A0A096M8P4_POEFO Loading...

Protein odr-4 homolog

May play a role in the trafficking of a subset of G-protein coupled receptors.

AlphaFold DB , UniProt , Accession A0A096M8P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 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
1M56.2Low89.5Confident246 Ų24646.9 Ų46.9100%1.21226%0.259SS*.  01430-64.5-174.3-145.600107.3
2G77.8Confident90Very high47 Ų4750.1 Ų50.149%0.48527%0.27SS..  trans-69.4163.1-179.900000112.8P155G2-P155 VanDerWaalsContact CA-O 3.25Å; G2-P155 WeakPolarHBondContact CA-O 3.42Å
3R91.1Very high90.3Very high37 Ų3749.6 Ų49.614%0.1429%0.285CS..  trans-68.6161.1170.7-64.4-172.770.8847110.9Y5 T35 D39 D126 T143 A156 D157R3-Y5 HydrophobicContact CB-CE2 3.94Å; R3-T35 PolarHBondContact NH2-O 2.82Å; R3-D39 IonicContact CZ-OD1 2.76Å; R3-D39 IonicContact CZ-OD2 3.96Å; R3-D39 IonicContact NE-OD1 2.72Å; R3-D39 IonicContact NE-OD2 2.77Å; R3-D39 PolarHBondContact NE-OD2 2.69Å; R3-D39 IonicContact NH2-OD1 3.2Å; R3-D39 PolarHBondContact NH2-OD1 2.71Å; R3-D39 IonicContact NH2-OD2 2.97Å; R3-D39 PolarHBondContact NH2-OD2 2.79Å; R3-D126 WeakPolarHBondContact CD-OD2 3.28Å; R3-D126 HydrophobicContact CG-CB 4.44Å; R3-D126 IonicContact NH1-OD2 2.85Å; R3-T143 HydrophobicContact CB-CG2 4.33Å; R3-A156 HydrophobicContact CB-CB 4.47Å; R3-A156 CarbonylContact O-C 3.55Å; R3-A156 VanDerWaalsContact O-CA 3.28Å; R3-A156 WeakPolarHBondContact O-CA 3.48Å; R3-A156 VanDerWaalsContact O-CB 3.3Å; R3-A156 WeakPolarHBondContact O-CB 3.37Å; R3-D157 PolarHBondContact O-N 3.5Å
4S94.6Very high90.7Very high14 Ų1448.9 Ų48.910%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-124129.2174.4-175.10000110.3R38 D39S4-R38 WeakPolarHBondContact O-CA 3.45Å; S4-D39 PolarHBondContact O-N 3.13Å
5Y96.3Very high91Very high1 Ų145.9 Ų45.90%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-105.1124.5176.6-66-95.3000109.1R3 D39 V41 V128 T143 A156 D157 W158 K159R3-Y5 HydrophobicContact CB-CE2 3.94Å; Y5-D39 CarbonylContact C-O 3.59Å; Y5-D39 WeakPolarHBondContact CA-O 3.48Å; Y5-D39 HydrophobicContact CD1-CB 3.56Å; Y5-D39 HydrophobicContact CE1-CB 3.49Å; Y5-D39 VanDerWaalsContact CE1-CB 3.49Å; Y5-D39 WeakPolarHBondContact CE1-OD2 3.18Å; Y5-D39 HydrophobicContact CG-CB 4.39Å; Y5-D39 PolarHBondContact OH-OD2 2.84Å; Y5-V41 HydrophobicContact CD1-CG2 4Å; Y5-V128 HydrophobicContact CD1-CB 4.31Å; Y5-V128 HydrophobicContact CD1-CG1 4.22Å; Y5-V128 HydrophobicContact CD1-CG2 4.42Å; Y5-V128 HydrophobicContact CD2-CG2 4.35Å; Y5-V128 HydrophobicContact CE1-CB 3.59Å; Y5-V128 HydrophobicContact CE1-CG1 3.62Å; Y5-V128 HydrophobicContact CE1-CG2 4.12Å; Y5-V128 HydrophobicContact CE2-CB 4.05Å; Y5-V128 HydrophobicContact CE2-CG2 4.05Å; Y5-V128 VanDerWaalsContact CZ-CB 3.48Å; Y5-T143 HydrophobicContact CE2-CG2 3.66Å; Y5-T143 VanDerWaalsContact OH-CG2 3.28Å; Y5-T143 WeakPolarHBondContact OH-CG2 3.3Å; Y5-A156 HydrophobicContact CD2-CB 4.1Å; Y5-A156 HydrophobicContact CE2-CB 3.88Å; Y5-D157 PolarHBondContact N-O 3.18Å; Y5-W158 HydrophobicContact CD1-CZ3 4.45Å; Y5-W158 HydrophobicContact CG-CE3 4.14Å; Y5-W158 HydrophobicContact CG-CZ3 4.24Å; Y5-K159 PolarHBondContact O-N 2.76Å
6I96.3Very high91.2Very high5 Ų547.3 Ų47.33%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-101.5123.9171.7-52.7-58.1000107D39 F40 V41 K159 Q161 V164I6-D39 PolarHBondContact N-O 2.88Å; I6-F40 HydrophobicContact CB-CD1 3.76Å; I6-F40 HydrophobicContact CB-CE1 3.88Å; I6-F40 HydrophobicContact CG1-CD1 4.31Å; I6-F40 HydrophobicContact CG1-CE1 3.94Å; I6-F40 HydrophobicContact CG2-CD1 4.19Å; I6-F40 HydrophobicContact CG2-CE1 4.27Å; I6-F40 CarbonylContact O-C 3.49Å; I6-F40 VanDerWaalsContact O-CA 3.3Å; I6-F40 WeakPolarHBondContact O-CA 3.39Å; I6-V41 PolarHBondContact O-N 3.02Å; I6-K159 CarbonylContact C-O 3.52Å; I6-K159 WeakPolarHBondContact CA-O 3.2Å; I6-K159 HydrophobicContact CD1-CB 4.3Å; I6-Q161 HydrophobicContact CG2-CB 3.72Å; I6-Q161 HydrophobicContact CG2-CG 4.41Å; I6-Q161 VanDerWaalsContact CG2-OE1 3.29Å; I6-V164 HydrophobicContact CG2-CG2 3.73Å
7V96.8Very high91.4Very high0 Ų050.9 Ų50.90%028%0.284CS..EExtended strand (participates in β ladder)trans-125.3129.9-162.5-175.70000109.3V11 V41 W158 K159 Y160 Q161V7-V11 HydrophobicContact CG1-CB 3.69Å; V7-V11 HydrophobicContact CG1-CG1 3.6Å; V7-V11 HydrophobicContact CG1-CG2 4.24Å; V7-V41 HydrophobicContact CB-CB 4.35Å; V7-V41 HydrophobicContact CG1-CB 4.08Å; V7-V41 HydrophobicContact CG1-CG1 4.31Å; V7-V41 HydrophobicContact CG2-CB 4.06Å; V7-V41 HydrophobicContact CG2-CG2 4.09Å; V7-W158 HydrophobicContact CB-CZ2 4.24Å; V7-W158 HydrophobicContact CG1-CH2 4.27Å; V7-W158 HydrophobicContact CG1-CZ2 3.71Å; V7-W158 HydrophobicContact CG2-CD2 3.76Å; V7-W158 HydrophobicContact CG2-CE3 3.94Å; V7-W158 HydrophobicContact CG2-CG 4.45Å; V7-W158 HydrophobicContact CG2-CH2 3.76Å; V7-W158 HydrophobicContact CG2-CZ2 3.59Å; V7-W158 HydrophobicContact CG2-CZ3 3.94Å; V7-K159 PolarHBondContact N-O 3.33Å; V7-Y160 HydrophobicContact CB-CD1 3.74Å; V7-Y160 HydrophobicContact CB-CE1 4.07Å; V7-Y160 HydrophobicContact CG1-CD1 3.65Å; V7-Y160 HydrophobicContact CG1-CE1 3.59Å; V7-Y160 CarbonylContact O-C 3.58Å; V7-Y160 VanDerWaalsContact O-CA 3.31Å; V7-Y160 WeakPolarHBondContact O-CA 3.22Å; V7-Q161 PolarHBondContact O-N 3.28Å
8E94.9Very high91.6Very high7 Ų748.5 Ų48.53%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-61.7143.2176.7-175.863.4-97.800111.5D10 V11 V41 G163 V164 C165 K334E8-D10 HydrophobicContact CG-CB 4.32Å; E8-D10 PolarHBondContact O-N 3.29Å; E8-V11 HydrophobicContact CB-CG2 4.42Å; E8-V11 VanDerWaalsContact O-CB 3.27Å; E8-V11 WeakPolarHBondContact O-CB 3.25Å; E8-V11 PolarHBondContact O-N 2.75Å; E8-V41 PolarHBondContact N-O 3.4Å; E8-G163 PolarHBondContact OE1-N 3.5Å; E8-V164 HydrophobicContact CB-CB 4.17Å; E8-V164 PolarHBondContact OE2-N 2.86Å; E8-C165 VanDerWaalsContact OE2-CB 3.3Å; E8-C165 WeakPolarHBondContact OE2-CB 3.19Å; E8-C165 PolarHBondContact OE2-N 3.06Å; E8-C165 PolarHBondContact OE2-SG 2.87Å; E8-C165 VanDerWaalsContact OE2-SG 3.39Å; E8-K334 IonicContact OE2-NZ 4Å
9D93.3Very high91.6Very high61 Ų6147.5 Ų47.533%0.32627%0.267SS..Hα-helixtrans-62.1-31.6-176-68.7-10.9000112.5V11 E12 G13 Q161 S162D9-V11 PolarHBondContact O-N 3.13Å; D9-E12 WeakPolarHBondContact O-CA 3.26Å; D9-E12 VanDerWaalsContact O-CB 3.25Å; D9-E12 WeakPolarHBondContact O-CB 3.42Å; D9-E12 PolarHBondContact O-N 3.36Å; D9-G13 PolarHBondContact O-N 3.29Å; D9-G13 VanDerWaalsContact O-N 3.11Å; D9-Q161 PolarHBondContact OD1-N 2.96Å; D9-S162 PolarHBondContact OD1-N 3.33Å; D9-S162 VanDerWaalsContact OD2-CA 3.26Å; D9-S162 WeakPolarHBondContact OD2-CA 3.43Å; D9-S162 WeakPolarHBondContact OD2-CB 3.27Å; D9-S162 PolarHBondContact OD2-N 3Å
10D92.4Very high91.5Very high95 Ų9549.9 Ų49.951%0.50829%0.287SS..Hα-helixtrans-61-28.8176.4-67.617.3000112.1E8 G13 Y14 K334E8-D10 HydrophobicContact CG-CB 4.32Å; E8-D10 PolarHBondContact O-N 3.29Å; D10-G13 PolarHBondContact O-N 3.1Å; D10-Y14 WeakPolarHBondContact O-CB 3.3Å; D10-Y14 PolarHBondContact O-N 3.45Å; D10-K334 IonicContact OD1-NZ 2.77Å; D10-K334 PolarHBondContact OD1-NZ 2.81Å; D10-K334 WeakPolarHBondContact OD2-CE 3.41Å; D10-K334 IonicContact OD2-NZ 3.89Å; D10-K334 PolarHBondContact OD2-NZ 2.86Å
11V95.4Very high91.1Very high3 Ų353 Ų532%0.01830%0.299CS..Hα-helixtrans-68.1-37.5173.7171.80000110.7V7 E8 D9 Y14 L15 V41 T44V7-V11 HydrophobicContact CG1-CB 3.69Å; V7-V11 HydrophobicContact CG1-CG1 3.6Å; V7-V11 HydrophobicContact CG1-CG2 4.24Å; E8-V11 HydrophobicContact CB-CG2 4.42Å; E8-V11 VanDerWaalsContact O-CB 3.27Å; E8-V11 WeakPolarHBondContact O-CB 3.25Å; E8-V11 PolarHBondContact O-N 2.75Å; D9-V11 PolarHBondContact O-N 3.13Å; V11-Y14 PolarHBondContact O-N 3.22Å; V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 HydrophobicContact CG1-CG 4.29Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.15Å; V11-L15 PolarHBondContact O-N 3.31Å; V11-V41 HydrophobicContact CG2-CG1 4.4Å; V11-T44 HydrophobicContact CB-CG2 4.29Å; V11-T44 HydrophobicContact CG1-CG2 3.34Å; V11-T44 HydrophobicContact CG2-CG2 4.04Å
12E94.5Very high92.1Very high85 Ų8543.6 Ų43.640%0.39725%0.253SS..Hα-helixtrans-61.9-46.7173.4-168.3175.8-167.300111D9 Y14 S16 Y160D9-E12 WeakPolarHBondContact O-CA 3.26Å; D9-E12 VanDerWaalsContact O-CB 3.25Å; D9-E12 WeakPolarHBondContact O-CB 3.42Å; D9-E12 PolarHBondContact O-N 3.36Å; E12-Y14 VanDerWaalsContact C-N 3.34Å; E12-Y14 PolarHBondContact O-N 2.54Å; E12-S16 VanDerWaalsContact O-CB 3.26Å; E12-S16 WeakPolarHBondContact O-CB 3.02Å; E12-S16 PolarHBondContact O-N 2.82Å; E12-S16 PolarHBondContact O-OG 3.38Å; E12-Y160 HydrophobicContact CB-CD1 3.67Å; E12-Y160 HydrophobicContact CB-CD2 4.35Å; E12-Y160 HydrophobicContact CB-CE1 3.49Å; E12-Y160 VanDerWaalsContact CB-CE1 3.49Å; E12-Y160 HydrophobicContact CB-CE2 4.21Å; E12-Y160 HydrophobicContact CB-CG 4.1Å; E12-Y160 HydrophobicContact CG-CD1 4.29Å; E12-Y160 HydrophobicContact CG-CD2 4.09Å; E12-Y160 HydrophobicContact CG-CE1 3.99Å; E12-Y160 HydrophobicContact CG-CE2 3.78Å; E12-Y160 HydrophobicContact CG-CG 4.33Å
13G94.2Very high91.9Very high44 Ų4446.3 Ų46.345%0.45427%0.271SS..Hα-helixtrans-59.9-44.1176.700000112.1D9 D10 S16 K17D9-G13 PolarHBondContact O-N 3.29Å; D9-G13 VanDerWaalsContact O-N 3.11Å; D10-G13 PolarHBondContact O-N 3.1Å; G13-S16 PolarHBondContact O-N 2.87Å; G13-K17 WeakPolarHBondContact O-CB 3.31Å; G13-K17 PolarHBondContact O-N 2.76Å
14Y95.5Very high91.5Very high39 Ų3945.7 Ų45.715%0.15328%0.276CS..Hα-helixtrans-63.1-52.1178-177.5-96.8000112.4D10 V11 E12 S16 K17 L18 T44 R46 D363D10-Y14 WeakPolarHBondContact O-CB 3.3Å; D10-Y14 PolarHBondContact O-N 3.45Å; V11-Y14 PolarHBondContact O-N 3.22Å; E12-Y14 VanDerWaalsContact C-N 3.34Å; E12-Y14 PolarHBondContact O-N 2.54Å; Y14-S16 VanDerWaalsContact C-N 3.28Å; Y14-S16 PolarHBondContact O-N 3Å; Y14-K17 WeakPolarHBondContact O-CB 3.31Å; Y14-K17 PolarHBondContact O-N 2.81Å; Y14-K17 VanDerWaalsContact O-N 3.13Å; Y14-L18 HydrophobicContact CD1-CD1 3.96Å; Y14-L18 HydrophobicContact CD1-CG 4.37Å; Y14-L18 HydrophobicContact CE1-CD1 3.37Å; Y14-L18 HydrophobicContact CE1-CG 4.01Å; Y14-L18 PolarHBondContact O-N 2.96Å; Y14-T44 WeakPolarHBondContact CD1-OG1 3.46Å; Y14-T44 WeakPolarHBondContact CE1-O 3.3Å; Y14-R46 WeakPolarHBondContact OH-CB 3.27Å; Y14-R46 WeakPolarHBondContact OH-CG 3.33Å; Y14-R46 PolarHBondContact OH-N 3.19Å; Y14-R46 VanDerWaalsContact OH-N 3.08Å; Y14-D363 HydrophobicContact CE2-CB 4.31Å; Y14-D363 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D363 WeakPolarHBondContact CE2-OD2 3.46Å; Y14-D363 WeakPolarHBondContact OH-CB 3.15Å; Y14-D363 PolarHBondContact OH-OD2 3.27Å
15L95.9Very high91.2Very high5 Ų547.1 Ų47.13%0.02629%0.285CS..Hα-helixtrans-60.9-38.8178.1-68.8173.1000111.6V11 L18 C19 F86 I88 L130V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 HydrophobicContact CG1-CG 4.29Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.15Å; V11-L15 PolarHBondContact O-N 3.31Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 2.82Å; L15-F86 HydrophobicContact CD2-CD1 4.41Å; L15-F86 HydrophobicContact CD2-CD2 4.02Å; L15-F86 HydrophobicContact CD2-CE1 4.36Å; L15-F86 HydrophobicContact CD2-CE2 4Å; L15-F86 HydrophobicContact CD2-CG 4.23Å; L15-F86 HydrophobicContact CD2-CZ 4.16Å; L15-I88 HydrophobicContact CD2-CD1 4.17Å; L15-L130 HydrophobicContact CD1-CD2 3.77Å
16S94.5Very high91.1Very high68 Ų6848.6 Ų48.648%0.47629%0.294SS..Hα-helixtrans-64.4-40.1175.7-61.70000112.4E12 G13 Y14 C19 S20E12-S16 VanDerWaalsContact O-CB 3.26Å; E12-S16 WeakPolarHBondContact O-CB 3.02Å; E12-S16 PolarHBondContact O-N 2.82Å; E12-S16 PolarHBondContact O-OG 3.38Å; G13-S16 PolarHBondContact O-N 2.87Å; Y14-S16 VanDerWaalsContact C-N 3.28Å; Y14-S16 PolarHBondContact O-N 3Å; S16-C19 WeakPolarHBondContact O-CB 3.39Å; S16-C19 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-N 3.12Å
17K94.8Very high91.1Very high109 Ų10949.1 Ų49.147%0.47430%0.298SS..Hα-helixtrans-60.8-48.6174-178.1-176.9174.7-171.60110.1G13 Y14 C19 S20 Q21G13-K17 WeakPolarHBondContact O-CB 3.31Å; G13-K17 PolarHBondContact O-N 2.76Å; Y14-K17 WeakPolarHBondContact O-CB 3.31Å; Y14-K17 PolarHBondContact O-N 2.81Å; Y14-K17 VanDerWaalsContact O-N 3.13Å; K17-C19 VanDerWaalsContact C-N 3.31Å; K17-C19 PolarHBondContact O-N 3.48Å; K17-S20 PolarHBondContact O-N 2.9Å; K17-S20 PolarHBondContact O-OG 2.9Å; K17-Q21 PolarHBondContact O-N 2.85Å
18L93.9Very high91.1Very high7 Ų749.1 Ų49.14%0.03730%0.298CS..Hα-helixtrans-58.5-42.1177-66.6-177.8000112.1Y14 L15 S20 Q21 L22 V26 R46 F86 I88Y14-L18 HydrophobicContact CD1-CD1 3.96Å; Y14-L18 HydrophobicContact CD1-CG 4.37Å; Y14-L18 HydrophobicContact CE1-CD1 3.37Å; Y14-L18 HydrophobicContact CE1-CG 4.01Å; Y14-L18 PolarHBondContact O-N 2.96Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-S20 PolarHBondContact O-N 3.34Å; L18-S20 VanDerWaalsContact O-N 3.16Å; L18-Q21 PolarHBondContact O-N 2.72Å; L18-Q21 VanDerWaalsContact O-N 3.08Å; L18-L22 WeakPolarHBondContact O-CD1 3.4Å; L18-V26 HydrophobicContact CD1-CG1 4.26Å; L18-R46 HydrophobicContact CD1-CB 4.25Å; L18-F86 HydrophobicContact CD1-CE2 4.03Å; L18-F86 HydrophobicContact CD1-CZ 3.94Å; L18-I88 HydrophobicContact CB-CD1 3.56Å; L18-I88 HydrophobicContact CD1-CD1 3.99Å; L18-I88 HydrophobicContact CG-CD1 4.46Å
19C93.1Very high91.3Very high30 Ų3048.8 Ų48.820%0.20330%0.296CS..Hα-helixtrans-56.7-29.8175.5-72.60000113.8L15 S16 K17 I88 P134L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 2.82Å; S16-C19 WeakPolarHBondContact O-CB 3.39Å; S16-C19 PolarHBondContact O-N 2.84Å; K17-C19 VanDerWaalsContact C-N 3.31Å; K17-C19 PolarHBondContact O-N 3.48Å; C19-I88 VanDerWaalsContact SG-CG2 3.6Å; C19-P134 HydrophobicContact CB-CB 3.99Å
20S88.6Confident91.5Very high95 Ų9545.9 Ų45.966%0.66428%0.281SS*.Hα-helixtrans-84.6-13.5-179.965.80000114.3S16 K17 L18S16-S20 PolarHBondContact O-N 3.12Å; K17-S20 PolarHBondContact O-N 2.9Å; K17-S20 PolarHBondContact O-OG 2.9Å; L18-S20 PolarHBondContact O-N 3.34Å; L18-S20 VanDerWaalsContact O-N 3.16Å
21Q83.1Confident91.8Very high115 Ų11541.4 Ų41.454%0.53726%0.257SS..THydrogen-bonded Turntrans-109.219.7-174.4-63.6179.6-20.700112.8K17 L18 A23K17-Q21 PolarHBondContact O-N 2.85Å; L18-Q21 PolarHBondContact O-N 2.72Å; L18-Q21 VanDerWaalsContact O-N 3.08Å; Q21-A23 PolarHBondContact O-N 3.42Å
22L76.7Confident91.9Very high48 Ų4841.3 Ų41.325%0.25126%0.256SS..  trans-70120.6-170.9-116.998.8000113.2L18 G24 V26 I88 P134L18-L22 WeakPolarHBondContact O-CD1 3.4Å; L22-G24 WeakPolarHBondContact CD2-O 3.25Å; L22-G24 WeakPolarHBondContact CG-O 3.37Å; L22-V26 HydrophobicContact CD1-CG2 4.34Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-I88 HydrophobicContact CD1-CB 4.3Å; L22-I88 HydrophobicContact CD1-CG2 3.53Å; L22-P134 HydrophobicContact CD1-CG 4.32Å; L22-P134 HydrophobicContact CD2-CG 4.27Å
23A74.5Confident91.9Very high104 Ų10437.5 Ų37.586%0.8624%0.238SC*.SBendtrans-105.5-10.9162.400000112.9Q21Q21-A23 PolarHBondContact O-N 3.42Å
24G83.1Confident91.9Very high25 Ų2537.4 Ų37.426%0.25823%0.23SC..SBendtrans-178.6-176.3-175.100000110.8L22 V26L22-G24 WeakPolarHBondContact CD2-O 3.25Å; L22-G24 WeakPolarHBondContact CG-O 3.37Å; G24-V26 PolarHBondContact O-N 2.68Å
25P88.4Confident91.5Very high44 Ų4437.3 Ų37.329%0.28623%0.234SC..  trans-62.5126.9176.127.4-32.9000110.6K58 V60 I88P25-K58 WeakPolarHBondContact CD-O 3.44Å; P25-K58 VanDerWaalsContact CG-O 3.23Å; P25-K58 WeakPolarHBondContact CG-O 3.44Å; P25-V60 HydrophobicContact CB-CG2 4.48Å; P25-I88 WeakPolarHBondContact CA-O 3.25Å
26V93.5Very high90.8Very high31 Ų3142.7 Ų42.719%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-100.8130.1176-177.60000108.3L18 L22 G24 R46 F86 I87 I88L18-V26 HydrophobicContact CD1-CG1 4.26Å; L22-V26 HydrophobicContact CD1-CG2 4.34Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; G24-V26 PolarHBondContact O-N 2.68Å; V26-R46 HydrophobicContact CG1-CB 4.24Å; V26-F86 HydrophobicContact CG1-CE2 4.45Å; V26-I87 CarbonylContact O-C 3.52Å; V26-I87 VanDerWaalsContact O-CA 3.29Å; V26-I87 WeakPolarHBondContact O-CA 3.48Å; V26-I88 HydrophobicContact CB-CB 4.26Å; V26-I88 PolarHBondContact N-O 3.28Å; V26-I88 PolarHBondContact O-N 2.94Å
27T95.8Very high90.2Very high17 Ų1747.4 Ų47.410%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-112.4163.4171.958.20000110.3T47 V60 V65 F86 I87 L103T27-T47 PolarHBondContact O-N 3.11Å; T27-T47 PolarHBondContact OG1-OG1 2.75Å; T27-V60 HydrophobicContact CG2-CB 4.48Å; T27-V60 HydrophobicContact CG2-CG1 3.89Å; T27-V60 HydrophobicContact CG2-CG2 3.82Å; T27-V65 WeakPolarHBondContact OG1-CG2 3.44Å; T27-F86 WeakPolarHBondContact CA-O 3.35Å; T27-I87 HydrophobicContact CG2-CB 4.39Å; T27-I87 HydrophobicContact CG2-CD1 4.28Å; T27-I87 HydrophobicContact CG2-CG1 3.98Å; T27-L103 HydrophobicContact CG2-CD1 4.48Å
28G97.2Very high90Very high0 Ų048.1 Ų48.10%028%0.281CS..EExtended strand (participates in β ladder)trans-179-172.8175.400000112.7T45 V85 F86G28-T45 CarbonylContact C-O 3.58Å; G28-T45 WeakPolarHBondContact CA-O 3.25Å; G28-V85 CarbonylContact O-C 3.46Å; G28-V85 VanDerWaalsContact O-CA 3.27Å; G28-V85 WeakPolarHBondContact O-CA 3.05Å; G28-F86 VanDerWaalsContact C-CD1 3.41Å; G28-F86 VanDerWaalsContact C-CE1 3.4Å; G28-F86 PolarHBondContact N-O 3.43Å; G28-F86 VanDerWaalsContact N-O 3.09Å; G28-F86 PolarHBondContact O-N 2.98Å
29L98.6Very high90Very high0 Ų047.8 Ų47.80%028%0.279CS..EExtended strand (participates in β ladder)trans-114.1146.1-170.6-51.1175.4000110.9T44 T45 V65 A69 V72 V82 V85L29-T44 VanDerWaalsContact O-CA 3.27Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; L29-T45 HydrophobicContact CB-CG2 3.94Å; L29-T45 HydrophobicContact CD1-CG2 4.19Å; L29-T45 HydrophobicContact CG-CG2 4.31Å; L29-T45 PolarHBondContact N-O 3.3Å; L29-T45 PolarHBondContact O-N 2.91Å; L29-V65 HydrophobicContact CD2-CG1 4.5Å; L29-A69 HydrophobicContact CD1-CB 3.91Å; L29-A69 HydrophobicContact CD2-CB 3.71Å; L29-A69 HydrophobicContact CG-CB 4.48Å; L29-V72 HydrophobicContact CD1-CB 3.82Å; L29-V72 HydrophobicContact CD1-CG1 3.99Å; L29-V72 HydrophobicContact CD1-CG2 3.88Å; L29-V82 HydrophobicContact CB-CG1 4.37Å; L29-V82 HydrophobicContact CD2-CG1 4.29Å; L29-V85 HydrophobicContact CD2-CG1 4.08Å
30L98.5Very high90.1Very high0 Ų047.6 Ų47.60%028%0.275CS..EExtended strand (participates in β ladder)trans-106121.3173.1-58.7174.8000108.2V41 T44 V82 L83 G84 F86 V128 L130 W158L30-V41 HydrophobicContact CB-CG1 4.46Å; L30-T44 HydrophobicContact CD2-CG2 3.3Å; L30-V82 CarbonylContact O-C 3.56Å; L30-L83 PolarHBondContact O-N 2.94Å; L30-G84 PolarHBondContact N-O 2.83Å; L30-F86 HydrophobicContact CD2-CB 4.22Å; L30-F86 HydrophobicContact CD2-CD1 3.8Å; L30-F86 HydrophobicContact CD2-CG 4.43Å; L30-F86 HydrophobicContact CG-CB 4.43Å; L30-F86 HydrophobicContact CG-CD1 4.29Å; L30-V128 HydrophobicContact CB-CG1 4.32Å; L30-V128 HydrophobicContact CD1-CB 4.4Å; L30-V128 HydrophobicContact CD1-CG1 3.56Å; L30-V128 HydrophobicContact CD1-CG2 4.07Å; L30-L130 HydrophobicContact CD1-CB 4.02Å; L30-W158 HydrophobicContact CD1-CH2 4.04Å; L30-W158 HydrophobicContact CD1-CZ3 4.14Å; L30-W158 HydrophobicContact CD2-CH2 4.04Å
31I98.4Very high90.5Very high1 Ų143.1 Ų43.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-116.9138.9-172.1-63.6161.4000110.1V42 M43 T45 V72 L76 S81 L362I31-V42 WeakPolarHBondContact O-CG2 3.43Å; I31-V42 PolarHBondContact O-N 3.33Å; I31-M43 HydrophobicContact CB-CB 4.36Å; I31-M43 HydrophobicContact CB-CE 4.43Å; I31-M43 HydrophobicContact CD1-CE 3.39Å; I31-M43 HydrophobicContact CG2-CE 4.29Å; I31-M43 PolarHBondContact N-O 2.8Å; I31-M43 PolarHBondContact O-N 2.96Å; I31-T45 HydrophobicContact CD1-CG2 3.95Å; I31-V72 HydrophobicContact CD1-CG1 3.69Å; I31-V72 HydrophobicContact CG1-CG1 4.33Å; I31-L76 HydrophobicContact CD1-CD2 4.47Å; I31-L76 HydrophobicContact CG1-CD1 4.38Å; I31-L76 HydrophobicContact CG2-CD1 3.84Å; I31-L76 HydrophobicContact CG2-CD2 3.63Å; I31-L76 HydrophobicContact CG2-CG 4.4Å; I31-S81 WeakPolarHBondContact CA-O 3.32Å; I31-L362 HydrophobicContact CD1-CD2 4.22Å
32G97.1Very high91.2Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans164.5-145.4171.400000113.7F40 L80 S81G32-F40 CarbonylContact C-O 3.56Å; G32-F40 VanDerWaalsContact CA-O 3.24Å; G32-F40 WeakPolarHBondContact CA-O 3.36Å; G32-L80 CarbonylContact O-C 3.55Å; G32-L80 WeakPolarHBondContact O-CA 3.44Å; G32-S81 PolarHBondContact N-O 2.86Å; G32-S81 PolarHBondContact O-N 3.06Å; G32-S81 PolarHBondContact O-OG 3.49Å
33Q95.8Very high92.1Very high6 Ų636.4 Ų36.43%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-122.9127.7-173.8-177.5163.7101.600111.8F40 G79 W168 F273Q33-F40 PolarHBondContact N-O 2.62Å; Q33-F40 PolarHBondContact O-N 3.4Å; Q33-G79 VanDerWaalsContact CB-O 3.26Å; Q33-G79 WeakPolarHBondContact CB-O 3.41Å; Q33-G79 WeakPolarHBondContact CG-O 3.21Å; Q33-G79 PolarHBondContact NE2-O 3.35Å; Q33-W168 HydrophobicContact CB-CH2 3.53Å; Q33-W168 HydrophobicContact CB-CZ3 3.87Å; Q33-W168 HydrophobicContact CG-CZ3 4.48Å; Q33-F273 PolarHBondContact NE2-O 2.89Å
34S92.7Very high93.1Very high41 Ų4131.7 Ų31.729%0.28717%0.172SC..EExtended strand (participates in β ladder)trans-83.1142170.5-60.20000111.8D39 L83S34-D39 WeakPolarHBondContact CA-OD1 3.47Å; S34-D39 WeakPolarHBondContact CB-OD1 3.22Å; S34-L83 WeakPolarHBondContact OG-CD2 3.35Å
35T87.4Confident93.8Very high37 Ų3730.5 Ų30.523%0.22716%0.16CC..  trans-131.7169.7167.382.40000111R3 Q37 R38 D39 F40 V124R3-T35 PolarHBondContact NH2-O 2.82Å; T35-Q37 PolarHBondContact O-N 3.2Å; T35-Q37 PolarHBondContact OG1-N 3.35Å; T35-R38 VanDerWaalsContact CB-O 3.31Å; T35-R38 WeakPolarHBondContact CB-O 3.47Å; T35-R38 PolarHBondContact N-O 3.26Å; T35-R38 VanDerWaalsContact N-O 3.12Å; T35-R38 PolarHBondContact OG1-N 2.98Å; T35-R38 PolarHBondContact OG1-O 3.16Å; T35-D39 PolarHBondContact N-OD1 2.96Å; T35-D39 VanDerWaalsContact N-OD1 3.17Å; T35-F40 HydrophobicContact CG2-CD2 4.11Å; T35-F40 HydrophobicContact CG2-CE2 3.82Å; T35-V124 WeakPolarHBondContact O-CG2 3.33Å
36V82.4Confident94.2Very high118 Ų11833.2 Ų33.272%0.71516%0.164SC*.SBendtrans-59.1-33.2179.9-1790000112
37Q80.8Confident94.3Very high168 Ų16832.4 Ų32.479%0.78516%0.159SC*.SBendtrans-101-40.3-174.6-66.1-174-5.400113.9T35T35-Q37 PolarHBondContact O-N 3.2Å; T35-Q37 PolarHBondContact OG1-N 3.35Å
38R90.3Very high94.1Very high123 Ų12332.7 Ų32.746%0.46416%0.162SC..  trans-150.8155.4-172.5-57.8-173-172.1-172.52.2110.4S4 T35 F40S4-R38 WeakPolarHBondContact O-CA 3.45Å; T35-R38 VanDerWaalsContact CB-O 3.31Å; T35-R38 WeakPolarHBondContact CB-O 3.47Å; T35-R38 PolarHBondContact N-O 3.26Å; T35-R38 VanDerWaalsContact N-O 3.12Å; T35-R38 PolarHBondContact OG1-N 2.98Å; T35-R38 PolarHBondContact OG1-O 3.16Å; R38-F40 HydrophobicContact CB-CE2 4.48Å; R38-F40 HydrophobicContact CB-CZ 4.28Å
39D94.4Very high93.5Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-111.6147.5175.1-54.1-46.8000109.8R3 S4 Y5 I6 S34 T35 L83R3-D39 IonicContact CZ-OD1 2.76Å; R3-D39 IonicContact CZ-OD2 3.96Å; R3-D39 IonicContact NE-OD1 2.72Å; R3-D39 IonicContact NE-OD2 2.77Å; R3-D39 PolarHBondContact NE-OD2 2.69Å; R3-D39 IonicContact NH2-OD1 3.2Å; R3-D39 PolarHBondContact NH2-OD1 2.71Å; R3-D39 IonicContact NH2-OD2 2.97Å; R3-D39 PolarHBondContact NH2-OD2 2.79Å; S4-D39 PolarHBondContact O-N 3.13Å; Y5-D39 CarbonylContact C-O 3.59Å; Y5-D39 WeakPolarHBondContact CA-O 3.48Å; Y5-D39 HydrophobicContact CD1-CB 3.56Å; Y5-D39 HydrophobicContact CE1-CB 3.49Å; Y5-D39 VanDerWaalsContact CE1-CB 3.49Å; Y5-D39 WeakPolarHBondContact CE1-OD2 3.18Å; Y5-D39 HydrophobicContact CG-CB 4.39Å; Y5-D39 PolarHBondContact OH-OD2 2.84Å; I6-D39 PolarHBondContact N-O 2.88Å; S34-D39 WeakPolarHBondContact CA-OD1 3.47Å; S34-D39 WeakPolarHBondContact CB-OD1 3.22Å; T35-D39 PolarHBondContact N-OD1 2.96Å; T35-D39 VanDerWaalsContact N-OD1 3.17Å; D39-L83 HydrophobicContact CB-CD1 4.47Å
40F95.7Very high92.5Very high27 Ų2741 Ų4112%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-116.2113.4-176.8-60.6-81.3000108.8I6 G32 Q33 T35 R38 V164 H275I6-F40 HydrophobicContact CB-CD1 3.76Å; I6-F40 HydrophobicContact CB-CE1 3.88Å; I6-F40 HydrophobicContact CG1-CD1 4.31Å; I6-F40 HydrophobicContact CG1-CE1 3.94Å; I6-F40 HydrophobicContact CG2-CD1 4.19Å; I6-F40 HydrophobicContact CG2-CE1 4.27Å; I6-F40 CarbonylContact O-C 3.49Å; I6-F40 VanDerWaalsContact O-CA 3.3Å; I6-F40 WeakPolarHBondContact O-CA 3.39Å; G32-F40 CarbonylContact C-O 3.56Å; G32-F40 VanDerWaalsContact CA-O 3.24Å; G32-F40 WeakPolarHBondContact CA-O 3.36Å; Q33-F40 PolarHBondContact N-O 2.62Å; Q33-F40 PolarHBondContact O-N 3.4Å; T35-F40 HydrophobicContact CG2-CD2 4.11Å; T35-F40 HydrophobicContact CG2-CE2 3.82Å; R38-F40 HydrophobicContact CB-CE2 4.48Å; R38-F40 HydrophobicContact CB-CZ 4.28Å; F40-V164 HydrophobicContact CB-CG1 4.11Å; F40-V164 HydrophobicContact CD1-CG1 4.13Å; F40-H275 AromaticContact CD1-CE1 3.27Å; F40-H275 WeakPolarHBondContact CD1-CE1 3.4Å; F40-H275 AromaticContact CD1-ND1 3.72Å; F40-H275 AromaticContact CD1-NE2 3.46Å; F40-H275 WeakPolarHBondContact CD1-NE2 3.4Å; F40-H275 HydrophobicContact CD2-CB 4.25Å; F40-H275 AromaticContact CD2-CE1 3.74Å; F40-H275 AromaticContact CD2-CG 3.69Å; F40-H275 AromaticContact CD2-ND1 3.28Å; F40-H275 VanDerWaalsContact CD2-ND1 3.28Å; F40-H275 WeakPolarHBondContact CD2-ND1 3.5Å; F40-H275 AromaticContact CE1-CE1 3.02Å; F40-H275 WeakPolarHBondContact CE1-CE1 3.38Å; F40-H275 AromaticContact CE1-ND1 3.61Å; F40-H275 AromaticContact CE1-NE2 3.63Å; F40-H275 AromaticContact CE2-CE1 3.52Å; F40-H275 AromaticContact CE2-ND1 3.15Å; F40-H275 WeakPolarHBondContact CE2-ND1 3.48Å; F40-H275 AromaticContact CG-CD2 3.92Å; F40-H275 AromaticContact CG-CE1 3.63Å; F40-H275 AromaticContact CG-CG 3.76Å; F40-H275 AromaticContact CG-ND1 3.57Å; F40-H275 AromaticContact CG-NE2 3.85Å; F40-H275 AromaticContact CZ-CE1 3.15Å; F40-H275 WeakPolarHBondContact CZ-CE1 3.45Å; F40-H275 AromaticContact CZ-ND1 3.33Å; F40-H275 VanDerWaalsContact CZ-ND1 3.33Å; F40-H275 WeakPolarHBondContact CZ-ND1 3.5Å
41V97.3Very high91Very high0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-94.3115.4175.6-175.30000107.7Y5 I6 V7 E8 V11 L30 T44 L83 W158Y5-V41 HydrophobicContact CD1-CG2 4Å; I6-V41 PolarHBondContact O-N 3.02Å; V7-V41 HydrophobicContact CB-CB 4.35Å; V7-V41 HydrophobicContact CG1-CB 4.08Å; V7-V41 HydrophobicContact CG1-CG1 4.31Å; V7-V41 HydrophobicContact CG2-CB 4.06Å; V7-V41 HydrophobicContact CG2-CG2 4.09Å; E8-V41 PolarHBondContact N-O 3.4Å; V11-V41 HydrophobicContact CG2-CG1 4.4Å; L30-V41 HydrophobicContact CB-CG1 4.46Å; V41-T44 HydrophobicContact CG1-CG2 4.07Å; V41-L83 HydrophobicContact CG2-CD1 4.01Å; V41-W158 HydrophobicContact CB-CH2 4.45Å; V41-W158 HydrophobicContact CG1-CH2 4.32Å; V41-W158 HydrophobicContact CG2-CH2 3.95Å; V41-W158 HydrophobicContact CG2-CZ3 3.98Å
42V96.1Very high89.3Confident6 Ų656.9 Ų56.94%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-104.1-24.1-175.1-630000112.9I31 L80 V164 C165 W168 L339I31-V42 WeakPolarHBondContact O-CG2 3.43Å; I31-V42 PolarHBondContact O-N 3.33Å; V42-L80 HydrophobicContact CG2-CD2 4.11Å; V42-V164 HydrophobicContact CG1-CG1 4.2Å; V42-C165 VanDerWaalsContact CB-SG 3.57Å; V42-W168 HydrophobicContact CG1-CH2 4.02Å; V42-W168 HydrophobicContact CG1-CZ2 3.33Å; V42-L339 HydrophobicContact CB-CD1 3.91Å; V42-L339 HydrophobicContact CG1-CD1 3.83Å; V42-L339 HydrophobicContact CG2-CD1 4.14Å
43M95.7Very high87.8Confident16 Ų1658.2 Ų58.28%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-154.9153-174.4-173.5172.275.900109.8I31 V333 V341 L362 M364I31-M43 HydrophobicContact CB-CB 4.36Å; I31-M43 HydrophobicContact CB-CE 4.43Å; I31-M43 HydrophobicContact CD1-CE 3.39Å; I31-M43 HydrophobicContact CG2-CE 4.29Å; I31-M43 PolarHBondContact N-O 2.8Å; I31-M43 PolarHBondContact O-N 2.96Å; M43-V333 HydrophobicContact SD-CG1 4.05Å; M43-V333 HydrophobicContact SD-CG2 4.46Å; M43-V341 HydrophobicContact CE-CG1 3.95Å; M43-L362 HydrophobicContact CE-CD1 4.27Å; M43-L362 HydrophobicContact CE-CD2 3.93Å; M43-L362 HydrophobicContact CE-CG 4.5Å; M43-M364 HydrophobicContact CE-SD 4.44Å; M43-M364 HydrophobicContact SD-CG 4.32Å; M43-M364 HydrophobicContact SD-SD 3.65Å; M43-M364 VanDerWaalsContact SD-SD 3.65Å
