A0A077ZAM0_TRITR Loading...

Putative nitroreductase TM1586 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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
1M77.1Confident94.6Very high147 Ų14751.4 Ų51.472%0.72426%0.261SS*.  01330177.5-169.5-67.300107.7L3 F32 F91M1-L3 HydrophobicContact CG-CD2 4.25Å; M1-L3 HydrophobicContact SD-CD2 3.89Å; M1-F32 HydrophobicContact CE-CD2 4.21Å; M1-F32 HydrophobicContact CE-CE2 4.49Å; M1-F32 HydrophobicContact SD-CD2 4.08Å; M1-F32 HydrophobicContact SD-CE2 3.8Å; M1-F91 HydrophobicContact CE-CD2 3.44Å; M1-F91 VanDerWaalsContact CE-CD2 3.44Å; M1-F91 HydrophobicContact CE-CE2 3.2Å; M1-F91 HydrophobicContact CE-CZ 4.35Å; M1-F91 HydrophobicContact SD-CD2 3.27Å; M1-F91 WeakPolarHBondContact SD-CD2 3.46Å; M1-F91 HydrophobicContact SD-CE2 3.75Å; M1-F91 HydrophobicContact SD-CG 4.32Å
2D85.6Confident94.6Very high75 Ų7550.6 Ų50.640%0.40126%0.264SS..  trans-99.599.2-177.6178.624.6000111.2Y4 S5D2-Y4 WeakPolarHBondContact OD1-CB 3.41Å; D2-Y4 PolarHBondContact OD1-N 2.79Å; D2-S5 PolarHBondContact OD1-N 3.32Å; D2-S5 WeakPolarHBondContact OD2-CB 3.45Å; D2-S5 PolarHBondContact OD2-N 3.24Å; D2-S5 PolarHBondContact OD2-OG 2.87Å
3L97Very high94.6Very high21 Ų2147.4 Ų47.411%0.1125%0.248CC..  trans-81.1-19.3172.4-59-177.9000112.2M1 S6 F32 L90 F91 V206M1-L3 HydrophobicContact CG-CD2 4.25Å; M1-L3 HydrophobicContact SD-CD2 3.89Å; L3-S6 WeakPolarHBondContact O-CB 3.31Å; L3-S6 PolarHBondContact O-N 3.45Å; L3-F32 HydrophobicContact CD1-CE2 4.39Å; L3-F32 HydrophobicContact CD1-CZ 3.9Å; L3-F32 HydrophobicContact CD2-CZ 4.5Å; L3-L90 HydrophobicContact CB-CB 4.31Å; L3-L90 HydrophobicContact CD2-CB 4.19Å; L3-F91 HydrophobicContact CD2-CB 4.1Å; L3-V206 HydrophobicContact CB-CG1 3.8Å; L3-V206 HydrophobicContact CB-CG2 4.14Å; L3-V206 HydrophobicContact CD1-CG2 4.28Å
4Y98.1Very high94.6Very high59 Ų5953.5 Ų53.523%0.23127%0.266CS..Hα-helixtrans-70.9-45.8-171.8-179.9-107000111.5D2 S6 I7 F8 A152 V206 A207 H210D2-Y4 WeakPolarHBondContact OD1-CB 3.41Å; D2-Y4 PolarHBondContact OD1-N 2.79Å; Y4-S6 PolarHBondContact O-N 3.48Å; Y4-I7 HydrophobicContact CD2-CD1 4.28Å; Y4-I7 WeakPolarHBondContact O-CB 3.29Å; Y4-I7 PolarHBondContact O-N 3.36Å; Y4-F8 AromaticContact CD1-CE2 3.93Å; Y4-F8 HydrophobicContact CD1-CE2 3.93Å; Y4-F8 HydrophobicContact CD2-CE2 4Å; Y4-F8 AromaticContact CE1-CE2 3.57Å; Y4-F8 HydrophobicContact CE1-CE2 3.57Å; Y4-F8 HydrophobicContact CE1-CZ 4.05Å; Y4-F8 AromaticContact CE2-CE2 3.64Å; Y4-F8 HydrophobicContact CE2-CE2 3.64Å; Y4-F8 AromaticContact CE2-CZ 3.81Å; Y4-F8 