A0A077ZKR4_TRITR Loading...

HTH 1 and LysR substrate domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZKR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M62.1Low92.6Very high219 Ų21972.5 Ų72.5100%1.07935%0.349SS*.  0119.70-175.4174.774.100106.9
2H86.5Confident93Very high154 Ų15466.8 Ų66.871%0.71332%0.322SS*.  trans-95.2-34.7-175.3-67-70.1000112.8Q44H2-Q44 HydrophobicContact CB-CG 4.25Å; H2-Q44 PolarHBondContact O-NE2 2.86Å; H2-Q44 VanDerWaalsContact O-NE2 3.15Å; H2-Q44 PolarHBondContact O-OE1 2.91Å; H2-Q44 VanDerWaalsContact O-OE1 3.09Å
3I94Very high93.3Very high59 Ų5964.2 Ų64.230%0.30331%0.309SS..  trans-73.7131.1-179.7-58.4170000109.7L8 L41 Q44 L45I3-L8 HydrophobicContact CG2-CD1 4.37Å; I3-L8 HydrophobicContact CG2-CD2 3.86Å; I3-L8 HydrophobicContact CG2-CG 3.99Å; I3-L41 HydrophobicContact CD1-CD1 4.43Å; I3-L41 HydrophobicContact CG1-CD1 4.13Å; I3-L41 HydrophobicContact CG2-CD1 3.77Å; I3-Q44 VanDerWaalsContact CA-OE1 3.24Å; I3-Q44 VanDerWaalsContact CG1-OE1 3.32Å; I3-L45 HydrophobicContact CD1-CD2 3.71Å; I3-L45 HydrophobicContact CD1-CG 4.43Å
4T95.9Very high93.5Very high68 Ų6859.6 Ų59.642%0.41729%0.287SS..  trans-106.6153.3179.666.70000111.7R6 Q7 L8T4-R6 PolarHBondContact O-N 3.49Å; T4-Q7 WeakPolarHBondContact O-CB 3.33Å; T4-Q7 PolarHBondContact O-N 2.94Å; T4-Q7 VanDerWaalsContact O-N 3.14Å; T4-Q7 VanDerWaalsContact OG1-CD 3.29Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.37Å; T4-Q7 PolarHBondContact OG1-N 3.09Å; T4-Q7 PolarHBondContact OG1-OE1 3.21Å; T4-L8 PolarHBondContact O-N 2.89Å
5L95.3Very high93.7Very high86 Ų8658.5 Ų58.545%0.4528%0.283SS..Hα-helixtrans-58.4-38.4174-67.5173.6000111.7Q7 L8 E9 L74 A77L5-Q7 VanDerWaalsContact C-N 3.29Å; L5-Q7 PolarHBondContact O-N 3.09Å; L5-L8 WeakPolarHBondContact O-CB 3.11Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-E9 WeakPolarHBondContact O-CG 3.37Å; L5-E9 PolarHBondContact O-N 3.15Å; L5-L74 HydrophobicContact CB-CD2 4.44Å; L5-L74 HydrophobicContact CD2-CD2 4.36Å; L5-A77 HydrophobicContact CD1-CB 3.62Å; L5-A77 HydrophobicContact CD2-CB 4.13Å
6R96Very high93.6Very high132 Ų13262.4 Ų62.450%0.49830%0.298SS..Hα-helixtrans-60.2-37.7177.2-175.36065.2-177.75.8112.6T4 E9 V10T4-R6 PolarHBondContact O-N 3.49Å; R6-E9 WeakPolarHBondContact CD-OE2 3.49Å; R6-E9 IonicContact CZ-OE2 2.88Å; R6-E9 IonicContact NE-OE2 3.74Å; R6-E9 PolarHBondContact NE-OE2 3.34Å; R6-E9 IonicContact NH1-OE2 2.74Å; R6-E9 PolarHBondContact NH1-OE2 3.18Å; R6-E9 IonicContact NH2-OE2 2.82Å; R6-E9 PolarHBondContact O-N 3.09Å; R6-V10 WeakPolarHBondContact O-CG2 3.45Å; R6-V10 PolarHBondContact O-N 3.04Å
7Q97.8Very high93.5Very high9 Ų961.1 Ų61.14%0.04230%0.298CS..Hα-helixtrans-66.7-39.6174.6-75.8165.8-41.200111.9T4 L5 V10 F11 A37 D40 L41T4-Q7 WeakPolarHBondContact O-CB 3.33Å; T4-Q7 PolarHBondContact O-N 2.94Å; T4-Q7 VanDerWaalsContact O-N 3.14Å; T4-Q7 VanDerWaalsContact OG1-CD 3.29Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.37Å; T4-Q7 PolarHBondContact OG1-N 3.09Å; T4-Q7 PolarHBondContact OG1-OE1 3.21Å; L5-Q7 VanDerWaalsContact C-N 3.29Å; L5-Q7 PolarHBondContact O-N 3.09Å; Q7-V10 PolarHBondContact O-N 3.34Å; Q7-F11 WeakPolarHBondContact O-CB 3.13Å; Q7-F11 PolarHBondContact O-N 3.13Å; Q7-A37 HydrophobicContact CG-CB 4.29Å; Q7-D40 PolarHBondContact NE2-OD2 3.23Å; Q7-L41 HydrophobicContact CB-CB 4.16Å; Q7-L41 HydrophobicContact CB-CD1 4.29Å; Q7-L41 HydrophobicContact CB-CD2 4.42Å; Q7-L41 HydrophobicContact CG-CB 4.43Å
8L97.8Very high93.5Very high8 Ų858.8 Ų58.84%0.04229%0.292CS..Hα-helixtrans-65.9-39.4176-61.8179.9000111.8I3 T4 L5 F11 A12 L41 A70 L73 L74I3-L8 HydrophobicContact CG2-CD1 4.37Å; I3-L8 HydrophobicContact CG2-CD2 3.86Å; I3-L8 HydrophobicContact CG2-CG 3.99Å; T4-L8 PolarHBondContact O-N 2.89Å; L5-L8 WeakPolarHBondContact O-CB 3.11Å; L5-L8 PolarHBondContact O-N 3.24Å; L8-F11 PolarHBondContact O-N 3.4Å; L8-A12 WeakPolarHBondContact O-CB 3.25Å; L8-A12 PolarHBondContact O-N 3.4Å; L8-L41 HydrophobicContact CD2-CD1 4.45Å; L8-A70 HydrophobicContact CB-CB 4.28Å; L8-A70 HydrophobicContact CD2-CB 3.93Å; L8-A70 HydrophobicContact CG-CB 4.49Å; L8-L73 HydrophobicContact CD1-CB 4.27Å; L8-L73 HydrophobicContact CD1-CD1 3.87Å; L8-L74 HydrophobicContact CB-CD1 4.38Å; L8-L74 HydrophobicContact CB-CD2 4.1Å; L8-L74 HydrophobicContact CB-CG 4.26Å
9E97.2Very high93.5Very high62 Ų6257.2 Ų57.229%0.2929%0.287SS..Hα-helixtrans-60.2-47.8172.9-69.7175.9161.800111.5L5 R6 F11 A12 E13 L74L5-E9 WeakPolarHBondContact O-CG 3.37Å; L5-E9 PolarHBondContact O-N 3.15Å; R6-E9 WeakPolarHBondContact CD-OE2 3.49Å; R6-E9 IonicContact CZ-OE2 2.88Å; R6-E9 IonicContact NE-OE2 3.74Å; R6-E9 PolarHBondContact NE-OE2 3.34Å; R6-E9 IonicContact NH1-OE2 2.74Å; R6-E9 PolarHBondContact NH1-OE2 3.18Å; R6-E9 IonicContact NH2-OE2 2.82Å; R6-E9 PolarHBondContact O-N 3.09Å; E9-F11 PolarHBondContact O-N 2.88Å; E9-A12 PolarHBondContact O-N 3.26Å; E9-E13 WeakPolarHBondContact O-CB 3.41Å; E9-E13 PolarHBondContact O-N 3.38Å; E9-L74 HydrophobicContact CB-CD2 4.47Å; E9-L74 HydrophobicContact CG-CD1 4.14Å; E9-L74 HydrophobicContact CG-CD2 3.44Å; E9-L74 VanDerWaalsContact CG-CD2 3.44Å; E9-L74 HydrophobicContact CG-CG 4.41Å
10V98Very high93.6Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-58.6-48.2176.9162.40000111R6 Q7 E13 V14 L27 L29 V34 A37 L38R6-V10 WeakPolarHBondContact O-CG2 3.45Å; R6-V10 PolarHBondContact O-N 3.04Å; Q7-V10 PolarHBondContact O-N 3.34Å; V10-E13 PolarHBondContact O-N 3.24Å; V10-V14 HydrophobicContact CG1-CG2 4.42Å; V10-V14 WeakPolarHBondContact O-CB 3.42Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 2.9Å; V10-L27 HydrophobicContact CB-CD1 4.45Å; V10-L27 HydrophobicContact CG2-CD1 3.84Å; V10-L29 HydrophobicContact CG2-CD1 4.21Å; V10-V34 HydrophobicContact CG1-CG1 3.93Å; V10-V34 WeakPolarHBondContact CG1-O 3.43Å; V10-A37 HydrophobicContact CB-CB 4.24Å; V10-A37 HydrophobicContact CG1-CB 4.12Å; V10-A37 HydrophobicContact CG2-CB 3.98Å; V10-L38 HydrophobicContact CG1-CB 4.09Å
11F98.2Very high93.7Very high0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-59.4-49.1177.5160.5-110.2000112.2Q7 L8 E9 E13 V14 L15 L38 L41 L49 F50 G63 L66 Y67 A70Q7-F11 WeakPolarHBondContact O-CB 3.13Å; Q7-F11 PolarHBondContact O-N 3.13Å; L8-F11 PolarHBondContact O-N 3.4Å; E9-F11 PolarHBondContact O-N 2.88Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.42Å; F11-V14 PolarHBondContact O-N 3.23Å; F11-L15 HydrophobicContact CE2-CD1 4.43Å; F11-L15 HydrophobicContact CZ-CD1 4.15Å; F11-L15 PolarHBondContact O-N 3.01Å; F11-L38 HydrophobicContact CB-CD1 4.48Å; F11-L41 HydrophobicContact CB-CD2 3.6Å; F11-L41 HydrophobicContact CG-CD2 4.12Å; F11-L49 HydrophobicContact CD2-CB 4.26Å; F11-L49 HydrophobicContact CD2-CD1 3.71Å; F11-L49 HydrophobicContact CE2-CB 3.97Å; F11-L49 HydrophobicContact CE2-CD1 3.96Å; F11-L49 HydrophobicContact CE2-CG 4.42Å; F11-L49 HydrophobicContact CG-CD1 4.31Å; F11-F50 AromaticContact CD2-CE2 3.58Å; F11-F50 HydrophobicContact CD2-CE2 3.58Å; F11-F50 AromaticContact CD2-CZ 3.67Å; F11-F50 HydrophobicContact CD2-CZ 3.67Å; F11-F50 AromaticContact CE2-CE2 3.92Å; F11-F50 HydrophobicContact CE2-CE2 3.92Å; F11-F50 AromaticContact CE2-CZ 3.74Å; F11-F50 HydrophobicContact CE2-CZ 3.74Å; F11-G63 WeakPolarHBondContact CZ-O 3.26Å; F11-L66 HydrophobicContact CD1-CD2 3.84Å; F11-L66 HydrophobicContact CD1-CG 4.15Å; F11-L66 HydrophobicContact CD2-CD2 4.5Å; F11-L66 HydrophobicContact CE1-CB 3.99Å; F11-L66 HydrophobicContact CE1-CD2 3.66Å; F11-L66 HydrophobicContact CE1-CG 3.61Å; F11-L66 HydrophobicContact CE2-CD2 4.4Å; F11-L66 HydrophobicContact CG-CD2 4.26Å; F11-L66 HydrophobicContact CZ-CB 4.02Å; F11-L66 HydrophobicContact CZ-CD2 3.99Å; F11-L66 HydrophobicContact CZ-CG 4.09Å; F11-Y67 HydrophobicContact CE1-CD2 4.32Å; F11-A70 HydrophobicContact CD1-CB 3.95Å; F11-A70 HydrophobicContact CE1-CB 3.97Å
12A97.2Very high95.2Very high4 Ų450.3 Ų50.33%0.03326%0.256CS..Hα-helixtrans-61.3-40.8179.600000111.9L8 E9 L15 K16 Y67 L74L8-A12 WeakPolarHBondContact O-CB 3.25Å; L8-A12 PolarHBondContact O-N 3.4Å; E9-A12 PolarHBondContact O-N 3.26Å; A12-L15 PolarHBondContact O-N 3.29Å; A12-K16 WeakPolarHBondContact O-CG 3.22Å; A12-K16 PolarHBondContact O-N 3.45Å; A12-Y67 HydrophobicContact CB-CD2 4.43Å; A12-Y67 HydrophobicContact CB-CE2 4.07Å; A12-L74 HydrophobicContact CB-CD1 4.16Å
13E96.7Very high95.7Very high33 Ų3343 Ų4315%0.15422%0.222CC..Hα-helixtrans-74-35.8-179.8-17058.2-149.900112.9E9 V10 F11 L15 K16 S17 A23 M26 L27E9-E13 WeakPolarHBondContact O-CB 3.41Å; E9-E13 PolarHBondContact O-N 3.38Å; V10-E13 PolarHBondContact O-N 3.24Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.42Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.47Å; E13-K16 PolarHBondContact O-N 3.05Å; E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.35Å; E13-S17 PolarHBondContact O-OG 2.95Å; E13-A23 HydrophobicContact CB-CB 4.19Å; E13-A23 HydrophobicContact CG-CB 3.77Å; E13-M26 HydrophobicContact CG-CB 4.05Å; E13-M26 WeakPolarHBondContact OE1-CB 3.36Å; E13-M26 WeakPolarHBondContact OE1-CG 3.48Å; E13-L27 HydrophobicContact CB-CD1 3.9Å; E13-L27 HydrophobicContact CB-CD2 4.24Å; E13-L27 HydrophobicContact CB-CG 4.12Å; E13-L27 HydrophobicContact CG-CD1 4.21Å; E13-L27 HydrophobicContact CG-CD2 4.3Å; E13-L27 HydrophobicContact CG-CG 3.98Å
14V97Very high95.8Very high0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-63.8-38.2172.4171.80000110.8V10 F11 G18 T20 A23 V34 L38 F50 L57V10-V14 HydrophobicContact CG1-CG2 4.42Å; V10-V14 WeakPolarHBondContact O-CB 3.42Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 2.9Å; F11-V14 PolarHBondContact O-N 3.23Å; V14-G18 WeakPolarHBondContact O-CA 3.35Å; V14-G18 PolarHBondContact O-N 2.92Å; V14-T20 HydrophobicContact CG2-CG2 4.11Å; V14-A23 HydrophobicContact CG2-CB 3.69Å; V14-V34 HydrophobicContact CG2-CG1 3.94Å; V14-L38 HydrophobicContact CG1-CD2 4.18Å; V14-L38 HydrophobicContact CG2-CD2 4.45Å; V14-F50 HydrophobicContact CB-CE2 4.3Å; V14-F50 HydrophobicContact CB-CZ 4.03Å; V14-F50 HydrophobicContact CG1-CD2 4.39Å; V14-F50 HydrophobicContact CG1-CE1 4.06Å; V14-F50 HydrophobicContact CG1-CE2 3.85Å; V14-F50 HydrophobicContact CG1-CZ 3.69Å; V14-L57 HydrophobicContact CG1-CB 4.38Å; V14-L57 HydrophobicContact CG1-CD1 3.62Å
15L95.4Very high95.9Very high44 Ų4442.2 Ų42.223%0.2322%0.221CC..Hα-helixtrans-62.2-47.6174.1-175.4155.5000111.7F11 A12 E13 F50 V59 Y67F11-L15 HydrophobicContact CE2-CD1 4.43Å; F11-L15 HydrophobicContact CZ-CD1 4.15Å; F11-L15 PolarHBondContact O-N 3.01Å; A12-L15 PolarHBondContact O-N 3.29Å; E13-L15 VanDerWaalsContact C-N 3.29Å; E13-L15 PolarHBondContact O-N 3.47Å; L15-F50 HydrophobicContact CB-CE1 3.95Å; L15-F50 HydrophobicContact CB-CZ 3.97Å; L15-V59 HydrophobicContact CD1-CB 3.99Å; L15-V59 HydrophobicContact CD1-CG1 4.36Å; L15-V59 HydrophobicContact CD1-CG2 3.6Å; L15-V59 HydrophobicContact CG-CB 4.18Å; L15-V59 HydrophobicContact CG-CG1 4.47Å; L15-V59 HydrophobicContact CG-CG2 4.33Å; L15-Y67 HydrophobicContact CD1-CD1 4.27Å; L15-Y67 HydrophobicContact CD1-CD2 3.65Å; L15-Y67 HydrophobicContact CD1-CE2 4.28Å; L15-Y67 HydrophobicContact CD1-CG 3.63Å; L15-Y67 HydrophobicContact CD2-CD1 4.45Å; L15-Y67 HydrophobicContact CD2-CD2 4.2Å; L15-Y67 HydrophobicContact CD2-CE1 4.27Å; L15-Y67 HydrophobicContact CD2-CE2 4.01Å; L15-Y67 HydrophobicContact CD2-CG 4.41Å; L15-Y67 HydrophobicContact CG-CD2 4.4Å
16K92.4Very high95.9Very high120 Ų12044.3 Ų44.352%0.52223%0.229SC..Hα-helixtrans-65-43.5-179.9-71.6172.4-175.9178.10112.8A12 E13 Y67A12-K16 WeakPolarHBondContact O-CG 3.22Å; A12-K16 PolarHBondContact O-N 3.45Å; E13-K16 PolarHBondContact O-N 3.05Å; K16-Y67 VanDerWaalsContact CE-OH 3.27Å; K16-Y67 WeakPolarHBondContact CE-OH 3.33Å
17S92.6Very high95.9Very high41 Ų4139.9 Ų39.929%0.28722%0.216SC..Hα-helixtrans-89.3-17.4-173.965.80000114.3E13 S19E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.35Å; E13-S17 PolarHBondContact O-OG 2.95Å; S17-S19 PolarHBondContact O-N 3.23Å; S17-S19 PolarHBondContact OG-O 2.87Å; S17-S19 VanDerWaalsContact OG-O 3.08Å
18G93.2Very high95.9Very high19 Ų1943.9 Ų43.920%0.19625%0.25CC..SBendtrans68.78.5-177.200000114.9V14 L57V14-G18 WeakPolarHBondContact O-CA 3.35Å; V14-G18 PolarHBondContact O-N 2.92Å; G18-L57 PolarHBondContact O-N 2.98Å; G18-L57 VanDerWaalsContact O-N 3.11Å
19S93.8Very high95.8Very high29 Ų2946.3 Ų46.320%0.20326%0.263CS..SBendtrans-155.6146178.996.80000113.1S17 T21 Q22 A23S17-S19 PolarHBondContact O-N 3.23Å; S17-S19 PolarHBondContact OG-O 2.87Å; S17-S19 VanDerWaalsContact OG-O 3.08Å; S19-T21 VanDerWaalsContact C-N 3.32Å; S19-T21 PolarHBondContact O-N 3.17Å; S19-T21 PolarHBondContact OG-N 3.24Å; S19-Q22 WeakPolarHBondContact OG-CB 3.48Å; S19-Q22 WeakPolarHBondContact OG-CG 3.14Å; S19-Q22 PolarHBondContact OG-N 2.89Å; S19-A23 WeakPolarHBondContact O-CB 3.38Å; S19-A23 PolarHBondContact O-N 3.15Å; S19-A23 VanDerWaalsContact O-N 3.11Å
20T94.6Very high95.8Very high21 Ų2146.2 Ų46.213%0.12927%0.269CS..Hα-helixtrans-68.7-29.1174.653.10000113.2V14 S24 V34 L38 L57V14-T20 HydrophobicContact CG2-CG2 4.11Å; T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 3.28Å; T20-V34 HydrophobicContact CG2-CG1 4.05Å; T20-L38 HydrophobicContact CG2-CD2 4.46Å; T20-L57 HydrophobicContact CG2-CD1 3.84Å
21T95.5Very high95.7Very high61 Ų6150.7 Ų50.737%0.37429%0.29SS..Hα-helixtrans-66.5-49.5177.1-56.10000111.1S19 S24 V25 Q31S19-T21 VanDerWaalsContact C-N 3.32Å; S19-T21 PolarHBondContact O-N 3.17Å; S19-T21 PolarHBondContact OG-N 3.24Å; T21-S24 PolarHBondContact O-N 2.92Å; T21-S24 PolarHBondContact O-OG 3.45Å; T21-V25 PolarHBondContact O-N 2.98Å; T21-Q31 PolarHBondContact OG1-NE2 3.14Å; T21-Q31 PolarHBondContact OG1-OE1 2.85Å
22Q94.9Very high95.7Very high107 Ų10754.9 Ų54.950%0.532%0.319SS..Hα-helixtrans-64.5-43.3177.2-67.7-60-2800111.7S19 S24 V25 M26S19-Q22 WeakPolarHBondContact OG-CB 3.48Å; S19-Q22 WeakPolarHBondContact OG-CG 3.14Å; S19-Q22 PolarHBondContact OG-N 2.89Å; Q22-S24 PolarHBondContact O-N 3.15Å; Q22-V25 PolarHBondContact O-N 3.49Å; Q22-V25 VanDerWaalsContact O-N 3.11Å; Q22-M26 PolarHBondContact O-N 2.94Å
23A96.1Very high95.7Very high0 Ų056.6 Ų56.60%033%0.333CS..Hα-helixtrans-58.4-36.5174.400000112.7E13 V14 S19 V25 M26 L27 V34E13-A23 HydrophobicContact CB-CB 4.19Å; E13-A23 HydrophobicContact CG-CB 3.77Å; V14-A23 HydrophobicContact CG2-CB 3.69Å; S19-A23 WeakPolarHBondContact O-CB 3.38Å; S19-A23 PolarHBondContact O-N 3.15Å; S19-A23 VanDerWaalsContact O-N 3.11Å; A23-V25 VanDerWaalsContact C-N 3.34Å; A23-V25 PolarHBondContact O-N 3.35Å; A23-M26 PolarHBondContact O-N 2.82Å; A23-L27 WeakPolarHBondContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.25Å; A23-V34 HydrophobicContact CB-CG1 4.2Å
24S97.2Very high95.8Very high11 Ų1155 Ų558%0.07733%0.326CS..Hα-helixtrans-64.7-37.217777.40000113T20 T21 Q22 A28 L29T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 3.28Å; T21-S24 PolarHBondContact O-N 2.92Å; T21-S24 PolarHBondContact O-OG 3.45Å; Q22-S24 PolarHBondContact O-N 3.15Å; S24-A28 WeakPolarHBondContact O-CA 3.34Å; S24-A28 PolarHBondContact O-N 3.38Å; S24-A28 VanDerWaalsContact O-N 3.12Å; S24-L29 CarbonylContact C-O 3.47Å; S24-L29 VanDerWaalsContact CB-O 3.31Å; S24-L29 WeakPolarHBondContact CB-O 3.36Å; S24-L29 PolarHBondContact O-N 2.97Å; S24-L29 VanDerWaalsContact O-O 3.08Å
25V97.1Very high95.7Very high100 Ų10057 Ų5761%0.60634%0.339SS*.Hα-helixtrans-67.7-47.6174.6176.80000110.4T21 Q22 A23 L27 A28T21-V25 PolarHBondContact O-N 2.98Å; Q22-V25 PolarHBondContact O-N 3.49Å; Q22-V25 VanDerWaalsContact O-N 3.11Å; A23-V25 VanDerWaalsContact C-N 3.34Å; A23-V25 PolarHBondContact O-N 3.35Å; V25-L27 PolarHBondContact O-N 2.88Å; V25-A28 PolarHBondContact O-N 3.31Å
26M95.6Very high95.8Very high129 Ų12957.8 Ų57.864%0.63535%0.352SS*.Hα-helixtrans-65.4-35.9-178-68.2-57.5-61.900113.3E13 Q22 A23E13-M26 HydrophobicContact CG-CB 4.05Å; E13-M26 WeakPolarHBondContact OE1-CB 3.36Å; E13-M26 WeakPolarHBondContact OE1-CG 3.48Å; Q22-M26 PolarHBondContact O-N 2.94Å; A23-M26 PolarHBondContact O-N 2.82Å
27L96.2Very high96.1Very high40 Ų4053 Ų5321%0.20934%0.335CS..THydrogen-bonded Turntrans-89.7-1178.6-62.7174.2000113.6V10 E13 A23 V25 L29V10-L27 HydrophobicContact CB-CD1 4.45Å; V10-L27 HydrophobicContact CG2-CD1 3.84Å; E13-L27 HydrophobicContact CB-CD1 3.9Å; E13-L27 HydrophobicContact CB-CD2 4.24Å; E13-L27 HydrophobicContact CB-CG 4.12Å; E13-L27 HydrophobicContact CG-CD1 4.21Å; E13-L27 HydrophobicContact CG-CD2 4.3Å; E13-L27 HydrophobicContact CG-CG 3.98Å; A23-L27 WeakPolarHBondContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.25Å; V25-L27 PolarHBondContact O-N 2.88Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 HydrophobicContact CB-CD1 3.99Å; L27-L29 HydrophobicContact CB-CG 4.03Å; L27-L29 HydrophobicContact CD1-CD1 4.34Å; L27-L29 PolarHBondContact O-N 3.33Å
28A96.9Very high96.3Very high92 Ų9251.5 Ų51.576%0.7632%0.324SS*.THydrogen-bonded Turntrans51.744.5-172.200000113.2S24 V25S24-A28 WeakPolarHBondContact O-CA 3.34Å; S24-A28 PolarHBondContact O-N 3.38Å; S24-A28 VanDerWaalsContact O-N 3.12Å; V25-A28 PolarHBondContact O-N 3.31Å
29L96.6Very high96.5Very high59 Ų5955 Ų5531%0.30934%0.342SS..  trans-116.6162.9178-66.7177.6000110.8V10 S24 L27 V34V10-L29 HydrophobicContact CG2-CD1 4.21Å; S24-L29 CarbonylContact C-O 3.47Å; S24-L29 VanDerWaalsContact CB-O 3.31Å; S24-L29 WeakPolarHBondContact CB-O 3.36Å; S24-L29 PolarHBondContact O-N 2.97Å; S24-L29 VanDerWaalsContact O-O 3.08Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 HydrophobicContact CB-CD1 3.99Å; L27-L29 HydrophobicContact CB-CG 4.03Å; L27-L29 HydrophobicContact CD1-CD1 4.34Å; L27-L29 PolarHBondContact O-N 3.33Å; L29-V34 HydrophobicContact CB-CG2 3.89Å; L29-V34 HydrophobicContact CD1-CG2 4.16Å
30S97.5Very high96.7Very high61 Ų6157.6 Ų57.643%0.42735%0.353SS..  trans-71.1148.6166.370.60000110.3S32 A33 V34S30-S32 PolarHBondContact O-N 3.05Å; S30-S32 PolarHBondContact OG-OG 3.27Å; S30-A33 PolarHBondContact O-N 3.09Å; S30-A33 VanDerWaalsContact OG-CB 3.27Å; S30-A33 WeakPolarHBondContact OG-CB 3.23Å; S30-A33 PolarHBondContact OG-N 3.18Å; S30-A33 VanDerWaalsContact OG-N 3.08Å; S30-V34 PolarHBondContact O-N 3.22Å
31Q96Very high96.8Very high94 Ų9456.6 Ų56.644%0.43935%0.347SS..Hα-helixtrans-57.9-32.7174.7-177179.9-20.900112.3T21 S35T21-Q31 PolarHBondContact OG1-NE2 3.14Å; T21-Q31 PolarHBondContact OG1-OE1 2.85Å; Q31-S35 WeakPolarHBondContact O-CB 3.39Å; Q31-S35 PolarHBondContact O-N 3.26Å; Q31-S35 PolarHBondContact O-OG 2.88Å
32S97.2Very high96.9Very high88 Ų8854.4 Ų54.462%0.61533%0.333SS*.Hα-helixtrans-67.9-39175.354.80000112.3S30 S35 A36S30-S32 PolarHBondContact O-N 3.05Å; S30-S32 PolarHBondContact OG-OG 3.27Å; S32-S35 PolarHBondContact O-N 3.3Å; S32-A36 VanDerWaalsContact O-CB 3.27Å; S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.4Å
33A97.7Very high97.1Very high39 Ų3952.1 Ų52.132%0.32234%0.338SS..Hα-helixtrans-65.9-43.3175.900000111.8S30 A36 A37S30-A33 PolarHBondContact O-N 3.09Å; S30-A33 VanDerWaalsContact OG-CB 3.27Å; S30-A33 WeakPolarHBondContact OG-CB 3.23Å; S30-A33 PolarHBondContact OG-N 3.18Å; S30-A33 VanDerWaalsContact OG-N 3.08Å; A33-A36 PolarHBondContact O-N 2.87Å; A33-A37 WeakPolarHBondContact O-CB 3.06Å; A33-A37 PolarHBondContact O-N 2.98Å
34V97.6Very high97.1Very high0 Ų055.1 Ų55.10%035%0.352CS..Hα-helixtrans-59.8-47.6173.7171.70000110.9V10 V14 T20 A23 L29 S30 A37 L38V10-V34 HydrophobicContact CG1-CG1 3.93Å; V10-V34 WeakPolarHBondContact CG1-O 3.43Å; V14-V34 HydrophobicContact CG2-CG1 3.94Å; T20-V34 HydrophobicContact CG2-CG1 4.05Å; A23-V34 HydrophobicContact CB-CG1 4.2Å; L29-V34 HydrophobicContact CB-CG2 3.89Å; L29-V34 HydrophobicContact CD1-CG2 4.16Å; S30-V34 PolarHBondContact O-N 3.22Å; V34-A37 PolarHBondContact O-N 3.27Å; V34-L38 WeakPolarHBondContact O-CB 3.07Å; V34-L38 PolarHBondContact O-N 2.91Å
35S96.3Very high97Very high41 Ų4157.6 Ų57.629%0.28736%0.364SS..Hα-helixtrans-64.1-43.8-179.6-54.60000111.4Q31 S32 L38 T39Q31-S35 WeakPolarHBondContact O-CB 3.39Å; Q31-S35 PolarHBondContact O-N 3.26Å; Q31-S35 PolarHBondContact O-OG 2.88Å; S32-S35 PolarHBondContact O-N 3.3Å; S35-L38 PolarHBondContact O-N 2.72Å; S35-T39 WeakPolarHBondContact O-CB 3.47Å; S35-T39 PolarHBondContact O-N 3.43Å; S35-T39 PolarHBondContact O-OG1 2.93Å; S35-T39 VanDerWaalsContact O-OG1 3.06Å
36A97.7Very high97Very high61 Ų6156 Ų5650%0.50437%0.368SS..Hα-helixtrans-64.1-43.5178.300000112.4S32 A33 L38 T39 D40S32-A36 VanDerWaalsContact O-CB 3.27Å; S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.4Å; A33-A36 PolarHBondContact O-N 2.87Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.13Å; A36-T39 PolarHBondContact O-N 2.96Å; A36-D40 VanDerWaalsContact O-CB 3.32Å; A36-D40 WeakPolarHBondContact O-CB 3.46Å; A36-D40 PolarHBondContact O-N 2.82Å
37A97.8Very high97.1Very high20 Ų2052.2 Ų52.217%0.16535%0.352CS..Hα-helixtrans-62.9-41.117700000112Q7 V10 A33 V34 L41Q7-A37 HydrophobicContact CG-CB 4.29Å; V10-A37 HydrophobicContact CB-CB 4.24Å; V10-A37 HydrophobicContact CG1-CB 4.12Å; V10-A37 HydrophobicContact CG2-CB 3.98Å; A33-A37 WeakPolarHBondContact O-CB 3.06Å; A33-A37 PolarHBondContact O-N 2.98Å; V34-A37 PolarHBondContact O-N 3.27Å; A37-L41 WeakPolarHBondContact O-CB 3.36Å; A37-L41 PolarHBondContact O-N 3.22Å
38L97.5Very high97.1Very high10 Ų1055.6 Ų55.65%0.05237%0.366CS..Hα-helixtrans-67.1-46.8176.5-179.459.4000111.9V10 F11 V14 T20 V34 S35 A36 D40 L41 E42 F50 L57V10-L38 HydrophobicContact CG1-CB 4.09Å; F11-L38 HydrophobicContact CB-CD1 4.48Å; V14-L38 HydrophobicContact CG1-CD2 4.18Å; V14-L38 HydrophobicContact CG2-CD2 4.45Å; T20-L38 HydrophobicContact CG2-CD2 4.46Å; V34-L38 WeakPolarHBondContact O-CB 3.07Å; V34-L38 PolarHBondContact O-N 2.91Å; S35-L38 PolarHBondContact O-N 2.72Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.13Å; L38-D40 VanDerWaalsContact C-N 3.32Å; L38-D40 PolarHBondContact O-N 2.88Å; L38-L41 WeakPolarHBondContact O-CB 3.49Å; L38-L41 PolarHBondContact O-N 2.69Å; L38-E42 HydrophobicContact CD1-CG 4.39Å; L38-E42 WeakPolarHBondContact O-CG 3.15Å; L38-E42 PolarHBondContact O-N 3.49Å; L38-F50 HydrophobicContact CD1-CD2 4.07Å; L38-F50 HydrophobicContact CD1-CE2 3.71Å; L38-F50 HydrophobicContact CD2-CD2 3.97Å; L38-F50 HydrophobicContact CD2-CE2 4.01Å; L38-L57 HydrophobicContact CD2-CD1 4.41Å
39T96.9Very high97.2Very high93 Ų9351.3 Ų51.357%0.57133%0.331SS*.Hα-helixtrans-62.5-39.7177.8-62.80000111.8S35 A36 E42 G43S35-T39 WeakPolarHBondContact O-CB 3.47Å; S35-T39 PolarHBondContact O-N 3.43Å; S35-T39 PolarHBondContact O-OG1 2.93Å; S35-T39 VanDerWaalsContact O-OG1 3.06Å; A36-T39 PolarHBondContact O-N 2.96Å; T39-E42 PolarHBondContact O-N 3.32Å; T39-G43 PolarHBondContact O-N 2.83Å