44T97.1Very high86.1Confident6 Ų663.6 Ų63.64%0.03734%0.335CS..EExtended strand (participates in β ladder)trans-138.6138.5172.356.20000108.8V11 Y14 L29 L30 V41V11-T44 HydrophobicContact CB-CG2 4.29Å; V11-T44 HydrophobicContact CG1-CG2 3.34Å; V11-T44 HydrophobicContact CG2-CG2 4.04Å; Y14-T44 WeakPolarHBondContact CD1-OG1 3.46Å; Y14-T44 WeakPolarHBondContact CE1-O 3.3Å; L29-T44 VanDerWaalsContact O-CA 3.27Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; L30-T44 HydrophobicContact CD2-CG2 3.3Å; V41-T44 HydrophobicContact CG1-CG2 4.07Å
45T97Very high84.9Confident0 Ų065.1 Ų65.10%034%0.34CS..EExtended strand (participates in β ladder)trans-124.1138177.6175.80000109.4G28 L29 I31 V72 F86 M361 L362G28-T45 CarbonylContact C-O 3.58Å; G28-T45 WeakPolarHBondContact CA-O 3.25Å; L29-T45 HydrophobicContact CB-CG2 3.94Å; L29-T45 HydrophobicContact CD1-CG2 4.19Å; L29-T45 HydrophobicContact CG-CG2 4.31Å; L29-T45 PolarHBondContact N-O 3.3Å; L29-T45 PolarHBondContact O-N 2.91Å; I31-T45 HydrophobicContact CD1-CG2 3.95Å; T45-V72 HydrophobicContact CG2-CG2 4.39Å; T45-F86 WeakPolarHBondContact O-CE1 3.18Å; T45-M361 PolarHBondContact OG1-O 3.25Å; T45-L362 HydrophobicContact CG2-CD2 4.36Å; T45-L362 VanDerWaalsContact OG1-CA 3.31Å; T45-L362 WeakPolarHBondContact OG1-CA 3.26Å; T45-L362 PolarHBondContact OG1-O 3.11Å
46R96.1Very high83.7Confident100 Ų10066.4 Ų66.438%0.37736%0.36SS..EExtended strand (participates in β ladder)trans-73.2144.3170.568.3-174.6179.9163.42.6109.6Y14 L18 V26 H68 D363Y14-R46 WeakPolarHBondContact OH-CB 3.27Å; Y14-R46 WeakPolarHBondContact OH-CG 3.33Å; Y14-R46 PolarHBondContact OH-N 3.19Å; Y14-R46 VanDerWaalsContact OH-N 3.08Å; L18-R46 HydrophobicContact CD1-CB 4.25Å; V26-R46 HydrophobicContact CG1-CB 4.24Å; R46-H68 PolarHBondContact O-CE1 2.71Å; R46-D363 WeakPolarHBondContact CD-OD2 3.43Å; R46-D363 HydrophobicContact CG-CB 4.34Å; R46-D363 IonicContact CZ-OD2 3.11Å; R46-D363 IonicContact NE-OD1 3.47Å; R46-D363 IonicContact NE-OD2 2.77Å; R46-D363 PolarHBondContact NE-OD2 2.74Å; R46-D363 IonicContact NH2-OD1 3.56Å
47T95.6Very high82.8Confident14 Ų1462.2 Ų62.29%0.08634%0.342CS..PPolyproline II helixtrans-67131.2168.6-57.20000109.4T27 V65 H68T27-T47 PolarHBondContact O-N 3.11Å; T27-T47 PolarHBondContact OG1-OG1 2.75Å; T47-V65 HydrophobicContact CG2-CG2 3.99Å; T47-H68 WeakPolarHBondContact CA-ND1 3.45Å; T47-H68 HydrophobicContact CG2-CB 3.98Å; T47-H68 PolarHBondContact OG1-ND1 2.74Å
48P92.5Very high82.1Confident23 Ų2360.4 Ų60.415%0.14933%0.331CS..PPolyproline II helixtrans-52.2151.1174.2-28.335.5000112.2N50 W64 E360P48-N50 PolarHBondContact O-N 2.99Å; P48-W64 HydrophobicContact CB-CZ2 4.39Å; P48-W64 PolarHBondContact O-NE1 3.39Å; P48-E360 HydrophobicContact CG-CG 4.22Å; P48-E360 WeakPolarHBondContact CG-O 3.41Å
49Q83.8Confident81.4Confident153 Ų15358.4 Ų58.472%0.71534%0.336SS*.PPolyproline II helixtrans-69.1131.5174.4-68.6-172-37.600109.3D51Q49-D51 PolarHBondContact O-N 3.01Å
50N78.7Confident81Confident23 Ų2360.4 Ų60.412%0.12335%0.348CS..  trans-83.494173.2-175.3-3.4000108.8P48 E52 S53 D61 W64P48-N50 PolarHBondContact O-N 2.99Å; N50-E52 PolarHBondContact O-N 3.24Å; N50-E52 WeakPolarHBondContact OD1-CB 3.2Å; N50-E52 PolarHBondContact OD1-N 3.11Å; N50-E52 VanDerWaalsContact OD1-N 3.13Å; N50-S53 VanDerWaalsContact O-CB 3.27Å; N50-S53 WeakPolarHBondContact O-CB 3.27Å; N50-S53 PolarHBondContact O-N 3.2Å; N50-S53 VanDerWaalsContact O-N 3.07Å; N50-S53 PolarHBondContact O-OG 2.95Å; N50-S53 PolarHBondContact OD1-N 2.87Å; N50-D61 PolarHBondContact ND2-OD2 2.87Å; N50-W64 HydrophobicContact CB-CD2 3.95Å; N50-W64 HydrophobicContact CB-CG 4.02Å; N50-W64 HydrophobicContact CB-CZ2 4.44Å
51D66.4Low80.7Confident149 Ų14961.7 Ų61.780%0.79736%0.356SS*.THydrogen-bonded Turntrans-64.8-20.7179.7-73.6-17.6000112.9Q49 S53Q49-D51 PolarHBondContact O-N 3.01Å; D51-S53 VanDerWaalsContact C-N 3.29Å
52E62.3Low80.5Confident185 Ų18565 Ų6586%0.86437%0.37SS*.THydrogen-bonded Turntrans-83.2-5.7175.8-56.2-167.1150.600113N50 A54N50-E52 PolarHBondContact O-N 3.24Å; N50-E52 WeakPolarHBondContact OD1-CB 3.2Å; N50-E52 PolarHBondContact OD1-N 3.11Å; N50-E52 VanDerWaalsContact OD1-N 3.13Å; E52-A54 PolarHBondContact O-N 3.4Å
53S66Low80.3Confident27 Ų2770.4 Ų70.419%0.18940%0.395CS..  trans-71.1127.7-177.567.40000112.2N50 D51 D55 G56 G57N50-S53 VanDerWaalsContact O-CB 3.27Å; N50-S53 WeakPolarHBondContact O-CB 3.27Å; N50-S53 PolarHBondContact O-N 3.2Å; N50-S53 VanDerWaalsContact O-N 3.07Å; N50-S53 PolarHBondContact O-OG 2.95Å; N50-S53 PolarHBondContact OD1-N 2.87Å; D51-S53 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 2.89Å; S53-G56 PolarHBondContact O-N 3.46Å; S53-G57 PolarHBondContact OG-N 3.17Å
54A61Low80.3Confident119 Ų11973.8 Ų73.898%0.98341%0.407SS*.THydrogen-bonded Turntrans-62-16.1-177.300000114.8E52E52-A54 PolarHBondContact O-N 3.4Å
55D67.2Low80.2Confident73 Ų7373.5 Ų73.539%0.3941%0.406SS..THydrogen-bonded Turntrans-109.113.2175.8-163.816.1000113S53 G57 K58S53-D55 PolarHBondContact O-N 2.89Å; D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.16Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 3.33Å; D55-K58 PolarHBondContact O-NZ 2.92Å; D55-K58 IonicContact OD1-NZ 2.67Å; D55-K58 PolarHBondContact OD1-NZ 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.38Å
56G61.9Low80.2Confident64 Ų6473.9 Ų73.966%0.6641%0.408SS*.THydrogen-bonded Turntrans58.142.6177.900000113.2S53 K58S53-G56 PolarHBondContact O-N 3.46Å; G56-K58 VanDerWaalsContact C-N 3.34Å; G56-K58 PolarHBondContact O-N 3.13Å
57G62.7Low80.3Confident31 Ų3172 Ų7232%0.3240%0.404SS..THydrogen-bonded Turntrans75.911.3175.200000115.9S53 D55S53-G57 PolarHBondContact OG-N 3.17Å; D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.16Å
58K65.9Low80.4Confident130 Ų13071.7 Ų71.757%0.56540%0.401SS*.  trans-75.7-22-179.3-67.1-177.2-142.7123.30114.5P25 D55 G56P25-K58 WeakPolarHBondContact CD-O 3.44Å; P25-K58 VanDerWaalsContact CG-O 3.23Å; P25-K58 WeakPolarHBondContact CG-O 3.44Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 3.33Å; D55-K58 PolarHBondContact O-NZ 2.92Å; D55-K58 IonicContact OD1-NZ 2.67Å; D55-K58 PolarHBondContact OD1-NZ 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.38Å; G56-K58 VanDerWaalsContact C-N 3.34Å; G56-K58 PolarHBondContact O-N 3.13Å
59S76.6Confident80.6Confident81 Ų8170.6 Ų70.657%0.56639%0.394SS*.SBendtrans-108.9151175.164.90000110.7D61S59-D61 PolarHBondContact O-N 2.98Å
60V84.9Confident81.3Confident42 Ų4264.5 Ų64.526%0.25537%0.365SS..  trans-77.7109.6-179.7174.20000109.1P25 T27 I87 T99 L103P25-V60 HydrophobicContact CB-CG2 4.48Å; T27-V60 HydrophobicContact CG2-CB 4.48Å; T27-V60 HydrophobicContact CG2-CG1 3.89Å; T27-V60 HydrophobicContact CG2-CG2 3.82Å; V60-I87 HydrophobicContact CG2-CD1 3.88Å; V60-T99 HydrophobicContact CB-CG2 4.05Å; V60-T99 HydrophobicContact CG1-CG2 3.86Å; V60-T99 HydrophobicContact CG2-CG2 4.42Å; V60-L103 HydrophobicContact CG1-CD1 3.94Å; V60-L103 HydrophobicContact CG1-CD2 4.02Å; V60-L103 HydrophobicContact CG1-CG 4.33Å
61D90.3Very high82.1Confident53 Ų5365.6 Ų65.628%0.28337%0.369SS..  trans-83.3113.3173.5-174-23.7000109.9N50 S59 E63 W64 V65N50-D61 PolarHBondContact ND2-OD2 2.87Å; S59-D61 PolarHBondContact O-N 2.98Å; D61-E63 PolarHBondContact OD1-N 3.06Å; D61-E63 VanDerWaalsContact OD1-N 3.09Å; D61-W64 HydrophobicContact CB-CB 3.76Å; D61-W64 VanDerWaalsContact CG-CB 3.42Å; D61-W64 PolarHBondContact OD1-N 2.77Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.95Å; D61-V65 VanDerWaalsContact O-N 3.15Å
62K92.1Very high83.7Confident70 Ų7058.5 Ų58.530%0.30433%0.331SS..Hα-helixtrans-74.7-40.7-173.7171.6-164.3158.9-123.80111.3S66 L103 S106K62-S66 WeakPolarHBondContact O-CB 3.28Å; K62-S66 PolarHBondContact O-N 2.94Å; K62-S66 PolarHBondContact O-OG 3.17Å; K62-L103 HydrophobicContact CB-CD2 4.15Å; K62-L103 HydrophobicContact CG-CD2 4.26Å; K62-S106 VanDerWaalsContact CE-CB 3.46Å; K62-S106 WeakPolarHBondContact CE-OG 3.17Å
63E93.5Very high85.3Confident120 Ų12051.3 Ų51.356%0.56130%0.301SS*.Hα-helixtrans-66.6-42.5179.4-72.861.9-138.800109.5D61 S66 E67D61-E63 PolarHBondContact OD1-N 3.06Å; D61-E63 VanDerWaalsContact OD1-N 3.09Å; E63-S66 PolarHBondContact O-N 3.34Å; E63-E67 PolarHBondContact O-N 2.92Å
64W94.1Very high86.8Confident86 Ų8650.6 Ų50.633%0.32629%0.294SS..Hα-helixtrans-61.9-47.1175-172-110.1000113.4P48 N50 D61 S66 E67 H68P48-W64 HydrophobicContact CB-CZ2 4.39Å; P48-W64 PolarHBondContact O-NE1 3.39Å; N50-W64 HydrophobicContact CB-CD2 3.95Å; N50-W64 HydrophobicContact CB-CG 4.02Å; N50-W64 HydrophobicContact CB-CZ2 4.44Å; D61-W64 HydrophobicContact CB-CB 3.76Å; D61-W64 VanDerWaalsContact CG-CB 3.42Å; D61-W64 PolarHBondContact OD1-N 2.77Å; W64-S66 VanDerWaalsContact C-N 3.28Å; W64-S66 PolarHBondContact O-N 3.06Å; W64-E67 PolarHBondContact O-N 3.14Å; W64-H68 WeakPolarHBondContact O-CB 3.3Å; W64-H68 PolarHBondContact O-N 2.77Å
65V96.6Very high88.6Confident1 Ų145.2 Ų45.21%0.00625%0.249CC..Hα-helixtrans-63.8-36176.5174.40000111.4T27 L29 T47 D61 A69 L103 V107T27-V65 WeakPolarHBondContact OG1-CG2 3.44Å; L29-V65 HydrophobicContact CD2-CG1 4.5Å; T47-V65 HydrophobicContact CG2-CG2 3.99Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.95Å; D61-V65 VanDerWaalsContact O-N 3.15Å; V65-A69 WeakPolarHBondContact O-CB 3.26Å; V65-A69 PolarHBondContact O-N 2.92Å; V65-L103 HydrophobicContact CB-CD2 3.87Å; V65-L103 HydrophobicContact CG1-CD2 3.97Å; V65-L103 HydrophobicContact CG2-CD2 4.16Å; V65-V107 HydrophobicContact CG1-CG2 4.27Å
66S97Very high90Very high8 Ų842.4 Ų42.46%0.05623%0.234CC..Hα-helixtrans-66.6-44.4177.5-56.10000110.8K62 E63 W64 A69 R70 S106 L110K62-S66 WeakPolarHBondContact O-CB 3.28Å; K62-S66 PolarHBondContact O-N 2.94Å; K62-S66 PolarHBondContact O-OG 3.17Å; E63-S66 PolarHBondContact O-N 3.34Å; W64-S66 VanDerWaalsContact C-N 3.28Å; W64-S66 PolarHBondContact O-N 3.06Å; S66-A69 WeakPolarHBondContact O-CB 3.3Å; S66-A69 PolarHBondContact O-N 3.03Å; S66-R70 PolarHBondContact O-N 2.72Å; S66-S106 WeakPolarHBondContact OG-CB 3.39Å; S66-L110 WeakPolarHBondContact O-CD2 3.47Å
67E96.4Very high91.7Very high61 Ų6139.4 Ų39.429%0.28520%0.203SC..Hα-helixtrans-63.3-45.7176.7-179.353.5-152.600112E63 W64 A69 R70 Q71E63-E67 PolarHBondContact O-N 2.92Å; W64-E67 PolarHBondContact O-N 3.14Å; E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 2.94Å; E67-R70 WeakPolarHBondContact O-CB 3.24Å; E67-R70 PolarHBondContact O-N 3.02Å; E67-R70 VanDerWaalsContact O-N 3.09Å; E67-R70 IonicContact OE1-CZ 2.84Å; E67-R70 IonicContact OE1-NE 3.76Å; E67-R70 PolarHBondContact OE1-NE 3.14Å; E67-R70 IonicContact OE1-NH2 3.21Å; E67-R70 PolarHBondContact OE1-NH2 3.15Å; E67-R70 IonicContact OE2-CZ 3.89Å; E67-R70 IonicContact OE2-NE 2.75Å; E67-R70 PolarHBondContact OE2-NE 2.94Å; E67-R70 IonicContact OE2-NH2 2.81Å; E67-R70 PolarHBondContact OE2-NH2 2.95Å; E67-Q71 WeakPolarHBondContact O-CG 3.46Å; E67-Q71 PolarHBondContact O-N 3.5Å; E67-Q71 PolarHBondContact OE1-NE2 2.61Å
68H97.9Very high93.3Very high7 Ų738.3 Ų38.33%0.03219%0.191CC..Hα-helixtrans-55-44.6172.4173.7-137.1000111.7R46 T47 W64 R70 Q71 V72 M361R46-H68 PolarHBondContact O-CE1 2.71Å; T47-H68 WeakPolarHBondContact CA-ND1 3.45Å; T47-H68 HydrophobicContact CG2-CB 3.98Å; T47-H68 PolarHBondContact OG1-ND1 2.74Å; W64-H68 WeakPolarHBondContact O-CB 3.3Å; W64-H68 PolarHBondContact O-N 2.77Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.83Å; H68-Q71 PolarHBondContact O-N 2.96Å; H68-V72 WeakPolarHBondContact NE2-CG2 3.31Å; H68-V72 WeakPolarHBondContact O-CB 3.36Å; H68-V72 WeakPolarHBondContact O-CG2 3.11Å; H68-V72 PolarHBondContact O-N 3.29Å; H68-M361 PolarHBondContact NE2-O 3.28Å
69A98.3Very high94.7Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-65.4-36.1177.400000113.5L29 V65 S66 E67 S73 V107 I111L29-A69 HydrophobicContact CD1-CB 3.91Å; L29-A69 HydrophobicContact CD2-CB 3.71Å; L29-A69 HydrophobicContact CG-CB 4.48Å; V65-A69 WeakPolarHBondContact O-CB 3.26Å; V65-A69 PolarHBondContact O-N 2.92Å; S66-A69 WeakPolarHBondContact O-CB 3.3Å; S66-A69 PolarHBondContact O-N 3.03Å; E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 2.94Å; A69-S73 VanDerWaalsContact O-CB 3.31Å; A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 3.2Å; A69-V107 HydrophobicContact CB-CB 4.2Å; A69-V107 HydrophobicContact CB-CG1 3.5Å; A69-V107 HydrophobicContact CB-CG2 3.8Å; A69-I111 HydrophobicContact CB-CD1 4.1Å
70R97.1Very high95.6Very high24 Ų2429.3 Ų29.39%0.09115%0.145CC..Hα-helixtrans-62-49.3174.1-170.5-17574.7100.3-0.6110.8S66 E67 H68 S73 R74 L110 E114 E305S66-R70 PolarHBondContact O-N 2.72Å; E67-R70 WeakPolarHBondContact O-CB 3.24Å; E67-R70 PolarHBondContact O-N 3.02Å; E67-R70 VanDerWaalsContact O-N 3.09Å; E67-R70 IonicContact OE1-CZ 2.84Å; E67-R70 IonicContact OE1-NE 3.76Å; E67-R70 PolarHBondContact OE1-NE 3.14Å; E67-R70 IonicContact OE1-NH2 3.21Å; E67-R70 PolarHBondContact OE1-NH2 3.15Å; E67-R70 IonicContact OE2-CZ 3.89Å; E67-R70 IonicContact OE2-NE 2.75Å; E67-R70 PolarHBondContact OE2-NE 2.94Å; E67-R70 IonicContact OE2-NH2 2.81Å; E67-R70 PolarHBondContact OE2-NH2 2.95Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.83Å; R70-S73 WeakPolarHBondContact O-CB 3.43Å; R70-S73 PolarHBondContact O-N 2.95Å; R70-S73 PolarHBondContact O-OG 3.45Å; R70-R74 VanDerWaalsContact NH1-CZ 3.29Å; R70-R74 PolarHBondContact O-N 2.86Å; R70-L110 HydrophobicContact CB-CD2 3.93Å; R70-L110 HydrophobicContact CB-CG 4.12Å; R70-L110 HydrophobicContact CG-CD2 4.37Å; R70-L110 HydrophobicContact CG-CG 4.15Å; R70-E114 VanDerWaalsContact CD-OE1 3.31Å; R70-E114 WeakPolarHBondContact CD-OE1 3.48Å; R70-E114 IonicContact CZ-OE1 2.77Å; R70-E114 IonicContact NE-OE1 3.44Å; R70-E114 IonicContact NH1-OE1 3.44Å; R70-E114 PolarHBondContact NH1-OE1 3.24Å; R70-E305 IonicContact CZ-OE1 3.48Å; R70-E305 IonicContact NH1-OE1 3.87Å; R70-E305 PolarHBondContact NH1-OE1 3.47Å; R70-E305 IonicContact NH1-OE2 2.81Å; R70-E305 IonicContact NH2-OE1 3.95Å
71Q96.9Very high96.2Very high47 Ų4729.3 Ų29.322%0.2215%0.147CC..Hα-helixtrans-62.9-48178.2-63.5-65.2-8.800111.8E67 H68 S73 R74 M75 M361E67-Q71 WeakPolarHBondContact O-CG 3.46Å; E67-Q71 PolarHBondContact O-N 3.5Å; E67-Q71 PolarHBondContact OE1-NE2 2.61Å; H68-Q71 PolarHBondContact O-N 2.96Å; Q71-S73 VanDerWaalsContact C-N 3.25Å; Q71-S73 PolarHBondContact O-N 3.11Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.46Å; Q71-R74 VanDerWaalsContact O-N 3.08Å; Q71-M75 PolarHBondContact O-N 3.15Å; Q71-M361 HydrophobicContact CB-CE 3.49Å; Q71-M361 VanDerWaalsContact CB-CE 3.49Å; Q71-M361 HydrophobicContact CB-SD 3.92Å; Q71-M361 HydrophobicContact CG-CE 3.64Å
72V98.3Very high96.6Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-58.8-38.3175167.20000111.3L29 I31 T45 H68 R74 M75 L76 V82 M361 L362L29-V72 HydrophobicContact CD1-CB 3.82Å; L29-V72 HydrophobicContact CD1-CG1 3.99Å; L29-V72 HydrophobicContact CD1-CG2 3.88Å; I31-V72 HydrophobicContact CD1-CG1 3.69Å; I31-V72 HydrophobicContact CG1-CG1 4.33Å; T45-V72 HydrophobicContact CG2-CG2 4.39Å; H68-V72 WeakPolarHBondContact NE2-CG2 3.31Å; H68-V72 WeakPolarHBondContact O-CB 3.36Å; H68-V72 WeakPolarHBondContact O-CG2 3.11Å; H68-V72 PolarHBondContact O-N 3.29Å; V72-R74 PolarHBondContact O-N 3Å; V72-M75 WeakPolarHBondContact O-CA 3.15Å; V72-M75 WeakPolarHBondContact O-CB 3.35Å; V72-M75 PolarHBondContact O-N 3.47Å; V72-L76 HydrophobicContact CG1-CD1 4.36Å; V72-L76 HydrophobicContact CG1-CG 4.46Å; V72-L76 WeakPolarHBondContact O-CG 3.38Å; V72-L76 PolarHBondContact O-N 3.3Å; V72-V82 HydrophobicContact CG1-CG2 4.12Å; V72-M361 HydrophobicContact CG2-CB 4.3Å; V72-L362 HydrophobicContact CB-CD2 4.37Å; V72-L362 HydrophobicContact CG1-CD2 3.83Å; V72-L362 HydrophobicContact CG2-CD2 3.8Å
73S97.6Very high96.9Very high33 Ų3324.4 Ų24.423%0.23113%0.125CC..Hα-helixtrans-60.8-30.9178.780.20000113.5A69 R70 Q71 M75 L76A69-S73 VanDerWaalsContact O-CB 3.31Å; A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 3.2Å; R70-S73 WeakPolarHBondContact O-CB 3.43Å; R70-S73 PolarHBondContact O-N 2.95Å; R70-S73 PolarHBondContact O-OG 3.45Å; Q71-S73 VanDerWaalsContact C-N 3.25Å; Q71-S73 PolarHBondContact O-N 3.11Å; S73-M75 VanDerWaalsContact C-N 3.3Å; S73-L76 PolarHBondContact O-N 3Å
74R96.8Very high97.1Very high13 Ų1318.9 Ų18.95%0.04910%0.1CC..Hα-helixtrans-69.8-29.3173.7-66171.1172.4-165.9-9.9112.2R70 Q71 V72 L76 E114 T298 E305 Y344R70-R74 VanDerWaalsContact NH1-CZ 3.29Å; R70-R74 PolarHBondContact O-N 2.86Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.46Å; Q71-R74 VanDerWaalsContact O-N 3.08Å; V72-R74 PolarHBondContact O-N 3Å; R74-L76 VanDerWaalsContact C-N 3.29Å; R74-L76 PolarHBondContact O-N 2.99Å; R74-E114 IonicContact CZ-OE2 3.47Å; R74-E114 IonicContact NE-OE2 3.83Å; R74-E114 PolarHBondContact NE-OE2 3.24Å; R74-E114 IonicContact NH2-OE1 2.93Å; R74-E114 PolarHBondContact NH2-OE1 2.96Å; R74-E114 IonicContact NH2-OE2 2.73Å; R74-E114 PolarHBondContact NH2-OE2 2.91Å; R74-T298 HydrophobicContact CB-CG2 3.82Å; R74-T298 HydrophobicContact CG-CG2 3.75Å; R74-E305 IonicContact CZ-OE1 2.88Å; R74-E305 IonicContact CZ-OE2 3.46Å; R74-E305 IonicContact NH1-OE1 3.49Å; R74-E305 IonicContact NH1-OE2 3.7Å; R74-E305 PolarHBondContact NH1-OE2 2.81Å; R74-E305 IonicContact NH2-OE1 3.35Å; R74-E305 PolarHBondContact NH2-OE1 3.36Å; R74-E305 IonicContact NH2-OE2 3.28Å; R74-E305 PolarHBondContact NH2-OE2 3.06Å; R74-Y344 WeakPolarHBondContact O-CE2 3.42Å
75M97.8Very high97.3Very high6 Ų614.9 Ų14.93%0.039%0.085CC..THydrogen-bonded Turntrans-81.7-1.3179.9-60.1178.589.300114.1Q71 V72 S73 P77 C342 D343 F358 M361 L362Q71-M75 PolarHBondContact O-N 3.15Å; V72-M75 WeakPolarHBondContact O-CA 3.15Å; V72-M75 WeakPolarHBondContact O-CB 3.35Å; V72-M75 PolarHBondContact O-N 3.47Å; S73-M75 VanDerWaalsContact C-N 3.3Å; M75-P77 WeakPolarHBondContact O-CD 3.2Å; M75-C342 CarbonylContact C-O 3.59Å; M75-C342 VanDerWaalsContact C-SG 3.59Å; M75-C342 WeakPolarHBondContact CA-O 3.29Å; M75-C342 WeakPolarHBondContact CB-O 3.42Å; M75-C342 WeakPolarHBondContact CG-O 3.32Å; M75-C342 PolarHBondContact O-N 3.38Å; M75-C342 PolarHBondContact O-SG 2.92Å; M75-D343 HydrophobicContact CE-CB 3.91Å; M75-F358 HydrophobicContact CE-CD1 3.46Å; M75-F358 VanDerWaalsContact CE-CD1 3.46Å; M75-F358 HydrophobicContact CE-CE1 3.59Å; M75-F358 HydrophobicContact CE-CG 4.38Å; M75-M361 HydrophobicContact CE-CB 4.25Å; M75-M361 HydrophobicContact SD-CB 3.57Å; M75-M361 VanDerWaalsContact SD-CB 3.57Å; M75-M361 HydrophobicContact SD-CG 4Å; M75-L362 HydrophobicContact CE-CD1 3.96Å; M75-L362 HydrophobicContact CE-CG 4.2Å; M75-L362 HydrophobicContact SD-CD1 4.27Å; M75-L362 HydrophobicContact SD-CD2 4.44Å; M75-L362 HydrophobicContact SD-CG 4.13Å
76L97.9Very high97.3Very high14 Ų1414.8 Ų14.87%0.0738%0.084CC..  trans-103.8117.2-176.6-62.1-179.8000111.5I31 V72 S73 R74 L80 V82 V341I31-L76 HydrophobicContact CD1-CD2 4.47Å; I31-L76 HydrophobicContact CG1-CD1 4.38Å; I31-L76 HydrophobicContact CG2-CD1 3.84Å; I31-L76 HydrophobicContact CG2-CD2 3.63Å; I31-L76 HydrophobicContact CG2-CG 4.4Å; V72-L76 HydrophobicContact CG1-CD1 4.36Å; V72-L76 HydrophobicContact CG1-CG 4.46Å; V72-L76 WeakPolarHBondContact O-CG 3.38Å; V72-L76 PolarHBondContact O-N 3.3Å; S73-L76 PolarHBondContact O-N 3Å; R74-L76 VanDerWaalsContact C-N 3.29Å; R74-L76 PolarHBondContact O-N 2.99Å; L76-L80 HydrophobicContact CB-CB 4.12Å; L76-L80 HydrophobicContact CD2-CB 4.34Å; L76-V82 HydrophobicContact CD1-CG2 4.11Å; L76-V341 HydrophobicContact CD2-CG1 4.03Å
77P96.9Very high97.3Very high1 Ų114.7 Ų14.71%0.0068%0.083CC..  trans-68.1167.5171.6-21.434.4000113.3M75 G79 L80 R271 F273 D291 F330 S340 C342M75-P77 WeakPolarHBondContact O-CD 3.2Å; P77-G79 PolarHBondContact O-N 3.37Å; P77-L80 WeakPolarHBondContact O-CB 3.33Å; P77-L80 PolarHBondContact O-N 3.19Å; P77-R271 WeakPolarHBondContact CB-O 3.44Å; P77-F273 HydrophobicContact CB-CD2 4.24Å; P77-F273 HydrophobicContact CB-CE2 3.84Å; P77-F273 HydrophobicContact CG-CE2 3.99Å; P77-D291 VanDerWaalsContact CA-OD1 3.24Å; P77-D291 WeakPolarHBondContact CA-OD1 3.28Å; P77-F330 HydrophobicContact CB-CE1 4.43Å; P77-F330 HydrophobicContact CG-CD1 4.26Å; P77-F330 HydrophobicContact CG-CE1 3.86Å; P77-S340 WeakPolarHBondContact CG-O 3.28Å; P77-C342 HydrophobicContact CG-CB 4.34Å
78G96.3Very high97.3Very high7 Ų711.8 Ų11.87%0.0727%0.069CC..BIsolated β-bridgetrans-43.9133.1-179.800000113.5L80 R271 A272 F273 D291G78-L80 PolarHBondContact O-N 3.49Å; G78-R271 PolarHBondContact N-O 2.71Å; G78-A272 CarbonylContact O-C 3.58Å; G78-A272 WeakPolarHBondContact O-CA 3.36Å; G78-F273 PolarHBondContact O-N 3.25Å; G78-D291 PolarHBondContact N-OD1 3.14Å
79G94.5Very high97Very high10 Ų1011.7 Ų11.710%0.1037%0.07CC..THydrogen-bonded Turntrans83.9-13.8-179.400000115.1Q33 P77Q33-G79 VanDerWaalsContact CB-O 3.26Å; Q33-G79 WeakPolarHBondContact CB-O 3.41Å; Q33-G79 WeakPolarHBondContact CG-O 3.21Å; Q33-G79 PolarHBondContact NE2-O 3.35Å; P77-G79 PolarHBondContact O-N 3.37Å
80L97.3Very high96.7Very high13 Ų1316.9 Ų16.97%0.0689%0.094CC..  trans-98.4144.8164.4-60.7178000109.5G32 V42 L76 P77 G78 W168 F273 L339G32-L80 CarbonylContact O-C 3.55Å; G32-L80 WeakPolarHBondContact O-CA 3.44Å; V42-L80 HydrophobicContact CG2-CD2 4.11Å; L76-L80 HydrophobicContact CB-CB 4.12Å; L76-L80 HydrophobicContact CD2-CB 4.34Å; P77-L80 WeakPolarHBondContact O-CB 3.33Å; P77-L80 PolarHBondContact O-N 3.19Å; G78-L80 PolarHBondContact O-N 3.49Å; L80-W168 HydrophobicContact CD2-CH2 3.99Å; L80-W168 HydrophobicContact CD2-CZ3 4.05Å; L80-F273 HydrophobicContact CD1-CD2 3.85Å; L80-F273 HydrophobicContact CD1-CE2 4.24Å; L80-F273 HydrophobicContact CG-CD2 4.03Å; L80-L339 HydrophobicContact CD2-CD2 4.42Å
81S97.1Very high96.4Very high42 Ų4218.8 Ų18.829%0.29411%0.111SC..EExtended strand (participates in β ladder)trans-156.8159.9-178.355.90000110.7I31 G32 L83I31-S81 WeakPolarHBondContact CA-O 3.32Å; G32-S81 PolarHBondContact N-O 2.86Å; G32-S81 PolarHBondContact O-N 3.06Å; G32-S81 PolarHBondContact O-OG 3.49Å; S81-L83 PolarHBondContact O-N 3.38Å
82V98.1Very high96.2Very high15 Ų1521.5 Ų21.59%0.09113%0.127CC..EExtended strand (participates in β ladder)trans-72.7107.5167.4179.80000107.7L29 L30 V72 L76 G84 V107 I111L29-V82 HydrophobicContact CB-CG1 4.37Å; L29-V82 HydrophobicContact CD2-CG1 4.29Å; L30-V82 CarbonylContact O-C 3.56Å; V72-V82 HydrophobicContact CG1-CG2 4.12Å; L76-V82 HydrophobicContact CD1-CG2 4.11Å; V82-G84 VanDerWaalsContact C-N 3.32Å; V82-V107 HydrophobicContact CG1-CG1 4.26Å; V82-I111 HydrophobicContact CB-CD1 4.14Å; V82-I111 HydrophobicContact CG2-CD1 4.22Å
83L97.7Very high95.8Very high5 Ų522.1 Ų22.13%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-78.5-21.8-179.6-58.7-178.1000112.1L30 S34 D39 V41 S81 C127 V128L30-L83 PolarHBondContact O-N 2.94Å; S34-L83 WeakPolarHBondContact OG-CD2 3.35Å; D39-L83 HydrophobicContact CB-CD1 4.47Å; V41-L83 HydrophobicContact CG2-CD1 4.01Å; S81-L83 PolarHBondContact O-N 3.38Å; L83-C127 CarbonylContact O-C 3.59Å; L83-C127 VanDerWaalsContact O-CA 3.32Å; L83-C127 WeakPolarHBondContact O-CA 3.47Å; L83-V128 HydrophobicContact CB-CG1 4.02Å; L83-V128 WeakPolarHBondContact O-CG1 3.26Å; L83-V128 PolarHBondContact O-N 3.32Å
84G97.9Very high95.6Very high4 Ų428.5 Ų28.54%0.04116%0.156CC..EExtended strand (participates in β ladder)trans161.2-157.9179.700000112.5L30 V82 V128L30-G84 PolarHBondContact N-O 2.83Å; V82-G84 VanDerWaalsContact C-N 3.32Å; G84-V128 CarbonylContact C-O 3.59Å; G84-V128 WeakPolarHBondContact CA-O 3.38Å
85V98.4Very high95.4Very high1 Ų133.3 Ų33.31%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-127.9155.2-171.8-55.40000111.6G28 L29 L100 L103 V104 V107 V128 T129 L130G28-V85 CarbonylContact O-C 3.46Å; G28-V85 VanDerWaalsContact O-CA 3.27Å; G28-V85 WeakPolarHBondContact O-CA 3.05Å; L29-V85 HydrophobicContact CD2-CG1 4.08Å; V85-L100 HydrophobicContact CG2-CD2 3.85Å; V85-L103 HydrophobicContact CG2-CB 4.08Å; V85-L103 HydrophobicContact CG2-CD1 4.38Å; V85-V104 HydrophobicContact CG2-CG2 3.66Å; V85-V107 HydrophobicContact CG1-CG2 4.06Å; V85-V128 PolarHBondContact N-O 3.26Å; V85-T129 HydrophobicContact CG2-CG2 4.25Å; V85-T129 WeakPolarHBondContact O-CA 3.31Å; V85-L130 PolarHBondContact O-N 3.35Å
86F97.8Very high95.1Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-122.3156.2169.272.7-95.8000111.6L15 L18 V26 T27 G28 L30 T45 I88 L130L15-F86 HydrophobicContact CD2-CD1 4.41Å; L15-F86 HydrophobicContact CD2-CD2 4.02Å; L15-F86 HydrophobicContact CD2-CE1 4.36Å; L15-F86 HydrophobicContact CD2-CE2 4Å; L15-F86 HydrophobicContact CD2-CG 4.23Å; L15-F86 HydrophobicContact CD2-CZ 4.16Å; L18-F86 HydrophobicContact CD1-CE2 4.03Å; L18-F86 HydrophobicContact CD1-CZ 3.94Å; V26-F86 HydrophobicContact CG1-CE2 4.45Å; T27-F86 WeakPolarHBondContact CA-O 3.35Å; G28-F86 VanDerWaalsContact C-CD1 3.41Å; G28-F86 VanDerWaalsContact C-CE1 3.4Å; G28-F86 PolarHBondContact N-O 3.43Å; G28-F86 VanDerWaalsContact N-O 3.09Å; G28-F86 PolarHBondContact O-N 2.98Å; L30-F86 HydrophobicContact CD2-CB 4.22Å; L30-F86 HydrophobicContact CD2-CD1 3.8Å; L30-F86 HydrophobicContact CD2-CG 4.43Å; L30-F86 HydrophobicContact CG-CB 4.43Å; L30-F86 HydrophobicContact CG-CD1 4.29Å; T45-F86 WeakPolarHBondContact O-CE1 3.18Å; F86-I88 HydrophobicContact CD2-CD1 4.33Å; F86-I88 HydrophobicContact CD2-CG1 3.87Å; F86-I88 HydrophobicContact CE2-CD1 4.02Å; F86-I88 HydrophobicContact CE2-CG1 3.98Å; F86-L130 CarbonylContact C-O 3.45Å; F86-L130 WeakPolarHBondContact CA-O 3.15Å; F86-L130 HydrophobicContact CB-CB 3.82Å; F86-L130 HydrophobicContact CB-CD2 4.31Å
87I96.3Very high95Very high5 Ų534.9 Ų34.93%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-133.9132.4167.6-167.4174.8000109.4V26 T27 V60 T96 L100 L130 H131 V132V26-I87 CarbonylContact O-C 3.52Å; V26-I87 VanDerWaalsContact O-CA 3.29Å; V26-I87 WeakPolarHBondContact O-CA 3.48Å; T27-I87 HydrophobicContact CG2-CB 4.39Å; T27-I87 HydrophobicContact CG2-CD1 4.28Å; T27-I87 HydrophobicContact CG2-CG1 3.98Å; V60-I87 HydrophobicContact CG2-CD1 3.88Å; I87-T96 HydrophobicContact CD1-CG2 4.36Å; I87-L100 HydrophobicContact CB-CD2 4.07Å; I87-L100 HydrophobicContact CG2-CD1 3.8Å; I87-L100 HydrophobicContact CG2-CD2 3.72Å; I87-L100 HydrophobicContact CG2-CG 3.86Å; I87-L130 PolarHBondContact N-O 3.33Å; I87-H131 HydrophobicContact CG2-CB 4.29Å; I87-H131 WeakPolarHBondContact O-CA 3.42Å; I87-V132 PolarHBondContact O-N 3.36Å
88I95.7Very high94.8Very high0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-109.3113171.1-48.3-177.4000106.9L15 L18 C19 L22 P25 V26 F86 V132 P134L15-I88 HydrophobicContact CD2-CD1 4.17Å; L18-I88 HydrophobicContact CB-CD1 3.56Å; L18-I88 HydrophobicContact CD1-CD1 3.99Å; L18-I88 HydrophobicContact CG-CD1 4.46Å; C19-I88 VanDerWaalsContact SG-CG2 3.6Å; L22-I88 HydrophobicContact CD1-CB 4.3Å; L22-I88 HydrophobicContact CD1-CG2 3.53Å; P25-I88 WeakPolarHBondContact CA-O 3.25Å; V26-I88 HydrophobicContact CB-CB 4.26Å; V26-I88 PolarHBondContact N-O 3.28Å; V26-I88 PolarHBondContact O-N 2.94Å; F86-I88 HydrophobicContact CD2-CD1 4.33Å; F86-I88 HydrophobicContact CD2-CG1 3.87Å; F86-I88 HydrophobicContact CE2-CD1 4.02Å; F86-I88 HydrophobicContact CE2-CG1 3.98Å; I88-V132 WeakPolarHBondContact CA-O 3.35Å; I88-V132 HydrophobicContact CG1-CB 4.21Å; I88-V132 HydrophobicContact CG2-CB 4.37Å; I88-P134 HydrophobicContact CG2-CG 4.39Å
89S93.3Very high94.8Very high5 Ų541 Ų414%0.03523%0.227CC..  trans-152.2155.6-178.372.80000112.2S91 T96 H131 V132 N133 P134S89-S91 PolarHBondContact O-N 3.42Å; S89-T96 WeakPolarHBondContact OG-CG2 3.07Å; S89-H131 PolarHBondContact OG-NE2 2.98Å; S89-V132 PolarHBondContact N-O 2.99Å; S89-V132 VanDerWaalsContact N-O 3.14Å; S89-N133 WeakPolarHBondContact O-CA 3.17Å; S89-N133 PolarHBondContact O-ND2 2.76Å; S89-P134 VanDerWaalsContact O-CD 3.31Å; S89-P134 WeakPolarHBondContact O-CD 3.18Å
90E92.1Very high94.8Very high109 Ų10940.7 Ų40.751%0.50922%0.223SC..SBendtrans-74.6-16.7177.1-56.3-169.8145.900113.2N133 P134 K135E90-N133 PolarHBondContact O-ND2 2.99Å; E90-P134 HydrophobicContact CG-CG 4.43Å; E90-K135 HydrophobicContact CB-CD 4.26Å; E90-K135 HydrophobicContact CG-CD 4.32Å; E90-K135 WeakPolarHBondContact OE1-CE 3.32Å; E90-K135 IonicContact OE1-NZ 3.79Å; E90-K135 PolarHBondContact OE1-NZ 2.82Å; E90-K135 WeakPolarHBondContact OE2-CE 3.27Å; E90-K135 IonicContact OE2-NZ 2.68Å; E90-K135 PolarHBondContact OE2-NZ 2.99Å
91S90.9Very high94.8Very high64 Ų6443.1 Ų43.145%0.44823%0.232SC..SBendtrans-65157.8176-50.60000111.9S89 H131 N133S89-S91 PolarHBondContact O-N 3.42Å; S91-H131 PolarHBondContact O-CE1 2.89Å; S91-H131 PolarHBondContact O-NE2 3.35Å; S91-N133 PolarHBondContact O-ND2 2.88Å; S91-N133 VanDerWaalsContact O-ND2 3.11Å
