VanDerWaalsContact N-O 3.1Å
11G93.3Very high92.9Very high18 Ų1835.4 Ų35.419%0.18620%0.196CC..G310 helixtrans-59.5-30.2-175.200000114.6S13 V14 A15 A40 A42G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 2.91Å; G11-V14 CarbonylContact O-C 3.55Å; G11-V14 PolarHBondContact O-N 2.9Å; G11-A15 WeakPolarHBondContact O-CA 3.48Å; G11-A15 PolarHBondContact O-N 3.13Å; G11-A40 WeakPolarHBondContact CA-O 3.42Å; G11-A42 PolarHBondContact O-N 3.42Å
12T93.1Very high95.1Very high57 Ų5729 Ų2935%0.3516%0.16SC..G310 helixtrans-69.8-26.4173.752.10000113.1G10 V14G10-T12 PolarHBondContact O-N 2.83Å; G10-T12 VanDerWaalsContact O-N 3.14Å; T12-V14 VanDerWaalsContact C-N 3.31Å
13S95.5Very high96.7Very high0 Ų025.5 Ų25.50%014%0.136CC..G310 helixtrans-79.9-15175.5-54.20000112.7G10 G11 A19 S23 W220 S279G10-S13 WeakPolarHBondContact O-CA 3.2Å; G10-S13 VanDerWaalsContact O-CB 3.26Å; G10-S13 WeakPolarHBondContact O-CB 3.46Å; G10-S13 PolarHBondContact O-N 2.99Å; G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 2.91Å; S13-A19 CarbonylContact O-C 3.43Å; S13-A19 WeakPolarHBondContact O-CB 3.41Å; S13-S23 PolarHBondContact O-OG 3.48Å; S13-W220 PolarHBondContact OG-O 3.41Å; S13-S279 VanDerWaalsContact CB-OG 3.23Å; S13-S279 WeakPolarHBondContact CB-OG 3.49Å; S13-S279 WeakPolarHBondContact OG-CB 3.38Å; S13-S279 PolarHBondContact OG-OG 3.46Å
14V96.5Very high97.1Very high0 Ų019.8 Ų19.80%011%0.109CC..G310 helixtrans-127.528.7176.5-63.80000112F9 G10 G11 T12 D16 M20 L38 S39 S41F9-V14 HydrophobicContact CB-CG1 4.2Å; G10-V14 PolarHBondContact O-N 3.02Å; G11-V14 CarbonylContact O-C 3.55Å; G11-V14 PolarHBondContact O-N 2.9Å; T12-V14 VanDerWaalsContact C-N 3.31Å; V14-D16 PolarHBondContact O-N 3.43Å; V14-M20 HydrophobicContact CB-CE 4.02Å; V14-M20 HydrophobicContact CB-CG 4.02Å; V14-M20 HydrophobicContact CG1-CG 4.19Å; V14-L38 HydrophobicContact CG1-CD1 4.29Å; V14-L38 HydrophobicContact CG1-CD2 4.01Å; V14-S39 WeakPolarHBondContact CG2-O 3.45Å; V14-S41 WeakPolarHBondContact O-CA 3.21Å; V14-S41 VanDerWaalsContact O-CB 3.23Å; V14-S41 WeakPolarHBondContact O-CB 3.27Å; V14-S41 PolarHBondContact O-OG 2.85Å
15A96.8Very high97.1Very high26 Ų2623.6 Ų23.622%0.21513%0.129CC..SBendtrans-66.6-37.7-174.400000113.1G11 A19 A42G11-A15 WeakPolarHBondContact O-CA 3.48Å; G11-A15 PolarHBondContact O-N 3.13Å; A15-A19 HydrophobicContact CB-CB 4.41Å; A15-A42 HydrophobicContact CB-CB 3.65Å
16D98.1Very high97.1Very high68 Ų6823.9 Ų23.936%0.36413%0.131SC..SBendtrans-150.3177-175.257.550.5000110.1V14 D18 A19 M20V14-D16 PolarHBondContact O-N 3.43Å; D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 3.5Å; D16-D18 WeakPolarHBondContact OD1-CA 3.4Å; D16-D18 WeakPolarHBondContact OD1-CB 3.33Å; D16-D18 PolarHBondContact OD1-N 2.71Å; D16-A19 PolarHBondContact O-N 2.94Å; D16-A19 WeakPolarHBondContact OD1-CB 3.43Å; D16-A19 PolarHBondContact OD1-N 2.96Å; D16-M20 WeakPolarHBondContact O-CG 3.07Å; D16-M20 PolarHBondContact O-N 3.13Å
17F98.4Very high97.1Very high30 Ų3024.1 Ų24.113%0.13213%0.132CC..Hα-helixtrans-56.2-39.2179.4-179.9-88.5000112.7M20 N21 I74 R77 L78 I129F17-M20 PolarHBondContact O-N 3.34Å; F17-N21 VanDerWaalsContact CD1-ND2 3.29Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.47Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.16Å; F17-N21 VanDerWaalsContact CZ-ND2 3.28Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.26Å; F17-N21 WeakPolarHBondContact O-CB 3.39Å; F17-N21 PolarHBondContact O-N 2.82Å; F17-N21 PolarHBondContact O-ND2 3.39Å; F17-I74 HydrophobicContact CB-CG2 4.4Å; F17-R77 HydrophobicContact CB-CB 4.05Å; F17-R77 HydrophobicContact CD1-CB 4.13Å; F17-R77 VanDerWaalsContact CD1-NH2 3.3Å; F17-R77 HydrophobicContact CD2-CB 3.51Å; F17-R77 HydrophobicContact CE1-CB 4.45Å; F17-R77 HydrophobicContact CE2-CB 3.9Å; F17-R77 WeakPolarHBondContact CE2-O 3.4Å; F17-R77 HydrophobicContact CG-CB 3.63Å; F17-R77 HydrophobicContact CZ-CB 4.34Å; F17-R77 WeakPolarHBondContact CZ-O 3.29Å; F17-L78 HydrophobicContact CE2-CD2 4.14Å; F17-I129 HydrophobicContact CD2-CD1 4.22Å; F17-I129 HydrophobicContact CE2-CD1 4.5Å; F17-I129 HydrophobicContact CE2-CG1 4.37Å
18D98.1Very high97Very high69 Ų6927.8 Ų27.837%0.36915%0.152SC..Hα-helixtrans-72.9-38.1-178.5-62.5-48.8000111.4D16 N21 R22 R77D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 3.5Å; D16-D18 WeakPolarHBondContact OD1-CA 3.4Å; D16-D18 WeakPolarHBondContact OD1-CB 3.33Å; D16-D18 PolarHBondContact OD1-N 2.71Å; D18-N21 PolarHBondContact O-N 3.07Å; D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.96Å; D18-R22 PolarHBondContact O-NH1 3.22Å; D18-R77 VanDerWaalsContact CG-NH1 3.31Å; D18-R77 IonicContact OD1-CZ 3.65Å; D18-R77 IonicContact OD1-NH1 3.36Å; D18-R77 PolarHBondContact OD1-NH1 3.04Å; D18-R77 IonicContact OD1-NH2 3.38Å; D18-R77 PolarHBondContact OD1-NH2 2.88Å; D18-R77 IonicContact OD2-CZ 3.64Å; D18-R77 IonicContact OD2-NH1 2.63Å; D18-R77 PolarHBondContact OD2-NH1 2.71Å; D18-R77 IonicContact OD2-NH2 2.81Å; D18-R77 PolarHBondContact OD2-NH2 3.13Å
19A97.7Very high97Very high0 Ų031.8 Ų31.80%018%0.181CC..Hα-helixtrans-62.6-46.1173.100000111.4S13 A15 D16 N21 R22 S23S13-A19 CarbonylContact O-C 3.43Å; S13-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 HydrophobicContact CB-CB 4.41Å; D16-A19 PolarHBondContact O-N 2.94Å; D16-A19 WeakPolarHBondContact OD1-CB 3.43Å; D16-A19 PolarHBondContact OD1-N 2.96Å; A19-N21 VanDerWaalsContact C-N 3.33Å; A19-N21 PolarHBondContact O-N 3.06Å; A19-R22 VanDerWaalsContact CA-NH2 3.27Å; A19-R22 PolarHBondContact O-N 3.33Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.01Å; A19-S23 VanDerWaalsContact O-OG 3.11Å
20M98.5Very high96.9Very high0 Ų033.7 Ų33.70%019%0.191CC..Hα-helixtrans-61.6-40.7175-71.5-174.6173.500111.8V14 D16 F17 S23 A24 I74 L125 F126 I129V14-M20 HydrophobicContact CB-CE 4.02Å; V14-M20 HydrophobicContact CB-CG 4.02Å; V14-M20 HydrophobicContact CG1-CG 4.19Å; D16-M20 WeakPolarHBondContact O-CG 3.07Å; D16-M20 PolarHBondContact O-N 3.13Å; F17-M20 PolarHBondContact O-N 3.34Å; M20-S23 PolarHBondContact O-N 3.02Å; M20-A24 WeakPolarHBondContact O-CB 3.28Å; M20-A24 PolarHBondContact O-N 2.78Å; M20-I74 HydrophobicContact CE-CD1 3.78Å; M20-I74 HydrophobicContact CE-CG2 4.46Å; M20-I74 HydrophobicContact SD-CD1 4.25Å; M20-I74 HydrophobicContact SD-CG2 3.77Å; M20-L125 HydrophobicContact CE-CB 4.22Å; M20-L125 HydrophobicContact SD-CB 4.24Å; M20-F126 HydrophobicContact CB-CD2 3.88Å; M20-F126 HydrophobicContact CB-CE2 4.22Å; M20-F126 HydrophobicContact CG-CD2 3.99Å; M20-F126 VanDerWaalsContact O-CE2 3.28Å; M20-F126 WeakPolarHBondContact O-CE2 3.33Å; M20-F126 HydrophobicContact SD-CD2 4.42Å; M20-I129 HydrophobicContact CB-CD1 3.38Å; M20-I129 HydrophobicContact CG-CD1 4.12Å; M20-I129 HydrophobicContact SD-CD1 3.61Å
21N98.2Very high97Very high30 Ų3037.6 Ų37.616%0.1622%0.223CC..Hα-helixtrans-64.1-42175.9-86.3-88.5000112.4F17 D18 A19 S23 A24 D25 R133F17-N21 VanDerWaalsContact CD1-ND2 3.29Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.47Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.16Å; F17-N21 VanDerWaalsContact CZ-ND2 3.28Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.26Å; F17-N21 WeakPolarHBondContact O-CB 3.39Å; F17-N21 PolarHBondContact O-N 2.82Å; F17-N21 PolarHBondContact O-ND2 3.39Å; D18-N21 PolarHBondContact O-N 3.07Å; A19-N21 VanDerWaalsContact C-N 3.33Å; A19-N21 PolarHBondContact O-N 3.06Å; N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.43Å; N21-A24 WeakPolarHBondContact O-CB 3.38Å; N21-A24 PolarHBondContact O-N 2.88Å; N21-D25 VanDerWaalsContact O-CG 3.25Å; N21-D25 PolarHBondContact O-N 2.65Å; N21-R133 VanDerWaalsContact CB-NH2 3.31Å; N21-R133 PolarHBondContact O-NH2 2.84Å; N21-R133 VanDerWaalsContact O-NH2 3.11Å; N21-R133 PolarHBondContact OD1-NE 3.33Å; N21-R133 PolarHBondContact OD1-NH2 3.04Å
22R97.7Very high97.1Very high85 Ų8539.6 Ų39.632%0.32123%0.23SC..Hα-helixtrans-60.7-43172.7-71.8-172.2-60.2-85.62.8111.9D18 A19 A24 D25 I26D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.96Å; D18-R22 PolarHBondContact O-NH1 3.22Å; A19-R22 VanDerWaalsContact CA-NH2 3.27Å; A19-R22 PolarHBondContact O-N 3.33Å; R22-A24 VanDerWaalsContact C-N 3.33Å; R22-A24 PolarHBondContact O-N 2.99Å; R22-D25 WeakPolarHBondContact O-CB 3.49Å; R22-D25 PolarHBondContact O-N 3.25Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 3.2Å; R22-I26 VanDerWaalsContact O-N 3.13Å
23S98.2Very high97.3Very high0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-64.5-37.9176.7-63.70000111.7F9 S13 A19 M20 N21 I26 V27F9-S23 VanDerWaalsContact CD1-CB 3.49Å; F9-S23 VanDerWaalsContact CD1-OG 3.26Å; F9-S23 WeakPolarHBondContact CD1-OG 3.2Å; S13-S23 PolarHBondContact O-OG 3.48Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.01Å; A19-S23 VanDerWaalsContact O-OG 3.11Å; M20-S23 PolarHBondContact O-N 3.02Å; N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.43Å; S23-I26 WeakPolarHBondContact O-CB 3.46Å; S23-I26 PolarHBondContact O-N 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 3.3Å
24A98.4Very high97.5Very high0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-64.4-40.1172.600000112.1M20 N21 R22 I26 V27 L28 F126 I129 L130M20-A24 WeakPolarHBondContact O-CB 3.28Å; M20-A24 PolarHBondContact O-N 2.78Å; N21-A24 WeakPolarHBondContact O-CB 3.38Å; N21-A24 PolarHBondContact O-N 2.88Å; R22-A24 VanDerWaalsContact C-N 3.33Å; R22-A24 PolarHBondContact O-N 2.99Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.43Å; A24-V27 PolarHBondContact O-N 3.39Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.22Å; A24-L28 WeakPolarHBondContact O-CG 3.23Å; A24-L28 PolarHBondContact O-N 3.26Å; A24-F126 HydrophobicContact CB-CE2 4.34Å; A24-F126 HydrophobicContact CB-CZ 4.12Å; A24-I129 HydrophobicContact CB-CG2 4.3Å; A24-L130 HydrophobicContact CB-CD2 3.89Å
25D98.2Very high97.6Very high89 Ų8940.3 Ų40.348%0.47623%0.227SC..Hα-helixtrans-59-40.5174.5-62.5-28.4000111.6N21 R22 L28 S29 R133N21-D25 VanDerWaalsContact O-CG 3.25Å; N21-D25 PolarHBondContact O-N 2.65Å; R22-D25 WeakPolarHBondContact O-CB 3.49Å; R22-D25 PolarHBondContact O-N 3.25Å; D25-L28 PolarHBondContact O-N 2.92Å; D25-S29 WeakPolarHBondContact O-CB 3.35Å; D25-S29 PolarHBondContact O-N 3.04Å; D25-S29 VanDerWaalsContact O-N 3.1Å; D25-R133 IonicContact OD1-CZ 2.94Å; D25-R133 IonicContact OD1-NH1 3.23Å; D25-R133 PolarHBondContact OD1-NH1 3.38Å; D25-R133 IonicContact OD1-NH2 3.79Å; D25-R133 PolarHBondContact OD1-NH2 3.42Å
26I97.6Very high97.7Very high8 Ų839.1 Ų39.14%0.04122%0.217CC..Hα-helixtrans-64.5-50.4176.8-67.3166.4000110.7F9 R22 S23 A24 L28 S29 W220 P282F9-I26 HydrophobicContact CE1-CB 4.26Å; F9-I26 HydrophobicContact CE1-CD1 4.23Å; F9-I26 HydrophobicContact CE1-CG2 4.17Å; F9-I26 HydrophobicContact CZ-CB 4.22Å; F9-I26 HydrophobicContact CZ-CG2 3.98Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 3.2Å; R22-I26 VanDerWaalsContact O-N 3.13Å; S23-I26 WeakPolarHBondContact O-CB 3.46Å; S23-I26 PolarHBondContact O-N 3.31Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.43Å; I26-L28 PolarHBondContact O-N 3.04Å; I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.47Å; I26-W220 HydrophobicContact CD1-CD2 4.37Å; I26-W220 HydrophobicContact CD1-CE3 4.11Å; I26-W220 HydrophobicContact CD1-CZ3 4.31Å; I26-W220 HydrophobicContact CG2-CD2 3.92Å; I26-W220 HydrophobicContact CG2-CE3 4.39Å; I26-W220 HydrophobicContact CG2-CH2 3.86Å; I26-W220 HydrophobicContact CG2-CZ2 3.34Å; I26-W220 HydrophobicContact CG2-CZ3 4.36Å; I26-P282 HydrophobicContact CD1-CB 3.85Å; I26-P282 HydrophobicContact CD1-CG 4.02Å; I26-P282 HydrophobicContact CG1-CB 3.78Å; I26-P282 HydrophobicContact CG1-CG 3.87Å
27V98Very high97.7Very high4 Ų435.9 Ų35.92%0.02420%0.199CC..Hα-helixtrans-55.9-41.71781710000111.5F9 S23 A24 S29 V33 V36 F126 L178F9-V27 HydrophobicContact CE2-CG2 3.46Å; F9-V27 VanDerWaalsContact CE2-CG2 3.46Å; F9-V27 HydrophobicContact CZ-CG2 3.62Å; S23-V27 WeakPolarHBondContact O-CG2 3.33Å; S23-V27 PolarHBondContact O-N 3.3Å; A24-V27 PolarHBondContact O-N 3.39Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 2.74Å; V27-V33 HydrophobicContact CG1-CG1 4.01Å; V27-V36 HydrophobicContact CB-CG2 4.48Å; V27-V36 HydrophobicContact CG1-CG2 3.84Å; V27-V36 HydrophobicContact CG2-CG1 4.33Å; V27-V36 HydrophobicContact CG2-CG2 3.7Å; V27-F126 HydrophobicContact CG2-CZ 4.45Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 3.55Å; V27-L178 HydrophobicContact CG1-CG 4.36Å
28L97.5Very high97.7Very high79 Ų7934.4 Ų34.441%0.41419%0.193SC..Hα-helixtrans-79.1-11.9-177.7-61.9173.4000113.7A24 D25 I26 L130 V135A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.22Å; A24-L28 WeakPolarHBondContact O-CG 3.23Å; A24-L28 PolarHBondContact O-N 3.26Å; D25-L28 PolarHBondContact O-N 2.92Å; I26-L28 PolarHBondContact O-N 3.04Å; L28-L130 HydrophobicContact CD1-CD2 4.36Å; L28-L130 HydrophobicContact CD2-CD2 4.35Å; L28-L130 HydrophobicContact CG-CD2 4.36Å; L28-V135 HydrophobicContact CD1-CG2 3.83Å; L28-V135 HydrophobicContact CD2-CB 4.37Å; L28-V135 HydrophobicContact CD2-CG1 3.93Å; L28-V135 HydrophobicContact CD2-CG2 3.51Å; L28-V135 HydrophobicContact CG-CG2 4.31Å
29S96.3Very high97.6Very high97 Ų9731.9 Ų31.968%0.67818%0.18SC*.Hα-helixtrans-79.1-18.6177.774.10000113.9D25 I26 V27D25-S29 WeakPolarHBondContact O-CB 3.35Å; D25-S29 PolarHBondContact O-N 3.04Å; D25-S29 VanDerWaalsContact O-N 3.1Å; I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.47Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 2.74Å
30D95.6Very high97.6Very high40 Ų4032 Ų3221%0.21418%0.181CC..  trans-126.9106.5179.6-175.8-9.1000110.4N32 V33 R216D30-N32 PolarHBondContact O-N 3Å; D30-N32 WeakPolarHBondContact OD1-CB 3.4Å; D30-N32 PolarHBondContact OD1-N 3.42Å; D30-V33 HydrophobicContact CB-CG2 3.83Å; D30-V33 WeakPolarHBondContact O-CB 3.32Å; D30-V33 PolarHBondContact O-N 3.01Å; D30-R216 IonicContact OD2-CZ 3.7Å; D30-R216 IonicContact OD2-NH2 2.71Å; D30-R216 PolarHBondContact OD2-NH2 2.69Å
31A94.9Very high97.5Very high90 Ų9032 Ų3274%0.74418%0.181SC*.THydrogen-bonded Turntrans-66-16.7-177.800000114V33A31-V33 VanDerWaalsContact C-N 3.27Å
32N96.5Very high97.4Very high60 Ų6032.6 Ų32.632%0.32119%0.19SC..THydrogen-bonded Turntrans-76.9-16174-63.8-35.6000111.7E3 V5 D30 R34E3-N32 HydrophobicContact CB-CB 4.45Å; V5-N32 HydrophobicContact CB-CB 4.44Å; V5-N32 HydrophobicContact CG2-CB 3.76Å; V5-N32 PolarHBondContact N-O 3.43Å; D30-N32 PolarHBondContact O-N 3Å; D30-N32 WeakPolarHBondContact OD1-CB 3.4Å; D30-N32 PolarHBondContact OD1-N 3.42Å; N32-R34 PolarHBondContact O-N 3Å
33V97.7Very high97.2Very high8 Ų830.4 Ų30.45%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-69.7104.7172-179.60000108.8V5 S7 V27 D30 A31 V36 L178V5-V33 HydrophobicContact CB-CG2 4.06Å; V5-V33 HydrophobicContact CG1-CG2 3.95Å; S7-V33 WeakPolarHBondContact OG-CG1 3.39Å; S7-V33 WeakPolarHBondContact OG-CG2 3.48Å; V27-V33 HydrophobicContact CG1-CG1 4.01Å; D30-V33 HydrophobicContact CB-CG2 3.83Å; D30-V33 WeakPolarHBondContact O-CB 3.32Å; D30-V33 PolarHBondContact O-N 3.01Å; A31-V33 VanDerWaalsContact C-N 3.27Å; V33-V36 HydrophobicContact CG1-CG2 4.01Å; V33-L178 WeakPolarHBondContact O-CD1 3.3Å
34R97.7Very high97.1Very high64 Ų6430.4 Ų30.424%0.24220%0.195CC..EExtended strand (participates in β ladder)trans-110-24.8179.9-59.9-57.2-63.3-176.5-5.9113I4 V5 N32 L174 G177 V179I4-R34 HydrophobicContact CG2-CB 4.37Å; V5-R34 PolarHBondContact O-N 2.71Å; N32-R34 PolarHBondContact O-N 3Å; R34-L174 HydrophobicContact CB-CB 4.5Å; R34-L174 HydrophobicContact CB-CD2 3.98Å; R34-L174 VanDerWaalsContact CZ-O 3.31Å; R34-L174 PolarHBondContact NE-O 3.08Å; R34-L174 PolarHBondContact NH2-O 3.22Å; R34-L174 WeakPolarHBondContact O-CD2 3.29Å; R34-G177 VanDerWaalsContact NH2-N 3.2Å; R34-G177 PolarHBondContact NH2-O 3.49Å; R34-V179 PolarHBondContact O-N 2.9Å
35L98.7Very high97Very high0 Ų032.4 Ų32.40%021%0.207CC..EExtended strand (participates in β ladder)trans-125.3127.9-179.5-176.963.4000110.2V6 S7 L170 L174 V179 T181 L208 L212V6-L35 WeakPolarHBondContact CA-O 3.34Å; V6-L35 HydrophobicContact CG1-CB 4.47Å; V6-L35 HydrophobicContact CG1-CD2 4.08Å; V6-L35 HydrophobicContact CG1-CG 4.29Å; V6-L35 HydrophobicContact CG2-CB 4.25Å; V6-L35 HydrophobicContact CG2-CD2 4.04Å; S7-L35 PolarHBondContact N-O 2.88Å; L35-L170 HydrophobicContact CD1-CD1 4.22Å; L35-L170 HydrophobicContact CD1-CD2 4.4Å; L35-L170 HydrophobicContact CD2-CD2 4.11Å; L35-L174 HydrophobicContact CB-CD2 3.86Å; L35-L174 HydrophobicContact CD1-CD2 4.23Å; L35-V179 CarbonylContact C-O 3.56Å; L35-V179 WeakPolarHBondContact CA-O 3.13Å; L35-V179 HydrophobicContact CD1-CB 3.96Å; L35-V179 HydrophobicContact CD1-CG1 3.88Å; L35-T181 HydrophobicContact CD1-CG2 3.75Å; L35-T181 HydrophobicContact CG-CG2 4.37Å; L35-L208 HydrophobicContact CD2-CB 3.86Å; L35-L208 HydrophobicContact CD2-CD1 4.06Å; L35-L208 HydrophobicContact CD2-CG 4.43Å; L35-L212 HydrophobicContact CD2-CD1 3.6Å
36V98.8Very high96.8Very high0 Ų034 Ų340%022%0.216CC..EExtended strand (participates in β ladder)trans-118.2124.3178.1-177.40000110S7 F9 V27 V33 L38 F126 L178 V179 I180 T181S7-V36 CarbonylContact O-C 3.52Å; S7-V36 WeakPolarHBondContact O-CA 3.35Å; F9-V36 HydrophobicContact CD2-CG1 3.72Å; F9-V36 HydrophobicContact CE2-CG1 3.84Å; V27-V36 HydrophobicContact CB-CG2 4.48Å; V27-V36 HydrophobicContact CG1-CG2 3.84Å; V27-V36 HydrophobicContact CG2-CG1 4.33Å; V27-V36 HydrophobicContact CG2-CG2 3.7Å; V33-V36 HydrophobicContact CG1-CG2 4.01Å; V36-L38 HydrophobicContact CG1-CD2 3.57Å; V36-L38 HydrophobicContact CG1-CG 4.28Å; V36-F126 HydrophobicContact CG1-CE1 4.2Å; V36-L178 HydrophobicContact CG2-CD1 3.88Å; V36-V179 PolarHBondContact N-O 3.12Å; V36-I180 HydrophobicContact CB-CD1 3.57Å; V36-I180 HydrophobicContact CG1-CD1 4.26Å; V36-I180 HydrophobicContact CG2-CD1 3.74Å; V36-I180 WeakPolarHBondContact O-CA 3.33Å; V36-T181 PolarHBondContact O-N 3.38Å
37V98.8Very high96.8Very high0 Ų035.1 Ų35.10%022%0.221CC..EExtended strand (participates in β ladder)trans-107123.1178.7-178.20000109V6 S7 K8 F9 T181 G183 T204 A205 L208V6-V37 HydrophobicContact CG1-CG2 3.97Å; S7-V37 PolarHBondContact O-N 3.04Å; K8-V37 CarbonylContact C-O 3.59Å; K8-V37 WeakPolarHBondContact CA-O 3.4Å; K8-V37 HydrophobicContact CB-CB 4.25Å; K8-V37 HydrophobicContact CG-CB 4.3Å; K8-V37 HydrophobicContact CG-CG1 4.34Å; F9-V37 PolarHBondContact N-O 3.13Å; V37-T181 WeakPolarHBondContact CA-O 3.48Å; V37-T181 HydrophobicContact CG2-CG2 3.83Å; V37-G183 VanDerWaalsContact CG1-CA 3.42Å; V37-T204 HydrophobicContact CG1-CG2 4.04Å; V37-A205 HydrophobicContact CB-CB 4.35Å; V37-A205 HydrophobicContact CG2-CB 4.18Å; V37-L208 HydrophobicContact CG2-CD1 3.98Å
38L98.5Very high96.8Very high0 Ų035 Ų350%022%0.22CC..EExtended strand (participates in β ladder)trans-111.6141.7179-51.2-176.9000111.9F9 V14 V36 T123 F126 I180 T181 G183F9-L38 HydrophobicContact CB-CD2 3.76Å; F9-L38 HydrophobicContact CD2-CD2 3.85Å; F9-L38 HydrophobicContact CG-CD2 4.19Å; V14-L38 HydrophobicContact CG1-CD1 4.29Å; V14-L38 HydrophobicContact CG1-CD2 4.01Å; V36-L38 HydrophobicContact CG1-CD2 3.57Å; V36-L38 HydrophobicContact CG1-CG 4.28Å; L38-T123 HydrophobicContact CB-CG2 3.75Å; L38-T123 HydrophobicContact CD1-CG2 3.96Å; L38-T123 HydrophobicContact CG-CG2 4Å; L38-F126 HydrophobicContact CD1-CB 3.39Å; L38-F126 HydrophobicContact CD1-CD1 3.82Å; L38-F126 HydrophobicContact CD1-CD2 4.04Å; L38-F126 HydrophobicContact CD1-CG 3.49Å; L38-F126 VanDerWaalsContact CD1-CG 3.49Å; L38-I180 HydrophobicContact CD1-CG2 4Å; L38-I180 HydrophobicContact CG-CG2 4.27Å; L38-T181 PolarHBondContact N-O 2.76Å; L38-G183 PolarHBondContact O-N 3.04Å
39S97Very high96.7Very high15 Ų1533.2 Ų33.211%0.10521%0.213CC..PPolyproline II helixtrans-77.2169.1159.4-600000111K8 F9 V14 S122 S201K8-S39 WeakPolarHBondContact CE-OG 3.36Å; F9-S39 PolarHBondContact O-N 3.13Å; F9-S39 VanDerWaalsContact O-N 3.15Å; V14-S39 WeakPolarHBondContact CG2-O 3.45Å; S39-S122 WeakPolarHBondContact O-CB 3.27Å; S39-S122 PolarHBondContact O-OG 3.38Å; S39-S201 WeakPolarHBondContact OG-CB 3.36Å; S39-S201 PolarHBondContact OG-OG 2.93Å
40A96.7Very high96.7Very high2 Ų229.6 Ų29.62%0.01719%0.189CC..PPolyproline II helixtrans-59.3152.5164.800000111.4G11 I44 T45 G118 E119G11-A40 WeakPolarHBondContact CA-O 3.42Å; A40-I44 HydrophobicContact CB-CB 4.21Å; A40-I44 HydrophobicContact CB-CG2 4.21Å; A40-T45 WeakPolarHBondContact CB-OG1 3.44Å; A40-G118 VanDerWaalsContact CB-C 3.46Å; A40-E119 PolarHBondContact N-OE1 2.72Å
41S97.3Very high96.8Very high1 Ų127.7 Ų27.71%0.00718%0.179CC..PPolyproline II helixtrans-56.5147.9172.9-60.20000111.7V14 G43 I44V14-S41 WeakPolarHBondContact O-CA 3.21Å; V14-S41 VanDerWaalsContact O-CB 3.23Å; V14-S41 WeakPolarHBondContact O-CB 3.27Å; V14-S41 PolarHBondContact O-OG 2.85Å; S41-G43 PolarHBondContact O-N 3.26Å; S41-I44 VanDerWaalsContact O-CB 3.27Å; S41-I44 WeakPolarHBondContact O-CB 3.11Å; S41-I44 WeakPolarHBondContact O-CG1 3.49Å; S41-I44 PolarHBondContact O-N 3.2Å
42A94.5Very high96.9Very high42 Ų4223.6 Ų23.635%0.34715%0.145SC..THydrogen-bonded Turntrans-47.7128.4-176.400000112.6G11 A15 I44G11-A42 PolarHBondContact O-N 3.42Å; A15-A42 HydrophobicContact CB-CB 3.65Å; A42-I44 VanDerWaalsContact C-N 3.27Å; A42-I44 PolarHBondContact O-N 2.9Å
43G93.7Very high96.8Very high40 Ų4026.3 Ų26.341%0.41216%0.156SC..THydrogen-bonded Turntrans84.6-22179.500000115.3S41 T45 N46 L47S41-G43 PolarHBondContact O-N 3.26Å; G43-T45 PolarHBondContact O-N 3.16Å; G43-N46 PolarHBondContact O-N 3.44Å; G43-L47 WeakPolarHBondContact O-CG 3.49Å; G43-L47 PolarHBondContact O-N 3.41Å; G43-L47 VanDerWaalsContact O-N 3.17Å
44I97.6Very high96.6Very high0 Ų027.2 Ų27.20%017%0.166CC..Hα-helixtrans-61.1-47.7-176.1-66.3-66.9000112A40 S41 A42 N46 L47 L48 I67 I70A40-I44 HydrophobicContact CB-CB 4.21Å; A40-I44 HydrophobicContact CB-CG2 4.21Å; S41-I44 VanDerWaalsContact O-CB 3.27Å; S41-I44 WeakPolarHBondContact O-CB 3.11Å; S41-I44 WeakPolarHBondContact O-CG1 3.49Å; S41-I44 PolarHBondContact O-N 3.2Å; A42-I44 VanDerWaalsContact C-N 3.27Å; A42-I44 PolarHBondContact O-N 2.9Å; I44-N46 PolarHBondContact O-N 3.37Å; I44-L47 HydrophobicContact CD1-CD1 4.49Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-L47 VanDerWaalsContact O-N 3.08Å; I44-L48 HydrophobicContact CG2-CD1 3.53Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.9Å; I44-I67 HydrophobicContact CD1-CB 4.32Å; I44-I67 HydrophobicContact CD1-CG1 4.15Å; I44-I67 HydrophobicContact CD1-CG2 4.15Å; I44-I70 HydrophobicContact CD1-CB 3.93Å; I44-I70 HydrophobicContact CD1-CD1 3.74Å; I44-I70 HydrophobicContact CD1-CG1 4.45Å; I44-I70 HydrophobicContact CD1-CG2 3.8Å; I44-I70 HydrophobicContact CG1-CD1 4.48Å; I44-I70 HydrophobicContact CG1-CG2 4.13Å
45T95.2Very high96.5Very high42 Ų4225.3 Ų25.326%0.25816%0.16SC..Hα-helixtrans-55-40.8178.2-51.50000111.8A40 G43 L48 V49 V115A40-T45 WeakPolarHBondContact CB-OG1 3.44Å; G43-T45 PolarHBondContact O-N 3.16Å; T45-L48 PolarHBondContact O-N 3.3Å; T45-V49 HydrophobicContact CG2-CG2 4.39Å; T45-V49 WeakPolarHBondContact O-CB 3.34Å; T45-V49 VanDerWaalsContact O-CG2 3.26Å; T45-V49 WeakPolarHBondContact O-CG2 3.44Å; T45-V49 PolarHBondContact O-N 2.84Å; T45-V115 HydrophobicContact CG2-CG1 3.75Å
46N94.4Very high96.4Very high123 Ų12332 Ų3266%0.65819%0.192SC*.Hα-helixtrans-68.1-39.5179.4-67.3-12.1000111.9G43 I44 L48 A50G43-N46 PolarHBondContact O-N 3.44Å; I44-N46 PolarHBondContact O-N 3.37Å; N46-L48 VanDerWaalsContact C-N 3.35Å; N46-A50 WeakPolarHBondContact O-CB 3.31Å; N46-A50 PolarHBondContact O-N 2.84Å
47L98.1Very high96.3Very high31 Ų3135.8 Ų35.816%0.16222%0.217CC..Hα-helixtrans-64.1-41.8175.2-62.9172000111.1G43 I44 A50 L51 K63 A66 I67 I70G43-L47 WeakPolarHBondContact O-CG 3.49Å; G43-L47 PolarHBondContact O-N 3.41Å; G43-L47 VanDerWaalsContact O-N 3.17Å; I44-L47 HydrophobicContact CD1-CD1 4.49Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-L47 VanDerWaalsContact O-N 3.08Å; L47-A50 PolarHBondContact O-N 2.82Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 3.16Å; L47-K63 HydrophobicContact CD2-CD 3.45Å; L47-K63 VanDerWaalsContact CD2-CD 3.45Å; L47-A66 HydrophobicContact CD1-CB 3.94Å; L47-A66 HydrophobicContact CD2-CB 4.4Å; L47-I67 HydrophobicContact CB-CD1 3.91Å; L47-I67 HydrophobicContact CB-CG1 3.76Å; L47-I67 HydrophobicContact CD1-CG1 3.75Å; L47-I67 HydrophobicContact CG-CG1 4.4Å; L47-I70 HydrophobicContact CD1-CD1 4.02Å
48L98.2Very high96.3Very high0 Ų038 Ų380%024%0.24CC..Hα-helixtrans-66.9-45177.8-67.1171.6000111.7I44 T45 N46 A50 L51 A52 I67 I95 L114 V115I44-L48 HydrophobicContact CG2-CD1 3.53Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.26Å; I44-L48 PolarHBondContact O-N 2.9Å; T45-L48 PolarHBondContact O-N 3.3Å; N46-L48 VanDerWaalsContact C-N 3.35Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.82Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-A52 PolarHBondContact O-N 3.07Å; L48-I67 HydrophobicContact CD2-CD1 3.61Å; L48-I67 HydrophobicContact CG-CD1 4.14Å; L48-I95 HydrophobicContact CD2-CD1 4.01Å; L48-I95 HydrophobicContact CD2-CG1 4.21Å; L48-I95 HydrophobicContact CD2-CG2 3.89Å; L48-L114 HydrophobicContact CB-CD2 3.55Å; L48-L114 HydrophobicContact CD2-CD2 3.54Å; L48-L114 HydrophobicContact CG-CD2 4.1Å; L48-L114 WeakPolarHBondContact O-CD2 3.33Å; L48-V115 HydrophobicContact CB-CB 4.44Å; L48-V115 HydrophobicContact CB-CG2 4.06Å; L48-V115 WeakPolarHBondContact CD1-O 3.47Å
49V95.4Very high96.2Very high43 Ų4343.1 Ų43.126%0.26126%0.263SS..Hα-helixtrans-58.4-46175.3169.30000110.6T45 L51 A52 E53 V115T45-V49 HydrophobicContact CG2-CG2 4.39Å; T45-V49 WeakPolarHBondContact O-CB 3.34Å; T45-V49 VanDerWaalsContact O-CG2 3.26Å; T45-V49 WeakPolarHBondContact O-CG2 3.44Å; T45-V49 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.37Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.04Å; V49-A52 VanDerWaalsContact O-N 3.08Å; V49-E53 PolarHBondContact O-N 3.06Å; V49-V115 HydrophobicContact CG2-CG2 3.75Å
50A95.9Very high96.3Very high21 Ų2144.2 Ų44.217%0.17427%0.265CS..Hα-helixtrans-60.1-42.1176.400000112.2N46 L47 L48 A52 E53 L55N46-A50 WeakPolarHBondContact O-CB 3.31Å; N46-A50 PolarHBondContact O-N 2.84Å; L47-A50 PolarHBondContact O-N 2.82Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.74Å; A50-E53 WeakPolarHBondContact O-CB 3.49Å; A50-E53 PolarHBondContact O-N 3.16Å; A50-E53 VanDerWaalsContact O-N 3.16Å; A50-L55 HydrophobicContact CB-CD1 4.37Å; A50-L55 VanDerWaalsContact O-CG 3.29Å; A50-L55 WeakPolarHBondContact O-CG 3.31Å
51L97.9Very high96.3Very high0 Ų050.7 Ų50.70%029%0.293CS..Hα-helixtrans-60.5-37174.7-73.8167.8000112.4L47 L48 V49 E53 G54 L55 R60 K63 L64 I67 I95 A99 A102 L114L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 3.16Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.98Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.37Å; L51-E53 PolarHBondContact O-N 3.34Å; L51-G54 PolarHBondContact O-N 2.85Å; L51-L55 HydrophobicContact CD2-CD1 4.27Å; L51-R60 HydrophobicContact CD2-CB 4.38Å; L51-R60 HydrophobicContact CD2-CG 3.62Å; L51-K63 HydrophobicContact CD1-CB 4.42Å; L51-K63 HydrophobicContact CD2-CB 3.93Å; L51-K63 HydrophobicContact CG-CB 4.02Å; L51-L64 HydrophobicContact CD1-CD2 3.87Å; L51-L64 HydrophobicContact CD1-CG 4.36Å; L51-L64 HydrophobicContact CD2-CD2 4.36Å; L51-L64 HydrophobicContact CD2-CG 4.12Å; L51-I67 HydrophobicContact CD1-CD1 3.54Å; L51-I95 HydrophobicContact CD1-CG2 4Å; L51-A99 HydrophobicContact CB-CB 4.17Å; L51-A99 HydrophobicContact CD2-CB 3.88Å; L51-A99 HydrophobicContact CG-CB 4.44Å; L51-A102 WeakPolarHBondContact O-CB 3.38Å; L51-L114 HydrophobicContact CB-CD1 4.07Å; L51-L114 HydrophobicContact CB-CD2 4.17Å
52A96.7Very high96.4Very high3 Ų356.2 Ų56.23%0.02532%0.319CS..Hα-helixtrans-71.5-13.917900000113.9L48 V49 A50 G54 T106 T111 L114L48-A52 PolarHBondContact O-N 3.07Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.04Å; V49-A52 VanDerWaalsContact O-N 3.08Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.74Å; A52-G54 VanDerWaalsContact C-N 3.26Å; A52-T106 VanDerWaalsContact O-CG2 3.3Å; A52-T106 WeakPolarHBondContact O-CG2 3.35Å; A52-T111 HydrophobicContact CB-CG2 3.81Å; A52-L114 HydrophobicContact CB-CD1 4.22Å
53E94.4Very high96.6Very high118 Ų11857 Ų5755%0.55132%0.315SS*.THydrogen-bonded Turntrans-79.2-7.1174.4-67.8172.2170.700112.9V49 A50 L51V49-E53 PolarHBondContact O-N 3.06Å; A50-E53 WeakPolarHBondContact O-CB 3.49Å; A50-E53 PolarHBondContact O-N 3.16Å; A50-E53 VanDerWaalsContact O-N 3.16Å; L51-E53 PolarHBondContact O-N 3.34Å
54G93.7Very high96.8Very high26 Ų2656.5 Ų56.527%0.26830%0.302SS..THydrogen-bonded Turntrans84.264.2175.100000113.3L51 A52L51-G54 PolarHBondContact O-N 2.85Å; A52-G54 VanDerWaalsContact C-N 3.26Å
55L95.6Very high96.8Very high24 Ų2459.7 Ų59.713%0.12632%0.319CS..  trans-73.9150.9-177.7-58.2178.3000113.4A50 L51 E59 R60 K63A50-L55 HydrophobicContact CB-CD1 4.37Å; A50-L55 VanDerWaalsContact O-CG 3.29Å; A50-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 HydrophobicContact CD2-CD1 4.27Å; L55-E59 HydrophobicContact CB-CB 4.19Å; L55-E59 HydrophobicContact CD1-CB 4.32Å; L55-R60 HydrophobicContact CB-CB 4.11Å; L55-R60 PolarHBondContact O-NE 3.34Å; L55-R60 VanDerWaalsContact O-NE 3.15Å; L55-R60 PolarHBondContact O-NH2 3.04Å; L55-K63 HydrophobicContact CD1-CG 3.83Å
56E96.7Very high97Very high141 Ų14159.2 Ų59.266%0.65932%0.32SS*.  trans-61.3154.7168.3-71.6-60.7148.800111.7G58 E59 R60E56-G58 VanDerWaalsContact C-N 3.28Å; E56-G58 PolarHBondContact O-N 3.03Å; E56-G58 VanDerWaalsContact O-N 3.1Å; E56-E59 PolarHBondContact O-N 3.45Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.03Å; E56-R60 PolarHBondContact O-N 3.25Å
57P96.9Very high97.2Very high80 Ų8053.4 Ų53.452%0.51929%0.289SS..Hα-helixtrans-52.6-38.5-171.7-29.635.5000115.6F61P57-F61 WeakPolarHBondContact O-CB 3.05Å; P57-F61 PolarHBondContact O-N 3.01Å
58G97.3Very high97.2Very high47 Ų4756.8 Ų56.849%0.48530%0.299SS..Hα-helixtrans-66.4-53.7179.400000112.7E56 R60 F61 E62E56-G58 VanDerWaalsContact C-N 3.28Å; E56-G58 PolarHBondContact O-N 3.03Å; E56-G58 VanDerWaalsContact O-N 3.1Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.1Å; G58-F61 PolarHBondContact O-N 3.44Å; G58-E62 PolarHBondContact O-N 3.49Å; G58-E62 VanDerWaalsContact O-N 3.11Å
59E97.6Very high97.2Very high107 Ų10761.1 Ų61.150%0.532%0.322SS..Hα-helixtrans-63.4-38.5177.9-65.3-178.7173.400111.6L55 E56 E62 K63L55-E59 HydrophobicContact CB-CB 4.19Å; L55-E59 HydrophobicContact CD1-CB 4.32Å; E56-E59 PolarHBondContact O-N 3.45Å; E59-E62 PolarHBondContact O-N 3.38Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.13Å; E59-K63 VanDerWaalsContact O-N 3.11Å
60R98Very high97.4Very high37 Ų3761.4 Ų61.414%0.1432%0.322CS..Hα-helixtrans-58.9-48.2175.1-166.4-171.1-48.1145.49.8111.3L51 L55 E56 G58 E62 K63 L64 A99L51-R60 HydrophobicContact CD2-CB 4.38Å; L51-R60 HydrophobicContact CD2-CG 3.62Å; L55-R60 HydrophobicContact CB-CB 4.11Å; L55-R60 PolarHBondContact O-NE 3.34Å; L55-R60 VanDerWaalsContact O-NE 3.15Å; L55-R60 PolarHBondContact O-NH2 3.04Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.03Å; E56-R60 PolarHBondContact O-N 3.25Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.1Å; R60-E62 PolarHBondContact O-N 3.28Å; R60-K63 PolarHBondContact O-N 3.44Å; R60-L64 HydrophobicContact CG-CD1 4.08Å; R60-L64 WeakPolarHBondContact O-CB 3.41Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.44Å; R60-L64 PolarHBondContact O-N 3.5Å; R60-A99 HydrophobicContact CG-CB 4.09Å
61F98.1Very high97.5Very high139 Ų13960.4 Ų60.461%0.6131%0.314SS*.Hα-helixtrans-59.1-45.9177.6178.4-94.5000111.6P57 G58 K63 L64 D65P57-F61 WeakPolarHBondContact O-CB 3.05Å; P57-F61 PolarHBondContact O-N 3.01Å; G58-F61 PolarHBondContact O-N 3.44Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 2.93Å; F61-L64 PolarHBondContact O-N 2.9Å; F61-D65 WeakPolarHBondContact O-CB 3.24Å; F61-D65 PolarHBondContact O-N 3.28Å
62E98.3Very high97.5Very high117 Ų11762 Ų6255%0.54732%0.321SS..Hα-helixtrans-57.9-42.5177.8-70178.3177.900112.8G58 E59 R60 A66G58-E62 PolarHBondContact O-N 3.49Å; G58-E62 VanDerWaalsContact O-N 3.11Å; E59-E62 PolarHBondContact O-N 3.38Å; R60-E62 PolarHBondContact O-N 3.28Å; E62-A66 WeakPolarHBondContact O-CB 3.15Å; E62-A66 PolarHBondContact O-N 3.05Å
63K98.4Very high97.6Very high58 Ų5864.8 Ų64.825%0.25234%0.344SS..Hα-helixtrans-72.7-39-179.4-58.6-66.7172-73.70111.5L47 L51 L55 E59 R60 F61 A66 I67L47-K63 HydrophobicContact CD2-CD 3.45Å; L47-K63 VanDerWaalsContact CD2-CD 3.45Å; L51-K63 HydrophobicContact CD1-CB 4.42Å; L51-K63 HydrophobicContact CD2-CB 3.93Å; L51-K63 HydrophobicContact CG-CB 4.02Å; L55-K63 HydrophobicContact CD1-CG 3.83Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.13Å; E59-K63 VanDerWaalsContact O-N 3.11Å; R60-K63 PolarHBondContact O-N 3.44Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 2.93Å; K63-A66 PolarHBondContact O-N 3.17Å; K63-I67 WeakPolarHBondContact O-CG1 3.4Å; K63-I67 PolarHBondContact O-N 2.63Å
64L98.6Very high97.8Very high29 Ų2959.2 Ų59.215%0.15232%0.317CS..Hα-helixtrans-61.9-44.7173.5-71.4170.9000111.6L51 R60 F61 I67 R68 I95 T96 A99L51-L64 HydrophobicContact CD1-CD2 3.87Å; L51-L64 HydrophobicContact CD1-CG 4.36Å; L51-L64 HydrophobicContact CD2-CD2 4.36Å; L51-L64 HydrophobicContact CD2-CG 4.12Å; R60-L64 HydrophobicContact CG-CD1 4.08Å; R60-L64 WeakPolarHBondContact O-CB 3.41Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.44Å; R60-L64 PolarHBondContact O-N 3.5Å; F61-L64 PolarHBondContact O-N 2.9Å; L64-I67 PolarHBondContact O-N 3.15Å; L64-R68 WeakPolarHBondContact O-CB 3.41Å; L64-R68 PolarHBondContact O-N 2.83Å; L64-I95 HydrophobicContact CD2-CG2 3.69Å; L64-T96 HydrophobicContact CD1-CG2 4.06Å; L64-A99 HydrophobicContact CD2-CB 4.5Å