40D97.8Very high97.2Very high82 Ų8249 Ų4944%0.43932%0.318SS..Hα-helixtrans-66.2-41.3176-168.954.1000111.2Q7 A36 L38 G43 Q44Q7-D40 PolarHBondContact NE2-OD2 3.23Å; A36-D40 VanDerWaalsContact O-CB 3.32Å; A36-D40 WeakPolarHBondContact O-CB 3.46Å; A36-D40 PolarHBondContact O-N 2.82Å; L38-D40 VanDerWaalsContact C-N 3.32Å; L38-D40 PolarHBondContact O-N 2.88Å; D40-G43 PolarHBondContact O-N 3.19Å; D40-Q44 WeakPolarHBondContact O-CB 3.37Å; D40-Q44 WeakPolarHBondContact O-CG 3.38Å; D40-Q44 PolarHBondContact O-N 2.87Å; D40-Q44 PolarHBondContact OD2-NE2 3.06Å
41L98Very high97.1Very high0 Ų050.2 Ų50.20%032%0.32CS..Hα-helixtrans-59.4-49.2174.5179.562.9000112.1I3 Q7 L8 F11 A37 L38 G43 Q44 L45 L49 L66I3-L41 HydrophobicContact CD1-CD1 4.43Å; I3-L41 HydrophobicContact CG1-CD1 4.13Å; I3-L41 HydrophobicContact CG2-CD1 3.77Å; Q7-L41 HydrophobicContact CB-CB 4.16Å; Q7-L41 HydrophobicContact CB-CD1 4.29Å; Q7-L41 HydrophobicContact CB-CD2 4.42Å; Q7-L41 HydrophobicContact CG-CB 4.43Å; L8-L41 HydrophobicContact CD2-CD1 4.45Å; F11-L41 HydrophobicContact CB-CD2 3.6Å; F11-L41 HydrophobicContact CG-CD2 4.12Å; A37-L41 WeakPolarHBondContact O-CB 3.36Å; A37-L41 PolarHBondContact O-N 3.22Å; L38-L41 WeakPolarHBondContact O-CB 3.49Å; L38-L41 PolarHBondContact O-N 2.69Å; L41-G43 VanDerWaalsContact C-N 3.31Å; L41-G43 PolarHBondContact O-N 3.36Å; L41-Q44 PolarHBondContact O-N 2.85Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 3.45Å; L41-L49 HydrophobicContact CD2-CD1 3.84Å; L41-L49 HydrophobicContact CG-CD1 4.14Å; L41-L66 HydrophobicContact CD2-CD2 4.31Å
42E97.6Very high96.9Very high15 Ų1554.2 Ų54.27%0.0733%0.331CS..Hα-helixtrans-62.3-39.3176.9-71.5-177146.500111.8L38 T39 L45 G46 V47 Q48 L49L38-E42 HydrophobicContact CD1-CG 4.39Å; L38-E42 WeakPolarHBondContact O-CG 3.15Å; L38-E42 PolarHBondContact O-N 3.49Å; T39-E42 PolarHBondContact O-N 3.32Å; E42-L45 PolarHBondContact O-N 2.74Å; E42-G46 PolarHBondContact O-N 3.39Å; E42-V47 WeakPolarHBondContact CA-O 3.37Å; E42-V47 VanDerWaalsContact CB-O 3.31Å; E42-V47 WeakPolarHBondContact CB-O 3.4Å; E42-V47 PolarHBondContact O-N 3.34Å; E42-Q48 PolarHBondContact OE2-NE2 3.14Å; E42-Q48 PolarHBondContact OE2-OE1 2.94Å; E42-L49 HydrophobicContact CG-CB 4.33Å; E42-L49 HydrophobicContact CG-CD1 4.03Å; E42-L49 HydrophobicContact CG-CG 3.99Å; E42-L49 PolarHBondContact OE1-N 2.97Å
43G97.1Very high96.5Very high59 Ų5954.5 Ų54.561%0.60833%0.329SS*.Hα-helixtrans-63-42.9175.200000112.8T39 D40 L41 L45 G46T39-G43 PolarHBondContact O-N 2.83Å; D40-G43 PolarHBondContact O-N 3.19Å; L41-G43 VanDerWaalsContact C-N 3.31Å; L41-G43 PolarHBondContact O-N 3.36Å; G43-L45 VanDerWaalsContact C-N 3.34Å; G43-G46 PolarHBondContact O-N 2.94Å
44Q96.7Very high96Very high64 Ų6455.8 Ų55.830%0.29935%0.346SS..Hα-helixtrans-66.8-34.4176-70.3177.422.300112.7H2 I3 D40 L41H2-Q44 HydrophobicContact CB-CG 4.25Å; H2-Q44 PolarHBondContact O-NE2 2.86Å; H2-Q44 VanDerWaalsContact O-NE2 3.15Å; H2-Q44 PolarHBondContact O-OE1 2.91Å; H2-Q44 VanDerWaalsContact O-OE1 3.09Å; I3-Q44 VanDerWaalsContact CA-OE1 3.24Å; I3-Q44 VanDerWaalsContact CG1-OE1 3.32Å; D40-Q44 WeakPolarHBondContact O-CB 3.37Å; D40-Q44 WeakPolarHBondContact O-CG 3.38Å; D40-Q44 PolarHBondContact O-N 2.87Å; D40-Q44 PolarHBondContact OD2-NE2 3.06Å; L41-Q44 PolarHBondContact O-N 2.85Å
45L96.2Very high95.3Very high62 Ų6265.4 Ų65.433%0.32539%0.388SS..Hα-helixtrans-82.5-16.1177.3-67.4173.6000113.1I3 L41 E42 G43 V47 L49 L66I3-L45 HydrophobicContact CD1-CD2 3.71Å; I3-L45 HydrophobicContact CD1-CG 4.43Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 3.45Å; E42-L45 PolarHBondContact O-N 2.74Å; G43-L45 VanDerWaalsContact C-N 3.34Å; L45-V47 HydrophobicContact CB-CG2 4.01Å; L45-V47 PolarHBondContact O-N 3.26Å; L45-L49 HydrophobicContact CD1-CD1 4.04Å; L45-L49 HydrophobicContact CD1-CD2 4.12Å; L45-L49 HydrophobicContact CD1-CG 4.45Å; L45-L66 HydrophobicContact CD1-CD2 3.81Å
46G96Very high95Very high66 Ų6672.5 Ų72.568%0.6841%0.408SS*.THydrogen-bonded Turntrans69.814.3-17700000114.3E42 G43E42-G46 PolarHBondContact O-N 3.39Å; G43-G46 PolarHBondContact O-N 2.94Å
47V97.2Very high94.8Very high50 Ų5070.6 Ų70.630%0.30339%0.39SS..SBendtrans-141.2151.7-178.2-64.20000110.9E42 L45 H62E42-V47 WeakPolarHBondContact CA-O 3.37Å; E42-V47 VanDerWaalsContact CB-O 3.31Å; E42-V47 WeakPolarHBondContact CB-O 3.4Å; E42-V47 PolarHBondContact O-N 3.34Å; L45-V47 HydrophobicContact CB-CG2 4.01Å; L45-V47 PolarHBondContact O-N 3.26Å; V47-H62 HydrophobicContact CG2-CB 4.01Å
48Q97.5Very high94.6Very high111 Ų11173 Ų7352%0.51940%0.402SS..  trans-77.4142.2167.1-64.9-70.3-82.300109.5E42 N60 H62E42-Q48 PolarHBondContact OE2-NE2 3.14Å; E42-Q48 PolarHBondContact OE2-OE1 2.94Å; Q48-N60 PolarHBondContact O-ND2 2.83Å; Q48-N60 PolarHBondContact O-OD1 2.91Å; Q48-H62 PolarHBondContact O-CD2 3.29Å
49L97.9Very high94.6Very high2 Ų274 Ų741%0.0141%0.409CS..SBendtrans-103.2-17.3177.3-61.9169000112F11 L41 E42 L45 N60 H62 L66F11-L49 HydrophobicContact CD2-CB 4.26Å; F11-L49 HydrophobicContact CD2-CD1 3.71Å; F11-L49 HydrophobicContact CE2-CB 3.97Å; F11-L49 HydrophobicContact CE2-CD1 3.96Å; F11-L49 HydrophobicContact CE2-CG 4.42Å; F11-L49 HydrophobicContact CG-CD1 4.31Å; L41-L49 HydrophobicContact CD2-CD1 3.84Å; L41-L49 HydrophobicContact CG-CD1 4.14Å; E42-L49 HydrophobicContact CG-CB 4.33Å; E42-L49 HydrophobicContact CG-CD1 4.03Å; E42-L49 HydrophobicContact CG-CG 3.99Å; E42-L49 PolarHBondContact OE1-N 2.97Å; L45-L49 HydrophobicContact CD1-CD1 4.04Å; L45-L49 HydrophobicContact CD1-CD2 4.12Å; L45-L49 HydrophobicContact CD1-CG 4.45Å; L49-N60 VanDerWaalsContact C-CG 3.49Å; L49-N60 WeakPolarHBondContact CA-OD1 3.47Å; L49-N60 PolarHBondContact O-N 3.21Å; L49-N60 PolarHBondContact O-OD1 2.79Å; L49-N60 VanDerWaalsContact O-OD1 3.11Å; L49-H62 HydrophobicContact CD2-CB 4.03Å; L49-L66 HydrophobicContact CD1-CD2 3.6Å; L49-L66 HydrophobicContact CD2-CB 4.25Å; L49-L66 HydrophobicContact CD2-CD2 3.79Å; L49-L66 HydrophobicContact CG-CD2 4.36Å
50F97.6Very high94.5Very high10 Ų1070.2 Ų70.24%0.04439%0.385CS..EExtended strand (participates in β ladder)trans-129.6141.4178.9-61-84.2000111.8F11 V14 L15 L38 L57 V58 V59F11-F50 AromaticContact CD2-CE2 3.58Å; F11-F50 HydrophobicContact CD2-CE2 3.58Å; F11-F50 AromaticContact CD2-CZ 3.67Å; F11-F50 HydrophobicContact CD2-CZ 3.67Å; F11-F50 AromaticContact CE2-CE2 3.92Å; F11-F50 HydrophobicContact CE2-CE2 3.92Å; F11-F50 AromaticContact CE2-CZ 3.74Å; F11-F50 HydrophobicContact CE2-CZ 3.74Å; V14-F50 HydrophobicContact CB-CE2 4.3Å; V14-F50 HydrophobicContact CB-CZ 4.03Å; V14-F50 HydrophobicContact CG1-CD2 4.39Å; V14-F50 HydrophobicContact CG1-CE1 4.06Å; V14-F50 HydrophobicContact CG1-CE2 3.85Å; V14-F50 HydrophobicContact CG1-CZ 3.69Å; L15-F50 HydrophobicContact CB-CE1 3.95Å; L15-F50 HydrophobicContact CB-CZ 3.97Å; L38-F50 HydrophobicContact CD1-CD2 4.07Å; L38-F50 HydrophobicContact CD1-CE2 3.71Å; L38-F50 HydrophobicContact CD2-CD2 3.97Å; L38-F50 HydrophobicContact CD2-CE2 4.01Å; F50-L57 HydrophobicContact CB-CB 4.15Å; F50-L57 HydrophobicContact CB-CD2 4.17Å; F50-L57 HydrophobicContact CD1-CB 4.09Å; F50-L57 HydrophobicContact CG-CB 4.21Å; F50-V58 CarbonylContact C-O 3.34Å; F50-V58 VanDerWaalsContact CA-O 3.3Å; F50-V58 WeakPolarHBondContact CA-O 3.43Å; F50-V59 HydrophobicContact CD1-CB 4.19Å; F50-V59 HydrophobicContact CE1-CB 4.09Å; F50-V59 HydrophobicContact CE1-CG2 4.42Å
51D95.7Very high94.4Very high88 Ų8872.5 Ų72.547%0.47139%0.393SS..EExtended strand (participates in β ladder)trans-94.2145.2164.5-59.9-37.8000109.6V58 N60D51-V58 PolarHBondContact N-O 3.34Å; D51-V58 PolarHBondContact O-N 2.8Å; D51-N60 VanDerWaalsContact OD2-CB 3.27Å; D51-N60 WeakPolarHBondContact OD2-CB 3.36Å
52R91.6Very high94.4Very high178 Ų17876.7 Ų76.767%0.67241%0.412SS*.EExtended strand (participates in β ladder)trans-94.9111.9177.6-172.5173.6-72.9-89.21.3110.3G54R52-G54 WeakPolarHBondContact CG-O 2.97Å
53V89Confident94.4Very high94 Ų9476 Ų7657%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-109.195.5174-174.40000108.7K55 R56 V58V53-K55 PolarHBondContact O-N 2.81Å; V53-K55 VanDerWaalsContact O-N 3.17Å; V53-R56 PolarHBondContact N-O 3.49Å; V53-R56 PolarHBondContact O-N 3.25Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG2-CB 4.34Å; V53-V58 HydrophobicContact CG2-CG2 3.8Å
54G86.5Confident94.2Very high66 Ų6679.8 Ų79.868%0.6841%0.405SS*.THydrogen-bonded Turntrans60.9-115.9-171.400000111.3R52R52-G54 WeakPolarHBondContact CG-O 2.97Å
55K82.6Confident94.1Very high202 Ų20281.3 Ų81.388%0.87841%0.414SS*.THydrogen-bonded Turntrans-92.9-6177.5-66.7-174.2-179.7-179.40114.1V53V53-K55 PolarHBondContact O-N 2.81Å; V53-K55 VanDerWaalsContact O-N 3.17Å
56R89.8Confident94.2Very high189 Ų18979.7 Ų79.771%0.71341%0.406SS*.EExtended strand (participates in β ladder)trans-97.6144.3-176.6-68.4-176.4175.6176.5-1.8111.1V53V53-R56 PolarHBondContact N-O 3.49Å; V53-R56 PolarHBondContact O-N 3.25Å
57L93.5Very high94.2Very high22 Ų2277.5 Ų77.512%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-92.8123.9165.7-67.1176.1000107.8V14 G18 T20 L38 F50V14-L57 HydrophobicContact CG1-CB 4.38Å; V14-L57 HydrophobicContact CG1-CD1 3.62Å; G18-L57 PolarHBondContact O-N 2.98Å; G18-L57 VanDerWaalsContact O-N 3.11Å; T20-L57 HydrophobicContact CG2-CD1 3.84Å; L38-L57 HydrophobicContact CD2-CD1 4.41Å; F50-L57 HydrophobicContact CB-CB 4.15Å; F50-L57 HydrophobicContact CB-CD2 4.17Å; F50-L57 HydrophobicContact CD1-CB 4.09Å; F50-L57 HydrophobicContact CG-CB 4.21Å
58V94.9Very high94Very high69 Ų6975.5 Ų75.542%0.41837%0.366SS..EExtended strand (participates in β ladder)trans-114127.2178.4-178.70000107.3F50 D51 V53 N60F50-V58 CarbonylContact C-O 3.34Å; F50-V58 VanDerWaalsContact CA-O 3.3Å; F50-V58 WeakPolarHBondContact CA-O 3.43Å; D51-V58 PolarHBondContact N-O 3.34Å; D51-V58 PolarHBondContact O-N 2.8Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG2-CB 4.34Å; V53-V58 HydrophobicContact CG2-CG2 3.8Å; V58-N60 PolarHBondContact O-N 3.03Å
59V95.6Very high93.9Very high32 Ų3276.7 Ų76.719%0.19437%0.365CS..EExtended strand (participates in β ladder)trans-61.1130.9-179.866.70000110.5L15 F50 G63 R64L15-V59 HydrophobicContact CD1-CB 3.99Å; L15-V59 HydrophobicContact CD1-CG1 4.36Å; L15-V59 HydrophobicContact CD1-CG2 3.6Å; L15-V59 HydrophobicContact CG-CB 4.18Å; L15-V59 HydrophobicContact CG-CG1 4.47Å; L15-V59 HydrophobicContact CG-CG2 4.33Å; F50-V59 HydrophobicContact CD1-CB 4.19Å; F50-V59 HydrophobicContact CE1-CB 4.09Å; F50-V59 HydrophobicContact CE1-CG2 4.42Å; V59-G63 VanDerWaalsContact CG2-C 3.41Å; V59-R64 HydrophobicContact CG1-CG 4.06Å; V59-R64 HydrophobicContact CG2-CG 4.2Å; V59-R64 PolarHBondContact O-NH1 2.99Å
60N96.6Very high93.8Very high14 Ų1476.6 Ų76.68%0.07537%0.365CS..  trans-92.9-170.9176.274.915.2000111.1Q48 L49 D51 V58 H62 G63 R64Q48-N60 PolarHBondContact O-ND2 2.83Å; Q48-N60 PolarHBondContact O-OD1 2.91Å; L49-N60 VanDerWaalsContact C-CG 3.49Å; L49-N60 WeakPolarHBondContact CA-OD1 3.47Å; L49-N60 PolarHBondContact O-N 3.21Å; L49-N60 PolarHBondContact O-OD1 2.79Å; L49-N60 VanDerWaalsContact O-OD1 3.11Å; D51-N60 VanDerWaalsContact OD2-CB 3.27Å; D51-N60 WeakPolarHBondContact OD2-CB 3.36Å; V58-N60 PolarHBondContact O-N 3.03Å; N60-H62 PolarHBondContact O-N 3.06Å; N60-H62 WeakPolarHBondContact OD1-CB 3.27Å; N60-H62 PolarHBondContact OD1-N 3.43Å; N60-G63 PolarHBondContact O-N 3.19Å; N60-G63 PolarHBondContact OD1-N 2.87Å; N60-R64 WeakPolarHBondContact O-CG 3.45Å; N60-R64 PolarHBondContact O-N 2.89Å
61E95.8Very high93.6Very high129 Ų12976.8 Ų76.860%0.60337%0.366SS*.Hα-helixtrans-63.6-40.4-178.7-170.6176.5169.400113.1R64 L65E61-R64 PolarHBondContact O-N 3.2Å; E61-L65 HydrophobicContact CG-CD1 4.47Å; E61-L65 WeakPolarHBondContact O-CG 3.44Å; E61-L65 PolarHBondContact O-N 3.05Å
62H97.3Very high93.5Very high88 Ų8873.6 Ų73.641%0.40735%0.352SS..Hα-helixtrans-64.8-42.3176.8-58.3-51.2000111.6V47 Q48 L49 N60 L65 L66V47-H62 HydrophobicContact CG2-CB 4.01Å; Q48-H62 PolarHBondContact O-CD2 3.29Å; L49-H62 HydrophobicContact CD2-CB 4.03Å; N60-H62 PolarHBondContact O-N 3.06Å; N60-H62 WeakPolarHBondContact OD1-CB 3.27Å; N60-H62 PolarHBondContact OD1-N 3.43Å; H62-L65 PolarHBondContact O-N 2.77Å; H62-L66 WeakPolarHBondContact O-CB 3.15Å; H62-L66 PolarHBondContact O-N 3.22Å
63G96.8Very high93.6Very high0 Ų069.1 Ų69.10%034%0.341CS..Hα-helixtrans-60.9-43.3172.900000112.3F11 V59 N60 L65 L66 Y67F11-G63 WeakPolarHBondContact CZ-O 3.26Å; V59-G63 VanDerWaalsContact CG2-C 3.41Å; N60-G63 PolarHBondContact O-N 3.19Å; N60-G63 PolarHBondContact OD1-N 2.87Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 3.3Å; G63-L66 PolarHBondContact O-N 2.91Å; G63-Y67 WeakPolarHBondContact O-CB 3.3Å; G63-Y67 PolarHBondContact O-N 3.26Å
64R94.4Very high93.8Very high140 Ų14065.7 Ų65.753%0.52832%0.319SS..Hα-helixtrans-61.1-37.8175.5-76-172.5-69.7-86.13.7112.5V59 N60 E61 P68V59-R64 HydrophobicContact CG1-CG 4.06Å; V59-R64 HydrophobicContact CG2-CG 4.2Å; V59-R64 PolarHBondContact O-NH1 2.99Å; N60-R64 WeakPolarHBondContact O-CG 3.45Å; N60-R64 PolarHBondContact O-N 2.89Å; E61-R64 PolarHBondContact O-N 3.2Å; R64-P68 WeakPolarHBondContact O-CD 3.22Å
65L94.8Very high94Very high95 Ų9564.3 Ų64.350%0.49730%0.295SS..Hα-helixtrans-70.5-34.9175.9-70.5170.7000112.9E61 H62 G63 R69E61-L65 HydrophobicContact CG-CD1 4.47Å; E61-L65 WeakPolarHBondContact O-CG 3.44Å; E61-L65 PolarHBondContact O-N 3.05Å; H62-L65 PolarHBondContact O-N 2.77Å; G63-L65 VanDerWaalsContact C-N 3.3Å; G63-L65 PolarHBondContact O-N 3.3Å; L65-R69 PolarHBondContact O-NH1 3.01Å
66L96.7Very high94.3Very high29 Ų2958.7 Ų58.715%0.15227%0.272CS..Hα-helixtrans-76.9-40.2-179.2-179.561.5000112.3F11 L41 L45 L49 H62 G63 R69 A70F11-L66 HydrophobicContact CD1-CD2 3.84Å; F11-L66 HydrophobicContact CD1-CG 4.15Å; F11-L66 HydrophobicContact CD2-CD2 4.5Å; F11-L66 HydrophobicContact CE1-CB 3.99Å; F11-L66 HydrophobicContact CE1-CD2 3.66Å; F11-L66 HydrophobicContact CE1-CG 3.61Å; F11-L66 HydrophobicContact CE2-CD2 4.4Å; F11-L66 HydrophobicContact CG-CD2 4.26Å; F11-L66 HydrophobicContact CZ-CB 4.02Å; F11-L66 HydrophobicContact CZ-CD2 3.99Å; F11-L66 HydrophobicContact CZ-CG 4.09Å; L41-L66 HydrophobicContact CD2-CD2 4.31Å; L45-L66 HydrophobicContact CD1-CD2 3.81Å; L49-L66 HydrophobicContact CD1-CD2 3.6Å; L49-L66 HydrophobicContact CD2-CB 4.25Å; L49-L66 HydrophobicContact CD2-CD2 3.79Å; L49-L66 HydrophobicContact CG-CD2 4.36Å; H62-L66 WeakPolarHBondContact O-CB 3.15Å; H62-L66 PolarHBondContact O-N 3.22Å; G63-L66 PolarHBondContact O-N 2.91Å; L66-R69 PolarHBondContact O-N 3.27Å; L66-A70 HydrophobicContact CG-CB 4.32Å; L66-A70 PolarHBondContact O-N 2.85Å
67Y96.7Very high94.3Very high19 Ų1950.6 Ų50.68%0.07525%0.246CC..Hα-helixtrans-51.3-50.3-170-179.4-115.2000115.1F11 A12 L15 K16 G63 R69 A70 L71 F137F11-Y67 HydrophobicContact CE1-CD2 4.32Å; A12-Y67 HydrophobicContact CB-CD2 4.43Å; A12-Y67 HydrophobicContact CB-CE2 4.07Å; L15-Y67 HydrophobicContact CD1-CD1 4.27Å; L15-Y67 HydrophobicContact CD1-CD2 3.65Å; L15-Y67 HydrophobicContact CD1-CE2 4.28Å; L15-Y67 HydrophobicContact CD1-CG 3.63Å; L15-Y67 HydrophobicContact CD2-CD1 4.45Å; L15-Y67 HydrophobicContact CD2-CD2 4.2Å; L15-Y67 HydrophobicContact CD2-CE1 4.27Å; L15-Y67 HydrophobicContact CD2-CE2 4.01Å; L15-Y67 HydrophobicContact CD2-CG 4.41Å; L15-Y67 HydrophobicContact CG-CD2 4.4Å; K16-Y67 VanDerWaalsContact CE-OH 3.27Å; K16-Y67 WeakPolarHBondContact CE-OH 3.33Å; G63-Y67 WeakPolarHBondContact O-CB 3.3Å; G63-Y67 PolarHBondContact O-N 3.26Å; Y67-R69 VanDerWaalsContact C-N 3.3Å; Y67-R69 PolarHBondContact O-N 2.96Å; Y67-A70 PolarHBondContact O-N 3.01Å; Y67-L71 WeakPolarHBondContact O-CB 3.05Å; Y67-L71 PolarHBondContact O-N 3.13Å; Y67-F137 HydrophobicContact CD1-CD2 4.1Å; Y67-F137 HydrophobicContact CE1-CB 4.15Å; Y67-F137 AromaticContact CE1-CD2 3.82Å; Y67-F137 HydrophobicContact CE1-CD2 3.82Å; Y67-F137 HydrophobicContact CE1-CG 4.29Å
68P93.5Very high93.9Very high9 Ų952.6 Ų52.66%0.05826%0.259CS..Hα-helixtrans-57.8-40.5177.3-28.437.7000113.8R64 A72 F137 Q272R64-P68 WeakPolarHBondContact O-CD 3.22Å; P68-A72 WeakPolarHBondContact O-CB 3.38Å; P68-A72 PolarHBondContact O-N 2.9Å; P68-F137 HydrophobicContact CB-CE2 3.94Å; P68-F137 HydrophobicContact CB-CZ 3.58Å; P68-F137 HydrophobicContact CG-CE2 3.77Å; P68-F137 HydrophobicContact CG-CZ 3.93Å; P68-Q272 HydrophobicContact CB-CB 3.85Å; P68-Q272 HydrophobicContact CB-CG 4.39Å
69R94.7Very high93.3Very high136 Ų13651.3 Ų51.351%0.51325%0.248SC..Hα-helixtrans-73.7-41.9-178.8-65.5175174.882.10.1111.4L65 L66 Y67 L71 A72 L73L65-R69 PolarHBondContact O-NH1 3.01Å; L66-R69 PolarHBondContact O-N 3.27Å; Y67-R69 VanDerWaalsContact C-N 3.3Å; Y67-R69 PolarHBondContact O-N 2.96Å; R69-L71 VanDerWaalsContact C-N 3.33Å; R69-A72 PolarHBondContact O-N 3.11Å; R69-L73 WeakPolarHBondContact O-CG 3.28Å; R69-L73 PolarHBondContact O-N 3.26Å
70A96.2Very high92.7Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-59.1-48.7174.800000110.1L8 F11 L66 Y67 L73 L74L8-A70 HydrophobicContact CB-CB 4.28Å; L8-A70 HydrophobicContact CD2-CB 3.93Å; L8-A70 HydrophobicContact CG-CB 4.49Å; F11-A70 HydrophobicContact CD1-CB 3.95Å; F11-A70 HydrophobicContact CE1-CB 3.97Å; L66-A70 HydrophobicContact CG-CB 4.32Å; L66-A70 PolarHBondContact O-N 2.85Å; Y67-A70 PolarHBondContact O-N 3.01Å; A70-L73 PolarHBondContact O-N 2.86Å; A70-L74 VanDerWaalsContact O-CG 3.27Å; A70-L74 WeakPolarHBondContact O-CG 3.33Å; A70-L74 PolarHBondContact O-N 3.23Å
71L93.8Very high92Very high14 Ų1459.4 Ų59.47%0.07329%0.286CS..Hα-helixtrans-64-44.8-180-17364.7000112.2Y67 R69 L73 L74 E75 F137Y67-L71 WeakPolarHBondContact O-CB 3.05Å; Y67-L71 PolarHBondContact O-N 3.13Å; R69-L71 VanDerWaalsContact C-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.31Å; L71-L73 PolarHBondContact O-N 3.2Å; L71-L74 PolarHBondContact O-N 2.74Å; L71-E75 HydrophobicContact CG-CG 4.48Å; L71-E75 WeakPolarHBondContact O-CG 3.31Å; L71-E75 PolarHBondContact O-N 3.04Å; L71-F137 HydrophobicContact CD2-CB 3.3Å; L71-F137 HydrophobicContact CD2-CD1 3.54Å; L71-F137 HydrophobicContact CD2-CD2 4.49Å; L71-F137 HydrophobicContact CD2-CE1 4.43Å; L71-F137 HydrophobicContact CD2-CG 3.55Å
72A92.4Very high91.1Very high20 Ų2055.1 Ų55.117%0.16527%0.265CS..Hα-helixtrans-57.8-42.4175.600000112.3P68 R69 E75 Q76 H274P68-A72 WeakPolarHBondContact O-CB 3.38Å; P68-A72 PolarHBondContact O-N 2.9Å; R69-A72 PolarHBondContact O-N 3.11Å; A72-E75 PolarHBondContact O-N 3.22Å; A72-Q76 VanDerWaalsContact O-CG 3.29Å; A72-Q76 WeakPolarHBondContact O-CG 3.44Å; A72-Q76 PolarHBondContact O-N 2.83Å; A72-H274 HydrophobicContact CB-CB 4.28Å
73L94.2Very high89.8Confident85 Ų8556.9 Ų56.945%0.44528%0.277SS..Hα-helixtrans-65.5-39.8176.4-74.4172.7000112.6L8 R69 A70 L71 Q76 A77L8-L73 HydrophobicContact CD1-CB 4.27Å; L8-L73 HydrophobicContact CD1-CD1 3.87Å; R69-L73 WeakPolarHBondContact O-CG 3.28Å; R69-L73 PolarHBondContact O-N 3.26Å; A70-L73 PolarHBondContact O-N 2.86Å; L71-L73 VanDerWaalsContact C-N 3.31Å; L71-L73 PolarHBondContact O-N 3.2Å; L73-Q76 PolarHBondContact O-N 2.88Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 2.81Å
74L93.8Very high88.8Confident22 Ų2265.3 Ų65.312%0.11531%0.314CS..Hα-helixtrans-65.6-41.9176.6-67.9174.9000111.4L5 L8 E9 A12 A70 L71 Q76 A77 V78L5-L74 HydrophobicContact CB-CD2 4.44Å; L5-L74 HydrophobicContact CD2-CD2 4.36Å; L8-L74 HydrophobicContact CB-CD1 4.38Å; L8-L74 HydrophobicContact CB-CD2 4.1Å; L8-L74 HydrophobicContact CB-CG 4.26Å; E9-L74 HydrophobicContact CB-CD2 4.47Å; E9-L74 HydrophobicContact CG-CD1 4.14Å; E9-L74 HydrophobicContact CG-CD2 3.44Å; E9-L74 VanDerWaalsContact CG-CD2 3.44Å; E9-L74 HydrophobicContact CG-CG 4.41Å; A12-L74 HydrophobicContact CB-CD1 4.16Å; A70-L74 VanDerWaalsContact O-CG 3.27Å; A70-L74 WeakPolarHBondContact O-CG 3.33Å; A70-L74 PolarHBondContact O-N 3.23Å; L71-L74 PolarHBondContact O-N 2.74Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; L74-A77 PolarHBondContact O-N 2.73Å; L74-V78 WeakPolarHBondContact O-CG2 3.35Å; L74-V78 PolarHBondContact O-N 2.93Å
75E89.7Confident87.4Confident37 Ų3765.8 Ų65.817%0.17332%0.316CS..Hα-helixtrans-62.4-42.4175.7-71.7173.6178.800111.5L71 A72 V78 E79 K273L71-E75 HydrophobicContact CG-CG 4.48Å; L71-E75 WeakPolarHBondContact O-CG 3.31Å; L71-E75 PolarHBondContact O-N 3.04Å; A72-E75 PolarHBondContact O-N 3.22Å; E75-V78 PolarHBondContact O-N 3.44Å; E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.08Å; E75-K273 IonicContact OE1-NZ 3.2Å; E75-K273 PolarHBondContact OE1-NZ 2.98Å; E75-K273 IonicContact OE2-NZ 2.85Å; E75-K273 PolarHBondContact OE2-NZ 2.81Å
76Q89Confident85.8Confident83 Ų8370.5 Ų70.539%0.38834%0.336SS..Hα-helixtrans-64.3-38.6173.8-72.1179-50.900112.7A72 L73 L74 E79 I80A72-Q76 VanDerWaalsContact O-CG 3.29Å; A72-Q76 WeakPolarHBondContact O-CG 3.44Å; A72-Q76 PolarHBondContact O-N 2.83Å; L73-Q76 PolarHBondContact O-N 2.88Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-E79 WeakPolarHBondContact O-CB 3.45Å; Q76-E79 PolarHBondContact O-N 2.7Å; Q76-I80 WeakPolarHBondContact O-CG1 3.45Å; Q76-I80 PolarHBondContact O-N 3.09Å
77A90.1Very high84Confident20 Ų2074.2 Ų74.217%0.16536%0.356CS..Hα-helixtrans-64.7-43.517600000111.5L5 L73 L74 E79 I80 E81L5-A77 HydrophobicContact CD1-CB 3.62Å; L5-A77 HydrophobicContact CD2-CB 4.13Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 2.81Å; L74-A77 PolarHBondContact O-N 2.73Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 2.95Å; A77-I80 WeakPolarHBondContact O-CB 3.39Å; A77-I80 PolarHBondContact O-N 3.22Å; A77-E81 PolarHBondContact O-N 3.05Å; A77-E81 VanDerWaalsContact O-N 3.16Å
78V85.6Confident82.4Confident64 Ų6475.5 Ų75.539%0.38836%0.364SS..Hα-helixtrans-60.6-43.5173.7168.90000110.5L74 E75 I80 E81 Q82L74-V78 WeakPolarHBondContact O-CG2 3.35Å; L74-V78 PolarHBondContact O-N 2.93Å; E75-V78 PolarHBondContact O-N 3.44Å; V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3.1Å; V78-E81 PolarHBondContact O-N 2.76Å; V78-E81 VanDerWaalsContact O-N 3.12Å; V78-Q82 HydrophobicContact CG1-CG 4.11Å; V78-Q82 WeakPolarHBondContact O-CB 3.49Å; V78-Q82 WeakPolarHBondContact O-CG 3.16Å; V78-Q82 PolarHBondContact O-N 2.89Å