HydrophobicContact CE2-CZ 3.81Å; Y4-F8 HydrophobicContact CG-CE2 4.14Å; Y4-F8 AromaticContact CZ-CE2 3.42Å; Y4-F8 VanDerWaalsContact CZ-CE2 3.42Å; Y4-F8 AromaticContact CZ-CZ 3.5Å; Y4-F8 WeakPolarHBondContact O-CD2 3.42Å; Y4-F8 WeakPolarHBondContact O-CE2 3.03Å; Y4-F8 WeakPolarHBondContact OH-CZ 3.36Å; Y4-A152 HydrophobicContact CE2-CB 4.28Å; Y4-V206 VanDerWaalsContact CA-CG1 3.48Å; Y4-V206 HydrophobicContact CD2-CG1 4.27Å; Y4-A207 HydrophobicContact CD2-CB 4.16Å; Y4-A207 HydrophobicContact CE2-CB 3.76Å; Y4-H210 HydrophobicContact CD1-CB 4.22Å; Y4-H210 AromaticContact CD1-CD2 3.38Å; Y4-H210 WeakPolarHBondContact CD1-CD2 3.28Å; Y4-H210 AromaticContact CD1-CE1 3.59Å; Y4-H210 AromaticContact CD1-CG 3.47Å; Y4-H210 VanDerWaalsContact CD1-CG 3.47Å; Y4-H210 AromaticContact CD1-ND1 3.6Å; Y4-H210 AromaticContact CD1-NE2 3.45Å; Y4-H210 WeakPolarHBondContact CD1-NE2 3.2Å; Y4-H210 HydrophobicContact CD2-CB 3.95Å; Y4-H210 AromaticContact CE1-CD2 3.49Å; Y4-H210 VanDerWaalsContact CE1-CD2 3.49Å; Y4-H210 WeakPolarHBondContact CE1-CD2 3.37Å; Y4-H210 AromaticContact CE1-NE2 3.63Å; Y4-H210 HydrophobicContact CG-CB 3.74Å; Y4-H210 AromaticContact CG-CD2 3.84Å; Y4-H210 AromaticContact CG-CG 3.49Å; Y4-H210 VanDerWaalsContact CG-CG 3.49Å; Y4-H210 AromaticContact CG-ND1 3.77Å
5S96.9Very high94.7Very high56 Ų5655.5 Ų55.539%0.39228%0.278SS..Hα-helixtrans-59.4-29.9175.655.10000113.5D2 I7 F8 T9D2-S5 PolarHBondContact OD1-N 3.32Å; D2-S5 WeakPolarHBondContact OD2-CB 3.45Å; D2-S5 PolarHBondContact OD2-N 3.24Å; D2-S5 PolarHBondContact OD2-OG 2.87Å; S5-I7 VanDerWaalsContact C-N 3.26Å; S5-I7 PolarHBondContact O-N 3.33Å; S5-F8 PolarHBondContact O-N 2.94Å; S5-T9 PolarHBondContact O-OG1 2.86Å
6S97.8Very high94.8Very high5 Ų553.1 Ų53.14%0.03527%0.265CS..Hα-helixtrans-62.2-31.4176.4-64.90000112.5L3 Y4 F8 T9 R10L3-S6 WeakPolarHBondContact O-CB 3.31Å; L3-S6 PolarHBondContact O-N 3.45Å; Y4-S6 PolarHBondContact O-N 3.48Å; S6-F8 PolarHBondContact O-N 3.04Å; S6-T9 PolarHBondContact O-N 3.5Å; S6-R10 WeakPolarHBondContact O-CB 3.17Å; S6-R10 PolarHBondContact O-N 2.86Å
7I98.4Very high95Very high2 Ų252.2 Ų52.21%0.0126%0.264CS..Hα-helixtrans-58.5-37.3178.7-67.3176000111.7Y4 S5 L90 F134 A152 L155 H203 V206Y4-I7 HydrophobicContact CD2-CD1 4.28Å; Y4-I7 WeakPolarHBondContact O-CB 3.29Å; Y4-I7 PolarHBondContact O-N 3.36Å; S5-I7 VanDerWaalsContact C-N 3.26Å; S5-I7 PolarHBondContact O-N 3.33Å; I7-L90 HydrophobicContact CD1-CD1 4.35Å; I7-L90 HydrophobicContact CG1-CD1 3.91Å; I7-L90 HydrophobicContact CG1-CD2 3.93Å; I7-F134 WeakPolarHBondContact O-CZ 3.49Å; I7-A152 HydrophobicContact CD1-CB 4.11Å; I7-A152 HydrophobicContact CG2-CB 4.24Å; I7-L155 HydrophobicContact CG2-CB 4.02Å; I7-L155 HydrophobicContact CG2-CD1 4.26Å; I7-H203 HydrophobicContact CD1-CB 4.22Å; I7-H203 WeakPolarHBondContact CG2-ND1 3.48Å; I7-V206 HydrophobicContact CD1-CB 4.05Å; I7-V206 HydrophobicContact CD1-CG1 3.79Å