92D90.9Very high94.7Very high104 Ų10446.1 Ų46.156%0.55624%0.241SC*.  trans-71149.6177-85.4-36.9000111.9K94 D95 T96D92-K94 PolarHBondContact O-N 2.86Å; D92-D95 PolarHBondContact O-N 2.85Å; D92-T96 PolarHBondContact O-N 2.62Å; D92-T96 PolarHBondContact O-OG1 2.77Å
93A90.9Very high94.6Very high14 Ų1445.4 Ų45.412%0.11624%0.237CC..THydrogen-bonded Turntrans-62.4-11.5179.900000114.5H131 V140 R142A93-H131 HydrophobicContact CB-CB 4.32Å; A93-H131 VanDerWaalsContact CB-ND1 3.32Å; A93-H131 WeakPolarHBondContact CB-ND1 3.45Å; A93-H131 PolarHBondContact N-CE1 3.12Å; A93-V140 HydrophobicContact CB-CB 4Å; A93-V140 HydrophobicContact CB-CG1 4.25Å; A93-V140 HydrophobicContact CB-CG2 3.7Å; A93-R142 PolarHBondContact O-NH1 3.03Å
94K92.8Very high94.6Very high167 Ų16745.3 Ų45.373%0.72624%0.236SC*.THydrogen-bonded Turntrans-84.6-38.1174.8-69.7-178-180177.40110.8D92 L97D92-K94 PolarHBondContact O-N 2.86Å; K94-L97 WeakPolarHBondContact O-CB 3.46Å; K94-L97 PolarHBondContact O-N 3.34Å
95D92.4Very high94.5Very high113 Ų11346.4 Ų46.460%0.60424%0.24SC*.THydrogen-bonded Turntrans-73.4-34.1-177.2-55.4-26.9000111D92 L97D92-D95 PolarHBondContact O-N 2.85Å; D95-L97 VanDerWaalsContact C-N 3.34Å
96T93.1Very high94.5Very high9 Ų947.4 Ų47.46%0.05525%0.247CC..THydrogen-bonded Turntrans-81.7-9.517857.40000114.2I87 S89 D92 T98 T99 L100 H131I87-T96 HydrophobicContact CD1-CG2 4.36Å; S89-T96 WeakPolarHBondContact OG-CG2 3.07Å; D92-T96 PolarHBondContact O-N 2.62Å; D92-T96 PolarHBondContact O-OG1 2.77Å; T96-T98 PolarHBondContact O-N 2.64Å; T96-T99 PolarHBondContact O-N 2.88Å; T96-L100 PolarHBondContact O-N 3Å; T96-H131 PolarHBondContact OG1-CD2 3.5Å
97L94.2Very high94.4Very high45 Ų4547.7 Ų47.724%0.23625%0.248CC..Hα-helixtrans-63.3-40.9-171.6-17858.7000112.7K94 D95 L100 R101 F144 A153K94-L97 WeakPolarHBondContact O-CB 3.46Å; K94-L97 PolarHBondContact O-N 3.34Å; D95-L97 VanDerWaalsContact C-N 3.34Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-R101 WeakPolarHBondContact O-CB 3.4Å; L97-R101 PolarHBondContact O-N 2.82Å; L97-F144 HydrophobicContact CD1-CE2 4.42Å; L97-F144 HydrophobicContact CD1-CZ 3.79Å; L97-A153 HydrophobicContact CD1-CB 3.93Å; L97-A153 HydrophobicContact CD2-CB 4.41Å
98T94.1Very high94.4Very high90 Ų9048.7 Ų48.755%0.55225%0.253SS*.Hα-helixtrans-66.5-42.3179.1-55.90000111T96 R101 Q102T96-T98 PolarHBondContact O-N 2.64Å; T98-R101 WeakPolarHBondContact O-CB 3.4Å; T98-R101 PolarHBondContact O-N 3.43Å; T98-Q102 WeakPolarHBondContact O-CG 3.5Å; T98-Q102 PolarHBondContact O-N 2.84Å
99T94.9Very high94.4Very high46 Ų4653.5 Ų53.528%0.28228%0.279SS..Hα-helixtrans-61.7-48.8175.5-51.50000110.9V60 T96 R101 Q102 L103V60-T99 HydrophobicContact CB-CG2 4.05Å; V60-T99 HydrophobicContact CG1-CG2 3.86Å; V60-T99 HydrophobicContact CG2-CG2 4.42Å; T96-T99 PolarHBondContact O-N 2.88Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.23Å; T99-Q102 PolarHBondContact O-N 3.01Å; T99-Q102 VanDerWaalsContact O-N 3.12Å; T99-L103 HydrophobicContact CG2-CD1 4.41Å; T99-L103 HydrophobicContact CG2-CG 4.5Å; T99-L103 WeakPolarHBondContact O-CG 3.42Å; T99-L103 PolarHBondContact O-N 3.22Å
100L96.1Very high94.5Very high3 Ų355.8 Ų55.82%0.01629%0.29CS..Hα-helixtrans-58.6-40.9177.3-80.2169.8000112.5V85 I87 T96 L97 L103 V104 T129 H131V85-L100 HydrophobicContact CG2-CD2 3.85Å; I87-L100 HydrophobicContact CB-CD2 4.07Å; I87-L100 HydrophobicContact CG2-CD1 3.8Å; I87-L100 HydrophobicContact CG2-CD2 3.72Å; I87-L100 HydrophobicContact CG2-CG 3.86Å; T96-L100 PolarHBondContact O-N 3Å; L97-L100 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 2.84Å; L100-V104 WeakPolarHBondContact O-CG2 3.41Å; L100-V104 PolarHBondContact O-N 2.93Å; L100-T129 HydrophobicContact CB-CG2 3.97Å; L100-T129 HydrophobicContact CD2-CG2 4.35Å; L100-H131 HydrophobicContact CD1-CB 4.17Å
101R96Very high94.7Very high65 Ų6551.1 Ų51.125%0.24527%0.269CS..Hα-helixtrans-58.8-54.2172.4-175.1-156.2-174.386.86.3110.5L97 T98 T99 L103 V104 F105 F144 P149 S151L97-R101 WeakPolarHBondContact O-CB 3.4Å; L97-R101 PolarHBondContact O-N 2.82Å; T98-R101 WeakPolarHBondContact O-CB 3.4Å; T98-R101 PolarHBondContact O-N 3.43Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.23Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 2.88Å; R101-V104 PolarHBondContact O-N 3.45Å; R101-F105 HydrophobicContact CG-CD2 3.86Å; R101-F105 HydrophobicContact CG-CE2 3.85Å; R101-F105 VanDerWaalsContact O-CD2 3.32Å; R101-F105 WeakPolarHBondContact O-CD2 2.95Å; R101-F105 PolarHBondContact O-N 2.94Å; R101-F105 VanDerWaalsContact O-N 3.14Å; R101-F144 HydrophobicContact CB-CE1 3.99Å; R101-F144 HydrophobicContact CB-CE2 4.28Å; R101-F144 HydrophobicContact CB-CZ 3.78Å; R101-F144 HydrophobicContact CG-CD1 4.14Å; R101-F144 HydrophobicContact CG-CE1 3.83Å; R101-F144 HydrophobicContact CG-CZ 4.14Å; R101-P149 PolarHBondContact NH2-O 3.38Å; R101-S151 PolarHBondContact NH1-O 3.39Å; R101-S151 PolarHBondContact NH2-O 2.83Å
102Q95.4Very high94.8Very high104 Ų10450.3 Ų50.349%0.48626%0.263SS..Hα-helixtrans-57.7-41.8-178.2-73.4172.9-23.600112T98 T99 S106T98-Q102 WeakPolarHBondContact O-CG 3.5Å; T98-Q102 PolarHBondContact O-N 2.84Å; T99-Q102 PolarHBondContact O-N 3.01Å; T99-Q102 VanDerWaalsContact O-N 3.12Å; Q102-S106 WeakPolarHBondContact O-CB 3.46Å; Q102-S106 PolarHBondContact O-N 2.77Å; Q102-S106 VanDerWaalsContact O-N 3.13Å; Q102-S106 PolarHBondContact O-OG 2.88Å
103L96.6Very high94.8Very high1 Ų149.5 Ų49.51%0.00527%0.265CS..Hα-helixtrans-59-54.3175.6-72.3177.9000111.8T27 V60 K62 V65 V85 T99 L100 R101 F105 S106 V107T27-L103 HydrophobicContact CG2-CD1 4.48Å; V60-L103 HydrophobicContact CG1-CD1 3.94Å; V60-L103 HydrophobicContact CG1-CD2 4.02Å; V60-L103 HydrophobicContact CG1-CG 4.33Å; K62-L103 HydrophobicContact CB-CD2 4.15Å; K62-L103 HydrophobicContact CG-CD2 4.26Å; V65-L103 HydrophobicContact CB-CD2 3.87Å; V65-L103 HydrophobicContact CG1-CD2 3.97Å; V65-L103 HydrophobicContact CG2-CD2 4.16Å; V85-L103 HydrophobicContact CG2-CB 4.08Å; V85-L103 HydrophobicContact CG2-CD1 4.38Å; T99-L103 HydrophobicContact CG2-CD1 4.41Å; T99-L103 HydrophobicContact CG2-CG 4.5Å; T99-L103 WeakPolarHBondContact O-CG 3.42Å; T99-L103 PolarHBondContact O-N 3.22Å; L100-L103 PolarHBondContact O-N 2.84Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 2.88Å; L103-F105 VanDerWaalsContact C-N 3.35Å; L103-F105 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact O-N 3.42Å; L103-V107 WeakPolarHBondContact O-CB 2.95Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.33Å
104V96.8Very high94.8Very high2 Ų250.8 Ų50.81%0.01227%0.269CS..Hα-helixtrans-57.1-47-177.8164.40000112.3V85 L100 R101 S106 E108 C127 T129 V146V85-V104 HydrophobicContact CG2-CG2 3.66Å; L100-V104 WeakPolarHBondContact O-CG2 3.41Å; L100-V104 PolarHBondContact O-N 2.93Å; R101-V104 PolarHBondContact O-N 3.45Å; V104-S106 PolarHBondContact O-N 3.25Å; V104-E108 PolarHBondContact O-N 3.36Å; V104-C127 HydrophobicContact CG1-CB 3.41Å; V104-C127 VanDerWaalsContact CG1-CB 3.41Å; V104-T129 HydrophobicContact CB-CG2 4.46Å; V104-T129 HydrophobicContact CG2-CG2 3.31Å; V104-V146 HydrophobicContact CG1-CG1 3.69Å
105F96.8Very high94.7Very high28 Ų2846.5 Ų46.512%0.12325%0.248CC..Hα-helixtrans-64.2-33.5179.4-84.6-88.5000112R101 L103 N109 F144 D148R101-F105 HydrophobicContact CG-CD2 3.86Å; R101-F105 HydrophobicContact CG-CE2 3.85Å; R101-F105 VanDerWaalsContact O-CD2 3.32Å; R101-F105 WeakPolarHBondContact O-CD2 2.95Å; R101-F105 PolarHBondContact O-N 2.94Å; R101-F105 VanDerWaalsContact O-N 3.14Å; L103-F105 VanDerWaalsContact C-N 3.35Å; L103-F105 PolarHBondContact O-N 3.48Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3Å; F105-N109 PolarHBondContact O-ND2 3.37Å; F105-N109 VanDerWaalsContact O-ND2 3.14Å; F105-N109 PolarHBondContact O-OD1 3.32Å; F105-F144 HydrophobicContact CE2-CB 4.29Å; F105-D148 WeakPolarHBondContact CZ-O 3.23Å
106S96.8Very high94.8Very high21 Ų2142.8 Ų42.815%0.14723%0.228CC..Hα-helixtrans-79.9-40.7-176.2-52.10000111.8K62 S66 Q102 L103 V104 N109 L110K62-S106 VanDerWaalsContact CE-CB 3.46Å; K62-S106 WeakPolarHBondContact CE-OG 3.17Å; S66-S106 WeakPolarHBondContact OG-CB 3.39Å; Q102-S106 WeakPolarHBondContact O-CB 3.46Å; Q102-S106 PolarHBondContact O-N 2.77Å; Q102-S106 VanDerWaalsContact O-N 3.13Å; Q102-S106 PolarHBondContact O-OG 2.88Å; L103-S106 PolarHBondContact O-N 3.42Å; V104-S106 PolarHBondContact O-N 3.25Å; S106-N109 PolarHBondContact O-N 3.13Å; S106-L110 WeakPolarHBondContact O-CB 3.35Å; S106-L110 PolarHBondContact O-N 2.82Å
107V97.5Very high94.6Very high6 Ų644.6 Ų44.64%0.03623%0.234CC..Hα-helixtrans-56-53.9169.31660000110.4V65 A69 V82 V85 L103 N109 L110 I111V65-V107 HydrophobicContact CG1-CG2 4.27Å; A69-V107 HydrophobicContact CB-CB 4.2Å; A69-V107 HydrophobicContact CB-CG1 3.5Å; A69-V107 HydrophobicContact CB-CG2 3.8Å; V82-V107 HydrophobicContact CG1-CG1 4.26Å; V85-V107 HydrophobicContact CG1-CG2 4.06Å; L103-V107 WeakPolarHBondContact O-CB 2.95Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.33Å; V107-N109 PolarHBondContact O-N 2.93Å; V107-L110 PolarHBondContact O-N 3.34Å; V107-I111 HydrophobicContact CG1-CD1 3.66Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 2.96Å
108E95.7Very high94.2Very high27 Ų2747.4 Ų47.413%0.12625%0.253CS..Hα-helixtrans-68.4-38.2-177.8-177.662.8-165.900112V104 L110 S112 R115 V146V104-E108 PolarHBondContact O-N 3.36Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.34Å; E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.66Å; E108-S112 PolarHBondContact O-OG 3.02Å; E108-R115 IonicContact OE1-CZ 3.45Å; E108-R115 IonicContact OE1-NH1 3.3Å; E108-R115 PolarHBondContact OE1-NH1 2.77Å; E108-R115 IonicContact OE1-NH2 2.84Å; E108-R115 PolarHBondContact OE1-NH2 2.9Å; E108-R115 IonicContact OE2-NH2 2.69Å; E108-R115 PolarHBondContact OE2-NH2 3.17Å; E108-V146 HydrophobicContact CB-CB 4.32Å; E108-V146 HydrophobicContact CB-CG1 4.2Å; E108-V146 HydrophobicContact CG-CB 4Å; E108-V146 HydrophobicContact CG-CG1 4.29Å; E108-V146 HydrophobicContact CG-CG2 3.69Å
109N95.1Very high93.8Very high100 Ų10045.8 Ų45.854%0.53524%0.244SC..Hα-helixtrans-59.8-42.6175.8-76.6-16.1000111.7F105 S106 V107 S112 S113F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3Å; F105-N109 PolarHBondContact O-ND2 3.37Å; F105-N109 VanDerWaalsContact O-ND2 3.14Å; F105-N109 PolarHBondContact O-OD1 3.32Å; S106-N109 PolarHBondContact O-N 3.13Å; V107-N109 PolarHBondContact O-N 2.93Å; N109-S112 PolarHBondContact O-OG 2.99Å; N109-S113 WeakPolarHBondContact O-CB 3.44Å; N109-S113 PolarHBondContact O-N 3.44Å
110L95.6Very high93.4Very high53 Ų5345.2 Ų45.228%0.27724%0.244SC..Hα-helixtrans-69.8-49.7-179.6-172.857.6000111.2S66 R70 S106 V107 E108 S112 S113S66-L110 WeakPolarHBondContact O-CD2 3.47Å; R70-L110 HydrophobicContact CB-CD2 3.93Å; R70-L110 HydrophobicContact CB-CG 4.12Å; R70-L110 HydrophobicContact CG-CD2 4.37Å; R70-L110 HydrophobicContact CG-CG 4.15Å; S106-L110 WeakPolarHBondContact O-CB 3.35Å; S106-L110 PolarHBondContact O-N 2.82Å; V107-L110 PolarHBondContact O-N 3.34Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.34Å; L110-S112 PolarHBondContact O-N 3.16Å; L110-S113 PolarHBondContact O-N 3.3Å; L110-S113 PolarHBondContact O-OG 3.08Å
111I95.2Very high92.9Very high12 Ų1253.4 Ų53.46%0.06229%0.288CS..Hα-helixtrans-61.4-43178.4-66.7171.5000111.3A69 V82 V107 S113 E114A69-I111 HydrophobicContact CB-CD1 4.1Å; V82-I111 HydrophobicContact CB-CD1 4.14Å; V82-I111 HydrophobicContact CG2-CD1 4.22Å; V107-I111 HydrophobicContact CG1-CD1 3.66Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 2.96Å; I111-S113 VanDerWaalsContact C-N 3.28Å; I111-S113 PolarHBondContact O-N 3.44Å; I111-E114 PolarHBondContact O-N 3Å
112S93.4Very high92.4Very high47 Ų4754.1 Ų54.133%0.32930%0.297SS..Hα-helixtrans-69.9-24.3-178.562.30000113.4E108 N109 L110 E114 R115E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.66Å; E108-S112 PolarHBondContact O-OG 3.02Å; N109-S112 PolarHBondContact O-OG 2.99Å; L110-S112 PolarHBondContact O-N 3.16Å; S112-E114 PolarHBondContact O-N 3.2Å; S112-R115 PolarHBondContact O-N 2.83Å
113S92.2Very high92.2Very high86 Ų8650.9 Ų50.960%0.60128%0.283SS*.Hα-helixtrans-67.5-23.3177.175.50000113.9N109 L110 I111N109-S113 WeakPolarHBondContact O-CB 3.44Å; N109-S113 PolarHBondContact O-N 3.44Å; L110-S113 PolarHBondContact O-N 3.3Å; L110-S113 PolarHBondContact O-OG 3.08Å; I111-S113 VanDerWaalsContact C-N 3.28Å; I111-S113 PolarHBondContact O-N 3.44Å
114E90.3Very high91.9Very high41 Ų4152.9 Ų52.919%0.19230%0.295CS..THydrogen-bonded Turntrans-93.9-5.4177.6-60.4-169.1166.500113.1R70 R74 I111 S112 Q301R70-E114 VanDerWaalsContact CD-OE1 3.31Å; R70-E114 WeakPolarHBondContact CD-OE1 3.48Å; R70-E114 IonicContact CZ-OE1 2.77Å; R70-E114 IonicContact NE-OE1 3.44Å; R70-E114 IonicContact NH1-OE1 3.44Å; R70-E114 PolarHBondContact NH1-OE1 3.24Å; R74-E114 IonicContact CZ-OE2 3.47Å; R74-E114 IonicContact NE-OE2 3.83Å; R74-E114 PolarHBondContact NE-OE2 3.24Å; R74-E114 IonicContact NH2-OE1 2.93Å; R74-E114 PolarHBondContact NH2-OE1 2.96Å; R74-E114 IonicContact NH2-OE2 2.73Å; R74-E114 PolarHBondContact NH2-OE2 2.91Å; I111-E114 PolarHBondContact O-N 3Å; S112-E114 PolarHBondContact O-N 3.2Å; E114-Q301 PolarHBondContact OE1-NE2 2.97Å; E114-Q301 PolarHBondContact OE2-OE1 3.08Å
115R91.3Very high91.7Very high77 Ų7754.2 Ų54.229%0.29130%0.303SS..  trans-75.1129.6179.7-67.6-177.5-176151.39.1110.7E108 S112 W117E108-R115 IonicContact OE1-CZ 3.45Å; E108-R115 IonicContact OE1-NH1 3.3Å; E108-R115 PolarHBondContact OE1-NH1 2.77Å; E108-R115 IonicContact OE1-NH2 2.84Å; E108-R115 PolarHBondContact OE1-NH2 2.9Å; E108-R115 IonicContact OE2-NH2 2.69Å; E108-R115 PolarHBondContact OE2-NH2 3.17Å; S112-R115 PolarHBondContact O-N 2.83Å; R115-W117 HydrophobicContact CB-CD2 4.31Å; R115-W117 HydrophobicContact CB-CE3 4.44Å; R115-W117 HydrophobicContact CB-CH2 4.29Å; R115-W117 HydrophobicContact CB-CZ2 4.17Å; R115-W117 HydrophobicContact CB-CZ3 4.43Å; R115-W117 HydrophobicContact CG-CH2 3.83Å; R115-W117 HydrophobicContact CG-CZ2 3.62Å; R115-W117 HydrophobicContact CG-CZ3 4.43Å
116L92.9Very high91.6Very high35 Ų3554.2 Ų54.218%0.18330%0.304CS..  trans-97.28.9176.2-56.1-177.1000113.8L201 K202 A205 V293 A297L116-L201 HydrophobicContact CD1-CB 3.63Å; L116-K202 HydrophobicContact CD2-CG 4Å; L116-A205 HydrophobicContact CB-CB 3.88Å; L116-A205 WeakPolarHBondContact O-CB 3.34Å; L116-V293 HydrophobicContact CB-CG1 3.67Å; L116-V293 HydrophobicContact CD1-CG1 4.24Å; L116-V293 HydrophobicContact CG-CG1 4.42Å; L116-A297 HydrophobicContact CD1-CB 3.57Å; L116-A297 HydrophobicContact CG-CB 4.22Å
117W90Very high91.5Very high47 Ų4753.9 Ų53.918%0.17830%0.302CS..SBendtrans-120.5153.8174.963.186.5000110.7R115 R290 V293 S294R115-W117 HydrophobicContact CB-CD2 4.31Å; R115-W117 HydrophobicContact CB-CE3 4.44Å; R115-W117 HydrophobicContact CB-CH2 4.29Å; R115-W117 HydrophobicContact CB-CZ2 4.17Å; R115-W117 HydrophobicContact CB-CZ3 4.43Å; R115-W117 HydrophobicContact CG-CH2 3.83Å; R115-W117 HydrophobicContact CG-CZ2 3.62Å; R115-W117 HydrophobicContact CG-CZ3 4.43Å; W117-R290 HydrophobicContact CD2-CB 4.5Å; W117-R290 HydrophobicContact CD2-CG 3.95Å; W117-R290 HydrophobicContact CG-CG 4.11Å; W117-R290 HydrophobicContact CZ2-CB 4.47Å; W117-R290 HydrophobicContact CZ2-CG 4.43Å; W117-V293 HydrophobicContact CE3-CB 4.31Å; W117-V293 HydrophobicContact CE3-CG1 3.92Å; W117-V293 HydrophobicContact CZ3-CG1 4.29Å; W117-S294 WeakPolarHBondContact CH2-OG 3.44Å; W117-S294 WeakPolarHBondContact CZ3-OG 3.49Å
118T85.9Confident91.5Very high105 Ų10553.6 Ų53.664%0.64430%0.3SS*.PPolyproline II helixtrans-82136.8176.2-53.50000109.6A120T118-A120 PolarHBondContact O-N 3.3Å
119P85.6Confident91.6Very high55 Ų5552.4 Ų52.436%0.35730%0.295SS..PPolyproline II helixtrans-59.3128.4170-22.833.4000110.5D123P119-D123 VanDerWaalsContact CA-OD2 3.26Å; P119-D123 WeakPolarHBondContact CA-OD2 3.49Å
120A86.8Confident91.8Very high34 Ų3447.7 Ų47.728%0.28127%0.269SS..PPolyproline II helixtrans-79160.617600000110.9T118 D122 D123T118-A120 PolarHBondContact O-N 3.3Å; A120-D122 WeakPolarHBondContact CB-OD1 3.27Å; A120-D122 PolarHBondContact O-N 2.69Å; A120-D123 PolarHBondContact N-OD2 2.88Å; A120-D123 VanDerWaalsContact O-CB 3.31Å; A120-D123 WeakPolarHBondContact O-CB 3.11Å; A120-D123 PolarHBondContact O-N 2.71Å
121D84.9Confident91.8Very high176 Ų17645.3 Ų45.394%0.94126%0.257SS*.THydrogen-bonded Turntrans-62.1-26.5-178.7-67.8-24.1000113.4D123D121-D123 VanDerWaalsContact C-N 3.34Å
122D86.3Confident91.9Very high80 Ų8045.3 Ų45.343%0.42826%0.257SS..THydrogen-bonded Turntrans-87.5-0.2177.469.7-41.5000113.4A120 K286A120-D122 WeakPolarHBondContact CB-OD1 3.27Å; A120-D122 PolarHBondContact O-N 2.69Å; D122-K286 IonicContact OD1-NZ 3.71Å; D122-K286 PolarHBondContact OD1-NZ 2.84Å; D122-K286 IonicContact OD2-NZ 2.68Å; D122-K286 PolarHBondContact OD2-NZ 3.36Å
123D89.9Confident92Very high36 Ų3643.3 Ų43.319%0.19324%0.243CC..SBendtrans-72134.6173.9-72.3-31.2000111.4P119 A120 D121 K286 R290P119-D123 VanDerWaalsContact CA-OD2 3.26Å; P119-D123 WeakPolarHBondContact CA-OD2 3.49Å; A120-D123 PolarHBondContact N-OD2 2.88Å; A120-D123 VanDerWaalsContact O-CB 3.31Å; A120-D123 WeakPolarHBondContact O-CB 3.11Å; A120-D123 PolarHBondContact O-N 2.71Å; D121-D123 VanDerWaalsContact C-N 3.34Å; D123-K286 WeakPolarHBondContact OD1-CE 3.44Å; D123-K286 IonicContact OD1-NZ 3.43Å; D123-K286 PolarHBondContact OD1-NZ 3.32Å; D123-R290 IonicContact OD1-CZ 2.96Å; D123-R290 IonicContact OD1-NH1 3.79Å; D123-R290 PolarHBondContact OD1-NH1 3.24Å; D123-R290 IonicContact OD1-NH2 2.61Å; D123-R290 PolarHBondContact OD1-NH2 3.07Å; D123-R290 IonicContact OD2-CZ 2.71Å; D123-R290 IonicContact OD2-NH1 2.64Å; D123-R290 PolarHBondContact OD2-NH1 3.27Å; D123-R290 IonicContact OD2-NH2 3.29Å; D123-R290 PolarHBondContact OD2-NH2 2.66Å
124V91.6Very high92Very high42 Ų4240.6 Ų40.626%0.25522%0.223SC..  trans-74127.1175.7173.10000109.6T35 D126T35-V124 WeakPolarHBondContact O-CG2 3.33Å; V124-D126 HydrophobicContact CG1-CB 4.25Å
125T92.7Very high92.1Very high30 Ų3045.3 Ų45.318%0.18424%0.243CC..  trans-104.4-9178.664.90000113.3C127 D145 V146 K147T125-C127 PolarHBondContact O-N 3.09Å; T125-D145 VanDerWaalsContact CB-OD1 3.25Å; T125-D145 WeakPolarHBondContact CB-OD1 3.24Å; T125-D145 PolarHBondContact OG1-OD1 2.77Å; T125-V146 WeakPolarHBondContact O-CG2 3.33Å; T125-V146 PolarHBondContact O-N 2.92Å; T125-K147 HydrophobicContact CG2-CB 4.46Å; T125-K147 HydrophobicContact CG2-CD 3.58Å; T125-K147 HydrophobicContact CG2-CG 3.71Å
126D94.3Very high92.1Very high29 Ų2945 Ų4516%0.15525%0.25CC..EExtended strand (participates in β ladder)trans-75.2121173.8-74.3-79.9000110R3 V124 T143 F144 K154R3-D126 WeakPolarHBondContact CD-OD2 3.28Å; R3-D126 HydrophobicContact CG-CB 4.44Å; R3-D126 IonicContact NH1-OD2 2.85Å; V124-D126 HydrophobicContact CG1-CB 4.25Å; D126-T143 PolarHBondContact OD1-OG1 2.75Å; D126-F144 CarbonylContact C-O 3.6Å; D126-F144 WeakPolarHBondContact CA-O 3.47Å; D126-K154 IonicContact OD1-NZ 3.22Å
127C95.4Very high91.9Very high14 Ų1454.1 Ų54.110%0.09528%0.282CS..EExtended strand (participates in β ladder)trans-101.4142.9168.8-75.50000110.9L83 V104 T125 T143 F144 V146L83-C127 CarbonylContact O-C 3.59Å; L83-C127 VanDerWaalsContact O-CA 3.32Å; L83-C127 WeakPolarHBondContact O-CA 3.47Å; V104-C127 HydrophobicContact CG1-CB 3.41Å; V104-C127 VanDerWaalsContact CG1-CB 3.41Å; T125-C127 PolarHBondContact O-N 3.09Å; C127-T143 CarbonylContact O-C 3.46Å; C127-T143 WeakPolarHBondContact O-CA 3.32Å; C127-F144 PolarHBondContact N-O 3.08Å; C127-F144 PolarHBondContact O-N 3.23Å; C127-V146 HydrophobicContact CB-CG1 3.75Å; C127-V146 VanDerWaalsContact SG-CG1 3.54Å
128V97.2Very high92Very high0 Ų058.4 Ų58.40%030%0.302CS..EExtended strand (participates in β ladder)trans-86.5146.4-179.154.30000113.1Y5 L30 L83 G84 V85 R142 W158Y5-V128 HydrophobicContact CD1-CB 4.31Å; Y5-V128 HydrophobicContact CD1-CG1 4.22Å; Y5-V128 HydrophobicContact CD1-CG2 4.42Å; Y5-V128 HydrophobicContact CD2-CG2 4.35Å; Y5-V128 HydrophobicContact CE1-CB 3.59Å; Y5-V128 HydrophobicContact CE1-CG1 3.62Å; Y5-V128 HydrophobicContact CE1-CG2 4.12Å; Y5-V128 HydrophobicContact CE2-CB 4.05Å; Y5-V128 HydrophobicContact CE2-CG2 4.05Å; Y5-V128 VanDerWaalsContact CZ-CB 3.48Å; L30-V128 HydrophobicContact CB-CG1 4.32Å; L30-V128 HydrophobicContact CD1-CB 4.4Å; L30-V128 HydrophobicContact CD1-CG1 3.56Å; L30-V128 HydrophobicContact CD1-CG2 4.07Å; L83-V128 HydrophobicContact CB-CG1 4.02Å; L83-V128 WeakPolarHBondContact O-CG1 3.26Å; L83-V128 PolarHBondContact O-N 3.32Å; G84-V128 CarbonylContact C-O 3.59Å; G84-V128 WeakPolarHBondContact CA-O 3.38Å; V85-V128 PolarHBondContact N-O 3.26Å; V128-R142 CarbonylContact C-O 3.44Å; V128-W158 HydrophobicContact CG2-CZ3 4.29Å
129T97.6Very high92.5Very high2 Ų256.5 Ų56.51%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-126.3130.1167.555.50000108.9V85 L100 V104 C141 R142 F144V85-T129 HydrophobicContact CG2-CG2 4.25Å; V85-T129 WeakPolarHBondContact O-CA 3.31Å; L100-T129 HydrophobicContact CB-CG2 3.97Å; L100-T129 HydrophobicContact CD2-CG2 4.35Å; V104-T129 HydrophobicContact CB-CG2 4.46Å; V104-T129 HydrophobicContact CG2-CG2 3.31Å; T129-C141 WeakPolarHBondContact O-CA 3.49Å; T129-R142 PolarHBondContact N-O 3.07Å; T129-R142 PolarHBondContact O-N 3.14Å; T129-R142 PolarHBondContact OG1-O 2.88Å; T129-F144 HydrophobicContact CG2-CD2 3.78Å; T129-F144 HydrophobicContact CG2-CE2 3.68Å
130L97.9Very high93Very high0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-119.5120.2178.1-168.174.5000109.4L15 L30 V85 F86 I87 V132 T139 C141 W158L15-L130 HydrophobicContact CD1-CD2 3.77Å; L30-L130 HydrophobicContact CD1-CB 4.02Å; V85-L130 PolarHBondContact O-N 3.35Å; F86-L130 CarbonylContact C-O 3.45Å; F86-L130 WeakPolarHBondContact CA-O 3.15Å; F86-L130 HydrophobicContact CB-CB 3.82Å; F86-L130 HydrophobicContact CB-CD2 4.31Å; I87-L130 PolarHBondContact N-O 3.33Å; L130-V132 HydrophobicContact CD2-CG2 4.04Å; L130-V132 HydrophobicContact CG-CG2 4.1Å; L130-T139 HydrophobicContact CD1-CG2 3.41Å; L130-T139 VanDerWaalsContact CD1-CG2 3.41Å; L130-T139 HydrophobicContact CG-CG2 4.06Å; L130-C141 HydrophobicContact CD1-CB 4Å; L130-W158 HydrophobicContact CD1-CD2 3.74Å; L130-W158 HydrophobicContact CD1-CE3 3.92Å; L130-W158 HydrophobicContact CD1-CG 4.2Å; L130-W158 HydrophobicContact CD1-CH2 4.41Å; L130-W158 HydrophobicContact CD1-CZ2 4.24Å; L130-W158 HydrophobicContact CD1-CZ3 4.25Å; L130-W158 HydrophobicContact CD2-CH2 3.92Å; L130-W158 HydrophobicContact CD2-CZ2 3.6Å
131H97.6Very high93.5Very high4 Ų454.7 Ų54.72%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-103.9127.5167.7175.4-98.7000108.9I87 S89 S91 A93 T96 L100 T139 V140I87-H131 HydrophobicContact CG2-CB 4.29Å; I87-H131 WeakPolarHBondContact O-CA 3.42Å; S89-H131 PolarHBondContact OG-NE2 2.98Å; S91-H131 PolarHBondContact O-CE1 2.89Å; S91-H131 PolarHBondContact O-NE2 3.35Å; A93-H131 HydrophobicContact CB-CB 4.32Å; A93-H131 VanDerWaalsContact CB-ND1 3.32Å; A93-H131 WeakPolarHBondContact CB-ND1 3.45Å; A93-H131 PolarHBondContact N-CE1 3.12Å; T96-H131 PolarHBondContact OG1-CD2 3.5Å; L100-H131 HydrophobicContact CD1-CB 4.17Å; H131-T139 CarbonylContact O-C 3.56Å; H131-T139 WeakPolarHBondContact O-CA 3.26Å; H131-V140 HydrophobicContact CB-CB 4.39Å; H131-V140 PolarHBondContact N-O 3.35Å; H131-V140 PolarHBondContact O-N 2.78Å
132V96.7Very high94.1Very high11 Ų1148.7 Ų48.77%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-119.8119.3174.6-173.90000108.4I87 I88 S89 L130 P134 T139I87-V132 PolarHBondContact O-N 3.36Å; I88-V132 WeakPolarHBondContact CA-O 3.35Å; I88-V132 HydrophobicContact CG1-CB 4.21Å; I88-V132 HydrophobicContact CG2-CB 4.37Å; S89-V132 PolarHBondContact N-O 2.99Å; S89-V132 VanDerWaalsContact N-O 3.14Å; L130-V132 HydrophobicContact CD2-CG2 4.04Å; L130-V132 HydrophobicContact CG-CG2 4.1Å; V132-P134 WeakPolarHBondContact O-CD 3.32Å; V132-T139 HydrophobicContact CG2-CG2 4.25Å
133N95.1Very high94.6Very high5 Ų545 Ų453%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-98.5110.5175-173.6-68.4000109.8S89 E90 S91 K135 T136 R137 K138S89-N133 WeakPolarHBondContact O-CA 3.17Å; S89-N133 PolarHBondContact O-ND2 2.76Å; E90-N133 PolarHBondContact O-ND2 2.99Å; S91-N133 PolarHBondContact O-ND2 2.88Å; S91-N133 VanDerWaalsContact O-ND2 3.11Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.39Å; N133-K135 WeakPolarHBondContact OD1-CB 3.33Å; N133-K135 PolarHBondContact OD1-N 2.84Å; N133-K135 VanDerWaalsContact OD1-N 3.14Å; N133-T136 WeakPolarHBondContact CB-OG1 3.29Å; N133-T136 VanDerWaalsContact CG-OG1 3.29Å; N133-T136 PolarHBondContact O-N 2.81Å; N133-T136 PolarHBondContact OD1-N 2.82Å; N133-T136 PolarHBondContact OD1-OG1 2.92Å; N133-T136 VanDerWaalsContact OD1-OG1 3.06Å; N133-R137 VanDerWaalsContact O-CA 3.25Å; N133-R137 WeakPolarHBondContact O-CA 3.33Å; N133-R137 PolarHBondContact O-N 2.81Å; N133-K138 PolarHBondContact N-O 3.46Å
134P92.9Very high94.9Very high29 Ų2943.3 Ų43.319%0.18821%0.21CC..THydrogen-bonded Turntrans-67.4-29.9-174.426.6-33.5000112.6C19 L22 I88 S89 E90 V132C19-P134 HydrophobicContact CB-CB 3.99Å; L22-P134 HydrophobicContact CD1-CG 4.32Å; L22-P134 HydrophobicContact CD2-CG 4.27Å; I88-P134 HydrophobicContact CG2-CG 4.39Å; S89-P134 VanDerWaalsContact O-CD 3.31Å; S89-P134 WeakPolarHBondContact O-CD 3.18Å; E90-P134 HydrophobicContact CG-CG 4.43Å; V132-P134 WeakPolarHBondContact O-CD 3.32Å
135K91.1Very high95Very high141 Ų14143.2 Ų43.261%0.61321%0.208SC*.THydrogen-bonded Turntrans-69.9-47179.2-72.7-178.4171.6159.60112.4E90 N133E90-K135 HydrophobicContact CB-CD 4.26Å; E90-K135 HydrophobicContact CG-CD 4.32Å; E90-K135 WeakPolarHBondContact OE1-CE 3.32Å; E90-K135 IonicContact OE1-NZ 3.79Å; E90-K135 PolarHBondContact OE1-NZ 2.82Å; E90-K135 WeakPolarHBondContact OE2-CE 3.27Å; E90-K135 IonicContact OE2-NZ 2.68Å; E90-K135 PolarHBondContact OE2-NZ 2.99Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.39Å; N133-K135 WeakPolarHBondContact OD1-CB 3.33Å; N133-K135 PolarHBondContact OD1-N 2.84Å; N133-K135 VanDerWaalsContact OD1-N 3.14Å
136T91.5Very high95.1Very high70 Ų7042.7 Ų42.743%0.42921%0.205SC..THydrogen-bonded Turntrans-91.7-10-176.963.10000113.1N133 K138N133-T136 WeakPolarHBondContact CB-OG1 3.29Å; N133-T136 VanDerWaalsContact CG-OG1 3.29Å; N133-T136 PolarHBondContact O-N 2.81Å; N133-T136 PolarHBondContact OD1-N 2.82Å; N133-T136 PolarHBondContact OD1-OG1 2.92Å; N133-T136 VanDerWaalsContact OD1-OG1 3.06Å; T136-K138 PolarHBondContact O-N 3.49Å; T136-K138 WeakPolarHBondContact OG1-CB 3.36Å; T136-K138 PolarHBondContact OG1-N 2.98Å
137R88.9Confident94.9Very high226 Ų22647.3 Ų47.385%0.85322%0.223SC*.THydrogen-bonded Turntrans53.626.9-171.2-55.2-174.7-179.2-157.1-0.4113.1N133N133-R137 VanDerWaalsContact O-CA 3.25Å; N133-R137 WeakPolarHBondContact O-CA 3.33Å; N133-R137 PolarHBondContact O-N 2.81Å
138K93.3Very high94.8Very high138 Ų13849.8 Ų49.860%0.624%0.236SC*.EExtended strand (participates in β ladder)trans-89.4131.2177.3-70.7-178.4179.8176.90109.6N133 T136N133-K138 PolarHBondContact N-O 3.46Å; T136-K138 PolarHBondContact O-N 3.49Å; T136-K138 WeakPolarHBondContact OG1-CB 3.36Å; T136-K138 PolarHBondContact OG1-N 2.98Å
139T95.4Very high94.4Very high64 Ų6454.6 Ų54.639%0.39327%0.267SS..EExtended strand (participates in β ladder)trans-110.7125.4172.3-57.80000108.7L130 H131 V132L130-T139 HydrophobicContact CD1-CG2 3.41Å; L130-T139 VanDerWaalsContact CD1-CG2 3.41Å; L130-T139 HydrophobicContact CG-CG2 4.06Å; H131-T139 CarbonylContact O-C 3.56Å; H131-T139 WeakPolarHBondContact O-CA 3.26Å; V132-T139 HydrophobicContact CG2-CG2 4.25Å
140V96.9Very high94.2Very high40 Ų4062.9 Ų62.924%0.24230%0.303CS..EExtended strand (participates in β ladder)trans-119.8114.2179.9-179.10000108.7A93 H131 R142A93-V140 HydrophobicContact CB-CB 4Å; A93-V140 HydrophobicContact CB-CG1 4.25Å; A93-V140 HydrophobicContact CB-CG2 3.7Å; H131-V140 HydrophobicContact CB-CB 4.39Å; H131-V140 PolarHBondContact N-O 3.35Å; H131-V140 PolarHBondContact O-N 2.78Å; V140-R142 HydrophobicContact CG1-CG 4.25Å
141C97.1Very high93.9Very high11 Ų1163 Ų637%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-105.3127.4179.2-177.10000110.4T129 L130 A156 W158T129-C141 WeakPolarHBondContact O-CA 3.49Å; L130-C141 HydrophobicContact CD1-CB 4Å; C141-A156 PolarHBondContact O-N 3.03Å; C141-A156 VanDerWaalsContact O-N 3.13Å; C141-W158 HydrophobicContact CB-CB 3.88Å