79E80.8Confident81.3Confident42 Ų4276.5 Ų76.520%0.19638%0.376CS..Hα-helixtrans-57.9-39.2174.6-81178.4-167.700112.8E75 Q76 A77 E81 Q82 L83 H274 S276E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.08Å; Q76-E79 WeakPolarHBondContact O-CB 3.45Å; Q76-E79 PolarHBondContact O-N 2.7Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 2.95Å; E79-E81 VanDerWaalsContact C-N 3.35Å; E79-E81 PolarHBondContact O-N 3.09Å; E79-Q82 CarbonylContact O-C 3.52Å; E79-Q82 PolarHBondContact O-N 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.43Å; E79-L83 PolarHBondContact O-N 3.26Å; E79-H274 IonicContact OE1-CD2 3.24Å; E79-H274 PolarHBondContact OE1-CD2 2.96Å; E79-H274 IonicContact OE1-NE2 3.67Å; E79-H274 PolarHBondContact OE1-NE2 3.25Å; E79-H274 IonicContact OE2-CD2 2.73Å; E79-H274 IonicContact OE2-CE1 3.38Å; E79-H274 IonicContact OE2-NE2 2.93Å; E79-H274 PolarHBondContact OE2-NE2 3.06Å; E79-S276 WeakPolarHBondContact OE1-CA 3.43Å; E79-S276 WeakPolarHBondContact OE1-CB 3.47Å
80I84.3Confident80.7Confident105 Ų10571.2 Ų71.254%0.53836%0.361SS..Hα-helixtrans-62.5-42.8176.2-68164.6000110.9Q76 A77 V78 Q82 L83 F84Q76-I80 WeakPolarHBondContact O-CG1 3.45Å; Q76-I80 PolarHBondContact O-N 3.09Å; A77-I80 WeakPolarHBondContact O-CB 3.39Å; A77-I80 PolarHBondContact O-N 3.22Å; V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3.1Å; I80-Q82 VanDerWaalsContact C-N 3.29Å; I80-Q82 PolarHBondContact O-N 3.38Å; I80-L83 PolarHBondContact O-N 3.34Å; I80-F84 WeakPolarHBondContact O-CD2 3.45Å
81E82.4Confident80.5Confident111 Ų11171.3 Ų71.352%0.51936%0.362SS..Hα-helixtrans-64.8-37175.4-64.7-173.5171.100111.7A77 V78 E79 F84A77-E81 PolarHBondContact O-N 3.05Å; A77-E81 VanDerWaalsContact O-N 3.16Å; V78-E81 PolarHBondContact O-N 2.76Å; V78-E81 VanDerWaalsContact O-N 3.12Å; E79-E81 VanDerWaalsContact C-N 3.35Å; E79-E81 PolarHBondContact O-N 3.09Å; E81-F84 PolarHBondContact O-N 3.09Å
82Q76.4Confident80.5Confident38 Ų3875.8 Ų75.818%0.17838%0.378CS..Hα-helixtrans-76.3-19.3179-68.1-178.1-5.100113.4V78 E79 I80 F84 R85 D87 G89V78-Q82 HydrophobicContact CG1-CG 4.11Å; V78-Q82 WeakPolarHBondContact O-CB 3.49Å; V78-Q82 WeakPolarHBondContact O-CG 3.16Å; V78-Q82 PolarHBondContact O-N 2.89Å; E79-Q82 CarbonylContact O-C 3.52Å; E79-Q82 PolarHBondContact O-N 3.25Å; I80-Q82 VanDerWaalsContact C-N 3.29Å; I80-Q82 PolarHBondContact O-N 3.38Å; Q82-F84 PolarHBondContact O-N 2.93Å; Q82-R85 CarbonylContact C-O 3.6Å; Q82-R85 CarbonylContact O-C 3.57Å; Q82-R85 PolarHBondContact O-N 2.81Å; Q82-R85 VanDerWaalsContact O-N 3.17Å; Q82-D87 VanDerWaalsContact CB-O 3.25Å; Q82-D87 WeakPolarHBondContact CB-O 3.29Å; Q82-D87 WeakPolarHBondContact CG-O 3.32Å; Q82-D87 PolarHBondContact OE1-O 3.42Å; Q82-G89 VanDerWaalsContact NE2-CA 3.3Å
83L70.2Confident80.8Confident126 Ų12674.9 Ų74.966%0.6637%0.37SS*.THydrogen-bonded Turntrans-57.1-24.1169.7-76172.9000112.3E79 I80E79-L83 WeakPolarHBondContact O-CG 3.43Å; E79-L83 PolarHBondContact O-N 3.26Å; I80-L83 PolarHBondContact O-N 3.34Å
84F75Confident81Confident177 Ų17772.8 Ų72.878%0.77636%0.356SS*.THydrogen-bonded Turntrans-110.8-0.4-178.5-55.6-80.4000113.6I80 E81 Q82I80-F84 WeakPolarHBondContact O-CD2 3.45Å; E81-F84 PolarHBondContact O-N 3.09Å; Q82-F84 PolarHBondContact O-N 2.93Å
85R65.8Low81.2Confident150 Ų15071.7 Ų71.757%0.56635%0.351SS*.SBendtrans-123.4124.7174.9-60.8-177.9-175.4171.57.2106.8Q82 D87Q82-R85 CarbonylContact C-O 3.6Å; Q82-R85 CarbonylContact O-C 3.57Å; Q82-R85 PolarHBondContact O-N 2.81Å; Q82-R85 VanDerWaalsContact O-N 3.17Å; R85-D87 HydrophobicContact CB-CB 4.29Å; R85-D87 PolarHBondContact O-N 3.49Å
86E61.6Low81.6Confident193 Ų19370 Ų7090%0.90234%0.343SS*.SBendtrans-58.3-4.7177.9-66-178.9165.800114.1N88E86-N88 PolarHBondContact O-N 3.5Å
87D57.4Low81.9Confident107 Ų10766.7 Ų66.757%0.57233%0.329SS*.  trans-67.599.3166.5-68-28.9000111.8Q82 R85Q82-D87 VanDerWaalsContact CB-O 3.25Å; Q82-D87 WeakPolarHBondContact CB-O 3.29Å; Q82-D87 WeakPolarHBondContact CG-O 3.32Å; Q82-D87 PolarHBondContact OE1-O 3.42Å; R85-D87 HydrophobicContact CB-CB 4.29Å; R85-D87 PolarHBondContact O-N 3.49Å
88N64.5Low82.1Confident46 Ų4665.8 Ų65.825%0.24632%0.322CS..PPolyproline II helixtrans-82.9135.8157.5-58.4-76.4000108.7E86 L118 A278 R281E86-N88 PolarHBondContact O-N 3.5Å; N88-L118 HydrophobicContact CB-CD1 4.22Å; N88-L118 HydrophobicContact CB-CD2 3.62Å; N88-A278 HydrophobicContact CB-CB 3.95Å; N88-R281 PolarHBondContact ND2-NH2 3.03Å
89G69.1Low82.7Confident31 Ų3162.8 Ų62.832%0.3230%0.303SS..PPolyproline II helixtrans-55.4154.9-178.400000113Q82 I91Q82-G89 VanDerWaalsContact NE2-CA 3.3Å; G89-I91 PolarHBondContact O-N 3.5Å
90A82.3Confident83.5Confident24 Ų2460.9 Ų60.920%0.19830%0.295CS..PPolyproline II helixtrans-59.2132.5179.700000111.5P119A90-P119 VanDerWaalsContact CA-O 3.31Å; A90-P119 WeakPolarHBondContact CA-O 3.37Å; A90-P119 HydrophobicContact CB-CB 3.73Å; A90-P119 HydrophobicContact CB-CG 3.72Å
91I91.3Very high84Confident3 Ų359.8 Ų59.82%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-85.5118.8170-54.6176.1000107.7G89 I93 Y111 P119 I120 E121 A278 L279 F282G89-I91 PolarHBondContact O-N 3.5Å; I91-I93 HydrophobicContact CG2-CD1 4.25Å; I91-I93 HydrophobicContact CG2-CG1 3.86Å; I91-Y111 WeakPolarHBondContact CD1-OH 3.39Å; I91-P119 PolarHBondContact N-O 3.49Å; I91-I120 HydrophobicContact CB-CG1 4.46Å; I91-I120 WeakPolarHBondContact O-CA 3.22Å; I91-E121 PolarHBondContact O-N 3.39Å; I91-A278 HydrophobicContact CD1-CB 4.16Å; I91-A278 VanDerWaalsContact CD1-O 3.31Å; I91-A278 WeakPolarHBondContact CD1-O 3.46Å; I91-A278 HydrophobicContact CG1-CB 4.28Å; I91-L279 HydrophobicContact CG2-CD1 4.09Å; I91-F282 HydrophobicContact CD1-CB 3.56Å; I91-F282 HydrophobicContact CD1-CG 4.15Å
92R94.8Very high84.6Confident107 Ų10758 Ų5840%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-96.1117.1176-57.8-174.8-173.4931.4109.4E121 V139 D140 I141R92-E121 HydrophobicContact CG-CB 4.44Å; R92-E121 IonicContact NE-OE2 3.9Å; R92-V139 HydrophobicContact CB-CB 4.27Å; R92-V139 HydrophobicContact CB-CG1 4.25Å; R92-D140 PolarHBondContact N-OD2 3.38Å; R92-D140 PolarHBondContact O-N 2.68Å; R92-I141 PolarHBondContact O-N 3.03Å
93I98.1Very high85.6Confident1 Ų156.3 Ų56.31%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-117133.3-178.5-55.1166.9000108.2I91 L104 I120 E121 L122 S123 I141 F143 F282I91-I93 HydrophobicContact CG2-CD1 4.25Å; I91-I93 HydrophobicContact CG2-CG1 3.86Å; I93-L104 HydrophobicContact CG2-CD1 3.94Å; I93-I120 HydrophobicContact CD1-CG2 3.77Å; I93-E121 PolarHBondContact N-O 3.41Å; I93-L122 HydrophobicContact CB-CD1 4.1Å; I93-L122 HydrophobicContact CG2-CD1 3.83Å; I93-L122 WeakPolarHBondContact O-CA 3.15Å; I93-S123 PolarHBondContact O-N 3.32Å; I93-I141 WeakPolarHBondContact CA-O 3.4Å; I93-I141 HydrophobicContact CB-CG2 4.41Å; I93-I141 HydrophobicContact CG1-CG2 3.88Å; I93-I141 HydrophobicContact CG2-CG2 4.3Å; I93-F143 HydrophobicContact CG2-CD2 3.72Å; I93-F143 HydrophobicContact CG2-CE2 3.7Å; I93-F282 HydrophobicContact CD1-CD1 4.11Å; I93-F282 HydrophobicContact CD1-CE1 3.37Å; I93-F282 HydrophobicContact CD1-CE2 3.86Å; I93-F282 HydrophobicContact CD1-CZ 3.24Å; I93-F282 HydrophobicContact CG1-CE1 4.2Å; I93-F282 HydrophobicContact CG1-CZ 4.48Å
94Y98.5Very high86.8Confident41 Ų4150.3 Ų50.316%0.16124%0.24CC..EExtended strand (participates in β ladder)trans-116.4125.2163.9-148.1147.7000108.9S123 V124 V130 A133 V139 I141 G142 F143Y94-S123 WeakPolarHBondContact CA-O 2.98Å; Y94-S123 VanDerWaalsContact CD2-O 3.24Å; Y94-S123 WeakPolarHBondContact CD2-O 3.4Å; Y94-V124 VanDerWaalsContact CE2-C 3.43Å; Y94-V130 HydrophobicContact CD2-CB 4.48Å; Y94-V130 HydrophobicContact CD2-CG2 3.5Å; Y94-V130 VanDerWaalsContact CD2-CG2 3.5Å; Y94-V130 HydrophobicContact CE2-CG2 4.01Å; Y94-V130 HydrophobicContact CG-CB 4.46Å; Y94-V130 HydrophobicContact CG-CG2 3.92Å; Y94-V130 VanDerWaalsContact O-CG1 3.32Å; Y94-V130 WeakPolarHBondContact O-CG1 3.46Å; Y94-A133 HydrophobicContact CD1-CB 3.48Å; Y94-A133 VanDerWaalsContact CD1-CB 3.48Å; Y94-A133 HydrophobicContact CE1-CB 4.05Å; Y94-A133 HydrophobicContact CG-CB 4.46Å; Y94-V139 HydrophobicContact CD1-CG1 4.3Å; Y94-I141 PolarHBondContact N-O 2.74Å; Y94-I141 VanDerWaalsContact N-O 3.11Å; Y94-G142 CarbonylContact O-C 3.59Å; Y94-G142 WeakPolarHBondContact O-CA 3.46Å; Y94-F143 PolarHBondContact O-N 3.46Å
95A98.4Very high87.8Confident0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-119.5152.7174.600000112.8I99 L104 L122 S123 V124 G125 V130 F143A95-I99 HydrophobicContact CB-CB 4.15Å; A95-I99 HydrophobicContact CB-CG2 3.96Å; A95-L104 HydrophobicContact CB-CD1 3.43Å; A95-L104 VanDerWaalsContact CB-CD1 3.43Å; A95-L122 HydrophobicContact CB-CD1 4.17Å; A95-S123 PolarHBondContact N-O 3.48Å; A95-V124 WeakPolarHBondContact O-CA 3.18Å; A95-G125 PolarHBondContact O-N 2.87Å; A95-G125 VanDerWaalsContact O-N 3.1Å; A95-V130 VanDerWaalsContact C-CG2 3.47Å; A95-F143 CarbonylContact C-O 3.56Å; A95-F143 WeakPolarHBondContact CA-O 3.18Å; A95-F143 HydrophobicContact CB-CB 4.09Å
96S97.4Very high89.2Confident1 Ų139.8 Ų39.81%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-64.3161.2167.569.20000110.8T98 I99 G100 G125 F143 E145S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 3.46Å; S96-I99 PolarHBondContact O-N 3.32Å; S96-I99 VanDerWaalsContact O-N 3.09Å; S96-I99 WeakPolarHBondContact OG-CD1 3.25Å; S96-G100 PolarHBondContact O-N 2.99Å; S96-G125 CarbonylContact C-O 3.55Å; S96-G125 WeakPolarHBondContact CA-O 3.33Å; S96-F143 PolarHBondContact N-O 3.43Å; S96-E145 WeakPolarHBondContact CB-OE1 3.2Å; S96-E145 WeakPolarHBondContact OG-CG 3.43Å; S96-E145 PolarHBondContact OG-OE1 2.83Å
97S94.9Very high90.8Very high14 Ų1430.6 Ų30.610%0.09817%0.17CC..Hα-helixtrans-56.4-41.1-171.4-37.60000113.8N101 G125 R191S97-N101 VanDerWaalsContact O-CB 3.24Å; S97-N101 WeakPolarHBondContact O-CB 3.28Å; S97-N101 VanDerWaalsContact O-CG 3.29Å; S97-N101 PolarHBondContact O-N 2.83Å; S97-N101 PolarHBondContact O-ND2 3.18Å; S97-G125 PolarHBondContact N-O 3.21Å; S97-G125 PolarHBondContact OG-O 3.32Å; S97-R191 PolarHBondContact OG-NH2 3.5Å
98T95.7Very high92.6Very high1 Ų126.3 Ų26.31%0.00615%0.147CC..Hα-helixtrans-66.5-45.4178.4-51.40000110.7S96 Y102 E145 V241 R263S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 3.46Å; T98-Y102 WeakPolarHBondContact O-CB 3.29Å; T98-Y102 WeakPolarHBondContact O-CD2 3.36Å; T98-Y102 PolarHBondContact O-N 2.86Å; T98-E145 WeakPolarHBondContact CA-OE1 3.32Å; T98-E145 VanDerWaalsContact CB-CD 3.48Å; T98-E145 WeakPolarHBondContact CB-OE1 3.19Å; T98-E145 PolarHBondContact N-OE1 2.64Å; T98-E145 PolarHBondContact OG1-OE1 3.38Å; T98-E145 PolarHBondContact OG1-OE2 3.12Å; T98-E145 VanDerWaalsContact OG1-OE2 3.11Å; T98-V241 HydrophobicContact CG2-CG2 3.89Å; T98-R263 PolarHBondContact OG1-NH2 3.48Å
99I97.4Very high94.1Very high0 Ų027 Ų270%016%0.159CC..Hα-helixtrans-71.9-47.7-174.3-63.6173.6000110.8A95 S96 N101 I103 L104 F143 I144 E145 W158 L265A95-I99 HydrophobicContact CB-CB 4.15Å; A95-I99 HydrophobicContact CB-CG2 3.96Å; S96-I99 PolarHBondContact O-N 3.32Å; S96-I99 VanDerWaalsContact O-N 3.09Å; S96-I99 WeakPolarHBondContact OG-CD1 3.25Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.22Å; I99-I103 HydrophobicContact CG1-CD1 4.32Å; I99-I103 HydrophobicContact CG2-CB 4.46Å; I99-I103 WeakPolarHBondContact O-CB 3.48Å; I99-I103 PolarHBondContact O-N 3.45Å; I99-I103 VanDerWaalsContact O-N 3.08Å; I99-L104 HydrophobicContact CG2-CD1 3.85Å; I99-L104 HydrophobicContact CG2-CG 3.72Å; I99-L104 PolarHBondContact O-N 2.84Å; I99-F143 HydrophobicContact CB-CB 4.36Å; I99-F143 HydrophobicContact CD1-CB 3.81Å; I99-F143 HydrophobicContact CG2-CB 3.68Å; I99-F143 HydrophobicContact CG2-CD1 4.43Å; I99-F143 HydrophobicContact CG2-CG 4.18Å; I99-I144 WeakPolarHBondContact CD1-O 3.39Å; I99-E145 HydrophobicContact CD1-CG 4.38Å; I99-E145 HydrophobicContact CG1-CG 4.45Å; I99-W158 HydrophobicContact CD1-CZ3 4.35Å; I99-W158 HydrophobicContact CG2-CH2 4.18Å; I99-W158 HydrophobicContact CG2-CZ3 3.66Å; I99-L265 HydrophobicContact CD1-CB 4.11Å; I99-L265 HydrophobicContact CD1-CD1 4.32Å; I99-L265 HydrophobicContact CD1-CD2 4.3Å; I99-L265 HydrophobicContact CD1-CG 4.49Å; I99-L265 HydrophobicContact CG1-CD1 4.04Å; I99-L265 HydrophobicContact CG1-CD2 4.48Å
100G97Very high95.3Very high3 Ų329.6 Ų29.63%0.03116%0.159CC..Hα-helixtrans-65-34.5-177.800000113.6S96 P105S96-G100 PolarHBondContact O-N 2.99Å; G100-P105 VanDerWaalsContact O-CD 3.28Å; G100-P105 WeakPolarHBondContact O-CD 3.36Å; G100-P105 WeakPolarHBondContact O-CG 3.41Å
101N95.6Very high95.8Very high82 Ų8228.5 Ų28.544%0.43915%0.15SC..Hα-helixtrans-90.9-34.3-177.5-65.6-21.5000113.6S97 I99S97-N101 VanDerWaalsContact O-CB 3.24Å; S97-N101 WeakPolarHBondContact O-CB 3.28Å; S97-N101 VanDerWaalsContact O-CG 3.29Å; S97-N101 PolarHBondContact O-N 2.83Å; S97-N101 PolarHBondContact O-ND2 3.18Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.22Å
102Y95.5Very high95.8Very high73 Ų7334.5 Ų34.529%0.28617%0.172SC..Hα-helixtrans-116.7-10.8-167.5-55.7-90.2000114.5T98 E222 R240 V241T98-Y102 WeakPolarHBondContact O-CB 3.29Å; T98-Y102 WeakPolarHBondContact O-CD2 3.36Å; T98-Y102 PolarHBondContact O-N 2.86Å; Y102-E222 PolarHBondContact OH-OE1 3.42Å; Y102-R240 WeakPolarHBondContact CD1-O 3.4Å; Y102-V241 HydrophobicContact CD2-CG2 3.87Å; Y102-V241 HydrophobicContact CE2-CB 4.15Å; Y102-V241 HydrophobicContact CE2-CG1 4.15Å; Y102-V241 HydrophobicContact CE2-CG2 3.61Å
103I96.2Very high95.7Very high3 Ų336.6 Ų36.62%0.01519%0.186CC..THydrogen-bonded Turntrans-122.6-58.5-174.7-55-179.2000111.5I99 A106 W158 L159 L265 V291I99-I103 HydrophobicContact CG1-CD1 4.32Å; I99-I103 HydrophobicContact CG2-CB 4.46Å; I99-I103 WeakPolarHBondContact O-CB 3.48Å; I99-I103 PolarHBondContact O-N 3.45Å; I99-I103 VanDerWaalsContact O-N 3.08Å; I103-A106 PolarHBondContact O-N 3.13Å; I103-W158 HydrophobicContact CG2-CH2 3.79Å; I103-W158 HydrophobicContact CG2-CZ2 4.48Å; I103-W158 HydrophobicContact CG2-CZ3 4.37Å; I103-L159 HydrophobicContact CD1-CD1 4.25Å; I103-L159 HydrophobicContact CG2-CD1 4.01Å; I103-L265 HydrophobicContact CD1-CD1 3.58Å; I103-V291 HydrophobicContact CG2-CG1 3.48Å; I103-V291 VanDerWaalsContact CG2-CG1 3.48Å
104L97.1Very high95.4Very high0 Ų040.5 Ų40.50%021%0.207CC..Hα-helixtrans-61.5-31.9-175.5-76.3177.3000115.4I93 A95 I99 A106 V107 I108 L122 F143 W158 F282I93-L104 HydrophobicContact CG2-CD1 3.94Å; A95-L104 HydrophobicContact CB-CD1 3.43Å; A95-L104 VanDerWaalsContact CB-CD1 3.43Å; I99-L104 HydrophobicContact CG2-CD1 3.85Å; I99-L104 HydrophobicContact CG2-CG 3.72Å; I99-L104 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.05Å; L104-V107 PolarHBondContact O-N 3.32Å; L104-V107 VanDerWaalsContact O-N 3.09Å; L104-I108 HydrophobicContact CB-CD1 4.12Å; L104-I108 WeakPolarHBondContact O-CB 3.5Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.33Å; L104-I108 PolarHBondContact O-N 3.01Å; L104-L122 HydrophobicContact CD1-CD1 3.81Å; L104-F143 HydrophobicContact CD1-CD2 3.97Å; L104-F143 HydrophobicContact CD1-CE2 4.29Å; L104-F143 HydrophobicContact CD1-CG 4.38Å; L104-F143 HydrophobicContact CD2-CD2 4.47Å; L104-F143 HydrophobicContact CD2-CE1 4.32Å; L104-F143 HydrophobicContact CD2-CE2 4.15Å; L104-F143 HydrophobicContact CD2-CZ 4.07Å; L104-W158 HydrophobicContact CD2-CH2 4.13Å; L104-F282 HydrophobicContact CD2-CZ 4.32Å
105P95.7Very high94.9Very high62 Ų6242.3 Ų42.340%0.40322%0.215SC..Hα-helixtrans-56.6-39.6179.4-29.738.1000113.2G100 A109G100-P105 VanDerWaalsContact O-CD 3.28Å; G100-P105 WeakPolarHBondContact O-CD 3.36Å; G100-P105 WeakPolarHBondContact O-CG 3.41Å; P105-A109 WeakPolarHBondContact O-CB 3.3Å; P105-A109 PolarHBondContact O-N 3.39Å
106A94.6Very high94.4Very high44 Ų4446.8 Ų46.836%0.36424%0.244SC..Hα-helixtrans-68.3-39.6176.900000112.3I103 L104 A109 R110 P292I103-A106 PolarHBondContact O-N 3.13Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.05Å; A106-A109 PolarHBondContact O-N 3.16Å; A106-R110 PolarHBondContact O-N 3.04Å; A106-P292 HydrophobicContact CB-CG 4.42Å
107V95.8Very high93.7Very high0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-64.9-46.2176.3179.30000110.8L104 A109 R110 Y111 F282 V291L104-V107 PolarHBondContact O-N 3.32Å; L104-V107 VanDerWaalsContact O-N 3.09Å; V107-A109 VanDerWaalsContact C-N 3.35Å; V107-A109 PolarHBondContact O-N 2.88Å; V107-R110 PolarHBondContact O-N 3.19Å; V107-Y111 PolarHBondContact O-N 2.76Å; V107-F282 HydrophobicContact CG1-CE2 4.32Å; V107-F282 HydrophobicContact CG1-CZ 4.35Å; V107-V291 HydrophobicContact CG2-CG2 4.11Å
108I95.3Very high93.2Very high16 Ų1654.3 Ų54.38%0.08228%0.277CS..Hα-helixtrans-65-38.7179.1-69.3167000110.9L104 R110 Y111 R112 I120 L122 F282L104-I108 HydrophobicContact CB-CD1 4.12Å; L104-I108 WeakPolarHBondContact O-CB 3.5Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.33Å; L104-I108 PolarHBondContact O-N 3.01Å; I108-R110 PolarHBondContact O-N 3.1Å; I108-Y111 PolarHBondContact O-N 3.45Å; I108-R112 HydrophobicContact CG2-CG 4.29Å; I108-R112 WeakPolarHBondContact O-CB 3.36Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.81Å; I108-I120 HydrophobicContact CD1-CG2 4.26Å; I108-I120 HydrophobicContact CG1-CD1 4.47Å; I108-I120 HydrophobicContact CG1-CG2 4.42Å; I108-I120 HydrophobicContact CG2-CD1 4.29Å; I108-L122 HydrophobicContact CD1-CB 4.3Å; I108-L122 HydrophobicContact CD1-CD2 3.83Å; I108-L122 HydrophobicContact CD1-CG 4.48Å; I108-F282 HydrophobicContact CG1-CE2 4.08Å; I108-F282 HydrophobicContact CG1-CZ 4.31Å
109A94.9Very high92.6Very high62 Ų6257.1 Ų57.151%0.51230%0.296SS..Hα-helixtrans-59.9-45.5176.600000111.8P105 A106 V107 R112 H113P105-A109 WeakPolarHBondContact O-CB 3.3Å; P105-A109 PolarHBondContact O-N 3.39Å; A106-A109 PolarHBondContact O-N 3.16Å; V107-A109 VanDerWaalsContact C-N 3.35Å; V107-A109 PolarHBondContact O-N 2.88Å; A109-R112 PolarHBondContact O-N 3.4Å; A109-H113 PolarHBondContact O-N 3.41Å
110R94.1Very high92.3Very high84 Ų8457.7 Ų57.732%0.31730%0.299SS..Hα-helixtrans-62.2-47.2174.3-76.3170.340.5-118.4-13.5112A106 V107 I108 R112 H113 D114 Y285 N290A106-R110 PolarHBondContact O-N 3.04Å; V107-R110 PolarHBondContact O-N 3.19Å; I108-R110 PolarHBondContact O-N 3.1Å; R110-R112 PolarHBondContact O-N 2.77Å; R110-H113 WeakPolarHBondContact O-CB 3.31Å; R110-H113 PolarHBondContact O-N 2.86Å; R110-D114 PolarHBondContact O-N 2.93Å; R110-Y285 HydrophobicContact CB-CD1 3.89Å; R110-Y285 HydrophobicContact CB-CE1 4.1Å; R110-Y285 PolarHBondContact NH1-O 2.88Å; R110-Y285 PolarHBondContact NH2-O 3.34Å; R110-N290 PolarHBondContact NH1-O 3.39Å; R110-N290 VanDerWaalsContact NH1-O 3.1Å
111Y92.7Very high92.2Very high1 Ų162.5 Ų62.50%0.00432%0.32CS..Hα-helixtrans-59.8-45.3178.7-179.9-86.8000112.1I91 V107 I108 H113 D114 Y115 L118 I120 R281 F282 Y285I91-Y111 WeakPolarHBondContact CD1-OH 3.39Å; V107-Y111 PolarHBondContact O-N 2.76Å; I108-Y111 PolarHBondContact O-N 3.45Å; Y111-H113 VanDerWaalsContact C-N 3.28Å; Y111-H113 PolarHBondContact O-N 2.94Å; Y111-D114 PolarHBondContact O-N 2.6Å; Y111-Y115 HydrophobicContact CD2-CD2 4.08Å; Y111-Y115 AromaticContact CE2-CD2 3.99Å; Y111-Y115 HydrophobicContact CE2-CD2 3.99Å; Y111-Y115 HydrophobicContact CG-CD2 4.46Å; Y111-Y115 WeakPolarHBondContact O-CB 3.39Å; Y111-Y115 PolarHBondContact O-N 2.85Å; Y111-L118 HydrophobicContact CE1-CB 4.03Å; Y111-L118 HydrophobicContact CE1-CD1 4.48Å; Y111-L118 WeakPolarHBondContact OH-CD1 3.09Å; Y111-I120 HydrophobicContact CD1-CD1 3.28Å; Y111-I120 HydrophobicContact CD1-CG1 4.21Å; Y111-I120 HydrophobicContact CE1-CD1 3.58Å; Y111-I120 HydrophobicContact CE1-CG1 4.06Å; Y111-I120 HydrophobicContact CG-CD1 3.99Å; Y111-R281 HydrophobicContact CE2-CG 4.22Å; Y111-F282 HydrophobicContact CD1-CD2 4.49Å; Y111-F282 HydrophobicContact CD2-CB 4.2Å; Y111-F282 AromaticContact CD2-CD2 3.81Å; Y111-F282 HydrophobicContact CD2-CD2 3.81Å; Y111-F282 HydrophobicContact CE2-CB 3.83Å; Y111-F282 HydrophobicContact CE2-CD2 4.14Å; Y111-F282 AromaticContact CG-CD2 3.96Å; Y111-F282 HydrophobicContact CG-CD2 3.96Å; Y111-Y285 AromaticContact CD2-CD2 3.88Å; Y111-Y285 HydrophobicContact CD2-CD2 3.88Å; Y111-Y285 HydrophobicContact CD2-CE2 4.1Å; Y111-Y285 HydrophobicContact CD2-CG 4.16Å
112R91.8Very high92.2Very high129 Ų12961.5 Ų61.549%0.48732%0.315SS..Hα-helixtrans-69.1-24.9178.8-77.2-173.9172.1171.60.5113.3I108 A109 R110 Y115 P116 I120I108-R112 HydrophobicContact CG2-CG 4.29Å; I108-R112 WeakPolarHBondContact O-CB 3.36Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.81Å; A109-R112 PolarHBondContact O-N 3.4Å; R110-R112 PolarHBondContact O-N 2.77Å; R112-Y115 CarbonylContact O-C 3.59Å; R112-P116 WeakPolarHBondContact O-CA 3.31Å; R112-I120 PolarHBondContact NH2-O 3.07Å; R112-I120 VanDerWaalsContact NH2-O 3.07Å
113H93Very high92.4Very high151 Ų15160.7 Ų60.770%0.69932%0.32SS*.Hα-helixtrans-63-46.8172-178.370.1000111A109 R110 Y111A109-H113 PolarHBondContact O-N 3.41Å; R110-H113 WeakPolarHBondContact O-CB 3.31Å; R110-H113 PolarHBondContact O-N 2.86Å; Y111-H113 VanDerWaalsContact C-N 3.28Å; Y111-H113 PolarHBondContact O-N 2.94Å
114D91.5Very high92.4Very high83 Ų8363.3 Ų63.344%0.44434%0.336SS..Hα-helixtrans-82.1-26.2-178-60.7-33.4000112.7R110 Y111 Y285R110-D114 PolarHBondContact O-N 2.93Å; Y111-D114 PolarHBondContact O-N 2.6Å; D114-Y285 VanDerWaalsContact CB-OH 3.27Å; D114-Y285 WeakPolarHBondContact CB-OH 3.37Å; D114-Y285 VanDerWaalsContact CG-OH 3.24Å; D114-Y285 WeakPolarHBondContact OD2-CE1 3.45Å; D114-Y285 VanDerWaalsContact OD2-CZ 3.29Å; D114-Y285 PolarHBondContact OD2-OH 2.85Å
115Y89.2Confident92.3Very high80 Ų8064 Ų6431%0.31434%0.342SS..  trans-131.968-177.8-56.9-74.3000112.4Y111 R112 Q117 L118 R281 Y285Y111-Y115 HydrophobicContact CD2-CD2 4.08Å; Y111-Y115 AromaticContact CE2-CD2 3.99Å; Y111-Y115 HydrophobicContact CE2-CD2 3.99Å; Y111-Y115 HydrophobicContact CG-CD2 4.46Å; Y111-Y115 WeakPolarHBondContact O-CB 3.39Å; Y111-Y115 PolarHBondContact O-N 2.85Å; R112-Y115 CarbonylContact O-C 3.59Å; Y115-Q117 VanDerWaalsContact C-N 3.26Å; Y115-Q117 PolarHBondContact O-N 2.8Å; Y115-L118 HydrophobicContact CD1-CD1 4.1Å; Y115-L118 HydrophobicContact CG-CD1 4.05Å; Y115-L118 PolarHBondContact O-N 2.87Å; Y115-R281 HydrophobicContact CE2-CG 4.07Å; Y115-R281 WeakPolarHBondContact OH-CD 3.4Å; Y115-Y285 HydrophobicContact CE2-CE2 4.01Å; Y115-Y285 WeakPolarHBondContact CE2-OH 3.37Å
116P87.2Confident92.2Very high94 Ų9462.1 Ų62.161%0.6133%0.329SS*.THydrogen-bonded Turntrans-66.3-24.4-171.625-35.2000114.5R112R112-P116 WeakPolarHBondContact O-CA 3.31Å
117Q83.6Confident92.3Very high160 Ų16060.2 Ų60.275%0.74831%0.313SS*.THydrogen-bonded Turntrans-87.6-7.8-179.5-57.6-58.2-18.300113.6Y115 P119Y115-Q117 VanDerWaalsContact C-N 3.26Å; Y115-Q117 PolarHBondContact O-N 2.8Å; Q117-P119 WeakPolarHBondContact O-CD 3.29Å