65D98.5Very high98Very high67 Ų6758 Ų5836%0.35831%0.305SS..Hα-helixtrans-65.2-41.2177.4-167.765.1000111.4F61 I67 R68 N69F61-D65 WeakPolarHBondContact O-CB 3.24Å; F61-D65 PolarHBondContact O-N 3.28Å; D65-I67 PolarHBondContact O-N 3.02Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; D65-N69 WeakPolarHBondContact O-CB 3.3Å; D65-N69 PolarHBondContact O-N 3.02Å; D65-N69 PolarHBondContact O-ND2 3.34Å; D65-N69 VanDerWaalsContact O-ND2 3.08Å; D65-N69 PolarHBondContact OD2-ND2 3.35Å
66A98.5Very high98.1Very high33 Ų3361.4 Ų61.427%0.27332%0.32SS..Hα-helixtrans-59.7-44.7174.200000112.7L47 E62 K63 N69 I70L47-A66 HydrophobicContact CD1-CB 3.94Å; L47-A66 HydrophobicContact CD2-CB 4.4Å; E62-A66 WeakPolarHBondContact O-CB 3.15Å; E62-A66 PolarHBondContact O-N 3.05Å; K63-A66 PolarHBondContact O-N 3.17Å; A66-N69 PolarHBondContact O-N 3.46Å; A66-I70 WeakPolarHBondContact O-CG1 3.36Å; A66-I70 PolarHBondContact O-N 3.15Å; A66-I70 VanDerWaalsContact O-N 3.09Å
67I98.7Very high98.2Very high0 Ų060.1 Ų60.10%031%0.309CS..Hα-helixtrans-60-49.4174.5-68.6164.8000109.7I44 L47 L48 L51 K63 L64 D65 N69 I70 Q71 L92 I95 M121I44-I67 HydrophobicContact CD1-CB 4.32Å; I44-I67 HydrophobicContact CD1-CG1 4.15Å; I44-I67 HydrophobicContact CD1-CG2 4.15Å; L47-I67 HydrophobicContact CB-CD1 3.91Å; L47-I67 HydrophobicContact CB-CG1 3.76Å; L47-I67 HydrophobicContact CD1-CG1 3.75Å; L47-I67 HydrophobicContact CG-CG1 4.4Å; L48-I67 HydrophobicContact CD2-CD1 3.61Å; L48-I67 HydrophobicContact CG-CD1 4.14Å; L51-I67 HydrophobicContact CD1-CD1 3.54Å; K63-I67 WeakPolarHBondContact O-CG1 3.4Å; K63-I67 PolarHBondContact O-N 2.63Å; L64-I67 PolarHBondContact O-N 3.15Å; D65-I67 PolarHBondContact O-N 3.02Å; I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 PolarHBondContact O-N 2.66Å; I67-I70 PolarHBondContact O-N 3.4Å; I67-Q71 HydrophobicContact CG2-CG 4.35Å; I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 3.32Å; I67-L92 HydrophobicContact CG2-CD2 3.7Å; I67-I95 HydrophobicContact CD1-CG2 4.47Å; I67-I95 HydrophobicContact CG2-CD1 4.35Å; I67-M121 HydrophobicContact CG2-CE 4.09Å
68R98.6Very high98.3Very high103 Ų10356.8 Ų56.839%0.38929%0.287SS..Hα-helixtrans-55.8-48.5178.9-172.6178-153110.95.1111.4L64 D65 I70 Q71 F72 L92L64-R68 WeakPolarHBondContact O-CB 3.41Å; L64-R68 PolarHBondContact O-N 2.83Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; R68-I70 PolarHBondContact O-N 3.33Å; R68-Q71 PolarHBondContact O-N 3.29Å; R68-F72 HydrophobicContact CG-CD2 3.76Å; R68-F72 HydrophobicContact CG-CE2 3.93Å; R68-F72 WeakPolarHBondContact O-CB 3.21Å; R68-F72 WeakPolarHBondContact O-CD2 3.43Å; R68-F72 PolarHBondContact O-N 3.08Å; R68-L92 HydrophobicContact CG-CD1 4.12Å
69N98.4Very high98.3Very high90 Ų9061.3 Ų61.348%0.48129%0.29SS..Hα-helixtrans-60.7-42.7-179.4-71.6-34000112.3D65 A66 I67 A73D65-N69 WeakPolarHBondContact O-CB 3.3Å; D65-N69 PolarHBondContact O-N 3.02Å; D65-N69 PolarHBondContact O-ND2 3.34Å; D65-N69 VanDerWaalsContact O-ND2 3.08Å; D65-N69 PolarHBondContact OD2-ND2 3.35Å; A66-N69 PolarHBondContact O-N 3.46Å; I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 PolarHBondContact O-N 2.66Å; N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.38Å; N69-A73 PolarHBondContact O-N 3.16Å
70I98.2Very high98.2Very high49 Ų4963.1 Ų63.125%0.25129%0.293SS..Hα-helixtrans-63.1-48.1177-68.4164.2000110.8I44 L47 A66 I67 R68 A73I44-I70 HydrophobicContact CD1-CB 3.93Å; I44-I70 HydrophobicContact CD1-CD1 3.74Å; I44-I70 HydrophobicContact CD1-CG1 4.45Å; I44-I70 HydrophobicContact CD1-CG2 3.8Å; I44-I70 HydrophobicContact CG1-CD1 4.48Å; I44-I70 HydrophobicContact CG1-CG2 4.13Å; L47-I70 HydrophobicContact CD1-CD1 4.02Å; A66-I70 WeakPolarHBondContact O-CG1 3.36Å; A66-I70 PolarHBondContact O-N 3.15Å; A66-I70 VanDerWaalsContact O-N 3.09Å; I67-I70 PolarHBondContact O-N 3.4Å; R68-I70 PolarHBondContact O-N 3.33Å; I70-A73 PolarHBondContact O-N 3.25Å
71Q98.3Very high98.1Very high0 Ų062.5 Ų62.50%029%0.293CS..Hα-helixtrans-67.6-42.4-177.7-60-57.3-31.600111.8I67 R68 A73 I74 L75 I88 M121I67-Q71 HydrophobicContact CG2-CG 4.35Å; I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 3.32Å; R68-Q71 PolarHBondContact O-N 3.29Å; Q71-A73 PolarHBondContact O-N 3.09Å; Q71-I74 PolarHBondContact O-N 2.96Å; Q71-L75 PolarHBondContact O-N 3.33Å; Q71-I88 HydrophobicContact CB-CG2 4.34Å; Q71-M121 HydrophobicContact CG-CE 4.07Å; Q71-M121 HydrophobicContact CG-SD 3.73Å
72F98.3Very high98.1Very high34 Ų3461.7 Ų61.715%0.14930%0.296CS..Hα-helixtrans-69-31.9178.4-86.4-110.7000112.6R68 I74 L75 E76 R85 E89 L92R68-F72 HydrophobicContact CG-CD2 3.76Å; R68-F72 HydrophobicContact CG-CE2 3.93Å; R68-F72 WeakPolarHBondContact O-CB 3.21Å; R68-F72 WeakPolarHBondContact O-CD2 3.43Å; R68-F72 PolarHBondContact O-N 3.08Å; F72-I74 PolarHBondContact O-N 3.23Å; F72-L75 HydrophobicContact CD1-CD2 4.22Å; F72-L75 HydrophobicContact CE1-CD2 4.15Å; F72-L75 HydrophobicContact CG-CD2 4.5Å; F72-L75 HydrophobicContact CZ-CD2 4.33Å; F72-L75 PolarHBondContact O-N 2.83Å; F72-E76 HydrophobicContact CD1-CG 4.43Å; F72-E76 WeakPolarHBondContact O-CB 3.5Å; F72-E76 VanDerWaalsContact O-CG 3.3Å; F72-E76 WeakPolarHBondContact O-CG 3.3Å; F72-E76 PolarHBondContact O-N 3.15Å; F72-R85 VanDerWaalsContact CE1-NH1 3.33Å; F72-E89 HydrophobicContact CE2-CG 4.46Å; F72-E89 HydrophobicContact CZ-CG 3.89Å; F72-L92 HydrophobicContact CD2-CD1 4.17Å; F72-L92 HydrophobicContact CE2-CD1 3.57Å
73A98.3Very high98Very high61 Ų6160.4 Ų60.450%0.50430%0.296SS..Hα-helixtrans-61.1-24.7173.200000113.1N69 I70 Q71 R77N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.38Å; N69-A73 PolarHBondContact O-N 3.16Å; I70-A73 PolarHBondContact O-N 3.25Å; Q71-A73 PolarHBondContact O-N 3.09Å; A73-R77 WeakPolarHBondContact O-CD 3.38Å; A73-R77 WeakPolarHBondContact O-CG 3.25Å
74I98.5Very high98Very high1 Ų158.4 Ų58.41%0.00529%0.287CS..Hα-helixtrans-86.8-51.3172.7-55.3174000110.1F17 M20 Q71 F72 E76 R77 L125F17-I74 HydrophobicContact CB-CG2 4.4Å; M20-I74 HydrophobicContact CE-CD1 3.78Å; M20-I74 HydrophobicContact CE-CG2 4.46Å; M20-I74 HydrophobicContact SD-CD1 4.25Å; M20-I74 HydrophobicContact SD-CG2 3.77Å; Q71-I74 PolarHBondContact O-N 2.96Å; F72-I74 PolarHBondContact O-N 3.23Å; I74-E76 PolarHBondContact O-N 3.43Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.12Å; I74-L125 HydrophobicContact CB-CD1 4.05Å; I74-L125 HydrophobicContact CD1-CD1 4.21Å; I74-L125 HydrophobicContact CG2-CB 4.19Å; I74-L125 HydrophobicContact CG2-CD1 4.01Å; I74-L125 HydrophobicContact CG2-CD2 4.32Å; I74-L125 HydrophobicContact CG2-CG 4.41Å
75L98.4Very high98Very high0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-53.3-50.4-178.1-179.768.6000111.9Q71 F72 R77 L78 P81 I84 R85 L125Q71-L75 PolarHBondContact O-N 3.33Å; F72-L75 HydrophobicContact CD1-CD2 4.22Å; F72-L75 HydrophobicContact CE1-CD2 4.15Å; F72-L75 HydrophobicContact CG-CD2 4.5Å; F72-L75 HydrophobicContact CZ-CD2 4.33Å; F72-L75 PolarHBondContact O-N 2.83Å; L75-R77 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact O-N 3.14Å; L75-L78 HydrophobicContact CD1-CD1 4.1Å; L75-L78 VanDerWaalsContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 2.8Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L75-P81 HydrophobicContact CD1-CB 4.32Å; L75-P81 HydrophobicContact CG-CB 4.29Å; L75-P81 WeakPolarHBondContact O-CB 3.44Å; L75-I84 HydrophobicContact CD1-CG2 3.42Å; L75-I84 VanDerWaalsContact CD1-CG2 3.42Å; L75-R85 HydrophobicContact CD2-CB 4.18Å; L75-R85 HydrophobicContact CD2-CG 4.18Å; L75-L125 HydrophobicContact CB-CD2 4.15Å; L75-L125 HydrophobicContact CD1-CD2 4.11Å
76E98.3Very high98Very high97 Ų9763.8 Ų63.845%0.45331%0.307SS..THydrogen-bonded Turntrans-70.4-9.3-175.6-61.5-56.8158.500113.9F72 I74 R85F72-E76 HydrophobicContact CD1-CG 4.43Å; F72-E76 WeakPolarHBondContact O-CB 3.5Å; F72-E76 VanDerWaalsContact O-CG 3.3Å; F72-E76 WeakPolarHBondContact O-CG 3.3Å; F72-E76 PolarHBondContact O-N 3.15Å; I74-E76 PolarHBondContact O-N 3.43Å; E76-R85 IonicContact OE1-CZ 3.26Å; E76-R85 IonicContact OE1-NH1 3.5Å; E76-R85 PolarHBondContact OE1-NH1 3.47Å; E76-R85 IonicContact OE1-NH2 2.66Å; E76-R85 PolarHBondContact OE1-NH2 3.27Å; E76-R85 IonicContact OE2-NH2 2.73Å; E76-R85 PolarHBondContact OE2-NH2 2.93Å
77R98.3Very high98Very high114 Ų11465.1 Ų65.143%0.4331%0.308SS..THydrogen-bonded Turntrans-95.1-9.2175-68.3-175.163.5-172.6-3113.3F17 D18 A73 I74 L75F17-R77 HydrophobicContact CB-CB 4.05Å; F17-R77 HydrophobicContact CD1-CB 4.13Å; F17-R77 VanDerWaalsContact CD1-NH2 3.3Å; F17-R77 HydrophobicContact CD2-CB 3.51Å; F17-R77 HydrophobicContact CE1-CB 4.45Å; F17-R77 HydrophobicContact CE2-CB 3.9Å; F17-R77 WeakPolarHBondContact CE2-O 3.4Å; F17-R77 HydrophobicContact CG-CB 3.63Å; F17-R77 HydrophobicContact CZ-CB 4.34Å; F17-R77 WeakPolarHBondContact CZ-O 3.29Å; D18-R77 VanDerWaalsContact CG-NH1 3.31Å; D18-R77 IonicContact OD1-CZ 3.65Å; D18-R77 IonicContact OD1-NH1 3.36Å; D18-R77 PolarHBondContact OD1-NH1 3.04Å; D18-R77 IonicContact OD1-NH2 3.38Å; D18-R77 PolarHBondContact OD1-NH2 2.88Å; D18-R77 IonicContact OD2-CZ 3.64Å; D18-R77 IonicContact OD2-NH1 2.63Å; D18-R77 PolarHBondContact OD2-NH1 2.71Å; D18-R77 IonicContact OD2-NH2 2.81Å; D18-R77 PolarHBondContact OD2-NH2 3.13Å; A73-R77 WeakPolarHBondContact O-CD 3.38Å; A73-R77 WeakPolarHBondContact O-CG 3.25Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.12Å; L75-R77 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact O-N 3.14Å
78L98.3Very high97.9Very high9 Ų965.1 Ų65.15%0.04731%0.308CS..SBendtrans-61.7147.9168.4-63.1179000109.8F17 L75 Y80 P81 I84 L125 E128 I129 E132F17-L78 HydrophobicContact CE2-CD2 4.14Å; L75-L78 HydrophobicContact CD1-CD1 4.1Å; L75-L78 VanDerWaalsContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 2.8Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-P81 HydrophobicContact CB-CB 4.49Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; L78-I84 HydrophobicContact CD1-CG2 3.93Å; L78-L125 HydrophobicContact CD1-CD2 4.35Å; L78-E128 HydrophobicContact CD1-CB 4.04Å; L78-E128 HydrophobicContact CD2-CB 4.4Å; L78-I129 HydrophobicContact CD2-CD1 4.45Å; L78-I129 HydrophobicContact CD2-CG1 3.54Å; L78-E132 WeakPolarHBondContact CB-OE1 3.43Å
79R97.2Very high97.9Very high143 Ų14363 Ų6354%0.5430%0.302SS..SBendtrans-65.2-34.8169.4-69.4-178.1-87.2179.8-25112.3E132R79-E132 WeakPolarHBondContact CA-OE1 3.36Å; R79-E132 HydrophobicContact CB-CG 4.38Å; R79-E132 WeakPolarHBondContact CB-OE1 3.32Å; R79-E132 WeakPolarHBondContact CB-OE2 3.5Å; R79-E132 WeakPolarHBondContact CG-OE2 3.26Å; R79-E132 PolarHBondContact N-OE1 3.48Å; R79-E132 PolarHBondContact N-OE2 3.07Å; R79-E132 VanDerWaalsContact N-OE2 3.07Å; R79-E132 IonicContact NE-OE2 2.79Å; R79-E132 PolarHBondContact NE-OE2 2.94Å; R79-E132 PolarHBondContact NH1-O 3.02Å; R79-E132 PolarHBondContact NH2-O 3.13Å
80Y96.5Very high98Very high145 Ų14564 Ų6457%0.56930%0.3SS*.SBendtrans-125.263.5-178.3-51.7-65.6000112.1L78 N82 V83 E132L78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 3.44Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; Y80-V83 WeakPolarHBondContact O-CG2 3.43Å; Y80-V83 PolarHBondContact O-N 3.37Å; Y80-V83 VanDerWaalsContact O-N 3.16Å; Y80-E132 HydrophobicContact CD2-CG 4.07Å; Y80-E132 PolarHBondContact N-OE1 3.23Å
81P96.5Very high98Very high23 Ų2362 Ų6215%0.14929%0.289CS..G310 helixtrans-59.6-31-171.924.7-34.9000113.6L75 L78 V83 I84 R85L75-P81 HydrophobicContact CD1-CB 4.32Å; L75-P81 HydrophobicContact CG-CB 4.29Å; L75-P81 WeakPolarHBondContact O-CB 3.44Å; L78-P81 HydrophobicContact CB-CB 4.49Å; L78-P81 WeakPolarHBondContact O-CD 3.41Å; P81-V83 PolarHBondContact O-N 3.33Å; P81-V83 VanDerWaalsContact O-N 3.15Å; P81-I84 PolarHBondContact O-N 2.93Å; P81-R85 WeakPolarHBondContact O-CB 3.41Å; P81-R85 PolarHBondContact O-N 3.48Å
82N97.2Very high98Very high123 Ų12362.4 Ų62.466%0.65829%0.291SS*.G310 helixtrans-65.2-18.5-176.7-64-21.3000113.6Y80 I84 R85Y80-N82 PolarHBondContact O-N 3.44Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; N82-I84 PolarHBondContact O-N 3.06Å; N82-R85 PolarHBondContact OD1-NE 3.34Å
83V96.5Very high98Very high90 Ų9066.7 Ų66.755%0.54531%0.312SS..G310 helixtrans-68.3-23.3179.2-54.90000112.8Y80 P81 E128Y80-V83 WeakPolarHBondContact O-CG2 3.43Å; Y80-V83 PolarHBondContact O-N 3.37Å; Y80-V83 VanDerWaalsContact O-N 3.16Å; P81-V83 PolarHBondContact O-N 3.33Å; P81-V83 VanDerWaalsContact O-N 3.15Å; V83-E128 HydrophobicContact CG2-CG 4.04Å; V83-E128 VanDerWaalsContact CG2-OE2 3.3Å; V83-E128 WeakPolarHBondContact CG2-OE2 3.43Å
84I97.6Very high98Very high16 Ų1666.7 Ų66.78%0.08230%0.303CS..THydrogen-bonded Turntrans-129.6-8.1-175.5-158.763.8000113.6L75 L78 P81 N82 E86 E87 I88 L124 L125 E128L75-I84 HydrophobicContact CD1-CG2 3.42Å; L75-I84 VanDerWaalsContact CD1-CG2 3.42Å; L78-I84 HydrophobicContact CD1-CG2 3.93Å; P81-I84 PolarHBondContact O-N 2.93Å; N82-I84 PolarHBondContact O-N 3.06Å; I84-E86 PolarHBondContact O-N 3.28Å; I84-E87 HydrophobicContact CD1-CB 4.01Å; I84-E87 HydrophobicContact CD1-CG 4.27Å; I84-E87 PolarHBondContact O-N 3.45Å; I84-E87 VanDerWaalsContact O-N 3.15Å; I84-I88 HydrophobicContact CG1-CG1 4.33Å; I84-I88 PolarHBondContact O-N 2.91Å; I84-I88 VanDerWaalsContact O-N 3.08Å; I84-L124 HydrophobicContact CD1-CB 4.28Å; I84-L124 HydrophobicContact CD1-CD2 4.18Å; I84-L124 HydrophobicContact CG1-CB 4.26Å; I84-L125 HydrophobicContact CG2-CD2 4.48Å; I84-E128 HydrophobicContact CB-CG 3.88Å; I84-E128 HydrophobicContact CG1-CG 4.17Å; I84-E128 HydrophobicContact CG2-CG 4.01Å
85R98.6Very high98Very high49 Ų4966.7 Ų66.719%0.18530%0.303CS..Hα-helixtrans-50.3-52.9-179.4177.1-179.1-60.5-75.7-0.8113F72 L75 E76 P81 N82 E87 I88 E89F72-R85 VanDerWaalsContact CE1-NH1 3.33Å; L75-R85 HydrophobicContact CD2-CB 4.18Å; L75-R85 HydrophobicContact CD2-CG 4.18Å; E76-R85 IonicContact OE1-CZ 3.26Å; E76-R85 IonicContact OE1-NH1 3.5Å; E76-R85 PolarHBondContact OE1-NH1 3.47Å; E76-R85 IonicContact OE1-NH2 2.66Å; E76-R85 PolarHBondContact OE1-NH2 3.27Å; E76-R85 IonicContact OE2-NH2 2.73Å; E76-R85 PolarHBondContact OE2-NH2 2.93Å; P81-R85 WeakPolarHBondContact O-CB 3.41Å; P81-R85 PolarHBondContact O-N 3.48Å; N82-R85 PolarHBondContact OD1-NE 3.34Å; R85-E87 PolarHBondContact O-N 3.01Å; R85-I88 PolarHBondContact O-N 3.06Å; R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.43Å
86E98.2Very high98Very high159 Ų15968.9 Ų68.974%0.74332%0.317SS*.Hα-helixtrans-59-37.9-176.9-66.8-177.3175.300111.7I84 E89 R90I84-E86 PolarHBondContact O-N 3.28Å; E86-E89 PolarHBondContact O-N 3Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.35Å
87E98.3Very high98Very high61 Ų6168.5 Ų68.529%0.28532%0.321SS..Hα-helixtrans-70.9-40.3179.3-17864.3-178.200111.9I84 R85 R90 L91 L124I84-E87 HydrophobicContact CD1-CB 4.01Å; I84-E87 HydrophobicContact CD1-CG 4.27Å; I84-E87 PolarHBondContact O-N 3.45Å; I84-E87 VanDerWaalsContact O-N 3.15Å; R85-E87 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact CD-NH2 3.3Å; E87-R90 PolarHBondContact O-N 2.6Å; E87-R90 IonicContact OE1-CZ 3.59Å; E87-R90 IonicContact OE1-NE 3.72Å; E87-R90 IonicContact OE1-NH2 2.65Å; E87-R90 PolarHBondContact OE1-NH2 3.23Å; E87-R90 IonicContact OE2-CZ 3.42Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 3.3Å; E87-R90 IonicContact OE2-NH2 3.25Å; E87-R90 PolarHBondContact OE2-NH2 2.84Å; E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 2.83Å; E87-L124 HydrophobicContact CG-CD1 3.73Å
88I98.5Very high98Very high0 Ų064.7 Ų64.70%031%0.309CS..Hα-helixtrans-65.1-42.8174.5-63.9-61.4000111Q71 I84 R85 L91 L92 M121 L124 L125Q71-I88 HydrophobicContact CB-CG2 4.34Å; I84-I88 HydrophobicContact CG1-CG1 4.33Å; I84-I88 PolarHBondContact O-N 2.91Å; I84-I88 VanDerWaalsContact O-N 3.08Å; R85-I88 PolarHBondContact O-N 3.06Å; I88-L91 PolarHBondContact O-N 3.14Å; I88-L92 HydrophobicContact CG2-CD1 4.08Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.63Å; I88-M121 HydrophobicContact CD1-CB 4.19Å; I88-M121 HydrophobicContact CD1-CG 4.2Å; I88-L124 HydrophobicContact CD1-CB 4.36Å; I88-L124 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD2 4.24Å; I88-L125 HydrophobicContact CD1-CG 4.03Å; I88-L125 HydrophobicContact CG1-CD2 4.24Å
89E98.6Very high98Very high58 Ų5864.3 Ų64.327%0.27131%0.307SS..Hα-helixtrans-61.9-44.2176.1-74.2177.5166.300111.6F72 R85 E86 L91 L92 E93F72-E89 HydrophobicContact CE2-CG 4.46Å; F72-E89 HydrophobicContact CZ-CG 3.89Å; R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 3Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.21Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-L92 VanDerWaalsContact O-N 3.13Å; E89-E93 WeakPolarHBondContact O-CG 3.41Å; E89-E93 PolarHBondContact O-N 3.49Å
90R98.6Very high98.1Very high113 Ų11362.4 Ų62.443%0.42630%0.304SS..Hα-helixtrans-58-42174.5-172-175.173.183.52112.4E86 E87 E93 N94E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.35Å; E87-R90 VanDerWaalsContact CD-NH2 3.3Å; E87-R90 PolarHBondContact O-N 2.6Å; E87-R90 IonicContact OE1-CZ 3.59Å; E87-R90 IonicContact OE1-NE 3.72Å; E87-R90 IonicContact OE1-NH2 2.65Å; E87-R90 PolarHBondContact OE1-NH2 3.23Å; E87-R90 IonicContact OE2-CZ 3.42Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 3.3Å; E87-R90 IonicContact OE2-NH2 3.25Å; E87-R90 PolarHBondContact OE2-NH2 2.84Å; R90-E93 PolarHBondContact O-N 3.47Å; R90-N94 VanDerWaalsContact O-CG 3.29Å; R90-N94 PolarHBondContact O-N 2.96Å; R90-N94 PolarHBondContact O-ND2 2.91Å
91L98.6Very high98.1Very high5 Ų557.4 Ų57.43%0.02629%0.293CS..Hα-helixtrans-66.5-38.7176-69.8176.9000112.1E87 I88 E89 N94 I95 L120 M121 L124E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 2.83Å; I88-L91 PolarHBondContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.21Å; L91-N94 PolarHBondContact O-N 3.37Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 2.89Å; L91-L120 HydrophobicContact CD1-CB 4.09Å; L91-L120 HydrophobicContact CD2-CD1 4.37Å; L91-M121 HydrophobicContact CB-CG 4.08Å; L91-M121 HydrophobicContact CB-SD 4.35Å; L91-M121 HydrophobicContact CD1-CG 3.65Å; L91-L124 HydrophobicContact CD1-CD1 3.58Å
92L98.7Very high98.2Very high9 Ų956.4 Ų56.45%0.04729%0.287CS..Hα-helixtrans-66.6-36.9175.6-69.5166.1000112.6I67 R68 F72 I88 E89 I95 T96 M121I67-L92 HydrophobicContact CG2-CD2 3.7Å; R68-L92 HydrophobicContact CG-CD1 4.12Å; F72-L92 HydrophobicContact CD2-CD1 4.17Å; F72-L92 HydrophobicContact CE2-CD1 3.57Å; I88-L92 HydrophobicContact CG2-CD1 4.08Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.63Å; E89-L92 WeakPolarHBondContact O-CB 3.22Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-L92 VanDerWaalsContact O-N 3.13Å; L92-I95 HydrophobicContact CD2-CD1 4.35Å; L92-I95 PolarHBondContact O-N 2.94Å; L92-T96 PolarHBondContact O-N 3.04Å; L92-T96 PolarHBondContact O-OG1 3.26Å; L92-M121 HydrophobicContact CD2-SD 4.12Å; L92-M121 HydrophobicContact CG-SD 4.36Å
93E98.5Very high98.1Very high124 Ų12452.5 Ų52.558%0.57927%0.271SS*.Hα-helixtrans-63.2-44.7172.4-73.5174.9-175.700111.1E89 R90 I95 T96 V97E89-E93 WeakPolarHBondContact O-CG 3.41Å; E89-E93 PolarHBondContact O-N 3.49Å; R90-E93 PolarHBondContact O-N 3.47Å; E93-I95 PolarHBondContact O-N 2.99Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.42Å; E93-T96 VanDerWaalsContact O-N 3.1Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 2.85Å
94N98.4Very high98.1Very high61 Ų6155.9 Ų55.933%0.32629%0.285SS..Hα-helixtrans-60-43.6174.7-69.6-18.5000112.2R90 L91 T96 V97 L98 H117R90-N94 VanDerWaalsContact O-CG 3.29Å; R90-N94 PolarHBondContact O-N 2.96Å; R90-N94 PolarHBondContact O-ND2 2.91Å; L91-N94 PolarHBondContact O-N 3.37Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.25Å; N94-V97 PolarHBondContact O-N 2.66Å; N94-L98 WeakPolarHBondContact O-CB 3.17Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 3.34Å; N94-H117 WeakPolarHBondContact CB-NE2 3.5Å
95I98.6Very high98Very high1 Ų158.3 Ų58.31%0.00531%0.308CS..Hα-helixtrans-58.4-41.6175-66.4163.7000110.4L48 L51 L64 I67 L91 L92 E93 L98 A99 H117 M121L48-I95 HydrophobicContact CD2-CD1 4.01Å; L48-I95 HydrophobicContact CD2-CG1 4.21Å; L48-I95 HydrophobicContact CD2-CG2 3.89Å; L51-I95 HydrophobicContact CD1-CG2 4Å; L64-I95 HydrophobicContact CD2-CG2 3.69Å; I67-I95 HydrophobicContact CD1-CG2 4.47Å; I67-I95 HydrophobicContact CG2-CD1 4.35Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 2.89Å; L92-I95 HydrophobicContact CD2-CD1 4.35Å; L92-I95 PolarHBondContact O-N 2.94Å; E93-I95 PolarHBondContact O-N 2.99Å; I95-L98 PolarHBondContact O-N 3.4Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.34Å; I95-A99 PolarHBondContact O-N 3.08Å; I95-H117 HydrophobicContact CD1-CB 3.68Å; I95-H117 HydrophobicContact CG1-CB 3.65Å; I95-M121 HydrophobicContact CD1-CE 3.65Å; I95-M121 HydrophobicContact CD1-SD 4.15Å
96T98.5Very high97.9Very high46 Ų4660 Ų6028%0.28232%0.324SS..Hα-helixtrans-61.2-49.5178.7-56.80000111L64 L92 E93 N94 L98 A99 E100L64-T96 HydrophobicContact CD1-CG2 4.06Å; L92-T96 PolarHBondContact O-N 3.04Å; L92-T96 PolarHBondContact O-OG1 3.26Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.42Å; E93-T96 VanDerWaalsContact O-N 3.1Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.25Å; T96-L98 VanDerWaalsContact C-N 3.35Å; T96-L98 PolarHBondContact O-N 3.33Å; T96-A99 PolarHBondContact O-N 2.8Å; T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 3.22Å
97V98.3Very high97.8Very high90 Ų9054.7 Ų54.755%0.54530%0.304SS..Hα-helixtrans-61.1-42.8177.91740000111.5E93 N94 E100 A101E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 2.85Å; N94-V97 PolarHBondContact O-N 2.66Å; V97-E100 PolarHBondContact O-N 2.8Å; V97-A101 PolarHBondContact O-N 2.97Å
98L98.4Very high97.6Very high34 Ų3455.8 Ų55.818%0.17832%0.317CS..Hα-helixtrans-67-38.5178.4-70168.9000112.1N94 I95 T96 A101 A102 E113 L114 H117N94-L98 WeakPolarHBondContact O-CB 3.17Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 3.34Å; I95-L98 PolarHBondContact O-N 3.4Å; T96-L98 VanDerWaalsContact C-N 3.35Å; T96-L98 PolarHBondContact O-N 3.33Å; L98-A101 PolarHBondContact O-N 3.18Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.35Å; L98-E113 HydrophobicContact CD1-CG 3.8Å; L98-E113 HydrophobicContact CD2-CG 4.21Å; L98-L114 HydrophobicContact CB-CB 4.35Å; L98-L114 HydrophobicContact CB-CD1 4.02Å; L98-L114 HydrophobicContact CB-CG 4.19Å; L98-L114 HydrophobicContact CD1-CB 4.37Å; L98-H117 VanDerWaalsContact CD1-CE1 3.49Å; L98-H117 WeakPolarHBondContact CD1-CE1 3.42Å
99A98.3Very high97.6Very high0 Ų057 Ų570%033%0.327CS..Hα-helixtrans-67.2-36.9176.200000112.3L51 R60 L64 I95 T96 A102 A103 L114L51-A99 HydrophobicContact CB-CB 4.17Å; L51-A99 HydrophobicContact CD2-CB 3.88Å; L51-A99 HydrophobicContact CG-CB 4.44Å; R60-A99 HydrophobicContact CG-CB 4.09Å; L64-A99 HydrophobicContact CD2-CB 4.5Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.34Å; I95-A99 PolarHBondContact O-N 3.08Å; T96-A99 PolarHBondContact O-N 2.8Å; A99-A102 PolarHBondContact O-N 3.03Å; A99-A103 PolarHBondContact O-N 3.21Å; A99-L114 HydrophobicContact CB-CD1 4.4Å
100E98Very high97.5Very high103 Ų10355.5 Ų55.548%0.48132%0.32SS..Hα-helixtrans-64.7-41.2171.9-72176.7170.700111.7T96 V97 A103 L104T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 3.22Å; V97-E100 PolarHBondContact O-N 2.8Å; E100-A103 PolarHBondContact O-N 3Å; E100-L104 PolarHBondContact O-N 3.25Å
101A97.8Very high97.5Very high41 Ų4152 Ų5234%0.33931%0.312SS..Hα-helixtrans-64.3-40.5174.200000112.1V97 L98 A103 L104 A105 L110V97-A101 PolarHBondContact O-N 2.97Å; L98-A101 PolarHBondContact O-N 3.18Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.34Å; A101-L104 WeakPolarHBondContact O-CB 3.41Å; A101-L104 PolarHBondContact O-N 3.5Å; A101-A105 PolarHBondContact O-N 3.05Å; A101-L110 HydrophobicContact CB-CD1 3.82Å
102A97.1Very high97.4Very high2 Ų251.9 Ų51.92%0.01731%0.311CS..Hα-helixtrans-59.3-37.2176.600000112.4L51 L98 A99 L104 A105 T106 L110L51-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.35Å; A99-A102 PolarHBondContact O-N 3.03Å; A102-L104 PolarHBondContact O-N 3.37Å; A102-A105 CarbonylContact O-C 3.49Å; A102-A105 PolarHBondContact O-N 3.37Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.42Å; A102-L110 HydrophobicContact CB-CD1 4.47Å; A102-L110 HydrophobicContact CB-CD2 3.64Å
103A96.2Very high97.4Very high40 Ų4054.3 Ų54.333%0.33132%0.322SS..Hα-helixtrans-69-20.5177.200000113.8A99 E100 A101A99-A103 PolarHBondContact O-N 3.21Å; E100-A103 PolarHBondContact O-N 3Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.34Å
104L96.4Very high97.4Very high161 Ų16148.4 Ų48.484%0.84329%0.294SS*.Hα-helixtrans-87-44.8172.2-62.7175000111.4E100 A101 A102E100-L104 PolarHBondContact O-N 3.25Å; A101-L104 WeakPolarHBondContact O-CB 3.41Å; A101-L104 PolarHBondContact O-N 3.5Å; A102-L104 PolarHBondContact O-N 3.37Å
105A96.2Very high97.4Very high67 Ų6745.7 Ų45.755%0.55428%0.28SS*.  trans-156.9118.8177.700000110.8A101 A102A101-A105 PolarHBondContact O-N 3.05Å; A102-A105 CarbonylContact O-C 3.49Å; A102-A105 PolarHBondContact O-N 3.37Å
106T94.8Very high97.4Very high84 Ų8445.6 Ų45.652%0.51528%0.28SS..  trans-76.4148.5172.263.60000110.4A52 A102A52-T106 VanDerWaalsContact O-CG2 3.3Å; A52-T106 WeakPolarHBondContact O-CG2 3.35Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.42Å
107S96.3Very high97.4Very high49 Ų4943.6 Ų43.634%0.34327%0.267SS..  trans-154.7150.2168.471.10000110.5A109 L110 T111S107-A109 PolarHBondContact O-N 3.44Å; S107-L110 PolarHBondContact O-N 2.97Å; S107-L110 VanDerWaalsContact OG-CB 3.31Å; S107-L110 WeakPolarHBondContact OG-CB 3.47Å; S107-L110 PolarHBondContact OG-N 3.34Å; S107-T111 PolarHBondContact O-N 3.4Å; S107-T111 PolarHBondContact O-OG1 2.87Å; S107-T111 VanDerWaalsContact O-OG1 3.12Å
108P94.9Very high97.4Very high84 Ų8439.3 Ų39.355%0.54524%0.241SC..Hα-helixtrans-54.7-37176.5-29.737.3000113.9T111 D112 F152P108-T111 PolarHBondContact O-N 3.41Å; P108-D112 PolarHBondContact O-N 2.98Å; P108-F152 HydrophobicContact CB-CB 3.58Å; P108-F152 HydrophobicContact CB-CG 4.48Å
109A97.6Very high97.3Very high25 Ų2537.9 Ų37.921%0.20723%0.234CC..Hα-helixtrans-68.3-37.8177.800000112.8S107 E113 F152S107-A109 PolarHBondContact O-N 3.44Å; A109-E113 PolarHBondContact O-N 3.31Å; A109-E113 VanDerWaalsContact O-N 3.15Å; A109-F152 VanDerWaalsContact CA-CD1 3.49Å; A109-F152 HydrophobicContact CB-CD1 3.77Å; A109-F152 HydrophobicContact CB-CD2 3.96Å; A109-F152 HydrophobicContact CB-CE1 3.66Å; A109-F152 HydrophobicContact CB-CE2 3.88Å; A109-F152 HydrophobicContact CB-CG 3.94Å; A109-F152 HydrophobicContact CB-CZ 3.73Å
110L97.8Very high97.4Very high26 Ų2638.2 Ų38.214%0.13624%0.236CC..Hα-helixtrans-66.9-42.4173.9-175.2154.5000110.6A101 A102 S107 D112 E113 L114A101-L110 HydrophobicContact CB-CD1 3.82Å; A102-L110 HydrophobicContact CB-CD1 4.47Å; A102-L110 HydrophobicContact CB-CD2 3.64Å; S107-L110 PolarHBondContact O-N 2.97Å; S107-L110 VanDerWaalsContact OG-CB 3.31Å; S107-L110 WeakPolarHBondContact OG-CB 3.47Å; S107-L110 PolarHBondContact OG-N 3.34Å; L110-D112 VanDerWaalsContact C-N 3.35Å; L110-D112 PolarHBondContact O-N 3.27Å; L110-E113 PolarHBondContact O-N 2.86Å; L110-L114 HydrophobicContact CD2-CD1 4.22Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.01Å
111T97.6Very high97.4Very high40 Ų4033.3 Ų33.325%0.24521%0.213CC..Hα-helixtrans-57.3-47.4175.7-54.70000111.4A52 S107 P108 E113 L114 V115A52-T111 HydrophobicContact CB-CG2 3.81Å; S107-T111 PolarHBondContact O-N 3.4Å; S107-T111 PolarHBondContact O-OG1 2.87Å; S107-T111 VanDerWaalsContact O-OG1 3.12Å; P108-T111 PolarHBondContact O-N 3.41Å; T111-E113 PolarHBondContact O-N 2.91Å; T111-L114 PolarHBondContact O-N 3.37Å; T111-V115 HydrophobicContact CG2-CG2 4.18Å; T111-V115 WeakPolarHBondContact O-CB 3.49Å; T111-V115 VanDerWaalsContact O-CG2 3.27Å; T111-V115 WeakPolarHBondContact O-CG2 3.19Å; T111-V115 PolarHBondContact O-N 3.02Å
112D98.3Very high97.4Very high3 Ų331.4 Ų31.42%0.01620%0.196CC..Hα-helixtrans-61.6-44178.8-81.31.4000112.4P108 L110 S116 F152 G153 T194 T195P108-D112 PolarHBondContact O-N 2.98Å; L110-D112 VanDerWaalsContact C-N 3.35Å; L110-D112 PolarHBondContact O-N 3.27Å; D112-S116 WeakPolarHBondContact O-CB 3.2Å; D112-S116 PolarHBondContact O-N 2.91Å; D112-S116 VanDerWaalsContact O-N 3.12Å; D112-F152 HydrophobicContact CB-CD1 4.18Å; D112-F152 WeakPolarHBondContact OD2-CA 3.33Å; D112-F152 WeakPolarHBondContact OD2-CB 3.21Å; D112-F152 WeakPolarHBondContact OD2-CD1 3.28Å; D112-G153 WeakPolarHBondContact OD1-CA 3.43Å; D112-G153 PolarHBondContact OD1-N 3.02Å; D112-G153 VanDerWaalsContact OD1-N 3.09Å; D112-G153 PolarHBondContact OD2-N 3.3Å; D112-T194 VanDerWaalsContact OD2-CA 3.24Å; D112-T194 WeakPolarHBondContact OD2-CA 3.4Å; D112-T195 HydrophobicContact CB-CG2 3.92Å; D112-T195 VanDerWaalsContact CG-N 3.25Å; D112-T195 WeakPolarHBondContact OD1-CB 3.36Å; D112-T195 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T195 PolarHBondContact OD1-OG1 2.93Å; D112-T195 PolarHBondContact OD2-N 3.25Å
113E98.4Very high97.5Very high59 Ų5931.3 Ų31.328%0.27620%0.196SC..Hα-helixtrans-62.2-48.1176.1-174.663.6-152.800111.2L98 A109 L110 T111 S116 H117 T193L98-E113 HydrophobicContact CD1-CG 3.8Å; L98-E113 HydrophobicContact CD2-CG 4.21Å; A109-E113 PolarHBondContact O-N 3.31Å; A109-E113 VanDerWaalsContact O-N 3.15Å; L110-E113 PolarHBondContact O-N 2.86Å; T111-E113 PolarHBondContact O-N 2.91Å; E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 3.41Å; E113-H117 PolarHBondContact O-CE1 3.3Å; E113-H117 VanDerWaalsContact O-CE1 3.32Å; E113-H117 PolarHBondContact O-ND1 3.39Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-T193 WeakPolarHBondContact OE2-CB 3.35Å; E113-T193 PolarHBondContact OE2-OG1 2.96Å
114L98.1Very high97.6Very high0 Ų030.1 Ų30.10%018%0.184CC..Hα-helixtrans-62.8-50.3-178-166.7162000110.8L48 L51 A52 L98 A99 L110 T111 S116 H117L48-L114 HydrophobicContact CB-CD2 3.55Å; L48-L114 HydrophobicContact CD2-CD2 3.54Å; L48-L114 HydrophobicContact CG-CD2 4.1Å; L48-L114 WeakPolarHBondContact O-CD2 3.33Å; L51-L114 HydrophobicContact CB-CD1 4.07Å; L51-L114 HydrophobicContact CB-CD2 4.17Å; A52-L114 HydrophobicContact CB-CD1 4.22Å; L98-L114 HydrophobicContact CB-CB 4.35Å; L98-L114 HydrophobicContact CB-CD1 4.02Å; L98-L114 HydrophobicContact CB-CG 4.19Å; L98-L114 HydrophobicContact CD1-CB 4.37Å; A99-L114 HydrophobicContact CB-CD1 4.4Å; L110-L114 HydrophobicContact CD2-CD1 4.22Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.01Å; T111-L114 PolarHBondContact O-N 3.37Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.45Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-ND1 3.05Å
115V97.6Very high97.7Very high4 Ų422.4 Ų22.42%0.02414%0.144CC..Hα-helixtrans-65.8-31.3-177.4-177.20000112T45 L48 V49 T111 H117 G118 F184T45-V115 HydrophobicContact CG2-CG1 3.75Å; L48-V115 HydrophobicContact CB-CB 4.44Å; L48-V115 HydrophobicContact CB-CG2 4.06Å; L48-V115 WeakPolarHBondContact CD1-O 3.47Å; V49-V115 HydrophobicContact CG2-CG2 3.75Å; T111-V115 HydrophobicContact CG2-CG2 4.18Å; T111-V115 WeakPolarHBondContact O-CB 3.49Å; T111-V115 VanDerWaalsContact O-CG2 3.27Å; T111-V115 WeakPolarHBondContact O-CG2 3.19Å; T111-V115 PolarHBondContact O-N 3.02Å; V115-H117 PolarHBondContact O-N 3.2Å; V115-G118 PolarHBondContact O-N 2.98Å; V115-G118 VanDerWaalsContact O-N 3.1Å; V115-F184 HydrophobicContact CB-CE1 4.37Å; V115-F184 HydrophobicContact CG1-CD1 4.41Å; V115-F184 HydrophobicContact CG1-CE1 3.57Å; V115-F184 HydrophobicContact CG1-CZ 4.37Å
116S98.1Very high97.9Very high0 Ų019.2 Ų19.20%012%0.117CC..Hα-helixtrans-58.1-24.1179.2770000114.8D112 E113 L114 G118 E119 L120D112-S116 WeakPolarHBondContact O-CB 3.2Å; D112-S116 PolarHBondContact O-N 2.91Å; D112-S116 VanDerWaalsContact O-N 3.12Å; E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 3.41Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.45Å; S116-G118 PolarHBondContact O-N 3Å; S116-E119 PolarHBondContact O-N 2.73Å; S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 2.9Å
117H98.6Very high98Very high3 Ų315.3 Ų15.31%0.0149%0.093CC..Hα-helixtrans-63.3-25.7-179.8-69.970.1000112.3N94 I95 L98 E113 L114 V115 L120 M121N94-H117 WeakPolarHBondContact CB-NE2 3.5Å; I95-H117 HydrophobicContact CD1-CB 3.68Å; I95-H117 HydrophobicContact CG1-CB 3.65Å; L98-H117 VanDerWaalsContact CD1-CE1 3.49Å; L98-H117 WeakPolarHBondContact CD1-CE1 3.42Å; E113-H117 PolarHBondContact O-CE1 3.3Å; E113-H117 VanDerWaalsContact O-CE1 3.32Å; E113-H117 PolarHBondContact O-ND1 3.39Å; E113-H117 IonicContact OE1-CE1 2.73Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-ND1 3.05Å; V115-H117 PolarHBondContact O-N 3.2Å; H117-L120 PolarHBondContact O-N 3.12Å; H117-M121 HydrophobicContact CB-CE 4.4Å; H117-M121 WeakPolarHBondContact O-CE 3.37Å; H117-M121 WeakPolarHBondContact O-CG 3.47Å; H117-M121 PolarHBondContact O-N 2.96Å
118G98.2Very high98.2Very high0 Ų013.9 Ų13.90%08%0.081CC..Hα-helixtrans-59.8-50.6177.900000112.5A40 V115 S116 S122A40-G118 VanDerWaalsContact CB-C 3.46Å; V115-G118 PolarHBondContact O-N 2.98Å; V115-G118 VanDerWaalsContact O-N 3.1Å; S116-G118 PolarHBondContact O-N 3Å; G118-S122 PolarHBondContact O-N 3.47Å; G118-S122 VanDerWaalsContact O-N 3.12Å; G118-S122 PolarHBondContact O-OG 2.9Å
119E98.3Very high98.3Very high4 Ų410 Ų102%0.0196%0.055CC..Hα-helixtrans-71.6-33.9177-72.273.1-164.400112.7A40 S116 S122 T123 Q182 G183A40-E119 PolarHBondContact N-OE1 2.72Å; S116-E119 PolarHBondContact O-N 2.73Å; E119-S122 PolarHBondContact O-OG 3.12Å; E119-T123 WeakPolarHBondContact O-CB 3.28Å; E119-T123 VanDerWaalsContact O-CG2 3.26Å; E119-T123 WeakPolarHBondContact O-CG2 3.31Å; E119-T123 PolarHBondContact O-N 3.32Å; E119-T123 VanDerWaalsContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.1Å; E119-Q182 HydrophobicContact CB-CB 3.76Å; E119-Q182 HydrophobicContact CB-CG 3.88Å; E119-G183 WeakPolarHBondContact CG-O 3.33Å