8F97.9Very high95.1Very high39 Ų3954.7 Ų54.717%0.17128%0.275CS..THydrogen-bonded Turntrans-89.1-9.5-170.3-60.1-85.3000113.6Y4 S5 S6 L131 F134 A152 L155Y4-F8 AromaticContact CD1-CE2 3.93Å; Y4-F8 HydrophobicContact CD1-CE2 3.93Å; Y4-F8 HydrophobicContact CD2-CE2 4Å; Y4-F8 AromaticContact CE1-CE2 3.57Å; Y4-F8 HydrophobicContact CE1-CE2 3.57Å; Y4-F8 HydrophobicContact CE1-CZ 4.05Å; Y4-F8 AromaticContact CE2-CE2 3.64Å; Y4-F8 HydrophobicContact CE2-CE2 3.64Å; Y4-F8 AromaticContact CE2-CZ 3.81Å; Y4-F8 HydrophobicContact CE2-CZ 3.81Å; Y4-F8 HydrophobicContact CG-CE2 4.14Å; Y4-F8 AromaticContact CZ-CE2 3.42Å; Y4-F8 VanDerWaalsContact CZ-CE2 3.42Å; Y4-F8 AromaticContact CZ-CZ 3.5Å; Y4-F8 WeakPolarHBondContact O-CD2 3.42Å; Y4-F8 WeakPolarHBondContact O-CE2 3.03Å; Y4-F8 WeakPolarHBondContact OH-CZ 3.36Å; S5-F8 PolarHBondContact O-N 2.94Å; S6-F8 PolarHBondContact O-N 3.04Å; F8-L131 HydrophobicContact CB-CD2 4.04Å; F8-L131 HydrophobicContact CD1-CD2 3.78Å; F8-L131 HydrophobicContact CG-CD2 4.4Å; F8-F134 VanDerWaalsContact O-CE2 3.29Å; F8-F134 WeakPolarHBondContact O-CE2 3.41Å; F8-A152 HydrophobicContact CZ-CB 4.46Å; F8-L155 HydrophobicContact CD1-CD1 3.48Å; F8-L155 VanDerWaalsContact CD1-CD1 3.48Å; F8-L155 HydrophobicContact CE1-CD1 3.77Å; F8-L155 HydrophobicContact CG-CD1 4.31Å
9T97.5Very high95.2Very high58 Ų5859.3 Ų59.336%0.35629%0.294SS..THydrogen-bonded Turntrans-130.2-21.8-17254.40000113.8S5 S6 F93 S128 R129S5-T9 PolarHBondContact O-OG1 2.86Å; S6-T9 PolarHBondContact O-N 3.5Å; T9-F93 WeakPolarHBondContact OG1-CE1 3.34Å; T9-S128 CarbonylContact O-C 3.54Å; T9-S128 VanDerWaalsContact O-CA 3.29Å; T9-S128 WeakPolarHBondContact O-CA 3.19Å; T9-R129 WeakPolarHBondContact CA-O 3.09Å; T9-R129 WeakPolarHBondContact O-CG 3.47Å; T9-R129 PolarHBondContact O-N 3.2Å
10R97.4Very high95.3Very high9 Ų960.9 Ų60.93%0.03431%0.308CS..BIsolated β-bridgetrans-64.7136.2-178.9-172.9-166.372.581.31.5112.9S6 D89 F93 R129 P157S6-R10 WeakPolarHBondContact O-CB 3.17Å; S6-R10 PolarHBondContact O-N 2.86Å; R10-D89 WeakPolarHBondContact CD-OD1 3.18Å; R10-D89 WeakPolarHBondContact CD-OD2 3.41Å; R10-D89 IonicContact CZ-OD1 3.84Å; R10-D89 IonicContact CZ-OD2 2.87Å; R10-D89 IonicContact NE-OD1 