118L82.5Confident92.3Very high12 Ų1264.9 Ų64.96%0.06334%0.335CS..SBendtrans-89.3118-174.5-62-169.3000111.4N88 Y111 Y115 I120N88-L118 HydrophobicContact CB-CD1 4.22Å; N88-L118 HydrophobicContact CB-CD2 3.62Å; Y111-L118 HydrophobicContact CE1-CB 4.03Å; Y111-L118 HydrophobicContact CE1-CD1 4.48Å; Y111-L118 WeakPolarHBondContact OH-CD1 3.09Å; Y115-L118 HydrophobicContact CD1-CD1 4.1Å; Y115-L118 HydrophobicContact CG-CD1 4.05Å; Y115-L118 PolarHBondContact O-N 2.87Å; L118-I120 PolarHBondContact O-N 2.91Å
119P84Confident92.3Very high61 Ų6167.3 Ų67.340%0.39635%0.348SS..  trans-69.1135.9-178.915.7-13.9000111.1A90 I91 Q117A90-P119 VanDerWaalsContact CA-O 3.31Å; A90-P119 WeakPolarHBondContact CA-O 3.37Å; A90-P119 HydrophobicContact CB-CB 3.73Å; A90-P119 HydrophobicContact CB-CG 3.72Å; I91-P119 PolarHBondContact N-O 3.49Å; Q117-P119 WeakPolarHBondContact O-CD 3.29Å
120I91.8Very high92.4Very high11 Ų1164.4 Ų64.46%0.05632%0.324CS..EExtended strand (participates in β ladder)trans-124.5126.2168.5-68.6-177.7000107.5I91 I93 I108 Y111 R112 L118 F282I91-I120 HydrophobicContact CB-CG1 4.46Å; I91-I120 WeakPolarHBondContact O-CA 3.22Å; I93-I120 HydrophobicContact CD1-CG2 3.77Å; I108-I120 HydrophobicContact CD1-CG2 4.26Å; I108-I120 HydrophobicContact CG1-CD1 4.47Å; I108-I120 HydrophobicContact CG1-CG2 4.42Å; I108-I120 HydrophobicContact CG2-CD1 4.29Å; Y111-I120 HydrophobicContact CD1-CD1 3.28Å; Y111-I120 HydrophobicContact CD1-CG1 4.21Å; Y111-I120 HydrophobicContact CE1-CD1 3.58Å; Y111-I120 HydrophobicContact CE1-CG1 4.06Å; Y111-I120 HydrophobicContact CG-CD1 3.99Å; R112-I120 PolarHBondContact NH2-O 3.07Å; R112-I120 VanDerWaalsContact NH2-O 3.07Å; L118-I120 PolarHBondContact O-N 2.91Å; I120-F282 HydrophobicContact CD1-CD2 3.88Å; I120-F282 HydrophobicContact CD1-CE2 3.89Å
121E94Very high92.6Very high104 Ų10461.4 Ų61.449%0.48631%0.314SS..EExtended strand (participates in β ladder)trans-105.5119170.4-67.1175.4-165.800108.5I91 R92 I93I91-E121 PolarHBondContact O-N 3.39Å; R92-E121 HydrophobicContact CG-CB 4.44Å; R92-E121 IonicContact NE-OE2 3.9Å; I93-E121 PolarHBondContact N-O 3.41Å
122L96.8Very high92.8Very high61 Ų6164.9 Ų64.932%0.31933%0.33SS..EExtended strand (participates in β ladder)trans-111.7121.7175.7176.164.7000109.7I93 A95 L104 I108 V124I93-L122 HydrophobicContact CB-CD1 4.1Å; I93-L122 HydrophobicContact CG2-CD1 3.83Å; I93-L122 WeakPolarHBondContact O-CA 3.15Å; A95-L122 HydrophobicContact CB-CD1 4.17Å; L104-L122 HydrophobicContact CD1-CD1 3.81Å; I108-L122 HydrophobicContact CD1-CB 4.3Å; I108-L122 HydrophobicContact CD1-CD2 3.83Å; I108-L122 HydrophobicContact CD1-CG 4.48Å; L122-V124 HydrophobicContact CD2-CG2 4.36Å; L122-V124 HydrophobicContact CG-CG2 4.19Å
123S98Very high93Very high57 Ų5758.8 Ų58.840%0.39931%0.307SS..EExtended strand (participates in β ladder)trans-104.9147.7166.4-64.70000110.5I93 Y94 A95I93-S123 PolarHBondContact O-N 3.32Å; Y94-S123 WeakPolarHBondContact CA-O 2.98Å; Y94-S123 VanDerWaalsContact CD2-O 3.24Å; Y94-S123 WeakPolarHBondContact CD2-O 3.4Å; A95-S123 PolarHBondContact N-O 3.48Å
124V97.2Very high93.3Very high58 Ų5851.7 Ų51.735%0.35228%0.275SS..EExtended strand (participates in β ladder)trans-129.3136.9-178.6-175.40000110.6Y94 A95 L122Y94-V124 VanDerWaalsContact CE2-C 3.43Å; A95-V124 WeakPolarHBondContact O-CA 3.18Å; L122-V124 HydrophobicContact CD2-CG2 4.36Å; L122-V124 HydrophobicContact CG-CG2 4.19Å
125G94.9Very high93.5Very high13 Ų1350.2 Ų50.213%0.13427%0.266CS..EExtended strand (participates in β ladder)trans-171.6-162.5-17000000112.2A95 S96 S97A95-G125 PolarHBondContact O-N 2.87Å; A95-G125 VanDerWaalsContact O-N 3.1Å; S96-G125 CarbonylContact C-O 3.55Å; S96-G125 WeakPolarHBondContact CA-O 3.33Å; S97-G125 PolarHBondContact N-O 3.21Å; S97-G125 PolarHBondContact OG-O 3.32Å
126N94.2Very high93.6Very high23 Ų2349.3 Ų49.312%0.12327%0.267CS..  trans-88.4168.5173.773.937.9000111.1Q128 D129 V130 E192 G194N126-Q128 VanDerWaalsContact C-N 3.28Å; N126-Q128 PolarHBondContact O-N 3.1Å; N126-Q128 WeakPolarHBondContact OD1-CA 3.46Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; N126-D129 PolarHBondContact ND2-OD2 2.49Å; N126-D129 PolarHBondContact O-N 3.41Å; N126-D129 VanDerWaalsContact OD1-CG 3.23Å; N126-D129 PolarHBondContact OD1-N 3.01Å; N126-D129 PolarHBondContact OD1-OD2 3.34Å; N126-V130 VanDerWaalsContact O-CG2 3.29Å; N126-V130 WeakPolarHBondContact O-CG2 3.24Å; N126-V130 PolarHBondContact O-N 3.43Å; N126-E192 WeakPolarHBondContact CB-OE1 3.41Å; N126-G194 PolarHBondContact OD1-O 3.32Å
127S95.9Very high93.9Very high4 Ų445.9 Ų45.93%0.02824%0.242CC..Hα-helixtrans-62.3-35.9-176.9-63.20000112.6V130 M131 E145 G194 G196S127-V130 PolarHBondContact O-N 3.3Å; S127-M131 WeakPolarHBondContact O-CG 3.42Å; S127-M131 PolarHBondContact O-N 3.36Å; S127-E145 PolarHBondContact OG-N 3.02Å; S127-G194 PolarHBondContact N-O 2.79Å; S127-G196 WeakPolarHBondContact OG-CA 3.46Å; S127-G196 PolarHBondContact OG-N 3.43Å; S127-G196 VanDerWaalsContact OG-N 3.13Å
128Q95.3Very high94.3Very high99 Ų9945 Ų4546%0.46323%0.232SC..Hα-helixtrans-63.6-43.7177.7-172.86632.100111.9N126 V130 M131 Q132 G194N126-Q128 VanDerWaalsContact C-N 3.28Å; N126-Q128 PolarHBondContact O-N 3.1Å; N126-Q128 WeakPolarHBondContact OD1-CA 3.46Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; Q128-V130 PolarHBondContact O-N 3.22Å; Q128-M131 PolarHBondContact O-N 3.2Å; Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 2.86Å; Q128-G194 PolarHBondContact N-O 3.06Å
129D95.8Very high95Very high67 Ų6745 Ų4536%0.35823%0.233SC..Hα-helixtrans-63.3-40.6178.2-61.7-33.8000111.2N126 Q132 A133N126-D129 PolarHBondContact ND2-OD2 2.49Å; N126-D129 PolarHBondContact O-N 3.41Å; N126-D129 VanDerWaalsContact OD1-CG 3.23Å; N126-D129 PolarHBondContact OD1-N 3.01Å; N126-D129 PolarHBondContact OD1-OD2 3.34Å; D129-Q132 PolarHBondContact O-N 3.2Å; D129-A133 WeakPolarHBondContact O-CB 3.41Å; D129-A133 PolarHBondContact O-N 3.29Å
130V98Very high95.5Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-63.6-49.5176176.20000110.6Y94 A95 N126 S127 Q128 Q132 A133 V134 I144 I268Y94-V130 HydrophobicContact CD2-CB 4.48Å; Y94-V130 HydrophobicContact CD2-CG2 3.5Å; Y94-V130 VanDerWaalsContact CD2-CG2 3.5Å; Y94-V130 HydrophobicContact CE2-CG2 4.01Å; Y94-V130 HydrophobicContact CG-CB 4.46Å; Y94-V130 HydrophobicContact CG-CG2 3.92Å; Y94-V130 VanDerWaalsContact O-CG1 3.32Å; Y94-V130 WeakPolarHBondContact O-CG1 3.46Å; A95-V130 VanDerWaalsContact C-CG2 3.47Å; N126-V130 VanDerWaalsContact O-CG2 3.29Å; N126-V130 WeakPolarHBondContact O-CG2 3.24Å; N126-V130 PolarHBondContact O-N 3.43Å; S127-V130 PolarHBondContact O-N 3.3Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; Q128-V130 PolarHBondContact O-N 3.22Å; V130-Q132 VanDerWaalsContact C-N 3.32Å; V130-Q132 PolarHBondContact O-N 2.89Å; V130-A133 PolarHBondContact O-N 3.35Å; V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 3.46Å; V130-I144 HydrophobicContact CB-CG2 3.7Å; V130-I144 HydrophobicContact CG1-CG2 3.44Å; V130-I144 VanDerWaalsContact CG1-CG2 3.44Å; V130-I144 HydrophobicContact CG2-CG2 4.45Å; V130-I268 HydrophobicContact CG1-CD1 4.18Å
131M97.4Very high95.8Very high21 Ų2142.5 Ų42.510%0.10322%0.216CC..Hα-helixtrans-59-44.4177-74.1-173.3-67.600111.5S127 Q128 V134 L135 I144 C148 I153 I268S127-M131 WeakPolarHBondContact O-CG 3.42Å; S127-M131 PolarHBondContact O-N 3.36Å; Q128-M131 PolarHBondContact O-N 3.2Å; M131-V134 PolarHBondContact O-N 3.41Å; M131-L135 WeakPolarHBondContact O-CG 3.5Å; M131-L135 PolarHBondContact O-N 3.45Å; M131-I144 HydrophobicContact CG-CD1 4.09Å; M131-I144 HydrophobicContact CG-CG2 4.34Å; M131-I144 HydrophobicContact SD-CD1 4.13Å; M131-C148 HydrophobicContact SD-CB 3.97Å; M131-I153 HydrophobicContact CB-CD1 4.23Å; M131-I153 HydrophobicContact CG-CD1 4.39Å; M131-I268 HydrophobicContact CB-CD1 4.48Å; M131-I268 HydrophobicContact CG-CD1 3.84Å
132Q96.3Very high96Very high75 Ų7537.6 Ų37.635%0.3519%0.193SC..Hα-helixtrans-64.2-42.4178.4-170.260.354.600111.4Q128 D129 V130 V134 L135 D136Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 2.86Å; D129-Q132 PolarHBondContact O-N 3.2Å; V130-Q132 VanDerWaalsContact C-N 3.32Å; V130-Q132 PolarHBondContact O-N 2.89Å; Q132-V134 VanDerWaalsContact C-N 3.29Å; Q132-V134 PolarHBondContact O-N 2.93Å; Q132-L135 PolarHBondContact O-N 3.42Å; Q132-D136 PolarHBondContact NE2-OD1 3.01Å; Q132-D136 PolarHBondContact NE2-OD2 3.26Å; Q132-D136 WeakPolarHBondContact O-CB 3.22Å; Q132-D136 PolarHBondContact O-N 3.04Å; Q132-D136 VanDerWaalsContact O-OD2 3.12Å
133A97.4Very high96.1Very high1 Ų134.7 Ų34.71%0.00818%0.178CC..Hα-helixtrans-62.6-35.1176.600000113Y94 D129 V130 F137 R138 V139Y94-A133 HydrophobicContact CD1-CB 3.48Å; Y94-A133 VanDerWaalsContact CD1-CB 3.48Å; Y94-A133 HydrophobicContact CE1-CB 4.05Å; Y94-A133 HydrophobicContact CG-CB 4.46Å; D129-A133 WeakPolarHBondContact O-CB 3.41Å; D129-A133 PolarHBondContact O-N 3.29Å; V130-A133 PolarHBondContact O-N 3.35Å; A133-F137 PolarHBondContact O-N 3.4Å; A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 PolarHBondContact O-N 2.82Å; A133-V139 HydrophobicContact CB-CG1 4.41Å; A133-V139 HydrophobicContact CB-CG2 3.97Å; A133-V139 PolarHBondContact O-N 3.25Å
134V97.7Very high96.1Very high2 Ų232 Ų321%0.01216%0.159CC..Hα-helixtrans-68.5-44.5173.3171.20000111.1V130 M131 Q132 D136 F137 V139 I153 I268 H270V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 3.46Å; M131-V134 PolarHBondContact O-N 3.41Å; Q132-V134 VanDerWaalsContact C-N 3.29Å; Q132-V134 PolarHBondContact O-N 2.93Å; V134-D136 VanDerWaalsContact C-N 3.27Å; V134-D136 PolarHBondContact O-N 2.93Å; V134-F137 PolarHBondContact O-N 2.95Å; V134-V139 HydrophobicContact CG2-CG2 3.73Å; V134-I153 HydrophobicContact CG1-CD1 4.26Å; V134-I153 HydrophobicContact CG1-CG1 4.01Å; V134-I268 HydrophobicContact CB-CD1 4.3Å; V134-I268 HydrophobicContact CG2-CD1 3.91Å; V134-I268 HydrophobicContact CG2-CG1 4.09Å; V134-H270 HydrophobicContact CG1-CB 4.24Å; V134-H270 VanDerWaalsContact CG1-N 3.27Å
135L95.6Very high96Very high51 Ų5129.3 Ų29.327%0.26714%0.143SC..Hα-helixtrans-59.2-39.1176.2-72.9168.1000112.4M131 Q132 F137 E152 I153M131-L135 WeakPolarHBondContact O-CG 3.5Å; M131-L135 PolarHBondContact O-N 3.45Å; Q132-L135 PolarHBondContact O-N 3.42Å; L135-F137 VanDerWaalsContact C-N 3.26Å; L135-F137 PolarHBondContact O-N 2.89Å; L135-E152 HydrophobicContact CD2-CB 3.77Å; L135-I153 HydrophobicContact CD1-CD1 4.32Å; L135-I153 HydrophobicContact CD2-CD1 3.96Å; L135-I153 HydrophobicContact CD2-CG1 3.87Å; L135-I153 HydrophobicContact CG-CD1 3.81Å; L135-I153 HydrophobicContact CG-CG1 4.22Å
136D93.1Very high95.6Very high61 Ų6128.8 Ų28.833%0.32614%0.137SC..THydrogen-bonded Turntrans-831.4-178.3-60-25000113.6Q132 V134 R138Q132-D136 PolarHBondContact NE2-OD1 3.01Å; Q132-D136 PolarHBondContact NE2-OD2 3.26Å; Q132-D136 WeakPolarHBondContact O-CB 3.22Å; Q132-D136 PolarHBondContact O-N 3.04Å; Q132-D136 VanDerWaalsContact O-OD2 3.12Å; V134-D136 VanDerWaalsContact C-N 3.27Å; V134-D136 PolarHBondContact O-N 2.93Å; D136-R138 HydrophobicContact CB-CG 3.87Å; D136-R138 PolarHBondContact O-N 2.91Å; D136-R138 IonicContact OD2-CZ 3.79Å; D136-R138 IonicContact OD2-NE 3.94Å; D136-R138 PolarHBondContact OD2-NE 2.88Å; D136-R138 IonicContact OD2-NH2 3.93Å
137F92.9Very high95.1Very high22 Ų2229.7 Ų29.710%0.09615%0.145CC..THydrogen-bonded Turntrans53.330.3-170.5-62.6-97.1000114.1Y67 P68 L71 A133 V134 L135 V139 H270 Q272 K273Y67-F137 HydrophobicContact CD1-CD2 4.1Å; Y67-F137 HydrophobicContact CE1-CB 4.15Å; Y67-F137 AromaticContact CE1-CD2 3.82Å; Y67-F137 HydrophobicContact CE1-CD2 3.82Å; Y67-F137 HydrophobicContact CE1-CG 4.29Å; P68-F137 HydrophobicContact CB-CE2 3.94Å; P68-F137 HydrophobicContact CB-CZ 3.58Å; P68-F137 HydrophobicContact CG-CE2 3.77Å; P68-F137 HydrophobicContact CG-CZ 3.93Å; L71-F137 HydrophobicContact CD2-CB 3.3Å; L71-F137 HydrophobicContact CD2-CD1 3.54Å; L71-F137 HydrophobicContact CD2-CD2 4.49Å; L71-F137 HydrophobicContact CD2-CE1 4.43Å; L71-F137 HydrophobicContact CD2-CG 3.55Å; A133-F137 PolarHBondContact O-N 3.4Å; V134-F137 PolarHBondContact O-N 2.95Å; L135-F137 VanDerWaalsContact C-N 3.26Å; L135-F137 PolarHBondContact O-N 2.89Å; F137-V139 VanDerWaalsContact C-N 3.3Å; F137-H270 HydrophobicContact CD1-CB 4.39Å; F137-H270 HydrophobicContact CE1-CB 3.86Å; F137-H270 AromaticContact CE1-CG 3.78Å; F137-H270 AromaticContact CE1-ND1 3.86Å; F137-H270 AromaticContact CE2-CD2 3.53Å; F137-H270 AromaticContact CE2-CE1 3.76Å; F137-H270 AromaticContact CE2-CG 3.76Å; F137-H270 AromaticContact CE2-ND1 3.85Å; F137-H270 AromaticContact CE2-NE2 3.55Å; F137-H270 HydrophobicContact CZ-CB 3.95Å; F137-H270 AromaticContact CZ-CD2 3.62Å; F137-H270 AromaticContact CZ-CE1 3.47Å; F137-H270 VanDerWaalsContact CZ-CE1 3.47Å; F137-H270 WeakPolarHBondContact CZ-CE1 3.33Å; F137-H270 AromaticContact CZ-CG 3.32Å; F137-H270 AromaticContact CZ-ND1 3.18Å; F137-H270 WeakPolarHBondContact CZ-ND1 3.5Å; F137-H270 AromaticContact CZ-NE2 3.72Å; F137-Q272 HydrophobicContact CZ-CB 4.33Å; F137-K273 HydrophobicContact CD1-CD 4.42Å
138R92.2Very high94.8Very high142 Ų14230.6 Ų30.654%0.53615%0.151SC..SBendtrans-76.5-22.2174.5-68.8-172.1-69153.43112A133 D136A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 PolarHBondContact O-N 2.82Å; D136-R138 HydrophobicContact CB-CG 3.87Å; D136-R138 PolarHBondContact O-N 2.91Å; D136-R138 IonicContact OD2-CZ 3.79Å; D136-R138 IonicContact OD2-NE 3.94Å; D136-R138 PolarHBondContact OD2-NE 2.88Å; D136-R138 IonicContact OD2-NH2 3.93Å
139V95.9Very high94.3Very high13 Ų1333 Ų338%0.07916%0.162CC..SBendtrans-133.3157.4175.8-63.20000111.2R92 Y94 A133 V134 F137R92-V139 HydrophobicContact CB-CB 4.27Å; R92-V139 HydrophobicContact CB-CG1 4.25Å; Y94-V139 HydrophobicContact CD1-CG1 4.3Å; A133-V139 HydrophobicContact CB-CG1 4.41Å; A133-V139 HydrophobicContact CB-CG2 3.97Å; A133-V139 PolarHBondContact O-N 3.25Å; V134-V139 HydrophobicContact CG2-CG2 3.73Å; F137-V139 VanDerWaalsContact C-N 3.3Å
140D95.1Very high94.2Very high17 Ų1731.7 Ų31.79%0.09116%0.158CC..SBendtrans-81.9-36-179.1-58-57.3000111.9R92 K273 L279R92-D140 PolarHBondContact N-OD2 3.38Å; R92-D140 PolarHBondContact O-N 2.68Å; D140-K273 WeakPolarHBondContact OD1-CE 3.27Å; D140-K273 IonicContact OD1-NZ 3.21Å; D140-K273 PolarHBondContact OD1-NZ 2.85Å; D140-L279 HydrophobicContact CB-CD1 4.49Å; D140-L279 HydrophobicContact CB-CD2 4.16Å
141I97.6Very high94Very high2 Ų236.6 Ų36.61%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-145.3141.2179.4-171.7165.9000110.9R92 I93 Y94 F143 I268 L279 L283R92-I141 PolarHBondContact O-N 3.03Å; I93-I141 WeakPolarHBondContact CA-O 3.4Å; I93-I141 HydrophobicContact CB-CG2 4.41Å; I93-I141 HydrophobicContact CG1-CG2 3.88Å; I93-I141 HydrophobicContact CG2-CG2 4.3Å; Y94-I141 PolarHBondContact N-O 2.74Å; Y94-I141 VanDerWaalsContact N-O 3.11Å; I141-F143 HydrophobicContact CD1-CE2 4.13Å; I141-F143 HydrophobicContact CD1-CZ 4.05Å; I141-F143 HydrophobicContact CG1-CE2 4.07Å; I141-F143 HydrophobicContact CG1-CZ 4.46Å; I141-F143 HydrophobicContact CG2-CE2 3.99Å; I141-I268 WeakPolarHBondContact CG1-O 3.27Å; I141-L279 HydrophobicContact CB-CD1 4.01Å; I141-L279 HydrophobicContact CD1-CD1 4.47Å; I141-L279 HydrophobicContact CG2-CD1 3.8Å; I141-L283 HydrophobicContact CD1-CD1 4.4Å; I141-L283 HydrophobicContact CD1-CD2 3.21Å; I141-L283 HydrophobicContact CD1-CG 4.01Å
142G98.4Very high93.9Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-110.6151.1173.200000112.1Y94 I268Y94-G142 CarbonylContact O-C 3.59Å; Y94-G142 WeakPolarHBondContact O-CA 3.46Å; G142-I268 PolarHBondContact N-O 2.73Å; G142-I268 WeakPolarHBondContact O-CG1 3.35Å; G142-I268 PolarHBondContact O-N 3.11Å
143F98.5Very high93.9Very high0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-128.1124169.7-64.1-100.5000110I93 Y94 A95 S96 I99 L104 I141 W158 W266 R267 F282I93-F143 HydrophobicContact CG2-CD2 3.72Å; I93-F143 HydrophobicContact CG2-CE2 3.7Å; Y94-F143 PolarHBondContact O-N 3.46Å; A95-F143 CarbonylContact C-O 3.56Å; A95-F143 WeakPolarHBondContact CA-O 3.18Å; A95-F143 HydrophobicContact CB-CB 4.09Å; S96-F143 PolarHBondContact N-O 3.43Å; I99-F143 HydrophobicContact CB-CB 4.36Å; I99-F143 HydrophobicContact CD1-CB 3.81Å; I99-F143 HydrophobicContact CG2-CB 3.68Å; I99-F143 HydrophobicContact CG2-CD1 4.43Å; I99-F143 HydrophobicContact CG2-CG 4.18Å; L104-F143 HydrophobicContact CD1-CD2 3.97Å; L104-F143 HydrophobicContact CD1-CE2 4.29Å; L104-F143 HydrophobicContact CD1-CG 4.38Å; L104-F143 HydrophobicContact CD2-CD2 4.47Å; L104-F143 HydrophobicContact CD2-CE1 4.32Å; L104-F143 HydrophobicContact CD2-CE2 4.15Å; L104-F143 HydrophobicContact CD2-CZ 4.07Å; I141-F143 HydrophobicContact CD1-CE2 4.13Å; I141-F143 HydrophobicContact CD1-CZ 4.05Å; I141-F143 HydrophobicContact CG1-CE2 4.07Å; I141-F143 HydrophobicContact CG1-CZ 4.46Å; I141-F143 HydrophobicContact CG2-CE2 3.99Å; F143-W158 HydrophobicContact CD1-CD2 4.06Å; F143-W158 AromaticContact CD1-CE3 3.45Å; F143-W158 HydrophobicContact CD1-CE3 3.45Å; F143-W158 VanDerWaalsContact CD1-CE3 3.45Å; F143-W158 AromaticContact CD1-CH2 3.71Å; F143-W158 HydrophobicContact CD1-CH2 3.71Å; F143-W158 HydrophobicContact CD1-CZ2 4.29Å; F143-W158 AromaticContact CD1-CZ3 3.27Å; F143-W158 HydrophobicContact CD1-CZ3 3.27Å; F143-W158 HydrophobicContact CE1-CD2 4.05Å; F143-W158 AromaticContact CE1-CE3 3.89Å; F143-W158 HydrophobicContact CE1-CE3 3.89Å; F143-W158 AromaticContact CE1-CH2 3.65Å; F143-W158 HydrophobicContact CE1-CH2 3.65Å; F143-W158 AromaticContact CE1-CZ2 3.84Å; F143-W158 HydrophobicContact CE1-CZ2 3.84Å; F143-W158 AromaticContact CE1-CZ3 3.69Å; F143-W158 HydrophobicContact CE1-CZ3 3.69Å; F143-W158 HydrophobicContact CG-CZ3 4.24Å; F143-W266 WeakPolarHBondContact CA-O 3.39Å; F143-R267 HydrophobicContact CD1-CG 3.63Å; F143-R267 HydrophobicContact CE1-CG 3.38Å; F143-R267 HydrophobicContact CZ-CG 4.21Å; F143-F282 HydrophobicContact CE2-CE1 4.28Å; F143-F282 HydrophobicContact CZ-CE1 4.16Å
144I98Very high93.9Very high0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-130.3162.1-172.564.3170.9000113.2I99 V130 M131 G146 C148 L265 W266 I268I99-I144 WeakPolarHBondContact CD1-O 3.39Å; V130-I144 HydrophobicContact CB-CG2 3.7Å; V130-I144 HydrophobicContact CG1-CG2 3.44Å; V130-I144 VanDerWaalsContact CG1-CG2 3.44Å; V130-I144 HydrophobicContact CG2-CG2 4.45Å; M131-I144 HydrophobicContact CG-CD1 4.09Å; M131-I144 HydrophobicContact CG-CG2 4.34Å; M131-I144 HydrophobicContact SD-CD1 4.13Å; I144-G146 WeakPolarHBondContact CD1-O 3.36Å; I144-G146 WeakPolarHBondContact CG1-O 3.33Å; I144-C148 HydrophobicContact CD1-CB 3.87Å; I144-L265 WeakPolarHBondContact O-CA 3.15Å; I144-W266 HydrophobicContact CG1-CB 3.88Å; I144-W266 PolarHBondContact N-O 3.4Å; I144-W266 PolarHBondContact O-N 2.92Å; I144-I268 HydrophobicContact CD1-CD1 4.26Å; I144-I268 HydrophobicContact CD1-CG2 3.87Å; I144-I268 HydrophobicContact CG1-CG2 4.03Å; I144-I268 HydrophobicContact CG2-CD1 3.9Å; I144-I268 HydrophobicContact CG2-CG1 4.38Å
145E95.1Very high93.9Very high2 Ų240.4 Ų40.41%0.00921%0.21CC..SBendtrans-102.212-171.3-85.7167.6-134.300114.9S96 T98 I99 S127 T197 R263 L265S96-E145 WeakPolarHBondContact CB-OE1 3.2Å; S96-E145 WeakPolarHBondContact OG-CG 3.43Å; S96-E145 PolarHBondContact OG-OE1 2.83Å; T98-E145 WeakPolarHBondContact CA-OE1 3.32Å; T98-E145 VanDerWaalsContact CB-CD 3.48Å; T98-E145 WeakPolarHBondContact CB-OE1 3.19Å; T98-E145 PolarHBondContact N-OE1 2.64Å; T98-E145 PolarHBondContact OG1-OE1 3.38Å; T98-E145 PolarHBondContact OG1-OE2 3.12Å; T98-E145 VanDerWaalsContact OG1-OE2 3.11Å; I99-E145 HydrophobicContact CD1-CG 4.38Å; I99-E145 HydrophobicContact CG1-CG 4.45Å; S127-E145 PolarHBondContact OG-N 3.02Å; E145-T197 PolarHBondContact OE2-OG1 3.37Å; E145-R263 IonicContact OE2-CZ 2.89Å; E145-R263 IonicContact OE2-NH1 2.83Å; E145-R263 PolarHBondContact OE2-NH1 3Å; E145-R263 IonicContact OE2-NH2 3.63Å; E145-R263 PolarHBondContact OE2-NH2 3.48Å; E145-L265 HydrophobicContact CB-CD2 4.29Å; E145-L265 HydrophobicContact CG-CD2 3.74Å
146G87.5Confident93.9Very high2 Ų241.8 Ų41.82%0.02122%0.215CC..SBendtrans-162.2174.9-175.900000110.8I144I144-G146 WeakPolarHBondContact CD1-O 3.36Å; I144-G146 WeakPolarHBondContact CG1-O 3.33Å
147P84.2Confident94Very high43 Ų4342.9 Ų42.928%0.27923%0.226SC..  trans-63.5148-179.828.7-34.6000111.4
148C88.8Confident94.1Very high23 Ų2342.4 Ų42.416%0.15522%0.223CC..  trans-101127.2167.6173.10000109.6M131 I144 I153 I268M131-C148 HydrophobicContact SD-CB 3.97Å; I144-C148 HydrophobicContact CD1-CB 3.87Å; C148-I153 HydrophobicContact CB-CG2 4.35Å; C148-I153 VanDerWaalsContact SG-CB 3.59Å; C148-I153 VanDerWaalsContact SG-CD1 3.56Å; C148-I153 VanDerWaalsContact SG-CG2 3.56Å; C148-I268 HydrophobicContact CB-CG2 4.32Å
149H84.6Confident94.3Very high150 Ų15036.4 Ų36.469%0.69420%0.202SC*.  trans-98.2-1.5-178.6-60.6-58.5000114.4E199H149-E199 IonicContact NE2-OE1 3.31Å
150S92.9Very high94.3Very high39 Ų3940.9 Ų40.927%0.27322%0.222SC..  trans-79.3132179-178.20000112.2E152 I153S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 2.74Å; S150-E152 PolarHBondContact OG-N 3.4Å; S150-I153 PolarHBondContact O-N 3.31Å
151T94.2Very high94.4Very high102 Ų10240.3 Ų40.363%0.62622%0.219SC*.THydrogen-bonded Turntrans-70.8-21174.654.40000113.3I153 R271T151-I153 VanDerWaalsContact C-N 3.27Å; T151-R271 VanDerWaalsContact O-CZ 3.31Å; T151-R271 PolarHBondContact O-NE 3.42Å; T151-R271 PolarHBondContact O-NH2 3.11Å
152E95.3Very high94.4Very high79 Ų7941.4 Ų41.437%0.36922%0.224SC..THydrogen-bonded Turntrans-81.5-7.9178.3-61.3-51.1115.300112.7L135 S150 H270 R271L135-E152 HydrophobicContact CD2-CB 3.77Å; S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 2.74Å; S150-E152 PolarHBondContact OG-N 3.4Å; E152-H270 CarbonylContact O-C 3.51Å; E152-R271 WeakPolarHBondContact O-CB 3.39Å; E152-R271 PolarHBondContact O-N 2.99Å
153I97.8Very high94.4Very high9 Ų941.6 Ų41.65%0.04623%0.225CC..EExtended strand (participates in β ladder)trans-106.3132.9177.6-71.3171.3000109.6M131 V134 L135 C148 S150 T151 I268 H269M131-I153 HydrophobicContact CB-CD1 4.23Å; M131-I153 HydrophobicContact CG-CD1 4.39Å; V134-I153 HydrophobicContact CG1-CD1 4.26Å; V134-I153 HydrophobicContact CG1-CG1 4.01Å; L135-I153 HydrophobicContact CD1-CD1 4.32Å; L135-I153 HydrophobicContact CD2-CD1 3.96Å; L135-I153 HydrophobicContact CD2-CG1 3.87Å; L135-I153 HydrophobicContact CG-CD1 3.81Å; L135-I153 HydrophobicContact CG-CG1 4.22Å; C148-I153 HydrophobicContact CB-CG2 4.35Å; C148-I153 VanDerWaalsContact SG-CB 3.59Å; C148-I153 VanDerWaalsContact SG-CD1 3.56Å; C148-I153 VanDerWaalsContact SG-CG2 3.56Å; S150-I153 PolarHBondContact O-N 3.31Å; T151-I153 VanDerWaalsContact C-N 3.27Å; I153-I268 HydrophobicContact CD1-CD1 4.37Å; I153-I268 HydrophobicContact CG2-CB 3.65Å; I153-I268 HydrophobicContact CG2-CD1 4.43Å; I153-I268 HydrophobicContact CG2-CG2 3.93Å; I153-H269 WeakPolarHBondContact CA-O 3.41Å