120L98.7Very high98.4Very high8 Ų88.8 Ų8.84%0.0425%0.046CC..Hα-helixtrans-59.8-49.8174.5-68.1173.1000110.6L91 S116 H117 T123 L124 W139 Q182 I185L91-L120 HydrophobicContact CD1-CB 4.09Å; L91-L120 HydrophobicContact CD2-CD1 4.37Å; S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 2.9Å; H117-L120 PolarHBondContact O-N 3.12Å; L120-T123 PolarHBondContact O-OG1 3.29Å; L120-T123 VanDerWaalsContact O-OG1 3.04Å; L120-L124 WeakPolarHBondContact O-CD1 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-L124 VanDerWaalsContact O-N 3.13Å; L120-W139 HydrophobicContact CD2-CH2 4.21Å; L120-W139 HydrophobicContact CD2-CZ2 3.8Å; L120-Q182 HydrophobicContact CD2-CG 4.03Å; L120-I185 HydrophobicContact CD2-CD1 4.36Å
121M98.7Very high98.4Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-65.9-45.6179.6-67.4-178.2-66.400112.2I67 Q71 I88 L91 L92 I95 H117 T123 L124 L125I67-M121 HydrophobicContact CG2-CE 4.09Å; Q71-M121 HydrophobicContact CG-CE 4.07Å; Q71-M121 HydrophobicContact CG-SD 3.73Å; I88-M121 HydrophobicContact CD1-CB 4.19Å; I88-M121 HydrophobicContact CD1-CG 4.2Å; L91-M121 HydrophobicContact CB-CG 4.08Å; L91-M121 HydrophobicContact CB-SD 4.35Å; L91-M121 HydrophobicContact CD1-CG 3.65Å; L92-M121 HydrophobicContact CD2-SD 4.12Å; L92-M121 HydrophobicContact CG-SD 4.36Å; I95-M121 HydrophobicContact CD1-CE 3.65Å; I95-M121 HydrophobicContact CD1-SD 4.15Å; H117-M121 HydrophobicContact CB-CE 4.4Å; H117-M121 WeakPolarHBondContact O-CE 3.37Å; H117-M121 WeakPolarHBondContact O-CG 3.47Å; H117-M121 PolarHBondContact O-N 2.96Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 2.91Å; M121-L124 PolarHBondContact O-N 2.97Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.88Å
122S98.6Very high98.4Very high0 Ų011.9 Ų11.90%05%0.052CC..Hα-helixtrans-62.9-39.3-177.869.80000112.3S39 G118 E119 F126S39-S122 WeakPolarHBondContact O-CB 3.27Å; S39-S122 PolarHBondContact O-OG 3.38Å; G118-S122 PolarHBondContact O-N 3.47Å; G118-S122 VanDerWaalsContact O-N 3.12Å; G118-S122 PolarHBondContact O-OG 2.9Å; E119-S122 PolarHBondContact O-OG 3.12Å; S122-F126 VanDerWaalsContact O-CB 3.28Å; S122-F126 WeakPolarHBondContact O-CB 3.49Å; S122-F126 PolarHBondContact O-N 3Å
123T98.8Very high98.3Very high0 Ų014.8 Ų14.80%06%0.063CC..Hα-helixtrans-71.7-37.1178540000113.5L38 E119 L120 M121 F126 V127 W139 I180 T181 Q182L38-T123 HydrophobicContact CB-CG2 3.75Å; L38-T123 HydrophobicContact CD1-CG2 3.96Å; L38-T123 HydrophobicContact CG-CG2 4Å; E119-T123 WeakPolarHBondContact O-CB 3.28Å; E119-T123 VanDerWaalsContact O-CG2 3.26Å; E119-T123 WeakPolarHBondContact O-CG2 3.31Å; E119-T123 PolarHBondContact O-N 3.32Å; E119-T123 VanDerWaalsContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.1Å; L120-T123 PolarHBondContact O-OG1 3.29Å; L120-T123 VanDerWaalsContact O-OG1 3.04Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 2.91Å; T123-F126 PolarHBondContact O-N 3.34Å; T123-V127 VanDerWaalsContact O-CG2 3.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.22Å; T123-W139 PolarHBondContact OG1-NE1 2.66Å; T123-I180 HydrophobicContact CG2-CG2 4.2Å; T123-T181 VanDerWaalsContact CG2-O 3.3Å; T123-T181 WeakPolarHBondContact CG2-O 3.35Å; T123-Q182 HydrophobicContact CG2-CG 4.03Å; T123-Q182 PolarHBondContact OG1-NE2 3.05Å
124L98.7Very high98.2Very high15 Ų1519.4 Ų19.48%0.0799%0.089CC..Hα-helixtrans-63.7-47.8175-71.9166.8000111I84 E87 I88 L91 L120 M121 F126 V127 E128 W139I84-L124 HydrophobicContact CD1-CB 4.28Å; I84-L124 HydrophobicContact CD1-CD2 4.18Å; I84-L124 HydrophobicContact CG1-CB 4.26Å; E87-L124 HydrophobicContact CG-CD1 3.73Å; I88-L124 HydrophobicContact CD1-CB 4.36Å; I88-L124 HydrophobicContact CD1-CD1 4.49Å; L91-L124 HydrophobicContact CD1-CD1 3.58Å; L120-L124 WeakPolarHBondContact O-CD1 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-L124 VanDerWaalsContact O-N 3.13Å; M121-L124 PolarHBondContact O-N 2.97Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.4Å; L124-V127 PolarHBondContact O-N 3.14Å; L124-E128 PolarHBondContact O-N 3.11Å; L124-W139 HydrophobicContact CD2-CD2 3.84Å; L124-W139 HydrophobicContact CD2-CG 3.88Å; L124-W139 HydrophobicContact CD2-CZ2 4.24Å; L124-W139 HydrophobicContact CG-CZ2 4.42Å
125L98.7Very high98.1Very high0 Ų020.8 Ų20.80%010%0.098CC..Hα-helixtrans-61.5-42.3177.1-69.3167.5000112M20 I74 L75 L78 I84 I88 M121 V127 E128 I129M20-L125 HydrophobicContact CE-CB 4.22Å; M20-L125 HydrophobicContact SD-CB 4.24Å; I74-L125 HydrophobicContact CB-CD1 4.05Å; I74-L125 HydrophobicContact CD1-CD1 4.21Å; I74-L125 HydrophobicContact CG2-CB 4.19Å; I74-L125 HydrophobicContact CG2-CD1 4.01Å; I74-L125 HydrophobicContact CG2-CD2 4.32Å; I74-L125 HydrophobicContact CG2-CG 4.41Å; L75-L125 HydrophobicContact CB-CD2 4.15Å; L75-L125 HydrophobicContact CD1-CD2 4.11Å; L78-L125 HydrophobicContact CD1-CD2 4.35Å; I84-L125 HydrophobicContact CG2-CD2 4.48Å; I88-L125 HydrophobicContact CD1-CD1 4.49Å; I88-L125 HydrophobicContact CD1-CD2 4.24Å; I88-L125 HydrophobicContact CD1-CG 4.03Å; I88-L125 HydrophobicContact CG1-CD2 4.24Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.88Å; L125-V127 PolarHBondContact O-N 3.09Å; L125-E128 PolarHBondContact O-N 3.33Å; L125-I129 PolarHBondContact O-N 2.95Å; L125-I129 VanDerWaalsContact O-N 3.13Å
126F98.7Very high98Very high0 Ų026.9 Ų26.90%013%0.126CC..Hα-helixtrans-66.4-36.3-179.6-166.8-97.9000113.2M20 A24 V27 V36 L38 S122 T123 L124 E128 I129 L130 I180M20-F126 HydrophobicContact CB-CD2 3.88Å; M20-F126 HydrophobicContact CB-CE2 4.22Å; M20-F126 HydrophobicContact CG-CD2 3.99Å; M20-F126 VanDerWaalsContact O-CE2 3.28Å; M20-F126 WeakPolarHBondContact O-CE2 3.33Å; M20-F126 HydrophobicContact SD-CD2 4.42Å; A24-F126 HydrophobicContact CB-CE2 4.34Å; A24-F126 HydrophobicContact CB-CZ 4.12Å; V27-F126 HydrophobicContact CG2-CZ 4.45Å; V36-F126 HydrophobicContact CG1-CE1 4.2Å; L38-F126 HydrophobicContact CD1-CB 3.39Å; L38-F126 HydrophobicContact CD1-CD1 3.82Å; L38-F126 HydrophobicContact CD1-CD2 4.04Å; L38-F126 HydrophobicContact CD1-CG 3.49Å; L38-F126 VanDerWaalsContact CD1-CG 3.49Å; S122-F126 VanDerWaalsContact O-CB 3.28Å; S122-F126 WeakPolarHBondContact O-CB 3.49Å; S122-F126 PolarHBondContact O-N 3Å; T123-F126 PolarHBondContact O-N 3.34Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.4Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.37Å; F126-I129 PolarHBondContact O-N 3.07Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.58Å; F126-L130 HydrophobicContact CE1-CG 4.11Å; F126-L130 PolarHBondContact O-N 3.37Å; F126-L130 VanDerWaalsContact O-N 3.12Å; F126-I180 HydrophobicContact CD1-CD1 4.08Å; F126-I180 HydrophobicContact CD1-CG1 4.27Å; F126-I180 HydrophobicContact CD1-CG2 3.99Å; F126-I180 HydrophobicContact CE1-CD1 4.1Å
127V98.5Very high98Very high2 Ų227.1 Ų27.11%0.01213%0.128CC..Hα-helixtrans-61.2-41.4174.5165.90000111.1T123 L124 L125 L130 R131 W139 I180T123-V127 VanDerWaalsContact O-CG2 3.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.22Å; L124-V127 PolarHBondContact O-N 3.14Å; L125-V127 PolarHBondContact O-N 3.09Å; V127-L130 PolarHBondContact O-N 3.14Å; V127-R131 HydrophobicContact CG1-CG 4.38Å; V127-R131 VanDerWaalsContact CG1-CZ 3.49Å; V127-R131 WeakPolarHBondContact O-CG 3.41Å; V127-R131 PolarHBondContact O-N 2.62Å; V127-W139 HydrophobicContact CG1-CB 4.37Å; V127-W139 HydrophobicContact CG2-CB 3.88Å; V127-W139 HydrophobicContact CG2-CG 4.35Å; V127-I180 HydrophobicContact CG2-CB 3.43Å; V127-I180 VanDerWaalsContact CG2-CB 3.43Å; V127-I180 HydrophobicContact CG2-CG1 3.43Å; V127-I180 VanDerWaalsContact CG2-CG1 3.43Å; V127-I180 HydrophobicContact CG2-CG2 3.98Å
128E98.5Very high97.9Very high18 Ų1828.7 Ų28.78%0.08414%0.135CC..Hα-helixtrans-67.9-36.9177.4-63.5-47.9130.300112.4L78 V83 I84 L124 L125 F126 L130 R131 E132L78-E128 HydrophobicContact CD1-CB 4.04Å; L78-E128 HydrophobicContact CD2-CB 4.4Å; V83-E128 HydrophobicContact CG2-CG 4.04Å; V83-E128 VanDerWaalsContact CG2-OE2 3.3Å; V83-E128 WeakPolarHBondContact CG2-OE2 3.43Å; I84-E128 HydrophobicContact CB-CG 3.88Å; I84-E128 HydrophobicContact CG1-CG 4.17Å; I84-E128 HydrophobicContact CG2-CG 4.01Å; L124-E128 PolarHBondContact O-N 3.11Å; L125-E128 PolarHBondContact O-N 3.33Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.37Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.21Å; E128-R131 PolarHBondContact O-N 3.27Å; E128-R131 IonicContact OE1-CZ 3.32Å; E128-R131 IonicContact OE1-NE 3.03Å; E128-R131 IonicContact OE1-NH1 2.69Å; E128-R131 PolarHBondContact OE1-NH1 2.75Å; E128-E132 WeakPolarHBondContact O-CB 3.19Å; E128-E132 WeakPolarHBondContact O-CG 3.25Å; E128-E132 PolarHBondContact O-N 3.12Å
129I98.5Very high98Very high2 Ų232 Ų321%0.0115%0.148CC..Hα-helixtrans-58.1-42.2172.4-69.9172000111.3F17 M20 A24 L78 L125 F126 R133F17-I129 HydrophobicContact CD2-CD1 4.22Å; F17-I129 HydrophobicContact CE2-CD1 4.5Å; F17-I129 HydrophobicContact CE2-CG1 4.37Å; M20-I129 HydrophobicContact CB-CD1 3.38Å; M20-I129 HydrophobicContact CG-CD1 4.12Å; M20-I129 HydrophobicContact SD-CD1 3.61Å; A24-I129 HydrophobicContact CB-CG2 4.3Å; L78-I129 HydrophobicContact CD2-CD1 4.45Å; L78-I129 HydrophobicContact CD2-CG1 3.54Å; L125-I129 PolarHBondContact O-N 2.95Å; L125-I129 VanDerWaalsContact O-N 3.13Å; F126-I129 PolarHBondContact O-N 3.07Å; I129-R133 WeakPolarHBondContact O-CD 3.29Å; I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 2.68Å
130L98.5Very high98Very high0 Ų032 Ų320%015%0.148CC..Hα-helixtrans-68.7-43.5177-72.8167.8000112.2A24 L28 F126 V127 E128 E132 R133 V135 A137 L178 I180A24-L130 HydrophobicContact CB-CD2 3.89Å; L28-L130 HydrophobicContact CD1-CD2 4.36Å; L28-L130 HydrophobicContact CD2-CD2 4.35Å; L28-L130 HydrophobicContact CG-CD2 4.36Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.58Å; F126-L130 HydrophobicContact CE1-CG 4.11Å; F126-L130 PolarHBondContact O-N 3.37Å; F126-L130 VanDerWaalsContact O-N 3.12Å; V127-L130 PolarHBondContact O-N 3.14Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.21Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.06Å; L130-R133 CarbonylContact O-C 3.57Å; L130-R133 WeakPolarHBondContact O-CA 3.39Å; L130-R133 WeakPolarHBondContact O-CB 3.3Å; L130-R133 PolarHBondContact O-N 2.72Å; L130-V135 HydrophobicContact CB-CB 4.22Å; L130-V135 HydrophobicContact CD2-CG2 4.45Å; L130-V135 VanDerWaalsContact O-CB 3.3Å; L130-V135 WeakPolarHBondContact O-CB 3.37Å; L130-V135 PolarHBondContact O-N 2.86Å; L130-V135 VanDerWaalsContact O-N 3.14Å; L130-A137 HydrophobicContact CB-CB 3.75Å; L130-A137 HydrophobicContact CD1-CB 3.94Å; L130-L178 HydrophobicContact CD1-CD2 3.66Å; L130-L178 HydrophobicContact CD2-CD2 4.22Å; L130-I180 HydrophobicContact CD1-CD1 3.44Å; L130-I180 VanDerWaalsContact CD1-CD1 3.44Å; L130-I180 HydrophobicContact CD1-CG1 3.81Å
131R97.7Very high98Very high114 Ų11432.6 Ų32.643%0.4315%0.151SC..Hα-helixtrans-62.4-39.2178.8-75.7171.5175.1176.2-4.6112.5V127 E128 R133 D134 A137V127-R131 HydrophobicContact CG1-CG 4.38Å; V127-R131 VanDerWaalsContact CG1-CZ 3.49Å; V127-R131 WeakPolarHBondContact O-CG 3.41Å; V127-R131 PolarHBondContact O-N 2.62Å; E128-R131 PolarHBondContact O-N 3.27Å; E128-R131 IonicContact OE1-CZ 3.32Å; E128-R131 IonicContact OE1-NE 3.03Å; E128-R131 IonicContact OE1-NH1 2.69Å; E128-R131 PolarHBondContact OE1-NH1 2.75Å; R131-R133 PolarHBondContact O-N 2.82Å; R131-D134 PolarHBondContact O-N 3.44Å; R131-A137 PolarHBondContact NE-O 3.03Å; R131-A137 PolarHBondContact NH2-O 3.12Å
132E97.4Very high98Very high17 Ų1732.6 Ų32.68%0.07915%0.151CC..Hα-helixtrans-58.8-34.4173.4-80.8-170.6-174.100111.8L78 R79 Y80 E128 L130 D134L78-E132 WeakPolarHBondContact CB-OE1 3.43Å; R79-E132 WeakPolarHBondContact CA-OE1 3.36Å; R79-E132 HydrophobicContact CB-CG 4.38Å; R79-E132 WeakPolarHBondContact CB-OE1 3.32Å; R79-E132 WeakPolarHBondContact CB-OE2 3.5Å; R79-E132 WeakPolarHBondContact CG-OE2 3.26Å; R79-E132 PolarHBondContact N-OE1 3.48Å; R79-E132 PolarHBondContact N-OE2 3.07Å; R79-E132 VanDerWaalsContact N-OE2 3.07Å; R79-E132 IonicContact NE-OE2 2.79Å; R79-E132 PolarHBondContact NE-OE2 2.94Å; R79-E132 PolarHBondContact NH1-O 3.02Å; R79-E132 PolarHBondContact NH2-O 3.13Å; Y80-E132 HydrophobicContact CD2-CG 4.07Å; Y80-E132 PolarHBondContact N-OE1 3.23Å; E128-E132 WeakPolarHBondContact O-CB 3.19Å; E128-E132 WeakPolarHBondContact O-CG 3.25Å; E128-E132 PolarHBondContact O-N 3.12Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.06Å; E132-D134 PolarHBondContact O-N 3.28Å
133R96.3Very high98Very high65 Ų6534.9 Ų34.925%0.24516%0.159CC..THydrogen-bonded Turntrans-81.918.9176.3-62.7164.1166.9-131.5-1.5113.2N21 D25 I129 L130 R131 V135N21-R133 VanDerWaalsContact CB-NH2 3.31Å; N21-R133 PolarHBondContact O-NH2 2.84Å; N21-R133 VanDerWaalsContact O-NH2 3.11Å; N21-R133 PolarHBondContact OD1-NE 3.33Å; N21-R133 PolarHBondContact OD1-NH2 3.04Å; D25-R133 IonicContact OD1-CZ 2.94Å; D25-R133 IonicContact OD1-NH1 3.23Å; D25-R133 PolarHBondContact OD1-NH1 3.38Å; D25-R133 IonicContact OD1-NH2 3.79Å; D25-R133 PolarHBondContact OD1-NH2 3.42Å; I129-R133 WeakPolarHBondContact O-CD 3.29Å; I129-R133 WeakPolarHBondContact O-CG 3.4Å; I129-R133 PolarHBondContact O-N 2.68Å; L130-R133 CarbonylContact O-C 3.57Å; L130-R133 WeakPolarHBondContact O-CA 3.39Å; L130-R133 WeakPolarHBondContact O-CB 3.3Å; L130-R133 PolarHBondContact O-N 2.72Å; R131-R133 PolarHBondContact O-N 2.82Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 2.77Å
134D96.3Very high98Very high156 Ų15639.2 Ų39.283%0.83418%0.178SC*.THydrogen-bonded Turntrans59.425.8-179.4-57.6-64.1000113.7R131 E132R131-D134 PolarHBondContact O-N 3.44Å; E132-D134 PolarHBondContact O-N 3.28Å
135V97.1Very high97.9Very high29 Ų2938.5 Ų38.518%0.17617%0.174CC..  trans-90.6129.4176.3-177.30000109.4L28 L130 R133 A137 L178L28-V135 HydrophobicContact CD1-CG2 3.83Å; L28-V135 HydrophobicContact CD2-CB 4.37Å; L28-V135 HydrophobicContact CD2-CG1 3.93Å; L28-V135 HydrophobicContact CD2-CG2 3.51Å; L28-V135 HydrophobicContact CG-CG2 4.31Å; L130-V135 HydrophobicContact CB-CB 4.22Å; L130-V135 HydrophobicContact CD2-CG2 4.45Å; L130-V135 VanDerWaalsContact O-CB 3.3Å; L130-V135 WeakPolarHBondContact O-CB 3.37Å; L130-V135 PolarHBondContact O-N 2.86Å; L130-V135 VanDerWaalsContact O-N 3.14Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 2.77Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.89Å; V135-L178 HydrophobicContact CG1-CD2 4.12Å
136Q95.3Very high97.9Very high131 Ų13138.5 Ų38.561%0.61217%0.174SC*.  trans-71.584.4171.1-170.5-177-29.200110.3E176 L178Q136-E176 PolarHBondContact NE2-O 3.34Å; Q136-L178 PolarHBondContact O-N 2.97Å; Q136-L178 VanDerWaalsContact O-N 3.16Å
137A97.3Very high97.9Very high6 Ų642.1 Ų42.15%0.0519%0.188CC..EExtended strand (participates in β ladder)trans-105.5132.8178.300000111.8L130 R131 V135 L178L130-A137 HydrophobicContact CB-CB 3.75Å; L130-A137 HydrophobicContact CD1-CB 3.94Å; R131-A137 PolarHBondContact NE-O 3.03Å; R131-A137 PolarHBondContact NH2-O 3.12Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.89Å; A137-L178 CarbonylContact C-O 3.55Å; A137-L178 WeakPolarHBondContact CA-O 3.49Å
138Q98.1Very high97.9Very high35 Ų3542.2 Ų42.216%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-108.7131.4176.3-53.3-168.821.300110.1E176 L178 V179 I180Q138-E176 PolarHBondContact NE2-OE2 3.17Å; Q138-L178 PolarHBondContact N-O 2.96Å; Q138-V179 HydrophobicContact CB-CG2 4.43Å; Q138-V179 WeakPolarHBondContact O-CA 3.43Å; Q138-I180 PolarHBondContact O-N 3.31Å
139W98.4Very high97.9Very high71 Ų7143.9 Ų43.927%0.26920%0.198SC..EExtended strand (participates in β ladder)trans-82.6128.8167.4-17286.8000109.6L120 T123 L124 V127 D141 Q182L120-W139 HydrophobicContact CD2-CH2 4.21Å; L120-W139 HydrophobicContact CD2-CZ2 3.8Å; T123-W139 PolarHBondContact OG1-NE1 2.66Å; L124-W139 HydrophobicContact CD2-CD2 3.84Å; L124-W139 HydrophobicContact CD2-CG 3.88Å; L124-W139 HydrophobicContact CD2-CZ2 4.24Å; L124-W139 HydrophobicContact CG-CZ2 4.42Å; V127-W139 HydrophobicContact CG1-CB 4.37Å; V127-W139 HydrophobicContact CG2-CB 3.88Å; V127-W139 HydrophobicContact CG2-CG 4.35Å; W139-D141 HydrophobicContact CH2-CB 3.66Å; W139-D141 HydrophobicContact CZ3-CB 3.76Å; W139-Q182 VanDerWaalsContact CZ2-NE2 3.26Å; W139-Q182 VanDerWaalsContact NE1-NE2 3.14Å
140F98.7Very high97.8Very high3 Ų348.5 Ų48.51%0.01322%0.223CC..EExtended strand (participates in β ladder)trans-125.6131.4177.2-174.2-97.1000110.5V142 K144 V145 Q169 L170 V179 I180 T181 Q182F140-V142 PolarHBondContact O-N 3.11Å; F140-K144 HydrophobicContact CE1-CB 4.4Å; F140-K144 HydrophobicContact CE2-CD 4.22Å; F140-K144 HydrophobicContact CZ-CB 3.9Å; F140-K144 HydrophobicContact CZ-CD 4.33Å; F140-V145 HydrophobicContact CE1-CG1 3.87Å; F140-V145 HydrophobicContact CE1-CG2 4.01Å; F140-V145 HydrophobicContact CZ-CG1 3.69Å; F140-Q169 HydrophobicContact CE2-CB 4.5Å; F140-Q169 HydrophobicContact CZ-CB 4.36Å; F140-L170 HydrophobicContact CD1-CD1 3.87Å; F140-L170 HydrophobicContact CD2-CD1 4.48Å; F140-L170 HydrophobicContact CE1-CD1 4.12Å; F140-L170 HydrophobicContact CG-CD1 4.05Å; F140-V179 HydrophobicContact CB-CG1 3.47Å; F140-V179 VanDerWaalsContact CB-CG1 3.47Å; F140-V179 HydrophobicContact CG-CG1 4.31Å; F140-I180 PolarHBondContact N-O 2.81Å; F140-T181 PolarHBondContact O-OG1 3.5Å; F140-Q182 PolarHBondContact O-NE2 3.39Å; F140-Q182 PolarHBondContact O-OE1 3.5Å
141D98.7Very high97.7Very high21 Ų2153.1 Ų53.111%0.11224%0.241CC..  trans-81110.8174.2-168.5-29.2000109.8W139 R143 K144W139-D141 HydrophobicContact CH2-CB 3.66Å; W139-D141 HydrophobicContact CZ3-CB 3.76Å; D141-R143 PolarHBondContact O-N 2.98Å; D141-R143 VanDerWaalsContact O-N 3.13Å; D141-R143 VanDerWaalsContact OD1-CB 3.23Å; D141-R143 WeakPolarHBondContact OD1-CB 3.41Å; D141-R143 WeakPolarHBondContact OD1-CG 3.37Å; D141-R143 IonicContact OD1-CZ 3.78Å; D141-R143 PolarHBondContact OD1-N 2.96Å; D141-R143 IonicContact OD1-NE 2.92Å; D141-R143 PolarHBondContact OD1-NE 2.82Å; D141-R143 IonicContact OD1-NH2 3.74Å; D141-R143 IonicContact OD2-CZ 3.42Å; D141-R143 IonicContact OD2-NE 3.26Å; D141-R143 PolarHBondContact OD2-NE 2.67Å; D141-R143 IonicContact OD2-NH2 2.74Å; D141-R143 PolarHBondContact OD2-NH2 3.28Å; D141-K144 HydrophobicContact CB-CD 4.3Å; D141-K144 HydrophobicContact CB-CG 4.32Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 WeakPolarHBondContact O-CG 3.37Å; D141-K144 PolarHBondContact O-N 3Å; D141-K144 VanDerWaalsContact O-N 3.13Å
142V98.7Very high97.6Very high0 Ų049.6 Ų49.60%023%0.228CC..G310 helixtrans-59.5-27.1-176.378.20000112.6F140 K144 V145 M146 T181 Q182 I185 T204 L208F140-V142 PolarHBondContact O-N 3.11Å; V142-K144 PolarHBondContact O-N 3.41Å; V142-V145 HydrophobicContact CG2-CG2 4.45Å; V142-V145 WeakPolarHBondContact O-CG2 3.28Å; V142-V145 PolarHBondContact O-N 3.27Å; V142-M146 HydrophobicContact CG2-CB 4.07Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 PolarHBondContact O-N 3.05Å; V142-T181 VanDerWaalsContact CB-OG1 3.28Å; V142-T181 WeakPolarHBondContact CB-OG1 3.32Å; V142-Q182 HydrophobicContact CB-CB 4.49Å; V142-Q182 HydrophobicContact CG1-CB 3.96Å; V142-I185 HydrophobicContact CG1-CD1 4.07Å; V142-I185 HydrophobicContact CG1-CG1 3.41Å; V142-I185 VanDerWaalsContact CG1-CG1 3.41Å; V142-I185 WeakPolarHBondContact CG1-O 3.33Å; V142-T204 HydrophobicContact CG2-CG2 4.15Å; V142-L208 HydrophobicContact CG2-CD1 4.16Å
143R98.6Very high97.3Very high47 Ų4750.4 Ų50.418%0.17724%0.242CC..G310 helixtrans-63.7-14.7-179.3-63.1176-68.8-172.5-2.4113.1D141 V145 I185 T193D141-R143 PolarHBondContact O-N 2.98Å; D141-R143 VanDerWaalsContact O-N 3.13Å; D141-R143 VanDerWaalsContact OD1-CB 3.23Å; D141-R143 WeakPolarHBondContact OD1-CB 3.41Å; D141-R143 WeakPolarHBondContact OD1-CG 3.37Å; D141-R143 IonicContact OD1-CZ 3.78Å; D141-R143 PolarHBondContact OD1-N 2.96Å; D141-R143 IonicContact OD1-NE 2.92Å; D141-R143 PolarHBondContact OD1-NE 2.82Å; D141-R143 IonicContact OD1-NH2 3.74Å; D141-R143 IonicContact OD2-CZ 3.42Å; D141-R143 IonicContact OD2-NE 3.26Å; D141-R143 PolarHBondContact OD2-NE 2.67Å; D141-R143 IonicContact OD2-NH2 2.74Å; D141-R143 PolarHBondContact OD2-NH2 3.28Å; R143-V145 VanDerWaalsContact C-N 3.32Å; R143-I185 HydrophobicContact CG-CD1 4.18Å; R143-I185 HydrophobicContact CG-CG1 4.23Å; R143-T193 PolarHBondContact NH1-OG1 2.67Å
144K98.4Very high97.1Very high91 Ų9154.3 Ų54.340%0.39626%0.256SS..G310 helixtrans-71.7-25.2173.6-66178.3180176.20113.1F140 D141 V142F140-K144 HydrophobicContact CE1-CB 4.4Å; F140-K144 HydrophobicContact CE2-CD 4.22Å; F140-K144 HydrophobicContact CZ-CB 3.9Å; F140-K144 HydrophobicContact CZ-CD 4.33Å; D141-K144 HydrophobicContact CB-CD 4.3Å; D141-K144 HydrophobicContact CB-CG 4.32Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 WeakPolarHBondContact O-CG 3.37Å; D141-K144 PolarHBondContact O-N 3Å; D141-K144 VanDerWaalsContact O-N 3.13Å; V142-K144 PolarHBondContact O-N 3.41Å
145V98.6Very high97.1Very high0 Ų047 Ų470%022%0.218CC..THydrogen-bonded Turntrans-119.1-32.9-178.2-57.10000112.8F140 V142 R143 R147 L162 L165 Q169 L208F140-V145 HydrophobicContact CE1-CG1 3.87Å; F140-V145 HydrophobicContact CE1-CG2 4.01Å; F140-V145 HydrophobicContact CZ-CG1 3.69Å; V142-V145 HydrophobicContact CG2-CG2 4.45Å; V142-V145 WeakPolarHBondContact O-CG2 3.28Å; V142-V145 PolarHBondContact O-N 3.27Å; R143-V145 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 2.71Å; V145-L162 HydrophobicContact CB-CD1 3.99Å; V145-L162 HydrophobicContact CG2-CD1 3.84Å; V145-L162 WeakPolarHBondContact O-CD1 3.28Å; V145-L165 HydrophobicContact CB-CB 3.99Å; V145-L165 HydrophobicContact CG1-CB 3.94Å; V145-Q169 HydrophobicContact CG1-CB 4.28Å; V145-L208 HydrophobicContact CG2-CD2 4.1Å
146M98.6Very high97.1Very high0 Ų050.3 Ų50.30%023%0.231CC..  trans-81.779.4-179-169.965.870.800111V142 T148 P157 L162 G186 S187 T204 L207 L208V142-M146 HydrophobicContact CG2-CB 4.07Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 PolarHBondContact O-N 3.05Å; M146-T148 HydrophobicContact CG-CG2 4.45Å; M146-P157 HydrophobicContact SD-CB 3.93Å; M146-L162 HydrophobicContact CE-CD1 4.27Å; M146-L162 HydrophobicContact CE-CD2 4Å; M146-L162 HydrophobicContact SD-CD1 4.39Å; M146-L162 HydrophobicContact SD-CD2 4.07Å; M146-G186 CarbonylContact O-C 3.47Å; M146-G186 WeakPolarHBondContact O-CA 3.23Å; M146-S187 PolarHBondContact O-N 3.14Å; M146-T204 HydrophobicContact CE-CG2 3.97Å; M146-L207 HydrophobicContact CE-CB 3.97Å; M146-L207 HydrophobicContact CE-CD1 3.86Å; M146-L207 HydrophobicContact SD-CD1 3.91Å; M146-L208 HydrophobicContact CE-CG 4.34Å
147R98.6Very high97.2Very high76 Ų7645 Ų4529%0.28721%0.208SC..EExtended strand (participates in β ladder)trans-79.2139.9173.7-63.1-60178.5-166.3-4.2111.1V145 P157 D158 A161 L165 S187V145-R147 PolarHBondContact O-N 2.71Å; R147-P157 CarbonylContact O-C 3.55Å; R147-P157 WeakPolarHBondContact O-CA 3.41Å; R147-D158 HydrophobicContact CB-CB 4.37Å; R147-D158 PolarHBondContact O-N 2.97Å; R147-A161 HydrophobicContact CB-CB 4.24Å; R147-A161 HydrophobicContact CG-CB 4.38Å; R147-L165 HydrophobicContact CG-CD1 3.7Å; R147-S187 WeakPolarHBondContact CA-O 3.37Å; R147-S187 PolarHBondContact NH1-OG 2.72Å
148T98.4Very high97.2Very high4 Ų448.5 Ų48.53%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-138.1167.4-175.860.20000111.7M146 A155 E156 S187 E188 T194 L196M146-T148 HydrophobicContact CG-CG2 4.45Å; T148-A155 HydrophobicContact CG2-CB 4.16Å; T148-E156 CarbonylContact C-O 3.38Å; T148-E156 WeakPolarHBondContact CA-O 3.47Å; T148-S187 PolarHBondContact N-O 3.33Å; T148-S187 VanDerWaalsContact OG1-C 3.32Å; T148-S187 PolarHBondContact OG1-O 3.29Å; T148-E188 WeakPolarHBondContact O-CA 3.49Å; T148-E188 PolarHBondContact OG1-N 2.95Å; T148-T194 WeakPolarHBondContact OG1-CG2 3.23Å; T148-T194 PolarHBondContact OG1-OG1 2.83Å; T148-L196 HydrophobicContact CG2-CD2 3.91Å
149N98Very high97.2Very high53 Ų5349.4 Ų49.428%0.28323%0.231SC..  trans-73.9175.6163.370.19.7000111.7R151 A155 E156N149-R151 VanDerWaalsContact C-N 3.25Å; N149-R151 PolarHBondContact O-N 2.98Å; N149-R151 VanDerWaalsContact OD1-CB 3.25Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 3.45Å; N149-A155 WeakPolarHBondContact OD1-CA 3.39Å; N149-E156 PolarHBondContact N-O 3.28Å; N149-E156 PolarHBondContact OD1-N 2.97Å
150D96.7Very high97.1Very high99 Ų9949.5 Ų49.553%0.52925%0.247SC..SBendtrans-89.122.8-179.166-13.5000113.7F152 E188D150-F152 HydrophobicContact CB-CE2 4.1Å; D150-F152 HydrophobicContact CB-CZ 4.48Å; D150-F152 WeakPolarHBondContact O-CD2 3.49Å; D150-F152 VanDerWaalsContact O-CE2 3.31Å; D150-F152 WeakPolarHBondContact O-CE2 3.28Å; D150-F152 PolarHBondContact O-N 3.08Å; D150-E188 HydrophobicContact CB-CB 4.36Å; D150-E188 HydrophobicContact CB-CG 4.45Å
151R96.1Very high97.1Very high98 Ų9850.3 Ų50.337%0.3725%0.254SS..  trans-81.367.5176.5-165.2-172.5-167.6-169-0.3110.6N149 R154 A155 E156N149-R151 VanDerWaalsContact C-N 3.25Å; N149-R151 PolarHBondContact O-N 2.98Å; N149-R151 VanDerWaalsContact OD1-CB 3.25Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 3.45Å; R151-R154 HydrophobicContact CG-CG 3.99Å; R151-R154 CarbonylContact O-C 3.49Å; R151-R154 PolarHBondContact O-N 3.45Å; R151-R154 VanDerWaalsContact O-N 3.14Å; R151-A155 VanDerWaalsContact O-CA 3.25Å; R151-A155 WeakPolarHBondContact O-CA 3.34Å; R151-A155 PolarHBondContact O-N 3.3Å; R151-E156 IonicContact CZ-OE1 3.17Å; R151-E156 IonicContact NH1-OE1 2.72Å; R151-E156 PolarHBondContact NH1-OE1 2.67Å
152F95.4Very high97.1Very high39 Ų3949.3 Ų49.317%0.17125%0.249CC..THydrogen-bonded Turntrans-47.3143.2-178.6-60.9-79000113.4P108 A109 D112 D150 R154 E188 R192 T193 T194P108-F152 HydrophobicContact CB-CB 3.58Å; P108-F152 HydrophobicContact CB-CG 4.48Å; A109-F152 VanDerWaalsContact CA-CD1 3.49Å; A109-F152 HydrophobicContact CB-CD1 3.77Å; A109-F152 HydrophobicContact CB-CD2 3.96Å; A109-F152 HydrophobicContact CB-CE1 3.66Å; A109-F152 HydrophobicContact CB-CE2 3.88Å; A109-F152 HydrophobicContact CB-CG 3.94Å; A109-F152 HydrophobicContact CB-CZ 3.73Å; D112-F152 HydrophobicContact CB-CD1 4.18Å; D112-F152 WeakPolarHBondContact OD2-CA 3.33Å; D112-F152 WeakPolarHBondContact OD2-CB 3.21Å; D112-F152 WeakPolarHBondContact OD2-CD1 3.28Å; D150-F152 HydrophobicContact CB-CE2 4.1Å; D150-F152 HydrophobicContact CB-CZ 4.48Å; D150-F152 WeakPolarHBondContact O-CD2 3.49Å; D150-F152 VanDerWaalsContact O-CE2 3.31Å; D150-F152 WeakPolarHBondContact O-CE2 3.28Å; D150-F152 PolarHBondContact O-N 3.08Å; F152-R154 PolarHBondContact O-N 3.37Å; F152-E188 HydrophobicContact CE1-CG 4.48Å; F152-E188 HydrophobicContact CZ-CG 4.19Å; F152-R192 HydrophobicContact CE1-CB 4.3Å; F152-R192 HydrophobicContact CZ-CB 4.41Å; F152-R192 VanDerWaalsContact CZ-CZ 3.48Å; F152-T193 WeakPolarHBondContact CE1-O 3.43Å; F152-T194 HydrophobicContact CD1-CG2 3.95Å; F152-T194 HydrophobicContact CE1-CG2 3.83Å
153G91.6Very high97.1Very high35 Ų3551.3 Ų51.336%0.36127%0.266SS..THydrogen-bonded Turntrans81.6-19.5-174.200000115.2D112 T195 G197D112-G153 WeakPolarHBondContact OD1-CA 3.43Å; D112-G153 PolarHBondContact OD1-N 3.02Å; D112-G153 VanDerWaalsContact OD1-N 3.09Å; D112-G153 PolarHBondContact OD2-N 3.3Å; G153-T195 VanDerWaalsContact CA-OG1 3.3Å; G153-T195 WeakPolarHBondContact CA-OG1 3.46Å; G153-G197 VanDerWaalsContact O-CA 3.23Å; G153-G197 WeakPolarHBondContact O-CA 3.32Å; G153-G197 PolarHBondContact O-N 3.25Å
154R92.7Very high97.1Very high146 Ų14655.8 Ų55.855%0.55129%0.289SS*.SBendtrans-157.847179.558.4172.6177.7-174.12.3111.7R151 F152 T195R151-R154 HydrophobicContact CG-CG 3.99Å; R151-R154 CarbonylContact O-C 3.49Å; R151-R154 PolarHBondContact O-N 3.45Å; R151-R154 VanDerWaalsContact O-N 3.14Å; F152-R154 PolarHBondContact O-N 3.37Å; R154-T195 PolarHBondContact N-O 3.49Å
155A96Very high97.1Very high3 Ų353 Ų533%0.02528%0.278CS..PPolyproline II helixtrans-66142.7-173.300000110.8T148 N149 R151 T194 T195 L196T148-A155 HydrophobicContact CG2-CB 4.16Å; N149-A155 WeakPolarHBondContact OD1-CA 3.39Å; R151-A155 VanDerWaalsContact O-CA 3.25Å; R151-A155 WeakPolarHBondContact O-CA 3.34Å; R151-A155 PolarHBondContact O-N 3.3Å; A155-T194 HydrophobicContact CB-CG2 4.07Å; A155-T195 WeakPolarHBondContact CB-O 3.35Å; A155-T195 PolarHBondContact N-O 3.18Å; A155-L196 WeakPolarHBondContact O-CD2 3.28Å
156E95.7Very high97.1Very high98 Ų9853 Ų5346%0.45828%0.278SS..PPolyproline II helixtrans-95.6126.7-179.7-66.8162.8-155.600109T148 N149 R151T148-E156 CarbonylContact C-O 3.38Å; T148-E156 WeakPolarHBondContact CA-O 3.47Å; N149-E156 PolarHBondContact N-O 3.28Å; N149-E156 PolarHBondContact OD1-N 2.97Å; R151-E156 IonicContact CZ-OE1 3.17Å; R151-E156 IonicContact NH1-OE1 2.72Å; R151-E156 PolarHBondContact NH1-OE1 2.67Å
157P97.2Very high97.1Very high19 Ų1955.6 Ų55.612%0.12330%0.3CS..BIsolated β-bridgetrans-73.8141.5-179.330.2-35.3000112.2M146 R147 I159 Y203 L207M146-P157 HydrophobicContact SD-CB 3.93Å; R147-P157 CarbonylContact O-C 3.55Å; R147-P157 WeakPolarHBondContact O-CA 3.41Å; P157-I159 HydrophobicContact CB-CD1 4.25Å; P157-I159 HydrophobicContact CG-CD1 3.9Å; P157-I159 PolarHBondContact O-N 2.88Å; P157-Y203 HydrophobicContact CG-CE1 3.92Å; P157-Y203 WeakPolarHBondContact CG-OH 3.48Å; P157-L207 HydrophobicContact CB-CD1 4.1Å; P157-L207 HydrophobicContact CB-CD2 4.49Å; P157-L207 HydrophobicContact CG-CD1 3.74Å; P157-L207 HydrophobicContact CG-CD2 3.92Å
158D98Very high97Very high80 Ų8057.8 Ų57.843%0.42832%0.316SS..  trans-8199.4167-174.6-24.5000109.1R147 A160 A161 L162R147-D158 HydrophobicContact CB-CB 4.37Å; R147-D158 PolarHBondContact O-N 2.97Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 2.81Å; D158-A160 PolarHBondContact OD1-N 3.36Å; D158-A160 VanDerWaalsContact OD1-N 3.13Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 VanDerWaalsContact CG-CB 3.5Å; D158-A161 PolarHBondContact O-N 2.63Å; D158-A161 PolarHBondContact OD1-N 2.91Å; D158-L162 WeakPolarHBondContact O-CB 3.22Å; D158-L162 PolarHBondContact O-N 3.19Å
159I97.5Very high97Very high54 Ų5460.1 Ų60.128%0.27733%0.327SS..Hα-helixtrans-63.3-37.1-175.3-52.4-54.8000112P157 L162 A163 L207P157-I159 HydrophobicContact CB-CD1 4.25Å; P157-I159 HydrophobicContact CG-CD1 3.9Å; P157-I159 PolarHBondContact O-N 2.88Å; I159-L162 PolarHBondContact O-N 3.28Å; I159-A163 PolarHBondContact O-N 3.16Å; I159-L207 HydrophobicContact CD1-CD2 3.34Å
160A97.9Very high97Very high73 Ų7357.6 Ų57.660%0.60331%0.313SS*.Hα-helixtrans-70.4-45.8-178.800000110.7D158 L162 A163 E164D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 2.81Å; D158-A160 PolarHBondContact OD1-N 3.36Å; D158-A160 VanDerWaalsContact OD1-N 3.13Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.27Å; A160-A163 PolarHBondContact O-N 3.5Å; A160-E164 PolarHBondContact O-N 2.88Å; A160-E164 VanDerWaalsContact O-N 3.13Å
161A98.3Very high97Very high20 Ų2055 Ų5517%0.16530%0.299CS..Hα-helixtrans-62.4-40.2174.800000111.7R147 D158 A163 E164 L165R147-A161 HydrophobicContact CB-CB 4.24Å; R147-A161 HydrophobicContact CG-CB 4.38Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 VanDerWaalsContact CG-CB 3.5Å; D158-A161 PolarHBondContact O-N 2.63Å; D158-A161 PolarHBondContact OD1-N 2.91Å; A161-A163 PolarHBondContact O-N 2.95Å; A161-E164 PolarHBondContact O-N 2.72Å; A161-L165 HydrophobicContact CB-CD1 4.46Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 WeakPolarHBondContact O-CD1 3.46Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.15Å
162L98.6Very high97.1Very high1 Ų153.1 Ų53.11%0.00530%0.299CS..Hα-helixtrans-59.7-46.9176.6177.761.8000111.6V145 M146 D158 I159 A160 A166 L207 L208 A211V145-L162 HydrophobicContact CB-CD1 3.99Å; V145-L162 HydrophobicContact CG2-CD1 3.84Å; V145-L162 WeakPolarHBondContact O-CD1 3.28Å; M146-L162 HydrophobicContact CE-CD1 4.27Å; M146-L162 HydrophobicContact CE-CD2 4Å; M146-L162 HydrophobicContact SD-CD1 4.39Å; M146-L162 HydrophobicContact SD-CD2 4.07Å; D158-L162 WeakPolarHBondContact O-CB 3.22Å; D158-L162 PolarHBondContact O-N 3.19Å; I159-L162 PolarHBondContact O-N 3.28Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.27Å; L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.95Å; L162-L207 HydrophobicContact CD2-CB 3.73Å; L162-L207 HydrophobicContact CD2-CD2 4.45Å; L162-L208 HydrophobicContact CD1-CD2 4.04Å; L162-A211 HydrophobicContact CD2-CB 4.18Å; L162-A211 HydrophobicContact CG-CB 3.85Å
163A98.3Very high97.1Very high42 Ų4255 Ų5535%0.34731%0.305SS..Hα-helixtrans-60.7-47.1178.400000112.2I159 A160 A161 A167I159-A163 PolarHBondContact O-N 3.16Å; A160-A163 PolarHBondContact O-N 3.5Å; A161-A163 PolarHBondContact O-N 2.95Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.34Å
164E98.5Very high97.4Very high141 Ų14153.5 Ų53.566%0.65929%0.289SS*.Hα-helixtrans-62.4-48.9178.4-174.3-177.5168.300111.9A160 A161 A167 L168A160-E164 PolarHBondContact O-N 2.88Å; A160-E164 VanDerWaalsContact O-N 3.13Å; A161-E164 PolarHBondContact O-N 2.72Å; E164-A167 PolarHBondContact O-N 3.36Å; E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3Å
165L98.6Very high97.4Very high32 Ų3251.8 Ų51.817%0.16829%0.291CS..Hα-helixtrans-71.2-34.8-177.3-65169.6000112V145 R147 A161 L168 Q169V145-L165 HydrophobicContact CB-CB 3.99Å; V145-L165 HydrophobicContact CG1-CB 3.94Å; R147-L165 HydrophobicContact CG-CD1 3.7Å; A161-L165 HydrophobicContact CB-CD1 4.46Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 WeakPolarHBondContact O-CD1 3.46Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.15Å; L165-L168 PolarHBondContact O-N 3.08Å; L165-Q169 WeakPolarHBondContact O-CB 3.35Å; L165-Q169 PolarHBondContact O-N 3.26Å
166A98.4Very high97.2Very high0 Ų057.2 Ų57.20%032%0.316CS..Iπ-helixtrans-64.1-44.8173.800000111L162 L168 L170 L171 A211 L212L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.95Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.39Å; A166-L170 HydrophobicContact CB-CB 4.42Å; A166-L170 CarbonylContact O-C 3.59Å; A166-L170 WeakPolarHBondContact O-CA 3.4Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.05Å; A166-L171 PolarHBondContact O-N 3.23Å; A166-A211 HydrophobicContact CB-CB 3.99Å; A166-L212 HydrophobicContact CB-CD2 4.12Å
167A97.8Very high97.1Very high55 Ų5552.8 Ų52.846%0.45530%0.296SS..Iπ-helixtrans-61.6-39.7175.200000112.4A163 E164 P172A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.34Å; E164-A167 PolarHBondContact O-N 3.36Å; A167-P172 WeakPolarHBondContact O-CD 3.29Å