3.05Å; R10-D89 IonicContact NE-OD2 3.01Å; R10-D89 PolarHBondContact NE-OD2 3.31Å; R10-D89 IonicContact NH1-OD1 3.76Å; R10-D89 PolarHBondContact NH1-OD1 3.13Å; R10-D89 IonicContact NH1-OD2 2.78Å; R10-D89 PolarHBondContact NH1-OD2 3.42Å; R10-D89 IonicContact NH2-OD2 2.72Å; R10-D89 PolarHBondContact NH2-OD2 2.98Å; R10-F93 HydrophobicContact CB-CB 4.44Å; R10-F93 HydrophobicContact CB-CD1 3.7Å; R10-F93 HydrophobicContact CB-CD2 4.05Å; R10-F93 HydrophobicContact CB-CE1 3.86Å; R10-F93 HydrophobicContact CB-CE2 4.2Å; R10-F93 HydrophobicContact CB-CG 3.78Å; R10-F93 HydrophobicContact CB-CZ 4.09Å; R10-F93 HydrophobicContact CG-CB 3.9Å; R10-F93 HydrophobicContact CG-CD1 4.05Å; R10-F93 HydrophobicContact CG-CD2 3.65Å; R10-F93 HydrophobicContact CG-CE2 4.15Å; R10-F93 HydrophobicContact CG-CG 3.57Å; R10-R129 PolarHBondContact O-NE 2.89Å; R10-R129 PolarHBondContact O-NH2 2.88Å; R10-R129 VanDerWaalsContact O-NH2 3.15Å; R10-P157 VanDerWaalsContact NH2-CG 3.26Å
11K96.6Very high95.4Very high94 Ų9458.8 Ų58.841%0.40930%0.298SS..  trans-123.3133.6170.3-171-176.8-178.6176.40109.2A127 R129K11-A127 WeakPolarHBondContact CA-O 3.33Å; K11-A127 VanDerWaalsContact CB-O 3.27Å; K11-A127 WeakPolarHBondContact CB-O 3.29Å; K11-A127 PolarHBondContact N-O 3.27Å; K11-A127 VanDerWaalsContact O-O 3.13Å; K11-R129 HydrophobicContact CB-CB 4.28Å; K11-R129 HydrophobicContact CB-CG 4.05Å; K11-R129 HydrophobicContact CD-CB 4.35Å
12S95.3Very high96.4Very high42 Ų4254.7 Ų54.729%0.29428%0.284SS..  trans-69138.3171.8-179.70000110.2S99 R100S12-S99 PolarHBondContact OG-O 3.25Å; S12-R100 WeakPolarHBondContact OG-CB 3.32Å; S12-R100 WeakPolarHBondContact OG-CG 3.49Å
13T94.9Very high97Very high9 Ų959.5 Ų59.56%0.05530%0.304CS..  trans-118.1159175.6-1710000111.7N15 F16 A98 R100 P123 A127T13-N15 PolarHBondContact OG1-N 3.45Å; T13-N15 PolarHBondContact OG1-O 2.89Å; T13-F16 HydrophobicContact CG2-CD1 4.02Å; T13-F16 HydrophobicContact CG2-CE1 3.49Å; T13-F16 VanDerWaalsContact CG2-CE1 3.49Å; T13-F16 HydrophobicContact CG2-CE2 4.36Å; T13-F16 HydrophobicContact CG2-CZ 3.69Å; T13-A98 HydrophobicContact CG2-CB 3.45Å; T13-A98 VanDerWaalsContact CG2-CB 3.45Å; T13-R100 VanDerWaalsContact O-CB 3.25Å; T13-R100 WeakPolarHBondContact O-CB 3.19Å; T13-R100 WeakPolarHBondContact O-CD 3.5Å; T13-P123 HydrophobicContact CG2-CB 4.26Å; T13-A127 HydrophobicContact CG2-CB 4.49Å
14R94Very high97Very high133 Ų13363.2 Ų63.250%0.50233%0.327SS..SBendtrans-110.4-5.7166.8-67.4174.6177.9-103.911.2111.8P61 R100R14-P61 HydrophobicContact CB-CB 4.38Å; R14-P61 HydrophobicContact CB-CG 4.5Å; R14-P61 HydrophobicContact CG-CG 4.35Å; R14-R100 VanDerWaalsContact CZ-CZ 3.49Å; R14-R100 VanDerWaalsContact CZ-NH2 3.31Å; R14-R100 VanDerWaalsContact NE-CZ 3.26Å