154I97.2Very high94.4Very high55 Ų5541.7 Ų41.728%0.28223%0.226SC..EExtended strand (participates in β ladder)trans-86.6123.1162.5-65172.5000107E156 I268 H269 R271I154-E156 HydrophobicContact CG2-CG 4.34Å; I154-I268 VanDerWaalsContact O-CA 3.28Å; I154-I268 WeakPolarHBondContact O-CA 3.33Å; I154-H269 PolarHBondContact N-O 2.82Å; I154-H269 PolarHBondContact O-N 2.88Å; I154-R271 HydrophobicContact CD1-CB 4.33Å; I154-R271 HydrophobicContact CD1-CG 4.26Å; I154-R271 HydrophobicContact CG1-CB 4.15Å; I154-R271 HydrophobicContact CG1-CG 4.34Å
155S96.6Very high94.4Very high36 Ų3641.9 Ų41.925%0.25223%0.227SC..EExtended strand (participates in β ladder)trans-120.5124.2-178.8-173.50000110.2R267S155-R267 WeakPolarHBondContact CA-O 3.36Å
156E95.5Very high94.6Very high81 Ų8141.8 Ų41.838%0.37923%0.226SC..EExtended strand (participates in β ladder)trans-120.2129.4-176.9-66.1176.7173.900110.1I154 W158 W266 R267I154-E156 HydrophobicContact CG2-CG 4.34Å; E156-W158 PolarHBondContact O-N 3.41Å; E156-W266 VanDerWaalsContact C-CE3 3.44Å; E156-W266 WeakPolarHBondContact O-CA 3.45Å; E156-R267 PolarHBondContact N-O 2.99Å; E156-R267 PolarHBondContact O-N 3.21Å
157P95.3Very high95.1Very high84 Ų8441.7 Ų41.755%0.54523%0.225SC..EExtended strand (participates in β ladder)trans-54.7137.6170.7-22.432.4000110.2T264 W266P157-T264 HydrophobicContact CB-CG2 3.91Å; P157-W266 HydrophobicContact CB-CE3 4.47Å; P157-W266 HydrophobicContact CB-CZ3 4.29Å; P157-W266 VanDerWaalsContact CD-CZ3 3.49Å; P157-W266 HydrophobicContact CG-CE3 4.09Å; P157-W266 HydrophobicContact CG-CH2 3.86Å; P157-W266 HydrophobicContact CG-CZ3 3.5Å
158W95.6Very high95.8Very high11 Ų1139.8 Ų39.84%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-124.4-64.6-175.9-178.836000112.8I99 I103 L104 F143 E156 L265 R267 C286 P288 V291I99-W158 HydrophobicContact CD1-CZ3 4.35Å; I99-W158 HydrophobicContact CG2-CH2 4.18Å; I99-W158 HydrophobicContact CG2-CZ3 3.66Å; I103-W158 HydrophobicContact CG2-CH2 3.79Å; I103-W158 HydrophobicContact CG2-CZ2 4.48Å; I103-W158 HydrophobicContact CG2-CZ3 4.37Å; L104-W158 HydrophobicContact CD2-CH2 4.13Å; F143-W158 HydrophobicContact CD1-CD2 4.06Å; F143-W158 AromaticContact CD1-CE3 3.45Å; F143-W158 HydrophobicContact CD1-CE3 3.45Å; F143-W158 VanDerWaalsContact CD1-CE3 3.45Å; F143-W158 AromaticContact CD1-CH2 3.71Å; F143-W158 HydrophobicContact CD1-CH2 3.71Å; F143-W158 HydrophobicContact CD1-CZ2 4.29Å; F143-W158 AromaticContact CD1-CZ3 3.27Å; F143-W158 HydrophobicContact CD1-CZ3 3.27Å; F143-W158 HydrophobicContact CE1-CD2 4.05Å; F143-W158 AromaticContact CE1-CE3 3.89Å; F143-W158 HydrophobicContact CE1-CE3 3.89Å; F143-W158 AromaticContact CE1-CH2 3.65Å; F143-W158 HydrophobicContact CE1-CH2 3.65Å; F143-W158 AromaticContact CE1-CZ2 3.84Å; F143-W158 HydrophobicContact CE1-CZ2 3.84Å; F143-W158 AromaticContact CE1-CZ3 3.69Å; F143-W158 HydrophobicContact CE1-CZ3 3.69Å; F143-W158 HydrophobicContact CG-CZ3 4.24Å; E156-W158 PolarHBondContact O-N 3.41Å; W158-L265 WeakPolarHBondContact CA-O 3.45Å; W158-L265 VanDerWaalsContact CB-O 3.31Å; W158-L265 WeakPolarHBondContact CB-O 3.29Å; W158-L265 HydrophobicContact CE3-CB 4.44Å; W158-L265 PolarHBondContact N-O 2.92Å; W158-R267 HydrophobicContact CB-CG 3.89Å; W158-R267 HydrophobicContact CD2-CG 3.99Å; W158-R267 HydrophobicContact CE3-CG 4.43Å; W158-R267 HydrophobicContact CG-CG 3.75Å; W158-C286 HydrophobicContact CZ2-CB 4.06Å; W158-C286 PolarHBondContact NE1-O 3.07Å; W158-P288 WeakPolarHBondContact O-CG 3.48Å; W158-V291 HydrophobicContact CZ2-CG2 3.9Å
159L96.3Very high96.2Very high17 Ų1741.4 Ų41.49%0.08922%0.224CC..EExtended strand (participates in β ladder)trans-134.3153.4-176.3-63.8169.7000110.2I103 T264 L265 P288 V291I103-L159 HydrophobicContact CD1-CD1 4.25Å; I103-L159 HydrophobicContact CG2-CD1 4.01Å; L159-T264 CarbonylContact O-C 3.58Å; L159-T264 WeakPolarHBondContact O-CA 3.46Å; L159-L265 HydrophobicContact CB-CB 4.23Å; L159-L265 HydrophobicContact CB-CD1 4.15Å; L159-L265 HydrophobicContact CB-CG 4.47Å; L159-L265 PolarHBondContact N-O 3.24Å; L159-L265 PolarHBondContact O-N 3.42Å; L159-P288 HydrophobicContact CD2-CB 3.87Å; L159-P288 HydrophobicContact CD2-CG 4.34Å; L159-V291 HydrophobicContact CD1-CB 4.22Å; L159-V291 HydrophobicContact CD1-CG1 3.73Å; L159-V291 HydrophobicContact CD1-CG2 4.3Å; L159-V291 HydrophobicContact CD2-CB 4.11Å; L159-V291 HydrophobicContact CD2-CG1 4.41Å; L159-V291 HydrophobicContact CD2-CG2 4.38Å
160E95.9Very high96.8Very high107 Ų10739.7 Ų39.750%0.522%0.224SC..EExtended strand (participates in β ladder)trans-90.9141.4166.2-67.9-63.7121.600109.7M262 T264E160-M262 HydrophobicContact CB-CE 4.36Å; E160-T264 WeakPolarHBondContact OE1-CB 3.36Å; E160-T264 PolarHBondContact OE1-OG1 3.31Å
161D97.1Very high97Very high5 Ų538.9 Ų38.93%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-136.9147.1-179.9-176.646.2000110S238 R240 R263 L265D161-S238 VanDerWaalsContact CG-OG 3.32Å; D161-S238 PolarHBondContact OD1-OG 3.49Å; D161-S238 VanDerWaalsContact OD2-CB 3.25Å; D161-S238 WeakPolarHBondContact OD2-CB 3.41Å; D161-S238 PolarHBondContact OD2-OG 2.97Å; D161-S238 VanDerWaalsContact OD2-OG 3.1Å; D161-R240 IonicContact OD1-NE 3.07Å; D161-R263 HydrophobicContact CB-CG 3.93Å; D161-R263 PolarHBondContact N-O 2.99Å; D161-R263 PolarHBondContact O-N 3.37Å; D161-R263 IonicContact OD2-CZ 3.87Å; D161-R263 IonicContact OD2-NE 2.79Å; D161-R263 PolarHBondContact OD2-NE 3.29Å; D161-R263 IonicContact OD2-NH2 2.99Å; D161-R263 PolarHBondContact OD2-NH2 3.46Å; D161-L265 HydrophobicContact CB-CD1 3.87Å; D161-L265 HydrophobicContact CB-CD2 3.94Å; D161-L265 HydrophobicContact CB-CG 3.78Å
162E97.4Very high97.1Very high24 Ų2438.6 Ų38.611%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-108.3129.2-179.8177.4175.5-138.700109.8V164 S238 R239 R260 M262E162-V164 HydrophobicContact CG-CG2 4.05Å; E162-S238 CarbonylContact O-C 3.58Å; E162-S238 VanDerWaalsContact O-CA 3.29Å; E162-S238 WeakPolarHBondContact O-CA 3.44Å; E162-R239 PolarHBondContact O-N 2.87Å; E162-R239 IonicContact OE2-CZ 3.37Å; E162-R239 IonicContact OE2-NE 3.13Å; E162-R239 PolarHBondContact OE2-NE 3.36Å; E162-R239 IonicContact OE2-NH2 3.22Å; E162-R260 IonicContact OE1-CZ 2.67Å; E162-R260 VanDerWaalsContact OE1-CZ 3.24Å; E162-R260 IonicContact OE1-NE 3.71Å; E162-R260 PolarHBondContact OE1-NE 3.47Å; E162-R260 IonicContact OE1-NH2 2.64Å; E162-R260 PolarHBondContact OE1-NH2 3.09Å; E162-R260 IonicContact OE2-CZ 3.62Å; E162-R260 IonicContact OE2-NH2 3.41Å; E162-R260 PolarHBondContact OE2-NH2 3.31Å; E162-M262 HydrophobicContact CB-CE 4.35Å; E162-M262 HydrophobicContact CB-SD 3.92Å; E162-M262 HydrophobicContact CG-SD 4.15Å
163L98.4Very high97.1Very high4 Ų435.8 Ų35.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-91138.2166.8-59.3178.2000110T197 I200 V201 L237 L261L163-T197 HydrophobicContact CD2-CG2 4.24Å; L163-I200 HydrophobicContact CD1-CB 4.15Å; L163-I200 HydrophobicContact CD1-CG2 3.55Å; L163-V201 HydrophobicContact CD1-CG2 3.92Å; L163-L237 CarbonylContact C-O 3.56Å; L163-L237 WeakPolarHBondContact CA-O 3.48Å; L163-L261 HydrophobicContact CB-CB 3.89Å; L163-L261 WeakPolarHBondContact CB-O 3.43Å; L163-L261 PolarHBondContact N-O 2.89Å
164V98.5Very high97Very high3 Ų336.7 Ų36.72%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-126.4129.9-176.11790000108.5E162 F166 C236 L237 R239 I242 E253E162-V164 HydrophobicContact CG-CG2 4.05Å; V164-F166 WeakPolarHBondContact O-CD1 3.49Å; V164-C236 WeakPolarHBondContact O-CA 3.48Å; V164-L237 PolarHBondContact N-O 3.48Å; V164-L237 PolarHBondContact O-N 3.04Å; V164-L237 VanDerWaalsContact O-N 3.14Å; V164-R239 HydrophobicContact CG2-CB 3.77Å; V164-R239 HydrophobicContact CG2-CG 4.33Å; V164-I242 HydrophobicContact CB-CD1 3.93Å; V164-I242 HydrophobicContact CG1-CD1 3.97Å; V164-E253 HydrophobicContact CG1-CB 4.03Å; V164-E253 HydrophobicContact CG1-CG 3.55Å
165V98.7Very high96.8Very high3 Ų343.5 Ų43.52%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-79.7132.5167.8-177.20000108.4L183 W188 L205 I234 S235 C236 V254 V256 L261V165-L183 HydrophobicContact CG1-CD2 4.42Å; V165-W188 HydrophobicContact CG1-CH2 3.73Å; V165-W188 HydrophobicContact CG1-CZ3 4.3Å; V165-W188 HydrophobicContact CG2-CH2 4.08Å; V165-L205 HydrophobicContact CG2-CD2 3.63Å; V165-I234 HydrophobicContact CG1-CD1 4.42Å; V165-S235 CarbonylContact C-O 3.56Å; V165-S235 VanDerWaalsContact CA-O 3.28Å; V165-S235 WeakPolarHBondContact CA-O 2.79Å; V165-C236 HydrophobicContact CG2-CB 4.09Å; V165-V254 HydrophobicContact CB-CB 4.27Å; V165-V254 HydrophobicContact CG1-CB 3.94Å; V165-V254 HydrophobicContact CG1-CG1 4.37Å; V165-V254 HydrophobicContact CG1-CG2 4.32Å; V165-V254 PolarHBondContact O-N 3.09Å; V165-V256 HydrophobicContact CB-CG1 3.71Å; V165-V256 HydrophobicContact CG1-CG1 4.19Å; V165-V256 HydrophobicContact CG2-CG1 3.67Å; V165-L261 HydrophobicContact CG2-CD1 4.1Å
166F98.8Very high96.6Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-141.2156.2-175.866.5-83.3000112.3V164 I224 V228 I234 S235 L237 I242 L251 S252V164-F166 WeakPolarHBondContact O-CD1 3.49Å; F166-I224 HydrophobicContact CZ-CG2 4Å; F166-V228 HydrophobicContact CD2-CB 4.16Å; F166-V228 HydrophobicContact CD2-CG1 3.58Å; F166-V228 HydrophobicContact CD2-CG2 4.44Å; F166-V228 HydrophobicContact CE2-CB 3.67Å; F166-V228 HydrophobicContact CE2-CG1 3.63Å; F166-V228 HydrophobicContact CE2-CG2 3.76Å; F166-V228 HydrophobicContact CZ-CG2 4.26Å; F166-I234 WeakPolarHBondContact O-CA 3.41Å; F166-S235 WeakPolarHBondContact CD1-O 3.47Å; F166-S235 PolarHBondContact N-O 3.27Å; F166-S235 PolarHBondContact O-N 3.17Å; F166-S235 VanDerWaalsContact O-N 3.14Å; F166-L237 HydrophobicContact CE1-CB 3.79Å; F166-L237 HydrophobicContact CE1-CD1 3.83Å; F166-L237 HydrophobicContact CE1-CG 3.7Å; F166-L237 HydrophobicContact CZ-CB 4.49Å; F166-L237 HydrophobicContact CZ-CD1 3.68Å; F166-L237 HydrophobicContact CZ-CG 4.03Å; F166-I242 HydrophobicContact CB-CD1 3.98Å; F166-I242 HydrophobicContact CD1-CD1 3.72Å; F166-I242 HydrophobicContact CD1-CG2 4.3Å; F166-I242 HydrophobicContact CE1-CD1 4.42Å; F166-I242 HydrophobicContact CE1-CG2 4.02Å; F166-I242 HydrophobicContact CE2-CG2 4.49Å; F166-I242 HydrophobicContact CG-CD1 3.92Å; F166-I242 HydrophobicContact CZ-CG2 4.11Å; F166-L251 HydrophobicContact CD2-CB 4.34Å; F166-L251 HydrophobicContact CD2-CD1 3.63Å; F166-L251 HydrophobicContact CD2-CD2 3.96Å; F166-L251 HydrophobicContact CD2-CG 4.19Å; F166-L251 HydrophobicContact CE2-CD1 3.66Å; F166-L251 HydrophobicContact CE2-CD2 4.26Å; F166-S252 CarbonylContact C-O 3.35Å; F166-S252 VanDerWaalsContact CA-O 3.23Å; F166-S252 WeakPolarHBondContact CA-O 3.31Å; F166-S252 WeakPolarHBondContact CB-O 3.48Å
167A98.7Very high96.7Very high0 Ų045.1 Ų45.10%026%0.258CS..EExtended strand (participates in β ladder)trans-138.417118000000110.7I234 S252 V254A167-I234 HydrophobicContact CB-CG2 3.66Å; A167-S252 PolarHBondContact N-O 3.49Å; A167-S252 PolarHBondContact O-N 3.09Å; A167-V254 HydrophobicContact CB-CG2 3.77Å
168A98.4Very high96.7Very high4 Ų441.6 Ų41.63%0.03324%0.235CC..  trans-60.2146.7161.300000110.5T170 S171 V228A168-T170 PolarHBondContact O-N 2.79Å; A168-T170 VanDerWaalsContact O-N 3.09Å; A168-S171 WeakPolarHBondContact O-CB 3.44Å; A168-S171 PolarHBondContact O-N 2.8Å; A168-V228 WeakPolarHBondContact CB-O 3.47Å
169P97.7Very high96.8Very high57 Ų5744 Ų4437%0.3725%0.251SS..THydrogen-bonded Turntrans-58.6-25178-23.431.6000114.4S171 G249 T250 S252P169-S171 VanDerWaalsContact C-N 3.3Å; P169-G249 WeakPolarHBondContact CG-O 3.35Å; P169-T250 WeakPolarHBondContact CD-O 3.31Å; P169-S252 WeakPolarHBondContact CA-OG 3.16Å
170T96.2Very high96.8Very high114 Ų11445.5 Ų45.570%0.69926%0.259SS*.THydrogen-bonded Turntrans-79.5-11.2178530000113.5A168A168-T170 PolarHBondContact O-N 2.79Å; A168-T170 VanDerWaalsContact O-N 3.09Å
171S97.5Very high96.8Very high22 Ų2246.8 Ų46.815%0.15427%0.265CS..SBendtrans-63138.6-178.6-179.90000111.5A168 P169 L173 A174A168-S171 WeakPolarHBondContact O-CB 3.44Å; A168-S171 PolarHBondContact O-N 2.8Å; P169-S171 VanDerWaalsContact C-N 3.3Å; S171-L173 PolarHBondContact O-N 3.37Å; S171-L173 PolarHBondContact OG-N 3.48Å; S171-A174 PolarHBondContact O-N 3.11Å; S171-A174 VanDerWaalsContact O-N 3.09Å
172P95.7Very high96.7Very high96 Ų9651 Ų5162%0.62329%0.285SS*.G310 helixtrans-55.1-29.9169.7-25.535.1000113.4A174 R175P172-A174 VanDerWaalsContact C-N 3.25Å; P172-A174 PolarHBondContact O-N 3.26Å; P172-R175 PolarHBondContact O-N 3.24Å
173L96.9Very high96.7Very high19 Ų1949.9 Ų49.910%0.09928%0.279CS..G310 helixtrans-73.4-14.6-179.7-58.5177.3000113.5S171 R175 V178 Q182 A186 I234 V254S171-L173 PolarHBondContact O-N 3.37Å; S171-L173 PolarHBondContact OG-N 3.48Å; L173-R175 VanDerWaalsContact C-N 3.34Å; L173-V178 HydrophobicContact CB-CG1 4.06Å; L173-V178 HydrophobicContact CD2-CB 4.3Å; L173-V178 HydrophobicContact CD2-CG1 3.71Å; L173-V178 HydrophobicContact CG-CG1 4.49Å; L173-Q182 HydrophobicContact CD2-CB 3.9Å; L173-A186 HydrophobicContact CD1-CB 3.7Å; L173-I234 HydrophobicContact CD1-CD1 3.95Å; L173-I234 HydrophobicContact CD1-CG2 3.81Å; L173-V254 HydrophobicContact CB-CG1 4.25Å; L173-V254 HydrophobicContact CB-CG2 4.24Å
174A94.6Very high96.6Very high28 Ų2850.6 Ų50.623%0.23129%0.286CS..G310 helixtrans-86.8-2.217800000113.3S171 P172S171-A174 PolarHBondContact O-N 3.11Å; S171-A174 VanDerWaalsContact O-N 3.09Å; P172-A174 VanDerWaalsContact C-N 3.25Å; P172-A174 PolarHBondContact O-N 3.26Å
175R92.5Very high96.5Very high199 Ų19954.1 Ų54.175%0.75132%0.315SS*.SBendtrans-89.6-6.4-171.3-61.2-178.7-173.1170.73114.7P172 L173P172-R175 PolarHBondContact O-N 3.24Å; L173-R175 VanDerWaalsContact C-N 3.34Å
176G93.5Very high96.4Very high31 Ų3154.3 Ų54.332%0.3232%0.318SS..SBendtrans164.2-170.6-177.800000112.4
177P96.3Very high96.4Very high119 Ų11956.5 Ų56.577%0.77333%0.332SS*.BIsolated β-bridgetrans-57.3137.1174.9-22.834.1000111.8
178V97.2Very high96.4Very high10 Ų1056.5 Ų56.56%0.06133%0.332CS..  trans-111.9159.9-180-58.50000111.5L173 Q182 L183 V254 A255 P257L173-V178 HydrophobicContact CB-CG1 4.06Å; L173-V178 HydrophobicContact CD2-CB 4.3Å; L173-V178 HydrophobicContact CD2-CG1 3.71Å; L173-V178 HydrophobicContact CG-CG1 4.49Å; V178-Q182 VanDerWaalsContact CA-OE1 3.27Å; V178-Q182 HydrophobicContact CB-CB 4.41Å; V178-L183 HydrophobicContact CG2-CD1 4Å; V178-L183 HydrophobicContact CG2-CD2 3.79Å; V178-L183 HydrophobicContact CG2-CG 3.69Å; V178-V254 HydrophobicContact CG1-CG1 4.04Å; V178-V254 HydrophobicContact CG2-CG1 3.68Å; V178-A255 WeakPolarHBondContact CG2-O 3.33Å; V178-A255 PolarHBondContact N-O 3.39Å; V178-P257 VanDerWaalsContact O-CD 3.26Å; V178-P257 WeakPolarHBondContact O-CD 3.33Å; V178-P257 VanDerWaalsContact O-CG 3.3Å; V178-P257 WeakPolarHBondContact O-CG 3.38Å
179T96.4Very high96.4Very high61 Ų6156.3 Ų56.337%0.37433%0.33SS..  trans-91.8163.4171.282.70000111.7E181 Q182 L183T179-E181 WeakPolarHBondContact CB-OE2 3.41Å; T179-E181 PolarHBondContact O-N 3.29Å; T179-E181 PolarHBondContact OG1-N 2.83Å; T179-E181 PolarHBondContact OG1-OE2 3.45Å; T179-Q182 PolarHBondContact O-N 3.24Å; T179-Q182 PolarHBondContact OG1-N 2.91Å; T179-L183 PolarHBondContact O-N 2.92Å; T179-L183 VanDerWaalsContact O-N 3.09Å
180L96.3Very high96.4Very high49 Ų4953.8 Ų53.826%0.25731%0.313SS..Hα-helixtrans-62.4-33.9174.2-67.6177.9000111.5L183 A184 H208 L209 P257 L258L180-L183 HydrophobicContact CD2-CD1 4.44Å; L180-L183 PolarHBondContact O-N 3.37Å; L180-A184 WeakPolarHBondContact O-CB 3.35Å; L180-A184 PolarHBondContact O-N 3.38Å; L180-H208 HydrophobicContact CD1-CB 4.36Å; L180-H208 HydrophobicContact CD2-CB 4.3Å; L180-L209 HydrophobicContact CB-CD2 3.98Å; L180-L209 HydrophobicContact CD2-CD2 3.9Å; L180-L209 VanDerWaalsContact O-CD2 3.27Å; L180-L209 WeakPolarHBondContact O-CD2 3.3Å; L180-P257 HydrophobicContact CD2-CG 3.79Å; L180-P257 HydrophobicContact CG-CG 3.89Å; L180-L258 HydrophobicContact CD2-CD1 4.24Å; L180-L258 HydrophobicContact CD2-CD2 4.34Å; L180-L258 HydrophobicContact CD2-CG 4.17Å
181E95.7Very high96.5Very high134 Ų13448.5 Ų48.563%0.62628%0.281SS*.Hα-helixtrans-66-41.1176.4-58.873.9-162.100111.5T179 L183 A184 A185T179-E181 WeakPolarHBondContact CB-OE2 3.41Å; T179-E181 PolarHBondContact O-N 3.29Å; T179-E181 PolarHBondContact OG1-N 2.83Å; T179-E181 PolarHBondContact OG1-OE2 3.45Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-A184 PolarHBondContact O-N 2.98Å; E181-A185 WeakPolarHBondContact O-CB 3.41Å; E181-A185 PolarHBondContact O-N 2.93Å
182Q96.4Very high96.4Very high94 Ų9448.9 Ų48.944%0.43928%0.28SS..Hα-helixtrans-64-39.2175.2-70.3177.3-47.700111.8L173 V178 T179 A186L173-Q182 HydrophobicContact CD2-CB 3.9Å; V178-Q182 VanDerWaalsContact CA-OE1 3.27Å; V178-Q182 HydrophobicContact CB-CB 4.41Å; T179-Q182 PolarHBondContact O-N 3.24Å; T179-Q182 PolarHBondContact OG1-N 2.91Å; Q182-A186 PolarHBondContact O-N 3.11Å
183L97.2Very high96.4Very high0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-66.8-42.5174.1-72.2173.3000112.2V165 V178 T179 L180 E181 A185 A186 W188 L209 I234 V254 V256V165-L183 HydrophobicContact CG1-CD2 4.42Å; V178-L183 HydrophobicContact CG2-CD1 4Å; V178-L183 HydrophobicContact CG2-CD2 3.79Å; V178-L183 HydrophobicContact CG2-CG 3.69Å; T179-L183 PolarHBondContact O-N 2.92Å; T179-L183 VanDerWaalsContact O-N 3.09Å; L180-L183 HydrophobicContact CD2-CD1 4.44Å; L180-L183 PolarHBondContact O-N 3.37Å; E181-L183 VanDerWaalsContact C-N 3.33Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.27Å; L183-A186 PolarHBondContact O-N 3.27Å; L183-W188 HydrophobicContact CB-CZ2 4.4Å; L183-W188 HydrophobicContact CD2-CZ2 4.24Å; L183-W188 PolarHBondContact O-NE1 3.22Å; L183-L209 HydrophobicContact CB-CD1 4.03Å; L183-L209 HydrophobicContact CB-CD2 4.05Å; L183-I234 HydrophobicContact CD2-CD1 3.87Å; L183-V254 HydrophobicContact CD2-CG1 4.12Å; L183-V256 HydrophobicContact CD1-CB 4.17Å; L183-V256 HydrophobicContact CD1-CG1 3.84Å; L183-V256 HydrophobicContact CD2-CG1 4.32Å
184A96.3Very high96.2Very high20 Ų2054 Ų5417%0.16530%0.296CS..Hα-helixtrans-66.2-35.3179.300000112.4L180 E181 A186 L209 F212 E213L180-A184 WeakPolarHBondContact O-CB 3.35Å; L180-A184 PolarHBondContact O-N 3.38Å; E181-A184 PolarHBondContact O-N 2.98Å; A184-A186 VanDerWaalsContact C-N 3.27Å; A184-A186 PolarHBondContact O-N 3.22Å; A184-L209 HydrophobicContact CB-CB 4.43Å; A184-L209 HydrophobicContact CB-CD2 4.2Å; A184-F212 WeakPolarHBondContact O-CA 3.49Å; A184-E213 PolarHBondContact O-N 3.11Å
185A96.1Very high96.2Very high76 Ų7652.9 Ų52.963%0.62829%0.286SS*.THydrogen-bonded Turntrans-78.2-7.7178.400000114E181 L183E181-A185 WeakPolarHBondContact O-CB 3.41Å; E181-A185 PolarHBondContact O-N 2.93Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.27Å
186A97.2Very high96.2Very high8 Ų843.4 Ų43.47%0.06625%0.25CC..SBendtrans-84.7145.4178.100000111.1L173 Q182 L183 A184 W188 I234L173-A186 HydrophobicContact CD1-CB 3.7Å; Q182-A186 PolarHBondContact O-N 3.11Å; L183-A186 PolarHBondContact O-N 3.27Å; A184-A186 VanDerWaalsContact C-N 3.27Å; A184-A186 PolarHBondContact O-N 3.22Å; A186-W188 PolarHBondContact O-N 3.27Å; A186-I234 HydrophobicContact CB-CD1 3.6Å; A186-I234 HydrophobicContact CB-CG1 3.94Å
187P97.9Very high96.3Very high46 Ų4642 Ų4230%0.29924%0.235SC..EExtended strand (participates in β ladder)trans-69.6118.1173.123-26.6000109.9A215 G233 I234P187-A215 HydrophobicContact CB-CB 3.6Å; P187-G233 CarbonylContact O-C 3.5Å; P187-G233 WeakPolarHBondContact O-CA 3.37Å; P187-I234 PolarHBondContact O-N 3.47Å
188W98.5Very high96.3Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-88.9140177.7-77.684000111.4V165 L183 A186 L190 L205 L209 F212 E213 M214 A215 M216 I234 C236V165-W188 HydrophobicContact CG1-CH2 3.73Å; V165-W188 HydrophobicContact CG1-CZ3 4.3Å; V165-W188 HydrophobicContact CG2-CH2 4.08Å; L183-W188 HydrophobicContact CB-CZ2 4.4Å; L183-W188 HydrophobicContact CD2-CZ2 4.24Å; L183-W188 PolarHBondContact O-NE1 3.22Å; A186-W188 PolarHBondContact O-N 3.27Å; W188-L190 HydrophobicContact CB-CG 4.33Å; W188-L190 HydrophobicContact CE3-CD2 3.79Å; W188-L190 HydrophobicContact CZ3-CD2 4.45Å; W188-L205 HydrophobicContact CH2-CD2 3.53Å; W188-L205 HydrophobicContact CH2-CG 4.44Å; W188-L205 HydrophobicContact CZ2-CD2 4.3Å; W188-L205 HydrophobicContact CZ3-CD2 3.97Å; W188-L209 HydrophobicContact CZ2-CD1 3.89Å; W188-F212 HydrophobicContact CB-CD2 4.08Å; W188-F212 HydrophobicContact CB-CE2 4.45Å; W188-F212 AromaticContact CD1-CD2 3.88Å; W188-F212 HydrophobicContact CG-CD2 4.03Å; W188-E213 WeakPolarHBondContact CB-O 3.3Å; W188-E213 PolarHBondContact N-O 3.02Å; W188-M214 VanDerWaalsContact C-CE 3.5Å; W188-M214 HydrophobicContact CB-CE 3.66Å; W188-M214 WeakPolarHBondContact O-CE 3.27Å; W188-A215 WeakPolarHBondContact O-CA 3.01Å; W188-A215 WeakPolarHBondContact O-CB 3.25Å; W188-A215 PolarHBondContact O-N 3.08Å; W188-M216 PolarHBondContact O-N 2.74Å; W188-I234 CarbonylContact C-O 3.5Å; W188-I234 WeakPolarHBondContact CA-O 3.42Å; W188-I234 HydrophobicContact CD2-CD1 4.18Å; W188-I234 HydrophobicContact CD2-CG1 3.96Å; W188-I234 HydrophobicContact CE3-CG1 4.17Å; W188-I234 HydrophobicContact CG-CG1 4.41Å; W188-I234 HydrophobicContact CH2-CD1 3.85Å; W188-I234 HydrophobicContact CH2-CG1 4.28Å; W188-I234 HydrophobicContact CZ2-CD1 3.45Å; W188-I234 VanDerWaalsContact CZ2-CD1 3.45Å; W188-I234 HydrophobicContact CZ2-CG1 4.12Å; W188-I234 HydrophobicContact CZ3-CD1 4.39Å; W188-I234 HydrophobicContact CZ3-CG1 4.33Å; W188-C236 HydrophobicContact CZ3-CB 4.12Å
189I98.6Very high96.2Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-118.5117.6169.3-52.2177.4000106.1M216 L218 I224 A227 V228 L232 I234 S235I189-M216 WeakPolarHBondContact CA-O 3.4Å; I189-M216 HydrophobicContact CB-CB 4.39Å; I189-M216 HydrophobicContact CD1-SD 4.25Å; I189-M216 HydrophobicContact CG1-CB 4.2Å; I189-M216 HydrophobicContact CG1-CG 4.46Å; I189-M216 HydrophobicContact CG2-CB 3.87Å; I189-L218 HydrophobicContact CG2-CD1 3.67Å; I189-L218 HydrophobicContact CG2-CG 4.16Å; I189-I224 HydrophobicContact CG2-CB 4.49Å; I189-I224 HydrophobicContact CG2-CG1 4.09Å; I189-I224 HydrophobicContact CG2-CG2 4.27Å; I189-A227 HydrophobicContact CD1-CB 3.63Å; I189-V228 HydrophobicContact CD1-CG2 4.16Å; I189-L232 HydrophobicContact CD1-CB 3.86Å; I189-I234 PolarHBondContact N-O 2.81Å; I189-S235 WeakPolarHBondContact O-CB 3.34Å; I189-S235 PolarHBondContact O-OG 2.64Å