168L98.2Very high97.1Very high121 Ų12152.4 Ų52.463%0.63429%0.293SS*.Iπ-helixtrans-78-39.1-177.6-176.863.6000113.7E164 L165 A166E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3Å; L165-L168 PolarHBondContact O-N 3.08Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.39Å
169Q98.3Very high97.1Very high54 Ų5448.6 Ų48.625%0.25227%0.273SS..Iπ-helixtrans-117-32-166.8-58.4-173.550.300114.1F140 V145 L165 R173F140-Q169 HydrophobicContact CE2-CB 4.5Å; F140-Q169 HydrophobicContact CZ-CB 4.36Å; V145-Q169 HydrophobicContact CG1-CB 4.28Å; L165-Q169 WeakPolarHBondContact O-CB 3.35Å; L165-Q169 PolarHBondContact O-N 3.26Å; Q169-R173 PolarHBondContact O-NH1 2.9Å
170L97.8Very high97.2Very high0 Ų046 Ų460%026%0.259CS..Iπ-helixtrans-94.8-48.2-174.7-174.155.9000111.4L35 F140 A166 R173 L174 V179 L208 L212L35-L170 HydrophobicContact CD1-CD1 4.22Å; L35-L170 HydrophobicContact CD1-CD2 4.4Å; L35-L170 HydrophobicContact CD2-CD2 4.11Å; F140-L170 HydrophobicContact CD1-CD1 3.87Å; F140-L170 HydrophobicContact CD2-CD1 4.48Å; F140-L170 HydrophobicContact CE1-CD1 4.12Å; F140-L170 HydrophobicContact CG-CD1 4.05Å; A166-L170 HydrophobicContact CB-CB 4.42Å; A166-L170 CarbonylContact O-C 3.59Å; A166-L170 WeakPolarHBondContact O-CA 3.4Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.05Å; L170-R173 WeakPolarHBondContact O-CB 3.35Å; L170-R173 PolarHBondContact O-N 2.85Å; L170-L174 HydrophobicContact CG-CD1 4.23Å; L170-L174 HydrophobicContact CG-CG 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.36Å; L170-L174 VanDerWaalsContact O-N 3.07Å; L170-V179 HydrophobicContact CD1-CB 4.46Å; L170-V179 HydrophobicContact CD1-CG1 3.79Å; L170-L208 HydrophobicContact CD2-CD2 3.86Å; L170-L212 HydrophobicContact CD2-CD1 3.96Å; L170-L212 HydrophobicContact CD2-CD2 4.49Å; L170-L212 HydrophobicContact CG-CD1 4.48Å
171L96.9Very high97.2Very high45 Ų4542.6 Ų42.624%0.23623%0.231CC..Hα-helixtrans-56.8-41.6-178.4-173.763.8000113.8I4 A166 R173 L174 N175 L212I4-L171 HydrophobicContact CD1-CD1 3.91Å; A166-L171 PolarHBondContact O-N 3.23Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.42Å; L171-L174 PolarHBondContact O-N 3.43Å; L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 3.29Å; L171-L212 HydrophobicContact CB-CD2 4.18Å; L171-L212 HydrophobicContact CD1-CD2 4.3Å
172P96.9Very high97.3Very high57 Ų5741.6 Ų41.637%0.3722%0.223SC..Hα-helixtrans-59.4-38.1175.1-25.836.5000113.1A167 N175 E176A167-P172 WeakPolarHBondContact O-CD 3.29Å; P172-N175 WeakPolarHBondContact O-CB 3.07Å; P172-N175 PolarHBondContact O-N 3.44Å; P172-E176 PolarHBondContact O-N 2.95Å
173R96.9Very high97.2Very high79 Ų7941.6 Ų41.630%0.29822%0.223SC..Hα-helixtrans-70.1-37.2178-66.1-177.4166.589.51.6112.3Q169 L170 L171 N175 E176 G177 V179Q169-R173 PolarHBondContact O-NH1 2.9Å; L170-R173 WeakPolarHBondContact O-CB 3.35Å; L170-R173 PolarHBondContact O-N 2.85Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.42Å; R173-N175 PolarHBondContact O-N 3.3Å; R173-E176 WeakPolarHBondContact O-CB 3.43Å; R173-E176 PolarHBondContact O-N 3.19Å; R173-G177 PolarHBondContact O-N 3.36Å; R173-V179 HydrophobicContact CB-CG2 3.76Å
174L96.1Very high97.2Very high3 Ų341 Ų412%0.01621%0.213CC..Hα-helixtrans-62.6-28.7174.7-64.7174.9000112.3I4 R34 L35 L170 L171 E176 V179 L212I4-L174 HydrophobicContact CD1-CD1 4.36Å; R34-L174 HydrophobicContact CB-CB 4.5Å; R34-L174 HydrophobicContact CB-CD2 3.98Å; R34-L174 VanDerWaalsContact CZ-O 3.31Å; R34-L174 PolarHBondContact NE-O 3.08Å; R34-L174 PolarHBondContact NH2-O 3.22Å; R34-L174 WeakPolarHBondContact O-CD2 3.29Å; L35-L174 HydrophobicContact CB-CD2 3.86Å; L35-L174 HydrophobicContact CD1-CD2 4.23Å; L170-L174 HydrophobicContact CG-CD1 4.23Å; L170-L174 HydrophobicContact CG-CG 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.36Å; L170-L174 VanDerWaalsContact O-N 3.07Å; L171-L174 PolarHBondContact O-N 3.43Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-V179 HydrophobicContact CD2-CB 3.73Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.25Å; L174-L212 HydrophobicContact CD1-CD1 3.58Å; L174-L212 HydrophobicContact CD1-CD2 3.87Å; L174-L212 HydrophobicContact CD1-CG 4.33Å
175N92.5Very high97.1Very high111 Ų11134.3 Ų34.359%0.59418%0.181SC*.Hα-helixtrans-74-26.2173.8-64.9-33.5000112.6L171 P172 R173L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 3.29Å; P172-N175 WeakPolarHBondContact O-CB 3.07Å; P172-N175 PolarHBondContact O-N 3.44Å; R173-N175 PolarHBondContact O-N 3.3Å
176E92.9Very high97.1Very high117 Ų11732.8 Ų32.855%0.54717%0.173SC..Hα-helixtrans-86.3-32.9179.8-68.5172.5-178.800113Q136 Q138 P172 R173 L174Q136-E176 PolarHBondContact NE2-O 3.34Å; Q138-E176 PolarHBondContact NE2-OE2 3.17Å; P172-E176 PolarHBondContact O-N 2.95Å; R173-E176 WeakPolarHBondContact O-CB 3.43Å; R173-E176 PolarHBondContact O-N 3.19Å; L174-E176 VanDerWaalsContact C-N 3.34Å
177G92.9Very high97.2Very high4 Ų433 Ų334%0.04118%0.175CC..SBendtrans-174.4-173.1-174.300000114R34 R173R34-G177 VanDerWaalsContact NH2-N 3.2Å; R34-G177 PolarHBondContact NH2-O 3.49Å; R173-G177 PolarHBondContact O-N 3.36Å
178L97.9Very high97.2Very high11 Ų1130.7 Ų30.76%0.05816%0.155CC..EExtended strand (participates in β ladder)trans-74.1131.1172.8-179.966.3000108.9V27 V33 V36 L130 V135 Q136 A137 Q138 I180V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 3.55Å; V27-L178 HydrophobicContact CG1-CG 4.36Å; V33-L178 WeakPolarHBondContact O-CD1 3.3Å; V36-L178 HydrophobicContact CG2-CD1 3.88Å; L130-L178 HydrophobicContact CD1-CD2 3.66Å; L130-L178 HydrophobicContact CD2-CD2 4.22Å; V135-L178 HydrophobicContact CG1-CD2 4.12Å; Q136-L178 PolarHBondContact O-N 2.97Å; Q136-L178 VanDerWaalsContact O-N 3.16Å; A137-L178 CarbonylContact C-O 3.55Å; A137-L178 WeakPolarHBondContact CA-O 3.49Å; Q138-L178 PolarHBondContact N-O 2.96Å; L178-I180 HydrophobicContact CD2-CD1 4.04Å; L178-I180 HydrophobicContact CG-CD1 3.93Å
179V98.7Very high97Very high0 Ų031.7 Ų31.70%016%0.161CC..EExtended strand (participates in β ladder)trans-110129.4178.2179.40000110R34 L35 V36 Q138 F140 L170 R173 L174R34-V179 PolarHBondContact O-N 2.9Å; L35-V179 CarbonylContact C-O 3.56Å; L35-V179 WeakPolarHBondContact CA-O 3.13Å; L35-V179 HydrophobicContact CD1-CB 3.96Å; L35-V179 HydrophobicContact CD1-CG1 3.88Å; V36-V179 PolarHBondContact N-O 3.12Å; Q138-V179 HydrophobicContact CB-CG2 4.43Å; Q138-V179 WeakPolarHBondContact O-CA 3.43Å; F140-V179 HydrophobicContact CB-CG1 3.47Å; F140-V179 VanDerWaalsContact CB-CG1 3.47Å; F140-V179 HydrophobicContact CG-CG1 4.31Å; L170-V179 HydrophobicContact CD1-CB 4.46Å; L170-V179 HydrophobicContact CD1-CG1 3.79Å; R173-V179 HydrophobicContact CB-CG2 3.76Å; L174-V179 HydrophobicContact CD2-CB 3.73Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.25Å
180I98.8Very high96.9Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-108.6128.7174.8-44.9-55.2000108.2V36 L38 T123 F126 V127 L130 Q138 F140 L178V36-I180 HydrophobicContact CB-CD1 3.57Å; V36-I180 HydrophobicContact CG1-CD1 4.26Å; V36-I180 HydrophobicContact CG2-CD1 3.74Å; V36-I180 WeakPolarHBondContact O-CA 3.33Å; L38-I180 HydrophobicContact CD1-CG2 4Å; L38-I180 HydrophobicContact CG-CG2 4.27Å; T123-I180 HydrophobicContact CG2-CG2 4.2Å; F126-I180 HydrophobicContact CD1-CD1 4.08Å; F126-I180 HydrophobicContact CD1-CG1 4.27Å; F126-I180 HydrophobicContact CD1-CG2 3.99Å; F126-I180 HydrophobicContact CE1-CD1 4.1Å; V127-I180 HydrophobicContact CG2-CB 3.43Å; V127-I180 VanDerWaalsContact CG2-CB 3.43Å; V127-I180 HydrophobicContact CG2-CG1 3.43Å; V127-I180 VanDerWaalsContact CG2-CG1 3.43Å; V127-I180 HydrophobicContact CG2-CG2 3.98Å; L130-I180 HydrophobicContact CD1-CD1 3.44Å; L130-I180 VanDerWaalsContact CD1-CD1 3.44Å; L130-I180 HydrophobicContact CD1-CG1 3.81Å; Q138-I180 PolarHBondContact O-N 3.31Å; F140-I180 PolarHBondContact N-O 2.81Å; L178-I180 HydrophobicContact CD2-CD1 4.04Å; L178-I180 HydrophobicContact CG-CD1 3.93Å
181T98.8Very high96.9Very high1 Ų139.5 Ų39.51%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-140.7162.7-174.6-164.30000111.4L35 V36 V37 L38 T123 F140 V142 L208L35-T181 HydrophobicContact CD1-CG2 3.75Å; L35-T181 HydrophobicContact CG-CG2 4.37Å; V36-T181 PolarHBondContact O-N 3.38Å; V37-T181 WeakPolarHBondContact CA-O 3.48Å; V37-T181 HydrophobicContact CG2-CG2 3.83Å; L38-T181 PolarHBondContact N-O 2.76Å; T123-T181 VanDerWaalsContact CG2-O 3.3Å; T123-T181 WeakPolarHBondContact CG2-O 3.35Å; F140-T181 PolarHBondContact O-OG1 3.5Å; V142-T181 VanDerWaalsContact CB-OG1 3.28Å; V142-T181 WeakPolarHBondContact CB-OG1 3.32Å; T181-L208 HydrophobicContact CG2-CD1 3.99Å
182Q98.6Very high96.9Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-80.6142.2-179.2-57.873.843.400110.7E119 L120 T123 W139 F140 V142 I185E119-Q182 HydrophobicContact CB-CB 3.76Å; E119-Q182 HydrophobicContact CB-CG 3.88Å; L120-Q182 HydrophobicContact CD2-CG 4.03Å; T123-Q182 HydrophobicContact CG2-CG 4.03Å; T123-Q182 PolarHBondContact OG1-NE2 3.05Å; W139-Q182 VanDerWaalsContact CZ2-NE2 3.26Å; W139-Q182 VanDerWaalsContact NE1-NE2 3.14Å; F140-Q182 PolarHBondContact O-NE2 3.39Å; F140-Q182 PolarHBondContact O-OE1 3.5Å; V142-Q182 HydrophobicContact CB-CB 4.49Å; V142-Q182 HydrophobicContact CG1-CB 3.96Å; Q182-I185 HydrophobicContact CB-CD1 3.57Å; Q182-I185 HydrophobicContact CB-CG1 3.81Å; Q182-I185 HydrophobicContact CG-CD1 3.8Å
183G97.9Very high97Very high0 Ų039.5 Ų39.50%020%0.197CC..SBendtrans-86-179.5160.400000111.6V37 L38 E119 I185V37-G183 VanDerWaalsContact CG1-CA 3.42Å; L38-G183 PolarHBondContact O-N 3.04Å; E119-G183 WeakPolarHBondContact CG-O 3.33Å; G183-I185 PolarHBondContact O-N 3.15Å
184F96.8Very high97.1Very high30 Ų3035.8 Ų35.813%0.13218%0.183CC..SBendtrans66.9-26.7167.3-179.1-119.7000116.9V115 T195 L196 G197 G200 T204V115-F184 HydrophobicContact CB-CE1 4.37Å; V115-F184 HydrophobicContact CG1-CD1 4.41Å; V115-F184 HydrophobicContact CG1-CE1 3.57Å; V115-F184 HydrophobicContact CG1-CZ 4.37Å; F184-T195 HydrophobicContact CD1-CG2 3.97Å; F184-T195 HydrophobicContact CE1-CG2 3.31Å; F184-T195 HydrophobicContact CE2-CG2 4.29Å; F184-T195 HydrophobicContact CZ-CG2 3.52Å; F184-T195 CarbonylContact O-C 3.58Å; F184-T195 WeakPolarHBondContact O-CA 3.48Å; F184-L196 PolarHBondContact O-N 3.5Å; F184-G197 WeakPolarHBondContact CD2-O 3.5Å; F184-G197 VanDerWaalsContact CE2-O 3.23Å; F184-G197 WeakPolarHBondContact CE2-O 3.08Å; F184-G200 PolarHBondContact N-O 3.45Å; F184-T204 PolarHBondContact N-OG1 2.8Å
185I98.4Very high97.2Very high0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-108.6152.3-170.572.7178.3000112.3L120 V142 R143 Q182 G183 T193 T194L120-I185 HydrophobicContact CD2-CD1 4.36Å; V142-I185 HydrophobicContact CG1-CD1 4.07Å; V142-I185 HydrophobicContact CG1-CG1 3.41Å; V142-I185 VanDerWaalsContact CG1-CG1 3.41Å; V142-I185 WeakPolarHBondContact CG1-O 3.33Å; R143-I185 HydrophobicContact CG-CD1 4.18Å; R143-I185 HydrophobicContact CG-CG1 4.23Å; Q182-I185 HydrophobicContact CB-CD1 3.57Å; Q182-I185 HydrophobicContact CB-CG1 3.81Å; Q182-I185 HydrophobicContact CG-CD1 3.8Å; G183-I185 PolarHBondContact O-N 3.15Å; I185-T193 HydrophobicContact CB-CG2 4.36Å; I185-T194 CarbonylContact C-O 3.54Å; I185-T194 WeakPolarHBondContact CA-O 3.45Å
186G98.5Very high97.3Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-149.6-169.1175.100000110.6M146 T193 T194M146-G186 CarbonylContact O-C 3.47Å; M146-G186 WeakPolarHBondContact O-CA 3.23Å; G186-T193 WeakPolarHBondContact O-CA 3.42Å; G186-T194 VanDerWaalsContact C-OG1 3.26Å; G186-T194 PolarHBondContact N-O 3.11Å; G186-T194 PolarHBondContact O-N 3.1Å; G186-T194 PolarHBondContact O-OG1 2.87Å
187S98.6Very high97Very high5 Ų526.3 Ų26.34%0.03514%0.14CC..EExtended strand (participates in β ladder)trans-143.6131.4178.7178.90000112.5M146 R147 T148 G191 R192M146-S187 PolarHBondContact O-N 3.14Å; R147-S187 WeakPolarHBondContact CA-O 3.37Å; R147-S187 PolarHBondContact NH1-OG 2.72Å; T148-S187 PolarHBondContact N-O 3.33Å; T148-S187 VanDerWaalsContact OG1-C 3.32Å; T148-S187 PolarHBondContact OG1-O 3.29Å; S187-G191 WeakPolarHBondContact OG-CA 3.4Å; S187-G191 PolarHBondContact OG-O 3.25Å; S187-R192 VanDerWaalsContact CA-O 3.28Å; S187-R192 WeakPolarHBondContact CA-O 3.27Å; S187-R192 PolarHBondContact OG-O 2.69Å
188E98.2Very high96.3Very high6 Ų634.9 Ų34.93%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-76.5171.8174.36378-150.200112.1T148 D150 F152 K190 G191 R192 T194T148-E188 WeakPolarHBondContact O-CA 3.49Å; T148-E188 PolarHBondContact OG1-N 2.95Å; D150-E188 HydrophobicContact CB-CB 4.36Å; D150-E188 HydrophobicContact CB-CG 4.45Å; F152-E188 HydrophobicContact CE1-CG 4.48Å; F152-E188 HydrophobicContact CZ-CG 4.19Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.38Å; E188-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 WeakPolarHBondContact OE1-CA 3.3Å; E188-K190 WeakPolarHBondContact OE1-CB 3.26Å; E188-K190 PolarHBondContact OE1-N 3.45Å; E188-K190 WeakPolarHBondContact OE2-CG 3.47Å; E188-K190 PolarHBondContact OE2-N 3.5Å; E188-G191 WeakPolarHBondContact O-CA 3.33Å; E188-G191 PolarHBondContact O-N 2.93Å; E188-G191 PolarHBondContact OE1-N 2.79Å; E188-R192 HydrophobicContact CG-CB 3.98Å; E188-R192 PolarHBondContact N-O 3.28Å; E188-R192 WeakPolarHBondContact OE1-CB 3.39Å; E188-R192 WeakPolarHBondContact OE1-CG 3.39Å; E188-R192 IonicContact OE1-CZ 3.73Å; E188-R192 PolarHBondContact OE1-N 3.29Å; E188-R192 IonicContact OE1-NE 2.88Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 IonicContact OE1-NH2 3.69Å; E188-R192 IonicContact OE2-NH2 3.71Å; E188-T194 HydrophobicContact CB-CG2 3.91Å; E188-T194 HydrophobicContact CG-CG2 4.1Å
189N95.1Very high95.6Very high142 Ų14235.6 Ų35.676%0.75918%0.181SC*.THydrogen-bonded Turntrans-61.1-25-170.6-71.3-26.4000115.3G191N189-G191 VanDerWaalsContact C-N 3.3Å
190K96.5Very high95.2Very high172 Ų17235.7 Ų35.775%0.74818%0.182SC*.THydrogen-bonded Turntrans-89.26.3173.4-46.4171.9180172.70113.1E188E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.38Å; E188-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 WeakPolarHBondContact OE1-CA 3.3Å; E188-K190 WeakPolarHBondContact OE1-CB 3.26Å; E188-K190 PolarHBondContact OE1-N 3.45Å; E188-K190 WeakPolarHBondContact OE2-CG 3.47Å; E188-K190 PolarHBondContact OE2-N 3.5Å
191G96.6Very high95.1Very high46 Ų4636.2 Ų36.247%0.47419%0.185SC..SBendtrans873.1174.500000115.1S187 E188 N189S187-G191 WeakPolarHBondContact OG-CA 3.4Å; S187-G191 PolarHBondContact OG-O 3.25Å; E188-G191 WeakPolarHBondContact O-CA 3.33Å; E188-G191 PolarHBondContact O-N 2.93Å; E188-G191 PolarHBondContact OE1-N 2.79Å; N189-G191 VanDerWaalsContact C-N 3.3Å
192R98.2Very high94.8Very high99 Ų9937.1 Ų37.137%0.37419%0.19SC..  trans-71.6147174.7-62.3173.7-69.2165.65.2110.3F152 S187 E188F152-R192 HydrophobicContact CE1-CB 4.3Å; F152-R192 HydrophobicContact CZ-CB 4.41Å; F152-R192 VanDerWaalsContact CZ-CZ 3.48Å; S187-R192 VanDerWaalsContact CA-O 3.28Å; S187-R192 WeakPolarHBondContact CA-O 3.27Å; S187-R192 PolarHBondContact OG-O 2.69Å; E188-R192 HydrophobicContact CG-CB 3.98Å; E188-R192 PolarHBondContact N-O 3.28Å; E188-R192 WeakPolarHBondContact OE1-CB 3.39Å; E188-R192 WeakPolarHBondContact OE1-CG 3.39Å; E188-R192 IonicContact OE1-CZ 3.73Å; E188-R192 PolarHBondContact OE1-N 3.29Å; E188-R192 IonicContact OE1-NE 2.88Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 IonicContact OE1-NH2 3.69Å; E188-R192 IonicContact OE2-NH2 3.71Å
193T98.6Very high94.7Very high4 Ų439.4 Ų39.43%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-69.2141.1175.2-54.50000110.2E113 R143 F152 I185 G186E113-T193 WeakPolarHBondContact OE2-CB 3.35Å; E113-T193 PolarHBondContact OE2-OG1 2.96Å; R143-T193 PolarHBondContact NH1-OG1 2.67Å; F152-T193 WeakPolarHBondContact CE1-O 3.43Å; I185-T193 HydrophobicContact CB-CG2 4.36Å; G186-T193 WeakPolarHBondContact O-CA 3.42Å
194T98.5Very high94.7Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-127.6157.5172.861.30000110.2D112 T148 F152 A155 I185 G186 E188D112-T194 VanDerWaalsContact OD2-CA 3.24Å; D112-T194 WeakPolarHBondContact OD2-CA 3.4Å; T148-T194 WeakPolarHBondContact OG1-CG2 3.23Å; T148-T194 PolarHBondContact OG1-OG1 2.83Å; F152-T194 HydrophobicContact CD1-CG2 3.95Å; F152-T194 HydrophobicContact CE1-CG2 3.83Å; A155-T194 HydrophobicContact CB-CG2 4.07Å; I185-T194 CarbonylContact C-O 3.54Å; I185-T194 WeakPolarHBondContact CA-O 3.45Å; G186-T194 VanDerWaalsContact C-OG1 3.26Å; G186-T194 PolarHBondContact N-O 3.11Å; G186-T194 PolarHBondContact O-N 3.1Å; G186-T194 PolarHBondContact O-OG1 2.87Å; E188-T194 HydrophobicContact CB-CG2 3.91Å; E188-T194 HydrophobicContact CG-CG2 4.1Å
195T97.5Very high94.7Very high4 Ų438 Ų383%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-112.2149.8170.667.10000112D112 G153 R154 A155 F184 G197D112-T195 HydrophobicContact CB-CG2 3.92Å; D112-T195 VanDerWaalsContact CG-N 3.25Å; D112-T195 WeakPolarHBondContact OD1-CB 3.36Å; D112-T195 WeakPolarHBondContact OD1-CG2 3.48Å; D112-T195 PolarHBondContact OD1-OG1 2.93Å; D112-T195 PolarHBondContact OD2-N 3.25Å; G153-T195 VanDerWaalsContact CA-OG1 3.3Å; G153-T195 WeakPolarHBondContact CA-OG1 3.46Å; R154-T195 PolarHBondContact N-O 3.49Å; A155-T195 WeakPolarHBondContact CB-O 3.35Å; A155-T195 PolarHBondContact N-O 3.18Å; F184-T195 HydrophobicContact CD1-CG2 3.97Å; F184-T195 HydrophobicContact CE1-CG2 3.31Å; F184-T195 HydrophobicContact CE2-CG2 4.29Å; F184-T195 HydrophobicContact CZ-CG2 3.52Å; F184-T195 CarbonylContact O-C 3.58Å; F184-T195 WeakPolarHBondContact O-CA 3.48Å; T195-G197 VanDerWaalsContact C-N 3.32Å
196L94.4Very high94.7Very high14 Ų1438 Ų387%0.07319%0.193CC..  trans-884.1-176.6-59.9-179.8000113.6T148 A155 F184 Y203 T204 L207T148-L196 HydrophobicContact CG2-CD2 3.91Å; A155-L196 WeakPolarHBondContact O-CD2 3.28Å; F184-L196 PolarHBondContact O-N 3.5Å; L196-Y203 HydrophobicContact CB-CD1 4.17Å; L196-Y203 HydrophobicContact CD1-CD1 4.02Å; L196-T204 WeakPolarHBondContact CD1-OG1 3.2Å; L196-L207 HydrophobicContact CD1-CD1 4.15Å
197G87.6Confident94.7Very high15 Ų1538 Ų3816%0.15519%0.193CC..  trans75.2-158.6-176.900000114.3G153 F184 T195 G199 G200G153-G197 VanDerWaalsContact O-CA 3.23Å; G153-G197 WeakPolarHBondContact O-CA 3.32Å; G153-G197 PolarHBondContact O-N 3.25Å; F184-G197 WeakPolarHBondContact CD2-O 3.5Å; F184-G197 VanDerWaalsContact CE2-O 3.23Å; F184-G197 WeakPolarHBondContact CE2-O 3.08Å; T195-G197 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 2.82Å; G197-G200 WeakPolarHBondContact O-CA 3.29Å; G197-G200 PolarHBondContact O-N 3.31Å
198R77.4Confident94.7Very high183 Ų18337.8 Ų37.869%0.69119%0.192SC*.THydrogen-bonded Turntrans-60.6134.6-170.9-176.7-180-68.4-77.93.8111.9G200 T356R198-G200 PolarHBondContact O-N 3.02Å; R198-T356 PolarHBondContact NH2-O 2.81Å
199G83.5Confident94.7Very high27 Ų2737.5 Ų37.528%0.27819%0.19SC..THydrogen-bonded Turntrans67.118.4-177.800000112.9G197 S201 D202 Y203G197-G199 PolarHBondContact O-N 2.82Å; G199-S201 PolarHBondContact O-N 3.48Å; G199-S201 VanDerWaalsContact O-N 3.11Å; G199-D202 WeakPolarHBondContact O-CB 3.49Å; G199-D202 PolarHBondContact O-N 3.13Å; G199-Y203 PolarHBondContact O-N 3.18Å
200G91.7Very high94.8Very high2 Ų232.1 Ų32.12%0.02116%0.161CC..Hα-helixtrans-60.5-25.6-172.700000114.5F184 G197 R198 Y203 T204F184-G200 PolarHBondContact N-O 3.45Å; G197-G200 WeakPolarHBondContact O-CA 3.29Å; G197-G200 PolarHBondContact O-N 3.31Å; R198-G200 PolarHBondContact O-N 3.02Å; G200-Y203 PolarHBondContact O-N 2.95Å; G200-T204 WeakPolarHBondContact O-CB 3.44Å; G200-T204 PolarHBondContact O-N 3.16Å; G200-T204 PolarHBondContact O-OG1 2.72Å
201S95Very high94.9Very high10 Ų1024.6 Ų24.67%0.0713%0.131CC..Hα-helixtrans-69.4-40.5171.9-52.20000112.7S39 G199 Y203 T204 A205S39-S201 WeakPolarHBondContact OG-CB 3.36Å; S39-S201 PolarHBondContact OG-OG 2.93Å; G199-S201 PolarHBondContact O-N 3.48Å; G199-S201 VanDerWaalsContact O-N 3.11Å; S201-Y203 VanDerWaalsContact C-N 3.31Å; S201-T204 PolarHBondContact O-N 3.23Å; S201-A205 PolarHBondContact O-N 3.27Å
202D93.8Very high94.9Very high21 Ų2123 Ų2311%0.11211%0.111CC..Hα-helixtrans-65.4-41.3174.2-55.6-32.9000109.5K8 G199 T204 A205 A206 I219 L259K8-D202 WeakPolarHBondContact CD-OD1 3.23Å; K8-D202 WeakPolarHBondContact CE-OD1 3.19Å; K8-D202 IonicContact NZ-OD1 3.74Å; K8-D202 PolarHBondContact NZ-OD1 3.11Å; G199-D202 WeakPolarHBondContact O-CB 3.49Å; G199-D202 PolarHBondContact O-N 3.13Å; D202-T204 PolarHBondContact O-N 3.36Å; D202-A205 PolarHBondContact O-N 3.28Å; D202-A206 PolarHBondContact O-N 2.84Å; D202-I219 HydrophobicContact CB-CD1 4.45Å; D202-L259 HydrophobicContact CB-CD2 4.39Å
203Y95.5Very high94.9Very high48 Ų4826 Ų2619%0.18813%0.129CC..Hα-helixtrans-62.9-43.2175.9-168.4-151.5000112P157 L196 G199 G200 S201 A205 A206 L207 T263 P266P157-Y203 HydrophobicContact CG-CE1 3.92Å; P157-Y203 WeakPolarHBondContact CG-OH 3.48Å; L196-Y203 HydrophobicContact CB-CD1 4.17Å; L196-Y203 HydrophobicContact CD1-CD1 4.02Å; G199-Y203 PolarHBondContact O-N 3.18Å; G200-Y203 PolarHBondContact O-N 2.95Å; S201-Y203 VanDerWaalsContact C-N 3.31Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; Y203-A205 PolarHBondContact O-N 3.06Å; Y203-A206 PolarHBondContact O-N 2.75Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CD2-CD1 3.86Å; Y203-L207 HydrophobicContact CD2-CD2 4.42Å; Y203-L207 HydrophobicContact CD2-CG 3.82Å; Y203-L207 HydrophobicContact CE1-CD1 3.86Å; Y203-L207 HydrophobicContact CE2-CD1 3.82Å; Y203-L207 HydrophobicContact CE2-CD2 3.78Å; Y203-L207 HydrophobicContact CE2-CG 3.68Å; Y203-L207 HydrophobicContact CG-CD1 3.9Å; Y203-L207 HydrophobicContact CG-CG 4.35Å; Y203-L207 WeakPolarHBondContact O-CB 3.42Å; Y203-L207 WeakPolarHBondContact O-CD1 3.46Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 2.77Å; Y203-T263 WeakPolarHBondContact CA-O 3.23Å; Y203-P266 HydrophobicContact CD2-CG 3.91Å; Y203-P266 HydrophobicContact CE2-CG 3.52Å
204T98.2Very high94.8Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-58.8-44.3175.6-59.20000111.2V37 V142 M146 F184 L196 G200 S201 D202 L207 L208V37-T204 HydrophobicContact CG1-CG2 4.04Å; V142-T204 HydrophobicContact CG2-CG2 4.15Å; M146-T204 HydrophobicContact CE-CG2 3.97Å; F184-T204 PolarHBondContact N-OG1 2.8Å; L196-T204 WeakPolarHBondContact CD1-OG1 3.2Å; G200-T204 WeakPolarHBondContact O-CB 3.44Å; G200-T204 PolarHBondContact O-N 3.16Å; G200-T204 PolarHBondContact O-OG1 2.72Å; S201-T204 PolarHBondContact O-N 3.23Å; D202-T204 PolarHBondContact O-N 3.36Å; T204-L207 PolarHBondContact O-N 2.92Å; T204-L208 HydrophobicContact CG2-CD1 3.61Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.08Å; T204-L208 VanDerWaalsContact O-CG 3.25Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.89Å
205A98.1Very high94.8Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-63-45.1177.900000112V6 K8 V37 S201 D202 Y203 L208 A209 V217 I219V6-A205 HydrophobicContact CG1-CB 4.13Å; K8-A205 HydrophobicContact CB-CB 3.75Å; K8-A205 HydrophobicContact CG-CB 4.26Å; V37-A205 HydrophobicContact CB-CB 4.35Å; V37-A205 HydrophobicContact CG2-CB 4.18Å; S201-A205 PolarHBondContact O-N 3.27Å; D202-A205 PolarHBondContact O-N 3.28Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; Y203-A205 PolarHBondContact O-N 3.06Å; A205-L208 PolarHBondContact O-N 3.23Å; A205-A209 WeakPolarHBondContact O-CB 3.5Å; A205-A209 PolarHBondContact O-N 3.26Å; A205-V217 HydrophobicContact CB-CG1 4.09Å; A205-I219 HydrophobicContact CB-CD1 4.38Å
206A97.3Very high94.8Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-63.9-42.9176.700000112.4D202 Y203 A209 E210 T263 P266 A267D202-A206 PolarHBondContact O-N 2.84Å; Y203-A206 PolarHBondContact O-N 2.75Å; A206-A209 PolarHBondContact O-N 3.1Å; A206-E210 PolarHBondContact O-N 2.77Å; A206-T263 VanDerWaalsContact CB-O 3.28Å; A206-T263 WeakPolarHBondContact CB-O 3.48Å; A206-P266 HydrophobicContact CB-CB 3.97Å; A206-P266 HydrophobicContact CB-CG 4.02Å; A206-P266 WeakPolarHBondContact O-CB 3.26Å; A206-A267 HydrophobicContact CB-CB 4.42Å
207L98.3Very high94.9Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-62.4-45.4177.4-74.3165.8000112.2M146 P157 I159 L162 L196 Y203 T204 A209 E210 A211 P266M146-L207 HydrophobicContact CE-CB 3.97Å; M146-L207 HydrophobicContact CE-CD1 3.86Å; M146-L207 HydrophobicContact SD-CD1 3.91Å; P157-L207 HydrophobicContact CB-CD1 4.1Å; P157-L207 HydrophobicContact CB-CD2 4.49Å; P157-L207 HydrophobicContact CG-CD1 3.74Å; P157-L207 HydrophobicContact CG-CD2 3.92Å; I159-L207 HydrophobicContact CD1-CD2 3.34Å; L162-L207 HydrophobicContact CD2-CB 3.73Å; L162-L207 HydrophobicContact CD2-CD2 4.45Å; L196-L207 HydrophobicContact CD1-CD1 4.15Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CD2-CD1 3.86Å; Y203-L207 HydrophobicContact CD2-CD2 4.42Å; Y203-L207 HydrophobicContact CD2-CG 3.82Å; Y203-L207 HydrophobicContact CE1-CD1 3.86Å; Y203-L207 HydrophobicContact CE2-CD1 3.82Å; Y203-L207 HydrophobicContact CE2-CD2 3.78Å; Y203-L207 HydrophobicContact CE2-CG 3.68Å; Y203-L207 HydrophobicContact CG-CD1 3.9Å; Y203-L207 HydrophobicContact CG-CG 4.35Å; Y203-L207 WeakPolarHBondContact O-CB 3.42Å; Y203-L207 WeakPolarHBondContact O-CD1 3.46Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 2.77Å; T204-L207 PolarHBondContact O-N 2.92Å; L207-A209 VanDerWaalsContact C-N 3.35Å; L207-E210 PolarHBondContact O-N 2.9Å; L207-A211 WeakPolarHBondContact O-CB 3.17Å; L207-A211 PolarHBondContact O-N 2.75Å; L207-P266 HydrophobicContact CD2-CB 4.31Å; L207-P266 HydrophobicContact CD2-CG 3.66Å; L207-P266 HydrophobicContact CG-CG 3.89Å
208L98.6Very high95.4Very high1 Ų130.2 Ų30.21%0.00515%0.147CC..Hα-helixtrans-67.9-37.7177.7-69.7167.6000111.3L35 V37 V142 V145 M146 L162 L170 T181 T204 A205 A211 L212L35-L208 HydrophobicContact CD2-CB 3.86Å; L35-L208 HydrophobicContact CD2-CD1 4.06Å; L35-L208 HydrophobicContact CD2-CG 4.43Å; V37-L208 HydrophobicContact CG2-CD1 3.98Å; V142-L208 HydrophobicContact CG2-CD1 4.16Å; V145-L208 HydrophobicContact CG2-CD2 4.1Å; M146-L208 HydrophobicContact CE-CG 4.34Å; L162-L208 HydrophobicContact CD1-CD2 4.04Å; L170-L208 HydrophobicContact CD2-CD2 3.86Å; T181-L208 HydrophobicContact CG2-CD1 3.99Å; T204-L208 HydrophobicContact CG2-CD1 3.61Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.08Å; T204-L208 VanDerWaalsContact O-CG 3.25Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.89Å; A205-L208 PolarHBondContact O-N 3.23Å; L208-A211 PolarHBondContact O-N 3.1Å; L208-L212 VanDerWaalsContact O-CB 3.27Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 WeakPolarHBondContact O-CD1 3.48Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.11Å
209A98.3Very high96.3Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-62-44.6175.300000112.3V6 A205 A206 L207 L212 H213 A214 V217 I272V6-A209 HydrophobicContact CB-CB 4.21Å; V6-A209 HydrophobicContact CG2-CB 3.86Å; A205-A209 WeakPolarHBondContact O-CB 3.5Å; A205-A209 PolarHBondContact O-N 3.26Å; A206-A209 PolarHBondContact O-N 3.1Å; L207-A209 VanDerWaalsContact C-N 3.35Å; A209-L212 PolarHBondContact O-N 3.31Å; A209-H213 PolarHBondContact O-N 3.29Å; A209-A214 HydrophobicContact CB-CB 3.75Å; A209-A214 WeakPolarHBondContact O-CB 3.46Å; A209-A214 PolarHBondContact O-N 3.11Å; A209-V217 HydrophobicContact CB-CG2 3.3Å; A209-I272 HydrophobicContact CB-CD1 4.19Å
210E98Very high96.9Very high29 Ų2921.1 Ų21.114%0.13610%0.104CC..Hα-helixtrans-60.1-51.5172.3167.8176.5-126.400111.6A206 L207 L212 H213 P266 R269 S270A206-E210 PolarHBondContact O-N 2.77Å; L207-E210 PolarHBondContact O-N 2.9Å; E210-L212 PolarHBondContact O-N 3.42Å; E210-L212 VanDerWaalsContact O-N 3.16Å; E210-H213 PolarHBondContact O-N 3.01Å; E210-P266 HydrophobicContact CB-CB 4.11Å; E210-R269 VanDerWaalsContact CD-NE 3.32Å; E210-R269 WeakPolarHBondContact OE1-CD 3.36Å; E210-R269 WeakPolarHBondContact OE1-CG 3.37Å; E210-R269 IonicContact OE1-CZ 2.63Å; E210-R269 IonicContact OE1-NE 3.34Å; E210-R269 PolarHBondContact OE1-NE 2.99Å; E210-R269 IonicContact OE1-NH2 3.64Å; E210-R269 IonicContact OE2-CZ 3.95Å; E210-R269 IonicContact OE2-NE 3.57Å; E210-R269 PolarHBondContact OE2-NE 3.47Å; E210-R269 IonicContact OE2-NH2 3.9Å; E210-R269 PolarHBondContact OE2-NH2 3.05Å; E210-S270 WeakPolarHBondContact CG-OG 3.06Å; E210-S270 PolarHBondContact OE1-OG 2.97Å
211A98Very high96.8Very high14 Ų1422.6 Ų22.612%0.11611%0.112CC..Hα-helixtrans-61.3-26.6-176.900000113.2L162 A166 L207 L208L162-A211 HydrophobicContact CD2-CB 4.18Å; L162-A211 HydrophobicContact CG-CB 3.85Å; A166-A211 HydrophobicContact CB-CB 3.99Å; L207-A211 WeakPolarHBondContact O-CB 3.17Å; L207-A211 PolarHBondContact O-N 2.75Å; L208-A211 PolarHBondContact O-N 3.1Å
212L97.6Very high96.3Very high12 Ų1226.2 Ų26.26%0.06313%0.131CC..THydrogen-bonded Turntrans-100.50.1179.7-65.3168.7000113.5L35 A166 L170 L171 L174 L208 A209 E210 A214L35-L212 HydrophobicContact CD2-CD1 3.6Å; A166-L212 HydrophobicContact CB-CD2 4.12Å; L170-L212 HydrophobicContact CD2-CD1 3.96Å; L170-L212 HydrophobicContact CD2-CD2 4.49Å; L170-L212 HydrophobicContact CG-CD1 4.48Å; L171-L212 HydrophobicContact CB-CD2 4.18Å; L171-L212 HydrophobicContact CD1-CD2 4.3Å; L174-L212 HydrophobicContact CD1-CD1 3.58Å; L174-L212 HydrophobicContact CD1-CD2 3.87Å; L174-L212 HydrophobicContact CD1-CG 4.33Å; L208-L212 VanDerWaalsContact O-CB 3.27Å; L208-L212 WeakPolarHBondContact O-CB 3.47Å; L208-L212 WeakPolarHBondContact O-CD1 3.48Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.11Å; A209-L212 PolarHBondContact O-N 3.31Å; E210-L212 PolarHBondContact O-N 3.42Å; E210-L212 VanDerWaalsContact O-N 3.16Å; L212-A214 PolarHBondContact O-N 3.35Å
213H96.5Very high95.9Very high163 Ų16328 Ų2876%0.75514%0.142SC*.THydrogen-bonded Turntrans49.446.8-171.1-55.9-62.1000112.4A209 E210A209-H213 PolarHBondContact O-N 3.29Å; E210-H213 PolarHBondContact O-N 3.01Å
214A97.9Very high95.7Very high6 Ų626.9 Ų26.95%0.0514%0.142CC..  trans-61.8149.4178.200000111.5I4 V6 A209 L212 I272I4-A214 HydrophobicContact CB-CB 4.47Å; I4-A214 HydrophobicContact CG2-CB 4.29Å; I4-A214 CarbonylContact O-C 3.53Å; I4-A214 WeakPolarHBondContact O-CA 3.36Å; I4-A214 WeakPolarHBondContact O-CB 3.39Å; V6-A214 HydrophobicContact CG2-CB 3.88Å; A209-A214 HydrophobicContact CB-CB 3.75Å; A209-A214 WeakPolarHBondContact O-CB 3.46Å; A209-A214 PolarHBondContact O-N 3.11Å; L212-A214 PolarHBondContact O-N 3.35Å; A214-I272 WeakPolarHBondContact O-CG1 3.12Å
215S97.2Very high95.4Very high45 Ų4527.3 Ų27.332%0.31515%0.145SC..SBendtrans-79.1-24.9178.256.60000113I4 P273I4-S215 PolarHBondContact O-N 3.4Å; I4-S215 PolarHBondContact O-OG 3.02Å; S215-P273 VanDerWaalsContact O-CD 3.29Å; S215-P273 WeakPolarHBondContact O-CD 3.43Å; S215-P273 WeakPolarHBondContact O-CG 3.23Å
216R97.3Very high95.2Very high70 Ų7027.5 Ų27.526%0.26415%0.147SC..EExtended strand (participates in β ladder)trans-160.1151.9-178.8-166.5175.972.3-149.4-1111.1V5 V6 D30 D218 P273V5-R216 WeakPolarHBondContact CA-O 3.44Å; V5-R216 HydrophobicContact CG1-CB 4.38Å; V5-R216 HydrophobicContact CG2-CB 4.19Å; V6-R216 PolarHBondContact N-O 2.85Å; V6-R216 VanDerWaalsContact N-O 3.08Å; D30-R216 IonicContact OD2-CZ 3.7Å; D30-R216 IonicContact OD2-NH2 2.71Å; D30-R216 PolarHBondContact OD2-NH2 2.69Å; R216-D218 WeakPolarHBondContact CD-OD1 3.47Å; R216-D218 IonicContact CZ-OD1 3.37Å; R216-D218 IonicContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.36Å; R216-D218 PolarHBondContact NE-OD1 3.33Å; R216-D218 IonicContact NE-OD2 3.02Å; R216-D218 IonicContact NH2-OD1 3.77Å; R216-D218 PolarHBondContact NH2-OD1 2.87Å; R216-D218 IonicContact NH2-OD2 2.65Å; R216-D218 PolarHBondContact NH2-OD2 2.97Å; R216-P273 WeakPolarHBondContact CA-O 3.35Å; R216-P273 HydrophobicContact CB-CG 4.41Å; R216-P273 HydrophobicContact CG-CG 4.27Å; R216-P273 WeakPolarHBondContact CG-O 3.2Å
217V98Very high95Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-109.4127.9164.4-178.90000109.3V6 A205 A209 I219 I272 P273 V274 F275V6-V217 CarbonylContact O-C 3.5Å; V6-V217 WeakPolarHBondContact O-CA 3.5Å; A205-V217 HydrophobicContact CB-CG1 4.09Å; A209-V217 HydrophobicContact CB-CG2 3.3Å; V217-I219 HydrophobicContact CG1-CD1 3.6Å; V217-I219 HydrophobicContact CG1-CG1 4.21Å; V217-I272 HydrophobicContact CG2-CG2 4.08Å; V217-P273 PolarHBondContact N-O 3.47Å; V217-V274 HydrophobicContact CB-CG1 4.28Å; V217-V274 HydrophobicContact CB-CG2 4.17Å; V217-V274 HydrophobicContact CG1-CG1 4.4Å; V217-V274 CarbonylContact O-C 3.52Å; V217-V274 VanDerWaalsContact O-CA 3.26Å; V217-V274 WeakPolarHBondContact O-CA 3.3Å; V217-F275 PolarHBondContact O-N 2.77Å
218D97.5Very high94.8Very high4 Ų430.6 Ų30.62%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-103.8118.4173.5-64.2-11.4000109.7V5 V6 S7 K8 R216 F275V5-D218 WeakPolarHBondContact CG1-OD2 3.48Å; V6-D218 PolarHBondContact O-N 3.4Å; S7-D218 CarbonylContact C-O 3.51Å; S7-D218 WeakPolarHBondContact CA-O 3.43Å; K8-D218 PolarHBondContact N-O 3.14Å; R216-D218 WeakPolarHBondContact CD-OD1 3.47Å; R216-D218 IonicContact CZ-OD1 3.37Å; R216-D218 IonicContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.36Å; R216-D218 PolarHBondContact NE-OD1 3.33Å; R216-D218 IonicContact NE-OD2 3.02Å; R216-D218 IonicContact NH2-OD1 3.77Å; R216-D218 PolarHBondContact NH2-OD1 2.87Å; R216-D218 IonicContact NH2-OD2 2.65Å; R216-D218 PolarHBondContact NH2-OD2 2.97Å; D218-F275 CarbonylContact C-O 3.56Å; D218-F275 HydrophobicContact CB-CD1 4.46Å; D218-F275 WeakPolarHBondContact OD1-CB 3.37Å
219I95.9Very high94.6Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-103.4108.1172.6-49.8-61.5000109.4K8 D202 A205 V217 T221 L259 V274 F275 V276 G277K8-I219 HydrophobicContact CB-CD1 3.77Å; K8-I219 HydrophobicContact CD-CD1 4.26Å; K8-I219 HydrophobicContact CD-CG2 4.06Å; K8-I219 HydrophobicContact CG-CD1 4.35Å; D202-I219 HydrophobicContact CB-CD1 4.45Å; A205-I219 HydrophobicContact CB-CD1 4.38Å; V217-I219 HydrophobicContact CG1-CD1 3.6Å; V217-I219 HydrophobicContact CG1-CG1 4.21Å; I219-T221 HydrophobicContact CG2-CG2 3.86Å; I219-L259 HydrophobicContact CB-CD1 4.45Å; I219-L259 HydrophobicContact CB-CD2 4.13Å; I219-L259 HydrophobicContact CG1-CD1 4.06Å; I219-L259 HydrophobicContact CG1-CD2 4.01Å; I219-L259 HydrophobicContact CG2-CD2 3.65Å; I219-V274 HydrophobicContact CG1-CG1 3.73Å; I219-F275 PolarHBondContact N-O 2.88Å; I219-V276 WeakPolarHBondContact O-CA 3.45Å; I219-G277 PolarHBondContact O-N 3.03Å