142R96.5Very high93.7Very high51 Ų5168.1 Ų68.119%0.19234%0.335CS..EExtended strand (participates in β ladder)trans-139.5155177.4-60.9-174179.6116.2-5.7110.9A93 V128 T129 V140 A153 K154A93-R142 PolarHBondContact O-NH1 3.03Å; V128-R142 CarbonylContact C-O 3.44Å; T129-R142 PolarHBondContact N-O 3.07Å; T129-R142 PolarHBondContact O-N 3.14Å; T129-R142 PolarHBondContact OG1-O 2.88Å; V140-R142 HydrophobicContact CG1-CG 4.25Å; R142-A153 HydrophobicContact CB-CB 4.31Å; R142-K154 CarbonylContact C-O 3.59Å; R142-K154 WeakPolarHBondContact CA-O 3.16Å
143T96.6Very high93.6Very high1 Ų168.7 Ų68.71%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-119.2153.2174.565.60000112.6R3 Y5 D126 C127 A153 K154 A156R3-T143 HydrophobicContact CB-CG2 4.33Å; Y5-T143 HydrophobicContact CE2-CG2 3.66Å; Y5-T143 VanDerWaalsContact OH-CG2 3.28Å; Y5-T143 WeakPolarHBondContact OH-CG2 3.3Å; D126-T143 PolarHBondContact OD1-OG1 2.75Å; C127-T143 CarbonylContact O-C 3.46Å; C127-T143 WeakPolarHBondContact O-CA 3.32Å; T143-A153 WeakPolarHBondContact O-CA 3.39Å; T143-K154 PolarHBondContact N-O 3.27Å; T143-K154 PolarHBondContact O-N 2.62Å; T143-A156 HydrophobicContact CG2-CB 3.8Å
144F96.3Very high93.6Very high2 Ų273 Ų731%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-126.1127.8170.3-64.2-85.4000109.1L97 R101 F105 D126 C127 T129 V146 A153L97-F144 HydrophobicContact CD1-CE2 4.42Å; L97-F144 HydrophobicContact CD1-CZ 3.79Å; R101-F144 HydrophobicContact CB-CE1 3.99Å; R101-F144 HydrophobicContact CB-CE2 4.28Å; R101-F144 HydrophobicContact CB-CZ 3.78Å; R101-F144 HydrophobicContact CG-CD1 4.14Å; R101-F144 HydrophobicContact CG-CE1 3.83Å; R101-F144 HydrophobicContact CG-CZ 4.14Å; F105-F144 HydrophobicContact CE2-CB 4.29Å; D126-F144 CarbonylContact C-O 3.6Å; D126-F144 WeakPolarHBondContact CA-O 3.47Å; C127-F144 PolarHBondContact N-O 3.08Å; C127-F144 PolarHBondContact O-N 3.23Å; T129-F144 HydrophobicContact CG2-CD2 3.78Å; T129-F144 HydrophobicContact CG2-CE2 3.68Å; F144-V146 PolarHBondContact O-N 2.82Å; F144-A153 HydrophobicContact CD1-CB 4.36Å; F144-A153 HydrophobicContact CE1-CB 3.54Å; F144-A153 HydrophobicContact CE2-CB 4.33Å; F144-A153 HydrophobicContact CZ-CB 3.53Å
145D95.1Very high93.7Very high39 Ų3976.3 Ų76.321%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-67.2110.6162.6-173.7-7000109.5T125 K147 D148 S151T125-D145 VanDerWaalsContact CB-OD1 3.25Å; T125-D145 WeakPolarHBondContact CB-OD1 3.24Å; T125-D145 PolarHBondContact OG1-OD1 2.77Å; D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact O-N 2.74Å; D145-K147 PolarHBondContact OD1-N 2.96Å; D145-K147 VanDerWaalsContact OD1-N 3.14Å; D145-D148 HydrophobicContact CB-CB 4.47Å; D145-D148 PolarHBondContact O-N 2.67Å; D145-S151 PolarHBondContact N-OG 2.81Å; D145-S151 WeakPolarHBondContact O-CB 3.36Å; D145-S151 PolarHBondContact O-OG 2.72Å
146V93.3Very high93.9Very high20 Ų2070.2 Ų70.212%0.12136%0.357CS..THydrogen-bonded Turntrans-75.5-18.1-176-60.50000113.2V104 E108 T125 C127 F144 D148V104-V146 HydrophobicContact CG1-CG1 3.69Å; E108-V146 HydrophobicContact CB-CB 4.32Å; E108-V146 HydrophobicContact CB-CG1 4.2Å; E108-V146 HydrophobicContact CG-CB 4Å; E108-V146 HydrophobicContact CG-CG1 4.29Å; E108-V146 HydrophobicContact CG-CG2 3.69Å; T125-V146 WeakPolarHBondContact O-CG2 3.33Å; T125-V146 PolarHBondContact O-N 2.92Å; C127-V146 HydrophobicContact CB-CG1 3.75Å; C127-V146 VanDerWaalsContact SG-CG1 3.54Å; F144-V146 PolarHBondContact O-N 2.82Å; V146-D148 VanDerWaalsContact C-N 3.29Å
147K90.9Very high94.1Very high125 Ų12571 Ų7154%0.54336%0.359SS..THydrogen-bonded Turntrans-77.9-16.2174.1-71.7-162.3-175.1169.40112.7T125 D145 P149T125-K147 HydrophobicContact CG2-CB 4.46Å; T125-K147 HydrophobicContact CG2-CD 3.58Å; T125-K147 HydrophobicContact CG2-CG 3.71Å; D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact O-N 2.74Å; D145-K147 PolarHBondContact OD1-N 2.96Å; D145-K147 VanDerWaalsContact OD1-N 3.14Å; K147-P149 WeakPolarHBondContact O-CD 3.16Å
148D92.9Very high94.4Very high67 Ų6762 Ų6236%0.35833%0.325SS..  trans-106.4104175.817514.1000110.6F105 D145 V146 K150 S151F105-D148 WeakPolarHBondContact CZ-O 3.23Å; D145-D148 HydrophobicContact CB-CB 4.47Å; D145-D148 PolarHBondContact O-N 2.67Å; V146-D148 VanDerWaalsContact C-N 3.29Å; D148-K150 PolarHBondContact O-N 3.05Å; D148-K150 WeakPolarHBondContact OD1-CA 3.36Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.45Å; D148-S151 VanDerWaalsContact CG-N 3.29Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 2.98Å; D148-S151 PolarHBondContact OD1-N 3.5Å; D148-S151 WeakPolarHBondContact OD2-CA 3.4Å; D148-S151 PolarHBondContact OD2-N 3.17Å
149P89.7Confident94.5Very high101 Ų10160.2 Ų60.266%0.65632%0.317SS*.THydrogen-bonded Turntrans-57.1-21.8176.7-25.534.5000114.2R101 K147R101-P149 PolarHBondContact NH2-O 3.38Å; K147-P149 WeakPolarHBondContact O-CD 3.16Å
150K91.9Very high94.6Very high175 Ų17560.6 Ų60.676%0.76131%0.312SS*.THydrogen-bonded Turntrans-97.32.1178.4-60.5-179.8-177.9175.60113.1D148 V152D148-K150 PolarHBondContact O-N 3.05Å; D148-K150 WeakPolarHBondContact OD1-CA 3.36Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.45Å; K150-V152 PolarHBondContact O-N 3.32Å
151S92.8Very high94.4Very high3 Ų363.5 Ų63.52%0.02132%0.323CS..  trans-45.8128.3-179.6172.20000111.8R101 D145 D148R101-S151 PolarHBondContact NH1-O 3.39Å; R101-S151 PolarHBondContact NH2-O 2.83Å; D145-S151 PolarHBondContact N-OG 2.81Å; D145-S151 WeakPolarHBondContact O-CB 3.36Å; D145-S151 PolarHBondContact O-OG 2.72Å; D148-S151 VanDerWaalsContact CG-N 3.29Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 2.98Å; D148-S151 PolarHBondContact OD1-N 3.5Å; D148-S151 WeakPolarHBondContact OD2-CA 3.4Å; D148-S151 PolarHBondContact OD2-N 3.17Å
152V92.1Very high94.1Very high111 Ų11167.1 Ų67.167%0.67335%0.348SS*.PPolyproline II helixtrans-96.6146.1177.7-1790000109.1K150 K154K150-V152 PolarHBondContact O-N 3.32Å; V152-K154 PolarHBondContact O-N 3.4Å; V152-K154 VanDerWaalsContact O-N 3.16Å
153A94.3Very high93.6Very high23 Ų2366 Ų6619%0.1935%0.353CS..PPolyproline II helixtrans-60.1118.4-179.400000111.3L97 R142 T143 F144L97-A153 HydrophobicContact CD1-CB 3.93Å; L97-A153 HydrophobicContact CD2-CB 4.41Å; R142-A153 HydrophobicContact CB-CB 4.31Å; T143-A153 WeakPolarHBondContact O-CA 3.39Å; F144-A153 HydrophobicContact CD1-CB 4.36Å; F144-A153 HydrophobicContact CE1-CB 3.54Å; F144-A153 HydrophobicContact CE2-CB 4.33Å; F144-A153 HydrophobicContact CZ-CB 3.53Å
154K95.4Very high93.2Very high95 Ų9566.3 Ų66.341%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-98.5131.6177.1-62.1170-166.2160.80109D126 R142 T143 V152D126-K154 IonicContact OD1-NZ 3.22Å; R142-K154 CarbonylContact C-O 3.59Å; R142-K154 WeakPolarHBondContact CA-O 3.16Å; T143-K154 PolarHBondContact N-O 3.27Å; T143-K154 PolarHBondContact O-N 2.62Å; V152-K154 PolarHBondContact O-N 3.4Å; V152-K154 VanDerWaalsContact O-N 3.16Å
155P95.2Very high92.8Very high99 Ų9966.6 Ų66.664%0.64336%0.357SS*.EExtended strand (participates in β ladder)trans-58.3143171.5-21.832.7000111G2G2-P155 VanDerWaalsContact CA-O 3.25Å; G2-P155 WeakPolarHBondContact CA-O 3.42Å
156A95.4Very high92.3Very high14 Ų1468.9 Ų68.912%0.11638%0.376CS..  trans-133.3150.5175.400000111.3R3 Y5 C141 T143R3-A156 HydrophobicContact CB-CB 4.47Å; R3-A156 CarbonylContact O-C 3.55Å; R3-A156 VanDerWaalsContact O-CA 3.28Å; R3-A156 WeakPolarHBondContact O-CA 3.48Å; R3-A156 VanDerWaalsContact O-CB 3.3Å; R3-A156 WeakPolarHBondContact O-CB 3.37Å; Y5-A156 HydrophobicContact CD2-CB 4.1Å; Y5-A156 HydrophobicContact CE2-CB 3.88Å; C141-A156 PolarHBondContact O-N 3.03Å; C141-A156 VanDerWaalsContact O-N 3.13Å; T143-A156 HydrophobicContact CG2-CB 3.8Å
157D95.4Very high91.8Very high86 Ų8670.4 Ų70.446%0.4639%0.388SS..EExtended strand (participates in β ladder)trans-77.3134.2176.3-77.8-2.5000109.6R3 Y5 K159R3-D157 PolarHBondContact O-N 3.5Å; Y5-D157 PolarHBondContact N-O 3.18Å; D157-K159 IonicContact OD2-NZ 2.75Å; D157-K159 PolarHBondContact OD2-NZ 2.88Å
158W96.2Very high91.8Very high38 Ų3864.8 Ų64.814%0.14436%0.363CS..EExtended strand (participates in β ladder)trans-122.2114.1175.5-173.8-92.7000108.8Y5 V7 L30 V41 V128 L130 C141 Y160Y5-W158 HydrophobicContact CD1-CZ3 4.45Å; Y5-W158 HydrophobicContact CG-CE3 4.14Å; Y5-W158 HydrophobicContact CG-CZ3 4.24Å; V7-W158 HydrophobicContact CB-CZ2 4.24Å; V7-W158 HydrophobicContact CG1-CH2 4.27Å; V7-W158 HydrophobicContact CG1-CZ2 3.71Å; V7-W158 HydrophobicContact CG2-CD2 3.76Å; V7-W158 HydrophobicContact CG2-CE3 3.94Å; V7-W158 HydrophobicContact CG2-CG 4.45Å; V7-W158 HydrophobicContact CG2-CH2 3.76Å; V7-W158 HydrophobicContact CG2-CZ2 3.59Å; V7-W158 HydrophobicContact CG2-CZ3 3.94Å; L30-W158 HydrophobicContact CD1-CH2 4.04Å; L30-W158 HydrophobicContact CD1-CZ3 4.14Å; L30-W158 HydrophobicContact CD2-CH2 4.04Å; V41-W158 HydrophobicContact CB-CH2 4.45Å; V41-W158 HydrophobicContact CG1-CH2 4.32Å; V41-W158 HydrophobicContact CG2-CH2 3.95Å; V41-W158 HydrophobicContact CG2-CZ3 3.98Å; V128-W158 HydrophobicContact CG2-CZ3 4.29Å; L130-W158 HydrophobicContact CD1-CD2 3.74Å; L130-W158 HydrophobicContact CD1-CE3 3.92Å; L130-W158 HydrophobicContact CD1-CG 4.2Å; L130-W158 HydrophobicContact CD1-CH2 4.41Å; L130-W158 HydrophobicContact CD1-CZ2 4.24Å; L130-W158 HydrophobicContact CD1-CZ3 4.25Å; L130-W158 HydrophobicContact CD2-CH2 3.92Å; L130-W158 HydrophobicContact CD2-CZ2 3.6Å; C141-W158 HydrophobicContact CB-CB 3.88Å; W158-Y160 AromaticContact CD1-CE2 3.98Å; W158-Y160 AromaticContact CD1-CZ 3.84Å; W158-Y160 AromaticContact NE1-CE1 3.48Å; W158-Y160 AromaticContact NE1-CE2 3.78Å; W158-Y160 AromaticContact NE1-CZ 3.16Å; W158-Y160 PolarHBondContact NE1-OH 3.47Å
159K96Very high91.7Very high100 Ų10061.8 Ų61.844%0.43535%0.347SS..EExtended strand (participates in β ladder)trans-133.3118.7-171.6-67173.2-174.9148.80110.5Y5 I6 V7 D157Y5-K159 PolarHBondContact O-N 2.76Å; I6-K159 CarbonylContact C-O 3.52Å; I6-K159 WeakPolarHBondContact CA-O 3.2Å; I6-K159 HydrophobicContact CD1-CB 4.3Å; V7-K159 PolarHBondContact N-O 3.33Å; D157-K159 IonicContact OD2-NZ 2.75Å; D157-K159 PolarHBondContact OD2-NZ 2.88Å
160Y96.1Very high91.8Very high72 Ų7257 Ų5728%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-73.8140.2171.9-60.4-68.9000110.8V7 E12 W158V7-Y160 HydrophobicContact CB-CD1 3.74Å; V7-Y160 HydrophobicContact CB-CE1 4.07Å; V7-Y160 HydrophobicContact CG1-CD1 3.65Å; V7-Y160 HydrophobicContact CG1-CE1 3.59Å; V7-Y160 CarbonylContact O-C 3.58Å; V7-Y160 VanDerWaalsContact O-CA 3.31Å; V7-Y160 WeakPolarHBondContact O-CA 3.22Å; E12-Y160 HydrophobicContact CB-CD1 3.67Å; E12-Y160 HydrophobicContact CB-CD2 4.35Å; E12-Y160 HydrophobicContact CB-CE1 3.49Å; E12-Y160 VanDerWaalsContact CB-CE1 3.49Å; E12-Y160 HydrophobicContact CB-CE2 4.21Å; E12-Y160 HydrophobicContact CB-CG 4.1Å; E12-Y160 HydrophobicContact CG-CD1 4.29Å; E12-Y160 HydrophobicContact CG-CD2 4.09Å; E12-Y160 HydrophobicContact CG-CE1 3.99Å; E12-Y160 HydrophobicContact CG-CE2 3.78Å; E12-Y160 HydrophobicContact CG-CG 4.33Å; W158-Y160 AromaticContact CD1-CE2 3.98Å; W158-Y160 AromaticContact CD1-CZ 3.84Å; W158-Y160 AromaticContact NE1-CE1 3.48Å; W158-Y160 AromaticContact NE1-CE2 3.78Å; W158-Y160 AromaticContact NE1-CZ 3.16Å; W158-Y160 PolarHBondContact NE1-OH 3.47Å
161Q93.6Very high92Very high100 Ų10048.8 Ų48.847%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-150.1129.9179-174.3-179.2-30.700109.7I6 V7 D9 V164I6-Q161 HydrophobicContact CG2-CB 3.72Å; I6-Q161 HydrophobicContact CG2-CG 4.41Å; I6-Q161 VanDerWaalsContact CG2-OE1 3.29Å; V7-Q161 PolarHBondContact O-N 3.28Å; D9-Q161 PolarHBondContact OD1-N 2.96Å; Q161-V164 HydrophobicContact CB-CG2 4.09Å; Q161-V164 VanDerWaalsContact O-CG2 3.3Å; Q161-V164 WeakPolarHBondContact O-CG2 3.5Å
162S89.8Confident92.1Very high87 Ų8749.5 Ų49.561%0.60829%0.286SS*.THydrogen-bonded Turntrans-65.4140.1172.845.50000112.6D9D9-S162 PolarHBondContact OD1-N 3.33Å; D9-S162 VanDerWaalsContact OD2-CA 3.26Å; D9-S162 WeakPolarHBondContact OD2-CA 3.43Å; D9-S162 WeakPolarHBondContact OD2-CB 3.27Å; D9-S162 PolarHBondContact OD2-N 3Å
163G86.4Confident92.2Very high29 Ų2944.4 Ų44.430%0.29926%0.255SS..THydrogen-bonded Turntrans77.621.8167.200000114E8 C165 S166E8-G163 PolarHBondContact OE1-N 3.5Å; G163-C165 PolarHBondContact O-N 2.97Å; G163-S166 WeakPolarHBondContact O-CB 3.46Å; G163-S166 PolarHBondContact O-N 3.35Å; G163-S166 PolarHBondContact O-OG 3.25Å
164V89.4Confident92.2Very high6 Ų647.7 Ų47.74%0.03628%0.276CS..G310 helixtrans-56-39.2171.7174.50000110.5I6 E8 F40 V42 Q161 S166 W168I6-V164 HydrophobicContact CG2-CG2 3.73Å; E8-V164 HydrophobicContact CB-CB 4.17Å; E8-V164 PolarHBondContact OE2-N 2.86Å; F40-V164 HydrophobicContact CB-CG1 4.11Å; F40-V164 HydrophobicContact CD1-CG1 4.13Å; V42-V164 HydrophobicContact CG1-CG1 4.2Å; Q161-V164 HydrophobicContact CB-CG2 4.09Å; Q161-V164 VanDerWaalsContact O-CG2 3.3Å; Q161-V164 WeakPolarHBondContact O-CG2 3.5Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 2.65Å; V164-W168 PolarHBondContact O-NE1 3.45Å
165C87.7Confident92.2Very high8 Ų844 Ų445%0.05426%0.26CS..G310 helixtrans-76.9-7.8177.7-64.20000114E8 V42 G163 P338 L339E8-C165 VanDerWaalsContact OE2-CB 3.3Å; E8-C165 WeakPolarHBondContact OE2-CB 3.19Å; E8-C165 PolarHBondContact OE2-N 3.06Å; E8-C165 PolarHBondContact OE2-SG 2.87Å; E8-C165 VanDerWaalsContact OE2-SG 3.39Å; V42-C165 VanDerWaalsContact CB-SG 3.57Å; G163-C165 PolarHBondContact O-N 2.97Å; C165-P338 WeakPolarHBondContact O-CD 3.3Å; C165-P338 WeakPolarHBondContact O-CG 3.46Å; C165-L339 HydrophobicContact CB-CD1 4.05Å
166S83.4Confident92.2Very high88 Ų8844 Ų4462%0.61526%0.263SS*.G310 helixtrans-82.6-23.7-171.6710000114.8G163 V164G163-S166 WeakPolarHBondContact O-CB 3.46Å; G163-S166 PolarHBondContact O-N 3.35Å; G163-S166 PolarHBondContact O-OG 3.25Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 2.65Å
167S82.8Confident92Very high52 Ų5243.8 Ų43.836%0.36426%0.26SS..SBendtrans-12161.5-169.4-175.50000112.6
168W90.7Very high91.9Very high7 Ų744.6 Ų44.63%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-114.4135.5175.5-6468.9000111.1Q33 V42 L80 V164 F273 L274 H275 P338 L339Q33-W168 HydrophobicContact CB-CH2 3.53Å; Q33-W168 HydrophobicContact CB-CZ3 3.87Å; Q33-W168 HydrophobicContact CG-CZ3 4.48Å; V42-W168 HydrophobicContact CG1-CH2 4.02Å; V42-W168 HydrophobicContact CG1-CZ2 3.33Å; L80-W168 HydrophobicContact CD2-CH2 3.99Å; L80-W168 HydrophobicContact CD2-CZ3 4.05Å; V164-W168 PolarHBondContact O-NE1 3.45Å; W168-F273 HydrophobicContact CE3-CB 3.65Å; W168-F273 HydrophobicContact CZ3-CB 4Å; W168-L274 WeakPolarHBondContact CA-O 3.31Å; W168-L274 VanDerWaalsContact CE3-C 3.49Å; W168-H275 HydrophobicContact CD2-CB 3.84Å; W168-H275 AromaticContact CE2-CD2 3.48Å; W168-H275 VanDerWaalsContact CE2-CD2 3.48Å; W168-H275 AromaticContact CE2-CG 3.99Å; W168-H275 HydrophobicContact CE3-CB 3.69Å; W168-H275 VanDerWaalsContact CE3-N 3.3Å; W168-H275 HydrophobicContact CH2-CB 3.53Å; W168-H275 HydrophobicContact CZ2-CB 3.57Å; W168-H275 AromaticContact CZ2-CD2 3.56Å; W168-H275 AromaticContact CZ2-CG 3.86Å; W168-H275 HydrophobicContact CZ3-CB 3.58Å; W168-H275 AromaticContact NE1-CD2 3.53Å; W168-P338 HydrophobicContact CB-CB 4.37Å; W168-P338 HydrophobicContact CB-CG 3.82Å; W168-P338 HydrophobicContact CG-CG 4.43Å; W168-L339 HydrophobicContact CB-CD2 4.17Å; W168-L339 HydrophobicContact CD2-CD1 4.35Å; W168-L339 HydrophobicContact CD2-CD2 3.56Å; W168-L339 HydrophobicContact CD2-CG 4.27Å; W168-L339 HydrophobicContact CE3-CD2 3.73Å; W168-L339 HydrophobicContact CG-CD2 3.76Å; W168-L339 HydrophobicContact CG-CG 4.19Å; W168-L339 HydrophobicContact CZ2-CD1 4.31Å; W168-L339 HydrophobicContact CZ3-CD2 4.24Å
169A90.8Very high91.6Very high3 Ų343.3 Ų43.33%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-86.9141.9165.200000109.4I238 F273 L274 P279A169-I238 HydrophobicContact CB-CD1 4.3Å; A169-F273 WeakPolarHBondContact O-CA 3.48Å; A169-L274 HydrophobicContact CB-CB 4.37Å; A169-L274 PolarHBondContact N-O 2.97Å; A169-L274 VanDerWaalsContact N-O 3.11Å; A169-L274 PolarHBondContact O-N 3.4Å; A169-P279 HydrophobicContact CB-CG 4.19Å
170T93.3Very high91.2Very high2 Ų242.7 Ų42.71%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-107.5127.8173.5-580000108.5Q236 T237 I238 R271 A272 F273T170-Q236 PolarHBondContact N-O 3.39Å; T170-T237 CarbonylContact O-C 3.57Å; T170-T237 WeakPolarHBondContact O-CA 3.39Å; T170-I238 PolarHBondContact O-N 3.26Å; T170-R271 HydrophobicContact CG2-CG 3.47Å; T170-R271 VanDerWaalsContact CG2-CG 3.47Å; T170-A272 CarbonylContact C-O 3.59Å; T170-A272 WeakPolarHBondContact CA-O 3.41Å; T170-F273 HydrophobicContact CG2-CD1 4.36Å; T170-F273 HydrophobicContact CG2-CE1 4Å; T170-F273 WeakPolarHBondContact OG1-CE1 3.1Å
171V94.5Very high90.8Very high1 Ų139.4 Ų39.41%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-109.1130.2170-175.90000107.7L226 I238 A240 R271 A272 L274 A284 L288V171-L226 HydrophobicContact CG2-CD1 4.47Å; V171-I238 WeakPolarHBondContact CA-O 3.43Å; V171-I238 HydrophobicContact CG2-CB 4.21Å; V171-I238 HydrophobicContact CG2-CD1 4.39Å; V171-A240 HydrophobicContact CG1-CB 3.68Å; V171-R271 CarbonylContact O-C 3.58Å; V171-R271 WeakPolarHBondContact O-CA 3.43Å; V171-A272 PolarHBondContact N-O 3.49Å; V171-A272 PolarHBondContact O-N 2.96Å; V171-L274 HydrophobicContact CG2-CD1 3.58Å; V171-L274 HydrophobicContact CG2-CG 4.37Å; V171-A284 HydrophobicContact CG2-CB 4.05Å; V171-L288 HydrophobicContact CG1-CD1 4.44Å; V171-L288 HydrophobicContact CG1-CD2 4.13Å
172S95Very high90.4Very high19 Ų1937.7 Ų37.713%0.13325%0.245CC..EExtended strand (participates in β ladder)trans-126.8148.3178.760.20000112.3I238 A240 S270S172-I238 PolarHBondContact N-O 2.99Å; S172-A240 PolarHBondContact O-N 2.99Å; S172-S270 VanDerWaalsContact CA-O 3.25Å; S172-S270 WeakPolarHBondContact CA-O 3.38Å
173C94.9Very high90.1Very high4 Ų434.4 Ų34.43%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-144.6136.1177.2-178.90000109.4A240 S270 L288C173-A240 HydrophobicContact CB-CB 4.34Å; C173-S270 PolarHBondContact N-O 3.01Å; C173-S270 PolarHBondContact O-N 3.13Å; C173-L288 HydrophobicContact CB-CD1 3.89Å; C173-L288 HydrophobicContact CB-CD2 3.8Å; C173-L288 HydrophobicContact CB-CG 4.19Å
174C95.1Very high89.8Confident92 Ų9235.3 Ų35.362%0.62222%0.221SC*.EExtended strand (participates in β ladder)trans-98.1134.4165.9-61.50000108.6I268 H269C174-I268 VanDerWaalsContact CA-O 3.29Å; C174-I268 WeakPolarHBondContact CA-O 3.31Å; C174-H269 PolarHBondContact SG-ND1 3.14Å
175L94.8Very high89Confident16 Ų1640.2 Ų40.28%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-132.5129.7-179.8-177.370.5000110.4W204 I208 I244 A267 I268 I292L175-W204 HydrophobicContact CD2-CZ2 4.14Å; L175-I208 HydrophobicContact CD2-CD1 3.76Å; L175-I244 HydrophobicContact CD1-CD1 3.68Å; L175-I244 HydrophobicContact CD1-CG1 4.46Å; L175-I244 HydrophobicContact CD2-CD1 3.97Å; L175-I244 HydrophobicContact CG-CD1 4.36Å; L175-A267 CarbonylContact O-C 3.45Å; L175-A267 VanDerWaalsContact O-CA 3.31Å; L175-A267 WeakPolarHBondContact O-CA 3.36Å; L175-I268 HydrophobicContact CB-CG1 4.13Å; L175-I268 PolarHBondContact N-O 2.93Å; L175-I268 PolarHBondContact O-N 3.06Å; L175-I292 HydrophobicContact CD2-CD1 4.48Å; L175-I292 HydrophobicContact CD2-CG2 3.58Å
176S93.9Very high88Confident101 Ų10145.8 Ų45.871%0.70627%0.273SS*.EExtended strand (participates in β ladder)trans-78.2130.6167.5-610000109.9G266S176-G266 CarbonylContact C-O 3.5Å; S176-G266 WeakPolarHBondContact CA-O 3.15Å
177V92.9Very high86.6Confident9 Ų950.4 Ų50.46%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-110.9129.5178.7-177.90000107.6L179 W204 V264 R265 G266 I268 V296V177-L179 HydrophobicContact CG1-CD1 4.09Å; V177-L179 HydrophobicContact CG1-CG 3.85Å; V177-W204 HydrophobicContact CG2-CZ2 4.39Å; V177-V264 HydrophobicContact CG1-CG1 4.48Å; V177-R265 CarbonylContact O-C 3.55Å; V177-R265 VanDerWaalsContact O-CA 3.26Å; V177-R265 WeakPolarHBondContact O-CA 3.24Å; V177-G266 PolarHBondContact N-O 3.28Å; V177-G266 PolarHBondContact O-N 3.35Å; V177-I268 HydrophobicContact CG2-CG1 4.23Å; V177-I268 HydrophobicContact CG2-CG2 4.46Å; V177-V296 HydrophobicContact CG1-CG1 4.48Å; V177-V296 HydrophobicContact CG2-CG2 3.94Å
178D91.6Very high85.5Confident103 Ų10350.5 Ų50.555%0.55129%0.291SS*.EExtended strand (participates in β ladder)trans-14691.7171.8-173.96.6000107.9V264 R265D178-V264 WeakPolarHBondContact CA-O 3.45Å; D178-R265 HydrophobicContact CB-CG 4.33Å; D178-R265 VanDerWaalsContact OD1-CG 3.26Å; D178-R265 WeakPolarHBondContact OD1-CG 3.34Å; D178-R265 IonicContact OD1-CZ 2.87Å; D178-R265 IonicContact OD1-NE 2.96Å; D178-R265 PolarHBondContact OD1-NE 2.64Å; D178-R265 IonicContact OD1-NH2 3.33Å; D178-R265 IonicContact OD2-NE 3.77Å
179L90.4Very high83.9Confident10 Ų1056.4 Ų56.45%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-105138.7178.6-52.9176.4000109.2V177 L201 W204 S263 V264 V296V177-L179 HydrophobicContact CG1-CD1 4.09Å; V177-L179 HydrophobicContact CG1-CG 3.85Å; L179-L201 HydrophobicContact CD1-CD2 3.78Å; L179-W204 HydrophobicContact CD1-CD2 4.28Å; L179-W204 HydrophobicContact CD1-CG 4.2Å; L179-W204 HydrophobicContact CD2-CB 3.92Å; L179-W204 HydrophobicContact CD2-CD2 4.22Å; L179-W204 HydrophobicContact CD2-CG 3.52Å; L179-W204 HydrophobicContact CG-CG 4.5Å; L179-S263 CarbonylContact O-C 3.51Å; L179-S263 VanDerWaalsContact O-CA 3.23Å; L179-S263 WeakPolarHBondContact O-CA 3.41Å; L179-S263 PolarHBondContact O-OG 3.01Å; L179-V264 HydrophobicContact CB-CB 4.16Å; L179-V264 HydrophobicContact CD1-CB 4.4Å; L179-V264 PolarHBondContact N-O 3.08Å; L179-V264 PolarHBondContact O-N 2.82Å; L179-V296 HydrophobicContact CD1-CG1 4.48Å
180M88.3Confident82.4Confident87 Ų8759.8 Ų59.843%0.42934%0.337SS..EExtended strand (participates in β ladder)trans-125.4113.8176.2-73.6-65.9-59.400108.3C261 S263 R265M180-C261 HydrophobicContact CE-CB 4.11Å; M180-S263 WeakPolarHBondContact SD-CB 3.32Å; M180-S263 PolarHBondContact SD-OG 2.97Å; M180-R265 PolarHBondContact SD-NH2 3.14Å
181V87.8Confident80.8Confident4 Ų468.7 Ų68.72%0.02437%0.371CS..EExtended strand (participates in β ladder)trans-109.5108.1-174.6-172.80000108.2C196 L197 E200 C261 V262V181-C196 HydrophobicContact CG1-CB 4.02Å; V181-L197 HydrophobicContact CB-CD2 4.16Å; V181-L197 HydrophobicContact CG1-CD2 4.31Å; V181-L197 HydrophobicContact CG2-CD2 3.58Å; V181-E200 HydrophobicContact CB-CB 4.4Å; V181-E200 HydrophobicContact CB-CG 4.34Å; V181-E200 HydrophobicContact CG1-CB 3.97Å; V181-E200 HydrophobicContact CG1-CG 4.4Å; V181-E200 HydrophobicContact CG2-CB 3.8Å; V181-E200 HydrophobicContact CG2-CG 3.59Å; V181-C261 CarbonylContact O-C 3.58Å; V181-C261 WeakPolarHBondContact O-CA 3.37Å; V181-V262 HydrophobicContact CB-CB 4.35Å; V181-V262 PolarHBondContact N-O 2.9Å; V181-V262 PolarHBondContact O-N 3.11Å
182P85Confident79.5Confident64 Ų6471.1 Ų71.142%0.41638%0.383SS..EExtended strand (participates in β ladder)trans-69.8134.7176.127-31.7000110.8C258P182-C258 HydrophobicContact CB-CB 4.47Å; P182-C258 VanDerWaalsContact CB-SG 3.55Å
183L83.6Confident78.8Confident17 Ų1771.6 Ų71.69%0.08938%0.384CS..EExtended strand (participates in β ladder)trans-99.3138.1176.8-62.6-178.9000111.3F189 M193 C196 C258 G259 G260 V262L183-F189 HydrophobicContact CD1-CE2 4.45Å; L183-M193 HydrophobicContact CD2-CB 4.39Å; L183-M193 HydrophobicContact CD2-CG 4.28Å; L183-C196 HydrophobicContact CD2-CB 4.22Å; L183-C258 CarbonylContact O-C 3.5Å; L183-C258 WeakPolarHBondContact O-CA 3.37Å; L183-G259 PolarHBondContact O-N 2.85Å; L183-G260 PolarHBondContact N-O 2.68Å; L183-V262 HydrophobicContact CD1-CG2 3.82Å; L183-V262 HydrophobicContact CD2-CG2 4.07Å; L183-V262 HydrophobicContact CG-CG2 4.09Å
184P79.6Confident78.2Confident48 Ų4873.9 Ų73.931%0.31240%0.396SS..PPolyproline II helixtrans-67.4153.1176.928.7-34.2000111.6N186 N192P184-N186 PolarHBondContact O-N 3.46Å; P184-N186 VanDerWaalsContact O-N 3.12Å; P184-N192 HydrophobicContact CG-CB 4.34Å
185E73.5Confident77.7Confident110 Ų11073.3 Ų73.351%0.51439%0.387SS..SBendtrans-69-6.6-178-159170.2-167.500113.7R257E185-R257 VanDerWaalsContact CD-NE 3.33Å; E185-R257 IonicContact OE1-CZ 2.73Å; E185-R257 IonicContact OE1-NE 2.91Å; E185-R257 PolarHBondContact OE1-NE 3.18Å; E185-R257 IonicContact OE1-NH2 3.78Å; E185-R257 PolarHBondContact OE1-NH2 3.32Å; E185-R257 VanDerWaalsContact OE2-CD 3.3Å; E185-R257 WeakPolarHBondContact OE2-CD 3.39Å; E185-R257 IonicContact OE2-CZ 3.35Å; E185-R257 IonicContact OE2-NE 3.94Å; E185-R257 PolarHBondContact OE2-NE 2.96Å
186N66.4Low77.3Confident125 Ų12574.2 Ų74.267%0.66839%0.394SS*.SBendtrans-93.4135.5-170.4-158.3-5000114.1P184 A188 N192P184-N186 PolarHBondContact O-N 3.46Å; P184-N186 VanDerWaalsContact O-N 3.12Å; N186-A188 VanDerWaalsContact C-N 3.31Å; N186-A188 PolarHBondContact O-N 3.35Å; N186-N192 PolarHBondContact O-ND2 2.89Å
187M54.2Low77Confident184 Ų18469.8 Ų69.891%0.90636%0.362SS*.SBendtrans-69.511.1-158.7-69.6-171164.800118.5F189M187-F189 VanDerWaalsContact C-N 3.31Å; M187-F189 PolarHBondContact O-N 2.73Å
188A58.2Low76.9Confident54 Ų5474.1 Ų74.145%0.44638%0.38SS..  trans-89.768.6172.200000110.5N186 T190 N192N186-A188 VanDerWaalsContact C-N 3.31Å; N186-A188 PolarHBondContact O-N 3.35Å; A188-T190 PolarHBondContact O-N 2.93Å; A188-N192 WeakPolarHBondContact O-CB 3.12Å; A188-N192 PolarHBondContact O-N 2.82Å; A188-N192 PolarHBondContact O-ND2 2.55Å; A188-N192 VanDerWaalsContact O-ND2 3.13Å
189F58Low76.7Confident132 Ų13274.3 Ų74.358%0.57938%0.378SS*.Hα-helixtrans-55.7-45.7-162.2-167.1-101.1000115.2L183 M187 M193L183-F189 HydrophobicContact CD1-CE2 4.45Å; M187-F189 VanDerWaalsContact C-N 3.31Å; M187-F189 PolarHBondContact O-N 2.73Å; F189-M193 VanDerWaalsContact O-CB 3.3Å; F189-M193 WeakPolarHBondContact O-CB 3.47Å; F189-M193 PolarHBondContact O-N 2.84Å
190T58.3Low76.7Confident73 Ų7376.3 Ų76.345%0.44839%0.387SS..Hα-helixtrans-79.9-53-171.549.60000113.5A188 N192 M193 D194A188-T190 PolarHBondContact O-N 2.93Å; T190-N192 VanDerWaalsContact C-N 3.27Å; T190-N192 PolarHBondContact O-N 2.86Å; T190-M193 PolarHBondContact O-N 2.81Å; T190-M193 VanDerWaalsContact O-N 3.08Å; T190-D194 PolarHBondContact O-N 3.31Å
191R60.1Low77Confident190 Ų19072.7 Ų72.772%0.71737%0.369SS*.Hα-helixtrans-63.1-35.2-180-170174.2178.1174.51.3112.3D195R191-D195 PolarHBondContact O-N 2.97Å
192N68.4Low77.2Confident51 Ų5176.4 Ų76.427%0.27339%0.385SS..Hα-helixtrans-70.6-32.8175.8-66.4-13.8000111.9P184 N186 A188 T190 C196P184-N192 HydrophobicContact CG-CB 4.34Å; N186-N192 PolarHBondContact O-ND2 2.89Å; A188-N192 WeakPolarHBondContact O-CB 3.12Å; A188-N192 PolarHBondContact O-N 2.82Å; A188-N192 PolarHBondContact O-ND2 2.55Å; A188-N192 VanDerWaalsContact O-ND2 3.13Å; T190-N192 VanDerWaalsContact C-N 3.27Å; T190-N192 PolarHBondContact O-N 2.86Å; N192-C196 VanDerWaalsContact O-CB 3.24Å; N192-C196 WeakPolarHBondContact O-CB 3.34Å; N192-C196 PolarHBondContact O-N 3.17Å; N192-C196 PolarHBondContact O-SG 3.17Å
193M78.8Confident77.5Confident30 Ų3076.2 Ų76.215%0.14838%0.383CS..Hα-helixtrans-68.7-46.4179.4-178.7-179.967.700112L183 F189 T190 D195 C196 L197 V262 L304L183-M193 HydrophobicContact CD2-CB 4.39Å; L183-M193 HydrophobicContact CD2-CG 4.28Å; F189-M193 VanDerWaalsContact O-CB 3.3Å; F189-M193 WeakPolarHBondContact O-CB 3.47Å; F189-M193 PolarHBondContact O-N 2.84Å; T190-M193 PolarHBondContact O-N 2.81Å; T190-M193 VanDerWaalsContact O-N 3.08Å; M193-D195 VanDerWaalsContact C-N 3.31Å; M193-D195 PolarHBondContact O-N 3.44Å; M193-C196 PolarHBondContact O-N 2.88Å; M193-L197 HydrophobicContact CG-CD1 3.87Å; M193-L197 HydrophobicContact CG-CG 4.38Å; M193-L197 WeakPolarHBondContact O-CB 3.41Å; M193-L197 WeakPolarHBondContact O-CG 3.33Å; M193-L197 PolarHBondContact O-N 3.46Å; M193-V262 HydrophobicContact CG-CG2 4.26Å; M193-V262 HydrophobicContact SD-CG2 4.13Å; M193-L304 HydrophobicContact CE-CD2 3.79Å
194D82.8Confident78Confident51 Ų5175.9 Ų75.927%0.27338%0.38SS..Hα-helixtrans-58-46.4177.4-69.3-3.6000111.2T190 L197 K198T190-D194 PolarHBondContact O-N 3.31Å; D194-L197 PolarHBondContact O-N 3.21Å; D194-K198 WeakPolarHBondContact O-CB 3.36Å; D194-K198 WeakPolarHBondContact O-CD 3.43Å; D194-K198 WeakPolarHBondContact O-CG 3.38Å; D194-K198 PolarHBondContact O-N 3.05Å