190L98.3Very high96.2Very high3 Ų338.5 Ų38.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-122.7161.1-171.8-66177.1000111.7W188 V201 L206 F212 M214 M216 E217 L218W188-L190 HydrophobicContact CB-CG 4.33Å; W188-L190 HydrophobicContact CE3-CD2 3.79Å; W188-L190 HydrophobicContact CZ3-CD2 4.45Å; L190-V201 HydrophobicContact CD2-CG1 4.01Å; L190-L206 HydrophobicContact CD1-CD1 3.51Å; L190-F212 HydrophobicContact CD1-CE2 4.02Å; L190-F212 HydrophobicContact CD1-CZ 4.41Å; L190-M214 HydrophobicContact CB-CE 3.9Å; L190-M214 HydrophobicContact CB-SD 4.24Å; L190-M214 HydrophobicContact CD1-CE 3.59Å; L190-M214 HydrophobicContact CD1-SD 3.75Å; L190-M214 HydrophobicContact CG-CE 3.54Å; L190-M214 HydrophobicContact CG-SD 4.19Å; L190-M216 PolarHBondContact N-O 3.06Å; L190-E217 WeakPolarHBondContact O-CA 3.33Å; L190-L218 PolarHBondContact O-N 3.42Å
191R97.3Very high96.2Very high4 Ų436.2 Ų36.22%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-65.3153.8168.1-72.4-67.7-58-83.50.3111.2S97 S195 T197 R198 L218 S221 I224 L237S97-R191 PolarHBondContact OG-NH2 3.5Å; R191-S195 WeakPolarHBondContact CB-OG 3.25Å; R191-T197 HydrophobicContact CG-CG2 4.26Å; R191-R198 HydrophobicContact CB-CB 4.22Å; R191-R198 WeakPolarHBondContact O-CD 3.3Å; R191-R198 PolarHBondContact O-NH1 3.5Å; R191-L218 WeakPolarHBondContact CA-O 3.31Å; R191-S221 PolarHBondContact NH1-OG 3.36Å; R191-I224 HydrophobicContact CB-CD1 4.47Å; R191-I224 VanDerWaalsContact CD-CD1 3.43Å; R191-I224 HydrophobicContact CG-CD1 3.74Å; R191-L237 HydrophobicContact CG-CD2 3.93Å
192E96.3Very high96.2Very high29 Ų2932.7 Ų32.714%0.13618%0.177CC..PPolyproline II helixtrans-58.2151.3172.877.8-68.6177.100112.6N126 S195 R198 E217 L218 G219N126-E192 WeakPolarHBondContact CB-OE1 3.41Å; E192-S195 WeakPolarHBondContact O-CB 3.44Å; E192-S195 PolarHBondContact O-N 3.2Å; E192-S195 PolarHBondContact O-OG 3.33Å; E192-R198 WeakPolarHBondContact O-CB 3.44Å; E192-E217 WeakPolarHBondContact CA-OE1 3.46Å; E192-E217 HydrophobicContact CB-CG 4.33Å; E192-L218 PolarHBondContact N-O 2.85Å; E192-L218 VanDerWaalsContact OE2-O 3.08Å; E192-G219 WeakPolarHBondContact OE2-CA 3.5Å
193R94.4Very high96.1Very high192 Ų19236.6 Ų36.673%0.72519%0.189SC*.THydrogen-bonded Turntrans-59.3141.8169-66.4-176.5174.9-177.2-1.7110.7E217R193-E217 PolarHBondContact N-OE1 3.34Å
194G92.3Very high96Very high32 Ų3238.9 Ų38.933%0.3320%0.201SC..THydrogen-bonded Turntrans93-12.6-172.800000113.9N126 S127 Q128N126-G194 PolarHBondContact OD1-O 3.32Å; S127-G194 PolarHBondContact N-O 2.79Å; Q128-G194 PolarHBondContact N-O 3.06Å
195S94.6Very high96Very high3 Ų337.9 Ų37.92%0.02119%0.193CC..  trans-78.3138.6167.672.60000111.7R191 E192 T197 R198 E199R191-S195 WeakPolarHBondContact CB-OG 3.25Å; E192-S195 WeakPolarHBondContact O-CB 3.44Å; E192-S195 PolarHBondContact O-N 3.2Å; E192-S195 PolarHBondContact O-OG 3.33Å; S195-T197 VanDerWaalsContact C-N 3.28Å; S195-T197 PolarHBondContact O-N 3.12Å; S195-R198 PolarHBondContact O-N 2.65Å; S195-R198 VanDerWaalsContact O-N 3.16Å; S195-R198 WeakPolarHBondContact OG-CB 3.4Å; S195-R198 PolarHBondContact OG-N 2.85Å; S195-R198 VanDerWaalsContact OG-N 3.13Å; S195-E199 PolarHBondContact O-N 3.01Å
196G93.6Very high96Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-63.5-34.2174.800000112.3S127 R198 E199 I200S127-G196 WeakPolarHBondContact OG-CA 3.46Å; S127-G196 PolarHBondContact OG-N 3.43Å; S127-G196 VanDerWaalsContact OG-N 3.13Å; G196-R198 PolarHBondContact O-N 2.87Å; G196-E199 PolarHBondContact O-N 3.18Å; G196-I200 VanDerWaalsContact O-CG1 3.31Å; G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 3.25Å
197T95.5Very high95.9Very high2 Ų237.9 Ų37.91%0.01219%0.187CC..Hα-helixtrans-56.9-47.9171.1-54.70000111.7E145 L163 R191 S195 E199 I200 V201 L237 R263E145-T197 PolarHBondContact OE2-OG1 3.37Å; L163-T197 HydrophobicContact CD2-CG2 4.24Å; R191-T197 HydrophobicContact CG-CG2 4.26Å; S195-T197 VanDerWaalsContact C-N 3.28Å; S195-T197 PolarHBondContact O-N 3.12Å; T197-E199 PolarHBondContact O-N 2.95Å; T197-I200 PolarHBondContact O-N 3.45Å; T197-V201 HydrophobicContact CG2-CG2 4Å; T197-V201 VanDerWaalsContact O-CB 3.32Å; T197-V201 WeakPolarHBondContact O-CB 3.38Å; T197-V201 WeakPolarHBondContact O-CG2 3.41Å; T197-V201 PolarHBondContact O-N 2.92Å; T197-L237 HydrophobicContact CG2-CD2 4.22Å; T197-R263 PolarHBondContact OG1-NH1 2.9Å
198R95.9Very high95.9Very high18 Ų1840.4 Ų40.47%0.06819%0.194CC..Hα-helixtrans-60.5-47.4-178.5178.456.4178.2-85.41.3111.3R191 E192 S195 G196 I200 V201 D202 E217R191-R198 HydrophobicContact CB-CB 4.22Å; R191-R198 WeakPolarHBondContact O-CD 3.3Å; R191-R198 PolarHBondContact O-NH1 3.5Å; E192-R198 WeakPolarHBondContact O-CB 3.44Å; S195-R198 PolarHBondContact O-N 2.65Å; S195-R198 VanDerWaalsContact O-N 3.16Å; S195-R198 WeakPolarHBondContact OG-CB 3.4Å; S195-R198 PolarHBondContact OG-N 2.85Å; S195-R198 VanDerWaalsContact OG-N 3.13Å; G196-R198 PolarHBondContact O-N 2.87Å; R198-I200 PolarHBondContact O-N 3.13Å; R198-V201 PolarHBondContact O-N 3.45Å; R198-D202 VanDerWaalsContact CD-OD1 3.29Å; R198-D202 WeakPolarHBondContact CD-OD1 3.33Å; R198-D202 IonicContact CZ-OD1 2.69Å; R198-D202 IonicContact NE-OD1 3.85Å; R198-D202 PolarHBondContact NE-OD1 3.42Å; R198-D202 IonicContact NE-OD2 3.95Å; R198-D202 PolarHBondContact NE-OD2 3.01Å; R198-D202 WeakPolarHBondContact O-CB 3.4Å; R198-D202 VanDerWaalsContact O-CG 3.22Å; R198-D202 PolarHBondContact O-N 3.18Å; R198-E217 IonicContact CZ-OE2 2.65Å; R198-E217 IonicContact NH1-OE2 3.72Å; R198-E217 PolarHBondContact NH1-OE2 3.01Å; R198-E217 IonicContact NH2-OE2 2.8Å
199E94.7Very high95.7Very high76 Ų7640.5 Ų40.536%0.35520%0.195SC..Hα-helixtrans-58.9-47.1179.4-174.9177.6178.200112.5H149 S195 G196 T197 D202 Y203H149-E199 IonicContact NE2-OE1 3.31Å; S195-E199 PolarHBondContact O-N 3.01Å; G196-E199 PolarHBondContact O-N 3.18Å; T197-E199 PolarHBondContact O-N 2.95Å; E199-D202 PolarHBondContact O-N 3.35Å; E199-Y203 PolarHBondContact O-N 3.43Å; E199-Y203 VanDerWaalsContact O-N 3.12Å
200I96Very high95.2Very high22 Ų2246 Ų4611%0.11323%0.231CC..Hα-helixtrans-68.6-39.1179-62.9-61000111.8L163 G196 T197 R198 Y203 L204 R263L163-I200 HydrophobicContact CD1-CB 4.15Å; L163-I200 HydrophobicContact CD1-CG2 3.55Å; G196-I200 VanDerWaalsContact O-CG1 3.31Å; G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 3.25Å; T197-I200 PolarHBondContact O-N 3.45Å; R198-I200 PolarHBondContact O-N 3.13Å; I200-Y203 PolarHBondContact O-N 3.09Å; I200-L204 HydrophobicContact CG2-CD1 3.49Å; I200-L204 VanDerWaalsContact CG2-CD1 3.49Å; I200-L204 HydrophobicContact CG2-CG 3.98Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 PolarHBondContact O-N 2.78Å; I200-R263 HydrophobicContact CG1-CB 4.36Å; I200-R263 HydrophobicContact CG2-CB 4Å
201V96.7Very high94.8Very high2 Ų255 Ų551%0.01227%0.27CS..Hα-helixtrans-64.9-42.4176.5168.30000111L163 L190 T197 R198 Y203 L205 L206 C236L163-V201 HydrophobicContact CD1-CG2 3.92Å; L190-V201 HydrophobicContact CD2-CG1 4.01Å; T197-V201 HydrophobicContact CG2-CG2 4Å; T197-V201 VanDerWaalsContact O-CB 3.32Å; T197-V201 WeakPolarHBondContact O-CB 3.38Å; T197-V201 WeakPolarHBondContact O-CG2 3.41Å; T197-V201 PolarHBondContact O-N 2.92Å; R198-V201 PolarHBondContact O-N 3.45Å; V201-Y203 VanDerWaalsContact C-N 3.27Å; V201-Y203 PolarHBondContact O-N 2.88Å; V201-L205 HydrophobicContact CG1-CB 4.42Å; V201-L205 HydrophobicContact CG1-CD2 4.29Å; V201-L205 WeakPolarHBondContact O-CA 3.34Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 PolarHBondContact O-N 3.48Å; V201-L206 HydrophobicContact CG1-CD1 4.27Å; V201-L206 HydrophobicContact CG1-CD2 4.37Å; V201-L206 HydrophobicContact CG1-CG 3.99Å; V201-L206 PolarHBondContact O-N 3.07Å; V201-C236 HydrophobicContact CG1-CB 4.27Å; V201-C236 HydrophobicContact CG2-CB 3.82Å
202D95.4Very high94.7Very high60 Ų6057.5 Ų57.532%0.32128%0.281SS..Hα-helixtrans-57.5-44175.5-74.20.8000110.4R198 E199 L206 S207R198-D202 VanDerWaalsContact CD-OD1 3.29Å; R198-D202 WeakPolarHBondContact CD-OD1 3.33Å; R198-D202 IonicContact CZ-OD1 2.69Å; R198-D202 IonicContact NE-OD1 3.85Å; R198-D202 PolarHBondContact NE-OD1 3.42Å; R198-D202 IonicContact NE-OD2 3.95Å; R198-D202 PolarHBondContact NE-OD2 3.01Å; R198-D202 WeakPolarHBondContact O-CB 3.4Å; R198-D202 VanDerWaalsContact O-CG 3.22Å; R198-D202 PolarHBondContact O-N 3.18Å; E199-D202 PolarHBondContact O-N 3.35Å; D202-L206 WeakPolarHBondContact OD1-CD1 3.46Å; D202-S207 PolarHBondContact O-N 3.11Å
203Y94.9Very high94.6Very high175 Ų17561.3 Ų61.369%0.68630%0.299SS*.Hα-helixtrans-74-51.4-178.5-179.5-108.8000114.2E199 I200 V201 S207E199-Y203 PolarHBondContact O-N 3.43Å; E199-Y203 VanDerWaalsContact O-N 3.12Å; I200-Y203 PolarHBondContact O-N 3.09Å; V201-Y203 VanDerWaalsContact C-N 3.27Å; V201-Y203 PolarHBondContact O-N 2.88Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; Y203-S207 PolarHBondContact O-OG 3.31Å
204L95.7Very high94.7Very high48 Ų4855.6 Ų55.625%0.25128%0.281SS..Hα-helixtrans-84.3-22.5-172-65-177.8000114.1I200 L261 M262I200-L204 HydrophobicContact CG2-CD1 3.49Å; I200-L204 VanDerWaalsContact CG2-CD1 3.49Å; I200-L204 HydrophobicContact CG2-CG 3.98Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 PolarHBondContact O-N 2.78Å; L204-L261 HydrophobicContact CB-CD2 4.06Å; L204-M262 VanDerWaalsContact CD1-O 3.31Å; L204-M262 WeakPolarHBondContact CD1-O 3.4Å
205L96.7Very high95Very high0 Ų056.3 Ų56.30%028%0.284CS..THydrogen-bonded Turntrans-124.9-57.7-171.5178.960.8000112.4V165 W188 V201 S207 H208 L209 C236 L258 L261V165-L205 HydrophobicContact CG2-CD2 3.63Å; W188-L205 HydrophobicContact CH2-CD2 3.53Å; W188-L205 HydrophobicContact CH2-CG 4.44Å; W188-L205 HydrophobicContact CZ2-CD2 4.3Å; W188-L205 HydrophobicContact CZ3-CD2 3.97Å; V201-L205 HydrophobicContact CG1-CB 4.42Å; V201-L205 HydrophobicContact CG1-CD2 4.29Å; V201-L205 WeakPolarHBondContact O-CA 3.34Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 PolarHBondContact O-N 3.48Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 3.24Å; L205-H208 WeakPolarHBondContact O-CB 3.28Å; L205-H208 PolarHBondContact O-N 3.23Å; L205-L209 HydrophobicContact CD1-CD1 4.28Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L205-C236 HydrophobicContact CD2-CB 4.11Å; L205-L258 HydrophobicContact CD1-CD1 3.55Å; L205-L261 HydrophobicContact CB-CD1 4.39Å; L205-L261 HydrophobicContact CD2-CD1 4.14Å
206L95.3Very high95.1Very high12 Ų1259.6 Ų59.66%0.06330%0.3CS..G310 helixtrans-71.9-21-172.4-52.8-176.4000113.1L190 V201 D202 H208 L209 F212L190-L206 HydrophobicContact CD1-CD1 3.51Å; V201-L206 HydrophobicContact CG1-CD1 4.27Å; V201-L206 HydrophobicContact CG1-CD2 4.37Å; V201-L206 HydrophobicContact CG1-CG 3.99Å; V201-L206 PolarHBondContact O-N 3.07Å; D202-L206 WeakPolarHBondContact OD1-CD1 3.46Å; L206-H208 PolarHBondContact O-N 3.17Å; L206-L209 HydrophobicContact CD2-CD1 4.2Å; L206-L209 CarbonylContact O-C 3.47Å; L206-L209 WeakPolarHBondContact O-CA 3.22Å; L206-L209 PolarHBondContact O-N 3.15Å; L206-F212 HydrophobicContact CB-CD1 4.43Å; L206-F212 HydrophobicContact CB-CE1 4.35Å; L206-F212 HydrophobicContact CD1-CD1 4.46Å; L206-F212 HydrophobicContact CD1-CE1 3.92Å; L206-F212 HydrophobicContact CD1-CE2 4.16Å; L206-F212 HydrophobicContact CD1-CZ 3.75Å; L206-F212 HydrophobicContact CD2-CD1 4.4Å; L206-F212 HydrophobicContact CD2-CD2 4.44Å; L206-F212 HydrophobicContact CD2-CG 4.3Å
207S95.8Very high95.3Very high72 Ų7264 Ų6450%0.50332%0.321SS..G310 helixtrans-57.4-25.8169.164.40000113D202 Y203 L205D202-S207 PolarHBondContact O-N 3.11Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; Y203-S207 PolarHBondContact O-OG 3.31Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 3.24Å
208H96.6Very high95.4Very high98 Ų9865.6 Ų65.645%0.45433%0.329SS..G310 helixtrans-89.1-5.8173.3-61.6-72.7000113.6L180 L205 L206 P210 L258L180-H208 HydrophobicContact CD1-CB 4.36Å; L180-H208 HydrophobicContact CD2-CB 4.3Å; L205-H208 WeakPolarHBondContact O-CB 3.28Å; L205-H208 PolarHBondContact O-N 3.23Å; L206-H208 PolarHBondContact O-N 3.17Å; H208-P210 VanDerWaalsContact C-CD 3.47Å; H208-P210 WeakPolarHBondContact O-CD 3.42Å; H208-L258 HydrophobicContact CB-CD1 4.45Å
209L95.5Very high95.2Very high2 Ų267.2 Ų67.21%0.0135%0.351CS..  trans-124.961.9-174.5-52.9179.1000111.2L180 L183 A184 W188 L205 L206 K211 F212L180-L209 HydrophobicContact CB-CD2 3.98Å; L180-L209 HydrophobicContact CD2-CD2 3.9Å; L180-L209 VanDerWaalsContact O-CD2 3.27Å; L180-L209 WeakPolarHBondContact O-CD2 3.3Å; L183-L209 HydrophobicContact CB-CD1 4.03Å; L183-L209 HydrophobicContact CB-CD2 4.05Å; A184-L209 HydrophobicContact CB-CB 4.43Å; A184-L209 HydrophobicContact CB-CD2 4.2Å; W188-L209 HydrophobicContact CZ2-CD1 3.89Å; L205-L209 HydrophobicContact CD1-CD1 4.28Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L206-L209 HydrophobicContact CD2-CD1 4.2Å; L206-L209 CarbonylContact O-C 3.47Å; L206-L209 WeakPolarHBondContact O-CA 3.22Å; L206-L209 PolarHBondContact O-N 3.15Å; L209-K211 PolarHBondContact O-N 3.43Å; L209-F212 HydrophobicContact CB-CB 4.04Å; L209-F212 WeakPolarHBondContact O-CD1 3.29Å; L209-F212 PolarHBondContact O-N 3.45Å
210P87.3Confident95Very high117 Ų11767.1 Ų67.176%0.7635%0.353SS*.THydrogen-bonded Turntrans-62.7-12.3-169.425.7-36.3000115.4H208H208-P210 VanDerWaalsContact C-CD 3.47Å; H208-P210 WeakPolarHBondContact O-CD 3.42Å
211K90.1Very high95Very high190 Ų19066.2 Ų66.283%0.82635%0.349SS*.THydrogen-bonded Turntrans-124.931.4178.1-60.9-173.8179.9179.90112.5L209L209-K211 PolarHBondContact O-N 3.43Å
212F95.5Very high95Very high58 Ų5869.1 Ų69.125%0.25436%0.362SS..  trans-61.4148.3178.279.7-83.5000111.9A184 W188 L190 L206 L209 M214A184-F212 WeakPolarHBondContact O-CA 3.49Å; W188-F212 HydrophobicContact CB-CD2 4.08Å; W188-F212 HydrophobicContact CB-CE2 4.45Å; W188-F212 AromaticContact CD1-CD2 3.88Å; W188-F212 HydrophobicContact CG-CD2 4.03Å; L190-F212 HydrophobicContact CD1-CE2 4.02Å; L190-F212 HydrophobicContact CD1-CZ 4.41Å; L206-F212 HydrophobicContact CB-CD1 4.43Å; L206-F212 HydrophobicContact CB-CE1 4.35Å; L206-F212 HydrophobicContact CD1-CD1 4.46Å; L206-F212 HydrophobicContact CD1-CE1 3.92Å; L206-F212 HydrophobicContact CD1-CE2 4.16Å; L206-F212 HydrophobicContact CD1-CZ 3.75Å; L206-F212 HydrophobicContact CD2-CD1 4.4Å; L206-F212 HydrophobicContact CD2-CD2 4.44Å; L206-F212 HydrophobicContact CD2-CG 4.3Å; L209-F212 HydrophobicContact CB-CB 4.04Å; L209-F212 WeakPolarHBondContact O-CD1 3.29Å; L209-F212 PolarHBondContact O-N 3.45Å; F212-M214 HydrophobicContact CD2-CB 4.49Å; F212-M214 HydrophobicContact CE2-CB 3.79Å; F212-M214 HydrophobicContact CE2-CE 4.08Å; F212-M214 HydrophobicContact CE2-CG 4.46Å; F212-M214 HydrophobicContact CE2-SD 3.99Å; F212-M214 HydrophobicContact CZ-CB 4.44Å
213E94.6Very high95.1Very high109 Ų10968.4 Ų68.451%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-87.3110.7175.6-173.6-179156.300110.8A184 W188 A215A184-E213 PolarHBondContact O-N 3.11Å; W188-E213 WeakPolarHBondContact CB-O 3.3Å; W188-E213 PolarHBondContact N-O 3.02Å; E213-A215 PolarHBondContact O-N 2.86Å
214M96.5Very high95.2Very high72 Ų7260 Ų6036%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-82.5105173.1-176.782.2-68.700110.4W188 L190 F212 M216W188-M214 VanDerWaalsContact C-CE 3.5Å; W188-M214 HydrophobicContact CB-CE 3.66Å; W188-M214 WeakPolarHBondContact O-CE 3.27Å; L190-M214 HydrophobicContact CB-CE 3.9Å; L190-M214 HydrophobicContact CB-SD 4.24Å; L190-M214 HydrophobicContact CD1-CE 3.59Å; L190-M214 HydrophobicContact CD1-SD 3.75Å; L190-M214 HydrophobicContact CG-CE 3.54Å; L190-M214 HydrophobicContact CG-SD 4.19Å; F212-M214 HydrophobicContact CD2-CB 4.49Å; F212-M214 HydrophobicContact CE2-CB 3.79Å; F212-M214 HydrophobicContact CE2-CE 4.08Å; F212-M214 HydrophobicContact CE2-CG 4.46Å; F212-M214 HydrophobicContact CE2-SD 3.99Å; F212-M214 HydrophobicContact CZ-CB 4.44Å; M214-M216 WeakPolarHBondContact CE-O 3.44Å
215A97.3Very high95.4Very high47 Ų4758.2 Ų58.239%0.38832%0.321SS..EExtended strand (participates in β ladder)trans-87.4-44178.800000112.7P187 W188 E213P187-A215 HydrophobicContact CB-CB 3.6Å; W188-A215 WeakPolarHBondContact O-CA 3.01Å; W188-A215 WeakPolarHBondContact O-CB 3.25Å; W188-A215 PolarHBondContact O-N 3.08Å; E213-A215 PolarHBondContact O-N 2.86Å
216M97.6Very high95.4Very high72 Ų7262.2 Ų62.236%0.35534%0.34SS..EExtended strand (participates in β ladder)trans-146.5145.2-177.9-58.6-178.87900112W188 I189 L190 M214 L218 L232W188-M216 PolarHBondContact O-N 2.74Å; I189-M216 WeakPolarHBondContact CA-O 3.4Å; I189-M216 HydrophobicContact CB-CB 4.39Å; I189-M216 HydrophobicContact CD1-SD 4.25Å; I189-M216 HydrophobicContact CG1-CB 4.2Å; I189-M216 HydrophobicContact CG1-CG 4.46Å; I189-M216 HydrophobicContact CG2-CB 3.87Å; L190-M216 PolarHBondContact N-O 3.06Å; M214-M216 WeakPolarHBondContact CE-O 3.44Å; M216-L218 HydrophobicContact CB-CG 4.44Å; M216-L218 HydrophobicContact CE-CD1 4.47Å; M216-L218 HydrophobicContact CE-CD2 4.08Å; M216-L232 HydrophobicContact SD-CD1 4.23Å
217E98.1Very high95.6Very high93 Ų9362.2 Ų62.244%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-116.1126.1165.5-176170.4123.400108.4L190 E192 R193 R198L190-E217 WeakPolarHBondContact O-CA 3.33Å; E192-E217 WeakPolarHBondContact CA-OE1 3.46Å; E192-E217 HydrophobicContact CB-CG 4.33Å; R193-E217 PolarHBondContact N-OE1 3.34Å; R198-E217 IonicContact CZ-OE2 2.65Å; R198-E217 IonicContact NH1-OE2 3.72Å; R198-E217 PolarHBondContact NH1-OE2 3.01Å; R198-E217 IonicContact NH2-OE2 2.8Å
218L97.4Very high95.7Very high35 Ų3558.8 Ų58.818%0.18332%0.317CS..EExtended strand (participates in β ladder)trans-131136.3-173.2-64.9178.9000111.6I189 L190 R191 E192 M216 N220 A223 I224 A227I189-L218 HydrophobicContact CG2-CD1 3.67Å; I189-L218 HydrophobicContact CG2-CG 4.16Å; L190-L218 PolarHBondContact O-N 3.42Å; R191-L218 WeakPolarHBondContact CA-O 3.31Å; E192-L218 PolarHBondContact N-O 2.85Å; E192-L218 VanDerWaalsContact OE2-O 3.08Å; M216-L218 HydrophobicContact CB-CG 4.44Å; M216-L218 HydrophobicContact CE-CD1 4.47Å; M216-L218 HydrophobicContact CE-CD2 4.08Å; L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 3.47Å; L218-A223 HydrophobicContact CD1-CB 4Å; L218-I224 HydrophobicContact CB-CD1 4.39Å; L218-I224 HydrophobicContact CB-CG1 3.8Å; L218-I224 HydrophobicContact CD1-CG1 3.94Å; L218-I224 HydrophobicContact CG-CG1 4.41Å; L218-A227 HydrophobicContact CD1-CB 4.38Å
219G92.1Very high95.8Very high52 Ų5259.1 Ų59.154%0.53632%0.315SS..SBendtrans-73.9-4.2-177.100000116.4E192E192-G219 WeakPolarHBondContact OE2-CA 3.5Å
220N90.8Very high95.8Very high74 Ų7465.3 Ų65.340%0.39634%0.343SS..  trans-148.5131.8-173.9-179.2-5.6000111.3L218 E222 A223 I224L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 3.47Å; N220-E222 VanDerWaalsContact C-N 3.28Å; N220-E222 PolarHBondContact O-N 3.39Å; N220-E222 PolarHBondContact OD1-N 2.76Å; N220-A223 PolarHBondContact O-N 3.38Å; N220-I224 PolarHBondContact O-N 3.42Å
221S95.3Very high96.3Very high3 Ų362.1 Ų62.12%0.02133%0.332CS..Hα-helixtrans-54.9-34.3175.4-59.30000114.6R191 I224 K225R191-S221 PolarHBondContact NH1-OG 3.36Å; S221-I224 WeakPolarHBondContact O-CB 3.31Å; S221-I224 PolarHBondContact O-N 2.93Å; S221-K225 WeakPolarHBondContact O-CG 3.34Å; S221-K225 PolarHBondContact O-N 3.18Å
222E96Very high96.6Very high63 Ų6357.7 Ų57.729%0.29432%0.317SS..Hα-helixtrans-63.4-43.1177.4-70.7-58.3140.300111.7Y102 N220 I224 K225 H226Y102-E222 PolarHBondContact OH-OE1 3.42Å; N220-E222 VanDerWaalsContact C-N 3.28Å; N220-E222 PolarHBondContact O-N 3.39Å; N220-E222 PolarHBondContact OD1-N 2.76Å; E222-I224 VanDerWaalsContact C-N 3.29Å; E222-I224 PolarHBondContact O-N 3.4Å; E222-K225 VanDerWaalsContact CD-NZ 3.31Å; E222-K225 PolarHBondContact O-N 3.5Å; E222-K225 WeakPolarHBondContact OE1-CE 3.34Å; E222-K225 IonicContact OE1-NZ 3.72Å; E222-K225 PolarHBondContact OE1-NZ 2.96Å; E222-K225 WeakPolarHBondContact OE2-CE 3.34Å; E222-K225 IonicContact OE2-NZ 3.37Å; E222-K225 PolarHBondContact OE2-NZ 2.94Å; E222-H226 PolarHBondContact O-CD2 2.8Å; E222-H226 PolarHBondContact O-N 3.07Å
223A97.5Very high96.7Very high44 Ų4455.4 Ų55.436%0.36431%0.309SS..Hα-helixtrans-62.8-39.2176.300000111.3L218 N220 H226 A227L218-A223 HydrophobicContact CD1-CB 4Å; N220-A223 PolarHBondContact O-N 3.38Å; A223-H226 PolarHBondContact O-N 2.84Å; A223-A227 VanDerWaalsContact O-CB 3.29Å; A223-A227 WeakPolarHBondContact O-CB 3.27Å; A223-A227 PolarHBondContact O-N 2.67Å
224I98.4Very high96.9Very high0 Ų050.4 Ų50.40%029%0.286CS..Hα-helixtrans-61.7-49.4174.8-64.1177.3000110.8F166 I189 R191 L218 N220 S221 E222 H226 A227 V228 S235 L237F166-I224 HydrophobicContact CZ-CG2 4Å; I189-I224 HydrophobicContact CG2-CB 4.49Å; I189-I224 HydrophobicContact CG2-CG1 4.09Å; I189-I224 HydrophobicContact CG2-CG2 4.27Å; R191-I224 HydrophobicContact CB-CD1 4.47Å; R191-I224 VanDerWaalsContact CD-CD1 3.43Å; R191-I224 HydrophobicContact CG-CD1 3.74Å; L218-I224 HydrophobicContact CB-CD1 4.39Å; L218-I224 HydrophobicContact CB-CG1 3.8Å; L218-I224 HydrophobicContact CD1-CG1 3.94Å; L218-I224 HydrophobicContact CG-CG1 4.41Å; N220-I224 PolarHBondContact O-N 3.42Å; S221-I224 WeakPolarHBondContact O-CB 3.31Å; S221-I224 PolarHBondContact O-N 2.93Å; E222-I224 VanDerWaalsContact C-N 3.29Å; E222-I224 PolarHBondContact O-N 3.4Å; I224-H226 VanDerWaalsContact C-N 3.31Å; I224-H226 PolarHBondContact O-N 2.85Å; I224-A227 PolarHBondContact O-N 2.64Å; I224-V228 HydrophobicContact CG2-CG2 4.34Å; I224-V228 WeakPolarHBondContact O-CG2 3.18Å; I224-V228 PolarHBondContact O-N 2.93Å; I224-S235 VanDerWaalsContact CG2-CB 3.45Å; I224-S235 WeakPolarHBondContact CG2-OG 2.98Å; I224-L237 HydrophobicContact CB-CD1 4.26Å; I224-L237 HydrophobicContact CD1-CD2 4.22Å; I224-L237 HydrophobicContact CG2-CD1 3.94Å; I224-L237 HydrophobicContact CG2-CG 4.38Å