220W95.6Very high94.3Very high19 Ų1933.3 Ų33.37%0.07218%0.175CC..EExtended strand (participates in β ladder)trans-95.2120.4178.1-63.498.7000110.8K8 F9 G10 S13 I26 F275 P282K8-W220 WeakPolarHBondContact O-CB 3.26Å; K8-W220 PolarHBondContact O-N 3.18Å; F9-W220 HydrophobicContact CD1-CB 3.47Å; F9-W220 VanDerWaalsContact CD1-CB 3.47Å; F9-W220 AromaticContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CD1-CG 3.88Å; F9-W220 HydrophobicContact CE1-CB 3.62Å; F9-W220 AromaticContact CE1-CD1 3.49Å; F9-W220 VanDerWaalsContact CE1-CD1 3.49Å; F9-W220 HydrophobicContact CE1-CD2 4.27Å; F9-W220 AromaticContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CE1-CG 3.49Å; F9-W220 VanDerWaalsContact CE1-CG 3.49Å; F9-W220 HydrophobicContact CG-CB 4.23Å; F9-W220 HydrophobicContact CZ-CB 4.46Å; F9-W220 AromaticContact CZ-CD1 3.48Å; F9-W220 VanDerWaalsContact CZ-CD1 3.48Å; F9-W220 AromaticContact CZ-CG 3.98Å; F9-W220 HydrophobicContact CZ-CG 3.98Å; F9-W220 AromaticContact CZ-NE1 3.95Å; G10-W220 PolarHBondContact N-O 3.31Å; G10-W220 VanDerWaalsContact N-O 3.1Å; S13-W220 PolarHBondContact OG-O 3.41Å; I26-W220 HydrophobicContact CD1-CD2 4.37Å; I26-W220 HydrophobicContact CD1-CE3 4.11Å; I26-W220 HydrophobicContact CD1-CZ3 4.31Å; I26-W220 HydrophobicContact CG2-CD2 3.92Å; I26-W220 HydrophobicContact CG2-CE3 4.39Å; I26-W220 HydrophobicContact CG2-CH2 3.86Å; I26-W220 HydrophobicContact CG2-CZ2 3.34Å; I26-W220 HydrophobicContact CG2-CZ3 4.36Å; W220-F275 HydrophobicContact CH2-CD1 4.48Å; W220-F275 AromaticContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CZ2-CD1 4.33Å; W220-F275 AromaticContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ3-CE1 4.05Å; W220-P282 HydrophobicContact CH2-CB 4.07Å; W220-P282 HydrophobicContact CZ3-CB 3.81Å
221T90Very high94Very high32 Ų3234.6 Ų34.620%0.19619%0.185CC..EExtended strand (participates in β ladder)trans-125.8-166.7-175.579.60000110.9I219 V223 V276 G277 S278 S279I219-T221 HydrophobicContact CG2-CG2 3.86Å; T221-V223 PolarHBondContact OG1-N 3.02Å; T221-V223 PolarHBondContact OG1-O 3.45Å; T221-V223 VanDerWaalsContact OG1-O 3.11Å; T221-V276 HydrophobicContact CG2-CG1 4.47Å; T221-G277 PolarHBondContact N-O 2.95Å; T221-G277 PolarHBondContact OG1-O 3.07Å; T221-S278 WeakPolarHBondContact O-CA 3.44Å; T221-S279 PolarHBondContact O-N 3.48Å
222D85.6Confident93.6Very high86 Ų8642.9 Ų42.946%0.4621%0.214SC..SBendtrans-87.9-14.1174.660.2-25.5000114.2S278D222-S278 PolarHBondContact O-OG 3.09Å
223V85.3Confident93.4Very high58 Ų5842.7 Ų42.735%0.35221%0.213SC..SBendtrans-113.2137.7-178.7-1760000110.4T221 G225 Y227 G277T221-V223 PolarHBondContact OG1-N 3.02Å; T221-V223 PolarHBondContact OG1-O 3.45Å; T221-V223 VanDerWaalsContact OG1-O 3.11Å; V223-G225 PolarHBondContact O-N 3.43Å; V223-Y227 HydrophobicContact CG1-CD2 4.11Å; V223-Y227 HydrophobicContact CG1-CE2 3.88Å; V223-G277 CarbonylContact O-C 3.54Å
224P90.5Very high93.3Very high26 Ų2635.4 Ų35.417%0.16918%0.18CC..SBendtrans-80.862.5-173.832.9-36.2000112.4Y227 R239 A284P224-Y227 HydrophobicContact CG-CE2 4.28Å; P224-Y227 WeakPolarHBondContact CG-OH 3.21Å; P224-R239 WeakPolarHBondContact O-CD 3.34Å; P224-A284 HydrophobicContact CB-CB 3.8Å
225G92.3Very high93.1Very high8 Ų840.9 Ų40.98%0.08222%0.218CC..SBendtrans104.7-169.3177.900000114.3V223 V276V223-G225 PolarHBondContact O-N 3.43Å; G225-V276 WeakPolarHBondContact CA-O 3.17Å
226I93Very high93.1Very high5 Ų540.5 Ų40.53%0.02622%0.217CC..  trans-95.9134.2178.9-59.2174000108.2I240 I243 M251 V258 T287 V289I226-I240 HydrophobicContact CG2-CD1 4.1Å; I226-I240 PolarHBondContact O-N 3.5Å; I226-I243 HydrophobicContact CD1-CG2 4.2Å; I226-M251 HydrophobicContact CG2-CE 3.41Å; I226-M251 VanDerWaalsContact CG2-CE 3.41Å; I226-M251 HydrophobicContact CG2-SD 3.91Å; I226-V258 HydrophobicContact CG1-CG1 4.13Å; I226-V258 HydrophobicContact CG2-CG1 4.18Å; I226-T287 HydrophobicContact CB-CG2 4.11Å; I226-T287 HydrophobicContact CD1-CG2 4.12Å; I226-T287 HydrophobicContact CG1-CG2 4.28Å; I226-T287 PolarHBondContact N-OG1 3.42Å; I226-T287 PolarHBondContact O-OG1 2.98Å; I226-V289 HydrophobicContact CD1-CG2 4.03Å
227Y93.4Very high93Very high53 Ų5337.8 Ų37.821%0.20821%0.21CC..BIsolated β-bridgetrans-112157.6-176.8-78-107.9000111.4V223 P224 T229 P231 A237 K238 R239 M251V223-Y227 HydrophobicContact CG1-CD2 4.11Å; V223-Y227 HydrophobicContact CG1-CE2 3.88Å; P224-Y227 HydrophobicContact CG-CE2 4.28Å; P224-Y227 WeakPolarHBondContact CG-OH 3.21Å; Y227-T229 WeakPolarHBondContact CB-O 3.3Å; Y227-T229 PolarHBondContact O-N 3.08Å; Y227-T229 VanDerWaalsContact O-N 3.14Å; Y227-P231 HydrophobicContact CD1-CG 3.6Å; Y227-P231 HydrophobicContact CD2-CG 4.25Å; Y227-P231 HydrophobicContact CE1-CG 4Å; Y227-P231 HydrophobicContact CG-CG 3.73Å; Y227-A237 HydrophobicContact CD1-CB 4.27Å; Y227-K238 CarbonylContact C-O 3.5Å; Y227-K238 VanDerWaalsContact CA-O 3.29Å; Y227-K238 WeakPolarHBondContact CA-O 3.43Å; Y227-K238 VanDerWaalsContact CD1-C 3.48Å; Y227-R239 HydrophobicContact CD1-CB 4.36Å; Y227-R239 HydrophobicContact CE1-CB 4.05Å; Y227-R239 HydrophobicContact CE2-CB 4.27Å; Y227-R239 HydrophobicContact CE2-CG 4.31Å; Y227-M251 WeakPolarHBondContact O-CE 3.44Å
228T95.1Very high92.8Very high12 Ų1242.9 Ų42.97%0.07423%0.232CC..SBendtrans-58.7-21.8174.852.70000112.8K238 I240 A301 L302 H444 F448T228-K238 HydrophobicContact CG2-CB 4.23Å; T228-K238 PolarHBondContact N-O 3.32Å; T228-K238 PolarHBondContact OG1-N 3.17Å; T228-K238 PolarHBondContact OG1-O 3.01Å; T228-I240 HydrophobicContact CG2-CG1 4.15Å; T228-A301 CarbonylContact O-C 3.52Å; T228-A301 WeakPolarHBondContact O-CA 3.01Å; T228-A301 WeakPolarHBondContact O-CB 3.34Å; T228-L302 PolarHBondContact O-N 2.89Å; T228-H444 PolarHBondContact OG1-NE2 3.45Å; T228-F448 HydrophobicContact CG2-CD1 3.95Å; T228-F448 HydrophobicContact CG2-CE1 4.32Å
229T93.9Very high92.6Very high8 Ų846.3 Ų46.35%0.04925%0.245CC..SBendtrans-164.7178.8166.7-172.80000108.8Y227 P231 V234 A237 L302 V440Y227-T229 WeakPolarHBondContact CB-O 3.3Å; Y227-T229 PolarHBondContact O-N 3.08Å; Y227-T229 VanDerWaalsContact O-N 3.14Å; T229-P231 WeakPolarHBondContact O-CD 3.3Å; T229-V234 HydrophobicContact CG2-CB 3.64Å; T229-V234 HydrophobicContact CG2-CG2 3.68Å; T229-A237 HydrophobicContact CG2-CB 3.79Å; T229-L302 WeakPolarHBondContact CA-O 3.37Å; T229-L302 PolarHBondContact OG1-O 3.23Å; T229-V440 WeakPolarHBondContact OG1-CG1 3.27Å
230D91.5Very high92.6Very high50 Ų5046.8 Ų46.827%0.26725%0.247SC..  trans-62.9117.4174.4-171.4-26.7000110.2R232 V233 V234D230-R232 PolarHBondContact O-N 3.04Å; D230-R232 VanDerWaalsContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 WeakPolarHBondContact OD1-CG 3.29Å; D230-R232 IonicContact OD1-CZ 3.39Å; D230-R232 PolarHBondContact OD1-N 3.17Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.75Å; D230-R232 IonicContact OD2-CZ 3.49Å; D230-R232 IonicContact OD2-NE 3.49Å; D230-R232 PolarHBondContact OD2-NE 3.45Å; D230-R232 IonicContact OD2-NH2 2.72Å; D230-R232 PolarHBondContact OD2-NH2 2.67Å; D230-V233 HydrophobicContact CB-CB 4.38Å; D230-V233 HydrophobicContact CB-CG2 3.98Å; D230-V233 WeakPolarHBondContact O-CB 3.37Å; D230-V233 PolarHBondContact O-N 3.37Å; D230-V234 PolarHBondContact O-N 2.84Å; D230-V234 VanDerWaalsContact O-N 3.1Å
231P91.2Very high92.5Very high55 Ų5550.5 Ų50.536%0.35727%0.269SS..THydrogen-bonded Turntrans-62.3-15.8-178.9-23.935.6000114.4Y227 T229 V234 A237Y227-P231 HydrophobicContact CD1-CG 3.6Å; Y227-P231 HydrophobicContact CD2-CG 4.25Å; Y227-P231 HydrophobicContact CE1-CG 4Å; Y227-P231 HydrophobicContact CG-CG 3.73Å; T229-P231 WeakPolarHBondContact O-CD 3.3Å; P231-V234 WeakPolarHBondContact CA-O 3.39Å; P231-V234 CarbonylContact O-C 3.44Å; P231-A237 HydrophobicContact CB-CB 4.26Å; P231-A237 HydrophobicContact CG-CB 4.15Å
232R90.6Very high92.8Very high188 Ų18853.9 Ų53.971%0.70928%0.282SS*.THydrogen-bonded Turntrans-77.4-23173.1-59.5172.3-67.4-163-3.8112.7D230D230-R232 PolarHBondContact O-N 3.04Å; D230-R232 VanDerWaalsContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 WeakPolarHBondContact OD1-CG 3.29Å; D230-R232 IonicContact OD1-CZ 3.39Å; D230-R232 PolarHBondContact OD1-N 3.17Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.75Å; D230-R232 IonicContact OD2-CZ 3.49Å; D230-R232 IonicContact OD2-NE 3.49Å; D230-R232 PolarHBondContact OD2-NE 3.45Å; D230-R232 IonicContact OD2-NH2 2.72Å; D230-R232 PolarHBondContact OD2-NH2 2.67Å
233V92.7Very high93.1Very high9 Ų949.8 Ų49.86%0.05526%0.26CS..THydrogen-bonded Turntrans-90.1-41.1176.41800000110.3D230 L304 E437 V440 Q441D230-V233 HydrophobicContact CB-CB 4.38Å; D230-V233 HydrophobicContact CB-CG2 3.98Å; D230-V233 WeakPolarHBondContact O-CB 3.37Å; D230-V233 PolarHBondContact O-N 3.37Å; V233-L304 HydrophobicContact CG2-CD2 4.48Å; V233-E437 HydrophobicContact CG1-CB 4.13Å; V233-E437 HydrophobicContact CG1-CG 4.14Å; V233-V440 HydrophobicContact CG1-CB 4.17Å; V233-V440 HydrophobicContact CG1-CG1 3.96Å; V233-Q441 WeakPolarHBondContact O-CG 3.29Å; V233-Q441 PolarHBondContact O-NE2 3.17Å
234V95.5Very high93.5Very high10 Ų1047.5 Ų47.56%0.06125%0.247CC..  trans-130.1111.8178.2-172.90000109.8T229 D230 P231 A236 A237 V440 Q441 H444T229-V234 HydrophobicContact CG2-CB 3.64Å; T229-V234 HydrophobicContact CG2-CG2 3.68Å; D230-V234 PolarHBondContact O-N 2.84Å; D230-V234 VanDerWaalsContact O-N 3.1Å; P231-V234 WeakPolarHBondContact CA-O 3.39Å; P231-V234 CarbonylContact O-C 3.44Å; V234-A236 HydrophobicContact CG1-CB 4.18Å; V234-A236 PolarHBondContact O-N 3.42Å; V234-A237 WeakPolarHBondContact O-CB 3.35Å; V234-A237 PolarHBondContact O-N 3.19Å; V234-V440 HydrophobicContact CG2-CG1 4.03Å; V234-Q441 HydrophobicContact CG2-CB 4.43Å; V234-Q441 HydrophobicContact CG2-CG 3.84Å; V234-H444 HydrophobicContact CG1-CB 4.1Å; V234-H444 HydrophobicContact CG2-CB 4.05Å
235S93.9Very high93.5Very high121 Ų12147 Ų4785%0.84624%0.243SC*.THydrogen-bonded Turntrans-65.3-24.2-179.754.70000113.7A237S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.07Å
236A96Very high93.3Very high36 Ų3649 Ų4930%0.29826%0.258SS..THydrogen-bonded Turntrans-82.13.1175.100000113.8V234 K238 H444 E449V234-A236 HydrophobicContact CG1-CB 4.18Å; V234-A236 PolarHBondContact O-N 3.42Å; A236-K238 PolarHBondContact O-N 3.29Å; A236-H444 PolarHBondContact O-CE1 3.19Å; A236-E449 HydrophobicContact CB-CG 4.23Å; A236-E449 VanDerWaalsContact CB-OE1 3.27Å; A236-E449 WeakPolarHBondContact CB-OE1 3.27Å
237A94.7Very high93.1Very high13 Ų1348.7 Ų48.711%0.10726%0.257CS..PPolyproline II helixtrans-54.8131.4176.300000111Y227 T229 P231 V234 S235Y227-A237 HydrophobicContact CD1-CB 4.27Å; T229-A237 HydrophobicContact CG2-CB 3.79Å; P231-A237 HydrophobicContact CB-CB 4.26Å; P231-A237 HydrophobicContact CG-CB 4.15Å; V234-A237 WeakPolarHBondContact O-CB 3.35Å; V234-A237 PolarHBondContact O-N 3.19Å; S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.07Å
238K94.4Very high92.9Very high107 Ų10746.6 Ų46.647%0.46525%0.25SC..PPolyproline II helixtrans-103.5143.2-176.9-63.6173.1-174.6162.80109.4Y227 T228 A236 F448Y227-K238 CarbonylContact C-O 3.5Å; Y227-K238 VanDerWaalsContact CA-O 3.29Å; Y227-K238 WeakPolarHBondContact CA-O 3.43Å; Y227-K238 VanDerWaalsContact CD1-C 3.48Å; T228-K238 HydrophobicContact CG2-CB 4.23Å; T228-K238 PolarHBondContact N-O 3.32Å; T228-K238 PolarHBondContact OG1-N 3.17Å; T228-K238 PolarHBondContact OG1-O 3.01Å; A236-K238 PolarHBondContact O-N 3.29Å; K238-F448 PolarHBondContact NZ-O 3.32Å
239R94.3Very high92.5Very high77 Ų7747.1 Ų47.129%0.29126%0.256SS..BIsolated β-bridgetrans-69.3138.6169.5-172.2-171.266.7-153.9-2.3109P224 Y227 D241 A284 G286P224-R239 WeakPolarHBondContact O-CD 3.34Å; Y227-R239 HydrophobicContact CD1-CB 4.36Å; Y227-R239 HydrophobicContact CE1-CB 4.05Å; Y227-R239 HydrophobicContact CE2-CB 4.27Å; Y227-R239 HydrophobicContact CE2-CG 4.31Å; R239-D241 IonicContact CZ-OD1 3.43Å; R239-D241 VanDerWaalsContact CZ-OD1 3.32Å; R239-D241 IonicContact NE-OD1 2.67Å; R239-D241 PolarHBondContact NE-OD1 3.26Å; R239-D241 IonicContact NH2-OD1 3.37Å; R239-D241 PolarHBondContact NH2-OD1 3.04Å; R239-A284 PolarHBondContact NH1-O 2.76Å; R239-G286 PolarHBondContact NE-O 3.22Å
240I94.4Very high92.2Very high10 Ų1048.2 Ų48.25%0.05126%0.26CS..PPolyproline II helixtrans-87.9118.2171-58.2168.3000107.4I226 T228 E242 I243 M251 T287 R300 A301I226-I240 HydrophobicContact CG2-CD1 4.1Å; I226-I240 PolarHBondContact O-N 3.5Å; T228-I240 HydrophobicContact CG2-CG1 4.15Å; I240-E242 VanDerWaalsContact CG2-O 3.24Å; I240-E242 WeakPolarHBondContact CG2-O 3.45Å; I240-I243 HydrophobicContact CD1-CD1 4.25Å; I240-I243 HydrophobicContact CG2-CB 3.93Å; I240-M251 HydrophobicContact CD1-CE 4.49Å; I240-M251 HydrophobicContact CD1-SD 4.41Å; I240-T287 VanDerWaalsContact O-CB 3.23Å; I240-T287 WeakPolarHBondContact O-CB 3.04Å; I240-T287 WeakPolarHBondContact O-CG2 3.48Å; I240-T287 PolarHBondContact O-OG1 3.45Å; I240-R300 HydrophobicContact CD1-CG 4.19Å; I240-A301 HydrophobicContact CD1-CB 4.35Å
241D94.6Very high92Very high97 Ų9746 Ų4652%0.51925%0.248SC..SBendtrans-75.1-39.8-179.5-66.2-34.9000111.8R239 T287 L288R239-D241 IonicContact CZ-OD1 3.43Å; R239-D241 VanDerWaalsContact CZ-OD1 3.32Å; R239-D241 IonicContact NE-OD1 2.67Å; R239-D241 PolarHBondContact NE-OD1 3.26Å; R239-D241 IonicContact NH2-OD1 3.37Å; R239-D241 PolarHBondContact NH2-OD1 3.04Å; D241-T287 CarbonylContact O-C 3.52Å; D241-T287 WeakPolarHBondContact O-CA 3.37Å; D241-L288 PolarHBondContact O-N 3.39Å
242E95.1Very high91.7Very high103 Ų10344.2 Ų44.248%0.48124%0.238SC..EExtended strand (participates in β ladder)trans-134.7134.1177.3-64.6-175.9-164.700111.7I240 L288 T293 R300I240-E242 VanDerWaalsContact CG2-O 3.24Å; I240-E242 WeakPolarHBondContact CG2-O 3.45Å; E242-L288 WeakPolarHBondContact CA-O 3.38Å; E242-L288 HydrophobicContact CG-CB 4.35Å; E242-T293 HydrophobicContact CB-CG2 4.26Å; E242-R300 PolarHBondContact O-NH1 2.86Å
243I93.8Very high91.2Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-140.9143.5-179.9-168.4170.2000111.1I226 I240 E247 A248 M251 T287 L288 V289 C290 T293 R300I226-I243 HydrophobicContact CD1-CG2 4.2Å; I240-I243 HydrophobicContact CD1-CD1 4.25Å; I240-I243 HydrophobicContact CG2-CB 3.93Å; I243-E247 HydrophobicContact CD1-CB 3.89Å; I243-E247 HydrophobicContact CG1-CB 3.67Å; I243-A248 HydrophobicContact CD1-CB 4.2Å; I243-A248 HydrophobicContact CG2-CB 4.38Å; I243-M251 HydrophobicContact CD1-SD 3.5Å; I243-M251 VanDerWaalsContact CD1-SD 3.5Å; I243-T287 HydrophobicContact CB-CG2 4.33Å; I243-T287 HydrophobicContact CG2-CG2 3.54Å; I243-L288 PolarHBondContact N-O 3.38Å; I243-V289 HydrophobicContact CG2-CB 4.22Å; I243-V289 HydrophobicContact CG2-CG1 4.14Å; I243-V289 HydrophobicContact CG2-CG2 3.78Å; I243-V289 VanDerWaalsContact O-CA 3.3Å; I243-V289 WeakPolarHBondContact O-CA 2.93Å; I243-C290 PolarHBondContact O-N 3.31Å; I243-T293 VanDerWaalsContact C-CG2 3.41Å; I243-R300 HydrophobicContact CD1-CG 4.15Å
244A92.5Very high90.7Very high10 Ų1038.6 Ų38.68%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-78.1150.3174.700000111A246 E247 A248 C290 T293A244-A246 PolarHBondContact O-N 3.39Å; A244-E247 HydrophobicContact CB-CG 4.17Å; A244-E247 VanDerWaalsContact CB-OE2 3.3Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.88Å; A244-E247 PolarHBondContact O-N 2.72Å; A244-A248 PolarHBondContact O-N 3.21Å; A244-C290 CarbonylContact C-O 3.57Å; A244-C290 WeakPolarHBondContact CA-O 3.42Å; A244-T293 HydrophobicContact CB-CG2 4.23Å
245F91.1Very high89.6Confident16 Ų1639.3 Ų39.37%0.0723%0.233CC..Hα-helixtrans-54.9-38.3176.1-77.4-59.9000112.3E247 A248 A249 L264 A267 V268 V274 V289 C290 N291F245-E247 VanDerWaalsContact C-N 3.34Å; F245-E247 PolarHBondContact O-N 2.75Å; F245-A248 PolarHBondContact O-N 3.46Å; F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 2.89Å; F245-L264 HydrophobicContact CD1-CB 4.4Å; F245-L264 HydrophobicContact CD1-CD1 4.19Å; F245-L264 HydrophobicContact CE1-CB 4.12Å; F245-L264 HydrophobicContact CE1-CD1 3.98Å; F245-A267 HydrophobicContact CZ-CB 4.28Å; F245-V268 HydrophobicContact CB-CG2 3.95Å; F245-V268 HydrophobicContact CD1-CG2 3.59Å; F245-V268 HydrophobicContact CD2-CB 3.98Å; F245-V268 HydrophobicContact CD2-CG1 3.94Å; F245-V268 HydrophobicContact CD2-CG2 3.43Å; F245-V268 VanDerWaalsContact CD2-CG2 3.43Å; F245-V268 HydrophobicContact CE1-CG2 3.89Å; F245-V268 HydrophobicContact CE2-CB 4.21Å; F245-V268 HydrophobicContact CE2-CG2 3.77Å; F245-V268 HydrophobicContact CG-CB 4.38Å; F245-V268 HydrophobicContact CG-CG1 4.4Å; F245-V268 HydrophobicContact CG-CG2 3.39Å; F245-V268 HydrophobicContact CZ-CG2 3.99Å; F245-V274 HydrophobicContact CE1-CB 4.44Å; F245-V274 HydrophobicContact CE1-CG2 3.9Å; F245-V274 HydrophobicContact CZ-CG2 3.88Å; F245-V289 HydrophobicContact CD1-CB 4.42Å; F245-V289 HydrophobicContact CD1-CG1 3.31Å; F245-V289 HydrophobicContact CE1-CB 4.12Å; F245-V289 HydrophobicContact CE1-CG1 3.48Å; F245-V289 VanDerWaalsContact CE1-CG1 3.48Å; F245-V289 HydrophobicContact CG-CG1 4.03Å; F245-V289 HydrophobicContact CZ-CG1 4.31Å; F245-C290 WeakPolarHBondContact CD2-O 3.21Å; F245-C290 PolarHBondContact N-O 3.25Å; F245-N291 HydrophobicContact CD2-CB 4.25Å; F245-N291 HydrophobicContact CE2-CB 4.49Å
246A87.3Confident88.4Confident48 Ų4834.7 Ų34.740%0.39720%0.202SC..Hα-helixtrans-60.5-43.6177.500000111.8A244 A249 E250A244-A246 PolarHBondContact O-N 3.39Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-CG 3.28Å; A246-E250 WeakPolarHBondContact O-CG 3.33Å; A246-E250 PolarHBondContact O-N 3.4Å; A246-E250 VanDerWaalsContact O-N 3.14Å
247E89.4Confident87.2Confident0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-71-45-179.9-55.9171.698.300111.4I243 A244 F245 A249 E250 M251 R300 I392 N394I243-E247 HydrophobicContact CD1-CB 3.89Å; I243-E247 HydrophobicContact CG1-CB 3.67Å; A244-E247 HydrophobicContact CB-CG 4.17Å; A244-E247 VanDerWaalsContact CB-OE2 3.3Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.88Å; A244-E247 PolarHBondContact O-N 2.72Å; F245-E247 VanDerWaalsContact C-N 3.34Å; F245-E247 PolarHBondContact O-N 2.75Å; E247-A249 PolarHBondContact O-N 3.49Å; E247-E250 PolarHBondContact O-N 2.76Å; E247-M251 WeakPolarHBondContact O-CG 3.24Å; E247-M251 PolarHBondContact O-N 2.96Å; E247-R300 HydrophobicContact CB-CG 4.5Å; E247-R300 VanDerWaalsContact CD-NH2 3.3Å; E247-R300 WeakPolarHBondContact OE1-CG 3.42Å; E247-R300 IonicContact OE1-CZ 2.79Å; E247-R300 VanDerWaalsContact OE1-CZ 3.26Å; E247-R300 IonicContact OE1-NE 3.69Å; E247-R300 PolarHBondContact OE1-NE 3.45Å; E247-R300 IonicContact OE1-NH2 3.73Å; E247-R300 PolarHBondContact OE1-NH2 3.09Å; E247-R300 IonicContact OE2-CZ 3.63Å; E247-R300 IonicContact OE2-NE 3.18Å; E247-R300 PolarHBondContact OE2-NE 3.21Å; E247-R300 IonicContact OE2-NH2 2.71Å; E247-R300 PolarHBondContact OE2-NH2 3.05Å; E247-I392 HydrophobicContact CB-CG2 4.41Å; E247-N394 WeakPolarHBondContact CG-OD1 3.41Å; E247-N394 PolarHBondContact OE1-ND2 2.94Å; E247-N394 PolarHBondContact OE1-OD1 2.97Å
248A89.5Confident85.9Confident8 Ų843.9 Ų43.97%0.06624%0.236CC..Hα-helixtrans-58.8-32.8173.200000111.1I243 A244 F245 M251 A252 V289I243-A248 HydrophobicContact CD1-CB 4.2Å; I243-A248 HydrophobicContact CG2-CB 4.38Å; A244-A248 PolarHBondContact O-N 3.21Å; F245-A248 PolarHBondContact O-N 3.46Å; A248-M251 PolarHBondContact O-N 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å; A248-V289 HydrophobicContact CB-CG1 4.12Å
249A87Confident85Confident24 Ų2439.5 Ų39.520%0.19822%0.218CC..Hα-helixtrans-66.4-45.2178.200000113.6F245 A246 E247 M251 A252 T253 P261F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 2.89Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.31Å; E247-A249 PolarHBondContact O-N 3.49Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-A252 PolarHBondContact O-N 2.98Å; A249-T253 WeakPolarHBondContact O-CB 3.26Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 2.9Å; A249-P261 HydrophobicContact CB-CB 3.51Å; A249-P261 HydrophobicContact CB-CG 3.56Å
250E86.8Confident84.1Confident31 Ų3140 Ų4015%0.14522%0.224CC..Hα-helixtrans-62.1-43.3174.7-61.7-76.2-168.900110.4A246 E247 A252 T253 F254 I392 S423 H425 N426A246-E250 VanDerWaalsContact O-CG 3.28Å; A246-E250 WeakPolarHBondContact O-CG 3.33Å; A246-E250 PolarHBondContact O-N 3.4Å; A246-E250 VanDerWaalsContact O-N 3.14Å; E247-E250 PolarHBondContact O-N 2.76Å; E250-A252 PolarHBondContact O-N 2.86Å; E250-T253 PolarHBondContact O-N 2.84Å; E250-F254 WeakPolarHBondContact O-CD2 3.43Å; E250-F254 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact OE2-CE2 3.23Å; E250-F254 WeakPolarHBondContact OE2-CE2 3.5Å; E250-I392 HydrophobicContact CB-CG1 4.23Å; E250-I392 HydrophobicContact CB-CG2 3.96Å; E250-S423 VanDerWaalsContact OE1-CB 3.31Å; E250-S423 WeakPolarHBondContact OE1-CB 3.19Å; E250-S423 PolarHBondContact OE1-OG 2.79Å; E250-H425 HydrophobicContact CG-CB 3.75Å; E250-N426 VanDerWaalsContact CD-ND2 3.33Å; E250-N426 PolarHBondContact OE1-ND2 3.46Å; E250-N426 PolarHBondContact OE2-ND2 2.98Å
251M87.9Confident83Confident3 Ų340.8 Ų40.82%0.01523%0.23CC..Hα-helixtrans-58.7-47.5176.5-69.7-179.370.200112.5I226 Y227 I240 I243 E247 A248 A249 F254 G255 A256 V258 A301 I392I226-M251 HydrophobicContact CG2-CE 3.41Å; I226-M251 VanDerWaalsContact CG2-CE 3.41Å; I226-M251 HydrophobicContact CG2-SD 3.91Å; Y227-M251 WeakPolarHBondContact O-CE 3.44Å; I240-M251 HydrophobicContact CD1-CE 4.49Å; I240-M251 HydrophobicContact CD1-SD 4.41Å; I243-M251 HydrophobicContact CD1-SD 3.5Å; I243-M251 VanDerWaalsContact CD1-SD 3.5Å; E247-M251 WeakPolarHBondContact O-CG 3.24Å; E247-M251 PolarHBondContact O-N 2.96Å; A248-M251 PolarHBondContact O-N 3.26Å; A249-M251 VanDerWaalsContact C-N 3.33Å; M251-F254 CarbonylContact O-C 3.6Å; M251-F254 PolarHBondContact O-N 2.78Å; M251-G255 PolarHBondContact O-N 3.47Å; M251-G255 VanDerWaalsContact O-N 3.16Å; M251-A256 HydrophobicContact CB-CB 3.9Å; M251-A256 HydrophobicContact CE-CB 4.24Å; M251-A256 WeakPolarHBondContact O-CB 3.36Å; M251-A256 PolarHBondContact O-N 2.85Å; M251-V258 HydrophobicContact CB-CG2 4.34Å; M251-A301 HydrophobicContact CE-CB 3.53Å; M251-A301 HydrophobicContact CG-CB 4.18Å; M251-A301 HydrophobicContact SD-CB 3.71Å; M251-I392 HydrophobicContact CG-CB 4.18Å; M251-I392 HydrophobicContact CG-CD1 3.93Å; M251-I392 HydrophobicContact CG-CG1 3.81Å; M251-I392 HydrophobicContact CG-CG2 4.11Å
252A83.4Confident82.2Confident17 Ų1738.4 Ų38.414%0.1422%0.223CC..Hα-helixtrans-65.3-43.8-179.400000112.1A248 A249 E250 F254 G255 V258 L259 P261A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å; A249-A252 PolarHBondContact O-N 2.98Å; E250-A252 PolarHBondContact O-N 2.86Å; A252-F254 VanDerWaalsContact C-N 3.3Å; A252-F254 PolarHBondContact O-N 3.44Å; A252-G255 PolarHBondContact O-N 3.48Å; A252-V258 HydrophobicContact CB-CG2 3.75Å; A252-L259 VanDerWaalsContact CB-O 3.23Å; A252-L259 WeakPolarHBondContact CB-O 3.34Å; A252-P261 HydrophobicContact CB-CG 3.71Å
253T80.7Confident81.8Confident65 Ų6533.8 Ų33.840%0.39920%0.202SC..Hα-helixtrans-58.9-43.5178.7-560000110.8A249 E250 G255 R305A249-T253 WeakPolarHBondContact O-CB 3.26Å; A249-T253 PolarHBondContact O-N 3.26Å; A249-T253 PolarHBondContact O-OG1 2.9Å; E250-T253 PolarHBondContact O-N 2.84Å; T253-G255 VanDerWaalsContact C-N 3.35Å; T253-G255 PolarHBondContact O-N 3.4Å; T253-R305 PolarHBondContact O-NH1 2.84Å
254F82.5Confident81.5Confident15 Ų1534.1 Ų34.17%0.06620%0.204CC..THydrogen-bonded Turntrans-96.423.7-178.7-55.8-58.2000114.5E250 M251 A252 A303 R305 L341 L388 A390 N426E250-F254 WeakPolarHBondContact O-CD2 3.43Å; E250-F254 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact OE2-CE2 3.23Å; E250-F254 WeakPolarHBondContact OE2-CE2 3.5Å; M251-F254 CarbonylContact O-C 3.6Å; M251-F254 PolarHBondContact O-N 2.78Å; A252-F254 VanDerWaalsContact C-N 3.3Å; A252-F254 PolarHBondContact O-N 3.44Å; F254-A303 HydrophobicContact CB-CB 4.35Å; F254-A303 VanDerWaalsContact O-CB 3.28Å; F254-A303 WeakPolarHBondContact O-CB 3.46Å; F254-R305 WeakPolarHBondContact O-CD 3.31Å; F254-R305 VanDerWaalsContact O-CG 3.29Å; F254-R305 WeakPolarHBondContact O-CG 3.48Å; F254-L341 HydrophobicContact CD1-CD2 4.5Å; F254-L341 HydrophobicContact CE1-CD2 3.73Å; F254-L341 HydrophobicContact CZ-CD2 4.42Å; F254-L388 HydrophobicContact CD1-CD2 3.83Å; F254-A390 HydrophobicContact CB-CB 3.35Å; F254-A390 HydrophobicContact CD2-CB 3.89Å; F254-A390 HydrophobicContact CG-CB 3.7Å; F254-N426 HydrophobicContact CD2-CB 4.48Å; F254-N426 HydrophobicContact CE2-CB 3.98Å; F254-N426 WeakPolarHBondContact CE2-ND2 3.46Å
255G72.3Confident81.4Confident25 Ų2538.2 Ų38.226%0.25822%0.224SC..THydrogen-bonded Turntrans98.86.6157.400000117.9M251 A252 T253 K257M251-G255 PolarHBondContact O-N 3.47Å; M251-G255 VanDerWaalsContact O-N 3.16Å; A252-G255 PolarHBondContact O-N 3.48Å; T253-G255 VanDerWaalsContact C-N 3.35Å; T253-G255 PolarHBondContact O-N 3.4Å; G255-K257 PolarHBondContact O-N 3.11Å
256A69.5Low81.6Confident23 Ų2337.5 Ų37.519%0.1922%0.221CC..  trans-57.8128.3161.200000107.2M251 V258 A303M251-A256 HydrophobicContact CB-CB 3.9Å; M251-A256 HydrophobicContact CE-CB 4.24Å; M251-A256 WeakPolarHBondContact O-CB 3.36Å; M251-A256 PolarHBondContact O-N 2.85Å; A256-V258 HydrophobicContact CB-CB 4.4Å; A256-V258 HydrophobicContact CB-CG1 3.81Å; A256-V258 HydrophobicContact CB-CG2 3.81Å; A256-V258 PolarHBondContact O-N 3.23Å; A256-A303 HydrophobicContact CB-CB 4.29Å
257K69.2Low82Confident195 Ų19535.2 Ų35.285%0.84820%0.202SC*.SBendtrans-73.463.8173.1-69.6-174.9176.8-176.80109.2G255G255-K257 PolarHBondContact O-N 3.11Å
258V68.4Low82.1Confident47 Ų4736.9 Ų36.929%0.28521%0.212SC..SBendtrans-118.5-175.4-179-60.10000109.6I226 M251 A252 A256 H260I226-V258 HydrophobicContact CG1-CG1 4.13Å; I226-V258 HydrophobicContact CG2-CG1 4.18Å; M251-V258 HydrophobicContact CB-CG2 4.34Å; A252-V258 HydrophobicContact CB-CG2 3.75Å; A256-V258 HydrophobicContact CB-CB 4.4Å; A256-V258 HydrophobicContact CB-CG1 3.81Å; A256-V258 HydrophobicContact CB-CG2 3.81Å; A256-V258 PolarHBondContact O-N 3.23Å; V258-H260 PolarHBondContact O-N 2.94Å
259L74.5Confident82.3Confident15 Ų1542.7 Ų42.78%0.07923%0.232CC..  trans-59.7131178.6-60.4172.1000111.1D202 I219 A252 L264 V274 V276D202-L259 HydrophobicContact CB-CD2 4.39Å; I219-L259 HydrophobicContact CB-CD1 4.45Å; I219-L259 HydrophobicContact CB-CD2 4.13Å; I219-L259 HydrophobicContact CG1-CD1 4.06Å; I219-L259 HydrophobicContact CG1-CD2 4.01Å; I219-L259 HydrophobicContact CG2-CD2 3.65Å; A252-L259 VanDerWaalsContact CB-O 3.23Å; A252-L259 WeakPolarHBondContact CB-O 3.34Å; L259-L264 HydrophobicContact CB-CD1 3.75Å; L259-L264 HydrophobicContact CB-CD2 4.4Å; L259-L264 HydrophobicContact CB-CG 4.19Å; L259-L264 HydrophobicContact CD1-CD1 3.71Å; L259-L264 HydrophobicContact CD1-CD2 4.07Å; L259-L264 HydrophobicContact CD1-CG 4.42Å; L259-L264 HydrophobicContact CG-CD1 4.36Å; L259-V274 HydrophobicContact CD1-CG1 3.98Å; L259-V276 HydrophobicContact CD1-CG2 3.44Å; L259-V276 VanDerWaalsContact CD1-CG2 3.44Å; L259-V276 HydrophobicContact CG-CG2 4.34Å
260H75.3Confident82.7Confident88 Ų8843.7 Ų43.741%0.40724%0.237SC..  trans-70.2137.7175.8-172.7-80.1000110V258 A262 T263V258-H260 PolarHBondContact O-N 2.94Å; H260-A262 VanDerWaalsContact CE1-CB 3.47Å; H260-A262 WeakPolarHBondContact CE1-CB 3.42Å; H260-A262 WeakPolarHBondContact ND1-CB 3.4Å; H260-A262 PolarHBondContact ND1-N 3.21Å; H260-A262 PolarHBondContact O-N 3.33Å; H260-T263 HydrophobicContact CB-CG2 4.03Å; H260-T263 PolarHBondContact O-N 3.36Å; H260-T263 PolarHBondContact O-OG1 3.05Å
261P72.6Confident83.1Confident27 Ų2747.3 Ų47.318%0.17526%0.258CS..Hα-helixtrans-72.4-36.4-166.7-2139.1000111.8A249 A252 T263 L264 L265A249-P261 HydrophobicContact CB-CB 3.51Å; A249-P261 HydrophobicContact CB-CG 3.56Å; A252-P261 HydrophobicContact CB-CG 3.71Å; P261-T263 PolarHBondContact O-N 2.75Å; P261-T263 VanDerWaalsContact O-N 3.16Å; P261-L264 PolarHBondContact O-N 3.4Å; P261-L265 PolarHBondContact O-N 2.82Å
262A78.5Confident83.6Confident47 Ų4747.6 Ų47.639%0.38826%0.259SS..Hα-helixtrans-57.4-29174.400000112.5H260 L264 L265H260-A262 VanDerWaalsContact CE1-CB 3.47Å; H260-A262 WeakPolarHBondContact CE1-CB 3.42Å; H260-A262 WeakPolarHBondContact ND1-CB 3.4Å; H260-A262 PolarHBondContact ND1-N 3.21Å; H260-A262 PolarHBondContact O-N 3.33Å; A262-L264 VanDerWaalsContact C-N 3.29Å; A262-L265 HydrophobicContact CB-CD1 4.36Å
263T85.4Confident84.2Confident6 Ų648.5 Ų48.54%0.03726%0.264CS..Hα-helixtrans-79.2-15.517968.60000112.2Y203 A206 H260 P261Y203-T263 WeakPolarHBondContact CA-O 3.23Å; A206-T263 VanDerWaalsContact CB-O 3.28Å; A206-T263 WeakPolarHBondContact CB-O 3.48Å; H260-T263 HydrophobicContact CB-CG2 4.03Å; H260-T263 PolarHBondContact O-N 3.36Å; H260-T263 PolarHBondContact O-OG1 3.05Å; P261-T263 PolarHBondContact O-N 2.75Å; P261-T263 VanDerWaalsContact O-N 3.16Å
264L87.5Confident84.9Confident6 Ų645.4 Ų45.43%0.03125%0.245CC..Hα-helixtrans-101.2-6.3177-55.5-175.4000113.3F245 L259 P261 A262 P266 A267 V268 V274F245-L264 HydrophobicContact CD1-CB 4.4Å; F245-L264 HydrophobicContact CD1-CD1 4.19Å; F245-L264 HydrophobicContact CE1-CB 4.12Å; F245-L264 HydrophobicContact CE1-CD1 3.98Å; L259-L264 HydrophobicContact CB-CD1 3.75Å; L259-L264 HydrophobicContact CB-CD2 4.4Å; L259-L264 HydrophobicContact CB-CG 4.19Å; L259-L264 HydrophobicContact CD1-CD1 3.71Å; L259-L264 HydrophobicContact CD1-CD2 4.07Å; L259-L264 HydrophobicContact CD1-CG 4.42Å; L259-L264 HydrophobicContact CG-CD1 4.36Å; P261-L264 PolarHBondContact O-N 3.4Å; A262-L264 VanDerWaalsContact C-N 3.29Å; L264-P266 VanDerWaalsContact C-N 3.26Å; L264-P266 VanDerWaalsContact O-N 3.13Å; L264-A267 WeakPolarHBondContact O-CA 3.23Å; L264-A267 WeakPolarHBondContact O-CB 3.34Å; L264-A267 PolarHBondContact O-N 3.25Å; L264-V268 VanDerWaalsContact O-CG2 3.28Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.26Å; L264-V274 HydrophobicContact CD2-CG1 4.33Å; L264-V274 HydrophobicContact CD2-CG2 4.35Å
265L91.3Very high85.6Confident97 Ų9746.5 Ų46.551%0.50825%0.25SC..Hα-helixtrans-47.2-40.4177.9-76.8175.7000114.5P261 A262 A267 V268 R269P261-L265 PolarHBondContact O-N 2.82Å; A262-L265 HydrophobicContact CB-CD1 4.36Å; L265-A267 PolarHBondContact O-N 2.99Å; L265-V268 PolarHBondContact O-N 3.42Å; L265-R269 WeakPolarHBondContact O-CG 3.39Å; L265-R269 PolarHBondContact O-N 2.89Å
266P95.3Very high86.7Confident0 Ų045.7 Ų45.70%024%0.24CC..Hα-helixtrans-60.3-42.3174.3-23.734.9000113.2Y203 A206 L207 E210 L264 R269 S270Y203-P266 HydrophobicContact CD2-CG 3.91Å; Y203-P266 HydrophobicContact CE2-CG 3.52Å; A206-P266 HydrophobicContact CB-CB 3.97Å; A206-P266 HydrophobicContact CB-CG 4.02Å; A206-P266 WeakPolarHBondContact O-CB 3.26Å; L207-P266 HydrophobicContact CD2-CB 4.31Å; L207-P266 HydrophobicContact CD2-CG 3.66Å; L207-P266 HydrophobicContact CG-CG 3.89Å; E210-P266 HydrophobicContact CB-CB 4.11Å; L264-P266 VanDerWaalsContact C-N 3.26Å; L264-P266 VanDerWaalsContact O-N 3.13Å; P266-R269 WeakPolarHBondContact O-CG 3.18Å; P266-S270 PolarHBondContact O-N 2.79Å; P266-S270 PolarHBondContact O-OG 3.19Å
267A94.6Very high87.9Confident0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-66.7-41.5176.400000111.1A206 F245 L264 L265 R269 S270 D271 I272 V274A206-A267 HydrophobicContact CB-CB 4.42Å; F245-A267 HydrophobicContact CZ-CB 4.28Å; L264-A267 WeakPolarHBondContact O-CA 3.23Å; L264-A267 WeakPolarHBondContact O-CB 3.34Å; L264-A267 PolarHBondContact O-N 3.25Å; L265-A267 PolarHBondContact O-N 2.99Å; A267-R269 PolarHBondContact O-N 3.49Å; A267-S270 CarbonylContact O-C 3.27Å; A267-S270 PolarHBondContact O-N 3.21Å; A267-D271 PolarHBondContact O-N 3.35Å; A267-I272 HydrophobicContact CB-CB 4.19Å; A267-I272 PolarHBondContact O-N 2.82Å; A267-V274 HydrophobicContact CB-CG2 3.7Å
268V92.8Very high89.1Confident36 Ų3635.4 Ų35.422%0.21819%0.191CC..Hα-helixtrans-59.8-49.5178.8-175.80000111.8F245 L264 L265 S270 D271F245-V268 HydrophobicContact CB-CG2 3.95Å; F245-V268 HydrophobicContact CD1-CG2 3.59Å; F245-V268 HydrophobicContact CD2-CB 3.98Å; F245-V268 HydrophobicContact CD2-CG1 3.94Å; F245-V268 HydrophobicContact CD2-CG2 3.43Å; F245-V268 VanDerWaalsContact CD2-CG2 3.43Å; F245-V268 HydrophobicContact CE1-CG2 3.89Å; F245-V268 HydrophobicContact CE2-CB 4.21Å; F245-V268 HydrophobicContact CE2-CG2 3.77Å; F245-V268 HydrophobicContact CG-CB 4.38Å; F245-V268 HydrophobicContact CG-CG1 4.4Å; F245-V268 HydrophobicContact CG-CG2 3.39Å; F245-V268 HydrophobicContact CZ-CG2 3.99Å; L264-V268 VanDerWaalsContact O-CG2 3.28Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.26Å; L265-V268 PolarHBondContact O-N 3.42Å; V268-S270 PolarHBondContact O-N 3Å; V268-D271 PolarHBondContact O-N 3.4Å
269R93.8Very high90.4Very high130 Ų13033.3 Ų33.349%0.49118%0.178SC..Hα-helixtrans-71.4-19.8-17669.2-170.6175-154.3-1.5113.7E210 L265 P266 A267E210-R269 VanDerWaalsContact CD-NE 3.32Å; E210-R269 WeakPolarHBondContact OE1-CD 3.36Å; E210-R269 WeakPolarHBondContact OE1-CG 3.37Å; E210-R269 IonicContact OE1-CZ 2.63Å; E210-R269 IonicContact OE1-NE 3.34Å; E210-R269 PolarHBondContact OE1-NE 2.99Å; E210-R269 IonicContact OE1-NH2 3.64Å; E210-R269 IonicContact OE2-CZ 3.95Å; E210-R269 IonicContact OE2-NE 3.57Å; E210-R269 PolarHBondContact OE2-NE 3.47Å; E210-R269 IonicContact OE2-NH2 3.9Å; E210-R269 PolarHBondContact OE2-NH2 3.05Å; L265-R269 WeakPolarHBondContact O-CG 3.39Å; L265-R269 PolarHBondContact O-N 2.89Å; P266-R269 WeakPolarHBondContact O-CG 3.18Å; A267-R269 PolarHBondContact O-N 3.49Å