195D84.8Confident78.7Confident80 Ų8073.7 Ų73.743%0.42837%0.367SS..Hα-helixtrans-66.1-43.2179.8-70.1-21.1000110.6R191 M193 K198 E199R191-D195 PolarHBondContact O-N 2.97Å; M193-D195 VanDerWaalsContact C-N 3.31Å; M193-D195 PolarHBondContact O-N 3.44Å; D195-K198 PolarHBondContact O-N 3.4Å; D195-E199 WeakPolarHBondContact O-CG 3.3Å; D195-E199 PolarHBondContact O-N 3.48Å
196C86.3Confident79.6Confident36 Ų3672.8 Ų72.824%0.24336%0.362CS..Hα-helixtrans-61.1-46.5175.1-76.60000112.7V181 L183 N192 M193 E199 E200V181-C196 HydrophobicContact CG1-CB 4.02Å; L183-C196 HydrophobicContact CD2-CB 4.22Å; N192-C196 VanDerWaalsContact O-CB 3.24Å; N192-C196 WeakPolarHBondContact O-CB 3.34Å; N192-C196 PolarHBondContact O-N 3.17Å; N192-C196 PolarHBondContact O-SG 3.17Å; M193-C196 PolarHBondContact O-N 2.88Å; C196-E199 PolarHBondContact O-N 3.37Å; C196-E200 WeakPolarHBondContact O-CB 3.21Å; C196-E200 PolarHBondContact O-N 3.3Å
197L88.9Confident80.8Confident8 Ų868.9 Ų68.94%0.04234%0.34CS..Hα-helixtrans-63.4-42.2177.6-77.3169000111.3V181 M193 D194 E200 L201 V262 V264 V300 L304V181-L197 HydrophobicContact CB-CD2 4.16Å; V181-L197 HydrophobicContact CG1-CD2 4.31Å; V181-L197 HydrophobicContact CG2-CD2 3.58Å; M193-L197 HydrophobicContact CG-CD1 3.87Å; M193-L197 HydrophobicContact CG-CG 4.38Å; M193-L197 WeakPolarHBondContact O-CB 3.41Å; M193-L197 WeakPolarHBondContact O-CG 3.33Å; M193-L197 PolarHBondContact O-N 3.46Å; D194-L197 PolarHBondContact O-N 3.21Å; L197-E200 PolarHBondContact O-N 3.01Å; L197-L201 VanDerWaalsContact O-CB 3.28Å; L197-L201 WeakPolarHBondContact O-CB 3.23Å; L197-L201 WeakPolarHBondContact O-CG 3.13Å; L197-L201 PolarHBondContact O-N 2.96Å; L197-V262 HydrophobicContact CD2-CB 4.36Å; L197-V262 HydrophobicContact CD2-CG1 4.05Å; L197-V264 HydrophobicContact CD2-CG2 4.43Å; L197-V300 HydrophobicContact CD1-CG1 4.33Å; L197-L304 HydrophobicContact CD1-CD1 4.01Å; L197-L304 HydrophobicContact CD1-CD2 4.05Å
198K89.4Confident82.8Confident99 Ų9960.1 Ų60.143%0.4330%0.297SS..Hα-helixtrans-61.4-44.8176.6-77.6169.7-175.2169.10111.8D194 D195 K202D194-K198 WeakPolarHBondContact O-CB 3.36Å; D194-K198 WeakPolarHBondContact O-CD 3.43Å; D194-K198 WeakPolarHBondContact O-CG 3.38Å; D194-K198 PolarHBondContact O-N 3.05Å; D195-K198 PolarHBondContact O-N 3.4Å; K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.37Å; K198-K202 PolarHBondContact O-N 2.66Å
199E88.6Confident84.4Confident107 Ų10762.6 Ų62.650%0.530%0.299SS..Hα-helixtrans-66-43177.6-68.3-50.913200111.9D195 C196 L201 K202 V203D195-E199 WeakPolarHBondContact O-CG 3.3Å; D195-E199 PolarHBondContact O-N 3.48Å; C196-E199 PolarHBondContact O-N 3.37Å; E199-L201 PolarHBondContact O-N 3.49Å; E199-K202 WeakPolarHBondContact O-CB 3.18Å; E199-K202 PolarHBondContact O-N 2.86Å; E199-K202 VanDerWaalsContact O-N 3.16Å; E199-K202 IonicContact OE1-NZ 3.54Å; E199-K202 PolarHBondContact OE1-NZ 3.18Å; E199-K202 IonicContact OE2-NZ 3.75Å; E199-V203 PolarHBondContact O-N 3.47Å; E199-V203 VanDerWaalsContact O-N 3.08Å
200E90.1Very high86.1Confident52 Ų5263.6 Ų63.624%0.24330%0.299CS..Hα-helixtrans-65.5-40.5177.6-170.657.5-147.800112V181 C196 L197 K202 V203 W204V181-E200 HydrophobicContact CB-CB 4.4Å; V181-E200 HydrophobicContact CB-CG 4.34Å; V181-E200 HydrophobicContact CG1-CB 3.97Å; V181-E200 HydrophobicContact CG1-CG 4.4Å; V181-E200 HydrophobicContact CG2-CB 3.8Å; V181-E200 HydrophobicContact CG2-CG 3.59Å; C196-E200 WeakPolarHBondContact O-CB 3.21Å; C196-E200 PolarHBondContact O-N 3.3Å; L197-E200 PolarHBondContact O-N 3.01Å; E200-K202 VanDerWaalsContact C-N 3.26Å; E200-K202 PolarHBondContact O-N 3.49Å; E200-V203 PolarHBondContact O-N 3.45Å; E200-V203 VanDerWaalsContact O-N 3.15Å; E200-W204 WeakPolarHBondContact O-CB 2.69Å; E200-W204 PolarHBondContact O-N 3.4Å
201L93.2Very high87.7Confident11 Ų1160.2 Ų60.26%0.05828%0.279CS..Hα-helixtrans-62.8-32.1174.2-74.7171.4000112.2L116 L179 L197 E199 W204 A205 V296 V300L116-L201 HydrophobicContact CD1-CB 3.63Å; L179-L201 HydrophobicContact CD1-CD2 3.78Å; L197-L201 VanDerWaalsContact O-CB 3.28Å; L197-L201 WeakPolarHBondContact O-CB 3.23Å; L197-L201 WeakPolarHBondContact O-CG 3.13Å; L197-L201 PolarHBondContact O-N 2.96Å; E199-L201 PolarHBondContact O-N 3.49Å; L201-W204 HydrophobicContact CD2-CE3 4.34Å; L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.07Å; L201-A205 PolarHBondContact O-N 2.91Å; L201-V296 HydrophobicContact CD2-CG1 3.94Å; L201-V300 HydrophobicContact CD1-CB 4.16Å; L201-V300 HydrophobicContact CD1-CG1 4.03Å; L201-V300 HydrophobicContact CD1-CG2 4.4Å
202K92.6Very high89.4Confident83 Ų8353.6 Ų53.636%0.36126%0.26SS..Hα-helixtrans-67-43.3172.2-71.9169.5-171.4170.60111.6L116 K198 E199 E200 A205 Q206L116-K202 HydrophobicContact CD2-CG 4Å; K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.37Å; K198-K202 PolarHBondContact O-N 2.66Å; E199-K202 WeakPolarHBondContact O-CB 3.18Å; E199-K202 PolarHBondContact O-N 2.86Å; E199-K202 VanDerWaalsContact O-N 3.16Å; E199-K202 IonicContact OE1-NZ 3.54Å; E199-K202 PolarHBondContact OE1-NZ 3.18Å; E199-K202 IonicContact OE2-NZ 3.75Å; E200-K202 VanDerWaalsContact C-N 3.26Å; E200-K202 PolarHBondContact O-N 3.49Å; K202-A205 PolarHBondContact O-N 2.86Å; K202-Q206 WeakPolarHBondContact O-CG 3.5Å; K202-Q206 PolarHBondContact O-N 3.39Å; K202-Q206 VanDerWaalsContact O-N 3.1Å
203V91.4Very high90.7Very high60 Ų6051.5 Ų51.536%0.36425%0.249SC..Hα-helixtrans-61.2-48.2176174.70000109.9E199 E200 A205 Q206 Q207E199-V203 PolarHBondContact O-N 3.47Å; E199-V203 VanDerWaalsContact O-N 3.08Å; E200-V203 PolarHBondContact O-N 3.45Å; E200-V203 VanDerWaalsContact O-N 3.15Å; V203-A205 PolarHBondContact O-N 3.45Å; V203-Q206 WeakPolarHBondContact O-CB 3.25Å; V203-Q206 PolarHBondContact O-N 3.22Å; V203-Q206 VanDerWaalsContact O-N 3.17Å; V203-Q207 PolarHBondContact O-N 2.93Å; V203-Q207 VanDerWaalsContact O-N 3.09Å
204W93.2Very high91.5Very high9 Ų951.5 Ų51.53%0.03425%0.249CC..Hα-helixtrans-60.6-42.4176176.970.8000112.5L175 V177 L179 E200 L201 Q206 Q207 I208 I292 V293 V296L175-W204 HydrophobicContact CD2-CZ2 4.14Å; V177-W204 HydrophobicContact CG2-CZ2 4.39Å; L179-W204 HydrophobicContact CD1-CD2 4.28Å; L179-W204 HydrophobicContact CD1-CG 4.2Å; L179-W204 HydrophobicContact CD2-CB 3.92Å; L179-W204 HydrophobicContact CD2-CD2 4.22Å; L179-W204 HydrophobicContact CD2-CG 3.52Å; L179-W204 HydrophobicContact CG-CG 4.5Å; E200-W204 WeakPolarHBondContact O-CB 2.69Å; E200-W204 PolarHBondContact O-N 3.4Å; L201-W204 HydrophobicContact CD2-CE3 4.34Å; W204-Q206 VanDerWaalsContact C-N 3.26Å; W204-Q206 PolarHBondContact O-N 2.95Å; W204-Q207 WeakPolarHBondContact O-CA 3.35Å; W204-Q207 WeakPolarHBondContact O-CB 3.21Å; W204-Q207 PolarHBondContact O-N 3.23Å; W204-I208 HydrophobicContact CD2-CG1 3.92Å; W204-I208 HydrophobicContact CE3-CG1 4.28Å; W204-I208 HydrophobicContact CH2-CD1 4.34Å; W204-I208 HydrophobicContact CH2-CG1 3.97Å; W204-I208 HydrophobicContact CZ2-CD1 3.58Å; W204-I208 HydrophobicContact CZ2-CG1 3.58Å; W204-I208 HydrophobicContact CZ3-CG1 4.31Å; W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 3.47Å; W204-I292 HydrophobicContact CH2-CG2 3.77Å; W204-I292 HydrophobicContact CZ2-CG2 4.09Å; W204-V293 HydrophobicContact CZ3-CG2 4.31Å; W204-V296 HydrophobicContact CH2-CB 3.67Å; W204-V296 HydrophobicContact CH2-CG1 4.2Å; W204-V296 HydrophobicContact CH2-CG2 3.37Å; W204-V296 HydrophobicContact CZ2-CG2 4.1Å; W204-V296 HydrophobicContact CZ3-CB 3.68Å; W204-V296 HydrophobicContact CZ3-CG1 4.06Å; W204-V296 HydrophobicContact CZ3-CG2 3.96Å
205A94.7Very high92Very high3 Ų349.4 Ų49.43%0.02524%0.238CC..Hα-helixtrans-58.3-38.5175.800000112.3L116 L201 K202 V203 Q207 I208 E209 V293L116-A205 HydrophobicContact CB-CB 3.88Å; L116-A205 WeakPolarHBondContact O-CB 3.34Å; L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.07Å; L201-A205 PolarHBondContact O-N 2.91Å; K202-A205 PolarHBondContact O-N 2.86Å; V203-A205 PolarHBondContact O-N 3.45Å; A205-Q207 VanDerWaalsContact C-N 3.35Å; A205-I208 PolarHBondContact O-N 3.39Å; A205-E209 WeakPolarHBondContact O-CB 3.16Å; A205-E209 PolarHBondContact O-N 2.91Å; A205-V293 HydrophobicContact CB-CG1 3.66Å; A205-V293 HydrophobicContact CB-CG2 3.94Å
206Q92.8Very high92.2Very high91 Ų9150.9 Ų50.943%0.42525%0.246SC..Hα-helixtrans-66.1-35.8173.4-66.7174.912.600112.3K202 V203 W204 E209 R210K202-Q206 WeakPolarHBondContact O-CG 3.5Å; K202-Q206 PolarHBondContact O-N 3.39Å; K202-Q206 VanDerWaalsContact O-N 3.1Å; V203-Q206 WeakPolarHBondContact O-CB 3.25Å; V203-Q206 PolarHBondContact O-N 3.22Å; V203-Q206 VanDerWaalsContact O-N 3.17Å; W204-Q206 VanDerWaalsContact C-N 3.26Å; W204-Q206 PolarHBondContact O-N 2.95Å; Q206-E209 PolarHBondContact O-N 2.9Å; Q206-R210 VanDerWaalsContact O-CG 3.3Å; Q206-R210 WeakPolarHBondContact O-CG 3.47Å; Q206-R210 PolarHBondContact O-N 2.85Å
207Q92.6Very high92.3Very high42 Ų4251.3 Ų51.320%0.19626%0.257CS..Hα-helixtrans-65.3-42.9173.8-65.2173.1-12.100111.4V203 W204 A205 E209 R210 G211 I244V203-Q207 PolarHBondContact O-N 2.93Å; V203-Q207 VanDerWaalsContact O-N 3.09Å; W204-Q207 WeakPolarHBondContact O-CA 3.35Å; W204-Q207 WeakPolarHBondContact O-CB 3.21Å; W204-Q207 PolarHBondContact O-N 3.23Å; A205-Q207 VanDerWaalsContact C-N 3.35Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 3.35Å; Q207-R210 PolarHBondContact O-N 3.26Å; Q207-G211 PolarHBondContact O-N 2.65Å; Q207-I244 HydrophobicContact CB-CG2 4.2Å
208I95Very high92.5Very high0 Ų057.9 Ų57.90%029%0.285CS..Hα-helixtrans-60-44.1173.6-63.1-57.7000111L175 W204 A205 R210 G211 L242 I244 K289 I292 V293L175-I208 HydrophobicContact CD2-CD1 3.76Å; W204-I208 HydrophobicContact CD2-CG1 3.92Å; W204-I208 HydrophobicContact CE3-CG1 4.28Å; W204-I208 HydrophobicContact CH2-CD1 4.34Å; W204-I208 HydrophobicContact CH2-CG1 3.97Å; W204-I208 HydrophobicContact CZ2-CD1 3.58Å; W204-I208 HydrophobicContact CZ2-CG1 3.58Å; W204-I208 HydrophobicContact CZ3-CG1 4.31Å; W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 3.47Å; A205-I208 PolarHBondContact O-N 3.39Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.35Å; I208-G211 PolarHBondContact O-N 3.19Å; I208-L242 HydrophobicContact CD1-CD2 3.86Å; I208-L242 HydrophobicContact CG2-CD2 3.86Å; I208-I244 HydrophobicContact CD1-CD1 3.26Å; I208-I244 HydrophobicContact CD1-CG1 3.94Å; I208-K289 HydrophobicContact CG2-CB 4.08Å; I208-K289 HydrophobicContact CG2-CG 4.12Å; I208-K289 WeakPolarHBondContact O-CD 3.06Å; I208-K289 WeakPolarHBondContact O-CE 3.44Å; I208-I292 HydrophobicContact CD1-CG2 4.08Å; I208-I292 HydrophobicContact CG1-CG2 4.22Å; I208-I292 HydrophobicContact CG2-CB 4.36Å; I208-I292 HydrophobicContact CG2-CG2 3.94Å; I208-V293 HydrophobicContact CB-CG2 3.89Å; I208-V293 HydrophobicContact CG1-CG2 4.22Å; I208-V293 HydrophobicContact CG2-CG2 3.75Å
209E93.1Very high92.7Very high107 Ų10760.5 Ų60.550%0.530%0.296SS..Hα-helixtrans-60.9-39.5177.9-172.5170.9-158.300112.2A205 Q206 Q207 K289A205-E209 WeakPolarHBondContact O-CB 3.16Å; A205-E209 PolarHBondContact O-N 2.91Å; Q206-E209 PolarHBondContact O-N 2.9Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 3.35Å; E209-K289 PolarHBondContact O-NZ 2.86Å
210R92.4Very high93Very high152 Ų15258.1 Ų58.157%0.57429%0.287SS*.Hα-helixtrans-79.1-18.7177.6-67.1172.6-169.2167.68.6114.2Q206 Q207 I208Q206-R210 VanDerWaalsContact O-CG 3.3Å; Q206-R210 WeakPolarHBondContact O-CG 3.47Å; Q206-R210 PolarHBondContact O-N 2.85Å; Q207-R210 PolarHBondContact O-N 3.26Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.35Å
211G93.4Very high93.1Very high3 Ų359.8 Ų59.83%0.03130%0.302CS..SBendtrans-56.6151.9-177.600000113.2Q207 I208 L243 K289Q207-G211 PolarHBondContact O-N 2.65Å; I208-G211 PolarHBondContact O-N 3.19Å; G211-L243 CarbonylContact C-O 3.58Å; G211-L243 VanDerWaalsContact CA-O 3.31Å; G211-L243 WeakPolarHBondContact CA-O 3.18Å; G211-K289 VanDerWaalsContact O-CE 3.31Å; G211-K289 WeakPolarHBondContact O-CE 3.42Å; G211-K289 PolarHBondContact O-NZ 3.45Å
212V94.8Very high93Very high51 Ų5164.4 Ų64.431%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-89117.3-179.8178.90000109.8L214 K219 L243V212-L214 HydrophobicContact CG1-CD2 4.14Å; V212-K219 HydrophobicContact CG1-CD 3.95Å; V212-K219 HydrophobicContact CG1-CG 4.39Å; V212-L243 HydrophobicContact CB-CB 4.36Å; V212-L243 PolarHBondContact N-O 2.88Å; V212-L243 PolarHBondContact O-N 3.26Å
213C95.6Very high92.8Very high6 Ų665.8 Ų65.84%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-86.1126.2174.9-1700000111.2L242 E285C213-L242 HydrophobicContact CB-CD1 4.48Å; C213-E285 HydrophobicContact CB-CB 4.08Å; C213-E285 HydrophobicContact CB-CG 3.57Å
214L95.3Very high92.9Very high30 Ų3064.5 Ų64.516%0.15733%0.329CS..EExtended strand (participates in β ladder)trans-107.7124.8171-54.1-177.8000108.8V212 K218 K219 A240 Q241 L243V212-L214 HydrophobicContact CG1-CD2 4.14Å; L214-K218 CarbonylContact C-O 3.56Å; L214-K218 WeakPolarHBondContact CA-O 3.32Å; L214-K219 HydrophobicContact CD2-CB 3.81Å; L214-A240 CarbonylContact O-C 3.5Å; L214-A240 VanDerWaalsContact O-CA 3.23Å; L214-A240 WeakPolarHBondContact O-CA 3.31Å; L214-Q241 HydrophobicContact CB-CB 4.32Å; L214-Q241 PolarHBondContact N-O 2.91Å; L214-Q241 PolarHBondContact O-N 3.45Å; L214-L243 HydrophobicContact CD1-CD1 3.73Å; L214-L243 HydrophobicContact CD1-CG 4.18Å; L214-L243 HydrophobicContact CG-CD1 4.21Å; L214-L243 HydrophobicContact CG-CG 4.43Å
215I93.1Very high92.7Very high7 Ų768.9 Ų68.94%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-107.1124.2177.2-59.9177.7000107.8G217 K218 L220 L226 I238 A281 A284I215-G217 PolarHBondContact O-N 3.09Å; I215-K218 PolarHBondContact N-O 2.99Å; I215-K218 PolarHBondContact O-N 2.91Å; I215-L220 HydrophobicContact CB-CD1 3.89Å; I215-L220 HydrophobicContact CB-CG 4.33Å; I215-L220 HydrophobicContact CD1-CD1 4.32Å; I215-L220 HydrophobicContact CG2-CD1 4.11Å; I215-L226 HydrophobicContact CD1-CD1 4.45Å; I215-L226 HydrophobicContact CD1-CD2 3.75Å; I215-L226 HydrophobicContact CG2-CD2 4.04Å; I215-I238 HydrophobicContact CG2-CG2 3.39Å; I215-A281 HydrophobicContact CD1-CB 4.18Å; I215-A284 HydrophobicContact CD1-CB 4.18Å
216D88.9Confident92.3Very high111 Ų11169.2 Ų69.259%0.59435%0.351SS*.THydrogen-bonded Turntrans4941.3-169.8-60.1-38.6000112.2K218 S239D216-K218 VanDerWaalsContact C-N 3.31Å; D216-K218 PolarHBondContact O-N 3.36Å; D216-S239 PolarHBondContact N-O 3.15Å
217G90Very high91.2Very high46 Ų4674.6 Ų74.647%0.47437%0.373SS..THydrogen-bonded Turntrans74.89.9179.800000115.5I215I215-G217 PolarHBondContact O-N 3.09Å
218K92.6Very high89.3Confident146 Ų14674.2 Ų74.264%0.63538%0.376SS*.BIsolated β-bridgetrans-127.1140-178.1-64.2177.5-175.4172.70112.2L214 I215 D216 L220L214-K218 CarbonylContact C-O 3.56Å; L214-K218 WeakPolarHBondContact CA-O 3.32Å; I215-K218 PolarHBondContact N-O 2.99Å; I215-K218 PolarHBondContact O-N 2.91Å; D216-K218 VanDerWaalsContact C-N 3.31Å; D216-K218 PolarHBondContact O-N 3.36Å; K218-L220 HydrophobicContact CB-CD2 4.32Å; K218-L220 PolarHBondContact O-N 3.32Å
219K93.8Very high87.2Confident154 Ų15476.7 Ų76.767%0.6740%0.402SS*.  trans-74.2108.9166.7-172.3176.4-177.2174.60108.5V212 L214V212-K219 HydrophobicContact CG1-CD 3.95Å; V212-K219 HydrophobicContact CG1-CG 4.39Å; L214-K219 HydrophobicContact CD2-CB 3.81Å
220L93.4Very high84.9Confident56 Ų5681.2 Ų81.229%0.29342%0.423SS..  trans-88.1143.5177.9-61.1-178.3000110.3I215 K218 L226 A281I215-L220 HydrophobicContact CB-CD1 3.89Å; I215-L220 HydrophobicContact CB-CG 4.33Å; I215-L220 HydrophobicContact CD1-CD1 4.32Å; I215-L220 HydrophobicContact CG2-CD1 4.11Å; K218-L220 HydrophobicContact CB-CD2 4.32Å; K218-L220 PolarHBondContact O-N 3.32Å; L220-L226 HydrophobicContact CD1-CD2 3.56Å; L220-A281 HydrophobicContact CB-CB 3.86Å; L220-A281 HydrophobicContact CD1-CB 4.34Å
221P93.1Very high82.8Confident88 Ų8881.7 Ų81.757%0.57143%0.429SS*.  trans-58.3144.8167.2-20.327.7000111.5D223 S224P221-D223 VanDerWaalsContact C-N 3.28Å; P221-D223 PolarHBondContact O-N 3.22Å; P221-D223 VanDerWaalsContact O-N 3.13Å; P221-S224 WeakPolarHBondContact CB-OG 3.33Å; P221-S224 WeakPolarHBondContact CD-OG 3.33Å; P221-S224 WeakPolarHBondContact CG-OG 3.08Å; P221-S224 WeakPolarHBondContact O-CB 3.41Å; P221-S224 PolarHBondContact O-N 3.45Å; P221-S224 PolarHBondContact O-OG 3.1Å
222E90.4Very high80.6Confident107 Ų10791 Ų9150%0.547%0.469SS..THydrogen-bonded Turntrans-50.1-42.5-173.7-73-171.9-162.700114.4S224 K282E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 3.37Å; E222-K282 HydrophobicContact CB-CB 4.02Å; E222-K282 HydrophobicContact CB-CD 4.33Å; E222-K282 HydrophobicContact CG-CB 4.41Å; E222-K282 WeakPolarHBondContact O-CB 3.26Å; E222-K282 PolarHBondContact O-N 2.92Å; E222-K282 WeakPolarHBondContact OE2-CD 3.18Å; E222-K282 WeakPolarHBondContact OE2-CE 3.38Å; E222-K282 IonicContact OE2-NZ 3.73Å; E222-K282 PolarHBondContact OE2-NZ 3.39Å
223D90.1Very high78.2Confident112 Ų11296.2 Ų96.260%0.59950%0.495SS*.THydrogen-bonded Turntrans-84.1-0.4-177.6-76.1-53.9000114.7P221 E225 K280P221-D223 VanDerWaalsContact C-N 3.28Å; P221-D223 PolarHBondContact O-N 3.22Å; P221-D223 VanDerWaalsContact O-N 3.13Å; D223-E225 PolarHBondContact O-N 3.17Å; D223-K280 IonicContact OD1-NZ 2.68Å; D223-K280 PolarHBondContact OD1-NZ 2.85Å
224S91.9Very high76.2Confident34 Ų34100.4 Ų100.424%0.23852%0.52CS..PPolyproline II helixtrans-67.6129.3-178.5-54.50000110.7P221 E222 K280 A281P221-S224 WeakPolarHBondContact CB-OG 3.33Å; P221-S224 WeakPolarHBondContact CD-OG 3.33Å; P221-S224 WeakPolarHBondContact CG-OG 3.08Å; P221-S224 WeakPolarHBondContact O-CB 3.41Å; P221-S224 PolarHBondContact O-N 3.45Å; P221-S224 PolarHBondContact O-OG 3.1Å; E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 3.37Å; S224-K280 WeakPolarHBondContact O-CA 3.45Å; S224-A281 PolarHBondContact O-N 3.09Å
225E90.3Very high74.5Confident101 Ų101105.3 Ų105.347%0.47254%0.537SS..BIsolated β-bridgetrans-68.9130.9169.7-61.9-178.5176.300109.4D223 K227 K278D223-E225 PolarHBondContact O-N 3.17Å; E225-K227 PolarHBondContact O-N 3.37Å; E225-K278 HydrophobicContact CG-CB 4.09Å; E225-K278 WeakPolarHBondContact OE1-CD 3.25Å; E225-K278 IonicContact OE1-NZ 2.76Å; E225-K278 PolarHBondContact OE1-NZ 2.81Å; E225-K278 WeakPolarHBondContact OE2-CG 3.42Å; E225-K278 IonicContact OE2-NZ 2.71Å; E225-K278 PolarHBondContact OE2-NZ 3.41Å
226L85.8Confident73.6Confident9 Ų9107.3 Ų107.35%0.04755%0.546CS..PPolyproline II helixtrans-70.4124.7171.3-58.8-176000108.4V171 I215 L220 A228 I238 L274 P279 A281 A284V171-L226 HydrophobicContact CG2-CD1 4.47Å; I215-L226 HydrophobicContact CD1-CD1 4.45Å; I215-L226 HydrophobicContact CD1-CD2 3.75Å; I215-L226 HydrophobicContact CG2-CD2 4.04Å; L220-L226 HydrophobicContact CD1-CD2 3.56Å; L226-A228 PolarHBondContact O-N 3.38Å; L226-I238 HydrophobicContact CB-CD1 4.05Å; L226-I238 HydrophobicContact CD1-CD1 3.92Å; L226-L274 HydrophobicContact CD1-CD1 3.98Å; L226-P279 HydrophobicContact CB-CG 4.2Å; L226-P279 HydrophobicContact CD1-CB 4.49Å; L226-P279 WeakPolarHBondContact CG-O 3.24Å; L226-P279 PolarHBondContact N-O 3.27Å; L226-A281 HydrophobicContact CD2-CB 4.04Å; L226-A284 HydrophobicContact CD1-CB 3.6Å
227K68.7Low73.4Confident205 Ų205106 Ų10689%0.89154%0.542SS*.  trans-74.482.6179.6-69.7-174.2-179.5-179.90109.8E225 G229E225-K227 PolarHBondContact O-N 3.37Å; K227-G229 PolarHBondContact O-N 3.42Å; K227-G229 VanDerWaalsContact O-N 3.13Å
228A54.3Low73.5Confident33 Ų33104.5 Ų104.527%0.27352%0.523SS..  trans-51.9110157.300000109L226 Q230L226-A228 PolarHBondContact O-N 3.38Å; A228-Q230 PolarHBondContact O-N 3.4Å
229G51.2Low73.5Confident52 Ų52100.6 Ų100.654%0.53651%0.514SS..  trans-51.1129.7175.700000110.3K227 K231 Q236K227-G229 PolarHBondContact O-N 3.42Å; K227-G229 VanDerWaalsContact O-N 3.13Å; G229-K231 PolarHBondContact O-N 2.69Å; G229-Q236 PolarHBondContact O-NE2 2.83Å
230Q44Very low73.6Confident202 Ų20293.5 Ų93.594%0.94448%0.484SS*.SBendtrans-5913.2-163-69.1-179-46.900118A228A228-Q230 PolarHBondContact O-N 3.4Å
231K48.5Very low73.7Confident162 Ų16295.6 Ų95.670%0.70449%0.492SS*.  trans-96.7108177.6-71.5-174.4178179.90110.9G229 N233 V234G229-K231 PolarHBondContact O-N 2.69Å; K231-N233 PolarHBondContact O-N 3.26Å; K231-V234 HydrophobicContact CB-CG2 4.25Å
232K45.8Very low73.8Confident199 Ų19992.1 Ų92.187%0.86547%0.469SS*.THydrogen-bonded Turntrans-59.94-175.1-118.8-178.7177.7-173.60117.2
233N44.8Very low74Confident161 Ų16191.5 Ų91.586%0.86147%0.469SS*.THydrogen-bonded Turntrans-143.818.8-169.1-66.6-36.4000114.2K231K231-N233 PolarHBondContact O-N 3.26Å
234V53.3Low74Confident93 Ų9388.7 Ų88.756%0.56445%0.453SS*.SBendtrans-118.6134.5179.4-178.10000108.9K231 Q236K231-V234 HydrophobicContact CB-CG2 4.25Å; V234-Q236 WeakPolarHBondContact O-CG 3.46Å; V234-Q236 PolarHBondContact O-N 3.31Å
235R60.9Low73.3Confident133 Ų13391.9 Ų91.950%0.50247%0.471SS..  trans-51.3107.8173.1-167.3175.2-172.2-179.22.7108.9T237 P338R235-T237 PolarHBondContact O-N 2.91Å; R235-P338 HydrophobicContact CG-CB 4.39Å
236Q73.8Confident72.3Confident49 Ų4992.2 Ų92.223%0.22948%0.482CS..EExtended strand (participates in β ladder)trans-89.297.5-178-75.9177.3-8.300109T170 G229 V234T170-Q236 PolarHBondContact N-O 3.39Å; G229-Q236 PolarHBondContact O-NE2 2.83Å; V234-Q236 WeakPolarHBondContact O-CG 3.46Å; V234-Q236 PolarHBondContact O-N 3.31Å
237T85.2Confident71.2Confident85 Ų8595.5 Ų95.552%0.52150%0.5SS..EExtended strand (participates in β ladder)trans-97.1124171.9-51.60000109.3T170 R235T170-T237 CarbonylContact O-C 3.57Å; T170-T237 WeakPolarHBondContact O-CA 3.39Å; R235-T237 PolarHBondContact O-N 2.91Å
238I90.9Very high70.3Confident13 Ų1391.7 Ų91.77%0.06749%0.494CS..EExtended strand (participates in β ladder)trans-108.6129.5177.7-58.2172000107.1A169 T170 V171 S172 I215 L226A169-I238 HydrophobicContact CB-CD1 4.3Å; T170-I238 PolarHBondContact O-N 3.26Å; V171-I238 WeakPolarHBondContact CA-O 3.43Å; V171-I238 HydrophobicContact CG2-CB 4.21Å; V171-I238 HydrophobicContact CG2-CD1 4.39Å; S172-I238 PolarHBondContact N-O 2.99Å; I215-I238 HydrophobicContact CG2-CG2 3.39Å; L226-I238 HydrophobicContact CB-CD1 4.05Å; L226-I238 HydrophobicContact CD1-CD1 3.92Å
239S92.9Very high70.1Confident65 Ų6596 Ų9646%0.45551%0.508SS..EExtended strand (participates in β ladder)trans-88.3130.3178.8-175.80000110D216D216-S239 PolarHBondContact N-O 3.15Å
240A95.4Very high69.8Low4 Ų4100.6 Ų100.63%0.03353%0.526CS..EExtended strand (participates in β ladder)trans-118.2152.717300000110.9V171 S172 C173 L214 L288V171-A240 HydrophobicContact CG1-CB 3.68Å; S172-A240 PolarHBondContact O-N 2.99Å; C173-A240 HydrophobicContact CB-CB 4.34Å; L214-A240 CarbonylContact O-C 3.5Å; L214-A240 VanDerWaalsContact O-CA 3.23Å; L214-A240 WeakPolarHBondContact O-CA 3.31Å; A240-L288 HydrophobicContact CB-CD2 3.5Å; A240-L288 VanDerWaalsContact CB-CD2 3.5Å
241Q95.9Very high70Confident100 Ų10094 Ų9447%0.46751%0.506SS..EExtended strand (participates in β ladder)trans-128.6131.8172.5-62.1171.70.400107.9L214L214-Q241 HydrophobicContact CB-CB 4.32Å; L214-Q241 PolarHBondContact N-O 2.91Å; L214-Q241 PolarHBondContact O-N 3.45Å
242L95.8Very high69.9Low16 Ų1690.5 Ų90.58%0.08451%0.507CS..EExtended strand (participates in β ladder)trans-104.1118.1174.9-175.267.9000109.5I208 C213 I244 K289 I292I208-L242 HydrophobicContact CD1-CD2 3.86Å; I208-L242 HydrophobicContact CG2-CD2 3.86Å; C213-L242 HydrophobicContact CB-CD1 4.48Å; L242-I244 HydrophobicContact CD2-CD1 4.38Å; L242-I244 HydrophobicContact CD2-CG1 4.06Å; L242-I244 HydrophobicContact CG-CG1 4.11Å; L242-K289 HydrophobicContact CD1-CG 4.41Å; L242-I292 HydrophobicContact CD2-CD1 3.8Å
243L93.6Very high70.4Confident93 Ų9387.6 Ų87.649%0.48750%0.501SS..EExtended strand (participates in β ladder)trans-95.2109.9173.3-57.1-177.6000108.9G211 V212 L214G211-L243 CarbonylContact C-O 3.58Å; G211-L243 VanDerWaalsContact CA-O 3.31Å; G211-L243 WeakPolarHBondContact CA-O 3.18Å; V212-L243 HydrophobicContact CB-CB 4.36Å; V212-L243 PolarHBondContact N-O 2.88Å; V212-L243 PolarHBondContact O-N 3.26Å; L214-L243 HydrophobicContact CD1-CD1 3.73Å; L214-L243 HydrophobicContact CD1-CG 4.18Å; L214-L243 HydrophobicContact CG-CD1 4.21Å; L214-L243 HydrophobicContact CG-CG 4.43Å
244I90.6Very high71.2Confident53 Ų5385.7 Ų85.727%0.27250%0.495SS..PPolyproline II helixtrans-95.1118.3176.3-52.6165.2000106.9L175 Q207 I208 L242L175-I244 HydrophobicContact CD1-CD1 3.68Å; L175-I244 HydrophobicContact CD1-CG1 4.46Å; L175-I244 HydrophobicContact CD2-CD1 3.97Å; L175-I244 HydrophobicContact CG-CD1 4.36Å; Q207-I244 HydrophobicContact CB-CG2 4.2Å; I208-I244 HydrophobicContact CD1-CD1 3.26Å; I208-I244 HydrophobicContact CD1-CG1 3.94Å; L242-I244 HydrophobicContact CD2-CD1 4.38Å; L242-I244 HydrophobicContact CD2-CG1 4.06Å; L242-I244 HydrophobicContact CG-CG1 4.11Å
245T78.3Confident72.1Confident101 Ų10188.1 Ų88.162%0.6251%0.51SS*.PPolyproline II helixtrans-76.6125166.345.50000107.6D247T245-D247 PolarHBondContact O-N 3.39Å
246P68.6Low72.5Confident109 Ų10988.1 Ų88.171%0.70852%0.515SS*.PPolyproline II helixtrans-55130.9167.723.7-30.6000107.2V248P246-V248 PolarHBondContact O-N 3.36Å
247D62.2Low72.5Confident77 Ų7794.9 Ų94.941%0.41254%0.539SS..  trans-58.8112.7-178-153.711.3000107.4T245 Q249T245-D247 PolarHBondContact O-N 3.39Å; D247-Q249 PolarHBondContact O-N 3.48Å
248V50.3Low72Confident126 Ų12693.6 Ų93.676%0.76453%0.533SS*.  trans-72.390.8169.8179.50000104.2P246 T250P246-V248 PolarHBondContact O-N 3.36Å; V248-T250 PolarHBondContact O-N 2.84Å
249Q51.1Low71.5Confident122 Ų12295.6 Ų95.657%0.5756%0.557SS**  trans-46.5119.7-176.5-68.7-174.12700109.5D247D247-Q249 PolarHBondContact O-N 3.48Å
250T44.7Very low70.9Confident149 Ų14994 Ų9491%0.91455%0.551SS**SBendtrans-88.27.3170.5-17.20000111.4V248V248-T250 PolarHBondContact O-N 2.84Å
251A48.5Very low70.4Confident65 Ų6597.6 Ų97.654%0.53758%0.575SS.*SBendtrans-102.5134.7166.800000108D253A251-D253 PolarHBondContact O-N 2.75Å
252A46Very low70Confident87 Ų8794.6 Ų94.672%0.71956%0.563SS**  trans-50.9129.5175.100000109.5V254A252-V254 VanDerWaalsContact O-CG2 3.23Å; A252-V254 WeakPolarHBondContact O-CG2 3.31Å; A252-V254 PolarHBondContact O-N 3.19Å
253D55.9Low69.7Low138 Ų13896.2 Ų96.274%0.73858%0.576SS**  trans-48.998177.5-64.7-47.8000110.1A251 V255A251-D253 PolarHBondContact O-N 2.75Å; D253-V255 PolarHBondContact O-N 3.09Å
254V62.3Low69.6Low121 Ų12192.6 Ų92.673%0.73356%0.557SS**  trans-86.2108.3178.5-177.70000106.9A252 Q256A252-V254 VanDerWaalsContact O-CG2 3.23Å; A252-V254 WeakPolarHBondContact O-CG2 3.31Å; A252-V254 PolarHBondContact O-N 3.19Å; V254-Q256 PolarHBondContact O-N 2.69Å
255V70.4Confident69.7Low145 Ų14598 Ų9888%0.87957%0.574SS**  trans-65.3107.5170.4-179.70000108.3D253D253-V255 PolarHBondContact O-N 3.09Å
256Q69.4Low70.3Confident132 Ų13295.2 Ų95.262%0.61757%0.566SS**  trans-100.6131.9176.5-175.1172.3-30.600110.4V254 C258V254-Q256 PolarHBondContact O-N 2.69Å; Q256-C258 PolarHBondContact O-N 3.35Å; Q256-C258 PolarHBondContact O-SG 3.36Å
257R73.7Confident71.5Confident191 Ų19193.1 Ų93.172%0.72156%0.558SS**  trans-71.2121.9171.7-172.9172.6169.6151.70.4109.1E185E185-R257 VanDerWaalsContact CD-NE 3.33Å; E185-R257 IonicContact OE1-CZ 2.73Å; E185-R257 IonicContact OE1-NE 2.91Å; E185-R257 PolarHBondContact OE1-NE 3.18Å; E185-R257 IonicContact OE1-NH2 3.78Å; E185-R257 PolarHBondContact OE1-NH2 3.32Å; E185-R257 VanDerWaalsContact OE2-CD 3.3Å; E185-R257 WeakPolarHBondContact OE2-CD 3.39Å; E185-R257 IonicContact OE2-CZ 3.35Å; E185-R257 IonicContact OE2-NE 3.94Å; E185-R257 PolarHBondContact OE2-NE 2.96Å
258C76.4Confident73.1Confident58 Ų5890 Ų9039%0.39254%0.541SS..  trans-115.4144.2-175.7-57.40000110.4P182 L183 Q256P182-C258 HydrophobicContact CB-CB 4.47Å; P182-C258 VanDerWaalsContact CB-SG 3.55Å; L183-C258 CarbonylContact O-C 3.5Å; L183-C258 WeakPolarHBondContact O-CA 3.37Å; Q256-C258 PolarHBondContact O-N 3.35Å; Q256-C258 PolarHBondContact O-SG 3.36Å
259G78.8Confident75.2Confident55 Ų5585.2 Ų85.257%0.56751%0.51SS*.SBendtrans-82.8-15.9173.500000113.6L183L183-G259 PolarHBondContact O-N 2.85Å
260G82Confident77.4Confident33 Ų3379.4 Ų79.434%0.3448%0.483SS..EExtended strand (participates in β ladder)trans174.9-171.3179.600000110.6L183L183-G260 PolarHBondContact N-O 2.68Å