225K98.3Very high97Very high9 Ų947 Ų474%0.03927%0.269CS..Hα-helixtrans-55.7-46.5178.1-74.1-169.2-62.6-177.70111.7S221 E222 R229 L237 V241 I242 Q245 L251S221-K225 WeakPolarHBondContact O-CG 3.34Å; S221-K225 PolarHBondContact O-N 3.18Å; E222-K225 VanDerWaalsContact CD-NZ 3.31Å; E222-K225 PolarHBondContact O-N 3.5Å; E222-K225 WeakPolarHBondContact OE1-CE 3.34Å; E222-K225 IonicContact OE1-NZ 3.72Å; E222-K225 PolarHBondContact OE1-NZ 2.96Å; E222-K225 WeakPolarHBondContact OE2-CE 3.34Å; E222-K225 IonicContact OE2-NZ 3.37Å; E222-K225 PolarHBondContact OE2-NZ 2.94Å; K225-R229 VanDerWaalsContact O-CB 3.25Å; K225-R229 WeakPolarHBondContact O-CB 3.08Å; K225-R229 PolarHBondContact O-N 2.92Å; K225-L237 HydrophobicContact CG-CD1 4.2Å; K225-V241 HydrophobicContact CD-CG1 4.25Å; K225-V241 WeakPolarHBondContact CD-O 3.4Å; K225-V241 PolarHBondContact NZ-O 2.93Å; K225-I242 HydrophobicContact CD-CG2 3.85Å; K225-I242 HydrophobicContact CG-CG2 3.93Å; K225-Q245 HydrophobicContact CD-CG 4.44Å; K225-L251 HydrophobicContact CB-CD1 4.28Å; K225-L251 HydrophobicContact CG-CD1 4.2Å
226H98Very high97.1Very high85 Ų8544.9 Ų44.939%0.39425%0.251SS..Hα-helixtrans-65.9-44.8178.1-76.3-67.4000112.4E222 A223 I224 V228 R229 H230E222-H226 PolarHBondContact O-CD2 2.8Å; E222-H226 PolarHBondContact O-N 3.07Å; A223-H226 PolarHBondContact O-N 2.84Å; I224-H226 VanDerWaalsContact C-N 3.31Å; I224-H226 PolarHBondContact O-N 2.85Å; H226-V228 PolarHBondContact O-N 3.06Å; H226-R229 PolarHBondContact ND1-NH2 3.49Å; H226-R229 PolarHBondContact O-N 3.07Å; H226-H230 PolarHBondContact O-CD2 3.12Å; H226-H230 PolarHBondContact O-N 3.36Å
227A98.4Very high97.1Very high11 Ų1141.5 Ų41.59%0.09124%0.235CC..Hα-helixtrans-60.2-46.5179.100000111.8I189 L218 A223 I224 H230 G231 L232I189-A227 HydrophobicContact CD1-CB 3.63Å; L218-A227 HydrophobicContact CD1-CB 4.38Å; A223-A227 VanDerWaalsContact O-CB 3.29Å; A223-A227 WeakPolarHBondContact O-CB 3.27Å; A223-A227 PolarHBondContact O-N 2.67Å; I224-A227 PolarHBondContact O-N 2.64Å; A227-H230 PolarHBondContact O-N 3.39Å; A227-G231 PolarHBondContact O-N 3.32Å; A227-L232 HydrophobicContact CB-CB 4.49Å; A227-L232 HydrophobicContact CB-CD1 3.98Å; A227-L232 WeakPolarHBondContact O-CB 3.34Å; A227-L232 PolarHBondContact O-N 3.24Å; A227-L232 VanDerWaalsContact O-N 3.13Å
228V98.6Very high97.1Very high0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-63.7-44.4176.1173.30000111.2F166 A168 I189 I224 H226 H230 G231 G233 L251F166-V228 HydrophobicContact CD2-CB 4.16Å; F166-V228 HydrophobicContact CD2-CG1 3.58Å; F166-V228 HydrophobicContact CD2-CG2 4.44Å; F166-V228 HydrophobicContact CE2-CB 3.67Å; F166-V228 HydrophobicContact CE2-CG1 3.63Å; F166-V228 HydrophobicContact CE2-CG2 3.76Å; F166-V228 HydrophobicContact CZ-CG2 4.26Å; A168-V228 WeakPolarHBondContact CB-O 3.47Å; I189-V228 HydrophobicContact CD1-CG2 4.16Å; I224-V228 HydrophobicContact CG2-CG2 4.34Å; I224-V228 WeakPolarHBondContact O-CG2 3.18Å; I224-V228 PolarHBondContact O-N 2.93Å; H226-V228 PolarHBondContact O-N 3.06Å; V228-H230 PolarHBondContact O-N 3.33Å; V228-G231 WeakPolarHBondContact O-CA 3.35Å; V228-G231 PolarHBondContact O-N 2.89Å; V228-G233 WeakPolarHBondContact CG1-O 3.21Å; V228-L251 HydrophobicContact CB-CD2 4.32Å; V228-L251 HydrophobicContact CG1-CD2 3.85Å
229R97.8Very high97.2Very high106 Ų10638.2 Ų38.240%0.422%0.216SC..Hα-helixtrans-57.2-35.3176.7-175-176.371.5167.93112.4K225 H226 G231 L251K225-R229 VanDerWaalsContact O-CB 3.25Å; K225-R229 WeakPolarHBondContact O-CB 3.08Å; K225-R229 PolarHBondContact O-N 2.92Å; H226-R229 PolarHBondContact ND1-NH2 3.49Å; H226-R229 PolarHBondContact O-N 3.07Å; R229-G231 PolarHBondContact O-N 3.37Å; R229-L251 HydrophobicContact CB-CD2 3.88Å
230H97.3Very high97.4Very high131 Ų13138.3 Ų38.361%0.60620%0.201SC*.THydrogen-bonded Turntrans-82.98.6176.3-73.2-66.5000113.8H226 A227 V228 L232H226-H230 PolarHBondContact O-CD2 3.12Å; H226-H230 PolarHBondContact O-N 3.36Å; A227-H230 PolarHBondContact O-N 3.39Å; V228-H230 PolarHBondContact O-N 3.33Å; H230-L232 VanDerWaalsContact C-N 3.34Å; H230-L232 PolarHBondContact O-N 2.9Å
231G96.7Very high97.7Very high51 Ų5134.9 Ų34.953%0.52618%0.182SC..THydrogen-bonded Turntrans7716.6173.100000114.4A227 V228 R229 G233A227-G231 PolarHBondContact O-N 3.32Å; V228-G231 WeakPolarHBondContact O-CA 3.35Å; V228-G231 PolarHBondContact O-N 2.89Å; R229-G231 PolarHBondContact O-N 3.37Å; G231-G233 PolarHBondContact O-N 3.39Å
232L97.2Very high97.8Very high97 Ų9734.8 Ų34.851%0.50818%0.181SC..SBendtrans-71.3-15.2178-62.9-179.4000113I189 M216 A227 H230I189-L232 HydrophobicContact CD1-CB 3.86Å; M216-L232 HydrophobicContact SD-CD1 4.23Å; A227-L232 HydrophobicContact CB-CB 4.49Å; A227-L232 HydrophobicContact CB-CD1 3.98Å; A227-L232 WeakPolarHBondContact O-CB 3.34Å; A227-L232 PolarHBondContact O-N 3.24Å; A227-L232 VanDerWaalsContact O-N 3.13Å; H230-L232 VanDerWaalsContact C-N 3.34Å; H230-L232 PolarHBondContact O-N 2.9Å
233G98Very high97.9Very high9 Ų934.7 Ų34.79%0.09318%0.181CC..  trans162.9-158.4176.100000113.5P187 V228 G231P187-G233 CarbonylContact O-C 3.5Å; P187-G233 WeakPolarHBondContact O-CA 3.37Å; V228-G233 WeakPolarHBondContact CG1-O 3.21Å; G231-G233 PolarHBondContact O-N 3.39Å
234I98.6Very high97.9Very high4 Ų438 Ų382%0.02119%0.193CC..BIsolated β-bridgetrans-116.4162175.164.7172.6000110.9V165 F166 A167 L173 L183 A186 P187 W188 I189V165-I234 HydrophobicContact CG1-CD1 4.42Å; F166-I234 WeakPolarHBondContact O-CA 3.41Å; A167-I234 HydrophobicContact CB-CG2 3.66Å; L173-I234 HydrophobicContact CD1-CD1 3.95Å; L173-I234 HydrophobicContact CD1-CG2 3.81Å; L183-I234 HydrophobicContact CD2-CD1 3.87Å; A186-I234 HydrophobicContact CB-CD1 3.6Å; A186-I234 HydrophobicContact CB-CG1 3.94Å; P187-I234 PolarHBondContact O-N 3.47Å; W188-I234 CarbonylContact C-O 3.5Å; W188-I234 WeakPolarHBondContact CA-O 3.42Å; W188-I234 HydrophobicContact CD2-CD1 4.18Å; W188-I234 HydrophobicContact CD2-CG1 3.96Å; W188-I234 HydrophobicContact CE3-CG1 4.17Å; W188-I234 HydrophobicContact CG-CG1 4.41Å; W188-I234 HydrophobicContact CH2-CD1 3.85Å; W188-I234 HydrophobicContact CH2-CG1 4.28Å; W188-I234 HydrophobicContact CZ2-CD1 3.45Å; W188-I234 VanDerWaalsContact CZ2-CD1 3.45Å; W188-I234 HydrophobicContact CZ2-CG1 4.12Å; W188-I234 HydrophobicContact CZ3-CD1 4.39Å; W188-I234 HydrophobicContact CZ3-CG1 4.33Å; I189-I234 PolarHBondContact N-O 2.81Å
235S98.6Very high97.9Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-149.1169.5178.3178.10000111.4V165 F166 I189 I224V165-S235 CarbonylContact C-O 3.56Å; V165-S235 VanDerWaalsContact CA-O 3.28Å; V165-S235 WeakPolarHBondContact CA-O 2.79Å; F166-S235 WeakPolarHBondContact CD1-O 3.47Å; F166-S235 PolarHBondContact N-O 3.27Å; F166-S235 PolarHBondContact O-N 3.17Å; F166-S235 VanDerWaalsContact O-N 3.14Å; I189-S235 WeakPolarHBondContact O-CB 3.34Å; I189-S235 PolarHBondContact O-OG 2.64Å; I224-S235 VanDerWaalsContact CG2-CB 3.45Å; I224-S235 WeakPolarHBondContact CG2-OG 2.98Å
236C98.6Very high97.8Very high3 Ų341 Ų412%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-124.9123170.5-1690000110.1V164 V165 W188 V201 L205V164-C236 WeakPolarHBondContact O-CA 3.48Å; V165-C236 HydrophobicContact CG2-CB 4.09Å; W188-C236 HydrophobicContact CZ3-CB 4.12Å; V201-C236 HydrophobicContact CG1-CB 4.27Å; V201-C236 HydrophobicContact CG2-CB 3.82Å; L205-C236 HydrophobicContact CD2-CB 4.11Å
237L98.5Very high97.8Very high1 Ų143.6 Ų43.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-141.9168178.5-68.3177.8000110.1L163 V164 F166 R191 T197 I224 K225 R239 V241 I242L163-L237 CarbonylContact C-O 3.56Å; L163-L237 WeakPolarHBondContact CA-O 3.48Å; V164-L237 PolarHBondContact N-O 3.48Å; V164-L237 PolarHBondContact O-N 3.04Å; V164-L237 VanDerWaalsContact O-N 3.14Å; F166-L237 HydrophobicContact CE1-CB 3.79Å; F166-L237 HydrophobicContact CE1-CD1 3.83Å; F166-L237 HydrophobicContact CE1-CG 3.7Å; F166-L237 HydrophobicContact CZ-CB 4.49Å; F166-L237 HydrophobicContact CZ-CD1 3.68Å; F166-L237 HydrophobicContact CZ-CG 4.03Å; R191-L237 HydrophobicContact CG-CD2 3.93Å; T197-L237 HydrophobicContact CG2-CD2 4.22Å; I224-L237 HydrophobicContact CB-CD1 4.26Å; I224-L237 HydrophobicContact CD1-CD2 4.22Å; I224-L237 HydrophobicContact CG2-CD1 3.94Å; I224-L237 HydrophobicContact CG2-CG 4.38Å; K225-L237 HydrophobicContact CG-CD1 4.2Å; L237-R239 PolarHBondContact O-N 2.78Å; L237-V241 HydrophobicContact CD1-CG1 4.07Å; L237-I242 HydrophobicContact CB-CG2 4.21Å; L237-I242 HydrophobicContact CD1-CG2 4.16Å
238S97.9Very high97.8Very high1 Ų146.5 Ų46.51%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-57.7138.6171.9167.30000111.1D161 E162 R240 V241D161-S238 VanDerWaalsContact CG-OG 3.32Å; D161-S238 PolarHBondContact OD1-OG 3.49Å; D161-S238 VanDerWaalsContact OD2-CB 3.25Å; D161-S238 WeakPolarHBondContact OD2-CB 3.41Å; D161-S238 PolarHBondContact OD2-OG 2.97Å; D161-S238 VanDerWaalsContact OD2-OG 3.1Å; E162-S238 CarbonylContact O-C 3.58Å; E162-S238 VanDerWaalsContact O-CA 3.29Å; E162-S238 WeakPolarHBondContact O-CA 3.44Å; S238-R240 PolarHBondContact O-N 3.2Å; S238-R240 WeakPolarHBondContact OG-CB 3.3Å; S238-R240 PolarHBondContact OG-N 2.91Å; S238-V241 VanDerWaalsContact O-CB 3.31Å; S238-V241 WeakPolarHBondContact O-CB 3.44Å; S238-V241 PolarHBondContact O-N 3.4Å
239R98Very high97.8Very high59 Ų5948.6 Ų48.622%0.22327%0.265CS..Hα-helixtrans-51.5-42.8172.4-177.4172.6-68.9-76.8-0.7110.9E162 V164 L237 V241 I242 E243 E253E162-R239 PolarHBondContact O-N 2.87Å; E162-R239 IonicContact OE2-CZ 3.37Å; E162-R239 IonicContact OE2-NE 3.13Å; E162-R239 PolarHBondContact OE2-NE 3.36Å; E162-R239 IonicContact OE2-NH2 3.22Å; V164-R239 HydrophobicContact CG2-CB 3.77Å; V164-R239 HydrophobicContact CG2-CG 4.33Å; L237-R239 PolarHBondContact O-N 2.78Å; R239-V241 PolarHBondContact O-N 3.39Å; R239-I242 CarbonylContact O-C 3.52Å; R239-I242 PolarHBondContact O-N 2.77Å; R239-E243 WeakPolarHBondContact CD-OE2 3.48Å; R239-E243 WeakPolarHBondContact CG-OE2 3.27Å; R239-E243 IonicContact NH1-OE2 3.84Å; R239-E243 WeakPolarHBondContact O-CA 3.4Å; R239-E243 WeakPolarHBondContact O-CB 3.12Å; R239-E243 PolarHBondContact O-N 3.2Å; R239-E253 IonicContact CZ-OE2 2.76Å; R239-E253 IonicContact NH1-OE2 2.77Å; R239-E253 PolarHBondContact NH1-OE2 3.29Å; R239-E253 VanDerWaalsContact NH1-OE2 3.13Å; R239-E253 IonicContact NH2-OE1 2.72Å; R239-E253 PolarHBondContact NH2-OE1 2.99Å; R239-E253 IonicContact NH2-OE2 3.16Å; R239-E253 PolarHBondContact NH2-OE2 3.02Å
240R96.4Very high97.8Very high54 Ų5446 Ų4620%0.20426%0.261CS..Hα-helixtrans-54.3-31.3178.6-60.4176.7178.1-82.5-7.7113.2Y102 D161 S238 P292 R293Y102-R240 WeakPolarHBondContact CD1-O 3.4Å; D161-R240 IonicContact OD1-NE 3.07Å; S238-R240 PolarHBondContact O-N 3.2Å; S238-R240 WeakPolarHBondContact OG-CB 3.3Å; S238-R240 PolarHBondContact OG-N 2.91Å; R240-P292 PolarHBondContact NH1-O 3.49Å; R240-P292 VanDerWaalsContact NH1-O 3.09Å; R240-R293 PolarHBondContact NH1-OXT 2.94Å; R240-R293 PolarHBondContact NH2-OXT 3.34Å
241V97.5Very high97.8Very high2 Ų239.9 Ų39.91%0.01223%0.233CC..Hα-helixtrans-78.9-30.9-177.2175.60000112.2T98 Y102 K225 L237 S238 R239 Q245T98-V241 HydrophobicContact CG2-CG2 3.89Å; Y102-V241 HydrophobicContact CD2-CG2 3.87Å; Y102-V241 HydrophobicContact CE2-CB 4.15Å; Y102-V241 HydrophobicContact CE2-CG1 4.15Å; Y102-V241 HydrophobicContact CE2-CG2 3.61Å; K225-V241 HydrophobicContact CD-CG1 4.25Å; K225-V241 WeakPolarHBondContact CD-O 3.4Å; K225-V241 PolarHBondContact NZ-O 2.93Å; L237-V241 HydrophobicContact CD1-CG1 4.07Å; S238-V241 VanDerWaalsContact O-CB 3.31Å; S238-V241 WeakPolarHBondContact O-CB 3.44Å; S238-V241 PolarHBondContact O-N 3.4Å; R239-V241 PolarHBondContact O-N 3.39Å; V241-Q245 PolarHBondContact O-OE1 2.95Å
242I97.9Very high97.9Very high0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-112.7-3-172.466168.5000113.7V164 F166 K225 L237 R239 D244 Q245 L246 L251V164-I242 HydrophobicContact CB-CD1 3.93Å; V164-I242 HydrophobicContact CG1-CD1 3.97Å; F166-I242 HydrophobicContact CB-CD1 3.98Å; F166-I242 HydrophobicContact CD1-CD1 3.72Å; F166-I242 HydrophobicContact CD1-CG2 4.3Å; F166-I242 HydrophobicContact CE1-CD1 4.42Å; F166-I242 HydrophobicContact CE1-CG2 4.02Å; F166-I242 HydrophobicContact CE2-CG2 4.49Å; F166-I242 HydrophobicContact CG-CD1 3.92Å; F166-I242 HydrophobicContact CZ-CG2 4.11Å; K225-I242 HydrophobicContact CD-CG2 3.85Å; K225-I242 HydrophobicContact CG-CG2 3.93Å; L237-I242 HydrophobicContact CB-CG2 4.21Å; L237-I242 HydrophobicContact CD1-CG2 4.16Å; R239-I242 CarbonylContact O-C 3.52Å; R239-I242 PolarHBondContact O-N 2.77Å; I242-D244 VanDerWaalsContact C-N 3.35Å; I242-D244 PolarHBondContact O-N 3.38Å; I242-Q245 WeakPolarHBondContact O-CA 3.42Å; I242-Q245 WeakPolarHBondContact O-CB 3.25Å; I242-Q245 PolarHBondContact O-N 2.91Å; I242-Q245 PolarHBondContact O-OE1 3.02Å; I242-L246 HydrophobicContact CD1-CD1 3.9Å; I242-L246 HydrophobicContact CD1-CD2 4.29Å; I242-L246 HydrophobicContact CD1-CG 4.14Å; I242-L246 HydrophobicContact CG1-CD1 3.94Å; I242-L246 HydrophobicContact CG1-CG 4.16Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 2.87Å; I242-L251 HydrophobicContact CG2-CD1 4.45Å
243E97.5Very high98Very high61 Ų6138.5 Ų38.529%0.28521%0.214SC..Hα-helixtrans-55.2-46.9-172.1-175.458.5-151.600112R239 Q245 L246 Q247R239-E243 WeakPolarHBondContact CD-OE2 3.48Å; R239-E243 WeakPolarHBondContact CG-OE2 3.27Å; R239-E243 IonicContact NH1-OE2 3.84Å; R239-E243 WeakPolarHBondContact O-CA 3.4Å; R239-E243 WeakPolarHBondContact O-CB 3.12Å; R239-E243 PolarHBondContact O-N 3.2Å; E243-Q245 VanDerWaalsContact C-N 3.27Å; E243-Q245 PolarHBondContact O-N 2.81Å; E243-L246 WeakPolarHBondContact O-CB 3.4Å; E243-L246 PolarHBondContact O-N 3.41Å; E243-L246 VanDerWaalsContact O-N 3.15Å; E243-Q247 WeakPolarHBondContact O-CG 3.4Å; E243-Q247 PolarHBondContact O-N 3.21Å; E243-Q247 PolarHBondContact OE1-NE2 2.98Å
244D97.3Very high98Very high115 Ų11538.3 Ų38.362%0.61521%0.21SC*.Hα-helixtrans-59.1-38.6176.8-67.2-15.3000112.2I242 A248I242-D244 VanDerWaalsContact C-N 3.35Å; I242-D244 PolarHBondContact O-N 3.38Å; D244-A248 VanDerWaalsContact O-CB 3.22Å; D244-A248 WeakPolarHBondContact O-CB 3.27Å; D244-A248 PolarHBondContact O-N 3.04Å
245Q98.3Very high97.9Very high41 Ų4140.5 Ų40.519%0.19223%0.229CC..Hα-helixtrans-73.4-33179.4-71.574.928.100112.3K225 V241 I242 E243 G249 T250 L251K225-Q245 HydrophobicContact CD-CG 4.44Å; V241-Q245 PolarHBondContact O-OE1 2.95Å; I242-Q245 WeakPolarHBondContact O-CA 3.42Å; I242-Q245 WeakPolarHBondContact O-CB 3.25Å; I242-Q245 PolarHBondContact O-N 2.91Å; I242-Q245 PolarHBondContact O-OE1 3.02Å; E243-Q245 VanDerWaalsContact C-N 3.27Å; E243-Q245 PolarHBondContact O-N 2.81Å; Q245-G249 PolarHBondContact O-N 2.91Å; Q245-G249 VanDerWaalsContact O-N 3.15Å; Q245-T250 WeakPolarHBondContact CA-OG1 3.39Å; Q245-T250 WeakPolarHBondContact CB-OG1 3.27Å; Q245-T250 PolarHBondContact O-N 2.9Å; Q245-T250 PolarHBondContact O-OG1 3.31Å; Q245-L251 HydrophobicContact CB-CB 3.96Å; Q245-L251 HydrophobicContact CB-CD1 3.65Å; Q245-L251 HydrophobicContact CB-CG 3.81Å; Q245-L251 HydrophobicContact CG-CD1 4Å; Q245-L251 HydrophobicContact CG-CG 4.36Å; Q245-L251 PolarHBondContact O-N 2.88Å; Q245-L251 VanDerWaalsContact O-N 3.17Å
246L98Very high97.9Very high30 Ų3042.1 Ų42.116%0.15724%0.239CC..Hα-helixtrans-66.3-47.2172.2-65.7178.2000110.4I242 E243 A248 G249 L251 E253I242-L246 HydrophobicContact CD1-CD1 3.9Å; I242-L246 HydrophobicContact CD1-CD2 4.29Å; I242-L246 HydrophobicContact CD1-CG 4.14Å; I242-L246 HydrophobicContact CG1-CD1 3.94Å; I242-L246 HydrophobicContact CG1-CG 4.16Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 2.87Å; E243-L246 WeakPolarHBondContact O-CB 3.4Å; E243-L246 PolarHBondContact O-N 3.41Å; E243-L246 VanDerWaalsContact O-N 3.15Å; L246-A248 VanDerWaalsContact C-N 3.35Å; L246-A248 PolarHBondContact O-N 3.46Å; L246-G249 PolarHBondContact O-N 3.41Å; L246-L251 HydrophobicContact CD2-CB 4.43Å; L246-E253 HydrophobicContact CD2-CB 4.22Å
247Q97.9Very high97.8Very high140 Ų14045.1 Ų45.165%0.65426%0.259SS*.Hα-helixtrans-62.6-40.6177.3-70.2-179.69.200112.3E243 G249E243-Q247 WeakPolarHBondContact O-CG 3.4Å; E243-Q247 PolarHBondContact O-N 3.21Å; E243-Q247 PolarHBondContact OE1-NE2 2.98Å; Q247-G249 PolarHBondContact O-N 3.48Å
248A97.9Very high97.6Very high72 Ų7246.8 Ų46.860%0.59527%0.267SS*.THydrogen-bonded Turntrans-74.5-6.6175.500000113.7D244 L246 T250D244-A248 VanDerWaalsContact O-CB 3.22Å; D244-A248 WeakPolarHBondContact O-CB 3.27Å; D244-A248 PolarHBondContact O-N 3.04Å; L246-A248 VanDerWaalsContact C-N 3.35Å; L246-A248 PolarHBondContact O-N 3.46Å; A248-T250 HydrophobicContact CB-CG2 4.07Å; A248-T250 PolarHBondContact O-N 3.36Å
249G97.5Very high97.5Very high43 Ų4351.8 Ų51.844%0.44330%0.299SS..THydrogen-bonded Turntrans64.220.6-176.200000114P169 Q245 L246 Q247P169-G249 WeakPolarHBondContact CG-O 3.35Å; Q245-G249 PolarHBondContact O-N 2.91Å; Q245-G249 VanDerWaalsContact O-N 3.15Å; L246-G249 PolarHBondContact O-N 3.41Å; Q247-G249 PolarHBondContact O-N 3.48Å
250T98Very high97.4Very high52 Ų5257 Ų5732%0.31932%0.319SS..SBendtrans-87.5-18.6177.761.70000112.7P169 Q245 A248P169-T250 WeakPolarHBondContact CD-O 3.31Å; Q245-T250 WeakPolarHBondContact CA-OG1 3.39Å; Q245-T250 WeakPolarHBondContact CB-OG1 3.27Å; Q245-T250 PolarHBondContact O-N 2.9Å; Q245-T250 PolarHBondContact O-OG1 3.31Å; A248-T250 HydrophobicContact CB-CG2 4.07Å; A248-T250 PolarHBondContact O-N 3.36Å
251L98.6Very high97.5Very high2 Ų255 Ų551%0.0131%0.312CS..SBendtrans-127.8156.8165.7-67.6176.7000108.1F166 K225 V228 R229 I242 Q245 L246F166-L251 HydrophobicContact CD2-CB 4.34Å; F166-L251 HydrophobicContact CD2-CD1 3.63Å; F166-L251 HydrophobicContact CD2-CD2 3.96Å; F166-L251 HydrophobicContact CD2-CG 4.19Å; F166-L251 HydrophobicContact CE2-CD1 3.66Å; F166-L251 HydrophobicContact CE2-CD2 4.26Å; K225-L251 HydrophobicContact CB-CD1 4.28Å; K225-L251 HydrophobicContact CG-CD1 4.2Å; V228-L251 HydrophobicContact CB-CD2 4.32Å; V228-L251 HydrophobicContact CG1-CD2 3.85Å; R229-L251 HydrophobicContact CB-CD2 3.88Å; I242-L251 HydrophobicContact CG2-CD1 4.45Å; Q245-L251 HydrophobicContact CB-CB 3.96Å; Q245-L251 HydrophobicContact CB-CD1 3.65Å; Q245-L251 HydrophobicContact CB-CG 3.81Å; Q245-L251 HydrophobicContact CG-CD1 4Å; Q245-L251 HydrophobicContact CG-CG 4.36Å; Q245-L251 PolarHBondContact O-N 2.88Å; Q245-L251 VanDerWaalsContact O-N 3.17Å; L246-L251 HydrophobicContact CD2-CB 4.43Å
252S98.5Very high97.4Very high30 Ų3058.3 Ų58.321%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-129133.9176.7-610000110.2F166 A167 P169F166-S252 CarbonylContact C-O 3.35Å; F166-S252 VanDerWaalsContact CA-O 3.23Å; F166-S252 WeakPolarHBondContact CA-O 3.31Å; F166-S252 WeakPolarHBondContact CB-O 3.48Å; A167-S252 PolarHBondContact N-O 3.49Å; A167-S252 PolarHBondContact O-N 3.09Å; P169-S252 WeakPolarHBondContact CA-OG 3.16Å
253E98.4Very high97.3Very high90 Ų9058.7 Ų58.742%0.42133%0.33SS..EExtended strand (participates in β ladder)trans-65.5136.3172.2175.5163.5-178.700110.4V164 R239 L246V164-E253 HydrophobicContact CG1-CB 4.03Å; V164-E253 HydrophobicContact CG1-CG 3.55Å; R239-E253 IonicContact CZ-OE2 2.76Å; R239-E253 IonicContact NH1-OE2 2.77Å; R239-E253 PolarHBondContact NH1-OE2 3.29Å; R239-E253 VanDerWaalsContact NH1-OE2 3.13Å; R239-E253 IonicContact NH2-OE1 2.72Å; R239-E253 PolarHBondContact NH2-OE1 2.99Å; R239-E253 IonicContact NH2-OE2 3.16Å; R239-E253 PolarHBondContact NH2-OE2 3.02Å; L246-E253 HydrophobicContact CD2-CB 4.22Å
254V98.4Very high97.3Very high4 Ų457.5 Ų57.52%0.02433%0.327CS..  trans-98124.2177.7175.70000108.3V165 A167 L173 V178 L183 V256V165-V254 HydrophobicContact CB-CB 4.27Å; V165-V254 HydrophobicContact CG1-CB 3.94Å; V165-V254 HydrophobicContact CG1-CG1 4.37Å; V165-V254 HydrophobicContact CG1-CG2 4.32Å; V165-V254 PolarHBondContact O-N 3.09Å; A167-V254 HydrophobicContact CB-CG2 3.77Å; L173-V254 HydrophobicContact CB-CG1 4.25Å; L173-V254 HydrophobicContact CB-CG2 4.24Å; V178-V254 HydrophobicContact CG1-CG1 4.04Å; V178-V254 HydrophobicContact CG2-CG1 3.68Å; L183-V254 HydrophobicContact CD2-CG1 4.12Å; V254-V256 HydrophobicContact CG1-CG1 4.3Å; V254-V256 PolarHBondContact O-N 3.08Å
255A97.3Very high97.3Very high50 Ų5052 Ų5241%0.41330%0.298SS..BIsolated β-bridgetrans-76.188.6179.100000110.9V178V178-A255 WeakPolarHBondContact CG2-O 3.33Å; V178-A255 PolarHBondContact N-O 3.39Å
256V97Very high97.3Very high35 Ų3552.8 Ų52.821%0.21230%0.299CS..  trans-75.6146.5-178.1-60.70000112.8V165 L183 V254 L258V165-V256 HydrophobicContact CB-CG1 3.71Å; V165-V256 HydrophobicContact CG1-CG1 4.19Å; V165-V256 HydrophobicContact CG2-CG1 3.67Å; L183-V256 HydrophobicContact CD1-CB 4.17Å; L183-V256 HydrophobicContact CD1-CG1 3.84Å; L183-V256 HydrophobicContact CD2-CG1 4.32Å; V254-V256 HydrophobicContact CG1-CG1 4.3Å; V254-V256 PolarHBondContact O-N 3.08Å; V256-L258 HydrophobicContact CG2-CB 4.37Å; V256-L258 PolarHBondContact O-N 3.05Å
257P96Very high97.2Very high66 Ų6653.1 Ų53.143%0.42930%0.298SS..SBendtrans-84.843.9-179.937.6-36.9000111.7V178 L180V178-P257 VanDerWaalsContact O-CD 3.26Å; V178-P257 WeakPolarHBondContact O-CD 3.33Å; V178-P257 VanDerWaalsContact O-CG 3.3Å; V178-P257 WeakPolarHBondContact O-CG 3.38Å; L180-P257 HydrophobicContact CD2-CG 3.79Å; L180-P257 HydrophobicContact CG-CG 3.89Å
258L95.5Very high97.2Very high35 Ų3546.4 Ų46.418%0.18327%0.267CS..SBendtrans-134.7159.4-179.2-68175.1000109.9L180 L205 H208 V256L180-L258 HydrophobicContact CD2-CD1 4.24Å; L180-L258 HydrophobicContact CD2-CD2 4.34Å; L180-L258 HydrophobicContact CD2-CG 4.17Å; L205-L258 HydrophobicContact CD1-CD1 3.55Å; H208-L258 HydrophobicContact CB-CD1 4.45Å; V256-L258 HydrophobicContact CG2-CB 4.37Å; V256-L258 PolarHBondContact O-N 3.05Å
259P95.7Very high97.2Very high106 Ų10643.8 Ų43.869%0.68824%0.242SC*.SBendtrans-54.4158.8167.9-23.534.5000111.8L261P259-L261 PolarHBondContact O-N 2.89Å
260R96.4Very high97.2Very high170 Ų17042.3 Ų42.364%0.64222%0.224SC*.  trans-52130.1174.4-67179.571.7-172.63.9109.8E162 M262E162-R260 IonicContact OE1-CZ 2.67Å; E162-R260 VanDerWaalsContact OE1-CZ 3.24Å; E162-R260 IonicContact OE1-NE 3.71Å; E162-R260 PolarHBondContact OE1-NE 3.47Å; E162-R260 IonicContact OE1-NH2 2.64Å; E162-R260 PolarHBondContact OE1-NH2 3.09Å; E162-R260 IonicContact OE2-CZ 3.62Å; E162-R260 IonicContact OE2-NH2 3.41Å; E162-R260 PolarHBondContact OE2-NH2 3.31Å; R260-M262 VanDerWaalsContact C-N 3.29Å; R260-M262 HydrophobicContact CB-CG 4.18Å; R260-M262 HydrophobicContact CB-SD 4.19Å; R260-M262 PolarHBondContact O-N 3.18Å
261L97.3Very high97.1Very high10 Ų1046.7 Ų46.75%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-80.879.3-176.1-54.7176000109.1L163 V165 L204 L205 P259L163-L261 HydrophobicContact CB-CB 3.89Å; L163-L261 WeakPolarHBondContact CB-O 3.43Å; L163-L261 PolarHBondContact N-O 2.89Å; V165-L261 HydrophobicContact CG2-CD1 4.1Å; L204-L261 HydrophobicContact CB-CD2 4.06Å; L205-L261 HydrophobicContact CB-CD1 4.39Å; L205-L261 HydrophobicContact CD2-CD1 4.14Å; P259-L261 PolarHBondContact O-N 2.89Å