270S95.4Very high91.3Very high44 Ų4438.5 Ų38.531%0.30820%0.2SC..THydrogen-bonded Turntrans-100.85.7174.5-59.70000113.9E210 P266 A267 V268 I272E210-S270 WeakPolarHBondContact CG-OG 3.06Å; E210-S270 PolarHBondContact OE1-OG 2.97Å; P266-S270 PolarHBondContact O-N 2.79Å; P266-S270 PolarHBondContact O-OG 3.19Å; A267-S270 CarbonylContact O-C 3.27Å; A267-S270 PolarHBondContact O-N 3.21Å; V268-S270 PolarHBondContact O-N 3Å; S270-I272 PolarHBondContact O-N 2.81Å
271D95.2Very high92.1Very high108 Ų10837.9 Ų37.958%0.57820%0.2SC*.THydrogen-bonded Turntrans55.432.7-177.6-15145000113.5A267 V268 N291A267-D271 PolarHBondContact O-N 3.35Å; V268-D271 PolarHBondContact O-N 3.4Å; D271-N291 WeakPolarHBondContact OD1-CB 3.23Å; D271-N291 PolarHBondContact OD1-ND2 3.37Å
272I97Very high93.1Very high8 Ų839.1 Ų39.14%0.04121%0.208CC..  trans-87.1119.9179.2-58.9173.1000108.5A209 A214 V217 A267 S270A209-I272 HydrophobicContact CB-CD1 4.19Å; A214-I272 WeakPolarHBondContact O-CG1 3.12Å; V217-I272 HydrophobicContact CG2-CG2 4.08Å; A267-I272 HydrophobicContact CB-CB 4.19Å; A267-I272 PolarHBondContact O-N 2.82Å; S270-I272 PolarHBondContact O-N 2.81Å
273P96.4Very high93.8Very high37 Ų3747.9 Ų47.924%0.2423%0.231CC..  trans-67145.1175.727.2-34.2000111.4S215 R216 V217 L288 V289S215-P273 VanDerWaalsContact O-CD 3.29Å; S215-P273 WeakPolarHBondContact O-CD 3.43Å; S215-P273 WeakPolarHBondContact O-CG 3.23Å; R216-P273 WeakPolarHBondContact CA-O 3.35Å; R216-P273 HydrophobicContact CB-CG 4.41Å; R216-P273 HydrophobicContact CG-CG 4.27Å; R216-P273 WeakPolarHBondContact CG-O 3.2Å; V217-P273 PolarHBondContact N-O 3.47Å; P273-L288 HydrophobicContact CB-CD1 4.07Å; P273-L288 HydrophobicContact CB-CG 4.43Å; P273-V289 WeakPolarHBondContact CA-O 3.28Å
274V96.5Very high94.1Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-116.3114.3178.1-176.10000109.4V217 I219 F245 L259 L264 A267 V289V217-V274 HydrophobicContact CB-CG1 4.28Å; V217-V274 HydrophobicContact CB-CG2 4.17Å; V217-V274 HydrophobicContact CG1-CG1 4.4Å; V217-V274 CarbonylContact O-C 3.52Å; V217-V274 VanDerWaalsContact O-CA 3.26Å; V217-V274 WeakPolarHBondContact O-CA 3.3Å; I219-V274 HydrophobicContact CG1-CG1 3.73Å; F245-V274 HydrophobicContact CE1-CB 4.44Å; F245-V274 HydrophobicContact CE1-CG2 3.9Å; F245-V274 HydrophobicContact CZ-CG2 3.88Å; L259-V274 HydrophobicContact CD1-CG1 3.98Å; L264-V274 HydrophobicContact CD2-CG1 4.33Å; L264-V274 HydrophobicContact CD2-CG2 4.35Å; A267-V274 HydrophobicContact CB-CG2 3.7Å; V274-V289 HydrophobicContact CB-CB 4.22Å; V274-V289 PolarHBondContact N-O 2.89Å; V274-V289 WeakPolarHBondContact O-CB 3.49Å; V274-V289 PolarHBondContact O-N 3.33Å
275F96.5Very high94.4Very high37 Ų3750.2 Ų50.216%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-86.2136.3172.8176.2-103.1000110.5V217 D218 I219 W220 T287 L288V217-F275 PolarHBondContact O-N 2.77Å; D218-F275 CarbonylContact C-O 3.56Å; D218-F275 HydrophobicContact CB-CD1 4.46Å; D218-F275 WeakPolarHBondContact OD1-CB 3.37Å; I219-F275 PolarHBondContact N-O 2.88Å; W220-F275 HydrophobicContact CH2-CD1 4.48Å; W220-F275 AromaticContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CH2-CE1 3.65Å; W220-F275 HydrophobicContact CZ2-CD1 4.33Å; W220-F275 AromaticContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ2-CE1 3.93Å; W220-F275 HydrophobicContact CZ3-CE1 4.05Å; F275-T287 CarbonylContact C-O 3.57Å; F275-T287 WeakPolarHBondContact CA-O 3.32Å; F275-L288 HydrophobicContact CB-CD1 4.24Å
276V95.1Very high94.6Very high8 Ų846 Ų465%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-119.9115.6176.7-171.70000109.2I219 T221 G225 L259 G286 T287 V289I219-V276 WeakPolarHBondContact O-CA 3.45Å; T221-V276 HydrophobicContact CG2-CG1 4.47Å; G225-V276 WeakPolarHBondContact CA-O 3.17Å; L259-V276 HydrophobicContact CD1-CG2 3.44Å; L259-V276 VanDerWaalsContact CD1-CG2 3.44Å; L259-V276 HydrophobicContact CG-CG2 4.34Å; V276-G286 CarbonylContact O-C 3.14Å; V276-G286 WeakPolarHBondContact O-CA 3.42Å; V276-T287 PolarHBondContact N-O 3.49Å; V276-T287 PolarHBondContact O-N 2.7Å; V276-V289 HydrophobicContact CG2-CG2 4.02Å
277G95.1Very high94.6Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-135.8174.3-176.800000113.4I219 T221 V223I219-G277 PolarHBondContact O-N 3.03Å; T221-G277 PolarHBondContact N-O 2.95Å; T221-G277 PolarHBondContact OG1-O 3.07Å; V223-G277 CarbonylContact O-C 3.54Å
278S94.8Very high94.6Very high3 Ų348.3 Ų48.32%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-100.8127.9174.6-175.80000111T221 D222 K280 D281 P282T221-S278 WeakPolarHBondContact O-CA 3.44Å; D222-S278 PolarHBondContact O-OG 3.09Å; S278-K280 PolarHBondContact O-N 3.11Å; S278-K280 PolarHBondContact OG-N 3.1Å; S278-D281 CarbonylContact O-C 3.41Å; S278-D281 VanDerWaalsContact O-C 3.27Å; S278-D281 PolarHBondContact O-N 3.48Å; S278-P282 WeakPolarHBondContact O-CA 3.32Å; S278-P282 VanDerWaalsContact O-N 3.16Å
279S94.1Very high94.7Very high2 Ų246.7 Ų46.71%0.01424%0.236CC..SBendtrans-73.5-12.2172.774.60000113.3S13 T221S13-S279 VanDerWaalsContact CB-OG 3.23Å; S13-S279 WeakPolarHBondContact CB-OG 3.49Å; S13-S279 WeakPolarHBondContact OG-CB 3.38Å; S13-S279 PolarHBondContact OG-OG 3.46Å; T221-S279 PolarHBondContact O-N 3.48Å
280K93.3Very high94.7Very high124 Ų12441.6 Ų41.654%0.53922%0.221SC..SBendtrans-85-27.6174.9-66.7179.4179.1174.50112.2S278S278-K280 PolarHBondContact O-N 3.11Å; S278-K280 PolarHBondContact OG-N 3.1Å
281D93.2Very high94.5Very high75 Ų7542.8 Ų42.840%0.40122%0.223SC..  trans-142.571.4178.2-167.62.8000111.1S278 R283 A284S278-D281 CarbonylContact O-C 3.41Å; S278-D281 VanDerWaalsContact O-C 3.27Å; S278-D281 PolarHBondContact O-N 3.48Å; D281-R283 PolarHBondContact O-N 2.83Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.39Å; D281-A284 PolarHBondContact O-N 3Å; D281-A284 VanDerWaalsContact O-N 3.14Å; D281-A284 PolarHBondContact OD1-N 2.66Å
282P92.7Very high94.2Very high53 Ų5346.1 Ų46.134%0.34423%0.233SC..G310 helixtrans-65.9-20.1-176.125.8-35.1000113.3I26 W220 S278I26-P282 HydrophobicContact CD1-CB 3.85Å; I26-P282 HydrophobicContact CD1-CG 4.02Å; I26-P282 HydrophobicContact CG1-CB 3.78Å; I26-P282 HydrophobicContact CG1-CG 3.87Å; W220-P282 HydrophobicContact CH2-CB 4.07Å; W220-P282 HydrophobicContact CZ3-CB 3.81Å; S278-P282 WeakPolarHBondContact O-CA 3.32Å; S278-P282 VanDerWaalsContact O-N 3.16Å
283R92.9Very high94Very high231 Ų23146.9 Ų46.987%0.87224%0.238SC*.G310 helixtrans-83.9-13.6178.6-64.1-178.3-59.8175.91.9113D281 G285D281-R283 PolarHBondContact O-N 2.83Å; R283-G285 PolarHBondContact O-N 3.26Å
284A92.2Very high93.6Very high38 Ų3853.2 Ų53.231%0.31426%0.264SS..G310 helixtrans-58.9-26172.200000111.2P224 R239 D281P224-A284 HydrophobicContact CB-CB 3.8Å; R239-A284 PolarHBondContact NH1-O 2.76Å; D281-A284 HydrophobicContact CB-CB 4.22Å; D281-A284 WeakPolarHBondContact O-CB 3.39Å; D281-A284 PolarHBondContact O-N 3Å; D281-A284 VanDerWaalsContact O-N 3.14Å; D281-A284 PolarHBondContact OD1-N 2.66Å
285G93.9Very high93.3Very high24 Ų2460.3 Ų60.325%0.24730%0.302CS..  trans95.4-152.4-169.600000110.4R283R283-G285 PolarHBondContact O-N 3.26Å
286G95.2Very high93.1Very high7 Ų761.4 Ų61.47%0.07231%0.313CS..EExtended strand (participates in β ladder)trans-176.4-164-178.600000111.7R239 V276R239-G286 PolarHBondContact NE-O 3.22Å; V276-G286 CarbonylContact O-C 3.14Å; V276-G286 WeakPolarHBondContact O-CA 3.42Å
287T95.5Very high93Very high0 Ų063.4 Ų63.40%033%0.326CS..EExtended strand (participates in β ladder)trans-110.8129.7177.4-57.80000109.8I226 I240 D241 I243 F275 V276 V289I226-T287 HydrophobicContact CB-CG2 4.11Å; I226-T287 HydrophobicContact CD1-CG2 4.12Å; I226-T287 HydrophobicContact CG1-CG2 4.28Å; I226-T287 PolarHBondContact N-OG1 3.42Å; I226-T287 PolarHBondContact O-OG1 2.98Å; I240-T287 VanDerWaalsContact O-CB 3.23Å; I240-T287 WeakPolarHBondContact O-CB 3.04Å; I240-T287 WeakPolarHBondContact O-CG2 3.48Å; I240-T287 PolarHBondContact O-OG1 3.45Å; D241-T287 CarbonylContact O-C 3.52Å; D241-T287 WeakPolarHBondContact O-CA 3.37Å; I243-T287 HydrophobicContact CB-CG2 4.33Å; I243-T287 HydrophobicContact CG2-CG2 3.54Å; F275-T287 CarbonylContact C-O 3.57Å; F275-T287 WeakPolarHBondContact CA-O 3.32Å; V276-T287 PolarHBondContact N-O 3.49Å; V276-T287 PolarHBondContact O-N 2.7Å; T287-V289 HydrophobicContact CG2-CG2 4.4Å
288L95.7Very high93Very high50 Ų5066.4 Ų66.426%0.26234%0.342SS..EExtended strand (participates in β ladder)trans-91118168.6-16469.8000109.4D241 E242 I243 P273 F275D241-L288 PolarHBondContact O-N 3.39Å; E242-L288 WeakPolarHBondContact CA-O 3.38Å; E242-L288 HydrophobicContact CG-CB 4.35Å; I243-L288 PolarHBondContact N-O 3.38Å; P273-L288 HydrophobicContact CB-CD1 4.07Å; P273-L288 HydrophobicContact CB-CG 4.43Å; F275-L288 HydrophobicContact CB-CD1 4.24Å
289V94.7Very high93.1Very high1 Ų167.2 Ų67.21%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-96.1115.5175.3-168.50000108.4I226 I243 F245 A248 P273 V274 V276 T287I226-V289 HydrophobicContact CD1-CG2 4.03Å; I243-V289 HydrophobicContact CG2-CB 4.22Å; I243-V289 HydrophobicContact CG2-CG1 4.14Å; I243-V289 HydrophobicContact CG2-CG2 3.78Å; I243-V289 VanDerWaalsContact O-CA 3.3Å; I243-V289 WeakPolarHBondContact O-CA 2.93Å; F245-V289 HydrophobicContact CD1-CB 4.42Å; F245-V289 HydrophobicContact CD1-CG1 3.31Å; F245-V289 HydrophobicContact CE1-CB 4.12Å; F245-V289 HydrophobicContact CE1-CG1 3.48Å; F245-V289 VanDerWaalsContact CE1-CG1 3.48Å; F245-V289 HydrophobicContact CG-CG1 4.03Å; F245-V289 HydrophobicContact CZ-CG1 4.31Å; A248-V289 HydrophobicContact CB-CG1 4.12Å; P273-V289 WeakPolarHBondContact CA-O 3.28Å; V274-V289 HydrophobicContact CB-CB 4.22Å; V274-V289 PolarHBondContact N-O 2.89Å; V274-V289 WeakPolarHBondContact O-CB 3.49Å; V274-V289 PolarHBondContact O-N 3.33Å; V276-V289 HydrophobicContact CG2-CG2 4.02Å; T287-V289 HydrophobicContact CG2-CG2 4.4Å
290C94.2Very high93.1Very high24 Ų2468.4 Ų68.416%0.16235%0.349CS..EExtended strand (participates in β ladder)trans-119.7167.9-175-66.70000111I243 A244 F245 K292I243-C290 PolarHBondContact O-N 3.31Å; A244-C290 CarbonylContact C-O 3.57Å; A244-C290 WeakPolarHBondContact CA-O 3.42Å; F245-C290 WeakPolarHBondContact CD2-O 3.21Å; F245-C290 PolarHBondContact N-O 3.25Å; C290-K292 VanDerWaalsContact C-N 3.34Å; C290-K292 WeakPolarHBondContact CB-O 3.37Å
291N91.1Very high93.2Very high69 Ų6962.5 Ų62.537%0.36932%0.323SS..SBendtrans-69-35174.9-159.48.1000112.7F245 D271F245-N291 HydrophobicContact CD2-CB 4.25Å; F245-N291 HydrophobicContact CE2-CB 4.49Å; D271-N291 WeakPolarHBondContact OD1-CB 3.23Å; D271-N291 PolarHBondContact OD1-ND2 3.37Å
292K89Confident93.3Very high177 Ų17759 Ų5977%0.7731%0.305SS*.  trans-139.1153.4174.6-62.5179.6-177174.10109.1C290C290-K292 VanDerWaalsContact C-N 3.34Å; C290-K292 WeakPolarHBondContact CB-O 3.37Å
293T90.7Very high93.4Very high24 Ų2456.6 Ų56.615%0.14729%0.289CS..  trans-120.6149.8170.355.70000109.6E242 I243 A244 R300E242-T293 HydrophobicContact CB-CG2 4.26Å; I243-T293 VanDerWaalsContact C-CG2 3.41Å; A244-T293 HydrophobicContact CB-CG2 4.23Å; T293-R300 PolarHBondContact OG1-NH2 2.97Å
294E89.6Confident93.4Very high170 Ų17046.6 Ų46.679%0.79425%0.253SS*.SBendtrans-74.8138.2171.2-61.7-167.9168.100110.3
295N89.6Confident93.3Very high150 Ų15045.9 Ų45.980%0.80224%0.242SC*.SBendtrans4858.3175-53.8-55.2000114.2
296P92.2Very high93.1Very high60 Ų6049.8 Ų49.839%0.3925%0.249SC..  trans-60.8134.6-177.727.3-35000111N394P296-N394 HydrophobicContact CB-CB 4.04Å; P296-N394 HydrophobicContact CG-CB 4.31Å
297P94.1Very high92.9Very high50 Ų5055.4 Ų55.433%0.32528%0.278SS..  trans-70.7153.3-177.531.4-35.6000111F299 R300 N394P297-F299 VanDerWaalsContact C-N 3.35Å; P297-F299 WeakPolarHBondContact CB-O 3.15Å; P297-F299 PolarHBondContact O-N 2.91Å; P297-R300 HydrophobicContact CG-CB 4.43Å; P297-N394 PolarHBondContact O-ND2 2.87Å
298L94.9Very high92.7Very high62 Ų6255.5 Ų55.533%0.32528%0.278SS..SBendtrans-59.8-46.6176.2178.861.3000111.2G393 N394 L396 A399 V402L298-G393 CarbonylContact O-C 3.39Å; L298-G393 WeakPolarHBondContact O-CA 3.3Å; L298-N394 WeakPolarHBondContact CD1-O 3.46Å; L298-N394 PolarHBondContact O-N 2.88Å; L298-L396 HydrophobicContact CD1-CD2 3.94Å; L298-L396 HydrophobicContact CG-CD2 4.31Å; L298-L396 WeakPolarHBondContact O-CD2 3.26Å; L298-A399 HydrophobicContact CD1-CB 3.49Å; L298-A399 VanDerWaalsContact CD1-CB 3.49Å; L298-A399 HydrophobicContact CD2-CB 4.09Å; L298-A399 HydrophobicContact CG-CB 4.47Å; L298-V402 HydrophobicContact CD1-CG2 4.36Å; L298-V402 HydrophobicContact CD2-CG2 4.18Å
299F95.8Very high92.6Very high21 Ų2153.9 Ų53.99%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-109.8124.4173.4-52.4-61.1000109.3P297 L391 L396 V402 E405 V406 L447 F448P297-F299 VanDerWaalsContact C-N 3.35Å; P297-F299 WeakPolarHBondContact CB-O 3.15Å; P297-F299 PolarHBondContact O-N 2.91Å; F299-L391 HydrophobicContact CB-CD1 4.39Å; F299-L391 HydrophobicContact CD1-CD1 3.94Å; F299-L391 HydrophobicContact CD1-CD2 3.71Å; F299-L391 HydrophobicContact CD1-CG 4.08Å; F299-L391 HydrophobicContact CE1-CD2 3.75Å; F299-L391 HydrophobicContact CG-CD1 4.49Å; F299-L396 HydrophobicContact CD1-CD2 3.84Å; F299-L396 HydrophobicContact CE1-CD2 3.81Å; F299-V402 HydrophobicContact CE1-CG1 4.17Å; F299-V402 HydrophobicContact CZ-CG2 4.44Å; F299-E405 WeakPolarHBondContact CE2-OE1 3.35Å; F299-V406 HydrophobicContact CE1-CG2 4.36Å; F299-L447 HydrophobicContact CD1-CD1 4.49Å; F299-L447 HydrophobicContact CD2-CB 4.15Å; F299-L447 HydrophobicContact CD2-CD2 3.96Å; F299-L447 HydrophobicContact CD2-CG 4.49Å; F299-L447 HydrophobicContact CE2-CD2 3.71Å; F299-L447 HydrophobicContact CG-CB 4.36Å; F299-L447 HydrophobicContact CG-CD1 4.49Å; F299-L447 HydrophobicContact CG-CD2 4.5Å; F299-L447 HydrophobicContact CZ-CD2 4.01Å; F299-F448 HydrophobicContact CB-CE1 3.99Å; F299-F448 HydrophobicContact CB-CE2 4.46Å; F299-F448 HydrophobicContact CB-CZ 3.8Å
300R94.8Very high92.6Very high26 Ų2653.8 Ų53.810%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-105.7-47.6-176.5178.26677.3165.118.5112.4I240 E242 I243 E247 T293 P297 I392 F448I240-R300 HydrophobicContact CD1-CG 4.19Å; E242-R300 PolarHBondContact O-NH1 2.86Å; I243-R300 HydrophobicContact CD1-CG 4.15Å; E247-R300 HydrophobicContact CB-CG 4.5Å; E247-R300 VanDerWaalsContact CD-NH2 3.3Å; E247-R300 WeakPolarHBondContact OE1-CG 3.42Å; E247-R300 IonicContact OE1-CZ 2.79Å; E247-R300 VanDerWaalsContact OE1-CZ 3.26Å; E247-R300 IonicContact OE1-NE 3.69Å; E247-R300 PolarHBondContact OE1-NE 3.45Å; E247-R300 IonicContact OE1-NH2 3.73Å; E247-R300 PolarHBondContact OE1-NH2 3.09Å; E247-R300 IonicContact OE2-CZ 3.63Å; E247-R300 IonicContact OE2-NE 3.18Å; E247-R300 PolarHBondContact OE2-NE 3.21Å; E247-R300 IonicContact OE2-NH2 2.71Å; E247-R300 PolarHBondContact OE2-NH2 3.05Å; T293-R300 PolarHBondContact OG1-NH2 2.97Å; P297-R300 HydrophobicContact CG-CB 4.43Å; R300-I392 WeakPolarHBondContact CA-O 3.17Å; R300-I392 PolarHBondContact N-O 2.83Å; R300-F448 WeakPolarHBondContact O-CE1 3.45Å
301A95.5Very high92.6Very high0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-160.9168.8-176.600000112.5T228 I240 M251 I392T228-A301 CarbonylContact O-C 3.52Å; T228-A301 WeakPolarHBondContact O-CA 3.01Å; T228-A301 WeakPolarHBondContact O-CB 3.34Å; I240-A301 HydrophobicContact CD1-CB 4.35Å; M251-A301 HydrophobicContact CE-CB 3.53Å; M251-A301 HydrophobicContact CG-CB 4.18Å; M251-A301 HydrophobicContact SD-CB 3.71Å; A301-I392 HydrophobicContact CB-CB 4.43Å; A301-I392 HydrophobicContact CB-CD1 4.34Å; A301-I392 PolarHBondContact N-O 2.97Å; A301-I392 VanDerWaalsContact N-O 3.1Å; A301-I392 PolarHBondContact O-N 2.7Å
302L95.4Very high92.9Very high3 Ų349.7 Ų49.72%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-119.3130.5167.8-72.1160.7000108.4T228 T229 V389 A390 L391 V440 L443 H444 F448T228-L302 PolarHBondContact O-N 2.89Å; T229-L302 WeakPolarHBondContact CA-O 3.37Å; T229-L302 PolarHBondContact OG1-O 3.23Å; L302-V389 HydrophobicContact CD2-CG1 4.19Å; L302-A390 CarbonylContact C-O 3.58Å; L302-A390 VanDerWaalsContact CA-O 3.3Å; L302-A390 WeakPolarHBondContact CA-O 3.46Å; L302-L391 HydrophobicContact CD2-CB 4.07Å; L302-L391 HydrophobicContact CD2-CD1 3.8Å; L302-L391 HydrophobicContact CG-CD1 4.25Å; L302-V440 HydrophobicContact CB-CG1 4.41Å; L302-V440 HydrophobicContact CD1-CG1 4.38Å; L302-L443 HydrophobicContact CD1-CB 3.7Å; L302-L443 HydrophobicContact CD2-CB 4.23Å; L302-L443 HydrophobicContact CD2-CD1 4.09Å; L302-H444 HydrophobicContact CD1-CB 3.96Å; L302-F448 HydrophobicContact CD1-CD2 4.45Å; L302-F448 HydrophobicContact CD1-CE2 3.89Å; L302-F448 HydrophobicContact CG-CE2 3.99Å
303A93.8Very high93.2Very high2 Ų241.3 Ų41.32%0.01721%0.21CC..EExtended strand (participates in β ladder)trans-113.6145.9170.900000110.2F254 A256 V389 A390 I392F254-A303 HydrophobicContact CB-CB 4.35Å; F254-A303 VanDerWaalsContact O-CB 3.28Å; F254-A303 WeakPolarHBondContact O-CB 3.46Å; A256-A303 HydrophobicContact CB-CB 4.29Å; A303-V389 WeakPolarHBondContact O-CA 3.42Å; A303-A390 HydrophobicContact CB-CB 4.43Å; A303-A390 PolarHBondContact N-O 3.3Å; A303-A390 PolarHBondContact O-N 3.25Å; A303-I392 HydrophobicContact CB-CD1 3.81Å
304L92.8Very high93.3Very high21 Ų2143 Ų4311%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-130.7117.1-177172.961.9000110.5V233 R306 A387 L388 V389 A436 E437 V440V233-L304 HydrophobicContact CG2-CD2 4.48Å; L304-R306 HydrophobicContact CG-CG 4.42Å; L304-A387 HydrophobicContact CD1-CB 3.95Å; L304-L388 CarbonylContact C-O 3.59Å; L304-L388 WeakPolarHBondContact CA-O 3.46Å; L304-V389 HydrophobicContact CD1-CG2 3.97Å; L304-A436 HydrophobicContact CD1-CB 3.85Å; L304-E437 HydrophobicContact CD2-CG 4.43Å; L304-V440 HydrophobicContact CB-CG2 4.18Å; L304-V440 HydrophobicContact CD1-CG2 4.41Å; L304-V440 HydrophobicContact CD2-CG2 4.24Å; L304-V440 HydrophobicContact CG-CG2 4.5Å
305R90.8Very high93.3Very high23 Ų2335.5 Ų35.59%0.08718%0.183CC..EExtended strand (participates in β ladder)trans-108.6124.2166.8-64.1173.368.1-177.5-9.8109.8T253 F254 D340 D354 A387 L388T253-R305 PolarHBondContact O-NH1 2.84Å; F254-R305 WeakPolarHBondContact O-CD 3.31Å; F254-R305 VanDerWaalsContact O-CG 3.29Å; F254-R305 WeakPolarHBondContact O-CG 3.48Å; R305-D340 IonicContact CZ-OD2 3.53Å; R305-D340 IonicContact NH1-OD1 3.81Å; R305-D340 IonicContact NH1-OD2 3.18Å; R305-D340 PolarHBondContact NH1-OD2 2.52Å; R305-D340 IonicContact NH2-OD2 2.67Å; R305-D354 IonicContact CZ-OD1 3.19Å; R305-D354 IonicContact NH2-OD1 3.22Å; R305-D354 PolarHBondContact NH2-OD1 3.34Å; R305-A387 CarbonylContact O-C 3.13Å; R305-A387 VanDerWaalsContact O-CA 3.26Å; R305-A387 WeakPolarHBondContact O-CA 3.5Å; R305-L388 HydrophobicContact CB-CB 4.23Å; R305-L388 PolarHBondContact N-O 3.18Å; R305-L388 PolarHBondContact O-N 2.66Å
306R90.5Very high92.9Very high105 Ų10535.1 Ų35.140%0.39618%0.18SC..EExtended strand (participates in β ladder)trans-88.6174.2175.3-62.2178.5-177.977.4-8110.4L304 Q308 E437L304-R306 HydrophobicContact CG-CG 4.42Å; R306-Q308 VanDerWaalsContact C-N 3.27Å; R306-Q308 PolarHBondContact O-N 2.93Å; R306-Q308 PolarHBondContact O-NE2 3.47Å; R306-E437 IonicContact CZ-OE1 3.49Å; R306-E437 IonicContact NE-OE1 3.45Å; R306-E437 IonicContact NH2-OE1 2.77Å; R306-E437 PolarHBondContact NH2-OE1 3.06Å
307N90.1Very high92.3Very high126 Ų12637.9 Ų37.967%0.67419%0.191SC*.EExtended strand (participates in β ladder)trans53.743.2172.9-55.1-20.6000113L386N307-L386 PolarHBondContact N-O 3.17Å; N307-L386 VanDerWaalsContact N-O 3.17Å
308Q91Very high91.6Very high1 Ų136.9 Ų36.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-78.1140.9175-59.3-57.4-6900109.7R306 L386 L388 L430R306-Q308 VanDerWaalsContact C-N 3.27Å; R306-Q308 PolarHBondContact O-N 2.93Å; R306-Q308 PolarHBondContact O-NE2 3.47Å; Q308-L386 HydrophobicContact CB-CB 4.11Å; Q308-L386 PolarHBondContact N-O 3.28Å; Q308-L386 PolarHBondContact O-N 2.73Å; Q308-L388 HydrophobicContact CG-CB 3.82Å; Q308-L430 HydrophobicContact CB-CD2 4.29Å; Q308-L430 HydrophobicContact CG-CD2 4.36Å
309T93.1Very high90.6Very high16 Ų1638 Ų3810%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-110.4122.7172.7-57.80000108T352 L353 L366 V382 E383 E384T309-T352 WeakPolarHBondContact O-CA 3.2Å; T309-L353 HydrophobicContact CG2-CD1 4.49Å; T309-L353 PolarHBondContact O-N 3.2Å; T309-L366 HydrophobicContact CG2-CD1 3.8Å; T309-L366 HydrophobicContact CG2-CG 4.44Å; T309-V382 HydrophobicContact CG2-CG1 4.05Å; T309-E383 CarbonylContact C-O 3.54Å; T309-E383 WeakPolarHBondContact CA-O 3.3Å; T309-E384 HydrophobicContact CG2-CG 4.17Å
310L95.3Very high89.3Confident0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-100.5123174.9174.765.6000109.2A350 T352 E383 L386 R416 M417 L430L310-A350 HydrophobicContact CD1-CB 3.85Å; L310-T352 HydrophobicContact CD1-CG2 4.34Å; L310-E383 HydrophobicContact CB-CB 4.27Å; L310-E383 PolarHBondContact N-O 2.9Å; L310-E383 PolarHBondContact O-N 3.17Å; L310-L386 HydrophobicContact CB-CD1 3.56Å; L310-L386 HydrophobicContact CD2-CD1 4.1Å; L310-L386 HydrophobicContact CG-CD1 4.48Å; L310-R416 HydrophobicContact CD2-CG 3.81Å; L310-R416 VanDerWaalsContact CD2-CZ 3.5Å; L310-M417 HydrophobicContact CD1-SD 3.81Å; L310-L430 HydrophobicContact CB-CD1 4.37Å; L310-L430 HydrophobicContact CD1-CD1 4.17Å; L310-L430 HydrophobicContact CD2-CD1 4.38Å
311L95.2Very high88.3Confident0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-106.4115.2175-172.471.9000108.5L313 A350 L351 L366 L374 V380 E381 V382L311-L313 HydrophobicContact CD1-CD2 4.31Å; L311-L313 HydrophobicContact CD2-CD1 4.48Å; L311-L313 HydrophobicContact CD2-CD2 3.96Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 3.81Å; L311-L313 HydrophobicContact CG-CG 4.26Å; L311-A350 CarbonylContact O-C 3.34Å; L311-A350 WeakPolarHBondContact O-CA 3.43Å; L311-L351 HydrophobicContact CB-CB 4.49Å; L311-L351 PolarHBondContact N-O 2.67Å; L311-L351 PolarHBondContact O-N 3.36Å; L311-L366 HydrophobicContact CD1-CD2 4.48Å; L311-L374 HydrophobicContact CD2-CD1 3.77Å; L311-V380 HydrophobicContact CD1-CG1 3.34Å; L311-V380 HydrophobicContact CG-CG1 4.34Å; L311-E381 WeakPolarHBondContact CA-O 3.22Å; L311-V382 HydrophobicContact CD1-CG2 3.83Å
312T96.1Very high87.5Confident7 Ų758.9 Ų58.94%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-105.5118.3174-50.90000109.8H314 V349 E381T312-H314 VanDerWaalsContact CG2-CE1 3.46Å; T312-H314 WeakPolarHBondContact CG2-CE1 3.5Å; T312-H314 VanDerWaalsContact CG2-NE2 3.3Å; T312-H314 WeakPolarHBondContact CG2-NE2 3.24Å; T312-V349 CarbonylContact C-O 3.53Å; T312-V349 WeakPolarHBondContact CA-O 3.49Å; T312-E381 PolarHBondContact N-O 2.86Å; T312-E381 PolarHBondContact O-N 2.83Å
313L95.3Very high87Confident0 Ų060.4 Ų60.40%030%0.3CS..EExtended strand (participates in β ladder)trans-105117.2-179.3-56.2-177.8000108.8L311 F324 V328 S348 V349 L351 L374 V380L311-L313 HydrophobicContact CD1-CD2 4.31Å; L311-L313 HydrophobicContact CD2-CD1 4.48Å; L311-L313 HydrophobicContact CD2-CD2 3.96Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 3.81Å; L311-L313 HydrophobicContact CG-CG 4.26Å; L313-F324 HydrophobicContact CB-CZ 4.29Å; L313-V328 HydrophobicContact CD1-CB 4.22Å; L313-V328 HydrophobicContact CD1-CG1 3.43Å; L313-V328 VanDerWaalsContact CD1-CG1 3.43Å; L313-V328 HydrophobicContact CD1-CG2 3.64Å; L313-S348 CarbonylContact O-C 3.54Å; L313-S348 WeakPolarHBondContact O-CA 3.22Å; L313-S348 WeakPolarHBondContact O-CB 3.49Å; L313-V349 PolarHBondContact N-O 2.96Å; L313-V349 PolarHBondContact O-N 3.05Å; L313-L351 HydrophobicContact CD1-CD1 4.03Å; L313-L374 HydrophobicContact CD1-CD2 4.27Å; L313-L374 HydrophobicContact CD2-CD1 4.46Å; L313-V380 HydrophobicContact CD2-CB 4.31Å; L313-V380 HydrophobicContact CD2-CG1 4Å; L313-V380 HydrophobicContact CD2-CG2 3.87Å
314H93.1Very high86.8Confident61 Ų6160.9 Ų60.928%0.28230%0.301SS..EExtended strand (participates in β ladder)trans-110.2122.2-177.3-58.4-90.5000110.7T312 C378 R379 E381T312-H314 VanDerWaalsContact CG2-CE1 3.46Å; T312-H314 WeakPolarHBondContact CG2-CE1 3.5Å; T312-H314 VanDerWaalsContact CG2-NE2 3.3Å; T312-H314 WeakPolarHBondContact CG2-NE2 3.24Å; H314-C378 WeakPolarHBondContact O-CB 3.12Å; H314-R379 HydrophobicContact CB-CB 4.28Å; H314-R379 PolarHBondContact N-O 2.89Å; H314-R379 PolarHBondContact O-N 3.21Å; H314-E381 IonicContact CD2-OE2 3.89Å; H314-E381 IonicContact CE1-OE2 3.88Å; H314-E381 VanDerWaalsContact NE2-CD 3.29Å; H314-E381 IonicContact NE2-OE1 3.89Å; H314-E381 IonicContact NE2-OE2 2.84Å; H314-E381 PolarHBondContact NE2-OE2 3.4Å
315S90.1Very high86.7Confident12 Ų1263.2 Ų63.28%0.08431%0.314CS..  trans-149.8118.5176.4-172.80000111.3N317 M318 V347S315-N317 PolarHBondContact O-N 3.02Å; S315-N317 WeakPolarHBondContact OG-CB 3.34Å; S315-N317 PolarHBondContact OG-N 3.4Å; S315-M318 WeakPolarHBondContact O-CB 3.47Å; S315-M318 PolarHBondContact O-N 3.25Å; S315-V347 CarbonylContact C-O 3.47Å; S315-V347 PolarHBondContact N-O 3.44Å
316L82.1Confident86.7Confident142 Ų14265.5 Ų65.574%0.74334%0.337SS*.G310 helixtrans-60.1-24.5170.4-66.3176.5000111.7M318 L319 V347L316-M318 PolarHBondContact O-N 2.76Å; L316-L319 WeakPolarHBondContact O-CB 3.46Å; L316-L319 PolarHBondContact O-N 2.86Å; L316-V347 HydrophobicContact CD2-CG1 4.21Å
317N78.3Confident86.8Confident117 Ų11765.4 Ų65.463%0.62634%0.341SS*.G310 helixtrans-67.9-15.7176.5-63.8-22000111.9S315 L319 S321S315-N317 PolarHBondContact O-N 3.02Å; S315-N317 WeakPolarHBondContact OG-CB 3.34Å; S315-N317 PolarHBondContact OG-N 3.4Å; N317-L319 PolarHBondContact O-N 3.23Å; N317-S321 WeakPolarHBondContact O-CB 3.29Å; N317-S321 PolarHBondContact O-OG 3.44Å
318M78.8Confident87Confident30 Ų3059.4 Ų59.415%0.14831%0.309CS..G310 helixtrans-60.3-29.5172.1-74.8179.165.300112.6S315 L316 H320 F324 V347 V349S315-M318 WeakPolarHBondContact O-CB 3.47Å; S315-M318 PolarHBondContact O-N 3.25Å; L316-M318 PolarHBondContact O-N 2.76Å; M318-H320 PolarHBondContact O-N 3.21Å; M318-H320 VanDerWaalsContact O-N 3.13Å; M318-F324 HydrophobicContact CE-CD1 4.15Å; M318-F324 HydrophobicContact CE-CE1 4.35Å; M318-F324 HydrophobicContact CG-CB 4.09Å; M318-F324 HydrophobicContact CG-CD1 3.3Å; M318-F324 HydrophobicContact CG-CD2 4.07Å; M318-F324 HydrophobicContact CG-CE1 3.64Å; M318-F324 HydrophobicContact CG-CE2 4.35Å; M318-F324 HydrophobicContact CG-CG 3.53Å; M318-F324 HydrophobicContact CG-CZ 4.15Å; M318-F324 HydrophobicContact SD-CD1 3.58Å; M318-F324 VanDerWaalsContact SD-CD1 3.58Å; M318-F324 HydrophobicContact SD-CE1 3.41Å; M318-F324 WeakPolarHBondContact SD-CE1 3.28Å; M318-F324 HydrophobicContact SD-CG 4.4Å; M318-F324 HydrophobicContact SD-CZ 4.11Å; M318-V347 VanDerWaalsContact SD-C 3.53Å; M318-V349 HydrophobicContact CE-CG2 3.27Å; M318-V349 HydrophobicContact SD-CG2 3.66Å
319L73.9Confident87.1Confident84 Ų8462.9 Ų62.944%0.4432%0.324SS..THydrogen-bonded Turntrans-66.5113.1179.5-158.181000109.6L316 N317 S321 E346 V347L316-L319 WeakPolarHBondContact O-CB 3.46Å; L316-L319 PolarHBondContact O-N 2.86Å; N317-L319 PolarHBondContact O-N 3.23Å; L319-S321 PolarHBondContact O-N 2.73Å; L319-E346 HydrophobicContact CD1-CB 4.13Å; L319-V347 HydrophobicContact CD1-CG1 4.46Å
320H70.3Confident87.2Confident179 Ų17963.2 Ų63.283%0.82933%0.331SS*.THydrogen-bonded Turntrans62.91.6-179.7-51.2-59.8000117.3M318M318-H320 PolarHBondContact O-N 3.21Å; M318-H320 VanDerWaalsContact O-N 3.13Å
321S72.3Confident87.1Confident59 Ų5963.7 Ų63.741%0.41333%0.334SS..  trans-83.2156.4170.378.30000112N317 L319N317-S321 WeakPolarHBondContact O-CB 3.29Å; N317-S321 PolarHBondContact O-OG 3.44Å; L319-S321 PolarHBondContact O-N 2.73Å
322R78.3Confident87Confident249 Ų24963.7 Ų63.794%0.9433%0.334SS*.SBendtrans-108.5137.8170.4-59.9177.1-176.41780107.4
323G85.9Confident86.8Confident35 Ų3566.4 Ų66.436%0.36136%0.357SS..SBendtrans109.3-18.4169.500000115.9L325 A326 E327G323-L325 PolarHBondContact O-N 3.02Å; G323-A326 CarbonylContact O-C 3.56Å; G323-A326 WeakPolarHBondContact O-CA 3.46Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 3.14Å; G323-E327 PolarHBondContact O-N 3.14Å
324F89.6Confident86.6Confident12 Ų1273.7 Ų73.75%0.05338%0.384CS..Hα-helixtrans-51.7-51.1-177.4-179.4-97000113.3L313 M318 A326 E327 V328 V349 L377 C378L313-F324 HydrophobicContact CB-CZ 4.29Å; M318-F324 HydrophobicContact CE-CD1 4.15Å; M318-F324 HydrophobicContact CE-CE1 4.35Å; M318-F324 HydrophobicContact CG-CB 4.09Å; M318-F324 HydrophobicContact CG-CD1 3.3Å; M318-F324 HydrophobicContact CG-CD2 4.07Å; M318-F324 HydrophobicContact CG-CE1 3.64Å; M318-F324 HydrophobicContact CG-CE2 4.35Å; M318-F324 HydrophobicContact CG-CG 3.53Å; M318-F324 HydrophobicContact CG-CZ 4.15Å; M318-F324 HydrophobicContact SD-CD1 3.58Å; M318-F324 VanDerWaalsContact SD-CD1 3.58Å; M318-F324 HydrophobicContact SD-CE1 3.41Å; M318-F324 WeakPolarHBondContact SD-CE1 3.28Å; M318-F324 HydrophobicContact SD-CG 4.4Å; M318-F324 HydrophobicContact SD-CZ 4.11Å; F324-A326 VanDerWaalsContact C-N 3.31Å; F324-A326 PolarHBondContact O-N 2.81Å; F324-E327 PolarHBondContact O-N 3.37Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CE2-CG2 4.31Å; F324-V328 HydrophobicContact CZ-CG2 3.85Å; F324-V328 WeakPolarHBondContact O-CG2 3.35Å; F324-V328 PolarHBondContact O-N 2.63Å; F324-V349 HydrophobicContact CD1-CG2 4.26Å; F324-V349 HydrophobicContact CE1-CG2 3.82Å; F324-L377 HydrophobicContact CD2-CD1 4.4Å; F324-L377 HydrophobicContact CD2-CD2 4.19Å; F324-L377 HydrophobicContact CD2-CG 4.2Å; F324-L377 HydrophobicContact CE2-CD1 4.48Å; F324-L377 HydrophobicContact CE2-CD2 3.94Å; F324-L377 HydrophobicContact CE2-CG 3.84Å; F324-C378 HydrophobicContact CE2-CB 3.91Å; F324-C378 HydrophobicContact CZ-CB 3.98Å
325L89.8Confident86.5Confident70 Ų7073.2 Ų73.237%0.36638%0.382SS..Hα-helixtrans-61.3-40.2176.5-68.4178.1000111.9G323 E327 V328 F329 V349G323-L325 PolarHBondContact O-N 3.02Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.41Å; L325-V328 PolarHBondContact O-N 2.81Å; L325-F329 HydrophobicContact CB-CD2 4.38Å; L325-F329 HydrophobicContact CB-CE2 4.36Å; L325-F329 HydrophobicContact CD2-CE2 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.12Å; L325-F329 PolarHBondContact O-N 3.25Å; L325-V349 HydrophobicContact CD2-CB 4.37Å; L325-V349 HydrophobicContact CD2-CG1 4Å; L325-V349 HydrophobicContact CD2-CG2 3.49Å; L325-V349 VanDerWaalsContact CD2-CG2 3.49Å
326A91.7Very high86.1Confident70 Ų7078.9 Ų78.958%0.57941%0.412SS*.Hα-helixtrans-65.2-38.1178.500000112.1G323 F324 G330G323-A326 CarbonylContact O-C 3.56Å; G323-A326 WeakPolarHBondContact O-CA 3.46Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 3.14Å; F324-A326 VanDerWaalsContact C-N 3.31Å; F324-A326 PolarHBondContact O-N 2.81Å; A326-G330 PolarHBondContact O-N 3.45Å
327E92.8Very high86.3Confident104 Ų10472.8 Ų72.849%0.48638%0.38SS..Hα-helixtrans-65.8-46.9174.6-70.6177.8-116.100111.1G323 F324 L325 G330 I331 L377G323-E327 PolarHBondContact O-N 3.14Å; F324-E327 PolarHBondContact O-N 3.37Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.41Å; E327-G330 PolarHBondContact O-N 3.06Å; E327-I331 VanDerWaalsContact O-CG1 3.32Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 2.82Å; E327-L377 HydrophobicContact CB-CD2 3.91Å; E327-L377 WeakPolarHBondContact OE2-CD1 3.39Å
328V93.5Very high86.6Confident0 Ų069.9 Ų69.90%037%0.368CS..Hα-helixtrans-57.3-53175.71690000111.3L313 F324 L325 G330 I331 L332 L351 L377L313-V328 HydrophobicContact CD1-CB 4.22Å; L313-V328 HydrophobicContact CD1-CG1 3.43Å; L313-V328 VanDerWaalsContact CD1-CG1 3.43Å; L313-V328 HydrophobicContact CD1-CG2 3.64Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CE2-CG2 4.31Å; F324-V328 HydrophobicContact CZ-CG2 3.85Å; F324-V328 WeakPolarHBondContact O-CG2 3.35Å; F324-V328 PolarHBondContact O-N 2.63Å; L325-V328 PolarHBondContact O-N 2.81Å; V328-G330 VanDerWaalsContact C-N 3.28Å; V328-G330 PolarHBondContact O-N 2.58Å; V328-I331 WeakPolarHBondContact O-CB 3.48Å; V328-I331 PolarHBondContact O-N 3.03Å; V328-L332 HydrophobicContact CG1-CD1 3.97Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.18Å; V328-L351 HydrophobicContact CG1-CD1 3.86Å; V328-L377 HydrophobicContact CG2-CD2 3.78Å
329F93.2Very high87.1Confident73 Ų7370 Ų7032%0.3237%0.37SS..Hα-helixtrans-65.6-32.6178.6-74.7-66.3000112.3L325 L332 A333 V339 I342 L351L325-F329 HydrophobicContact CB-CD2 4.38Å; L325-F329 HydrophobicContact CB-CE2 4.36Å; L325-F329 HydrophobicContact CD2-CE2 4.47Å; L325-F329 WeakPolarHBondContact O-CD2 3.12Å; L325-F329 PolarHBondContact O-N 3.25Å; F329-L332 HydrophobicContact CD1-CD1 4.39Å; F329-L332 PolarHBondContact O-N 2.63Å; F329-A333 VanDerWaalsContact O-CB 3.26Å; F329-A333 WeakPolarHBondContact O-CB 3.38Å; F329-A333 PolarHBondContact O-N 2.79Å; F329-V339 HydrophobicContact CD1-CG2 4.29Å; F329-V339 HydrophobicContact CE1-CB 4.09Å; F329-V339 HydrophobicContact CE1-CG1 4.26Å; F329-V339 HydrophobicContact CE1-CG2 3.83Å; F329-I342 HydrophobicContact CE1-CD1 4.08Å; F329-I342 HydrophobicContact CZ-CD1 3.51Å; F329-I342 HydrophobicContact CZ-CG1 4.18Å; F329-L351 HydrophobicContact CZ-CD2 4.3Å
330G94.8Very high87.7Confident24 Ų2467.4 Ų67.425%0.24736%0.357CS..Hα-helixtrans-64.3-40173.400000112.8A326 E327 V328 R334A326-G330 PolarHBondContact O-N 3.45Å; E327-G330 PolarHBondContact O-N 3.06Å; V328-G330 VanDerWaalsContact C-N 3.28Å; V328-G330 PolarHBondContact O-N 2.58Å; G330-R334 WeakPolarHBondContact O-CG 3.34Å; G330-R334 PolarHBondContact O-N 3.4Å; G330-R334 PolarHBondContact O-NH1 3.26Å; G330-R334 VanDerWaalsContact O-NH1 3.09Å