261C84.6Confident79.8Confident79 Ų7973 Ų7353%0.53444%0.443SS..EExtended strand (participates in β ladder)trans-147.1150.2171.861.20000110.8M180 V181M180-C261 HydrophobicContact CE-CB 4.11Å; V181-C261 CarbonylContact O-C 3.58Å; V181-C261 WeakPolarHBondContact O-CA 3.37Å
262V87.6Confident82Confident36 Ų3670 Ų7022%0.21842%0.417CS..EExtended strand (participates in β ladder)trans-105.7140167.7-179.30000108.1V181 L183 M193 L197V181-V262 HydrophobicContact CB-CB 4.35Å; V181-V262 PolarHBondContact N-O 2.9Å; V181-V262 PolarHBondContact O-N 3.11Å; L183-V262 HydrophobicContact CD1-CG2 3.82Å; L183-V262 HydrophobicContact CD2-CG2 4.07Å; L183-V262 HydrophobicContact CG-CG2 4.09Å; M193-V262 HydrophobicContact CG-CG2 4.26Å; M193-V262 HydrophobicContact SD-CG2 4.13Å; L197-V262 HydrophobicContact CD2-CB 4.36Å; L197-V262 HydrophobicContact CD2-CG1 4.05Å
263S89.5Confident84.4Confident51 Ų5165.8 Ų65.836%0.35738%0.383SS..EExtended strand (participates in β ladder)trans-118.6132.4174-171.10000110.6L179 M180 R265L179-S263 CarbonylContact O-C 3.51Å; L179-S263 VanDerWaalsContact O-CA 3.23Å; L179-S263 WeakPolarHBondContact O-CA 3.41Å; L179-S263 PolarHBondContact O-OG 3.01Å; M180-S263 WeakPolarHBondContact SD-CB 3.32Å; M180-S263 PolarHBondContact SD-OG 2.97Å; S263-R265 WeakPolarHBondContact OG-CD 3.37Å; S263-R265 WeakPolarHBondContact OG-CG 3.45Å; S263-R265 PolarHBondContact OG-NE 3.4Å
264V91.4Very high86.2Confident16 Ų1659.2 Ų59.210%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-113.7108.3172.4-179.60000107.8V177 D178 L179 L197 V300 L325V177-V264 HydrophobicContact CG1-CG1 4.48Å; D178-V264 WeakPolarHBondContact CA-O 3.45Å; L179-V264 HydrophobicContact CB-CB 4.16Å; L179-V264 HydrophobicContact CD1-CB 4.4Å; L179-V264 PolarHBondContact N-O 3.08Å; L179-V264 PolarHBondContact O-N 2.82Å; L197-V264 HydrophobicContact CD2-CG2 4.43Å; V264-V300 HydrophobicContact CG1-CG2 4.19Å; V264-V300 HydrophobicContact CG2-CG2 4.26Å; V264-L325 HydrophobicContact CG1-CD1 3.77Å
265R91.7Very high87.4Confident166 Ų16655 Ų5563%0.62632%0.32SS*.EExtended strand (participates in β ladder)trans-126.8147.8-174-72.7176.8178.716510.9112V177 D178 M180 S263V177-R265 CarbonylContact O-C 3.55Å; V177-R265 VanDerWaalsContact O-CA 3.26Å; V177-R265 WeakPolarHBondContact O-CA 3.24Å; D178-R265 HydrophobicContact CB-CG 4.33Å; D178-R265 VanDerWaalsContact OD1-CG 3.26Å; D178-R265 WeakPolarHBondContact OD1-CG 3.34Å; D178-R265 IonicContact OD1-CZ 2.87Å; D178-R265 IonicContact OD1-NE 2.96Å; D178-R265 PolarHBondContact OD1-NE 2.64Å; D178-R265 IonicContact OD1-NH2 3.33Å; D178-R265 IonicContact OD2-NE 3.77Å; M180-R265 PolarHBondContact SD-NH2 3.14Å; S263-R265 WeakPolarHBondContact OG-CD 3.37Å; S263-R265 WeakPolarHBondContact OG-CG 3.45Å; S263-R265 PolarHBondContact OG-NE 3.4Å
266G92.4Very high87.8Confident44 Ų4450.2 Ų50.245%0.45429%0.293SS..EExtended strand (participates in β ladder)trans154.4-160.3172.100000113S176 V177S176-G266 CarbonylContact C-O 3.5Å; S176-G266 WeakPolarHBondContact CA-O 3.15Å; V177-G266 PolarHBondContact N-O 3.28Å; V177-G266 PolarHBondContact O-N 3.35Å
267A93.2Very high88Confident64 Ų6450.4 Ų50.453%0.52930%0.298SS..EExtended strand (participates in β ladder)trans-131.6143.8170.600000109.4L175L175-A267 CarbonylContact O-C 3.45Å; L175-A267 VanDerWaalsContact O-CA 3.31Å; L175-A267 WeakPolarHBondContact O-CA 3.36Å
268I95.3Very high88.4Confident11 Ų1146.8 Ų46.86%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-119.7148.2176.459.8159.9000110.9C174 L175 V177 I292 T295 V296 E376C174-I268 VanDerWaalsContact CA-O 3.29Å; C174-I268 WeakPolarHBondContact CA-O 3.31Å; L175-I268 HydrophobicContact CB-CG1 4.13Å; L175-I268 PolarHBondContact N-O 2.93Å; L175-I268 PolarHBondContact O-N 3.06Å; V177-I268 HydrophobicContact CG2-CG1 4.23Å; V177-I268 HydrophobicContact CG2-CG2 4.46Å; I268-I292 HydrophobicContact CD1-CB 4.44Å; I268-I292 HydrophobicContact CD1-CG2 4.1Å; I268-T295 HydrophobicContact CB-CG2 4.35Å; I268-T295 HydrophobicContact CD1-CG2 4.3Å; I268-T295 HydrophobicContact CG2-CG2 4.29Å; I268-V296 HydrophobicContact CD1-CG2 3.72Å; I268-V296 HydrophobicContact CG2-CG2 4.26Å; I268-E376 WeakPolarHBondContact CA-OE1 3.3Å
269H95.5Very high88.9Confident26 Ų2644.1 Ų44.112%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-104.2109.9168.4-17282.4000109.9C174 F330 C375 E376C174-H269 PolarHBondContact SG-ND1 3.14Å; H269-F330 AromaticContact CD2-CE2 3.96Å; H269-C375 HydrophobicContact CB-CB 4.02Å; H269-E376 HydrophobicContact CB-CG 4.06Å; H269-E376 PolarHBondContact N-OE1 2.86Å
270S95.7Very high89.5Confident0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-97.6143.9178.7176.80000111.4S172 C173 D291 I292S172-S270 VanDerWaalsContact CA-O 3.25Å; S172-S270 WeakPolarHBondContact CA-O 3.38Å; C173-S270 PolarHBondContact N-O 3.01Å; C173-S270 PolarHBondContact O-N 3.13Å; S270-D291 WeakPolarHBondContact CA-OD2 3.34Å; S270-D291 VanDerWaalsContact CB-OD2 3.26Å; S270-D291 WeakPolarHBondContact CB-OD2 3.42Å; S270-D291 WeakPolarHBondContact OG-CB 3.43Å; S270-D291 PolarHBondContact OG-OD2 2.84Å; S270-I292 WeakPolarHBondContact OG-CG1 3.43Å
271R95.3Very high90.1Very high16 Ų1644.8 Ų44.86%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-138.5131.3-178.5-169.1176.5-67.1173.41.5110.4P77 G78 T170 V171 F273 D291 F330 S340 D372P77-R271 WeakPolarHBondContact CB-O 3.44Å; G78-R271 PolarHBondContact N-O 2.71Å; T170-R271 HydrophobicContact CG2-CG 3.47Å; T170-R271 VanDerWaalsContact CG2-CG 3.47Å; V171-R271 CarbonylContact O-C 3.58Å; V171-R271 WeakPolarHBondContact O-CA 3.43Å; R271-F273 HydrophobicContact CG-CE1 4.24Å; R271-F273 HydrophobicContact CG-CE2 4.26Å; R271-F273 HydrophobicContact CG-CZ 3.88Å; R271-D291 PolarHBondContact N-OD2 2.86Å; R271-D291 VanDerWaalsContact O-CG 3.25Å; R271-F330 HydrophobicContact CB-CE1 4.03Å; R271-F330 HydrophobicContact CB-CZ 4.08Å; R271-S340 PolarHBondContact NH1-OG 3.45Å; R271-D372 IonicContact NH2-OD2 3.43Å
272A96.1Very high90.5Very high0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-125.2136.8173.100000111.8G78 T170 V171 L287 L288G78-A272 CarbonylContact O-C 3.58Å; G78-A272 WeakPolarHBondContact O-CA 3.36Å; T170-A272 CarbonylContact C-O 3.59Å; T170-A272 WeakPolarHBondContact CA-O 3.41Å; V171-A272 PolarHBondContact N-O 3.49Å; V171-A272 PolarHBondContact O-N 2.96Å; A272-L287 HydrophobicContact CB-CB 4.01Å; A272-L288 HydrophobicContact CB-CB 4.29Å; A272-L288 HydrophobicContact CB-CD1 4.46Å
273F95.6Very high90.8Very high0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-104.4134.2178.1-61.4-70.8000110.9Q33 P77 G78 L80 W168 A169 T170 R271 P338 L339 S340Q33-F273 PolarHBondContact NE2-O 2.89Å; P77-F273 HydrophobicContact CB-CD2 4.24Å; P77-F273 HydrophobicContact CB-CE2 3.84Å; P77-F273 HydrophobicContact CG-CE2 3.99Å; G78-F273 PolarHBondContact O-N 3.25Å; L80-F273 HydrophobicContact CD1-CD2 3.85Å; L80-F273 HydrophobicContact CD1-CE2 4.24Å; L80-F273 HydrophobicContact CG-CD2 4.03Å; W168-F273 HydrophobicContact CE3-CB 3.65Å; W168-F273 HydrophobicContact CZ3-CB 4Å; A169-F273 WeakPolarHBondContact O-CA 3.48Å; T170-F273 HydrophobicContact CG2-CD1 4.36Å; T170-F273 HydrophobicContact CG2-CE1 4Å; T170-F273 WeakPolarHBondContact OG1-CE1 3.1Å; R271-F273 HydrophobicContact CG-CE1 4.24Å; R271-F273 HydrophobicContact CG-CE2 4.26Å; R271-F273 HydrophobicContact CG-CZ 3.88Å; F273-P338 WeakPolarHBondContact CE1-O 3.26Å; F273-L339 HydrophobicContact CB-CD2 3.81Å; F273-L339 HydrophobicContact CD1-CD2 3.71Å; F273-L339 HydrophobicContact CD2-CD2 4.23Å; F273-L339 HydrophobicContact CE1-CD2 4.36Å; F273-L339 HydrophobicContact CG-CD2 3.64Å; F273-S340 WeakPolarHBondContact CE2-O 3.03Å; F273-S340 VanDerWaalsContact CZ-N 3.32Å; F273-S340 WeakPolarHBondContact CZ-OG 3.47Å
274L93.3Very high91.1Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-122.4111.5-176.1-52.5175.2000110W168 A169 V171 L226 S276 P279 L283 A284 L287W168-L274 WeakPolarHBondContact CA-O 3.31Å; W168-L274 VanDerWaalsContact CE3-C 3.49Å; A169-L274 HydrophobicContact CB-CB 4.37Å; A169-L274 PolarHBondContact N-O 2.97Å; A169-L274 VanDerWaalsContact N-O 3.11Å; A169-L274 PolarHBondContact O-N 3.4Å; V171-L274 HydrophobicContact CG2-CD1 3.58Å; V171-L274 HydrophobicContact CG2-CG 4.37Å; L226-L274 HydrophobicContact CD1-CD1 3.98Å; L274-S276 PolarHBondContact O-N 3.43Å; L274-P279 HydrophobicContact CB-CB 3.89Å; L274-P279 HydrophobicContact CB-CG 4.46Å; L274-P279 HydrophobicContact CD1-CB 3.82Å; L274-P279 HydrophobicContact CD1-CG 4.39Å; L274-P279 HydrophobicContact CG-CB 4.46Å; L274-L283 HydrophobicContact CD2-CD2 4.38Å; L274-L283 HydrophobicContact CD2-CG 4.12Å; L274-A284 HydrophobicContact CD1-CB 3.62Å; L274-L287 HydrophobicContact CD2-CD1 3.51Å
275H88.8Confident91.3Very high33 Ų3345.7 Ų45.715%0.15324%0.235CC..EExtended strand (participates in β ladder)trans-86.293.8171-174.3-77.7000109.6F40 W168F40-H275 AromaticContact CD1-CE1 3.27Å; F40-H275 WeakPolarHBondContact CD1-CE1 3.4Å; F40-H275 AromaticContact CD1-ND1 3.72Å; F40-H275 AromaticContact CD1-NE2 3.46Å; F40-H275 WeakPolarHBondContact CD1-NE2 3.4Å; F40-H275 HydrophobicContact CD2-CB 4.25Å; F40-H275 AromaticContact CD2-CE1 3.74Å; F40-H275 AromaticContact CD2-CG 3.69Å; F40-H275 AromaticContact CD2-ND1 3.28Å; F40-H275 VanDerWaalsContact CD2-ND1 3.28Å; F40-H275 WeakPolarHBondContact CD2-ND1 3.5Å; F40-H275 AromaticContact CE1-CE1 3.02Å; F40-H275 WeakPolarHBondContact CE1-CE1 3.38Å; F40-H275 AromaticContact CE1-ND1 3.61Å; F40-H275 AromaticContact CE1-NE2 3.63Å; F40-H275 AromaticContact CE2-CE1 3.52Å; F40-H275 AromaticContact CE2-ND1 3.15Å; F40-H275 WeakPolarHBondContact CE2-ND1 3.48Å; F40-H275 AromaticContact CG-CD2 3.92Å; F40-H275 AromaticContact CG-CE1 3.63Å; F40-H275 AromaticContact CG-CG 3.76Å; F40-H275 AromaticContact CG-ND1 3.57Å; F40-H275 AromaticContact CG-NE2 3.85Å; F40-H275 AromaticContact CZ-CE1 3.15Å; F40-H275 WeakPolarHBondContact CZ-CE1 3.45Å; F40-H275 AromaticContact CZ-ND1 3.33Å; F40-H275 VanDerWaalsContact CZ-ND1 3.33Å; F40-H275 WeakPolarHBondContact CZ-ND1 3.5Å; W168-H275 HydrophobicContact CD2-CB 3.84Å; W168-H275 AromaticContact CE2-CD2 3.48Å; W168-H275 VanDerWaalsContact CE2-CD2 3.48Å; W168-H275 AromaticContact CE2-CG 3.99Å; W168-H275 HydrophobicContact CE3-CB 3.69Å; W168-H275 VanDerWaalsContact CE3-N 3.3Å; W168-H275 HydrophobicContact CH2-CB 3.53Å; W168-H275 HydrophobicContact CZ2-CB 3.57Å; W168-H275 AromaticContact CZ2-CD2 3.56Å; W168-H275 AromaticContact CZ2-CG 3.86Å; W168-H275 HydrophobicContact CZ3-CB 3.58Å; W168-H275 AromaticContact NE1-CD2 3.53Å
276S78.1Confident91.4Very high44 Ų4439.5 Ų39.531%0.30821%0.213SC..  trans-166.6145.9167.3-179.60000109.4L274 K278 P279L274-S276 PolarHBondContact O-N 3.43Å; S276-K278 PolarHBondContact O-N 2.98Å; S276-K278 PolarHBondContact OG-N 2.81Å; S276-K278 PolarHBondContact OG-O 3.33Å; S276-K278 VanDerWaalsContact OG-O 3.1Å; S276-P279 WeakPolarHBondContact O-CD 3.38Å
277N73.8Confident91.6Very high135 Ų13538.4 Ų38.472%0.72220%0.196SC*.SBendtrans-65.2-20.7167.3-68.8-27.7000112.1
278K82.2Confident91.8Very high115 Ų11535.4 Ų35.450%0.517%0.172SC..SBendtrans-143.671.1-176.3-72.9159159.5-88.10108.8E225 S276E225-K278 HydrophobicContact CG-CB 4.09Å; E225-K278 WeakPolarHBondContact OE1-CD 3.25Å; E225-K278 IonicContact OE1-NZ 2.76Å; E225-K278 PolarHBondContact OE1-NZ 2.81Å; E225-K278 WeakPolarHBondContact OE2-CG 3.42Å; E225-K278 IonicContact OE2-NZ 2.71Å; E225-K278 PolarHBondContact OE2-NZ 3.41Å; S276-K278 PolarHBondContact O-N 2.98Å; S276-K278 PolarHBondContact OG-N 2.81Å; S276-K278 PolarHBondContact OG-O 3.33Å; S276-K278 VanDerWaalsContact OG-O 3.1Å
279P87.1Confident91.9Very high3 Ų335.9 Ų35.92%0.01917%0.173CC..  trans-66.7137.7-179.121.2-21.3000109.7A169 L226 L274 S276A169-P279 HydrophobicContact CB-CG 4.19Å; L226-P279 HydrophobicContact CB-CG 4.2Å; L226-P279 HydrophobicContact CD1-CB 4.49Å; L226-P279 WeakPolarHBondContact CG-O 3.24Å; L226-P279 PolarHBondContact N-O 3.27Å; L274-P279 HydrophobicContact CB-CB 3.89Å; L274-P279 HydrophobicContact CB-CG 4.46Å; L274-P279 HydrophobicContact CD1-CB 3.82Å; L274-P279 HydrophobicContact CD1-CG 4.39Å; L274-P279 HydrophobicContact CG-CB 4.46Å; S276-P279 WeakPolarHBondContact O-CD 3.38Å
280K91.4Very high91.9Very high98 Ų9836.8 Ų36.843%0.42618%0.176SC..BIsolated β-bridgetrans-85.2147.6177.9-69.7-173.3171-165.80110.9D223 S224 K282 L283 A284D223-K280 IonicContact OD1-NZ 2.68Å; D223-K280 PolarHBondContact OD1-NZ 2.85Å; S224-K280 WeakPolarHBondContact O-CA 3.45Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3.19Å; K280-L283 PolarHBondContact O-N 2.85Å; K280-L283 VanDerWaalsContact O-N 3.16Å; K280-A284 PolarHBondContact O-N 3.29Å
281A93.6Very high92.1Very high3 Ų336.9 Ų36.93%0.02518%0.176CC..Hα-helixtrans-55.2-42175.500000112.6I215 L220 S224 L226 L283 A284 E285I215-A281 HydrophobicContact CD1-CB 4.18Å; L220-A281 HydrophobicContact CB-CB 3.86Å; L220-A281 HydrophobicContact CD1-CB 4.34Å; S224-A281 PolarHBondContact O-N 3.09Å; L226-A281 HydrophobicContact CD2-CB 4.04Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 PolarHBondContact O-N 3.5Å; A281-A284 WeakPolarHBondContact O-CB 3.37Å; A281-A284 PolarHBondContact O-N 3.22Å; A281-E285 WeakPolarHBondContact O-CB 3.48Å; A281-E285 PolarHBondContact O-N 3.42Å
282K93.8Very high92.2Very high94 Ų9436.1 Ų36.141%0.40917%0.173SC..Hα-helixtrans-56.8-44.2176.6-175.8178-168.9146.20113.4E222 K280 K286E222-K282 HydrophobicContact CB-CB 4.02Å; E222-K282 HydrophobicContact CB-CD 4.33Å; E222-K282 HydrophobicContact CG-CB 4.41Å; E222-K282 WeakPolarHBondContact O-CB 3.26Å; E222-K282 PolarHBondContact O-N 2.92Å; E222-K282 WeakPolarHBondContact OE2-CD 3.18Å; E222-K282 WeakPolarHBondContact OE2-CE 3.38Å; E222-K282 IonicContact OE2-NZ 3.73Å; E222-K282 PolarHBondContact OE2-NZ 3.39Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3.19Å; K282-K286 VanDerWaalsContact O-CB 3.24Å; K282-K286 WeakPolarHBondContact O-CB 3.4Å; K282-K286 PolarHBondContact O-N 3.29Å
283L93.4Very high92.2Very high56 Ų5636.3 Ų36.329%0.29318%0.175SC..Hα-helixtrans-67.4-42.4-179.718064.2000110.8L274 K280 A281 K286 L287L274-L283 HydrophobicContact CD2-CD2 4.38Å; L274-L283 HydrophobicContact CD2-CG 4.12Å; K280-L283 PolarHBondContact O-N 2.85Å; K280-L283 VanDerWaalsContact O-N 3.16Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 PolarHBondContact O-N 3.5Å; L283-K286 PolarHBondContact O-N 3.04Å; L283-L287 HydrophobicContact CD1-CD1 3.73Å; L283-L287 HydrophobicContact CD1-CG 4Å; L283-L287 HydrophobicContact CG-CD1 3.9Å; L283-L287 HydrophobicContact CG-CG 4.45Å; L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.42Å
284A94.8Very high92.2Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-59-51.1176.100000112.3V171 I215 L226 L274 K280 A281 K286 L287 L288V171-A284 HydrophobicContact CG2-CB 4.05Å; I215-A284 HydrophobicContact CD1-CB 4.18Å; L226-A284 HydrophobicContact CD1-CB 3.6Å; L274-A284 HydrophobicContact CD1-CB 3.62Å; K280-A284 PolarHBondContact O-N 3.29Å; A281-A284 WeakPolarHBondContact O-CB 3.37Å; A281-A284 PolarHBondContact O-N 3.22Å; A284-K286 PolarHBondContact O-N 3.27Å; A284-L287 PolarHBondContact O-N 3.08Å; A284-L288 WeakPolarHBondContact O-CB 3.44Å; A284-L288 PolarHBondContact O-N 2.95Å
285E95.8Very high92.4Very high52 Ų5238 Ų3824%0.24319%0.186CC..Hα-helixtrans-58.9-47.6177.4173.7172.9177.700111.7C213 A281 L287 L288 K289C213-E285 HydrophobicContact CB-CB 4.08Å; C213-E285 HydrophobicContact CB-CG 3.57Å; A281-E285 WeakPolarHBondContact O-CB 3.48Å; A281-E285 PolarHBondContact O-N 3.42Å; E285-L287 PolarHBondContact O-N 3.23Å; E285-L288 PolarHBondContact O-N 2.98Å; E285-K289 HydrophobicContact CG-CD 3.89Å; E285-K289 WeakPolarHBondContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.15Å; E285-K289 PolarHBondContact O-N 2.82Å; E285-K289 WeakPolarHBondContact OE1-CE 3.07Å; E285-K289 IonicContact OE1-NZ 3.52Å; E285-K289 PolarHBondContact OE1-NZ 3.34Å
286K95.4Very high92.8Very high35 Ų3536.7 Ų36.715%0.15218%0.18CC..Hα-helixtrans-58.4-49.7179.4178.1178.2173.8-177.60112.1D122 D123 K282 L283 A284 R290D122-K286 IonicContact OD1-NZ 3.71Å; D122-K286 PolarHBondContact OD1-NZ 2.84Å; D122-K286 IonicContact OD2-NZ 2.68Å; D122-K286 PolarHBondContact OD2-NZ 3.36Å; D123-K286 WeakPolarHBondContact OD1-CE 3.44Å; D123-K286 IonicContact OD1-NZ 3.43Å; D123-K286 PolarHBondContact OD1-NZ 3.32Å; K282-K286 VanDerWaalsContact O-CB 3.24Å; K282-K286 WeakPolarHBondContact O-CB 3.4Å; K282-K286 PolarHBondContact O-N 3.29Å; L283-K286 PolarHBondContact O-N 3.04Å; A284-K286 PolarHBondContact O-N 3.27Å; K286-R290 VanDerWaalsContact CE-NH1 3.26Å; K286-R290 WeakPolarHBondContact O-CG 3.33Å; K286-R290 PolarHBondContact O-N 3.41Å; K286-R290 VanDerWaalsContact O-N 3.17Å
287L96.1Very high93.6Very high21 Ų2135.1 Ų35.111%0.1117%0.17CC..Hα-helixtrans-71.5-35.1-176.9-66.9177.2000112.5A272 L274 L283 A284 E285 D291A272-L287 HydrophobicContact CB-CB 4.01Å; L274-L287 HydrophobicContact CD2-CD1 3.51Å; L283-L287 HydrophobicContact CD1-CD1 3.73Å; L283-L287 HydrophobicContact CD1-CG 4Å; L283-L287 HydrophobicContact CG-CD1 3.9Å; L283-L287 HydrophobicContact CG-CG 4.45Å; L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.42Å; A284-L287 PolarHBondContact O-N 3.08Å; E285-L287 PolarHBondContact O-N 3.23Å; L287-D291 PolarHBondContact O-N 2.99Å
288L97.1Very high94.6Very high1 Ų129.2 Ų29.21%0.00514%0.139CC..Hα-helixtrans-66.5-47175.6-176.271.7000111.7V171 C173 A240 A272 A284 E285 R290 D291 I292V171-L288 HydrophobicContact CG1-CD1 4.44Å; V171-L288 HydrophobicContact CG1-CD2 4.13Å; C173-L288 HydrophobicContact CB-CD1 3.89Å; C173-L288 HydrophobicContact CB-CD2 3.8Å; C173-L288 HydrophobicContact CB-CG 4.19Å; A240-L288 HydrophobicContact CB-CD2 3.5Å; A240-L288 VanDerWaalsContact CB-CD2 3.5Å; A272-L288 HydrophobicContact CB-CB 4.29Å; A272-L288 HydrophobicContact CB-CD1 4.46Å; A284-L288 WeakPolarHBondContact O-CB 3.44Å; A284-L288 PolarHBondContact O-N 2.95Å; E285-L288 PolarHBondContact O-N 2.98Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 2.8Å; L288-D291 PolarHBondContact O-N 2.88Å; L288-I292 HydrophobicContact CG-CD1 4.33Å; L288-I292 WeakPolarHBondContact O-CG1 3.28Å; L288-I292 PolarHBondContact O-N 3.08Å
289K97.1Very high95.2Very high22 Ų2224.5 Ų24.510%0.09612%0.118CC..Hα-helixtrans-59.5-40.8176.7-76.5173.6168-179.30112I208 E209 G211 L242 E285 I292 V293I208-K289 HydrophobicContact CG2-CB 4.08Å; I208-K289 HydrophobicContact CG2-CG 4.12Å; I208-K289 WeakPolarHBondContact O-CD 3.06Å; I208-K289 WeakPolarHBondContact O-CE 3.44Å; E209-K289 PolarHBondContact O-NZ 2.86Å; G211-K289 VanDerWaalsContact O-CE 3.31Å; G211-K289 WeakPolarHBondContact O-CE 3.42Å; G211-K289 PolarHBondContact O-NZ 3.45Å; L242-K289 HydrophobicContact CD1-CG 4.41Å; E285-K289 HydrophobicContact CG-CD 3.89Å; E285-K289 WeakPolarHBondContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.15Å; E285-K289 PolarHBondContact O-N 2.82Å; E285-K289 WeakPolarHBondContact OE1-CE 3.07Å; E285-K289 IonicContact OE1-NZ 3.52Å; E285-K289 PolarHBondContact OE1-NZ 3.34Å; K289-I292 PolarHBondContact O-N 3.45Å; K289-V293 WeakPolarHBondContact O-CG2 3.37Å; K289-V293 PolarHBondContact O-N 3.35Å
290R96.7Very high95.4Very high44 Ų4424.7 Ų24.717%0.16612%0.119CC..Hα-helixtrans-62.8-43.8175-73.3176.4176.9-177.3-3.7112.1W117 D123 K286 L288 I292 V293 S294W117-R290 HydrophobicContact CD2-CB 4.5Å; W117-R290 HydrophobicContact CD2-CG 3.95Å; W117-R290 HydrophobicContact CG-CG 4.11Å; W117-R290 HydrophobicContact CZ2-CB 4.47Å; W117-R290 HydrophobicContact CZ2-CG 4.43Å; D123-R290 IonicContact OD1-CZ 2.96Å; D123-R290 IonicContact OD1-NH1 3.79Å; D123-R290 PolarHBondContact OD1-NH1 3.24Å; D123-R290 IonicContact OD1-NH2 2.61Å; D123-R290 PolarHBondContact OD1-NH2 3.07Å; D123-R290 IonicContact OD2-CZ 2.71Å; D123-R290 IonicContact OD2-NH1 2.64Å; D123-R290 PolarHBondContact OD2-NH1 3.27Å; D123-R290 IonicContact OD2-NH2 3.29Å; D123-R290 PolarHBondContact OD2-NH2 2.66Å; K286-R290 VanDerWaalsContact CE-NH1 3.26Å; K286-R290 WeakPolarHBondContact O-CG 3.33Å; K286-R290 PolarHBondContact O-N 3.41Å; K286-R290 VanDerWaalsContact O-N 3.17Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 2.8Å; R290-I292 PolarHBondContact O-N 3.34Å; R290-V293 PolarHBondContact O-N 3.16Å; R290-S294 WeakPolarHBondContact O-CB 3.41Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 PolarHBondContact O-OG 2.96Å
291D97.9Very high95.4Very high2 Ų222.2 Ų22.21%0.01111%0.109CC..Hα-helixtrans-62.6-42176.5-174.274.8000112.4P77 G78 S270 R271 L287 L288 V293 S294 T295 R328P77-D291 VanDerWaalsContact CA-OD1 3.24Å; P77-D291 WeakPolarHBondContact CA-OD1 3.28Å; G78-D291 PolarHBondContact N-OD1 3.14Å; S270-D291 WeakPolarHBondContact CA-OD2 3.34Å; S270-D291 VanDerWaalsContact CB-OD2 3.26Å; S270-D291 WeakPolarHBondContact CB-OD2 3.42Å; S270-D291 WeakPolarHBondContact OG-CB 3.43Å; S270-D291 PolarHBondContact OG-OD2 2.84Å; R271-D291 PolarHBondContact N-OD2 2.86Å; R271-D291 VanDerWaalsContact O-CG 3.25Å; L287-D291 PolarHBondContact O-N 2.99Å; L288-D291 PolarHBondContact O-N 2.88Å; D291-V293 PolarHBondContact O-N 3.07Å; D291-S294 PolarHBondContact O-N 3.06Å; D291-T295 VanDerWaalsContact O-CB 3.24Å; D291-T295 WeakPolarHBondContact O-CB 3.07Å; D291-T295 PolarHBondContact O-N 3.44Å; D291-T295 PolarHBondContact O-OG1 3.34Å; D291-R328 IonicContact OD1-CZ 2.71Å; D291-R328 IonicContact OD1-NH1 3.23Å; D291-R328 PolarHBondContact OD1-NH1 2.83Å; D291-R328 IonicContact OD1-NH2 3.93Å; D291-R328 PolarHBondContact OD1-NH2 3.47Å; D291-R328 IonicContact OD2-CZ 3.67Å; D291-R328 IonicContact OD2-NH1 3.47Å; D291-R328 PolarHBondContact OD2-NH1 3.15Å; D291-R328 IonicContact OD2-NH2 2.65Å
292I97.4Very high95.3Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-55.5-52.1173.8-72.3169.8000110.5L175 W204 I208 L242 I268 S270 L288 K289 R290 T295 V296L175-I292 HydrophobicContact CD2-CD1 4.48Å; L175-I292 HydrophobicContact CD2-CG2 3.58Å; W204-I292 HydrophobicContact CH2-CG2 3.77Å; W204-I292 HydrophobicContact CZ2-CG2 4.09Å; I208-I292 HydrophobicContact CD1-CG2 4.08Å; I208-I292 HydrophobicContact CG1-CG2 4.22Å; I208-I292 HydrophobicContact CG2-CB 4.36Å; I208-I292 HydrophobicContact CG2-CG2 3.94Å; L242-I292 HydrophobicContact CD2-CD1 3.8Å; I268-I292 HydrophobicContact CD1-CB 4.44Å; I268-I292 HydrophobicContact CD1-CG2 4.1Å; S270-I292 WeakPolarHBondContact OG-CG1 3.43Å; L288-I292 HydrophobicContact CG-CD1 4.33Å; L288-I292 WeakPolarHBondContact O-CG1 3.28Å; L288-I292 PolarHBondContact O-N 3.08Å; K289-I292 PolarHBondContact O-N 3.45Å; R290-I292 PolarHBondContact O-N 3.34Å; I292-T295 PolarHBondContact O-N 2.78Å; I292-V296 PolarHBondContact O-N 2.68Å
293V97.1Very high95Very high5 Ų521.3 Ų21.33%0.0311%0.108CC..Hα-helixtrans-63.8-49-177.9172.20000111.2L116 W117 W204 A205 I208 K289 R290 D291 T295 V296 A297L116-V293 HydrophobicContact CB-CG1 3.67Å; L116-V293 HydrophobicContact CD1-CG1 4.24Å; L116-V293 HydrophobicContact CG-CG1 4.42Å; W117-V293 HydrophobicContact CE3-CB 4.31Å; W117-V293 HydrophobicContact CE3-CG1 3.92Å; W117-V293 HydrophobicContact CZ3-CG1 4.29Å; W204-V293 HydrophobicContact CZ3-CG2 4.31Å; A205-V293 HydrophobicContact CB-CG1 3.66Å; A205-V293 HydrophobicContact CB-CG2 3.94Å; I208-V293 HydrophobicContact CB-CG2 3.89Å; I208-V293 HydrophobicContact CG1-CG2 4.22Å; I208-V293 HydrophobicContact CG2-CG2 3.75Å; K289-V293 WeakPolarHBondContact O-CG2 3.37Å; K289-V293 PolarHBondContact O-N 3.35Å; R290-V293 PolarHBondContact O-N 3.16Å; D291-V293 PolarHBondContact O-N 3.07Å; V293-T295 VanDerWaalsContact C-N 3.33Å; V293-T295 PolarHBondContact O-N 2.78Å; V293-V296 PolarHBondContact O-N 2.97Å; V293-A297 VanDerWaalsContact O-CB 3.28Å; V293-A297 WeakPolarHBondContact O-CB 3.39Å; V293-A297 PolarHBondContact O-N 3.47Å
294S96.4Very high94.5Very high35 Ų3521.3 Ų21.325%0.24511%0.107CC..Hα-helixtrans-55.7-46.9175.8-77.90000112.2W117 R290 D291 V296 A297 T298W117-S294 WeakPolarHBondContact CH2-OG 3.44Å; W117-S294 WeakPolarHBondContact CZ3-OG 3.49Å; R290-S294 WeakPolarHBondContact O-CB 3.41Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 PolarHBondContact O-OG 2.96Å; D291-S294 PolarHBondContact O-N 3.06Å; S294-V296 PolarHBondContact O-N 2.77Å; S294-A297 PolarHBondContact O-N 3.13Å; S294-T298 VanDerWaalsContact O-CB 3.27Å; S294-T298 WeakPolarHBondContact O-CB 3.43Å; S294-T298 PolarHBondContact O-N 2.95Å; S294-T298 PolarHBondContact O-OG1 3.21Å
295T96.6Very high94Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-60-47.8-174.8-61.50000111.6I268 D291 I292 V293 R299 R328 Y344I268-T295 HydrophobicContact CB-CG2 4.35Å; I268-T295 HydrophobicContact CD1-CG2 4.3Å; I268-T295 HydrophobicContact CG2-CG2 4.29Å; D291-T295 VanDerWaalsContact O-CB 3.24Å; D291-T295 WeakPolarHBondContact O-CB 3.07Å; D291-T295 PolarHBondContact O-N 3.44Å; D291-T295 PolarHBondContact O-OG1 3.34Å; I292-T295 PolarHBondContact O-N 2.78Å; V293-T295 VanDerWaalsContact C-N 3.33Å; V293-T295 PolarHBondContact O-N 2.78Å; T295-R299 VanDerWaalsContact O-CG 3.28Å; T295-R299 WeakPolarHBondContact O-CG 3.33Å; T295-R299 PolarHBondContact O-N 3.42Å; T295-R328 PolarHBondContact OG1-NH1 2.8Å; T295-Y344 HydrophobicContact CG2-CE1 4.19Å
296V96.1Very high93Very high5 Ų526.6 Ų26.63%0.0313%0.132CC..Hα-helixtrans-68.9-45179178.70000110.9V177 L179 L201 W204 I268 I292 V293 S294 T298 R299 V300V177-V296 HydrophobicContact CG1-CG1 4.48Å; V177-V296 HydrophobicContact CG2-CG2 3.94Å; L179-V296 HydrophobicContact CD1-CG1 4.48Å; L201-V296 HydrophobicContact CD2-CG1 3.94Å; W204-V296 HydrophobicContact CH2-CB 3.67Å; W204-V296 HydrophobicContact CH2-CG1 4.2Å; W204-V296 HydrophobicContact CH2-CG2 3.37Å; W204-V296 HydrophobicContact CZ2-CG2 4.1Å; W204-V296 HydrophobicContact CZ3-CB 3.68Å; W204-V296 HydrophobicContact CZ3-CG1 4.06Å; W204-V296 HydrophobicContact CZ3-CG2 3.96Å; I268-V296 HydrophobicContact CD1-CG2 3.72Å; I268-V296 HydrophobicContact CG2-CG2 4.26Å; I292-V296 PolarHBondContact O-N 2.68Å; V293-V296 PolarHBondContact O-N 2.97Å; S294-V296 PolarHBondContact O-N 2.77Å; V296-T298 PolarHBondContact O-N 3.02Å; V296-R299 PolarHBondContact O-N 3.22Å; V296-V300 HydrophobicContact CG1-CG2 4.45Å; V296-V300 WeakPolarHBondContact O-CG2 3.35Å; V296-V300 PolarHBondContact O-N 3.18Å
297A95.3Very high91.3Very high11 Ų1130 Ų309%0.09116%0.158CC..Hα-helixtrans-59.5-46.5-18000000112.1L116 V293 S294 V300 Q301L116-A297 HydrophobicContact CD1-CB 3.57Å; L116-A297 HydrophobicContact CG-CB 4.22Å; V293-A297 VanDerWaalsContact O-CB 3.28Å; V293-A297 WeakPolarHBondContact O-CB 3.39Å; V293-A297 PolarHBondContact O-N 3.47Å; S294-A297 PolarHBondContact O-N 3.13Å; A297-V300 PolarHBondContact O-N 3.24Å; A297-Q301 VanDerWaalsContact O-CB 3.3Å; A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 2.99Å
298T95.6Very high89.3Confident11 Ų1135.4 Ų35.47%0.06718%0.182CC..Hα-helixtrans-60.5-46.7177.9-65.90000111.5R74 S294 V296 V300 Q301 M302 Y344R74-T298 HydrophobicContact CB-CG2 3.82Å; R74-T298 HydrophobicContact CG-CG2 3.75Å; S294-T298 VanDerWaalsContact O-CB 3.27Å; S294-T298 WeakPolarHBondContact O-CB 3.43Å; S294-T298 PolarHBondContact O-N 2.95Å; S294-T298 PolarHBondContact O-OG1 3.21Å; V296-T298 PolarHBondContact O-N 3.02Å; T298-V300 PolarHBondContact O-N 3.32Å; T298-Q301 PolarHBondContact O-N 3.37Å; T298-M302 HydrophobicContact CG2-CG 4.22Å; T298-M302 HydrophobicContact CG2-SD 3.82Å; T298-M302 WeakPolarHBondContact O-CB 3.28Å; T298-M302 VanDerWaalsContact O-CG 3.26Å; T298-M302 WeakPolarHBondContact O-CG 3.27Å; T298-M302 PolarHBondContact O-N 2.68Å; T298-Y344 HydrophobicContact CG2-CD2 3.92Å; T298-Y344 HydrophobicContact CG2-CE2 3.48Å; T298-Y344 VanDerWaalsContact CG2-CE2 3.48Å
299R94Very high86.8Confident16 Ų1643.5 Ų43.56%0.0622%0.218CC..Hα-helixtrans-60.8-46.5179.1-71.4176.2-161.5-151.13.8112.3T295 V296 Q301 M302 L303 L325 P326 Y344 E376T295-R299 VanDerWaalsContact O-CG 3.28Å; T295-R299 WeakPolarHBondContact O-CG 3.33Å; T295-R299 PolarHBondContact O-N 3.42Å; V296-R299 PolarHBondContact O-N 3.22Å; R299-Q301 VanDerWaalsContact C-N 3.32Å; R299-M302 PolarHBondContact O-N 3.42Å; R299-L303 PolarHBondContact O-N 3.41Å; R299-L303 VanDerWaalsContact O-N 3.17Å; R299-L325 HydrophobicContact CB-CB 4.3Å; R299-L325 HydrophobicContact CB-CD1 4.34Å; R299-L325 HydrophobicContact CB-CD2 4.35Å; R299-L325 WeakPolarHBondContact O-CD2 3.3Å; R299-P326 WeakPolarHBondContact CD-O 3.43Å; R299-P326 HydrophobicContact CG-CG 4.35Å; R299-Y344 HydrophobicContact CG-CD1 3.66Å; R299-Y344 HydrophobicContact CG-CE1 3.7Å; R299-E376 IonicContact CZ-OE1 3.96Å; R299-E376 IonicContact CZ-OE2 2.71Å; R299-E376 IonicContact NH1-OE1 3.75Å; R299-E376 IonicContact NH1-OE2 2.72Å; R299-E376 PolarHBondContact NH1-OE2 2.81Å; R299-E376 IonicContact NH2-OE1 3.9Å; R299-E376 PolarHBondContact NH2-OE1 2.91Å; R299-E376 IonicContact NH2-OE2 2.8Å; R299-E376 PolarHBondContact NH2-OE2 2.72Å