262M96.9Very high96.8Very high73 Ų7349.7 Ų49.736%0.3625%0.248SC..EExtended strand (participates in β ladder)trans-87.7142.5-178-60.2-56.5-58.300111.5E160 E162 L204 R260E160-M262 HydrophobicContact CB-CE 4.36Å; E162-M262 HydrophobicContact CB-CE 4.35Å; E162-M262 HydrophobicContact CB-SD 3.92Å; E162-M262 HydrophobicContact CG-SD 4.15Å; L204-M262 VanDerWaalsContact CD1-O 3.31Å; L204-M262 WeakPolarHBondContact CD1-O 3.4Å; R260-M262 VanDerWaalsContact C-N 3.29Å; R260-M262 HydrophobicContact CB-CG 4.18Å; R260-M262 HydrophobicContact CB-SD 4.19Å; R260-M262 PolarHBondContact O-N 3.18Å
263R95.9Very high96.6Very high7 Ų749.3 Ų49.33%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-135.7149.7171.873.1-179.8175.6171.42.4111.4T98 E145 D161 T197 I200 L265T98-R263 PolarHBondContact OG1-NH2 3.48Å; E145-R263 IonicContact OE2-CZ 2.89Å; E145-R263 IonicContact OE2-NH1 2.83Å; E145-R263 PolarHBondContact OE2-NH1 3Å; E145-R263 IonicContact OE2-NH2 3.63Å; E145-R263 PolarHBondContact OE2-NH2 3.48Å; D161-R263 HydrophobicContact CB-CG 3.93Å; D161-R263 PolarHBondContact N-O 2.99Å; D161-R263 PolarHBondContact O-N 3.37Å; D161-R263 IonicContact OD2-CZ 3.87Å; D161-R263 IonicContact OD2-NE 2.79Å; D161-R263 PolarHBondContact OD2-NE 3.29Å; D161-R263 IonicContact OD2-NH2 2.99Å; D161-R263 PolarHBondContact OD2-NH2 3.46Å; T197-R263 PolarHBondContact OG1-NH1 2.9Å; I200-R263 HydrophobicContact CG1-CB 4.36Å; I200-R263 HydrophobicContact CG2-CB 4Å; R263-L265 HydrophobicContact CG-CD2 4.38Å
264T96.3Very high96.2Very high36 Ų3646.5 Ų46.522%0.22123%0.23CC..EExtended strand (participates in β ladder)trans-88.2132.1167.9-53.30000109.7P157 L159 E160 W266P157-T264 HydrophobicContact CB-CG2 3.91Å; L159-T264 CarbonylContact O-C 3.58Å; L159-T264 WeakPolarHBondContact O-CA 3.46Å; E160-T264 WeakPolarHBondContact OE1-CB 3.36Å; E160-T264 PolarHBondContact OE1-OG1 3.31Å; T264-W266 HydrophobicContact CG2-CD2 4.25Å; T264-W266 HydrophobicContact CG2-CZ2 3.99Å; T264-W266 PolarHBondContact O-NE1 3.43Å
265L97.5Very high95.8Very high0 Ų048.4 Ų48.40%024%0.239CC..EExtended strand (participates in β ladder)trans-89.7143165.6-53.1-178.1000108.7I99 I103 I144 E145 W158 L159 D161 R263I99-L265 HydrophobicContact CD1-CB 4.11Å; I99-L265 HydrophobicContact CD1-CD1 4.32Å; I99-L265 HydrophobicContact CD1-CD2 4.3Å; I99-L265 HydrophobicContact CD1-CG 4.49Å; I99-L265 HydrophobicContact CG1-CD1 4.04Å; I99-L265 HydrophobicContact CG1-CD2 4.48Å; I103-L265 HydrophobicContact CD1-CD1 3.58Å; I144-L265 WeakPolarHBondContact O-CA 3.15Å; E145-L265 HydrophobicContact CB-CD2 4.29Å; E145-L265 HydrophobicContact CG-CD2 3.74Å; W158-L265 WeakPolarHBondContact CA-O 3.45Å; W158-L265 VanDerWaalsContact CB-O 3.31Å; W158-L265 WeakPolarHBondContact CB-O 3.29Å; W158-L265 HydrophobicContact CE3-CB 4.44Å; W158-L265 PolarHBondContact N-O 2.92Å; L159-L265 HydrophobicContact CB-CB 4.23Å; L159-L265 HydrophobicContact CB-CD1 4.15Å; L159-L265 HydrophobicContact CB-CG 4.47Å; L159-L265 PolarHBondContact N-O 3.24Å; L159-L265 PolarHBondContact O-N 3.42Å; D161-L265 HydrophobicContact CB-CD1 3.87Å; D161-L265 HydrophobicContact CB-CD2 3.94Å; D161-L265 HydrophobicContact CB-CG 3.78Å; R263-L265 HydrophobicContact CG-CD2 4.38Å
266W97.6Very high95.3Very high57 Ų5747.3 Ų47.322%0.21623%0.229CC..EExtended strand (participates in β ladder)trans-124.5144.7-168.8-58.678000112F143 I144 E156 P157 T264 I268F143-W266 WeakPolarHBondContact CA-O 3.39Å; I144-W266 HydrophobicContact CG1-CB 3.88Å; I144-W266 PolarHBondContact N-O 3.4Å; I144-W266 PolarHBondContact O-N 2.92Å; E156-W266 VanDerWaalsContact C-CE3 3.44Å; E156-W266 WeakPolarHBondContact O-CA 3.45Å; P157-W266 HydrophobicContact CB-CE3 4.47Å; P157-W266 HydrophobicContact CB-CZ3 4.29Å; P157-W266 VanDerWaalsContact CD-CZ3 3.49Å; P157-W266 HydrophobicContact CG-CE3 4.09Å; P157-W266 HydrophobicContact CG-CH2 3.86Å; P157-W266 HydrophobicContact CG-CZ3 3.5Å; T264-W266 HydrophobicContact CG2-CD2 4.25Å; T264-W266 HydrophobicContact CG2-CZ2 3.99Å; T264-W266 PolarHBondContact O-NE1 3.43Å; W266-I268 HydrophobicContact CB-CG2 4.46Å
267R97.1Very high94.8Very high37 Ų3750 Ų5014%0.1424%0.242CC..EExtended strand (participates in β ladder)trans-94.2133.5164.2-76177.7-66.7-176.7-0108.6F143 S155 E156 W158F143-R267 HydrophobicContact CD1-CG 3.63Å; F143-R267 HydrophobicContact CE1-CG 3.38Å; F143-R267 HydrophobicContact CZ-CG 4.21Å; S155-R267 WeakPolarHBondContact CA-O 3.36Å; E156-R267 PolarHBondContact N-O 2.99Å; E156-R267 PolarHBondContact O-N 3.21Å; W158-R267 HydrophobicContact CB-CG 3.89Å; W158-R267 HydrophobicContact CD2-CG 3.99Å; W158-R267 HydrophobicContact CE3-CG 4.43Å; W158-R267 HydrophobicContact CG-CG 3.75Å
268I97.9Very high94.4Very high0 Ų047.1 Ų47.10%022%0.224CC..EExtended strand (participates in β ladder)trans-132.9142.7-17963.5160.6000112.1V130 M131 V134 I141 G142 I144 C148 I153 I154 W266V130-I268 HydrophobicContact CG1-CD1 4.18Å; M131-I268 HydrophobicContact CB-CD1 4.48Å; M131-I268 HydrophobicContact CG-CD1 3.84Å; V134-I268 HydrophobicContact CB-CD1 4.3Å; V134-I268 HydrophobicContact CG2-CD1 3.91Å; V134-I268 HydrophobicContact CG2-CG1 4.09Å; I141-I268 WeakPolarHBondContact CG1-O 3.27Å; G142-I268 PolarHBondContact N-O 2.73Å; G142-I268 WeakPolarHBondContact O-CG1 3.35Å; G142-I268 PolarHBondContact O-N 3.11Å; I144-I268 HydrophobicContact CD1-CD1 4.26Å; I144-I268 HydrophobicContact CD1-CG2 3.87Å; I144-I268 HydrophobicContact CG1-CG2 4.03Å; I144-I268 HydrophobicContact CG2-CD1 3.9Å; I144-I268 HydrophobicContact CG2-CG1 4.38Å; C148-I268 HydrophobicContact CB-CG2 4.32Å; I153-I268 HydrophobicContact CD1-CD1 4.37Å; I153-I268 HydrophobicContact CG2-CB 3.65Å; I153-I268 HydrophobicContact CG2-CD1 4.43Å; I153-I268 HydrophobicContact CG2-CG2 3.93Å; I154-I268 VanDerWaalsContact O-CA 3.28Å; I154-I268 WeakPolarHBondContact O-CA 3.33Å; W266-I268 HydrophobicContact CB-CG2 4.46Å
269H97.6Very high94.2Very high17 Ų1745.5 Ų45.58%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-147.1158.216961.4-83.9000110I153 I154 R271I153-H269 WeakPolarHBondContact CA-O 3.41Å; I154-H269 PolarHBondContact N-O 2.82Å; I154-H269 PolarHBondContact O-N 2.88Å; H269-R271 PolarHBondContact O-N 3.04Å
270H97.3Very high94Very high12 Ų1245.8 Ų45.86%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-64.3138.5177.1-166.8-76.2000109.5V134 F137 E152 Q272 K273V134-H270 HydrophobicContact CG1-CB 4.24Å; V134-H270 VanDerWaalsContact CG1-N 3.27Å; F137-H270 HydrophobicContact CD1-CB 4.39Å; F137-H270 HydrophobicContact CE1-CB 3.86Å; F137-H270 AromaticContact CE1-CG 3.78Å; F137-H270 AromaticContact CE1-ND1 3.86Å; F137-H270 AromaticContact CE2-CD2 3.53Å; F137-H270 AromaticContact CE2-CE1 3.76Å; F137-H270 AromaticContact CE2-CG 3.76Å; F137-H270 AromaticContact CE2-ND1 3.85Å; F137-H270 AromaticContact CE2-NE2 3.55Å; F137-H270 HydrophobicContact CZ-CB 3.95Å; F137-H270 AromaticContact CZ-CD2 3.62Å; F137-H270 AromaticContact CZ-CE1 3.47Å; F137-H270 VanDerWaalsContact CZ-CE1 3.47Å; F137-H270 WeakPolarHBondContact CZ-CE1 3.33Å; F137-H270 AromaticContact CZ-CG 3.32Å; F137-H270 AromaticContact CZ-ND1 3.18Å; F137-H270 WeakPolarHBondContact CZ-ND1 3.5Å; F137-H270 AromaticContact CZ-NE2 3.72Å; E152-H270 CarbonylContact O-C 3.51Å; H270-Q272 PolarHBondContact ND1-N 3.31Å; H270-Q272 PolarHBondContact O-N 3.16Å; H270-K273 HydrophobicContact CB-CB 4.07Å; H270-K273 WeakPolarHBondContact O-CB 3.49Å; H270-K273 PolarHBondContact O-N 3.17Å
271R95.9Very high93.7Very high144 Ų14440.1 Ų40.154%0.54318%0.181SC..THydrogen-bonded Turntrans-55.1-31.3-178.9-179.7-175.3-66-88.2-1.8113.3T151 E152 I154 H269T151-R271 VanDerWaalsContact O-CZ 3.31Å; T151-R271 PolarHBondContact O-NE 3.42Å; T151-R271 PolarHBondContact O-NH2 3.11Å; E152-R271 WeakPolarHBondContact O-CB 3.39Å; E152-R271 PolarHBondContact O-N 2.99Å; I154-R271 HydrophobicContact CD1-CB 4.33Å; I154-R271 HydrophobicContact CD1-CG 4.26Å; I154-R271 HydrophobicContact CG1-CB 4.15Å; I154-R271 HydrophobicContact CG1-CG 4.34Å; H269-R271 PolarHBondContact O-N 3.04Å
272Q93.2Very high93.5Very high64 Ų6439.6 Ų39.630%0.29918%0.179SC..THydrogen-bonded Turntrans-98.48.8178.6-59.8178-46.700113.5P68 F137 H270 H274P68-Q272 HydrophobicContact CB-CB 3.85Å; P68-Q272 HydrophobicContact CB-CG 4.39Å; F137-Q272 HydrophobicContact CZ-CB 4.33Å; H270-Q272 PolarHBondContact ND1-N 3.31Å; H270-Q272 PolarHBondContact O-N 3.16Å; Q272-H274 PolarHBondContact O-N 3.49Å
273K93.4Very high93.4Very high22 Ų2237.5 Ų37.510%0.09617%0.169CC..  trans-69129.2176.1179.157.1-176170.60109.8E75 F137 D140 H270 L275E75-K273 IonicContact OE1-NZ 3.2Å; E75-K273 PolarHBondContact OE1-NZ 2.98Å; E75-K273 IonicContact OE2-NZ 2.85Å; E75-K273 PolarHBondContact OE2-NZ 2.81Å; F137-K273 HydrophobicContact CD1-CD 4.42Å; D140-K273 WeakPolarHBondContact OD1-CE 3.27Å; D140-K273 IonicContact OD1-NZ 3.21Å; D140-K273 PolarHBondContact OD1-NZ 2.85Å; H270-K273 HydrophobicContact CB-CB 4.07Å; H270-K273 WeakPolarHBondContact O-CB 3.49Å; H270-K273 PolarHBondContact O-N 3.17Å; K273-L275 HydrophobicContact CG-CD2 4.49Å; K273-L275 PolarHBondContact O-N 3.02Å
274H89.5Confident93.3Very high32 Ų3242.3 Ų42.315%0.14820%0.195CC..  trans-72124.8167.7177.358.7000109.6A72 E79 Q272 S276A72-H274 HydrophobicContact CB-CB 4.28Å; E79-H274 IonicContact OE1-CD2 3.24Å; E79-H274 PolarHBondContact OE1-CD2 2.96Å; E79-H274 IonicContact OE1-NE2 3.67Å; E79-H274 PolarHBondContact OE1-NE2 3.25Å; E79-H274 IonicContact OE2-CD2 2.73Å; E79-H274 IonicContact OE2-CE1 3.38Å; E79-H274 IonicContact OE2-NE2 2.93Å; E79-H274 PolarHBondContact OE2-NE2 3.06Å; Q272-H274 PolarHBondContact O-N 3.49Å; H274-S276 PolarHBondContact O-N 3.27Å
275L90.5Very high93.3Very high43 Ų4342.1 Ų42.123%0.22519%0.19CC..  trans-87.8102.6176.7-61.2-177.1000109K273 L279 R280K273-L275 HydrophobicContact CG-CD2 4.49Å; K273-L275 PolarHBondContact O-N 3.02Å; L275-L279 HydrophobicContact CD2-CD2 3.59Å; L275-L279 HydrophobicContact CD2-CG 4.48Å; L275-R280 HydrophobicContact CB-CG 4.29Å; L275-R280 PolarHBondContact O-NH1 2.78Å; L275-R280 PolarHBondContact O-NH2 2.96Å
276S87.3Confident93.2Very high28 Ų2842.1 Ų42.120%0.19619%0.19CC..  trans-68.3159.8178.171.20000112.6E79 H274 A278 L279 R280E79-S276 WeakPolarHBondContact OE1-CA 3.43Å; E79-S276 WeakPolarHBondContact OE1-CB 3.47Å; H274-S276 PolarHBondContact O-N 3.27Å; S276-A278 PolarHBondContact O-N 3.49Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact OG-CB 3.29Å; S276-L279 WeakPolarHBondContact OG-CB 3.43Å; S276-L279 PolarHBondContact OG-N 3.43Å; S276-R280 WeakPolarHBondContact O-CG 3.46Å; S276-R280 PolarHBondContact O-N 3.45Å
277N86Confident92.9Very high91 Ų9142.9 Ų42.949%0.48720%0.199SC..Hα-helixtrans-60.2-36.5173.4-71.7-22.4000111.8R280 R281N277-R280 PolarHBondContact OD1-NH1 2.91Å; N277-R281 VanDerWaalsContact O-CB 3.27Å; N277-R281 WeakPolarHBondContact O-CB 3.35Å; N277-R281 PolarHBondContact O-N 3.44Å
278A86.8Confident92.4Very high5 Ų543.8 Ų43.84%0.04121%0.209CC..Hα-helixtrans-65-42.4175.100000112.1N88 I91 S276 R281 F282N88-A278 HydrophobicContact CB-CB 3.95Å; I91-A278 HydrophobicContact CD1-CB 4.16Å; I91-A278 VanDerWaalsContact CD1-O 3.31Å; I91-A278 WeakPolarHBondContact CD1-O 3.46Å; I91-A278 HydrophobicContact CG1-CB 4.28Å; S276-A278 PolarHBondContact O-N 3.49Å; A278-R281 PolarHBondContact O-N 3.38Å; A278-F282 PolarHBondContact O-N 2.93Å
279L91.2Very high91.8Very high1 Ų148 Ų481%0.00524%0.244CC..Hα-helixtrans-67.4-45177.5178.559.5000112I91 D140 I141 L275 S276 R281 F282 L283I91-L279 HydrophobicContact CG2-CD1 4.09Å; D140-L279 HydrophobicContact CB-CD1 4.49Å; D140-L279 HydrophobicContact CB-CD2 4.16Å; I141-L279 HydrophobicContact CB-CD1 4.01Å; I141-L279 HydrophobicContact CD1-CD1 4.47Å; I141-L279 HydrophobicContact CG2-CD1 3.8Å; L275-L279 HydrophobicContact CD2-CD2 3.59Å; L275-L279 HydrophobicContact CD2-CG 4.48Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact OG-CB 3.29Å; S276-L279 WeakPolarHBondContact OG-CB 3.43Å; S276-L279 PolarHBondContact OG-N 3.43Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 2.96Å; L279-F282 PolarHBondContact O-N 3.24Å; L279-L283 HydrophobicContact CD1-CG 4.47Å; L279-L283 HydrophobicContact CG-CD1 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.46Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.22Å
280R92Very high91.1Very high112 Ų11251 Ų5142%0.42326%0.261SS..Hα-helixtrans-56.9-46.7174.4-71.7-173.3-172100.29.6111.2L275 S276 N277 F282 L283 D284L275-R280 HydrophobicContact CB-CG 4.29Å; L275-R280 PolarHBondContact O-NH1 2.78Å; L275-R280 PolarHBondContact O-NH2 2.96Å; S276-R280 WeakPolarHBondContact O-CG 3.46Å; S276-R280 PolarHBondContact O-N 3.45Å; N277-R280 PolarHBondContact OD1-NH1 2.91Å; R280-F282 PolarHBondContact O-N 3.24Å; R280-L283 VanDerWaalsContact O-CB 3.3Å; R280-L283 WeakPolarHBondContact O-CB 3.32Å; R280-L283 PolarHBondContact O-N 3.06Å; R280-L283 VanDerWaalsContact O-N 3.13Å; R280-D284 PolarHBondContact O-N 3.02Å; R280-D284 VanDerWaalsContact O-N 3.09Å
281R91.4Very high90.2Very high51 Ų5151 Ų5119%0.19226%0.262CS..Hα-helixtrans-59.8-44.3175.8179.3170.961.5-133.3-6.7112.2N88 Y111 Y115 N277 A278 L279 L283 D284 Y285N88-R281 PolarHBondContact ND2-NH2 3.03Å; Y111-R281 HydrophobicContact CE2-CG 4.22Å; Y115-R281 HydrophobicContact CE2-CG 4.07Å; Y115-R281 WeakPolarHBondContact OH-CD 3.4Å; N277-R281 VanDerWaalsContact O-CB 3.27Å; N277-R281 WeakPolarHBondContact O-CB 3.35Å; N277-R281 PolarHBondContact O-N 3.44Å; A278-R281 PolarHBondContact O-N 3.38Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 2.96Å; R281-L283 VanDerWaalsContact C-N 3.3Å; R281-L283 PolarHBondContact O-N 3.32Å; R281-D284 WeakPolarHBondContact O-CB 3.46Å; R281-D284 PolarHBondContact O-N 2.87Å; R281-Y285 HydrophobicContact CG-CE2 4.45Å; R281-Y285 VanDerWaalsContact O-CD2 3.3Å; R281-Y285 WeakPolarHBondContact O-CD2 3.44Å; R281-Y285 PolarHBondContact O-N 2.82Å
282F93.2Very high88.9Confident0 Ų047.9 Ų47.90%026%0.26CS..Hα-helixtrans-63-37.7175.4177.4-97.5000112.3I91 I93 L104 V107 I108 Y111 I120 F143 A278 L279 R280 D284 Y285 C286I91-F282 HydrophobicContact CD1-CB 3.56Å; I91-F282 HydrophobicContact CD1-CG 4.15Å; I93-F282 HydrophobicContact CD1-CD1 4.11Å; I93-F282 HydrophobicContact CD1-CE1 3.37Å; I93-F282 HydrophobicContact CD1-CE2 3.86Å; I93-F282 HydrophobicContact CD1-CZ 3.24Å; I93-F282 HydrophobicContact CG1-CE1 4.2Å; I93-F282 HydrophobicContact CG1-CZ 4.48Å; L104-F282 HydrophobicContact CD2-CZ 4.32Å; V107-F282 HydrophobicContact CG1-CE2 4.32Å; V107-F282 HydrophobicContact CG1-CZ 4.35Å; I108-F282 HydrophobicContact CG1-CE2 4.08Å; I108-F282 HydrophobicContact CG1-CZ 4.31Å; Y111-F282 HydrophobicContact CD1-CD2 4.49Å; Y111-F282 HydrophobicContact CD2-CB 4.2Å; Y111-F282 AromaticContact CD2-CD2 3.81Å; Y111-F282 HydrophobicContact CD2-CD2 3.81Å; Y111-F282 HydrophobicContact CE2-CB 3.83Å; Y111-F282 HydrophobicContact CE2-CD2 4.14Å; Y111-F282 AromaticContact CG-CD2 3.96Å; Y111-F282 HydrophobicContact CG-CD2 3.96Å; I120-F282 HydrophobicContact CD1-CD2 3.88Å; I120-F282 HydrophobicContact CD1-CE2 3.89Å; F143-F282 HydrophobicContact CE2-CE1 4.28Å; F143-F282 HydrophobicContact CZ-CE1 4.16Å; A278-F282 PolarHBondContact O-N 2.93Å; L279-F282 PolarHBondContact O-N 3.24Å; R280-F282 PolarHBondContact O-N 3.24Å; F282-D284 VanDerWaalsContact C-N 3.27Å; F282-D284 PolarHBondContact O-N 3.32Å; F282-Y285 WeakPolarHBondContact O-CB 3.21Å; F282-Y285 PolarHBondContact O-N 3.14Å; F282-Y285 VanDerWaalsContact O-N 3.11Å; F282-C286 WeakPolarHBondContact CE1-SG 3.45Å; F282-C286 PolarHBondContact O-N 3.27Å; F282-C286 PolarHBondContact O-SG 3.49Å
283L94.5Very high87.6Confident28 Ų2858 Ų5815%0.14730%0.296CS..Hα-helixtrans-60.7-33.6175-80.5171.4000112.9I141 L279 R280 R281 Y285 C286 D287I141-L283 HydrophobicContact CD1-CD1 4.4Å; I141-L283 HydrophobicContact CD1-CD2 3.21Å; I141-L283 HydrophobicContact CD1-CG 4.01Å; L279-L283 HydrophobicContact CD1-CG 4.47Å; L279-L283 HydrophobicContact CG-CD1 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.46Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.22Å; R280-L283 VanDerWaalsContact O-CB 3.3Å; R280-L283 WeakPolarHBondContact O-CB 3.32Å; R280-L283 PolarHBondContact O-N 3.06Å; R280-L283 VanDerWaalsContact O-N 3.13Å; R281-L283 VanDerWaalsContact C-N 3.3Å; R281-L283 PolarHBondContact O-N 3.32Å; L283-Y285 VanDerWaalsContact C-N 3.33Å; L283-Y285 PolarHBondContact O-N 3.04Å; L283-C286 CarbonylContact O-C 3.5Å; L283-C286 WeakPolarHBondContact O-CA 3.31Å; L283-C286 VanDerWaalsContact O-CB 3.3Å; L283-C286 WeakPolarHBondContact O-CB 3.39Å; L283-C286 PolarHBondContact O-N 3.34Å; L283-C286 VanDerWaalsContact O-N 3.09Å; L283-D287 PolarHBondContact O-N 3.32Å
284D94.2Very high87.3Confident108 Ų10859.9 Ų59.958%0.57831%0.306SS*.Hα-helixtrans-65.4-35.5174.2-59.8-29.5000111.9R280 R281 F282 C286 D287 N290R280-D284 PolarHBondContact O-N 3.02Å; R280-D284 VanDerWaalsContact O-N 3.09Å; R281-D284 WeakPolarHBondContact O-CB 3.46Å; R281-D284 PolarHBondContact O-N 2.87Å; F282-D284 VanDerWaalsContact C-N 3.27Å; F282-D284 PolarHBondContact O-N 3.32Å; D284-C286 PolarHBondContact O-N 2.87Å; D284-D287 WeakPolarHBondContact O-CB 3.43Å; D284-D287 PolarHBondContact O-N 2.85Å; D284-D287 VanDerWaalsContact O-N 3.07Å; D284-N290 PolarHBondContact O-ND2 2.93Å
285Y94.5Very high87.2Confident32 Ų3261.3 Ų61.313%0.12531%0.314CS..Hα-helixtrans-67.3-25.1173.8-79.7-108000112.3R110 Y111 D114 Y115 R281 F282 L283 D287R110-Y285 HydrophobicContact CB-CD1 3.89Å; R110-Y285 HydrophobicContact CB-CE1 4.1Å; R110-Y285 PolarHBondContact NH1-O 2.88Å; R110-Y285 PolarHBondContact NH2-O 3.34Å; Y111-Y285 AromaticContact CD2-CD2 3.88Å; Y111-Y285 HydrophobicContact CD2-CD2 3.88Å; Y111-Y285 HydrophobicContact CD2-CE2 4.1Å; Y111-Y285 HydrophobicContact CD2-CG 4.16Å; D114-Y285 VanDerWaalsContact CB-OH 3.27Å; D114-Y285 WeakPolarHBondContact CB-OH 3.37Å; D114-Y285 VanDerWaalsContact CG-OH 3.24Å; D114-Y285 WeakPolarHBondContact OD2-CE1 3.45Å; D114-Y285 VanDerWaalsContact OD2-CZ 3.29Å; D114-Y285 PolarHBondContact OD2-OH 2.85Å; Y115-Y285 HydrophobicContact CE2-CE2 4.01Å; Y115-Y285 WeakPolarHBondContact CE2-OH 3.37Å; R281-Y285 HydrophobicContact CG-CE2 4.45Å; R281-Y285 VanDerWaalsContact O-CD2 3.3Å; R281-Y285 WeakPolarHBondContact O-CD2 3.44Å; R281-Y285 PolarHBondContact O-N 2.82Å; F282-Y285 WeakPolarHBondContact O-CB 3.21Å; F282-Y285 PolarHBondContact O-N 3.14Å; F282-Y285 VanDerWaalsContact O-N 3.11Å; L283-Y285 VanDerWaalsContact C-N 3.33Å; L283-Y285 PolarHBondContact O-N 3.04Å; Y285-D287 VanDerWaalsContact C-N 3.3Å
286C95.5Very high87Confident0 Ų062.3 Ų62.30%032%0.319CS..THydrogen-bonded Turntrans-84.16.3174.2-55.90000112.6W158 F282 L283 D284W158-C286 HydrophobicContact CZ2-CB 4.06Å; W158-C286 PolarHBondContact NE1-O 3.07Å; F282-C286 WeakPolarHBondContact CE1-SG 3.45Å; F282-C286 PolarHBondContact O-N 3.27Å; F282-C286 PolarHBondContact O-SG 3.49Å; L283-C286 CarbonylContact O-C 3.5Å; L283-C286 WeakPolarHBondContact O-CA 3.31Å; L283-C286 VanDerWaalsContact O-CB 3.3Å; L283-C286 WeakPolarHBondContact O-CB 3.39Å; L283-C286 PolarHBondContact O-N 3.34Å; L283-C286 VanDerWaalsContact O-N 3.09Å; D284-C286 PolarHBondContact O-N 2.87Å
287D92Very high87Confident74 Ų7464.4 Ų64.440%0.39633%0.326SS..  trans-53.5134.1173.9-169.8-64.5000110.3L283 D284 Y285 A289 N290 V291L283-D287 PolarHBondContact O-N 3.32Å; D284-D287 WeakPolarHBondContact O-CB 3.43Å; D284-D287 PolarHBondContact O-N 2.85Å; D284-D287 VanDerWaalsContact O-N 3.07Å; Y285-D287 VanDerWaalsContact C-N 3.3Å; D287-A289 PolarHBondContact O-N 3Å; D287-A289 VanDerWaalsContact O-N 3.09Å; D287-A289 VanDerWaalsContact OD1-CB 3.25Å; D287-A289 WeakPolarHBondContact OD1-CB 3.21Å; D287-A289 PolarHBondContact OD1-N 2.79Å; D287-N290 HydrophobicContact CB-CB 4.44Å; D287-N290 WeakPolarHBondContact O-CA 3.31Å; D287-N290 WeakPolarHBondContact O-CB 3.49Å; D287-N290 PolarHBondContact O-N 3.46Å; D287-V291 PolarHBondContact O-N 2.7Å
288P87.5Confident87Confident56 Ų5662.7 Ų62.736%0.36432%0.316SS..G310 helixtrans-51.3-31.4177.4-30.238.4000114.7W158 L159 N290 V291W158-P288 WeakPolarHBondContact O-CG 3.48Å; L159-P288 HydrophobicContact CD2-CB 3.87Å; L159-P288 HydrophobicContact CD2-CG 4.34Å; P288-N290 PolarHBondContact O-N 3.27Å; P288-V291 PolarHBondContact O-N 3.09Å
289A85.4Confident87.1Confident89 Ų8966.5 Ų66.574%0.73634%0.335SS*.G310 helixtrans-66.6-20.9175.300000113.1D287D287-A289 PolarHBondContact O-N 3Å; D287-A289 VanDerWaalsContact O-N 3.09Å; D287-A289 VanDerWaalsContact OD1-CB 3.25Å; D287-A289 WeakPolarHBondContact OD1-CB 3.21Å; D287-A289 PolarHBondContact OD1-N 2.79Å
290N81.2Confident86.8Confident78 Ų7871.2 Ų71.242%0.41736%0.358SS..G310 helixtrans-100.5-3.4-178.1-66.2-32.5000113.6R110 D284 D287 P288R110-N290 PolarHBondContact NH1-O 3.39Å; R110-N290 VanDerWaalsContact NH1-O 3.1Å; D284-N290 PolarHBondContact O-ND2 2.93Å; D287-N290 HydrophobicContact CB-CB 4.44Å; D287-N290 WeakPolarHBondContact O-CA 3.31Å; D287-N290 WeakPolarHBondContact O-CB 3.49Å; D287-N290 PolarHBondContact O-N 3.46Å; P288-N290 PolarHBondContact O-N 3.27Å
291V79.5Confident86.4Confident13 Ų1368.1 Ų68.18%0.07935%0.353CS..SBendtrans-98.3126-178.9-176.90000110I103 V107 W158 L159 D287 P288 R293I103-V291 HydrophobicContact CG2-CG1 3.48Å; I103-V291 VanDerWaalsContact CG2-CG1 3.48Å; V107-V291 HydrophobicContact CG2-CG2 4.11Å; W158-V291 HydrophobicContact CZ2-CG2 3.9Å; L159-V291 HydrophobicContact CD1-CB 4.22Å; L159-V291 HydrophobicContact CD1-CG1 3.73Å; L159-V291 HydrophobicContact CD1-CG2 4.3Å; L159-V291 HydrophobicContact CD2-CB 4.11Å; L159-V291 HydrophobicContact CD2-CG1 4.41Å; L159-V291 HydrophobicContact CD2-CG2 4.38Å; D287-V291 PolarHBondContact O-N 2.7Å; P288-V291 PolarHBondContact O-N 3.09Å; V291-R293 PolarHBondContact O-N 3.15Å
292P69.1Low85.9Confident79 Ų7969.5 Ų69.551%0.51337%0.367SS..  trans-56.3134.8174.7-2433.3000112.2A106 R240A106-P292 HydrophobicContact CB-CG 4.42Å; R240-P292 PolarHBondContact NH1-O 3.49Å; R240-P292 VanDerWaalsContact NH1-O 3.09Å
293R64.8Low85.3Confident277 Ų27775.8 Ų75.8100%1.04540%0.4SS*.  trans-67.60176.3-74-169.6179.3-160.6-0.8112R240 V291R240-R293 PolarHBondContact NH1-OXT 2.94Å; R240-R293 PolarHBondContact NH2-OXT 3.34Å; V291-R293 PolarHBondContact O-N 3.15Å

Retrieved 293 of 293 residues in 343.6 ms (Link to these results)

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