331I94.5Very high88.8Confident9 Ų959.4 Ų59.45%0.04632%0.32CS..Hα-helixtrans-62.6-54.9172.4-67.9164.7000109.2E327 V328 A333 R334 H335 L370 E373 L374 L377E327-I331 VanDerWaalsContact O-CG1 3.32Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 2.82Å; V328-I331 WeakPolarHBondContact O-CB 3.48Å; V328-I331 PolarHBondContact O-N 3.03Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.45Å; I331-R334 VanDerWaalsContact CG1-NH2 3.29Å; I331-R334 WeakPolarHBondContact O-CB 3.28Å; I331-R334 PolarHBondContact O-N 3.05Å; I331-H335 PolarHBondContact O-CD2 2.92Å; I331-H335 VanDerWaalsContact O-CD2 3.26Å; I331-H335 PolarHBondContact O-N 2.8Å; I331-L370 HydrophobicContact CG2-CD1 3.87Å; I331-E373 HydrophobicContact CD1-CG 4.03Å; I331-E373 HydrophobicContact CG1-CG 3.95Å; I331-E373 HydrophobicContact CG2-CB 4.18Å; I331-E373 HydrophobicContact CG2-CG 4.05Å; I331-L374 HydrophobicContact CB-CD2 4.23Å; I331-L374 HydrophobicContact CD1-CD2 4.03Å; I331-L374 HydrophobicContact CG2-CD2 3.87Å; I331-L374 HydrophobicContact CG2-CG 4.02Å; I331-L377 HydrophobicContact CD1-CD2 4.14Å
332L93Very high89.8Confident1 Ų160.5 Ų60.51%0.00532%0.321CS..Hα-helixtrans-56.6-42.4-178.5-66.6168.8000112.3V328 F329 R334 H335 N336 I337 V339 L351 L353 L370V328-L332 HydrophobicContact CG1-CD1 3.97Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.18Å; F329-L332 HydrophobicContact CD1-CD1 4.39Å; F329-L332 PolarHBondContact O-N 2.63Å; L332-R334 PolarHBondContact O-N 2.9Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 PolarHBondContact O-N 3.04Å; L332-N336 PolarHBondContact O-N 3.27Å; L332-N336 VanDerWaalsContact O-N 3.17Å; L332-I337 HydrophobicContact CB-CB 4.36Å; L332-I337 HydrophobicContact CD2-CB 4.12Å; L332-I337 HydrophobicContact CD2-CD1 4.33Å; L332-I337 HydrophobicContact CD2-CG2 3.96Å; L332-I337 PolarHBondContact O-N 2.96Å; L332-V339 HydrophobicContact CD1-CG2 3.55Å; L332-L351 HydrophobicContact CD1-CD1 4.03Å; L332-L353 HydrophobicContact CD2-CD2 4.49Å; L332-L370 HydrophobicContact CD2-CD1 4Å
333A91Very high90.4Very high64 Ų6451.4 Ų51.453%0.52929%0.293SS..Hα-helixtrans-62.6-39.4176.700000113.2F329 I331 H335 N336F329-A333 VanDerWaalsContact O-CB 3.26Å; F329-A333 WeakPolarHBondContact O-CB 3.38Å; F329-A333 PolarHBondContact O-N 2.79Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.45Å; A333-H335 VanDerWaalsContact C-N 3.27Å; A333-H335 PolarHBondContact O-N 3.02Å; A333-N336 PolarHBondContact O-N 3.5Å; A333-N336 VanDerWaalsContact O-N 3.07Å
334R92.1Very high90.7Very high152 Ų15253.8 Ų53.857%0.57430%0.301SS*.Hα-helixtrans-64.2-33.2175.5-76.9-169.8-64.8-82.110112.6G330 I331 L332 N336 E373G330-R334 WeakPolarHBondContact O-CG 3.34Å; G330-R334 PolarHBondContact O-N 3.4Å; G330-R334 PolarHBondContact O-NH1 3.26Å; G330-R334 VanDerWaalsContact O-NH1 3.09Å; I331-R334 VanDerWaalsContact CG1-NH2 3.29Å; I331-R334 WeakPolarHBondContact O-CB 3.28Å; I331-R334 PolarHBondContact O-N 3.05Å; L332-R334 PolarHBondContact O-N 2.9Å; R334-N336 VanDerWaalsContact C-N 3.26Å; R334-E373 IonicContact CZ-OE1 2.72Å; R334-E373 IonicContact NE-OE1 2.67Å; R334-E373 PolarHBondContact NE-OE1 3.22Å; R334-E373 IonicContact NH2-OE1 3.39Å; R334-E373 PolarHBondContact NH2-OE1 2.66Å
335H89.9Confident90.6Very high52 Ų5255.9 Ų55.924%0.24132%0.317CS..THydrogen-bonded Turntrans-85.57174.7-69.4-84.1000113.1I331 L332 A333 I337 L370 E373I331-H335 PolarHBondContact O-CD2 2.92Å; I331-H335 VanDerWaalsContact O-CD2 3.26Å; I331-H335 PolarHBondContact O-N 2.8Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 PolarHBondContact O-N 3.04Å; A333-H335 VanDerWaalsContact C-N 3.27Å; A333-H335 PolarHBondContact O-N 3.02Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.13Å; H335-I337 PolarHBondContact O-N 2.65Å; H335-L370 HydrophobicContact CB-CD1 3.99Å; H335-E373 IonicContact CD2-OE2 3.54Å; H335-E373 IonicContact CE1-OE2 3.95Å; H335-E373 IonicContact NE2-OE2 2.98Å; H335-E373 PolarHBondContact NE2-OE2 2.73Å
336N83.4Confident90.4Very high131 Ų13160 Ų6070%0.70133%0.334SS*.THydrogen-bonded Turntrans56.131.2-176.2-62.7-55.2000114.2L332 A333 R334L332-N336 PolarHBondContact O-N 3.27Å; L332-N336 VanDerWaalsContact O-N 3.17Å; A333-N336 PolarHBondContact O-N 3.5Å; A333-N336 VanDerWaalsContact O-N 3.07Å; R334-N336 VanDerWaalsContact C-N 3.26Å
337I86.1Confident90.2Very high14 Ų1459 Ų597%0.07232%0.321CS..  trans-94.8125178.6-62.5175.5000109.5L332 H335 L353 L365 L370L332-I337 HydrophobicContact CB-CB 4.36Å; L332-I337 HydrophobicContact CD2-CB 4.12Å; L332-I337 HydrophobicContact CD2-CD1 4.33Å; L332-I337 HydrophobicContact CD2-CG2 3.96Å; L332-I337 PolarHBondContact O-N 2.96Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.13Å; H335-I337 PolarHBondContact O-N 2.65Å; I337-L353 HydrophobicContact CG2-CB 4.34Å; I337-L353 HydrophobicContact CG2-CD1 4.34Å; I337-L353 HydrophobicContact CG2-CD2 3.84Å; I337-L353 HydrophobicContact CG2-CG 4.39Å; I337-L365 WeakPolarHBondContact CD1-O 3.47Å; I337-L370 HydrophobicContact CD1-CD1 3.91Å; I337-L370 HydrophobicContact CD1-CD2 3.19Å; I337-L370 HydrophobicContact CD1-CG 4.05Å
338S84.7Confident90.1Very high55 Ų5555.2 Ų55.239%0.38531%0.306SS..EExtended strand (participates in β ladder)trans-90.7145.8171.6-1790000110.2D354S338-D354 PolarHBondContact O-N 2.97Å
339V88.7Confident90.2Very high32 Ų3255.2 Ų55.219%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-107.5138.5178.6175.10000108.7F329 L332 I342 L351 T352F329-V339 HydrophobicContact CD1-CG2 4.29Å; F329-V339 HydrophobicContact CE1-CB 4.09Å; F329-V339 HydrophobicContact CE1-CG1 4.26Å; F329-V339 HydrophobicContact CE1-CG2 3.83Å; L332-V339 HydrophobicContact CD1-CG2 3.55Å; V339-I342 HydrophobicContact CG1-CD1 4.08Å; V339-I342 HydrophobicContact CG1-CG1 3.58Å; V339-L351 HydrophobicContact CG1-CB 4.31Å; V339-L351 HydrophobicContact CG1-CD2 4.01Å; V339-T352 WeakPolarHBondContact CA-O 3.42Å
340D87.3Confident90.3Very high31 Ų3152.1 Ų52.117%0.16629%0.294CS..EExtended strand (participates in β ladder)trans-101.3-67.4-179.3-170.29.8000111R305 T352 D354R305-D340 IonicContact CZ-OD2 3.53Å; R305-D340 IonicContact NH1-OD1 3.81Å; R305-D340 IonicContact NH1-OD2 3.18Å; R305-D340 PolarHBondContact NH1-OD2 2.52Å; R305-D340 IonicContact NH2-OD2 2.67Å; D340-T352 WeakPolarHBondContact CB-OG1 3.28Å; D340-T352 PolarHBondContact N-O 3.08Å; D340-D354 HydrophobicContact CB-CB 4.4Å
341L91.7Very high90.3Very high10 Ų1051 Ų515%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-108147.6177.6-57.2-176.5000112.4F254 L351 T352 L388 M417 C419 C428F254-L341 HydrophobicContact CD1-CD2 4.5Å; F254-L341 HydrophobicContact CE1-CD2 3.73Å; F254-L341 HydrophobicContact CZ-CD2 4.42Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 VanDerWaalsContact O-CA 3.28Å; L341-L351 WeakPolarHBondContact O-CA 3.28Å; L341-T352 HydrophobicContact CB-CG2 4.31Å; L341-T352 VanDerWaalsContact CB-OG1 3.28Å; L341-T352 WeakPolarHBondContact CB-OG1 3.32Å; L341-T352 PolarHBondContact N-OG1 2.94Å; L341-T352 PolarHBondContact O-N 3.16Å; L341-L388 HydrophobicContact CD1-CD1 3.5Å; L341-L388 HydrophobicContact CD1-CD2 4.08Å; L341-L388 HydrophobicContact CD1-CG 4.4Å; L341-L388 HydrophobicContact CG-CD2 4.29Å; L341-M417 HydrophobicContact CB-CE 3.82Å; L341-C419 HydrophobicContact CD1-CB 4.45Å; L341-C419 HydrophobicContact CD2-CB 4.26Å; L341-C428 HydrophobicContact CD1-CB 4.13Å; L341-C428 HydrophobicContact CD2-CB 4.1Å
342I93.3Very high90.2Very high82 Ų8250.6 Ų50.642%0.42128%0.28SS..EExtended strand (participates in β ladder)trans-136.2128.8178.5-54.9160.2000108.5F329 V339 T344 V349 A350 L351F329-I342 HydrophobicContact CE1-CD1 4.08Å; F329-I342 HydrophobicContact CZ-CD1 3.51Å; F329-I342 HydrophobicContact CZ-CG1 4.18Å; V339-I342 HydrophobicContact CG1-CD1 4.08Å; V339-I342 HydrophobicContact CG1-CG1 3.58Å; I342-T344 HydrophobicContact CG2-CG2 4.31Å; I342-V349 HydrophobicContact CG2-CG1 4.13Å; I342-A350 WeakPolarHBondContact CA-O 3.29Å; I342-L351 HydrophobicContact CB-CD2 4.05Å; I342-L351 HydrophobicContact CG1-CD2 3.61Å; I342-L351 HydrophobicContact CG2-CD2 3.75Å
343T92.5Very high89.9Confident59 Ų5950.5 Ų50.536%0.36228%0.28SS..EExtended strand (participates in β ladder)trans-132.5144.9162.8-166.90000110A350 M417T343-A350 HydrophobicContact CG2-CB 3.64Å; T343-A350 PolarHBondContact N-O 3.2Å; T343-A350 PolarHBondContact O-N 3.17Å; T343-M417 HydrophobicContact CG2-CE 3.54Å; T343-M417 HydrophobicContact CG2-CG 3.96Å; T343-M417 HydrophobicContact CG2-SD 3.96Å
344T90.4Very high89.3Confident84 Ų8448.4 Ų48.452%0.51526%0.26SS..EExtended strand (participates in β ladder)trans-124.2137.5-174.858.70000110.3I342 V349I342-T344 HydrophobicContact CG2-CG2 4.31Å; T344-V349 HydrophobicContact CG2-CG1 4.18Å; T344-V349 HydrophobicContact CG2-CG2 4.39Å
345S88Confident88Confident57 Ų5744.2 Ų44.240%0.39925%0.251SS..  trans-103-175.5158.582.40000109.6V347 S348S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 PolarHBondContact OG-N 3.39Å; S345-S348 PolarHBondContact N-O 3.37Å; S345-S348 PolarHBondContact OG-N 3.07Å; S345-S348 PolarHBondContact OG-OG 2.89Å
346E85.1Confident86.4Confident156 Ų15644.9 Ų44.973%0.72926%0.259SS*.SBendtrans-63.2-26.4175.6-62.9-176.3165.400113.4L319L319-E346 HydrophobicContact CD1-CB 4.13Å
347V88.8Confident84.7Confident50 Ų5041 Ų4130%0.30325%0.25SS..SBendtrans-1333.6-171.7-62.80000113.9S315 L316 M318 L319 S345S315-V347 CarbonylContact C-O 3.47Å; S315-V347 PolarHBondContact N-O 3.44Å; L316-V347 HydrophobicContact CD2-CG1 4.21Å; M318-V347 VanDerWaalsContact SD-C 3.53Å; L319-V347 HydrophobicContact CD1-CG1 4.46Å; S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 PolarHBondContact OG-N 3.39Å
348S91.2Very high82.5Confident23 Ų2341.8 Ų41.816%0.16126%0.257CS..EExtended strand (participates in β ladder)trans-145.9155-18068.20000113.5L313 S345L313-S348 CarbonylContact O-C 3.54Å; L313-S348 WeakPolarHBondContact O-CA 3.22Å; L313-S348 WeakPolarHBondContact O-CB 3.49Å; S345-S348 PolarHBondContact N-O 3.37Å; S345-S348 PolarHBondContact OG-N 3.07Å; S345-S348 PolarHBondContact OG-OG 2.89Å
349V93.7Very high80.2Confident0 Ų044.4 Ų44.40%027%0.271CS..EExtended strand (participates in β ladder)trans-128.2126.8173.8-168.90000108.3T312 L313 M318 F324 L325 I342 T344 L351T312-V349 CarbonylContact C-O 3.53Å; T312-V349 WeakPolarHBondContact CA-O 3.49Å; L313-V349 PolarHBondContact N-O 2.96Å; L313-V349 PolarHBondContact O-N 3.05Å; M318-V349 HydrophobicContact CE-CG2 3.27Å; M318-V349 HydrophobicContact SD-CG2 3.66Å; F324-V349 HydrophobicContact CD1-CG2 4.26Å; F324-V349 HydrophobicContact CE1-CG2 3.82Å; L325-V349 HydrophobicContact CD2-CB 4.37Å; L325-V349 HydrophobicContact CD2-CG1 4Å; L325-V349 HydrophobicContact CD2-CG2 3.49Å; L325-V349 VanDerWaalsContact CD2-CG2 3.49Å; I342-V349 HydrophobicContact CG2-CG1 4.13Å; T344-V349 HydrophobicContact CG2-CG1 4.18Å; T344-V349 HydrophobicContact CG2-CG2 4.39Å; V349-L351 HydrophobicContact CG1-CD1 4.42Å; V349-L351 HydrophobicContact CG1-CD2 3.57Å; V349-L351 HydrophobicContact CG1-CG 3.87Å
350A95.3Very high77.7Confident9 Ų947.5 Ų47.57%0.07429%0.294CS..EExtended strand (participates in β ladder)trans-106.2128172.600000108.9L310 L311 I342 T343 M417L310-A350 HydrophobicContact CD1-CB 3.85Å; L311-A350 CarbonylContact O-C 3.34Å; L311-A350 WeakPolarHBondContact O-CA 3.43Å; I342-A350 WeakPolarHBondContact CA-O 3.29Å; T343-A350 HydrophobicContact CG2-CB 3.64Å; T343-A350 PolarHBondContact N-O 3.2Å; T343-A350 PolarHBondContact O-N 3.17Å; A350-M417 HydrophobicContact CB-SD 4.23Å
351L94.9Very high75.5Confident0 Ų049.9 Ų49.90%031%0.31CS..EExtended strand (participates in β ladder)trans-130.1134.1-173.4-55.1171000109.9L311 L313 V328 F329 L332 V339 L341 I342 V349L311-L351 HydrophobicContact CB-CB 4.49Å; L311-L351 PolarHBondContact N-O 2.67Å; L311-L351 PolarHBondContact O-N 3.36Å; L313-L351 HydrophobicContact CD1-CD1 4.03Å; V328-L351 HydrophobicContact CG1-CD1 3.86Å; F329-L351 HydrophobicContact CZ-CD2 4.3Å; L332-L351 HydrophobicContact CD1-CD1 4.03Å; V339-L351 HydrophobicContact CG1-CB 4.31Å; V339-L351 HydrophobicContact CG1-CD2 4.01Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 VanDerWaalsContact O-CA 3.28Å; L341-L351 WeakPolarHBondContact O-CA 3.28Å; I342-L351 HydrophobicContact CB-CD2 4.05Å; I342-L351 HydrophobicContact CG1-CD2 3.61Å; I342-L351 HydrophobicContact CG2-CD2 3.75Å; V349-L351 HydrophobicContact CG1-CD1 4.42Å; V349-L351 HydrophobicContact CG1-CD2 3.57Å; V349-L351 HydrophobicContact CG1-CG 3.87Å
352T92.7Very high73.1Confident0 Ų053.6 Ų53.60%035%0.35CS..EExtended strand (participates in β ladder)trans-96.4141.3162.959.20000110.7T309 L310 V339 D340 L341 L430T309-T352 WeakPolarHBondContact O-CA 3.2Å; L310-T352 HydrophobicContact CD1-CG2 4.34Å; V339-T352 WeakPolarHBondContact CA-O 3.42Å; D340-T352 WeakPolarHBondContact CB-OG1 3.28Å; D340-T352 PolarHBondContact N-O 3.08Å; L341-T352 HydrophobicContact CB-CG2 4.31Å; L341-T352 VanDerWaalsContact CB-OG1 3.28Å; L341-T352 WeakPolarHBondContact CB-OG1 3.32Å; L341-T352 PolarHBondContact N-OG1 2.94Å; L341-T352 PolarHBondContact O-N 3.16Å; T352-L430 HydrophobicContact CG2-CD1 3.43Å; T352-L430 VanDerWaalsContact CG2-CD1 3.43Å; T352-L430 HydrophobicContact CG2-CD2 4.06Å; T352-L430 HydrophobicContact CG2-CG 4.23Å
353L88.4Confident71Confident0 Ų055.5 Ų55.50%036%0.361CS..EExtended strand (participates in β ladder)trans-93.8134.6-178.7-51.5-175.1000110.4T309 L332 I337 T355 L365 L366T309-L353 HydrophobicContact CG2-CD1 4.49Å; T309-L353 PolarHBondContact O-N 3.2Å; L332-L353 HydrophobicContact CD2-CD2 4.49Å; I337-L353 HydrophobicContact CG2-CB 4.34Å; I337-L353 HydrophobicContact CG2-CD1 4.34Å; I337-L353 HydrophobicContact CG2-CD2 3.84Å; I337-L353 HydrophobicContact CG2-CG 4.39Å; L353-T355 PolarHBondContact O-N 3.33Å; L353-L365 HydrophobicContact CB-CD1 3.9Å; L353-L365 HydrophobicContact CD1-CB 4.46Å; L353-L366 HydrophobicContact CD1-CD2 3.65Å; L353-L366 HydrophobicContact CD1-CG 4.31Å
354D77.1Confident69.5Low20 Ų2057.6 Ų57.611%0.10737%0.374CS..EExtended strand (participates in β ladder)trans-81.4106.5175.1175.729.5000110.9R305 S338 D340 T356 G357R305-D354 IonicContact CZ-OD1 3.19Å; R305-D354 IonicContact NH2-OD1 3.22Å; R305-D354 PolarHBondContact NH2-OD1 3.34Å; S338-D354 PolarHBondContact O-N 2.97Å; D340-D354 HydrophobicContact CB-CB 4.4Å; D354-T356 VanDerWaalsContact CG-OG1 3.32Å; D354-T356 PolarHBondContact O-N 3.04Å; D354-T356 WeakPolarHBondContact OD1-CB 3.3Å; D354-T356 PolarHBondContact OD1-N 2.96Å; D354-T356 PolarHBondContact OD1-OG1 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å; D354-G357 PolarHBondContact OD2-N 2.93Å
355T65.1Low68.6Low63 Ų6355 Ų5539%0.38736%0.357SS..THydrogen-bonded Turntrans-71.4-12.9175.152.90000113.8L353 L365L353-T355 PolarHBondContact O-N 3.33Å; T355-L365 HydrophobicContact CG2-CD1 3.37Å; T355-L365 HydrophobicContact CG2-CG 4.31Å
356T55.3Low68.3Low66 Ų6653.1 Ų53.141%0.40534%0.342SS..THydrogen-bonded Turntrans-89.7-24.9-172.170.20000114.2R198 D354R198-T356 PolarHBondContact NH2-O 2.81Å; D354-T356 VanDerWaalsContact CG-OG1 3.32Å; D354-T356 PolarHBondContact O-N 3.04Å; D354-T356 WeakPolarHBondContact OD1-CB 3.3Å; D354-T356 PolarHBondContact OD1-N 2.96Å; D354-T356 PolarHBondContact OD1-OG1 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å
357G48Very low68.3Low51 Ų5148.2 Ų48.253%0.52632%0.323SS..THydrogen-bonded Turntrans-90.4-16.4-179.500000115.3D354D354-G357 PolarHBondContact OD2-N 2.93Å
358S41Very low68.3Low30 Ų3053.4 Ų53.421%0.2134%0.344CS..SBendtrans-75.9128.5167.9-63.30000107.8L365S358-L365 WeakPolarHBondContact OG-CD2 3.19Å
359T36.6Very low68.4Low110 Ų11055.5 Ų55.568%0.67536%0.358SS*.  trans-46.2153.4175.642.60000110.8T361T359-T361 PolarHBondContact O-N 2.71Å; T359-T361 PolarHBondContact O-OG1 3.19Å
360S36.4Very low68.3Low97 Ų9755.5 Ų55.568%0.67836%0.358SS*.SBendtrans-50.211.7-176.745.20000118.2G362S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 VanDerWaalsContact O-N 3.1Å
361T40.4Very low68.2Low81 Ų8156.8 Ų56.850%0.49736%0.364SS..  trans-59.3111.9166.250.60000108.1T359 D363T359-T361 PolarHBondContact O-N 2.71Å; T359-T361 PolarHBondContact O-OG1 3.19Å; T361-D363 PolarHBondContact O-N 3.27Å
362G41.1Very low68.2Low87 Ų8764 Ų6490%0.89740%0.399SS*.  trans-63.517.7169.400000114.2S360S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 VanDerWaalsContact O-N 3.1Å
363D49.4Very low68.3Low123 Ų12367 Ų6766%0.65841%0.413SS*.SBendtrans-73.7140.4175-71.5-28.8000109.8T361 L365T361-D363 PolarHBondContact O-N 3.27Å; D363-L365 PolarHBondContact O-N 3Å
364T61.8Low68.7Low102 Ų10267 Ų6763%0.62641%0.413SS*.  trans-58.3122.7172.949.80000109.3L366T364-L366 CarbonylContact O-C 3.53Å; T364-L366 PolarHBondContact O-N 3.26Å
365L70.9Confident69.5Low30 Ų3069.3 Ų69.316%0.15743%0.431CS..SBendtrans-46.9-33.1178.5-72.6175.7000113.1I337 L353 T355 S358 D363 T367I337-L365 WeakPolarHBondContact CD1-O 3.47Å; L353-L365 HydrophobicContact CB-CD1 3.9Å; L353-L365 HydrophobicContact CD1-CB 4.46Å; T355-L365 HydrophobicContact CG2-CD1 3.37Å; T355-L365 HydrophobicContact CG2-CG 4.31Å; S358-L365 WeakPolarHBondContact OG-CD2 3.19Å; D363-L365 PolarHBondContact O-N 3Å; L365-T367 PolarHBondContact O-N 2.94Å; L365-T367 VanDerWaalsContact O-N 3.16Å
366L81.7Confident70.9Confident18 Ų1870.7 Ų70.79%0.09445%0.449CS..SBendtrans-83.880.9177-63.9176.9000110.9T309 L311 L353 T364 L370 L371 V382T309-L366 HydrophobicContact CG2-CD1 3.8Å; T309-L366 HydrophobicContact CG2-CG 4.44Å; L311-L366 HydrophobicContact CD1-CD2 4.48Å; L353-L366 HydrophobicContact CD1-CD2 3.65Å; L353-L366 HydrophobicContact CD1-CG 4.31Å; T364-L366 CarbonylContact O-C 3.53Å; T364-L366 PolarHBondContact O-N 3.26Å; L366-L370 HydrophobicContact CD2-CD2 3.78Å; L366-L371 HydrophobicContact CB-CD1 4.33Å; L366-L371 HydrophobicContact CB-CG 4.42Å; L366-L371 HydrophobicContact CD2-CD2 4.11Å; L366-V382 HydrophobicContact CD1-CB 4.26Å; L366-V382 HydrophobicContact CD1-CG1 3.34Å; L366-V382 HydrophobicContact CD1-CG2 3.87Å
367T85.5Confident72.6Confident52 Ų5269.6 Ų69.632%0.31944%0.44SS..  trans-66.2150.9170.8650000110.7L365 S369 L370 L371L365-T367 PolarHBondContact O-N 2.94Å; L365-T367 VanDerWaalsContact O-N 3.16Å; T367-S369 PolarHBondContact O-N 3.4Å; T367-S369 PolarHBondContact OG1-OG 2.88Å; T367-L370 PolarHBondContact O-N 2.86Å; T367-L370 VanDerWaalsContact OG1-CB 3.32Å; T367-L370 WeakPolarHBondContact OG1-CB 3.29Å; T367-L370 PolarHBondContact OG1-N 2.89Å; T367-L370 VanDerWaalsContact OG1-N 3.11Å; T367-L371 PolarHBondContact O-N 2.88Å; T367-L371 VanDerWaalsContact O-N 3.08Å
368Q88.7Confident74.7Confident160 Ų16067.8 Ų67.875%0.74842%0.419SS*.Hα-helixtrans-58.4-34.9173.7-70.7-64.7-32.900111.6L371 M372Q368-L371 PolarHBondContact O-N 3.16Å; Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 PolarHBondContact O-N 2.87Å
369S92.2Very high77.3Confident67 Ų6774.4 Ų74.447%0.46944%0.44SS..Hα-helixtrans-64.4-43.2175.846.40000112.9T367 M372 E373T367-S369 PolarHBondContact O-N 3.4Å; T367-S369 PolarHBondContact OG1-OG 2.88Å; S369-M372 PolarHBondContact O-N 3.14Å; S369-E373 PolarHBondContact O-N 2.93Å
370L92.4Very high80.1Confident0 Ų070.6 Ų70.60%042%0.417CS..Hα-helixtrans-60.8-51.5175.6173.274.8000110.9I331 L332 H335 I337 L366 T367 M372 E373 L374I331-L370 HydrophobicContact CG2-CD1 3.87Å; L332-L370 HydrophobicContact CD2-CD1 4Å; H335-L370 HydrophobicContact CB-CD1 3.99Å; I337-L370 HydrophobicContact CD1-CD1 3.91Å; I337-L370 HydrophobicContact CD1-CD2 3.19Å; I337-L370 HydrophobicContact CD1-CG 4.05Å; L366-L370 HydrophobicContact CD2-CD2 3.78Å; T367-L370 PolarHBondContact O-N 2.86Å; T367-L370 VanDerWaalsContact OG1-CB 3.32Å; T367-L370 WeakPolarHBondContact OG1-CB 3.29Å; T367-L370 PolarHBondContact OG1-N 2.89Å; T367-L370 VanDerWaalsContact OG1-N 3.11Å; L370-M372 VanDerWaalsContact C-N 3.27Å; L370-M372 PolarHBondContact O-N 3.1Å; L370-E373 PolarHBondContact O-N 2.8Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CD2-CD1 4.39Å; L370-L374 HydrophobicContact CG-CD1 3.87Å; L370-L374 HydrophobicContact CG-CG 4.48Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 2.86Å
371L93.5Very high82.9Confident36 Ų3669 Ų6919%0.18840%0.398CS..Hα-helixtrans-61.3-38.7-177.7-70.5177000111.3L366 T367 Q368 S375 V380 V382L366-L371 HydrophobicContact CB-CD1 4.33Å; L366-L371 HydrophobicContact CB-CG 4.42Å; L366-L371 HydrophobicContact CD2-CD2 4.11Å; T367-L371 PolarHBondContact O-N 2.88Å; T367-L371 VanDerWaalsContact O-N 3.08Å; Q368-L371 PolarHBondContact O-N 3.16Å; L371-S375 WeakPolarHBondContact O-CB 3.26Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 2.77Å; L371-V380 HydrophobicContact CD2-CG1 4.13Å; L371-V382 HydrophobicContact CD2-CG2 4.11Å
372M94.4Very high85.5Confident150 Ų15067.9 Ų67.974%0.73939%0.391SS*.Hα-helixtrans-63.7-45.1175.7-174.6177.2-179.900112Q368 S369 L370 S375 A376Q368-M372 VanDerWaalsContact O-CB 3.29Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 PolarHBondContact O-N 2.87Å; S369-M372 PolarHBondContact O-N 3.14Å; L370-M372 VanDerWaalsContact C-N 3.27Å; L370-M372 PolarHBondContact O-N 3.1Å; M372-S375 PolarHBondContact O-N 3.02Å; M372-A376 PolarHBondContact O-N 2.84Å
373E95.5Very high88.1Confident63 Ų6366.8 Ų66.829%0.29436%0.363SS..Hα-helixtrans-67.2-42.3-179.5-164.5175.6-172.600112I331 R334 H335 S369 L370 A376I331-E373 HydrophobicContact CD1-CG 4.03Å; I331-E373 HydrophobicContact CG1-CG 3.95Å; I331-E373 HydrophobicContact CG2-CB 4.18Å; I331-E373 HydrophobicContact CG2-CG 4.05Å; R334-E373 IonicContact CZ-OE1 2.72Å; R334-E373 IonicContact NE-OE1 2.67Å; R334-E373 PolarHBondContact NE-OE1 3.22Å; R334-E373 IonicContact NH2-OE1 3.39Å; R334-E373 PolarHBondContact NH2-OE1 2.66Å; H335-E373 IonicContact CD2-OE2 3.54Å; H335-E373 IonicContact CE1-OE2 3.95Å; H335-E373 IonicContact NE2-OE2 2.98Å; H335-E373 PolarHBondContact NE2-OE2 2.73Å; S369-E373 PolarHBondContact O-N 2.93Å; L370-E373 PolarHBondContact O-N 2.8Å; E373-A376 PolarHBondContact O-N 3.18Å
374L95Very high90.2Very high0 Ų067.1 Ų67.10%036%0.361CS..Hα-helixtrans-65.9-39.2174-70.1172.1000112.2L311 L313 I331 L370 A376 L377 C378 V380L311-L374 HydrophobicContact CD2-CD1 3.77Å; L313-L374 HydrophobicContact CD1-CD2 4.27Å; L313-L374 HydrophobicContact CD2-CD1 4.46Å; I331-L374 HydrophobicContact CB-CD2 4.23Å; I331-L374 HydrophobicContact CD1-CD2 4.03Å; I331-L374 HydrophobicContact CG2-CD2 3.87Å; I331-L374 HydrophobicContact CG2-CG 4.02Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CD2-CD1 4.39Å; L370-L374 HydrophobicContact CG-CD1 3.87Å; L370-L374 HydrophobicContact CG-CG 4.48Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 2.86Å; L374-A376 PolarHBondContact O-N 3.1Å; L374-L377 WeakPolarHBondContact O-CB 3.16Å; L374-L377 PolarHBondContact O-N 3.46Å; L374-C378 PolarHBondContact O-N 3.26Å; L374-C378 PolarHBondContact O-SG 3.19Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; L374-V380 HydrophobicContact CB-CG2 3.69Å
375S95Very high91.7Very high69 Ų6964.4 Ų64.448%0.48335%0.353SS..Hα-helixtrans-67.5-25.1179-63.60000113L371 M372 L377 C378L371-S375 WeakPolarHBondContact O-CB 3.26Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 2.77Å; M372-S375 PolarHBondContact O-N 3.02Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-C378 CarbonylContact C-O 3.54Å; S375-C378 VanDerWaalsContact CA-O 3.28Å; S375-C378 WeakPolarHBondContact CA-O 3.38Å
376A94.1Very high92.9Very high93 Ų9363.6 Ų63.677%0.76935%0.348SS*.Hα-helixtrans-70.1-25.5171.800000112.5M372 E373 L374M372-A376 PolarHBondContact O-N 2.84Å; E373-A376 PolarHBondContact O-N 3.18Å; L374-A376 PolarHBondContact O-N 3.1Å
377L90.7Very high93.5Very high42 Ų4262.7 Ų62.722%0.2234%0.344CS..Hα-helixtrans-92.2-36.3179.7-177.664000112.9F324 E327 V328 I331 L374 S375F324-L377 HydrophobicContact CD2-CD1 4.4Å; F324-L377 HydrophobicContact CD2-CD2 4.19Å; F324-L377 HydrophobicContact CD2-CG 4.2Å; F324-L377 HydrophobicContact CE2-CD1 4.48Å; F324-L377 HydrophobicContact CE2-CD2 3.94Å; F324-L377 HydrophobicContact CE2-CG 3.84Å; E327-L377 HydrophobicContact CB-CD2 3.91Å; E327-L377 WeakPolarHBondContact OE2-CD1 3.39Å; V328-L377 HydrophobicContact CG2-CD2 3.78Å; I331-L377 HydrophobicContact CD1-CD2 4.14Å; L374-L377 WeakPolarHBondContact O-CB 3.16Å; L374-L377 PolarHBondContact O-N 3.46Å; S375-L377 VanDerWaalsContact C-N 3.27Å
378C92.5Very high94Very high13 Ų1360.2 Ų60.29%0.08833%0.329CS..SBendtrans-160.7169.6-170.660.90000112.6H314 F324 L374 S375H314-C378 WeakPolarHBondContact O-CB 3.12Å; F324-C378 HydrophobicContact CE2-CB 3.91Å; F324-C378 HydrophobicContact CZ-CB 3.98Å; L374-C378 PolarHBondContact O-N 3.26Å; L374-C378 PolarHBondContact O-SG 3.19Å; L374-C378 VanDerWaalsContact O-SG 3.34Å; S375-C378 CarbonylContact C-O 3.54Å; S375-C378 VanDerWaalsContact CA-O 3.28Å; S375-C378 WeakPolarHBondContact CA-O 3.38Å
379R95Very high94.3Very high169 Ų16952.6 Ų52.664%0.63829%0.293SS*.EExtended strand (participates in β ladder)trans-75.5127.7169.3171.3-179.7168.8171.6-3109H314 E381H314-R379 HydrophobicContact CB-CB 4.28Å; H314-R379 PolarHBondContact N-O 2.89Å; H314-R379 PolarHBondContact O-N 3.21Å; R379-E381 IonicContact CZ-OE1 3.88Å; R379-E381 IonicContact NE-OE1 3.5Å; R379-E381 PolarHBondContact NE-OE1 3.02Å; R379-E381 IonicContact NH2-OE1 3.88Å; R379-E381 PolarHBondContact NH2-OE1 2.86Å
380V96Very high94.4Very high31 Ų3149.4 Ų49.419%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-105.6129.7-178.4-173.90000110L311 L313 L371 L374 V382L311-V380 HydrophobicContact CD1-CG1 3.34Å; L311-V380 HydrophobicContact CG-CG1 4.34Å; L313-V380 HydrophobicContact CD2-CB 4.31Å; L313-V380 HydrophobicContact CD2-CG1 4Å; L313-V380 HydrophobicContact CD2-CG2 3.87Å; L371-V380 HydrophobicContact CD2-CG1 4.13Å; L374-V380 HydrophobicContact CB-CG2 3.69Å; V380-V382 HydrophobicContact CG1-CG2 4.27Å
381E96Very high94.6Very high62 Ų6249.4 Ų49.429%0.2927%0.271SS..EExtended strand (participates in β ladder)trans-120.3137.4169.4-68178.4168.700109.4L311 T312 H314 R379L311-E381 WeakPolarHBondContact CA-O 3.22Å; T312-E381 PolarHBondContact N-O 2.86Å; T312-E381 PolarHBondContact O-N 2.83Å; H314-E381 IonicContact CD2-OE2 3.89Å; H314-E381 IonicContact CE1-OE2 3.88Å; H314-E381 VanDerWaalsContact NE2-CD 3.29Å; H314-E381 IonicContact NE2-OE1 3.89Å; H314-E381 IonicContact NE2-OE2 2.84Å; H314-E381 PolarHBondContact NE2-OE2 3.4Å; R379-E381 IonicContact CZ-OE1 3.88Å; R379-E381 IonicContact NE-OE1 3.5Å; R379-E381 PolarHBondContact NE-OE1 3.02Å; R379-E381 IonicContact NH2-OE1 3.88Å; R379-E381 PolarHBondContact NH2-OE1 2.86Å
382V95Very high94.6Very high59 Ų5947.7 Ų47.736%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-122.5126.6-177.2177.30000108.5T309 L311 L366 L371 V380 E384T309-V382 HydrophobicContact CG2-CG1 4.05Å; L311-V382 HydrophobicContact CD1-CG2 3.83Å; L366-V382 HydrophobicContact CD1-CB 4.26Å; L366-V382 HydrophobicContact CD1-CG1 3.34Å; L366-V382 HydrophobicContact CD1-CG2 3.87Å; L371-V382 HydrophobicContact CD2-CG2 4.11Å; V380-V382 HydrophobicContact CG1-CG2 4.27Å; V382-E384 HydrophobicContact CG1-CG 4.12Å
383E95.3Very high94.6Very high63 Ų6340.6 Ų40.629%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-121.7124.9170.8-70.6169.6-96.500108.9T309 L310 L386 R416T309-E383 CarbonylContact C-O 3.54Å; T309-E383 WeakPolarHBondContact CA-O 3.3Å; L310-E383 HydrophobicContact CB-CB 4.27Å; L310-E383 PolarHBondContact N-O 2.9Å; L310-E383 PolarHBondContact O-N 3.17Å; E383-L386 HydrophobicContact CB-CD1 4.23Å; E383-R416 IonicContact OE1-CZ 3Å; E383-R416 VanDerWaalsContact OE1-CZ 3.23Å; E383-R416 IonicContact OE1-NE 2.66Å; E383-R416 PolarHBondContact OE1-NE 2.91Å; E383-R416 IonicContact OE1-NH2 2.8Å; E383-R416 PolarHBondContact OE1-NH2 2.8Å; E383-R416 IonicContact OE2-CZ 2.91Å; E383-R416 IonicContact OE2-NE 3.99Å; E383-R416 PolarHBondContact OE2-NE 3.29Å; E383-R416 IonicContact OE2-NH2 3.23Å
384E93.4Very high94.6Very high131 Ų13138.3 Ų38.361%0.61222%0.217SC*.EExtended strand (participates in β ladder)trans-111.4173.5177.6-63.8-175.9144.200110.6T309 V382 L386T309-E384 HydrophobicContact CG2-CG 4.17Å; V382-E384 HydrophobicContact CG1-CG 4.12Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.82Å
385G92.8Very high94.5Very high45 Ų4541.9 Ų41.946%0.46424%0.236SC..EExtended strand (participates in β ladder)trans72.920.6176.600000113.9G433G385-G433 VanDerWaalsContact O-CA 3.26Å; G385-G433 WeakPolarHBondContact O-CA 3.25Å; G385-G433 PolarHBondContact O-N 3.45Å
386L95.8Very high94.4Very high12 Ų1238.6 Ų38.66%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-87.7165.7173.8-62.8173.4000111N307 Q308 L310 E383 E384 R416 L430 V431N307-L386 PolarHBondContact N-O 3.17Å; N307-L386 VanDerWaalsContact N-O 3.17Å; Q308-L386 HydrophobicContact CB-CB 4.11Å; Q308-L386 PolarHBondContact N-O 3.28Å; Q308-L386 PolarHBondContact O-N 2.73Å; L310-L386 HydrophobicContact CB-CD1 3.56Å; L310-L386 HydrophobicContact CD2-CD1 4.1Å; L310-L386 HydrophobicContact CG-CD1 4.48Å; E383-L386 HydrophobicContact CB-CD1 4.23Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.82Å; L386-R416 HydrophobicContact CD1-CG 4.23Å; L386-R416 HydrophobicContact CD2-CG 4.45Å; L386-L430 HydrophobicContact CD1-CD1 4.2Å; L386-V431 WeakPolarHBondContact CA-O 3.06Å
387A95.1Very high94.2Very high0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-129.6140170.100000110.9L304 R305 L430 V431 A436L304-A387 HydrophobicContact CD1-CB 3.95Å; R305-A387 CarbonylContact O-C 3.13Å; R305-A387 VanDerWaalsContact O-CA 3.26Å; R305-A387 WeakPolarHBondContact O-CA 3.5Å; A387-L430 WeakPolarHBondContact O-CA 3.49Å; A387-V431 HydrophobicContact CB-CG2 4.3Å; A387-V431 PolarHBondContact N-O 2.79Å; A387-V431 PolarHBondContact O-N 2.71Å; A387-A436 HydrophobicContact CB-CB 3.38Å
388L94.9Very high94.1Very high0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-93120.4171.8170.156.6000109.2F254 L304 R305 Q308 L341 C428 L430F254-L388 HydrophobicContact CD1-CD2 3.83Å; L304-L388 CarbonylContact C-O 3.59Å; L304-L388 WeakPolarHBondContact CA-O 3.46Å; R305-L388 HydrophobicContact CB-CB 4.23Å; R305-L388 PolarHBondContact N-O 3.18Å; R305-L388 PolarHBondContact O-N 2.66Å; Q308-L388 HydrophobicContact CG-CB 3.82Å; L341-L388 HydrophobicContact CD1-CD1 3.5Å; L341-L388 HydrophobicContact CD1-CD2 4.08Å; L341-L388 HydrophobicContact CD1-CG 4.4Å; L341-L388 HydrophobicContact CG-CD2 4.29Å; L388-C428 HydrophobicContact CD1-CB 3.93Å; L388-L430 HydrophobicContact CB-CD2 3.82Å; L388-L430 HydrophobicContact CD1-CD2 4.26Å
389V95.5Very high94Very high0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-106.5122.1167.3-179.60000107.8L302 A303 L304 C428 F429 V431 V439 V440 L443L302-V389 HydrophobicContact CD2-CG1 4.19Å; A303-V389 WeakPolarHBondContact O-CA 3.42Å; L304-V389 HydrophobicContact CD1-CG2 3.97Å; V389-C428 WeakPolarHBondContact O-CA 3.46Å; V389-F429 HydrophobicContact CB-CD2 4.01Å; V389-F429 HydrophobicContact CB-CE2 3.51Å; V389-F429 HydrophobicContact CB-CZ 3.92Å; V389-F429 HydrophobicContact CG1-CE1 4.5Å; V389-F429 HydrophobicContact CG1-CE2 3.61Å; V389-F429 HydrophobicContact CG1-CZ 3.56Å; V389-F429 HydrophobicContact CG2-CE2 4.27Å; V389-F429 PolarHBondContact N-O 2.98Å; V389-F429 PolarHBondContact O-N 2.85Å; V389-V431 HydrophobicContact CG2-CG2 4.19Å; V389-V439 HydrophobicContact CG1-CG1 4.38Å; V389-V439 HydrophobicContact CG2-CG1 3.98Å; V389-V440 HydrophobicContact CG1-CG2 4.04Å; V389-V440 HydrophobicContact CG2-CG2 3.97Å; V389-L443 HydrophobicContact CG1-CD1 4.18Å
390A94.8Very high93.9Very high0 Ų041.7 Ų41.70%024%0.24CC..EExtended strand (participates in β ladder)trans-112.1124.8174.100000109.3F254 L302 A303 I392F254-A390 HydrophobicContact CB-CB 3.35Å; F254-A390 HydrophobicContact CD2-CB 3.89Å; F254-A390 HydrophobicContact CG-CB 3.7Å; L302-A390 CarbonylContact C-O 3.58Å; L302-A390 VanDerWaalsContact CA-O 3.3Å; L302-A390 WeakPolarHBondContact CA-O 3.46Å; A303-A390 HydrophobicContact CB-CB 4.43Å; A303-A390 PolarHBondContact N-O 3.3Å; A303-A390 PolarHBondContact O-N 3.25Å; A390-I392 HydrophobicContact CB-CD1 4.31Å; A390-I392 VanDerWaalsContact O-CD1 3.32Å; A390-I392 WeakPolarHBondContact O-CD1 3.43Å
391L95.8Very high93.7Very high0 Ų042.4 Ų42.40%025%0.254CS..EExtended strand (participates in β ladder)trans-90.7118.6166.4176.164.8000108.2F299 L302 V406 N426 L427 L447 F448F299-L391 HydrophobicContact CB-CD1 4.39Å; F299-L391 HydrophobicContact CD1-CD1 3.94Å; F299-L391 HydrophobicContact CD1-CD2 3.71Å; F299-L391 HydrophobicContact CD1-CG 4.08Å; F299-L391 HydrophobicContact CE1-CD2 3.75Å; F299-L391 HydrophobicContact CG-CD1 4.49Å; L302-L391 HydrophobicContact CD2-CB 4.07Å; L302-L391 HydrophobicContact CD2-CD1 3.8Å; L302-L391 HydrophobicContact CG-CD1 4.25Å; L391-V406 HydrophobicContact CD2-CG1 4.47Å; L391-V406 HydrophobicContact CD2-CG2 3.42Å; L391-V406 VanDerWaalsContact CD2-CG2 3.42Å; L391-N426 CarbonylContact O-C 3.59Å; L391-N426 VanDerWaalsContact O-CA 3.26Å; L391-N426 WeakPolarHBondContact O-CA 3.46Å; L391-L427 HydrophobicContact CB-CB 4.33Å; L391-L427 HydrophobicContact CD2-CD2 4.37Å; L391-L427 PolarHBondContact N-O 2.87Å; L391-L427 PolarHBondContact O-N 3.48Å; L391-L447 HydrophobicContact CD1-CD1 3.85Å; L391-L447 HydrophobicContact CD2-CD1 4.11Å; L391-F448 HydrophobicContact CD1-CE2 4.39Å; L391-F448 HydrophobicContact CD1-CZ 4.28Å
392I94.4Very high93.5Very high0 Ų039.6 Ų39.60%024%0.241CC..EExtended strand (participates in β ladder)trans-101.5138.7178.9-55.289.7000108.1E247 E250 M251 R300 A301 A303 A390 H425E247-I392 HydrophobicContact CB-CG2 4.41Å; E250-I392 HydrophobicContact CB-CG1 4.23Å; E250-I392 HydrophobicContact CB-CG2 3.96Å; M251-I392 HydrophobicContact CG-CB 4.18Å; M251-I392 HydrophobicContact CG-CD1 3.93Å; M251-I392 HydrophobicContact CG-CG1 3.81Å; M251-I392 HydrophobicContact CG-CG2 4.11Å; R300-I392 WeakPolarHBondContact CA-O 3.17Å; R300-I392 PolarHBondContact N-O 2.83Å; A301-I392 HydrophobicContact CB-CB 4.43Å; A301-I392 HydrophobicContact CB-CD1 4.34Å; A301-I392 PolarHBondContact N-O 2.97Å; A301-I392 VanDerWaalsContact N-O 3.1Å; A301-I392 PolarHBondContact O-N 2.7Å; A303-I392 HydrophobicContact CB-CD1 3.81Å; A390-I392 HydrophobicContact CB-CD1 4.31Å; A390-I392 VanDerWaalsContact O-CD1 3.32Å; A390-I392 WeakPolarHBondContact O-CD1 3.43Å; I392-H425 CarbonylContact C-O 3.58Å; I392-H425 VanDerWaalsContact CA-O 3.3Å; I392-H425 WeakPolarHBondContact CA-O 3.26Å