300V92.5Very high84.2Confident7 Ų749.9 Ų49.94%0.04225%0.248CC..Hα-helixtrans-61.7-45.6177.5173.80000109.7L197 L201 V264 V296 A297 T298 M302 L303 L304 L325L197-V300 HydrophobicContact CD1-CG1 4.33Å; L201-V300 HydrophobicContact CD1-CB 4.16Å; L201-V300 HydrophobicContact CD1-CG1 4.03Å; L201-V300 HydrophobicContact CD1-CG2 4.4Å; V264-V300 HydrophobicContact CG1-CG2 4.19Å; V264-V300 HydrophobicContact CG2-CG2 4.26Å; V296-V300 HydrophobicContact CG1-CG2 4.45Å; V296-V300 WeakPolarHBondContact O-CG2 3.35Å; V296-V300 PolarHBondContact O-N 3.18Å; A297-V300 PolarHBondContact O-N 3.24Å; T298-V300 PolarHBondContact O-N 3.32Å; V300-M302 PolarHBondContact O-N 2.9Å; V300-L303 PolarHBondContact O-N 3.05Å; V300-L304 HydrophobicContact CG1-CD1 3.99Å; V300-L304 HydrophobicContact CG1-CG 4.43Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 2.94Å; V300-L304 VanDerWaalsContact O-N 3.08Å; V300-L325 HydrophobicContact CG2-CD1 4.3Å
301Q91.1Very high81.6Confident47 Ų4753.7 Ų53.722%0.2227%0.272CS..Hα-helixtrans-64-41.1179.8-172175.5-2.700112.6E114 A297 T298 R299 L303 L304 E305E114-Q301 PolarHBondContact OE1-NE2 2.97Å; E114-Q301 PolarHBondContact OE2-OE1 3.08Å; A297-Q301 VanDerWaalsContact O-CB 3.3Å; A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 2.99Å; T298-Q301 PolarHBondContact O-N 3.37Å; R299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 2.77Å; Q301-L304 PolarHBondContact O-N 2.69Å; Q301-L304 VanDerWaalsContact O-N 3.16Å; Q301-E305 HydrophobicContact CG-CG 4.22Å; Q301-E305 WeakPolarHBondContact CG-OE1 3.49Å; Q301-E305 PolarHBondContact NE2-OE1 2.65Å; Q301-E305 WeakPolarHBondContact O-CB 3.27Å; Q301-E305 VanDerWaalsContact O-CG 3.29Å; Q301-E305 WeakPolarHBondContact O-CG 3.31Å; Q301-E305 PolarHBondContact O-N 2.66Å
302M90.7Very high79Confident31 Ų3159.7 Ų59.715%0.15330%0.3CS..Hα-helixtrans-60.4-41176.8-74.2177.97000111.9T298 R299 V300 E305 E306 P326 Y344 F346T298-M302 HydrophobicContact CG2-CG 4.22Å; T298-M302 HydrophobicContact CG2-SD 3.82Å; T298-M302 WeakPolarHBondContact O-CB 3.28Å; T298-M302 VanDerWaalsContact O-CG 3.26Å; T298-M302 WeakPolarHBondContact O-CG 3.27Å; T298-M302 PolarHBondContact O-N 2.68Å; R299-M302 PolarHBondContact O-N 3.42Å; V300-M302 PolarHBondContact O-N 2.9Å; M302-E305 PolarHBondContact O-N 2.8Å; M302-E306 PolarHBondContact O-N 3Å; M302-P326 HydrophobicContact CB-CG 4.48Å; M302-P326 HydrophobicContact CE-CG 4.41Å; M302-P326 HydrophobicContact SD-CG 4.4Å; M302-Y344 HydrophobicContact SD-CD2 3.8Å; M302-Y344 HydrophobicContact SD-CG 3.89Å; M302-F346 HydrophobicContact CB-CZ 4.05Å; M302-F346 HydrophobicContact CE-CE2 3.63Å; M302-F346 HydrophobicContact CE-CZ 4.06Å
303L87.4Confident76.5Confident47 Ų4768.7 Ų68.725%0.24634%0.341CS..Hα-helixtrans-65.3-38.5175.2-178.768.6000112.1R299 V300 Q301 E306 L325R299-L303 PolarHBondContact O-N 3.41Å; R299-L303 VanDerWaalsContact O-N 3.17Å; V300-L303 PolarHBondContact O-N 3.05Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 2.77Å; L303-E306 WeakPolarHBondContact O-CB 3.48Å; L303-E306 PolarHBondContact O-N 2.97Å; L303-L325 HydrophobicContact CB-CD2 3.8Å; L303-L325 HydrophobicContact CD2-CD2 3.65Å; L303-L325 HydrophobicContact CG-CD2 4.31Å
304L83.8Confident73.9Confident55 Ų5572.4 Ų72.429%0.28836%0.361SS..Hα-helixtrans-73-28.6178-64.3175.1000112.9M193 L197 V300 Q301 E306M193-L304 HydrophobicContact CE-CD2 3.79Å; L197-L304 HydrophobicContact CD1-CD1 4.01Å; L197-L304 HydrophobicContact CD1-CD2 4.05Å; V300-L304 HydrophobicContact CG1-CD1 3.99Å; V300-L304 HydrophobicContact CG1-CG 4.43Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 2.94Å; V300-L304 VanDerWaalsContact O-N 3.08Å; Q301-L304 PolarHBondContact O-N 2.69Å; Q301-L304 VanDerWaalsContact O-N 3.16Å; L304-E306 VanDerWaalsContact C-N 3.29Å
305E84.5Confident71Confident82 Ų8278.7 Ų78.738%0.38338%0.384SS..Hα-helixtrans-75.5-18.6175.1-74.6172.1178.900112.2R70 R74 Q301 M302R70-E305 IonicContact CZ-OE1 3.48Å; R70-E305 IonicContact NH1-OE1 3.87Å; R70-E305 PolarHBondContact NH1-OE1 3.47Å; R70-E305 IonicContact NH1-OE2 2.81Å; R70-E305 IonicContact NH2-OE1 3.95Å; R74-E305 IonicContact CZ-OE1 2.88Å; R74-E305 IonicContact CZ-OE2 3.46Å; R74-E305 IonicContact NH1-OE1 3.49Å; R74-E305 IonicContact NH1-OE2 3.7Å; R74-E305 PolarHBondContact NH1-OE2 2.81Å; R74-E305 IonicContact NH2-OE1 3.35Å; R74-E305 PolarHBondContact NH2-OE1 3.36Å; R74-E305 IonicContact NH2-OE2 3.28Å; R74-E305 PolarHBondContact NH2-OE2 3.06Å; Q301-E305 HydrophobicContact CG-CG 4.22Å; Q301-E305 WeakPolarHBondContact CG-OE1 3.49Å; Q301-E305 PolarHBondContact NE2-OE1 2.65Å; Q301-E305 WeakPolarHBondContact O-CB 3.27Å; Q301-E305 VanDerWaalsContact O-CG 3.29Å; Q301-E305 WeakPolarHBondContact O-CG 3.31Å; Q301-E305 PolarHBondContact O-N 2.66Å; M302-E305 PolarHBondContact O-N 2.8Å
306E74.8Confident68.1Low82 Ų8282.2 Ų82.238%0.38342%0.421SS..SBendtrans-65.3124.9179.3-161.9-179.8-176.800110.1M302 L303 L304 Q308M302-E306 PolarHBondContact O-N 3Å; L303-E306 WeakPolarHBondContact O-CB 3.48Å; L303-E306 PolarHBondContact O-N 2.97Å; L304-E306 VanDerWaalsContact C-N 3.29Å; E306-Q308 PolarHBondContact O-N 2.77Å
307P59.1Low65.4Low106 Ų10690.7 Ų90.769%0.68845%0.452SS*.  trans-61.9114.4178.622.8-30.2000108.7K309P307-K309 VanDerWaalsContact C-N 3.33Å; P307-K309 PolarHBondContact O-N 3.43Å
308Q54.9Low62.9Low134 Ų134100.8 Ų100.863%0.62649%0.494SS*.  trans-53.898.4174.2-70.5-175-34.100108.5E306 Q310E306-Q308 PolarHBondContact O-N 2.77Å; Q308-Q310 VanDerWaalsContact C-N 3.26Å; Q308-Q310 PolarHBondContact O-N 3.44Å
309K44.9Very low60.4Low171 Ų171104.8 Ų104.874%0.74351%0.512SS*.  trans-61.2100.4164.5-71.4176.2-175.1162.30104.2P307 N311P307-K309 VanDerWaalsContact C-N 3.33Å; P307-K309 PolarHBondContact O-N 3.43Å; K309-N311 PolarHBondContact O-N 3.44Å
310Q41.4Very low58.3Low157 Ų157111.7 Ų111.773%0.73455%0.547SS*.  trans-59.796.5172.1-74.4-171.6-1500106.5Q308 E312Q308-Q310 VanDerWaalsContact C-N 3.26Å; Q308-Q310 PolarHBondContact O-N 3.44Å; Q310-E312 PolarHBondContact O-N 2.71Å
311N41.3Very low57Low124 Ų124119.1 Ų119.166%0.66358%0.581SS**  trans-66.289.7162.9-93.8-5.9000105.9K309 E313 N314K309-N311 PolarHBondContact O-N 3.44Å; N311-E313 PolarHBondContact O-N 2.72Å; N311-N314 PolarHBondContact O-N 2.94Å
312E44.6Very low56.1Low128 Ų128121 Ų12160%0.59859%0.59SS**G310 helixtrans-55.7-14.8174.5-78.9-122.3111.600112.6Q310 K315Q310-E312 PolarHBondContact O-N 2.71Å; E312-K315 IonicContact OE1-NZ 3.42Å; E312-K315 PolarHBondContact OE1-NZ 3.33Å
313E43.7Very low55.6Low188 Ų188123 Ų12388%0.87961%0.607SS**G310 helixtrans-78.1-16179.5-66.3-169.8155.800114.6N311N311-E313 PolarHBondContact O-N 2.72Å
314N42.7Very low55.6Low84 Ų84121.8 Ų121.845%0.44960%0.602SS.*G310 helixtrans-107.819.7-169.8-120.614.4000115.6N311 G316 Q319N311-N314 PolarHBondContact O-N 2.94Å; N314-G316 PolarHBondContact O-N 3.26Å; N314-Q319 PolarHBondContact ND2-OE1 3.06Å
315K36.7Very low55.9Low167 Ų167121.4 Ų121.473%0.72660%0.6SS**THydrogen-bonded Turntrans-63.36.3179.4-80.1174.7175.3161.70115.8E312E312-K315 IonicContact OE1-NZ 3.42Å; E312-K315 PolarHBondContact OE1-NZ 3.33Å
316G34.9Very low56.3Low74 Ų74117.6 Ų117.676%0.76358%0.582SS**THydrogen-bonded Turntrans-122.3-11.3-172.300000117.3N314N314-G316 PolarHBondContact O-N 3.26Å
317R40Very low57.2Low182 Ų182115.8 Ų115.869%0.68757%0.572SS**  trans-109.4124.8-179.8-77.9177.5173175.8-3.6109.6Q319R317-Q319 HydrophobicContact CB-CB 4.04Å; R317-Q319 HydrophobicContact CB-CG 4.26Å; R317-Q319 PolarHBondContact O-N 2.88Å
318K41.3Very low58.9Low223 Ų223110.9 Ų110.997%0.9754%0.54SS*.  trans-66.367.2158.1-73.8-178.8177.7178.70107.6
319Q43.6Very low60.9Low96 Ų96104.5 Ų104.545%0.44951%0.51SS..  trans-87.6133.2-176.9-130168.4-11.800107.3N314 R317 E321N314-Q319 PolarHBondContact ND2-OE1 3.06Å; R317-Q319 HydrophobicContact CB-CB 4.04Å; R317-Q319 HydrophobicContact CB-CG 4.26Å; R317-Q319 PolarHBondContact O-N 2.88Å; Q319-E321 VanDerWaalsContact C-N 3.32Å; Q319-E321 PolarHBondContact O-N 3.46Å
320M49.6Very low63.3Low160 Ų16096.4 Ų96.479%0.78848%0.475SS*.  trans-56.8102.5162.4-172.7166.783.600106.1Q322M320-Q322 VanDerWaalsContact C-N 3.29Å; M320-Q322 PolarHBondContact O-N 3.42Å
321E65.3Low65.9Low164 Ų16489 Ų8977%0.76644%0.441SS*.  trans-68.793.9175.3-70.5-176.3174.400106.9Q319Q319-E321 VanDerWaalsContact C-N 3.32Å; Q319-E321 PolarHBondContact O-N 3.46Å
322Q72Confident68.4Low86 Ų8684.8 Ų84.840%0.40242%0.42SS..  trans-89.8113.2175.4-173.71713.200108.1M320 V381M320-Q322 VanDerWaalsContact C-N 3.29Å; M320-Q322 PolarHBondContact O-N 3.42Å; Q322-V381 HydrophobicContact CB-CG1 4.26Å; Q322-V381 HydrophobicContact CG-CG1 4.2Å; Q322-V381 HydrophobicContact CG-CG2 4.4Å
323S81.5Confident70.7Confident74 Ų7480.1 Ų80.152%0.51740%0.4SS..  trans-111.2138.6173.7-57.50000110
324C87.3Confident72.6Confident21 Ų2173.6 Ų73.614%0.14237%0.369CS..PPolyproline II helixtrans-86.3124175.4-68.70000110.2A379 V381C324-A379 HydrophobicContact CB-CB 4.33Å; C324-A379 PolarHBondContact SG-O 2.95Å; C324-V381 WeakPolarHBondContact SG-CG2 3.39Å
325L90.6Very high74.1Confident47 Ų4774.8 Ų74.825%0.24638%0.383CS..PPolyproline II helixtrans-70.2144.5169.8-68.6177.6000110.1V264 R299 V300 L303V264-L325 HydrophobicContact CG1-CD1 3.77Å; R299-L325 HydrophobicContact CB-CB 4.3Å; R299-L325 HydrophobicContact CB-CD1 4.34Å; R299-L325 HydrophobicContact CB-CD2 4.35Å; R299-L325 WeakPolarHBondContact O-CD2 3.3Å; V300-L325 HydrophobicContact CG2-CD1 4.3Å; L303-L325 HydrophobicContact CB-CD2 3.8Å; L303-L325 HydrophobicContact CD2-CD2 3.65Å; L303-L325 HydrophobicContact CG-CD2 4.31Å
326P92.6Very high75.6Confident1 Ų173.5 Ų73.51%0.00639%0.39CS..PPolyproline II helixtrans-65.9141.7-178.629.2-36000110.7R299 M302 Q345 F346R299-P326 WeakPolarHBondContact CD-O 3.43Å; R299-P326 HydrophobicContact CG-CG 4.35Å; M302-P326 HydrophobicContact CB-CG 4.48Å; M302-P326 HydrophobicContact CE-CG 4.41Å; M302-P326 HydrophobicContact SD-CG 4.4Å; P326-Q345 CarbonylContact C-O 3.53Å; P326-Q345 WeakPolarHBondContact CA-O 3.31Å; P326-Q345 VanDerWaalsContact CB-O 3.28Å; P326-Q345 WeakPolarHBondContact CB-O 3.49Å; P326-F346 HydrophobicContact CB-CD1 3.94Å; P326-F346 HydrophobicContact CB-CD2 4.18Å; P326-F346 HydrophobicContact CB-CE1 4.12Å; P326-F346 HydrophobicContact CB-CE2 4.36Å; P326-F346 HydrophobicContact CB-CG 3.98Å; P326-F346 HydrophobicContact CB-CZ 4.34Å; P326-F346 HydrophobicContact CG-CD1 4.28Å; P326-F346 HydrophobicContact CG-CE1 3.96Å; P326-F346 HydrophobicContact CG-CE2 4.41Å; P326-F346 HydrophobicContact CG-CZ 4.04Å
327R92.8Very high77.7Confident45 Ų4571 Ų7117%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-82.8150.117867.8165.8179.6178.7-2.9110.5V329 Y344 Q345 A373 E376 I378R327-V329 HydrophobicContact CG-CG2 4.47Å; R327-Y344 CarbonylContact O-C 3.52Å; R327-Y344 WeakPolarHBondContact O-CA 3.31Å; R327-Q345 HydrophobicContact CG-CB 4.08Å; R327-Q345 PolarHBondContact N-O 3.17Å; R327-Q345 PolarHBondContact O-N 3.42Å; R327-A373 PolarHBondContact NH1-O 2.87Å; R327-E376 HydrophobicContact CB-CB 4.35Å; R327-I378 HydrophobicContact CG-CG1 4.29Å
328R95.7Very high79.9Confident2 Ų262.8 Ų62.81%0.00833%0.334CS..EExtended strand (participates in β ladder)trans-89.7127.9179.7-171.3-179.9-165.3-170.78.4110.6D291 T295 F330 C342 Y344 E376D291-R328 IonicContact OD1-CZ 2.71Å; D291-R328 IonicContact OD1-NH1 3.23Å; D291-R328 PolarHBondContact OD1-NH1 2.83Å; D291-R328 IonicContact OD1-NH2 3.93Å; D291-R328 PolarHBondContact OD1-NH2 3.47Å; D291-R328 IonicContact OD2-CZ 3.67Å; D291-R328 IonicContact OD2-NH1 3.47Å; D291-R328 PolarHBondContact OD2-NH1 3.15Å; D291-R328 IonicContact OD2-NH2 2.65Å; T295-R328 PolarHBondContact OG1-NH1 2.8Å; R328-F330 HydrophobicContact CG-CE2 4.29Å; R328-F330 HydrophobicContact CG-CZ 4.24Å; R328-C342 HydrophobicContact CG-CB 3.81Å; R328-C342 PolarHBondContact NE-SG 3.49Å; R328-C342 PolarHBondContact NH2-SG 3.48Å; R328-Y344 HydrophobicContact CB-CD1 4.06Å; R328-Y344 HydrophobicContact CB-CE1 3.92Å; R328-Y344 HydrophobicContact CG-CD1 4.37Å; R328-Y344 HydrophobicContact CG-CE1 3.96Å; R328-E376 PolarHBondContact N-OE2 2.76Å
329V96.1Very high82.4Confident0 Ų052.3 Ų52.30%029%0.289CS..EExtended strand (participates in β ladder)trans-116.2136.5177.6-179.60000108.5R327 C342 D343 Q345 M354 L371 A373R327-V329 HydrophobicContact CG-CG2 4.47Å; V329-C342 CarbonylContact O-C 3.58Å; V329-C342 WeakPolarHBondContact O-CA 3.41Å; V329-C342 WeakPolarHBondContact O-CB 3.32Å; V329-D343 PolarHBondContact N-O 2.85Å; V329-D343 PolarHBondContact O-N 3.4Å; V329-Q345 HydrophobicContact CG2-CB 4.01Å; V329-M354 HydrophobicContact CB-CE 3.81Å; V329-M354 HydrophobicContact CG2-CE 4.04Å; V329-L371 HydrophobicContact CG1-CB 3.94Å; V329-A373 HydrophobicContact CG1-CB 4.13Å; V329-A373 HydrophobicContact CG2-CB 4.06Å
330F96.3Very high84.9Confident2 Ų247.9 Ų47.91%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-102.3138.9-179.9-67.5-87.2000111.5P77 H269 R271 R328 S340 V341 C342 D372 C375P77-F330 HydrophobicContact CB-CE1 4.43Å; P77-F330 HydrophobicContact CG-CD1 4.26Å; P77-F330 HydrophobicContact CG-CE1 3.86Å; H269-F330 AromaticContact CD2-CE2 3.96Å; R271-F330 HydrophobicContact CB-CE1 4.03Å; R271-F330 HydrophobicContact CB-CZ 4.08Å; R328-F330 HydrophobicContact CG-CE2 4.29Å; R328-F330 HydrophobicContact CG-CZ 4.24Å; F330-S340 WeakPolarHBondContact CD1-OG 3.35Å; F330-V341 CarbonylContact C-O 3.54Å; F330-V341 WeakPolarHBondContact CA-O 3.36Å; F330-C342 HydrophobicContact CD1-CB 3.84Å; F330-C342 HydrophobicContact CE1-CB 3.97Å; F330-C342 HydrophobicContact CG-CB 4.47Å; F330-D372 HydrophobicContact CB-CB 4.29Å; F330-D372 PolarHBondContact N-O 2.75Å; F330-D372 PolarHBondContact O-N 2.92Å; F330-C375 HydrophobicContact CD2-CB 4.49Å; F330-C375 HydrophobicContact CE2-CB 4.39Å
331C95.9Very high87.1Confident2 Ų240.2 Ų40.21%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-118.8125.6171.4-177.50000109.5S340 V341 F358 L371C331-S340 CarbonylContact O-C 3.54Å; C331-S340 WeakPolarHBondContact O-CA 3.48Å; C331-S340 WeakPolarHBondContact O-CB 3.2Å; C331-V341 HydrophobicContact CB-CG2 4.1Å; C331-V341 PolarHBondContact N-O 2.98Å; C331-V341 WeakPolarHBondContact O-CG2 3.48Å; C331-V341 PolarHBondContact O-N 3.38Å; C331-F358 HydrophobicContact CB-CD1 4.25Å; C331-F358 HydrophobicContact CB-CD2 4.06Å; C331-F358 HydrophobicContact CB-CE1 3.83Å; C331-F358 HydrophobicContact CB-CE2 3.64Å; C331-F358 HydrophobicContact CB-CG 4.37Å; C331-F358 HydrophobicContact CB-CZ 3.51Å; C331-L371 HydrophobicContact CB-CD2 3.7Å
332P94.2Very high88.7Confident35 Ų3532.4 Ų32.423%0.22719%0.194CC..EExtended strand (participates in β ladder)trans-62.9138.4176.327-33.2000111K334 M364 D370P332-K334 VanDerWaalsContact C-N 3.32Å; P332-M364 WeakPolarHBondContact O-CE 3.24Å; P332-D370 WeakPolarHBondContact CD-O 3.41Å; P332-D370 HydrophobicContact CG-CB 4.31Å
333V91.6Very high89.9Confident29 Ų2928.9 Ų28.918%0.17618%0.178CC..SBendtrans-69.3-36175.5176.70000110.8M43 L339 V341M43-V333 HydrophobicContact SD-CG1 4.05Å; M43-V333 HydrophobicContact SD-CG2 4.46Å; V333-L339 HydrophobicContact CB-CB 4.19Å; V333-L339 HydrophobicContact CG2-CB 4.03Å; V333-L339 PolarHBondContact N-O 2.97Å; V333-V341 HydrophobicContact CG2-CG1 4.02Å
334K84.6Confident90.5Very high52 Ų5225.6 Ų25.623%0.22615%0.154CC..SBendtrans-136.1142.8171.7-56.7-169.5-170.5-168.40108.1E8 D10 P332 T336 G337E8-K334 IonicContact OE2-NZ 4Å; D10-K334 IonicContact OD1-NZ 2.77Å; D10-K334 PolarHBondContact OD1-NZ 2.81Å; D10-K334 WeakPolarHBondContact OD2-CE 3.41Å; D10-K334 IonicContact OD2-NZ 3.89Å; D10-K334 PolarHBondContact OD2-NZ 2.86Å; P332-K334 VanDerWaalsContact C-N 3.32Å; K334-T336 PolarHBondContact O-N 3.41Å; K334-G337 PolarHBondContact O-N 3.28Å
335S73.1Confident90.8Very high109 Ų10925 Ų2576%0.76215%0.149SC*.THydrogen-bonded Turntrans-52.2-29.6-178.556.60000114.7
336T69.3Low90.8Very high140 Ų14024.1 Ų24.186%0.85914%0.143SC*.THydrogen-bonded Turntrans-113.68.6-178.252.50000113.8K334K334-T336 PolarHBondContact O-N 3.41Å
337G78.8Confident90.6Very high20 Ų2027.9 Ų27.921%0.20617%0.17CC..  trans-94.9157.3-17600000114.2K334 L339K334-G337 PolarHBondContact O-N 3.28Å; G337-L339 VanDerWaalsContact C-N 3.33Å
338P86.3Confident90.3Very high11 Ų1131.2 Ų31.27%0.07119%0.191CC..SBendtrans-73.3-26.1173.530.2-34.8000112.9C165 W168 R235 F273C165-P338 WeakPolarHBondContact O-CD 3.3Å; C165-P338 WeakPolarHBondContact O-CG 3.46Å; W168-P338 HydrophobicContact CB-CB 4.37Å; W168-P338 HydrophobicContact CB-CG 3.82Å; W168-P338 HydrophobicContact CG-CG 4.43Å; R235-P338 HydrophobicContact CG-CB 4.39Å; F273-P338 WeakPolarHBondContact CE1-O 3.26Å
339L93.4Very high90Very high3 Ų333.1 Ų33.12%0.01620%0.2CC..  trans-75.2136.9-174.5-64.5179.9000112V42 L80 C165 W168 F273 V333 G337V42-L339 HydrophobicContact CB-CD1 3.91Å; V42-L339 HydrophobicContact CG1-CD1 3.83Å; V42-L339 HydrophobicContact CG2-CD1 4.14Å; L80-L339 HydrophobicContact CD2-CD2 4.42Å; C165-L339 HydrophobicContact CB-CD1 4.05Å; W168-L339 HydrophobicContact CB-CD2 4.17Å; W168-L339 HydrophobicContact CD2-CD1 4.35Å; W168-L339 HydrophobicContact CD2-CD2 3.56Å; W168-L339 HydrophobicContact CD2-CG 4.27Å; W168-L339 HydrophobicContact CE3-CD2 3.73Å; W168-L339 HydrophobicContact CG-CD2 3.76Å; W168-L339 HydrophobicContact CG-CG 4.19Å; W168-L339 HydrophobicContact CZ2-CD1 4.31Å; W168-L339 HydrophobicContact CZ3-CD2 4.24Å; F273-L339 HydrophobicContact CB-CD2 3.81Å; F273-L339 HydrophobicContact CD1-CD2 3.71Å; F273-L339 HydrophobicContact CD2-CD2 4.23Å; F273-L339 HydrophobicContact CE1-CD2 4.36Å; F273-L339 HydrophobicContact CG-CD2 3.64Å; V333-L339 HydrophobicContact CB-CB 4.19Å; V333-L339 HydrophobicContact CG2-CB 4.03Å; V333-L339 PolarHBondContact N-O 2.97Å; G337-L339 VanDerWaalsContact C-N 3.33Å
340S95.2Very high89.8Confident2 Ų234.7 Ų34.71%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-136.6146.3169.964.50000110P77 R271 F273 F330 C331P77-S340 WeakPolarHBondContact CG-O 3.28Å; R271-S340 PolarHBondContact NH1-OG 3.45Å; F273-S340 WeakPolarHBondContact CE2-O 3.03Å; F273-S340 VanDerWaalsContact CZ-N 3.32Å; F273-S340 WeakPolarHBondContact CZ-OG 3.47Å; F330-S340 WeakPolarHBondContact CD1-OG 3.35Å; C331-S340 CarbonylContact O-C 3.54Å; C331-S340 WeakPolarHBondContact O-CA 3.48Å; C331-S340 WeakPolarHBondContact O-CB 3.2Å
341V97.2Very high89.7Confident0 Ų036.7 Ų36.70%023%0.226CC..EExtended strand (participates in β ladder)trans-91.4175161.9-68.70000109.1M43 L76 F330 C331 V333 F358 L362 M364M43-V341 HydrophobicContact CE-CG1 3.95Å; L76-V341 HydrophobicContact CD2-CG1 4.03Å; F330-V341 CarbonylContact C-O 3.54Å; F330-V341 WeakPolarHBondContact CA-O 3.36Å; C331-V341 HydrophobicContact CB-CG2 4.1Å; C331-V341 PolarHBondContact N-O 2.98Å; C331-V341 WeakPolarHBondContact O-CG2 3.48Å; C331-V341 PolarHBondContact O-N 3.38Å; V333-V341 HydrophobicContact CG2-CG1 4.02Å; V341-F358 HydrophobicContact CG2-CD1 4.09Å; V341-F358 HydrophobicContact CG2-CE1 3.76Å; V341-L362 HydrophobicContact CB-CD1 3.87Å; V341-L362 HydrophobicContact CG1-CD1 3.95Å; V341-L362 HydrophobicContact CG2-CD1 3.61Å; V341-M364 HydrophobicContact CG2-CE 4.21Å; V341-M364 HydrophobicContact CG2-SD 3.95Å
342C97.3Very high89.6Confident0 Ų039.1 Ų39.10%024%0.243CC..EExtended strand (participates in β ladder)trans-135.1163.8174.862.40000111.6M75 P77 R328 V329 F330M75-C342 CarbonylContact C-O 3.59Å; M75-C342 VanDerWaalsContact C-SG 3.59Å; M75-C342 WeakPolarHBondContact CA-O 3.29Å; M75-C342 WeakPolarHBondContact CB-O 3.42Å; M75-C342 WeakPolarHBondContact CG-O 3.32Å; M75-C342 PolarHBondContact O-N 3.38Å; M75-C342 PolarHBondContact O-SG 2.92Å; P77-C342 HydrophobicContact CG-CB 4.34Å; R328-C342 HydrophobicContact CG-CB 3.81Å; R328-C342 PolarHBondContact NE-SG 3.49Å; R328-C342 PolarHBondContact NH2-SG 3.48Å; V329-C342 CarbonylContact O-C 3.58Å; V329-C342 WeakPolarHBondContact O-CA 3.41Å; V329-C342 WeakPolarHBondContact O-CB 3.32Å; F330-C342 HydrophobicContact CD1-CB 3.84Å; F330-C342 HydrophobicContact CE1-CB 3.97Å; F330-C342 HydrophobicContact CG-CB 4.47Å
343D97Very high89.7Confident12 Ų1241.2 Ų41.26%0.06425%0.25CC..EExtended strand (participates in β ladder)trans-143.8168.5164.5-173.725.9000108.7M75 V329 M354 R357 F358M75-D343 HydrophobicContact CE-CB 3.91Å; V329-D343 PolarHBondContact N-O 2.85Å; V329-D343 PolarHBondContact O-N 3.4Å; D343-M354 HydrophobicContact CB-CE 3.48Å; D343-M354 VanDerWaalsContact CB-CE 3.48Å; D343-M354 WeakPolarHBondContact OD2-CE 3.45Å; D343-R357 IonicContact OD2-CZ 3.88Å; D343-R357 IonicContact OD2-NE 3.94Å; D343-R357 PolarHBondContact OD2-NE 2.78Å; D343-R357 IonicContact OD2-NH2 3.45Å; D343-R357 PolarHBondContact OD2-NH2 2.94Å; D343-F358 HydrophobicContact CB-CE1 3.81Å; D343-F358 HydrophobicContact CB-CE2 4.14Å; D343-F358 HydrophobicContact CB-CZ 3.5Å
344Y95.5Very high89.8Confident4 Ų439.8 Ų39.82%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-111.9120.8-176.2-61.4-88.3000109.9R74 T295 T298 R299 M302 R327 R328 R357R74-Y344 WeakPolarHBondContact O-CE2 3.42Å; T295-Y344 HydrophobicContact CG2-CE1 4.19Å; T298-Y344 HydrophobicContact CG2-CD2 3.92Å; T298-Y344 HydrophobicContact CG2-CE2 3.48Å; T298-Y344 VanDerWaalsContact CG2-CE2 3.48Å; R299-Y344 HydrophobicContact CG-CD1 3.66Å; R299-Y344 HydrophobicContact CG-CE1 3.7Å; M302-Y344 HydrophobicContact SD-CD2 3.8Å; M302-Y344 HydrophobicContact SD-CG 3.89Å; R327-Y344 CarbonylContact O-C 3.52Å; R327-Y344 WeakPolarHBondContact O-CA 3.31Å; R328-Y344 HydrophobicContact CB-CD1 4.06Å; R328-Y344 HydrophobicContact CB-CE1 3.92Å; R328-Y344 HydrophobicContact CG-CD1 4.37Å; R328-Y344 HydrophobicContact CG-CE1 3.96Å; Y344-R357 PolarHBondContact O-NH2 2.77Å
345Q93.9Very high90.3Very high8 Ų838.3 Ų38.34%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-99.5122-177.6-170.6-175.315.600110P326 R327 V329 E349 G350 M354P326-Q345 CarbonylContact C-O 3.53Å; P326-Q345 WeakPolarHBondContact CA-O 3.31Å; P326-Q345 VanDerWaalsContact CB-O 3.28Å; P326-Q345 WeakPolarHBondContact CB-O 3.49Å; R327-Q345 HydrophobicContact CG-CB 4.08Å; R327-Q345 PolarHBondContact N-O 3.17Å; R327-Q345 PolarHBondContact O-N 3.42Å; V329-Q345 HydrophobicContact CG2-CB 4.01Å; Q345-E349 HydrophobicContact CG-CB 4.02Å; Q345-E349 PolarHBondContact NE2-O 3.31Å; Q345-G350 PolarHBondContact NE2-O 3.49Å; Q345-M354 HydrophobicContact CB-CE 3.88Å; Q345-M354 HydrophobicContact CB-CG 4.4Å; Q345-M354 HydrophobicContact CB-SD 3.6Å; Q345-M354 HydrophobicContact CG-CG 4.24Å; Q345-M354 HydrophobicContact CG-SD 3.9Å
346F90.8Very high91.4Very high29 Ų2938.2 Ų38.213%0.12723%0.228CC..  trans-74.8165.3169.9-71.7-87.8000111.7M302 P326 D348 E349M302-F346 HydrophobicContact CB-CZ 4.05Å; M302-F346 HydrophobicContact CE-CE2 3.63Å; M302-F346 HydrophobicContact CE-CZ 4.06Å; P326-F346 HydrophobicContact CB-CD1 3.94Å; P326-F346 HydrophobicContact CB-CD2 4.18Å; P326-F346 HydrophobicContact CB-CE1 4.12Å; P326-F346 HydrophobicContact CB-CE2 4.36Å; P326-F346 HydrophobicContact CB-CG 3.98Å; P326-F346 HydrophobicContact CB-CZ 4.34Å; P326-F346 HydrophobicContact CG-CD1 4.28Å; P326-F346 HydrophobicContact CG-CE1 3.96Å; P326-F346 HydrophobicContact CG-CE2 4.41Å; P326-F346 HydrophobicContact CG-CZ 4.04Å; F346-D348 VanDerWaalsContact CB-OD1 3.23Å; F346-D348 WeakPolarHBondContact CB-OD1 3.19Å; F346-D348 PolarHBondContact O-N 2.63Å; F346-E349 HydrophobicContact CB-CG 4.08Å; F346-E349 PolarHBondContact N-OE2 2.77Å; F346-E349 PolarHBondContact O-N 2.88Å
347S87.1Confident92.7Very high80 Ų8034 Ų3456%0.55920%0.196SC*.THydrogen-bonded Turntrans-68-23.5-176.948.10000114.1
348D86.7Confident93.6Very high115 Ų11533 Ų3362%0.61519%0.186SC*.THydrogen-bonded Turntrans-91.2-2.3178.560.7-35.7000113.5F346F346-D348 VanDerWaalsContact CB-OD1 3.23Å; F346-D348 WeakPolarHBondContact CB-OD1 3.19Å; F346-D348 PolarHBondContact O-N 2.63Å
349E90.6Very high94Very high43 Ų4335.8 Ų35.820%0.20120%0.197CC..  trans-99.7140.3179.9-63.4179.6143.800112.2Q345 F346 E353 R357Q345-E349 HydrophobicContact CG-CB 4.02Å; Q345-E349 PolarHBondContact NE2-O 3.31Å; F346-E349 HydrophobicContact CB-CG 4.08Å; F346-E349 PolarHBondContact N-OE2 2.77Å; F346-E349 PolarHBondContact O-N 2.88Å; E349-E353 WeakPolarHBondContact CA-OE2 3.23Å; E349-E353 WeakPolarHBondContact CB-OE2 3.39Å; E349-R357 VanDerWaalsContact CD-NH1 3.28Å; E349-R357 IonicContact OE1-CZ 2.86Å; E349-R357 IonicContact OE1-NH1 2.78Å; E349-R357 PolarHBondContact OE1-NH1 2.84Å; E349-R357 IonicContact OE1-NH2 3.41Å; E349-R357 PolarHBondContact OE1-NH2 3.42Å; E349-R357 IonicContact OE2-CZ 3.35Å; E349-R357 IonicContact OE2-NH1 3.75Å; E349-R357 PolarHBondContact OE2-NH1 3.27Å; E349-R357 IonicContact OE2-NH2 3.34Å; E349-R357 PolarHBondContact OE2-NH2 3.39Å
350G91.4Very high94.2Very high32 Ų3241 Ų4133%0.3322%0.221SC..  trans-87177.9164.600000113.8Q345 S352 E353Q345-G350 PolarHBondContact NE2-O 3.49Å; G350-S352 VanDerWaalsContact C-N 3.3Å; G350-E353 WeakPolarHBondContact CA-OE2 3.49Å; G350-E353 PolarHBondContact N-OE2 3.28Å
351L93.1Very high94.2Very high45 Ų4542.7 Ų42.724%0.23623%0.23CC..Hα-helixtrans-72.4-24.3177.7-67.4-178.6000112.7M354 T355 E368 L371 A373L351-M354 VanDerWaalsContact O-CB 3.31Å; L351-M354 WeakPolarHBondContact O-CB 3.48Å; L351-M354 PolarHBondContact O-N 2.92Å; L351-T355 PolarHBondContact O-N 3.35Å; L351-E368 HydrophobicContact CB-CB 4.17Å; L351-E368 HydrophobicContact CB-CG 3.87Å; L351-E368 HydrophobicContact CD1-CB 4.44Å; L351-L371 HydrophobicContact CB-CD1 4.1Å; L351-L371 HydrophobicContact CD2-CD1 4.02Å; L351-A373 HydrophobicContact CD2-CB 4.41Å
352S94.5Very high94.2Very high52 Ų5242.9 Ų42.936%0.36423%0.23SC..Hα-helixtrans-61.7-44.4176.956.10000112.2G350 M354 T355 D356 E368G350-S352 VanDerWaalsContact C-N 3.3Å; S352-M354 PolarHBondContact O-N 2.81Å; S352-T355 PolarHBondContact O-N 3.22Å; S352-T355 VanDerWaalsContact O-N 3.08Å; S352-T355 PolarHBondContact O-OG1 3.31Å; S352-D356 PolarHBondContact O-N 3.4Å; S352-E368 WeakPolarHBondContact CA-OE1 3.21Å; S352-E368 WeakPolarHBondContact CB-OE1 3.43Å; S352-E368 PolarHBondContact N-OE1 3.33Å
353E95.6Very high94.1Very high79 Ų7944 Ų4437%0.36924%0.236SC..Hα-helixtrans-64.8-32.7178.1-66.3126167.300111.4E349 G350 D356 R357E349-E353 WeakPolarHBondContact CA-OE2 3.23Å; E349-E353 WeakPolarHBondContact CB-OE2 3.39Å; G350-E353 WeakPolarHBondContact CA-OE2 3.49Å; G350-E353 PolarHBondContact N-OE2 3.28Å; E353-D356 PolarHBondContact O-N 3.21Å; E353-R357 WeakPolarHBondContact O-CG 3.28Å; E353-R357 PolarHBondContact O-N 3.42Å
354M94.1Very high94Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-63.2-44.8172.6-55-67.6-72.500111.1V329 D343 Q345 L351 S352 D356 R357 F358 L371V329-M354 HydrophobicContact CB-CE 3.81Å; V329-M354 HydrophobicContact CG2-CE 4.04Å; D343-M354 HydrophobicContact CB-CE 3.48Å; D343-M354 VanDerWaalsContact CB-CE 3.48Å; D343-M354 WeakPolarHBondContact OD2-CE 3.45Å; Q345-M354 HydrophobicContact CB-CE 3.88Å; Q345-M354 HydrophobicContact CB-CG 4.4Å; Q345-M354 HydrophobicContact CB-SD 3.6Å; Q345-M354 HydrophobicContact CG-CG 4.24Å; Q345-M354 HydrophobicContact CG-SD 3.9Å; L351-M354 VanDerWaalsContact O-CB 3.31Å; L351-M354 WeakPolarHBondContact O-CB 3.48Å; L351-M354 PolarHBondContact O-N 2.92Å; S352-M354 PolarHBondContact O-N 2.81Å; M354-D356 VanDerWaalsContact C-N 3.3Å; M354-D356 PolarHBondContact O-N 2.92Å; M354-R357 PolarHBondContact O-N 2.84Å; M354-R357 PolarHBondContact SD-NH2 3.26Å; M354-F358 HydrophobicContact CB-CE2 4.34Å; M354-F358 WeakPolarHBondContact O-CD2 3.26Å; M354-F358 PolarHBondContact O-N 2.91Å; M354-L371 HydrophobicContact CB-CD1 3.9Å
355T96.4Very high93.8Very high21 Ų2150.7 Ų50.713%0.12927%0.272CS..Hα-helixtrans-62.8-38.8177.358.70000111.9L351 S352 F358 K359 A366 E368 L371L351-T355 PolarHBondContact O-N 3.35Å; S352-T355 PolarHBondContact O-N 3.22Å; S352-T355 VanDerWaalsContact O-N 3.08Å; S352-T355 PolarHBondContact O-OG1 3.31Å; T355-F358 PolarHBondContact O-N 3.08Å; T355-K359 WeakPolarHBondContact O-CB 3.21Å; T355-K359 PolarHBondContact O-N 3.16Å; T355-A366 WeakPolarHBondContact CG2-O 3.48Å; T355-E368 HydrophobicContact CG2-CG 4.2Å; T355-L371 HydrophobicContact CG2-CD1 3.92Å; T355-L371 HydrophobicContact CG2-CG 4.46Å