393G94.5Very high93.3Very high0 Ų038.6 Ų38.60%024%0.242CC..EExtended strand (participates in β ladder)trans-167.6-163.7-175.500000112.5L298 H425L298-G393 CarbonylContact O-C 3.39Å; L298-G393 WeakPolarHBondContact O-CA 3.3Å; G393-H425 PolarHBondContact N-O 2.94Å; G393-H425 VanDerWaalsContact O-CA 3.22Å; G393-H425 WeakPolarHBondContact O-CA 3.33Å; G393-H425 WeakPolarHBondContact O-CB 3.44Å; G393-H425 PolarHBondContact O-ND1 3.31Å
394N94.2Very high93.2Very high16 Ų1644.1 Ų44.19%0.08627%0.265CS..SBendtrans-132.4131.5-178.9-61-83000110.4E247 P296 P297 L298 L396 H425E247-N394 WeakPolarHBondContact CG-OD1 3.41Å; E247-N394 PolarHBondContact OE1-ND2 2.94Å; E247-N394 PolarHBondContact OE1-OD1 2.97Å; P296-N394 HydrophobicContact CB-CB 4.04Å; P296-N394 HydrophobicContact CG-CB 4.31Å; P297-N394 PolarHBondContact O-ND2 2.87Å; L298-N394 WeakPolarHBondContact CD1-O 3.46Å; L298-N394 PolarHBondContact O-N 2.88Å; N394-L396 PolarHBondContact O-N 2.87Å; N394-L396 VanDerWaalsContact O-N 3.1Å; N394-H425 PolarHBondContact OD1-ND1 3.03Å
395D92.9Very high93.2Very high74 Ų7441.5 Ų41.540%0.39625%0.253SS..SBendtrans51.633.3-179.5-73.5-38.1000113.1S397 K398 A399 S424D395-S397 PolarHBondContact O-N 2.94Å; D395-K398 HydrophobicContact CB-CB 4.26Å; D395-K398 HydrophobicContact CB-CD 4.11Å; D395-K398 HydrophobicContact CB-CG 4.43Å; D395-K398 WeakPolarHBondContact O-CA 3.37Å; D395-K398 PolarHBondContact O-N 3.04Å; D395-K398 WeakPolarHBondContact OD1-CD 3.28Å; D395-K398 WeakPolarHBondContact OD1-CE 3.38Å; D395-K398 IonicContact OD1-NZ 3.92Å; D395-K398 PolarHBondContact OD1-NZ 2.78Å; D395-K398 IonicContact OD2-NZ 2.91Å; D395-A399 PolarHBondContact O-N 2.91Å; D395-S424 PolarHBondContact N-O 3.1Å
396L93.2Very high93.4Very high0 Ų039.4 Ų39.40%023%0.231CC..G310 helixtrans-52.1-44.6-179.2-68.7178.2000110.5L298 F299 N394 K398 A399 Y420 S424 L427L298-L396 HydrophobicContact CD1-CD2 3.94Å; L298-L396 HydrophobicContact CG-CD2 4.31Å; L298-L396 WeakPolarHBondContact O-CD2 3.26Å; F299-L396 HydrophobicContact CD1-CD2 3.84Å; F299-L396 HydrophobicContact CE1-CD2 3.81Å; N394-L396 PolarHBondContact O-N 2.87Å; N394-L396 VanDerWaalsContact O-N 3.1Å; L396-K398 PolarHBondContact O-N 3.1Å; L396-A399 PolarHBondContact O-N 2.92Å; L396-Y420 HydrophobicContact CB-CE2 4.1Å; L396-Y420 PolarHBondContact O-OH 3.47Å; L396-S424 PolarHBondContact N-O 3.38Å; L396-L427 HydrophobicContact CD1-CB 4.39Å
397S89.6Confident93.3Very high64 Ų6441.6 Ų41.645%0.44824%0.24SC..G310 helixtrans-69.1-13.3-178.865.90000114.4D395 Y420D395-S397 PolarHBondContact O-N 2.94Å; S397-Y420 WeakPolarHBondContact CA-OH 3.41Å; S397-Y420 PolarHBondContact N-OH 2.85Å
398K89.7Confident93.4Very high152 Ų15243.8 Ų43.866%0.66126%0.263SS*.G310 helixtrans-102.5-13.9178.9-56.2178.7-171.1152.80112.5D395 L396D395-K398 HydrophobicContact CB-CB 4.26Å; D395-K398 HydrophobicContact CB-CD 4.11Å; D395-K398 HydrophobicContact CB-CG 4.43Å; D395-K398 WeakPolarHBondContact O-CA 3.37Å; D395-K398 PolarHBondContact O-N 3.04Å; D395-K398 WeakPolarHBondContact OD1-CD 3.28Å; D395-K398 WeakPolarHBondContact OD1-CE 3.38Å; D395-K398 IonicContact OD1-NZ 3.92Å; D395-K398 PolarHBondContact OD1-NZ 2.78Å; D395-K398 IonicContact OD2-NZ 2.91Å; L396-K398 PolarHBondContact O-N 3.1Å
399A90.8Very high93.3Very high35 Ų3545.2 Ų45.229%0.28927%0.272SS..SBendtrans-86.3134-179.200000112L298 D395 L396 V402L298-A399 HydrophobicContact CD1-CB 3.49Å; L298-A399 VanDerWaalsContact CD1-CB 3.49Å; L298-A399 HydrophobicContact CD2-CB 4.09Å; L298-A399 HydrophobicContact CG-CB 4.47Å; D395-A399 PolarHBondContact O-N 2.91Å; L396-A399 PolarHBondContact O-N 2.92Å; A399-V402 HydrophobicContact CB-CG2 3.61Å
400C91.9Very high93.4Very high131 Ų13145.4 Ų45.489%0.88527%0.272SS*.THydrogen-bonded Turntrans-75.8142.3174-68.10000110.8V402C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.06Å
401G92Very high93.4Very high47 Ų4753.5 Ų53.549%0.48531%0.31SS..THydrogen-bonded Turntrans88.5-13.9171.700000115.7G403 K404 E405G401-G403 VanDerWaalsContact C-N 3.27Å; G401-G403 PolarHBondContact O-N 2.8Å; G401-G403 VanDerWaalsContact O-N 3.16Å; G401-K404 PolarHBondContact O-N 3.35Å; G401-E405 PolarHBondContact O-N 3.01Å
402V92.5Very high93.4Very high3 Ų357.8 Ų57.82%0.01834%0.338CS..Hα-helixtrans-47.9-47.6179.6173.60000112.2L298 F299 A399 C400 K404 E405 V406L298-V402 HydrophobicContact CD1-CG2 4.36Å; L298-V402 HydrophobicContact CD2-CG2 4.18Å; F299-V402 HydrophobicContact CE1-CG1 4.17Å; F299-V402 HydrophobicContact CZ-CG2 4.44Å; A399-V402 HydrophobicContact CB-CG2 3.61Å; C400-V402 VanDerWaalsContact C-N 3.33Å; C400-V402 PolarHBondContact O-N 3.06Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.26Å; V402-E405 PolarHBondContact O-N 2.83Å; V402-V406 HydrophobicContact CG1-CG2 4.2Å; V402-V406 WeakPolarHBondContact O-CB 3.43Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.78Å
403G90.6Very high93.5Very high37 Ų3758.9 Ų58.938%0.38134%0.343SS..Hα-helixtrans-60.4-40.8179.600000113.3G401 F407G401-G403 VanDerWaalsContact C-N 3.27Å; G401-G403 PolarHBondContact O-N 2.8Å; G401-G403 VanDerWaalsContact O-N 3.16Å; G403-F407 VanDerWaalsContact O-CB 3.28Å; G403-F407 WeakPolarHBondContact O-CB 3.16Å; G403-F407 VanDerWaalsContact O-CD2 3.24Å; G403-F407 WeakPolarHBondContact O-CD2 3.07Å; G403-F407 PolarHBondContact O-N 3.42Å
404K93.6Very high93.6Very high179 Ų17964.1 Ų64.178%0.77837%0.371SS*.Hα-helixtrans-69.6-41.2177.1179.6-179.2175.9-175.70111.1G401 V402 G408G401-K404 PolarHBondContact O-N 3.35Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.26Å; K404-G408 VanDerWaalsContact O-CA 3.27Å; K404-G408 WeakPolarHBondContact O-CA 3.5Å; K404-G408 PolarHBondContact O-N 3.4Å
405E93.5Very high93.7Very high77 Ų7765.5 Ų65.536%0.3638%0.378SS..Hα-helixtrans-65.9-40.7-178.2-163.7174.4174.100111.9F299 G401 V402 V409 L447F299-E405 WeakPolarHBondContact CE2-OE1 3.35Å; G401-E405 PolarHBondContact O-N 3.01Å; V402-E405 PolarHBondContact O-N 2.83Å; E405-V409 VanDerWaalsContact O-CG2 3.31Å; E405-V409 WeakPolarHBondContact O-CG2 3.33Å; E405-L447 HydrophobicContact CG-CD2 3.73Å
406V95.4Very high93.9Very high0 Ų065.9 Ų65.90%037%0.374CS..Hα-helixtrans-78-58.8177.2178.10000111F299 L391 V402 G408 V409 L410 L427 F429 L443 L447F299-V406 HydrophobicContact CE1-CG2 4.36Å; L391-V406 HydrophobicContact CD2-CG1 4.47Å; L391-V406 HydrophobicContact CD2-CG2 3.42Å; L391-V406 VanDerWaalsContact CD2-CG2 3.42Å; V402-V406 HydrophobicContact CG1-CG2 4.2Å; V402-V406 WeakPolarHBondContact O-CB 3.43Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.78Å; V406-G408 PolarHBondContact O-N 3.43Å; V406-V409 PolarHBondContact O-N 3.19Å; V406-L410 HydrophobicContact CG1-CD1 4.33Å; V406-L410 WeakPolarHBondContact O-CG 3.27Å; V406-L427 HydrophobicContact CB-CD2 4.16Å; V406-L427 HydrophobicContact CG1-CD2 3.85Å; V406-L427 HydrophobicContact CG2-CD2 4.09Å; V406-F429 HydrophobicContact CG1-CE1 4.2Å; V406-L443 HydrophobicContact CG1-CD2 3.95Å; V406-L447 HydrophobicContact CG2-CD1 4.43Å
407F95.5Very high94Very high58 Ų5866.3 Ų66.325%0.25438%0.376SS..Hα-helixtrans-77.9-20.8-171.1-62.5-63.8000113.7G403 V409 L410 E411 I415 I418 L427 F429G403-F407 VanDerWaalsContact O-CB 3.28Å; G403-F407 WeakPolarHBondContact O-CB 3.16Å; G403-F407 VanDerWaalsContact O-CD2 3.24Å; G403-F407 WeakPolarHBondContact O-CD2 3.07Å; G403-F407 PolarHBondContact O-N 3.42Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 2.9Å; F407-L410 HydrophobicContact CD1-CD1 4.18Å; F407-L410 PolarHBondContact O-N 2.81Å; F407-E411 PolarHBondContact O-N 2.91Å; F407-I415 HydrophobicContact CD1-CD1 3.51Å; F407-I415 HydrophobicContact CE1-CD1 3.83Å; F407-I418 HydrophobicContact CE1-CD1 3.78Å; F407-I418 HydrophobicContact CE1-CG1 4.14Å; F407-I418 HydrophobicContact CE2-CD1 4.48Å; F407-I418 HydrophobicContact CZ-CD1 3.75Å; F407-I418 HydrophobicContact CZ-CG1 4.13Å; F407-I418 HydrophobicContact CZ-CG2 3.85Å; F407-L427 HydrophobicContact CE2-CD2 4.21Å; F407-L427 HydrophobicContact CZ-CD1 4.14Å; F407-L427 HydrophobicContact CZ-CD2 4.11Å; F407-F429 HydrophobicContact CE1-CD1 4.35Å
408G95.5Very high94.2Very high46 Ų4667 Ų6747%0.47437%0.374SS..Hα-helixtrans-63.4-37.2172.300000112.4K404 V406 L410K404-G408 VanDerWaalsContact O-CA 3.27Å; K404-G408 WeakPolarHBondContact O-CA 3.5Å; K404-G408 PolarHBondContact O-N 3.4Å; V406-G408 PolarHBondContact O-N 3.43Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.79Å
409V94.5Very high94.4Very high31 Ų3160.7 Ų60.719%0.18835%0.348CS..Hα-helixtrans-71-26.1175.8177.60000111.7E405 V406 F407 K442 N446E405-V409 VanDerWaalsContact O-CG2 3.31Å; E405-V409 WeakPolarHBondContact O-CG2 3.33Å; V406-V409 PolarHBondContact O-N 3.19Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 2.9Å; V409-K442 HydrophobicContact CG1-CB 3.79Å; V409-N446 HydrophobicContact CG1-CB 4.3Å; V409-N446 HydrophobicContact CG2-CB 3.69Å; V409-N446 WeakPolarHBondContact CG2-ND2 3.43Å
410L96.3Very high94.4Very high3 Ų363.9 Ų63.92%0.01635%0.353CS..THydrogen-bonded Turntrans-90.35.6-177.2-59.4-177.6000114.2V406 F407 G408 P412 F413 I415 F429 V439 L443V406-L410 HydrophobicContact CG1-CD1 4.33Å; V406-L410 WeakPolarHBondContact O-CG 3.27Å; F407-L410 HydrophobicContact CD1-CD1 4.18Å; F407-L410 PolarHBondContact O-N 2.81Å; G408-L410 VanDerWaalsContact C-N 3.25Å; G408-L410 PolarHBondContact O-N 2.79Å; L410-P412 VanDerWaalsContact O-N 3.09Å; L410-F413 HydrophobicContact CD2-CD2 4.07Å; L410-F413 HydrophobicContact CD2-CE2 4.38Å; L410-F413 PolarHBondContact O-N 3Å; L410-I415 HydrophobicContact CB-CD1 4Å; L410-I415 HydrophobicContact CD1-CD1 3.93Å; L410-F429 HydrophobicContact CD1-CD2 4.26Å; L410-F429 HydrophobicContact CD1-CE1 4.48Å; L410-F429 HydrophobicContact CD1-CE2 3.7Å; L410-F429 HydrophobicContact CD1-CZ 3.86Å; L410-V439 HydrophobicContact CD2-CB 4.43Å; L410-V439 HydrophobicContact CD2-CG1 3.82Å; L410-V439 HydrophobicContact CD2-CG2 4.38Å; L410-L443 HydrophobicContact CD1-CD1 4.31Å; L410-L443 HydrophobicContact CD1-CD2 4.31Å; L410-L443 HydrophobicContact CD2-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD2 4.02Å; L410-L443 HydrophobicContact CD2-CG 3.85Å; L410-L443 HydrophobicContact CG-CD2 4.08Å; L410-L443 HydrophobicContact CG-CG 4.44Å
411E95.4Very high94Very high171 Ų17160.1 Ų60.180%0.79934%0.337SS*.THydrogen-bonded Turntrans-44.5-40.8176.3178.1-174.5-168.800114.1F407 F413F407-E411 PolarHBondContact O-N 2.91Å; E411-F413 VanDerWaalsContact C-N 3.28Å; E411-F413 PolarHBondContact O-N 2.66Å
412P95.7Very high93.7Very high90 Ų9063.2 Ų63.258%0.58436%0.358SS*.THydrogen-bonded Turntrans-75.9-7.3-178-19.636000115.5L410L410-P412 VanDerWaalsContact O-N 3.09Å
413F97.2Very high93.3Very high23 Ų2364.1 Ų64.110%0.10137%0.365CS..SBendtrans-115149.4-171.9-52.1-82.1000112.2L410 E411 D435 Q438 V439 K442L410-F413 HydrophobicContact CD2-CD2 4.07Å; L410-F413 HydrophobicContact CD2-CE2 4.38Å; L410-F413 PolarHBondContact O-N 3Å; E411-F413 VanDerWaalsContact C-N 3.28Å; E411-F413 PolarHBondContact O-N 2.66Å; F413-D435 HydrophobicContact CD1-CB 3.92Å; F413-D435 HydrophobicContact CE1-CB 4.45Å; F413-Q438 HydrophobicContact CE1-CB 3.83Å; F413-Q438 HydrophobicContact CZ-CB 3.92Å; F413-V439 HydrophobicContact CB-CG2 4.08Å; F413-V439 HydrophobicContact CD1-CG2 3.76Å; F413-V439 HydrophobicContact CD2-CG2 3.8Å; F413-V439 HydrophobicContact CE1-CG2 4.04Å; F413-V439 HydrophobicContact CE2-CG2 4.08Å; F413-V439 HydrophobicContact CG-CG2 3.61Å; F413-V439 HydrophobicContact CZ-CG2 4.18Å; F413-K442 HydrophobicContact CE2-CD 3.58Å; F413-K442 HydrophobicContact CZ-CD 3.7Å
414N96.3Very high93.2Very high110 Ų11064 Ų6459%0.58836%0.358SS*.  trans-80.1127.5171.3-171.417.5000110.5P432N414-P432 WeakPolarHBondContact O-CD 3.22Å
415I96.7Very high93Very high44 Ų4457.5 Ų57.523%0.22633%0.33CS..  trans-106.4109.8176.4-57.7173.7000108.3F407 L410 I418 F429F407-I415 HydrophobicContact CD1-CD1 3.51Å; F407-I415 HydrophobicContact CE1-CD1 3.83Å; L410-I415 HydrophobicContact CB-CD1 4Å; L410-I415 HydrophobicContact CD1-CD1 3.93Å; I415-I418 HydrophobicContact CG2-CD1 4.12Å; I415-I418 HydrophobicContact CG2-CG1 3.59Å; I415-F429 HydrophobicContact CG2-CB 3.9Å
416R95.7Very high93Very high82 Ų8254.5 Ų54.531%0.30932%0.317SS..  trans-76.3-33.9-174.1179.660.3-170.187.1-2.3113L310 E383 L386 L430L310-R416 HydrophobicContact CD2-CG 3.81Å; L310-R416 VanDerWaalsContact CD2-CZ 3.5Å; E383-R416 IonicContact OE1-CZ 3Å; E383-R416 VanDerWaalsContact OE1-CZ 3.23Å; E383-R416 IonicContact OE1-NE 2.66Å; E383-R416 PolarHBondContact OE1-NE 2.91Å; E383-R416 IonicContact OE1-NH2 2.8Å; E383-R416 PolarHBondContact OE1-NH2 2.8Å; E383-R416 IonicContact OE2-CZ 2.91Å; E383-R416 IonicContact OE2-NE 3.99Å; E383-R416 PolarHBondContact OE2-NE 3.29Å; E383-R416 IonicContact OE2-NH2 3.23Å; L386-R416 HydrophobicContact CD1-CG 4.23Å; L386-R416 HydrophobicContact CD2-CG 4.45Å; R416-L430 HydrophobicContact CB-CB 4.18Å; R416-L430 PolarHBondContact N-O 3.48Å
417M95.5Very high92.9Very high9 Ų954.6 Ų54.64%0.04432%0.317CS..EExtended strand (participates in β ladder)trans-154143.9-176.5-179.1166.9169.600109.6L310 L341 T343 A350 C419 F429 L430L310-M417 HydrophobicContact CD1-SD 3.81Å; L341-M417 HydrophobicContact CB-CE 3.82Å; T343-M417 HydrophobicContact CG2-CE 3.54Å; T343-M417 HydrophobicContact CG2-CG 3.96Å; T343-M417 HydrophobicContact CG2-SD 3.96Å; A350-M417 HydrophobicContact CB-SD 4.23Å; M417-C419 WeakPolarHBondContact CE-SG 3.44Å; M417-F429 CarbonylContact O-C 3.58Å; M417-F429 WeakPolarHBondContact O-CA 3.3Å; M417-F429 WeakPolarHBondContact O-CB 3.44Å; M417-L430 HydrophobicContact CB-CB 3.94Å; M417-L430 HydrophobicContact CB-CD1 3.79Å; M417-L430 HydrophobicContact CB-CG 3.96Å; M417-L430 HydrophobicContact CG-CD1 4.34Å; M417-L430 PolarHBondContact O-N 3.48Å; M417-L430 HydrophobicContact SD-CD1 3.79Å
418I94.6Very high92.9Very high80 Ų8051.9 Ų51.941%0.4131%0.305SS..EExtended strand (participates in β ladder)trans-126.2131.2173.2-58.6169.2000107.6F407 I415 L427 F429F407-I418 HydrophobicContact CE1-CD1 3.78Å; F407-I418 HydrophobicContact CE1-CG1 4.14Å; F407-I418 HydrophobicContact CE2-CD1 4.48Å; F407-I418 HydrophobicContact CZ-CD1 3.75Å; F407-I418 HydrophobicContact CZ-CG1 4.13Å; F407-I418 HydrophobicContact CZ-CG2 3.85Å; I415-I418 HydrophobicContact CG2-CD1 4.12Å; I415-I418 HydrophobicContact CG2-CG1 3.59Å; I418-L427 HydrophobicContact CG2-CD1 4.09Å; I418-F429 HydrophobicContact CG1-CB 4.3Å
419C92.5Very high92.9Very high18 Ų1849.7 Ų49.712%0.12228%0.282CS..EExtended strand (participates in β ladder)trans-123.9118.2174.2-69.70000109.1L341 M417 C428L341-C419 HydrophobicContact CD1-CB 4.45Å; L341-C419 HydrophobicContact CD2-CB 4.26Å; M417-C419 WeakPolarHBondContact CE-SG 3.44Å; C419-C428 HydrophobicContact CB-CB 4.09Å; C419-C428 PolarHBondContact N-O 2.85Å; C419-C428 PolarHBondContact O-N 3.45Å
420Y91.1Very high93Very high102 Ų10248.2 Ų48.240%0.427%0.274SS..EExtended strand (participates in β ladder)trans-151.5145.1-176.7-170.6-137.5000111.8L396 S397 N426 L427L396-Y420 HydrophobicContact CB-CE2 4.1Å; L396-Y420 PolarHBondContact O-OH 3.47Å; S397-Y420 WeakPolarHBondContact CA-OH 3.41Å; S397-Y420 PolarHBondContact N-OH 2.85Å; Y420-N426 VanDerWaalsContact CD2-O 3.29Å; Y420-N426 WeakPolarHBondContact CD2-O 3.36Å; Y420-L427 HydrophobicContact CD1-CD1 4.32Å; Y420-L427 HydrophobicContact CD2-CB 3.94Å; Y420-L427 HydrophobicContact CD2-CD1 3.64Å; Y420-L427 HydrophobicContact CD2-CG 4.39Å; Y420-L427 HydrophobicContact CE2-CB 4.15Å; Y420-L427 HydrophobicContact CE2-CD1 4.35Å; Y420-L427 HydrophobicContact CG-CD1 3.61Å
421G83.7Confident93Very high53 Ų5348 Ų4855%0.54627%0.273SS..SBendtrans101.7-10.5169.200000116.2
422A85.3Confident93.1Very high111 Ų11141.3 Ų41.392%0.91724%0.244SC*.SBendtrans-73.7-31.317200000112.4
423S85.6Confident93.2Very high23 Ų2338.7 Ų38.716%0.16123%0.233CC..  trans-125.8146.3171.8177.70000108.9E250 H425 N426E250-S423 VanDerWaalsContact OE1-CB 3.31Å; E250-S423 WeakPolarHBondContact OE1-CB 3.19Å; E250-S423 PolarHBondContact OE1-OG 2.79Å; S423-H425 PolarHBondContact O-N 3.47Å; S423-H425 WeakPolarHBondContact OG-CB 3.38Å; S423-H425 PolarHBondContact OG-N 3.23Å; S423-N426 WeakPolarHBondContact CB-ND2 3.37Å
424S87.2Confident93.2Very high33 Ų3345.4 Ų45.423%0.23127%0.265CS..SBendtrans-77.1-4.816951.30000112.8D395 L396D395-S424 PolarHBondContact N-O 3.1Å; L396-S424 PolarHBondContact N-O 3.38Å
425H90.6Very high93.2Very high44 Ų4441.8 Ų41.820%0.20425%0.245CC..SBendtrans-103.8-9.9-173.1-65.1-73.9000114.6E250 I392 G393 N394 S423E250-H425 HydrophobicContact CG-CB 3.75Å; I392-H425 CarbonylContact C-O 3.58Å; I392-H425 VanDerWaalsContact CA-O 3.3Å; I392-H425 WeakPolarHBondContact CA-O 3.26Å; G393-H425 PolarHBondContact N-O 2.94Å; G393-H425 VanDerWaalsContact O-CA 3.22Å; G393-H425 WeakPolarHBondContact O-CA 3.33Å; G393-H425 WeakPolarHBondContact O-CB 3.44Å; G393-H425 PolarHBondContact O-ND1 3.31Å; N394-H425 PolarHBondContact OD1-ND1 3.03Å; S423-H425 PolarHBondContact O-N 3.47Å; S423-H425 WeakPolarHBondContact OG-CB 3.38Å; S423-H425 PolarHBondContact OG-N 3.23Å
426N92.4Very high93.2Very high14 Ų1439.7 Ų39.78%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-135.1150.5-177.372.353.1000113.4E250 F254 L391 Y420 S423E250-N426 VanDerWaalsContact CD-ND2 3.33Å; E250-N426 PolarHBondContact OE1-ND2 3.46Å; E250-N426 PolarHBondContact OE2-ND2 2.98Å; F254-N426 HydrophobicContact CD2-CB 4.48Å; F254-N426 HydrophobicContact CE2-CB 3.98Å; F254-N426 WeakPolarHBondContact CE2-ND2 3.46Å; L391-N426 CarbonylContact O-C 3.59Å; L391-N426 VanDerWaalsContact O-CA 3.26Å; L391-N426 WeakPolarHBondContact O-CA 3.46Å; Y420-N426 VanDerWaalsContact CD2-O 3.29Å; Y420-N426 WeakPolarHBondContact CD2-O 3.36Å; S423-N426 WeakPolarHBondContact CB-ND2 3.37Å
427L94.4Very high93.2Very high2 Ų240 Ų401%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-132.2113.3163.7169.966.2000107L391 L396 V406 F407 I418 Y420 F429L391-L427 HydrophobicContact CB-CB 4.33Å; L391-L427 HydrophobicContact CD2-CD2 4.37Å; L391-L427 PolarHBondContact N-O 2.87Å; L391-L427 PolarHBondContact O-N 3.48Å; L396-L427 HydrophobicContact CD1-CB 4.39Å; V406-L427 HydrophobicContact CB-CD2 4.16Å; V406-L427 HydrophobicContact CG1-CD2 3.85Å; V406-L427 HydrophobicContact CG2-CD2 4.09Å; F407-L427 HydrophobicContact CE2-CD2 4.21Å; F407-L427 HydrophobicContact CZ-CD1 4.14Å; F407-L427 HydrophobicContact CZ-CD2 4.11Å; I418-L427 HydrophobicContact CG2-CD1 4.09Å; Y420-L427 HydrophobicContact CD1-CD1 4.32Å; Y420-L427 HydrophobicContact CD2-CB 3.94Å; Y420-L427 HydrophobicContact CD2-CD1 3.64Å; Y420-L427 HydrophobicContact CD2-CG 4.39Å; Y420-L427 HydrophobicContact CE2-CB 4.15Å; Y420-L427 HydrophobicContact CE2-CD1 4.35Å; Y420-L427 HydrophobicContact CG-CD1 3.61Å; L427-F429 HydrophobicContact CG-CD1 4.33Å; L427-F429 HydrophobicContact CG-CE1 4.45Å
428C94.3Very high93.3Very high0 Ų044.2 Ų44.20%026%0.259CS..EExtended strand (participates in β ladder)trans-110.3142.9-174.4-67.80000110.8L341 L388 V389 C419L341-C428 HydrophobicContact CD1-CB 4.13Å; L341-C428 HydrophobicContact CD2-CB 4.1Å; L388-C428 HydrophobicContact CD1-CB 3.93Å; V389-C428 WeakPolarHBondContact O-CA 3.46Å; C419-C428 HydrophobicContact CB-CB 4.09Å; C419-C428 PolarHBondContact N-O 2.85Å; C419-C428 PolarHBondContact O-N 3.45Å
429F95.1Very high93.5Very high0 Ų040.4 Ų40.40%024%0.24CC..EExtended strand (participates in β ladder)trans-149.5150.5172.544.2-87.6000112.3V389 V406 F407 L410 I415 M417 I418 L427 V431 V439 L443V389-F429 HydrophobicContact CB-CD2 4.01Å; V389-F429 HydrophobicContact CB-CE2 3.51Å; V389-F429 HydrophobicContact CB-CZ 3.92Å; V389-F429 HydrophobicContact CG1-CE1 4.5Å; V389-F429 HydrophobicContact CG1-CE2 3.61Å; V389-F429 HydrophobicContact CG1-CZ 3.56Å; V389-F429 HydrophobicContact CG2-CE2 4.27Å; V389-F429 PolarHBondContact N-O 2.98Å; V389-F429 PolarHBondContact O-N 2.85Å; V406-F429 HydrophobicContact CG1-CE1 4.2Å; F407-F429 HydrophobicContact CE1-CD1 4.35Å; L410-F429 HydrophobicContact CD1-CD2 4.26Å; L410-F429 HydrophobicContact CD1-CE1 4.48Å; L410-F429 HydrophobicContact CD1-CE2 3.7Å; L410-F429 HydrophobicContact CD1-CZ 3.86Å; I415-F429 HydrophobicContact CG2-CB 3.9Å; M417-F429 CarbonylContact O-C 3.58Å; M417-F429 WeakPolarHBondContact O-CA 3.3Å; M417-F429 WeakPolarHBondContact O-CB 3.44Å; I418-F429 HydrophobicContact CG1-CB 4.3Å; L427-F429 HydrophobicContact CG-CD1 4.33Å; L427-F429 HydrophobicContact CG-CE1 4.45Å; F429-V431 HydrophobicContact CD2-CG1 4.13Å; F429-V439 HydrophobicContact CE2-CG1 3.81Å; F429-L443 HydrophobicContact CE2-CD1 4.05Å; F429-L443 HydrophobicContact CZ-CD1 3.5Å
430L96.7Very high93.7Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-98.3137.7175-64.7177.8000110.6Q308 L310 T352 L386 A387 L388 R416 M417Q308-L430 HydrophobicContact CB-CD2 4.29Å; Q308-L430 HydrophobicContact CG-CD2 4.36Å; L310-L430 HydrophobicContact CB-CD1 4.37Å; L310-L430 HydrophobicContact CD1-CD1 4.17Å; L310-L430 HydrophobicContact CD2-CD1 4.38Å; T352-L430 HydrophobicContact CG2-CD1 3.43Å; T352-L430 VanDerWaalsContact CG2-CD1 3.43Å; T352-L430 HydrophobicContact CG2-CD2 4.06Å; T352-L430 HydrophobicContact CG2-CG 4.23Å; L386-L430 HydrophobicContact CD1-CD1 4.2Å; A387-L430 WeakPolarHBondContact O-CA 3.49Å; L388-L430 HydrophobicContact CB-CD2 3.82Å; L388-L430 HydrophobicContact CD1-CD2 4.26Å; R416-L430 HydrophobicContact CB-CB 4.18Å; R416-L430 PolarHBondContact N-O 3.48Å; M417-L430 HydrophobicContact CB-CB 3.94Å; M417-L430 HydrophobicContact CB-CD1 3.79Å; M417-L430 HydrophobicContact CB-CG 3.96Å; M417-L430 HydrophobicContact CG-CD1 4.34Å; M417-L430 PolarHBondContact O-N 3.48Å; M417-L430 HydrophobicContact SD-CD1 3.79Å
431V97.7Very high94Very high0 Ų038.6 Ų38.60%023%0.233CC..EExtended strand (participates in β ladder)trans-132.2160.2175-63.40000109.7L386 A387 V389 F429 G433 A436 V439L386-V431 WeakPolarHBondContact CA-O 3.06Å; A387-V431 HydrophobicContact CB-CG2 4.3Å; A387-V431 PolarHBondContact N-O 2.79Å; A387-V431 PolarHBondContact O-N 2.71Å; V389-V431 HydrophobicContact CG2-CG2 4.19Å; F429-V431 HydrophobicContact CD2-CG1 4.13Å; V431-G433 PolarHBondContact O-N 3.49Å; V431-A436 HydrophobicContact CG2-CB 4.23Å; V431-V439 HydrophobicContact CG1-CG2 4.26Å; V431-V439 HydrophobicContact CG2-CG2 4.45Å
432P97.8Very high94.6Very high29 Ų2940.1 Ų40.119%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-51.4138166.3-25.835.8000111.1N414 E434 D435 A436N414-P432 WeakPolarHBondContact O-CD 3.22Å; P432-E434 HydrophobicContact CB-CG 4.07Å; P432-E434 PolarHBondContact O-N 3.5Å; P432-E434 VanDerWaalsContact O-N 3.16Å; P432-D435 PolarHBondContact O-N 3.38Å; P432-A436 PolarHBondContact O-N 3.32Å
433G96.4Very high95.2Very high35 Ų3534.8 Ų34.836%0.36118%0.181SC..THydrogen-bonded Turntrans-59.8-29.2-176.100000113.8G385 V431 D435 A436G385-G433 VanDerWaalsContact O-CA 3.26Å; G385-G433 WeakPolarHBondContact O-CA 3.25Å; G385-G433 PolarHBondContact O-N 3.45Å; V431-G433 PolarHBondContact O-N 3.49Å; G433-D435 VanDerWaalsContact C-N 3.33Å; G433-A436 WeakPolarHBondContact O-CB 3.39Å; G433-A436 PolarHBondContact O-N 2.95Å
434E97.2Very high95.8Very high164 Ų16433.7 Ų33.777%0.76617%0.173SC*.THydrogen-bonded Turntrans-68.8-26.8176.261-170.5-170.200114P432P432-E434 HydrophobicContact CB-CG 4.07Å; P432-E434 PolarHBondContact O-N 3.5Å; P432-E434 VanDerWaalsContact O-N 3.16Å
435D97.7Very high96.2Very high34 Ų3435.1 Ų35.118%0.18218%0.183CC..THydrogen-bonded Turntrans-89.9-15.8179.6-69.8-31.1000112.7F413 P432 G433 E437 Q438 V439F413-D435 HydrophobicContact CD1-CB 3.92Å; F413-D435 HydrophobicContact CE1-CB 4.45Å; P432-D435 PolarHBondContact O-N 3.38Å; G433-D435 VanDerWaalsContact C-N 3.33Å; D435-E437 PolarHBondContact O-N 3.37Å; D435-Q438 PolarHBondContact O-N 3.3Å; D435-Q438 VanDerWaalsContact O-N 3.1Å; D435-V439 HydrophobicContact CB-CG2 4.3Å; D435-V439 WeakPolarHBondContact O-CG2 3.45Å; D435-V439 PolarHBondContact O-N 3.35Å
436A96.1Very high96.5Very high1 Ų136.7 Ų36.71%0.00819%0.193CC..Hα-helixtrans-55.3-45-164.900000114.5L304 A387 V431 P432 G433 V440L304-A436 HydrophobicContact CD1-CB 3.85Å; A387-A436 HydrophobicContact CB-CB 3.38Å; V431-A436 HydrophobicContact CG2-CB 4.23Å; P432-A436 PolarHBondContact O-N 3.32Å; G433-A436 WeakPolarHBondContact O-CB 3.39Å; G433-A436 PolarHBondContact O-N 2.95Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.93Å; A436-V440 VanDerWaalsContact O-N 3.1Å
437E96.2Very high96.6Very high87 Ų8737.1 Ų37.141%0.40720%0.195SC..Hα-helixtrans-70.2-39.6-179.7-66.7-171178.900112.1V233 L304 R306 D435 V439 V440 Q441V233-E437 HydrophobicContact CG1-CB 4.13Å; V233-E437 HydrophobicContact CG1-CG 4.14Å; L304-E437 HydrophobicContact CD2-CG 4.43Å; R306-E437 IonicContact CZ-OE1 3.49Å; R306-E437 IonicContact NE-OE1 3.45Å; R306-E437 IonicContact NH2-OE1 2.77Å; R306-E437 PolarHBondContact NH2-OE1 3.06Å; D435-E437 PolarHBondContact O-N 3.37Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 2.93Å; E437-V440 PolarHBondContact O-N 3.24Å; E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.93Å
438Q97.5Very high96.6Very high98 Ų9838.4 Ų38.446%0.45820%0.201SC..Hα-helixtrans-65.9-38.1177.7-65-179.156.600111.5F413 D435 Q441 K442F413-Q438 HydrophobicContact CE1-CB 3.83Å; F413-Q438 HydrophobicContact CZ-CB 3.92Å; D435-Q438 PolarHBondContact O-N 3.3Å; D435-Q438 VanDerWaalsContact O-N 3.1Å; Q438-Q441 PolarHBondContact O-N 2.98Å; Q438-K442 PolarHBondContact O-N 2.8Å
439V97.7Very high96.4Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-59.9-50.5173.4165.60000110.4V389 L410 F413 F429 V431 D435 E437 Q441 K442 L443V389-V439 HydrophobicContact CG1-CG1 4.38Å; V389-V439 HydrophobicContact CG2-CG1 3.98Å; L410-V439 HydrophobicContact CD2-CB 4.43Å; L410-V439 HydrophobicContact CD2-CG1 3.82Å; L410-V439 HydrophobicContact CD2-CG2 4.38Å; F413-V439 HydrophobicContact CB-CG2 4.08Å; F413-V439 HydrophobicContact CD1-CG2 3.76Å; F413-V439 HydrophobicContact CD2-CG2 3.8Å; F413-V439 HydrophobicContact CE1-CG2 4.04Å; F413-V439 HydrophobicContact CE2-CG2 4.08Å; F413-V439 HydrophobicContact CG-CG2 3.61Å; F413-V439 HydrophobicContact CZ-CG2 4.18Å; F429-V439 HydrophobicContact CE2-CG1 3.81Å; V431-V439 HydrophobicContact CG1-CG2 4.26Å; V431-V439 HydrophobicContact CG2-CG2 4.45Å; D435-V439 HydrophobicContact CB-CG2 4.3Å; D435-V439 WeakPolarHBondContact O-CG2 3.45Å; D435-V439 PolarHBondContact O-N 3.35Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 2.93Å; V439-Q441 PolarHBondContact O-N 2.9Å; V439-K442 PolarHBondContact O-N 3.16Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 WeakPolarHBondContact O-CB 3.21Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.26Å; V439-L443 PolarHBondContact O-N 2.9Å
440V97Very high96.5Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-62.7-42.5178.1172.60000111.5T229 V233 V234 L302 L304 V389 A436 E437 H444T229-V440 WeakPolarHBondContact OG1-CG1 3.27Å; V233-V440 HydrophobicContact CG1-CB 4.17Å; V233-V440 HydrophobicContact CG1-CG1 3.96Å; V234-V440 HydrophobicContact CG2-CG1 4.03Å; L302-V440 HydrophobicContact CB-CG1 4.41Å; L302-V440 HydrophobicContact CD1-CG1 4.38Å; L304-V440 HydrophobicContact CB-CG2 4.18Å; L304-V440 HydrophobicContact CD1-CG2 4.41Å; L304-V440 HydrophobicContact CD2-CG2 4.24Å; L304-V440 HydrophobicContact CG-CG2 4.5Å; V389-V440 HydrophobicContact CG1-CG2 4.04Å; V389-V440 HydrophobicContact CG2-CG2 3.97Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.93Å; A436-V440 VanDerWaalsContact O-N 3.1Å; E437-V440 PolarHBondContact O-N 3.24Å; V440-H444 VanDerWaalsContact O-CB 3.25Å; V440-H444 WeakPolarHBondContact O-CB 3.36Å; V440-H444 PolarHBondContact O-N 3.37Å
441Q97.5Very high96.5Very high82 Ų8249.4 Ų49.438%0.38326%0.255SS..Hα-helixtrans-60.8-48.2178.3-76.5166.1-2.100112.3V233 V234 E437 Q438 V439 H444 S445V233-Q441 WeakPolarHBondContact O-CG 3.29Å; V233-Q441 PolarHBondContact O-NE2 3.17Å; V234-Q441 HydrophobicContact CG2-CB 4.43Å; V234-Q441 HydrophobicContact CG2-CG 3.84Å; E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 VanDerWaalsContact O-CG 3.22Å; E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.93Å; Q438-Q441 PolarHBondContact O-N 2.98Å; V439-Q441 PolarHBondContact O-N 2.9Å; Q441-H444 PolarHBondContact O-N 3.1Å; Q441-S445 WeakPolarHBondContact O-CB 3.24Å; Q441-S445 PolarHBondContact O-N 3.48Å
442K97.3Very high96.4Very high85 Ų8552.2 Ų52.237%0.3727%0.269SS..Hα-helixtrans-67.6-41180-77.5-177.7-179.5177.30112.6V409 F413 Q438 V439 H444 S445 N446V409-K442 HydrophobicContact CG1-CB 3.79Å; F413-K442 HydrophobicContact CE2-CD 3.58Å; F413-K442 HydrophobicContact CZ-CD 3.7Å; Q438-K442 PolarHBondContact O-N 2.8Å; V439-K442 PolarHBondContact O-N 3.16Å; K442-H444 VanDerWaalsContact C-N 3.34Å; K442-S445 PolarHBondContact O-N 3.01Å; K442-N446 WeakPolarHBondContact O-CB 3.48Å; K442-N446 PolarHBondContact O-N 2.67Å
443L97.5Very high96.3Very high0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-63.6-43.3174.4-72.3168000111.2L302 V389 V406 L410 F429 V439 S445 N446 L447L302-L443 HydrophobicContact CD1-CB 3.7Å; L302-L443 HydrophobicContact CD2-CB 4.23Å; L302-L443 HydrophobicContact CD2-CD1 4.09Å; V389-L443 HydrophobicContact CG1-CD1 4.18Å; V406-L443 HydrophobicContact CG1-CD2 3.95Å; L410-L443 HydrophobicContact CD1-CD1 4.31Å; L410-L443 HydrophobicContact CD1-CD2 4.31Å; L410-L443 HydrophobicContact CD2-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD2 4.02Å; L410-L443 HydrophobicContact CD2-CG 3.85Å; L410-L443 HydrophobicContact CG-CD2 4.08Å; L410-L443 HydrophobicContact CG-CG 4.44Å; F429-L443 HydrophobicContact CE2-CD1 4.05Å; F429-L443 HydrophobicContact CZ-CD1 3.5Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 WeakPolarHBondContact O-CB 3.21Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.26Å; V439-L443 PolarHBondContact O-N 2.9Å; L443-S445 PolarHBondContact O-N 2.89Å; L443-N446 PolarHBondContact O-N 3.16Å; L443-L447 HydrophobicContact CB-CD1 4.33Å; L443-L447 HydrophobicContact CD2-CD1 4.16Å; L443-L447 VanDerWaalsContact O-CB 3.26Å; L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.03Å
444H97.2Very high96.3Very high0 Ų054.7 Ų54.70%027%0.268CS..Hα-helixtrans-60.8-49.1178.9-170.9-84.3000111T228 V234 A236 L302 V440 Q441 K442 N446 L447 F448 E449T228-H444 PolarHBondContact OG1-NE2 3.45Å; V234-H444 HydrophobicContact CG1-CB 4.1Å; V234-H444 HydrophobicContact CG2-CB 4.05Å; A236-H444 PolarHBondContact O-CE1 3.19Å; L302-H444 HydrophobicContact CD1-CB 3.96Å; V440-H444 VanDerWaalsContact O-CB 3.25Å; V440-H444 WeakPolarHBondContact O-CB 3.36Å; V440-H444 PolarHBondContact O-N 3.37Å; Q441-H444 PolarHBondContact O-N 3.1Å; K442-H444 VanDerWaalsContact C-N 3.34Å; H444-N446 VanDerWaalsContact C-N 3.28Å; H444-N446 PolarHBondContact O-N 2.94Å; H444-L447 PolarHBondContact O-N 2.98Å; H444-F448 AromaticContact CD2-CD2 3.83Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 3.37Å; H444-E449 IonicContact CE1-OE1 2.76Å; H444-E449 IonicContact CG-OE1 2.7Å; H444-E449 IonicContact ND1-OE1 2.67Å; H444-E449 PolarHBondContact ND1-OE1 2.97Å
445S96.8Very high96.3Very high62 Ų6247.4 Ų47.443%0.43424%0.235SC..Hα-helixtrans-61.2-32.9178.6-177.40000113.5Q441 K442 L443 E449Q441-S445 WeakPolarHBondContact O-CB 3.24Å; Q441-S445 PolarHBondContact O-N 3.48Å; K442-S445 PolarHBondContact O-N 3.01Å; L443-S445 PolarHBondContact O-N 2.89Å; S445-E449 WeakPolarHBondContact CA-OE1 3.36Å
446N95.9Very high96.2Very high78 Ų7848.4 Ų48.442%0.41724%0.239SC..Hα-helixtrans-84.1-31.9178.8-17485.1000113.7V409 K442 L443 H444V409-N446 HydrophobicContact CG1-CB 4.3Å; V409-N446 HydrophobicContact CG2-CB 3.69Å; V409-N446 WeakPolarHBondContact CG2-ND2 3.43Å; K442-N446 WeakPolarHBondContact O-CB 3.48Å; K442-N446 PolarHBondContact O-N 2.67Å; L443-N446 PolarHBondContact O-N 3.16Å; H444-N446 VanDerWaalsContact C-N 3.28Å; H444-N446 PolarHBondContact O-N 2.94Å
447L95.1Very high96.2Very high22 Ų2252 Ų5212%0.11526%0.256CS..Hα-helixtrans-103-20.8-168.7-58175.5000113.7F299 L391 E405 V406 L443 H444F299-L447 HydrophobicContact CD1-CD1 4.49Å; F299-L447 HydrophobicContact CD2-CB 4.15Å; F299-L447 HydrophobicContact CD2-CD2 3.96Å; F299-L447 HydrophobicContact CD2-CG 4.49Å; F299-L447 HydrophobicContact CE2-CD2 3.71Å; F299-L447 HydrophobicContact CG-CB 4.36Å; F299-L447 HydrophobicContact CG-CD1 4.49Å; F299-L447 HydrophobicContact CG-CD2 4.5Å; F299-L447 HydrophobicContact CZ-CD2 4.01Å; L391-L447 HydrophobicContact CD1-CD1 3.85Å; L391-L447 HydrophobicContact CD2-CD1 4.11Å; E405-L447 HydrophobicContact CG-CD2 3.73Å; V406-L447 HydrophobicContact CG2-CD1 4.43Å; L443-L447 HydrophobicContact CB-CD1 4.33Å; L443-L447 HydrophobicContact CD2-CD1 4.16Å; L443-L447 VanDerWaalsContact O-CB 3.26Å; L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.03Å; H444-L447 PolarHBondContact O-N 2.98Å
448F94.4Very high96.2Very high29 Ų2949.1 Ų49.113%0.12724%0.244CC..THydrogen-bonded Turntrans-128.3-8.3-170.8-59.6-90.1000114.5T228 K238 F299 R300 L302 L391 H444T228-F448 HydrophobicContact CG2-CD1 3.95Å; T228-F448 HydrophobicContact CG2-CE1 4.32Å; K238-F448 PolarHBondContact NZ-O 3.32Å; F299-F448 HydrophobicContact CB-CE1 3.99Å; F299-F448 HydrophobicContact CB-CE2 4.46Å; F299-F448 HydrophobicContact CB-CZ 3.8Å; R300-F448 WeakPolarHBondContact O-CE1 3.45Å; L302-F448 HydrophobicContact CD1-CD2 4.45Å; L302-F448 HydrophobicContact CD1-CE2 3.89Å; L302-F448 HydrophobicContact CG-CE2 3.99Å; L391-F448 HydrophobicContact CD1-CE2 4.39Å; L391-F448 HydrophobicContact CD1-CZ 4.28Å; H444-F448 AromaticContact CD2-CD2 3.83Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 3.37Å
449E90.3Very high96.1Very high133 Ų13344.6 Ų44.662%0.62122%0.224SC*.  trans-115.70179.8-63.4171.1-136.800110.2A236 H444 S445A236-E449 HydrophobicContact CB-CG 4.23Å; A236-E449 VanDerWaalsContact CB-OE1 3.27Å; A236-E449 WeakPolarHBondContact CB-OE1 3.27Å; H444-E449 IonicContact CE1-OE1 2.76Å; H444-E449 IonicContact CG-OE1 2.7Å; H444-E449 IonicContact ND1-OE1 2.67Å; H444-E449 PolarHBondContact ND1-OE1 2.97Å; S445-E449 WeakPolarHBondContact CA-OE1 3.36Å

Retrieved 449 of 449 residues in 90.2 ms (Link to these results)

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