356D96.3Very high93.8Very high106 Ų10651.2 Ų51.257%0.56728%0.278SS*.Hα-helixtrans-63.5-43.1174.8-70.3-26.2000111.1S352 E353 M354 K359 E360S352-D356 PolarHBondContact O-N 3.4Å; E353-D356 PolarHBondContact O-N 3.21Å; M354-D356 VanDerWaalsContact C-N 3.3Å; M354-D356 PolarHBondContact O-N 2.92Å; D356-K359 CarbonylContact O-C 3.55Å; D356-K359 WeakPolarHBondContact O-CB 3.48Å; D356-K359 PolarHBondContact O-N 3.08Å; D356-E360 WeakPolarHBondContact O-CB 3.17Å; D356-E360 PolarHBondContact O-N 3.04Å
357R95.9Very high93.9Very high51 Ų5151.6 Ų51.619%0.19229%0.286CS..Hα-helixtrans-66.9-39.7176.4-73.6-165.1-62.5-104.725.7113.5D343 Y344 E349 E353 M354 K359 E360 M361D343-R357 IonicContact OD2-CZ 3.88Å; D343-R357 IonicContact OD2-NE 3.94Å; D343-R357 PolarHBondContact OD2-NE 2.78Å; D343-R357 IonicContact OD2-NH2 3.45Å; D343-R357 PolarHBondContact OD2-NH2 2.94Å; Y344-R357 PolarHBondContact O-NH2 2.77Å; E349-R357 VanDerWaalsContact CD-NH1 3.28Å; E349-R357 IonicContact OE1-CZ 2.86Å; E349-R357 IonicContact OE1-NH1 2.78Å; E349-R357 PolarHBondContact OE1-NH1 2.84Å; E349-R357 IonicContact OE1-NH2 3.41Å; E349-R357 PolarHBondContact OE1-NH2 3.42Å; E349-R357 IonicContact OE2-CZ 3.35Å; E349-R357 IonicContact OE2-NH1 3.75Å; E349-R357 PolarHBondContact OE2-NH1 3.27Å; E349-R357 IonicContact OE2-NH2 3.34Å; E349-R357 PolarHBondContact OE2-NH2 3.39Å; E353-R357 WeakPolarHBondContact O-CG 3.28Å; E353-R357 PolarHBondContact O-N 3.42Å; M354-R357 PolarHBondContact O-N 2.84Å; M354-R357 PolarHBondContact SD-NH2 3.26Å; R357-K359 PolarHBondContact O-N 3.19Å; R357-E360 PolarHBondContact O-N 3.13Å; R357-M361 WeakPolarHBondContact O-CB 3.23Å; R357-M361 PolarHBondContact O-N 3.39Å
358F96.9Very high94.2Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-61.1-37.8171.8-75.6-57.8000111.3M75 C331 V341 D343 M354 T355 L362 D363 M364 L371M75-F358 HydrophobicContact CE-CD1 3.46Å; M75-F358 VanDerWaalsContact CE-CD1 3.46Å; M75-F358 HydrophobicContact CE-CE1 3.59Å; M75-F358 HydrophobicContact CE-CG 4.38Å; C331-F358 HydrophobicContact CB-CD1 4.25Å; C331-F358 HydrophobicContact CB-CD2 4.06Å; C331-F358 HydrophobicContact CB-CE1 3.83Å; C331-F358 HydrophobicContact CB-CE2 3.64Å; C331-F358 HydrophobicContact CB-CG 4.37Å; C331-F358 HydrophobicContact CB-CZ 3.51Å; V341-F358 HydrophobicContact CG2-CD1 4.09Å; V341-F358 HydrophobicContact CG2-CE1 3.76Å; D343-F358 HydrophobicContact CB-CE1 3.81Å; D343-F358 HydrophobicContact CB-CE2 4.14Å; D343-F358 HydrophobicContact CB-CZ 3.5Å; M354-F358 HydrophobicContact CB-CE2 4.34Å; M354-F358 WeakPolarHBondContact O-CD2 3.26Å; M354-F358 PolarHBondContact O-N 2.91Å; T355-F358 PolarHBondContact O-N 3.08Å; F358-L362 HydrophobicContact CD1-CD1 3.97Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CA 3.46Å; F358-L362 WeakPolarHBondContact O-CB 3.23Å; F358-L362 PolarHBondContact O-N 3.06Å; F358-D363 PolarHBondContact O-N 3.07Å; F358-M364 PolarHBondContact O-N 2.85Å; F358-L371 HydrophobicContact CD2-CD2 3.95Å; F358-L371 HydrophobicContact CE2-CD2 3.6Å
359K96.3Very high94.5Very high70 Ų7055.2 Ų55.230%0.30429%0.291SS..Hα-helixtrans-69.1-42.5176.1-176.855.9176.9177.70112.4T355 D356 R357 D363 M364 D365T355-K359 WeakPolarHBondContact O-CB 3.21Å; T355-K359 PolarHBondContact O-N 3.16Å; D356-K359 CarbonylContact O-C 3.55Å; D356-K359 WeakPolarHBondContact O-CB 3.48Å; D356-K359 PolarHBondContact O-N 3.08Å; R357-K359 PolarHBondContact O-N 3.19Å; K359-D363 IonicContact NZ-OD1 3.36Å; K359-D363 PolarHBondContact NZ-OD1 3.38Å; K359-D363 WeakPolarHBondContact O-CA 3.31Å; K359-D363 PolarHBondContact O-N 3.5Å; K359-M364 WeakPolarHBondContact CA-O 3.42Å; K359-M364 PolarHBondContact N-O 2.84Å; K359-D365 WeakPolarHBondContact CD-OD1 3.42Å; K359-D365 WeakPolarHBondContact CE-OD1 3.46Å; K359-D365 VanDerWaalsContact NZ-CG 3.34Å; K359-D365 IonicContact NZ-OD1 3.59Å; K359-D365 PolarHBondContact NZ-OD1 3.3Å; K359-D365 IonicContact NZ-OD2 2.69Å; K359-D365 PolarHBondContact NZ-OD2 2.86Å
360E95.8Very high94.5Very high112 Ų11256.6 Ų56.652%0.52330%0.299SS..Hα-helixtrans-68-54.6179.8-173.3178.3-175.900111.3P48 D356 R357P48-E360 HydrophobicContact CG-CG 4.22Å; P48-E360 WeakPolarHBondContact CG-O 3.41Å; D356-E360 WeakPolarHBondContact O-CB 3.17Å; D356-E360 PolarHBondContact O-N 3.04Å; R357-E360 PolarHBondContact O-N 3.13Å
361M96.8Very high94.6Very high38 Ų3855.9 Ų55.919%0.18729%0.288CS..Hα-helixtrans-80.6-35.2-171.8-66.6-64.9-165.600113.8T45 H68 Q71 V72 M75 R357T45-M361 PolarHBondContact OG1-O 3.25Å; H68-M361 PolarHBondContact NE2-O 3.28Å; Q71-M361 HydrophobicContact CB-CE 3.49Å; Q71-M361 VanDerWaalsContact CB-CE 3.49Å; Q71-M361 HydrophobicContact CB-SD 3.92Å; Q71-M361 HydrophobicContact CG-CE 3.64Å; V72-M361 HydrophobicContact CG2-CB 4.3Å; M75-M361 HydrophobicContact CE-CB 4.25Å; M75-M361 HydrophobicContact SD-CB 3.57Å; M75-M361 VanDerWaalsContact SD-CB 3.57Å; M75-M361 HydrophobicContact SD-CG 4Å; R357-M361 WeakPolarHBondContact O-CB 3.23Å; R357-M361 PolarHBondContact O-N 3.39Å
362L96.9Very high94.6Very high3 Ų355.9 Ų55.92%0.01629%0.288CS..Hα-helixtrans-113.4-2.9-173.5-57.9179.3000113.5I31 M43 T45 V72 M75 V341 F358 M364I31-L362 HydrophobicContact CD1-CD2 4.22Å; M43-L362 HydrophobicContact CE-CD1 4.27Å; M43-L362 HydrophobicContact CE-CD2 3.93Å; M43-L362 HydrophobicContact CE-CG 4.5Å; T45-L362 HydrophobicContact CG2-CD2 4.36Å; T45-L362 VanDerWaalsContact OG1-CA 3.31Å; T45-L362 WeakPolarHBondContact OG1-CA 3.26Å; T45-L362 PolarHBondContact OG1-O 3.11Å; V72-L362 HydrophobicContact CB-CD2 4.37Å; V72-L362 HydrophobicContact CG1-CD2 3.83Å; V72-L362 HydrophobicContact CG2-CD2 3.8Å; M75-L362 HydrophobicContact CE-CD1 3.96Å; M75-L362 HydrophobicContact CE-CG 4.2Å; M75-L362 HydrophobicContact SD-CD1 4.27Å; M75-L362 HydrophobicContact SD-CD2 4.44Å; M75-L362 HydrophobicContact SD-CG 4.13Å; V341-L362 HydrophobicContact CB-CD1 3.87Å; V341-L362 HydrophobicContact CG1-CD1 3.95Å; V341-L362 HydrophobicContact CG2-CD1 3.61Å; F358-L362 HydrophobicContact CD1-CD1 3.97Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CA 3.46Å; F358-L362 WeakPolarHBondContact O-CB 3.23Å; F358-L362 PolarHBondContact O-N 3.06Å; L362-M364 HydrophobicContact CB-CB 4.27Å; L362-M364 HydrophobicContact CB-CG 3.77Å; L362-M364 HydrophobicContact CB-SD 3.88Å; L362-M364 HydrophobicContact CD1-SD 3.93Å; L362-M364 PolarHBondContact O-N 2.98Å
363D95.5Very high94.4Very high24 Ų2454.3 Ų54.313%0.12828%0.278CS..  trans5231.4-171.1-159.514.5000112.5Y14 R46 F358 K359Y14-D363 HydrophobicContact CE2-CB 4.31Å; Y14-D363 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D363 WeakPolarHBondContact CE2-OD2 3.46Å; Y14-D363 WeakPolarHBondContact OH-CB 3.15Å; Y14-D363 PolarHBondContact OH-OD2 3.27Å; R46-D363 WeakPolarHBondContact CD-OD2 3.43Å; R46-D363 HydrophobicContact CG-CB 4.34Å; R46-D363 IonicContact CZ-OD2 3.11Å; R46-D363 IonicContact NE-OD1 3.47Å; R46-D363 IonicContact NE-OD2 2.77Å; R46-D363 PolarHBondContact NE-OD2 2.74Å; R46-D363 IonicContact NH2-OD1 3.56Å; F358-D363 PolarHBondContact O-N 3.07Å; K359-D363 IonicContact NZ-OD1 3.36Å; K359-D363 PolarHBondContact NZ-OD1 3.38Å; K359-D363 WeakPolarHBondContact O-CA 3.31Å; K359-D363 PolarHBondContact O-N 3.5Å
364M94.1Very high94.1Very high26 Ų2656.5 Ų56.513%0.12830%0.297CS..  trans-95.9124179.9-72.6-178.660.200110.3M43 P332 V341 F358 K359 L362 A366M43-M364 HydrophobicContact CE-SD 4.44Å; M43-M364 HydrophobicContact SD-CG 4.32Å; M43-M364 HydrophobicContact SD-SD 3.65Å; M43-M364 VanDerWaalsContact SD-SD 3.65Å; P332-M364 WeakPolarHBondContact O-CE 3.24Å; V341-M364 HydrophobicContact CG2-CE 4.21Å; V341-M364 HydrophobicContact CG2-SD 3.95Å; F358-M364 PolarHBondContact O-N 2.85Å; K359-M364 WeakPolarHBondContact CA-O 3.42Å; K359-M364 PolarHBondContact N-O 2.84Å; L362-M364 HydrophobicContact CB-CB 4.27Å; L362-M364 HydrophobicContact CB-CG 3.77Å; L362-M364 HydrophobicContact CB-SD 3.88Å; L362-M364 HydrophobicContact CD1-SD 3.93Å; L362-M364 PolarHBondContact O-N 2.98Å; M364-A366 PolarHBondContact O-N 3.32Å
365D92.3Very high93.7Very high130 Ų13058.2 Ų58.270%0.69531%0.309SS*.  trans-82.3102.5169.5-60.5-56.9000108.4K359K359-D365 WeakPolarHBondContact CD-OD1 3.42Å; K359-D365 WeakPolarHBondContact CE-OD1 3.46Å; K359-D365 VanDerWaalsContact NZ-CG 3.34Å; K359-D365 IonicContact NZ-OD1 3.59Å; K359-D365 PolarHBondContact NZ-OD1 3.3Å; K359-D365 IonicContact NZ-OD2 2.69Å; K359-D365 PolarHBondContact NZ-OD2 2.86Å
366A92.2Very high93.4Very high20 Ų2057.9 Ų57.917%0.16531%0.306CS..  trans-115.3140.617900000110.5T355 M364T355-A366 WeakPolarHBondContact CG2-O 3.48Å; M364-A366 PolarHBondContact O-N 3.32Å
367A93.3Very high92.7Very high36 Ų3660.2 Ų60.230%0.29832%0.317SS..  trans-94.5156.9168.300000110.4E369 D370A367-E369 HydrophobicContact CB-CG 3.86Å; A367-E369 PolarHBondContact O-N 3.4Å; A367-D370 PolarHBondContact N-OD2 3.13Å; A367-D370 VanDerWaalsContact N-OD2 3.08Å; A367-D370 WeakPolarHBondContact O-CB 3.3Å; A367-D370 PolarHBondContact O-N 3.12Å
368E93.6Very high91.8Very high97 Ų9761.1 Ų61.145%0.45332%0.324SS..G310 helixtrans-58-34.2178.3-65.6-173.7-177.600112.3L351 S352 T355 D370 L371L351-E368 HydrophobicContact CB-CB 4.17Å; L351-E368 HydrophobicContact CB-CG 3.87Å; L351-E368 HydrophobicContact CD1-CB 4.44Å; S352-E368 WeakPolarHBondContact CA-OE1 3.21Å; S352-E368 WeakPolarHBondContact CB-OE1 3.43Å; S352-E368 PolarHBondContact N-OE1 3.33Å; T355-E368 HydrophobicContact CG2-CG 4.2Å; E368-D370 PolarHBondContact O-N 3.43Å; E368-L371 WeakPolarHBondContact O-CB 3.2Å; E368-L371 PolarHBondContact O-N 2.84Å; E368-L371 VanDerWaalsContact O-N 3.14Å
369E92.8Very high90.6Very high175 Ų17563.8 Ų63.882%0.81835%0.346SS*.G310 helixtrans-68.2-17.2175.845.3-123.3-167.900114.9A367 L371A367-E369 HydrophobicContact CB-CG 3.86Å; A367-E369 PolarHBondContact O-N 3.4Å; E369-L371 VanDerWaalsContact C-N 3.32Å
370D91.5Very high89.2Confident71 Ų7168.2 Ų68.238%0.3837%0.368SS..G310 helixtrans-80.7-16.5173-62.8-48.7000112.1P332 A367 E368P332-D370 WeakPolarHBondContact CD-O 3.41Å; P332-D370 HydrophobicContact CG-CB 4.31Å; A367-D370 PolarHBondContact N-OD2 3.13Å; A367-D370 VanDerWaalsContact N-OD2 3.08Å; A367-D370 WeakPolarHBondContact O-CB 3.3Å; A367-D370 PolarHBondContact O-N 3.12Å; E368-D370 PolarHBondContact O-N 3.43Å
371L93.9Very high87.8Confident18 Ų1866.1 Ų66.19%0.09436%0.363CS..  trans-80.7124.5-174.3-57-174.5000112V329 C331 L351 M354 T355 F358 E368 E369 A373V329-L371 HydrophobicContact CG1-CB 3.94Å; C331-L371 HydrophobicContact CB-CD2 3.7Å; L351-L371 HydrophobicContact CB-CD1 4.1Å; L351-L371 HydrophobicContact CD2-CD1 4.02Å; M354-L371 HydrophobicContact CB-CD1 3.9Å; T355-L371 HydrophobicContact CG2-CD1 3.92Å; T355-L371 HydrophobicContact CG2-CG 4.46Å; F358-L371 HydrophobicContact CD2-CD2 3.95Å; F358-L371 HydrophobicContact CE2-CD2 3.6Å; E368-L371 WeakPolarHBondContact O-CB 3.2Å; E368-L371 PolarHBondContact O-N 2.84Å; E368-L371 VanDerWaalsContact O-N 3.14Å; E369-L371 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 2.9Å
372D92.5Very high86Confident44 Ų4470.6 Ų70.624%0.23539%0.386CS..BIsolated β-bridgetrans-93.591.6173.7179.19.2000110.2R271 F330 T374 C375R271-D372 IonicContact NH2-OD2 3.43Å; F330-D372 HydrophobicContact CB-CB 4.29Å; F330-D372 PolarHBondContact N-O 2.75Å; F330-D372 PolarHBondContact O-N 2.92Å; D372-T374 PolarHBondContact OD1-N 2.83Å; D372-T374 VanDerWaalsContact OD1-N 3.11Å; D372-T374 PolarHBondContact OD1-OG1 2.98Å; D372-C375 PolarHBondContact OD2-SG 3.18Å; D372-C375 VanDerWaalsContact OD2-SG 3.36Å
373A90.5Very high83.7Confident19 Ų1978.1 Ų78.116%0.15742%0.422CS..  trans-96.711.5172.700000112.9R327 V329 L351 L371R327-A373 PolarHBondContact NH1-O 2.87Å; V329-A373 HydrophobicContact CG1-CB 4.13Å; V329-A373 HydrophobicContact CG2-CB 4.06Å; L351-A373 HydrophobicContact CD2-CB 4.41Å; L371-A373 PolarHBondContact O-N 2.9Å
374T89.1Confident81.2Confident126 Ų12681.9 Ų81.977%0.77345%0.449SS*.  trans-87.8-15.7-17568.40000113.4D372 E376D372-T374 PolarHBondContact OD1-N 2.83Å; D372-T374 VanDerWaalsContact OD1-N 3.11Å; D372-T374 PolarHBondContact OD1-OG1 2.98Å; T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 PolarHBondContact O-N 2.96Å
375C85.7Confident78.5Confident36 Ų3688.4 Ų88.424%0.24348%0.48CS..SBendtrans-68.4-27.2-178.6-69.50000113H269 F330 D372H269-C375 HydrophobicContact CB-CB 4.02Å; F330-C375 HydrophobicContact CD2-CB 4.49Å; F330-C375 HydrophobicContact CE2-CB 4.39Å; D372-C375 PolarHBondContact OD2-SG 3.18Å; D372-C375 VanDerWaalsContact OD2-SG 3.36Å
376E88.8Confident76Confident13 Ų1386.3 Ų86.36%0.06148%0.481CS..SBendtrans-140.3145-177.3-64.5-174.117900111.5I268 H269 R299 R327 R328 T374I268-E376 WeakPolarHBondContact CA-OE1 3.3Å; H269-E376 HydrophobicContact CB-CG 4.06Å; H269-E376 PolarHBondContact N-OE1 2.86Å; R299-E376 IonicContact CZ-OE1 3.96Å; R299-E376 IonicContact CZ-OE2 2.71Å; R299-E376 IonicContact NH1-OE1 3.75Å; R299-E376 IonicContact NH1-OE2 2.72Å; R299-E376 PolarHBondContact NH1-OE2 2.81Å; R299-E376 IonicContact NH2-OE1 3.9Å; R299-E376 PolarHBondContact NH2-OE1 2.91Å; R299-E376 IonicContact NH2-OE2 2.8Å; R299-E376 PolarHBondContact NH2-OE2 2.72Å; R327-E376 HydrophobicContact CB-CB 4.35Å; R328-E376 PolarHBondContact N-OE2 2.76Å; T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 PolarHBondContact O-N 2.96Å
377I82.3Confident72.9Confident156 Ų15690.1 Ų90.180%0.850%0.502SS*.PPolyproline II helixtrans-99145.9176.4-53.2172.1000107.9
378I77.1Confident70.2Confident69 Ų6997.1 Ų97.135%0.35453%0.528SS..PPolyproline II helixtrans-64.1135.1173.6-60.2174.7000108.3R327 E380R327-I378 HydrophobicContact CG-CG1 4.29Å; I378-E380 PolarHBondContact O-N 2.84Å
379A71.8Confident67.3Low56 Ų56100 Ų10046%0.46354%0.542SS..PPolyproline II helixtrans-65.8122.2172.900000109.2C324C324-A379 HydrophobicContact CB-CB 4.33Å; C324-A379 PolarHBondContact SG-O 2.95Å
380E67.4Low64.4Low163 Ų163100.4 Ų100.476%0.76254%0.544SS*.PPolyproline II helixtrans-80.3125.4170.8-68179.1178.900108.4I378 I382I378-E380 PolarHBondContact O-N 2.84Å; E380-I382 PolarHBondContact O-N 2.71Å
381V65.4Low61.4Low69 Ų69104.5 Ų104.542%0.41856%0.561SS.*  trans-68.1106163.4-178.60000105.1Q322 C324 E383Q322-V381 HydrophobicContact CB-CG1 4.26Å; Q322-V381 HydrophobicContact CG-CG1 4.2Å; Q322-V381 HydrophobicContact CG-CG2 4.4Å; C324-V381 WeakPolarHBondContact SG-CG2 3.39Å; V381-E383 PolarHBondContact O-N 2.77Å
382I58.8Low58.4Low131 Ų131109 Ų10967%0.67259%0.591SS**  trans-67.595166.4-57.8173.7000104.1E380 S384E380-I382 PolarHBondContact O-N 2.71Å; I382-S384 PolarHBondContact O-N 2.99Å
383E49.3Very low55.6Low162 Ų162112 Ų11276%0.75762%0.621SS**  trans-55.8101.6155.4-71.3-174.2-0.100103.8V381 E385V381-E383 PolarHBondContact O-N 2.77Å; E383-E385 PolarHBondContact O-N 3.18Å
384S43.8Very low53Low102 Ų102119.1 Ų119.171%0.71365%0.651SS**  trans-58.493.3154.953.60000103.4I382 A386I382-S384 PolarHBondContact O-N 2.99Å; S384-A386 PolarHBondContact O-N 2.86Å
385E37.7Very low50.4Low164 Ų164122.4 Ų122.477%0.76666%0.658SS**  trans-47.6100.1144.7-75.5-174.7170.700102E383 T387E383-E385 PolarHBondContact O-N 3.18Å; E385-T387 PolarHBondContact O-N 2.73Å
386A37.8Very low47.9Very low86 Ų86127.9 Ų127.971%0.71169%0.685SS**  trans-56.391.7150.400000101.8S384 E388S384-A386 PolarHBondContact O-N 2.86Å; A386-E388 PolarHBondContact O-N 2.67Å
387T28.3Very low45.2Very low99 Ų99135.9 Ų135.961%0.60772%0.722SS**  trans-49112.5154.6-46.20000101.2E385 E389E385-T387 PolarHBondContact O-N 2.73Å; T387-E389 HydrophobicContact CG2-CG 4.16Å; T387-E389 PolarHBondContact O-N 2.89Å
388E36.7Very low42.7Very low184 Ų184137.3 Ų137.386%0.8673%0.728SS**  trans-58.577.4153.9-69.6179170.400103.7A386 E390A386-E388 PolarHBondContact O-N 2.67Å; E388-E390 PolarHBondContact O-N 3.44Å
389E31.8Very low40.5Very low158 Ų158141.2 Ų141.274%0.73875%0.748SS**  trans-57.3102.4149.6-72-170.6168.900101.7T387 E391T387-E389 HydrophobicContact CG2-CG 4.16Å; T387-E389 PolarHBondContact O-N 2.89Å; E389-E391 PolarHBondContact O-N 3.1Å
390E32.7Very low38.5Very low183 Ų183144.9 Ų144.986%0.85576%0.76SS**  trans-51.988.9153.9-75.7-173.7156.200105.1E388E388-E390 PolarHBondContact O-N 3.44Å
391E29.1Very low37Very low157 Ų157142.9 Ų142.973%0.73476%0.761SS**  trans-54.5125162.2-76-155.6160.400105.2E389 A393E389-E391 PolarHBondContact O-N 3.1Å; E391-A393 PolarHBondContact O-N 3.05Å
392P29.7Very low35.5Very low113 Ų113151.5 Ų151.573%0.73479%0.787SS**  trans-58123166.825.9-29.2000105.4E394P392-E394 VanDerWaalsContact C-N 3.3Å; P392-E394 PolarHBondContact O-N 2.71Å
393A33.3Very low34.5Very low105 Ų105155.7 Ų155.787%0.86879%0.794SS**  trans-54.193.9-178.900000110.5E391E391-A393 PolarHBondContact O-N 3.05Å
394E35.6Very low34.1Very low169 Ų169152.6 Ų152.679%0.7978%0.783SS**  trans-108.6103.4159.4-74-163.3170.600106.5P392 N396P392-E394 VanDerWaalsContact C-N 3.3Å; P392-E394 PolarHBondContact O-N 2.71Å; E394-N396 PolarHBondContact O-N 2.94Å
395E35.6Very low34.1Very low196 Ų196154.5 Ų154.592%0.91679%0.785SS**  trans-54.3102.7170.2-71.5176.6157.800109.4
396N32.2Very low34.4Very low151 Ų151156.6 Ų156.681%0.80779%0.787SS**  trans-12292.9165.9-127.1-11.5000108.2E394 M398E394-N396 PolarHBondContact O-N 2.94Å; N396-M398 PolarHBondContact O-N 2.93Å
397E33.9Very low34.8Very low181 Ų181157.7 Ų157.785%0.84678%0.78SS**  trans-59.5113.5173.5-73.1-169.914500110.4L399E397-L399 PolarHBondContact O-N 2.71Å
398M27.7Very low35.5Very low186 Ų186155.3 Ų155.392%0.91678%0.775SS**  trans-68.3121162.4-86.9-17775.800109.7N396 D400N396-M398 PolarHBondContact O-N 2.93Å; M398-D400 PolarHBondContact O-N 3.18Å
399L31.1Very low36.3Very low150 Ų150150.9 Ų150.979%0.78576%0.76SS**  trans-73.5115171.8-73.5162.9000111.1E397E397-L399 PolarHBondContact O-N 2.71Å
400D31.1Very low37.2Very low133 Ų133146 Ų14671%0.71175%0.747SS**  trans-64.8130.2166-90.7-34000111.5M398 W402M398-D400 PolarHBondContact O-N 3.18Å; D400-W402 PolarHBondContact O-N 3.4Å; D400-W402 VanDerWaalsContact O-N 3.1Å
401P36.5Very low38.1Very low121 Ų121143.4 Ų143.479%0.78674%0.737SS**THydrogen-bonded Turntrans-75.92-174.3-11.326.4000115.3
402W33.5Very low39.2Very low250 Ų250138.9 Ų138.995%0.94773%0.726SS**THydrogen-bonded Turntrans-122.423.8-171-88.760.7000114.6D400D400-W402 PolarHBondContact O-N 3.4Å; D400-W402 VanDerWaalsContact O-N 3.1Å
403R36.3Very low40.3Very low220 Ų220137.1 Ų137.183%0.8371%0.713SS**SBendtrans-133.519.7-178.6-139.8175.7161-133.4-5.7116.2
404N42.8Very low41.4Very low96 Ų96134.4 Ų134.451%0.51369%0.69SS.*  trans-126.510.5-171.9-132.86.8000118.8
405N41.9Very low42.9Very low143 Ų143130.9 Ų130.977%0.76568%0.68SS**THydrogen-bonded Turntrans-85.1-3.5178-79.6-3.7000115.4V409N405-V409 VanDerWaalsContact O-CG2 3.24Å; N405-V409 WeakPolarHBondContact O-CG2 3.43Å
406Y44.6Very low44.2Very low207 Ų207124 Ų12481%0.81266%0.657SS**THydrogen-bonded Turntrans-96-28.8178.2-76-81.2000113.8V409 A410Y406-V409 PolarHBondContact O-N 2.93Å; Y406-A410 WeakPolarHBondContact O-CB 3.39Å; Y406-A410 PolarHBondContact O-N 2.74Å
407I47Very low45.7Very low110 Ų110122.5 Ų122.556%0.56465%0.648SS**Hα-helixtrans-74.4-40.2-178.4-62176.6000110.7V409 A410 M411I407-V409 VanDerWaalsContact C-N 3.32Å; I407-V409 PolarHBondContact O-N 3.49Å; I407-A410 PolarHBondContact O-N 3.34Å; I407-M411 WeakPolarHBondContact O-CB 3.37Å; I407-M411 WeakPolarHBondContact O-CG 3.4Å; I407-M411 PolarHBondContact O-N 3.43Å
408G43.2Very low47.4Very low48 Ų48119.8 Ų119.850%0.49564%0.639SS.*Hα-helixtrans-62.8-36.917400000113.1A412G408-A412 VanDerWaalsContact O-CB 3.25Å; G408-A412 WeakPolarHBondContact O-CB 3.46Å; G408-A412 PolarHBondContact O-N 3.44Å
409V52.2Low49.3Very low91 Ų91113.7 Ų113.755%0.55262%0.618SS**Hα-helixtrans-72.6-37.7177175.80000111.6N405 Y406 I407 T413N405-V409 VanDerWaalsContact O-CG2 3.24Å; N405-V409 WeakPolarHBondContact O-CG2 3.43Å; Y406-V409 PolarHBondContact O-N 2.93Å; I407-V409 VanDerWaalsContact C-N 3.32Å; I407-V409 PolarHBondContact O-N 3.49Å; V409-T413 WeakPolarHBondContact O-CB 3.24Å; V409-T413 WeakPolarHBondContact O-CG2 3.45Å; V409-T413 PolarHBondContact O-N 2.96Å; V409-T413 PolarHBondContact O-OG1 2.99Å
410A51.3Low50.9Low56 Ų56111.5 Ų111.546%0.46361%0.607SS.*Hα-helixtrans-68.1-39175.200000112.5Y406 I407 T413 A414Y406-A410 WeakPolarHBondContact O-CB 3.39Å; Y406-A410 PolarHBondContact O-N 2.74Å; I407-A410 PolarHBondContact O-N 3.34Å; A410-T413 WeakPolarHBondContact CA-OG1 3.25Å; A410-T413 PolarHBondContact O-OG1 3.04Å; A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 2.99Å
411M51.8Low52.7Low129 Ų129107.5 Ų107.564%0.63559%0.593SS**Hα-helixtrans-70.3-42.3175.9-77.6-86.9-84.800111.7I407 T413 A414 V415I407-M411 WeakPolarHBondContact O-CB 3.37Å; I407-M411 WeakPolarHBondContact O-CG 3.4Å; I407-M411 PolarHBondContact O-N 3.43Å; M411-T413 VanDerWaalsContact C-N 3.34Å; M411-T413 PolarHBondContact O-N 2.99Å; M411-A414 PolarHBondContact O-N 3.34Å; M411-V415 VanDerWaalsContact O-CG2 3.3Å; M411-V415 WeakPolarHBondContact O-CG2 3.3Å; M411-V415 PolarHBondContact O-N 3.44Å
412A51.5Low54.1Low62 Ų62104.7 Ų104.751%0.51258%0.579SS.*Hα-helixtrans-63.9-37.6176.700000112.5G408 A416G408-A412 VanDerWaalsContact O-CB 3.25Å; G408-A412 WeakPolarHBondContact O-CB 3.46Å; G408-A412 PolarHBondContact O-N 3.44Å; A412-A416 VanDerWaalsContact O-CB 3.32Å; A412-A416 WeakPolarHBondContact O-CB 3.44Å; A412-A416 PolarHBondContact O-N 3.06Å
413T53.9Low55.8Low76 Ų7695.6 Ų95.647%0.46655%0.554SS.*Hα-helixtrans-70.3-38.8175.743.90000112.5V409 A410 M411 A416 L417V409-T413 WeakPolarHBondContact O-CB 3.24Å; V409-T413 WeakPolarHBondContact O-CG2 3.45Å; V409-T413 PolarHBondContact O-N 2.96Å; V409-T413 PolarHBondContact O-OG1 2.99Å; A410-T413 WeakPolarHBondContact CA-OG1 3.25Å; A410-T413 PolarHBondContact O-OG1 3.04Å; M411-T413 VanDerWaalsContact C-N 3.34Å; M411-T413 PolarHBondContact O-N 2.99Å; T413-A416 PolarHBondContact O-N 2.91Å; T413-L417 WeakPolarHBondContact O-CB 3.34Å; T413-L417 VanDerWaalsContact O-CG 3.3Å; T413-L417 WeakPolarHBondContact O-CG 3.45Å; T413-L417 PolarHBondContact O-N 3.49Å
414A55.4Low57.2Low47 Ų4790.4 Ų90.439%0.38854%0.542SS..Hα-helixtrans-64.6-41.8174.700000112.5A410 M411 L417 L418A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 2.99Å; M411-A414 PolarHBondContact O-N 3.34Å; A414-L417 PolarHBondContact O-N 2.9Å; A414-L418 WeakPolarHBondContact O-CB 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.47Å; A414-L418 PolarHBondContact O-N 2.97Å
415V67.1Low58.2Low95 Ų9592.4 Ų92.458%0.57655%0.549SS*.Hα-helixtrans-67.7-39.5176.6174.60000111.3M411 L418 A419M411-V415 VanDerWaalsContact O-CG2 3.3Å; M411-V415 WeakPolarHBondContact O-CG2 3.3Å; M411-V415 PolarHBondContact O-N 3.44Å; V415-L418 PolarHBondContact O-N 2.97Å; V415-A419 WeakPolarHBondContact O-CB 3.43Å; V415-A419 PolarHBondContact O-N 3.42Å
416A63.1Low59.2Low52 Ų5294.6 Ų94.643%0.4355%0.548SS..Hα-helixtrans-64.7-38.4175.200000112.6A412 T413 A419 L420A412-A416 VanDerWaalsContact O-CB 3.32Å; A412-A416 WeakPolarHBondContact O-CB 3.44Å; A412-A416 PolarHBondContact O-N 3.06Å; T413-A416 PolarHBondContact O-N 2.91Å; A416-A419 PolarHBondContact O-N 3.4Å; A416-L420 WeakPolarHBondContact O-CB 3.24Å; A416-L420 PolarHBondContact O-N 2.91Å
417L63.7Low59.8Low119 Ų11990.7 Ų90.762%0.62354%0.541SS*.Hα-helixtrans-69.7-38176.1-73171.3000112.3T413 A414 L420 A421T413-L417 WeakPolarHBondContact O-CB 3.34Å; T413-L417 VanDerWaalsContact O-CG 3.3Å; T413-L417 WeakPolarHBondContact O-CG 3.45Å; T413-L417 PolarHBondContact O-N 3.49Å; A414-L417 PolarHBondContact O-N 2.9Å; L417-L420 PolarHBondContact O-N 3.46Å; L417-A421 WeakPolarHBondContact O-CB 3.29Å; L417-A421 PolarHBondContact O-N 3.4Å
418L69.4Low60.1Low125 Ų12589.4 Ų89.465%0.65454%0.541SS*.Hα-helixtrans-68-38.6173.9-76.8169.9000112.2A414 V415 A421 A422A414-L418 WeakPolarHBondContact O-CB 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.47Å; A414-L418 PolarHBondContact O-N 2.97Å; V415-L418 PolarHBondContact O-N 2.97Å; L418-A421 PolarHBondContact O-N 2.98Å; L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 2.88Å
419A68.1Low60.6Low58 Ų5894.3 Ų94.348%0.47956%0.556SS.*Hα-helixtrans-66.5-38.2174.800000112V415 A416 S423V415-A419 WeakPolarHBondContact O-CB 3.43Å; V415-A419 PolarHBondContact O-N 3.42Å; A416-A419 PolarHBondContact O-N 3.4Å; A419-S423 VanDerWaalsContact O-CB 3.24Å; A419-S423 WeakPolarHBondContact O-CB 3.5Å; A419-S423 PolarHBondContact O-N 2.97Å
420L65.1Low60.4Low103 Ų10398.8 Ų98.854%0.53958%0.584SS.*Hα-helixtrans-64.8-43.9172.2-90.8162.1000112A416 L417 S423 I424A416-L420 WeakPolarHBondContact O-CB 3.24Å; A416-L420 PolarHBondContact O-N 2.91Å; L417-L420 PolarHBondContact O-N 3.46Å; L420-S423 PolarHBondContact O-N 2.95Å; L420-I424 WeakPolarHBondContact O-CB 3.24Å; L420-I424 WeakPolarHBondContact O-CD1 3.43Å; L420-I424 VanDerWaalsContact O-CG1 3.24Å; L420-I424 WeakPolarHBondContact O-CG1 3.3Å; L420-I424 PolarHBondContact O-N 3.33Å
421A67.8Low60.9Low50 Ų50101 Ų10141%0.41359%0.59SS.*Hα-helixtrans-64.1-41.917700000112.1L417 L418 I424 M425L417-A421 WeakPolarHBondContact O-CB 3.29Å; L417-A421 PolarHBondContact O-N 3.4Å; L418-A421 PolarHBondContact O-N 2.98Å; A421-I424 PolarHBondContact O-N 3.45Å; A421-M425 WeakPolarHBondContact O-CB 3.33Å; A421-M425 VanDerWaalsContact O-CG 3.3Å; A421-M425 WeakPolarHBondContact O-CG 3.43Å; A421-M425 PolarHBondContact O-N 3.35Å
422A66.7Low61.4Low61 Ų6199.5 Ų99.550%0.50459%0.587SS.*Hα-helixtrans-66.7-37.9175.700000112.3L418 M425 Y426L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 2.88Å; A422-M425 PolarHBondContact O-N 3.38Å; A422-Y426 VanDerWaalsContact O-CB 3.29Å; A422-Y426 WeakPolarHBondContact O-CB 3.37Å; A422-Y426 PolarHBondContact O-N 2.93Å
423S67.9Low61.9Low60 Ų60101.6 Ų101.642%0.4259%0.591SS.*Hα-helixtrans-67.1-40.7175.7-173.80000112.1A419 L420 Y426 L427A419-S423 VanDerWaalsContact O-CB 3.24Å; A419-S423 WeakPolarHBondContact O-CB 3.5Å; A419-S423 PolarHBondContact O-N 2.97Å; L420-S423 PolarHBondContact O-N 2.95Å; S423-Y426 PolarHBondContact O-N 3.45Å; S423-L427 WeakPolarHBondContact O-CB 3.5Å; S423-L427 WeakPolarHBondContact O-CG 3.47Å; S423-L427 PolarHBondContact O-N 2.98Å
424I66.5Low62.4Low111 Ų111103.1 Ų103.157%0.56960%0.599SS**Hα-helixtrans-66-41.2175.6-68.5165.5000110.8L420 A421 L427 S428L420-I424 WeakPolarHBondContact O-CB 3.24Å; L420-I424 WeakPolarHBondContact O-CD1 3.43Å; L420-I424 VanDerWaalsContact O-CG1 3.24Å; L420-I424 WeakPolarHBondContact O-CG1 3.3Å; L420-I424 PolarHBondContact O-N 3.33Å; A421-I424 PolarHBondContact O-N 3.45Å; I424-L427 PolarHBondContact O-N 3.34Å; I424-S428 WeakPolarHBondContact O-CB 3.48Å; I424-S428 PolarHBondContact O-N 2.92Å; I424-S428 VanDerWaalsContact O-N 3.13Å; I424-S428 PolarHBondContact O-OG 2.62Å
425M64.8Low62.8Low137 Ų137106.6 Ų106.668%0.67561%0.612SS**Hα-helixtrans-64.7-37.4174.3-77.1-70.6-52.400112.6A421 A422 S428A421-M425 WeakPolarHBondContact O-CB 3.33Å; A421-M425 VanDerWaalsContact O-CG 3.3Å; A421-M425 WeakPolarHBondContact O-CG 3.43Å; A421-M425 PolarHBondContact O-N 3.35Å; A422-M425 PolarHBondContact O-N 3.38Å; M425-S428 WeakPolarHBondContact CA-OG 3.48Å; M425-S428 PolarHBondContact O-OG 3.13Å
426Y62.7Low62.5Low190 Ų190107.3 Ų107.375%0.74561%0.614SS**Hα-helixtrans-74.4-30.2178.7-170-96000112.9A422 S423A422-Y426 VanDerWaalsContact O-CB 3.29Å; A422-Y426 WeakPolarHBondContact O-CB 3.37Å; A422-Y426 PolarHBondContact O-N 2.93Å; S423-Y426 PolarHBondContact O-N 3.45Å
427L55.5Low62.5Low125 Ų125111.3 Ų111.365%0.65463%0.627SS**Hα-helixtrans-85.6-9.5176.9-78.3161.9000114S423 I424S423-L427 WeakPolarHBondContact O-CB 3.5Å; S423-L427 WeakPolarHBondContact O-CG 3.47Å; S423-L427 PolarHBondContact O-N 2.98Å; I424-L427 PolarHBondContact O-N 3.34Å
428S54.4Low62.4Low82 Ų82110.7 Ų110.757%0.57363%0.628SS**THydrogen-bonded Turntrans-97.12.7176.438.40000114I424 M425I424-S428 WeakPolarHBondContact O-CB 3.48Å; I424-S428 PolarHBondContact O-N 2.92Å; I424-S428 VanDerWaalsContact O-N 3.13Å; I424-S428 PolarHBondContact O-OG 2.62Å; M425-S428 WeakPolarHBondContact CA-OG 3.48Å; M425-S428 PolarHBondContact O-OG 3.13Å
429D54.2Low61.8Low151 Ų151109.5 Ų109.581%0.80763%0.626SS**  trans-115.528176.2-123.5-0.6000112.6
430V47.8Very low61.2Low186 Ų186114.2 Ų114.2100%1.12764%0.639SS**  trans-118.30167177.10000110.7

Retrieved 430 of 430 residues in 965 ms (Link to these results)

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