15N95.7Very high97Very high84 Ų8461.3 Ų61.345%0.44932%0.322SS..  trans-112.6107.2-169.7-60.7-41.9000108.5T13 A124 E125T13-N15 PolarHBondContact OG1-N 3.45Å; T13-N15 PolarHBondContact OG1-O 2.89Å; N15-A124 HydrophobicContact CB-CB 4.22Å; N15-A124 PolarHBondContact O-N 2.68Å; N15-E125 PolarHBondContact ND2-OE1 3.4Å
16F97.3Very high97.1Very high16 Ų1659.9 Ų59.97%0.0731%0.31CS..BIsolated β-bridgetrans-117.1150.7179.9-55.8-84.3000109.6T13 P61 K62 A63 A98 R100 A119 E122T13-F16 HydrophobicContact CG2-CD1 4.02Å; T13-F16 HydrophobicContact CG2-CE1 3.49Å; T13-F16 VanDerWaalsContact CG2-CE1 3.49Å; T13-F16 HydrophobicContact CG2-CE2 4.36Å; T13-F16 HydrophobicContact CG2-CZ 3.69Å; F16-P61 HydrophobicContact CE2-CB 4.19Å; F16-K62 WeakPolarHBondContact CD2-O 2.98Å; F16-A63 HydrophobicContact CB-CB 4.37Å; F16-A63 HydrophobicContact CD2-CB 3.56Å; F16-A63 HydrophobicContact CE2-CB 3.94Å; F16-A63 HydrophobicContact CG-CB 3.97Å; F16-A98 HydrophobicContact CE1-CB 4.12Å; F16-A98 WeakPolarHBondContact CE1-O 3.43Å; F16-R100 HydrophobicContact CZ-CB 4.45Å; F16-A119 HydrophobicContact CE2-CB 4.26Å; F16-A119 HydrophobicContact CZ-CB 4.46Å; F16-E122 CarbonylContact C-O 3.53Å; F16-E122 VanDerWaalsContact CA-O 3.29Å; F16-E122 WeakPolarHBondContact CA-O 3.34Å
17T97.1Very high97.1Very high39 Ų3966.2 Ų66.224%0.23934%0.336CS..  trans-67.7140.2160.979.60000107.5K19 P64 E122 A124T17-K19 PolarHBondContact O-N 3.34Å; T17-P64 WeakPolarHBondContact O-CD 3.33Å; T17-E122 HydrophobicContact CG2-CB 4.32Å; T17-E122 HydrophobicContact CG2-CG 3.96Å; T17-E122 PolarHBondContact N-O 2.86Å; T17-E122 WeakPolarHBondContact OG1-CB 3.42Å; T17-E122 PolarHBondContact OG1-OE2 3.49Å; T17-A124 HydrophobicContact CG2-CB 4.49Å
18M96.6Very high97.1Very high96 Ų9669.9 Ų69.947%0.47336%0.356SS..  trans-84.613.1179.5-67.6-57.9-5600112.7P20 P52 K62 A63M18-P20 WeakPolarHBondContact O-CD 3.38Å; M18-P52 HydrophobicContact CE-CG 4.12Å; M18-K62 HydrophobicContact SD-CB 3.86Å; M18-A63 WeakPolarHBondContact CE-O 3.36Å
19K97Very high97.1Very high143 Ų14368.1 Ų68.162%0.62235%0.349SS*.PPolyproline II helixtrans-73.9120.2175.9-178.1-177174.5-172.60108.2T17 L21T17-K19 PolarHBondContact O-N 3.34Å; K19-L21 PolarHBondContact O-N 2.72Å
20P97.7Very high97.2Very high90 Ų9068.9 Ų68.958%0.58435%0.348SS*.PPolyproline II helixtrans-57.2134172.5-24.335.4000110.8M18M18-P20 WeakPolarHBondContact O-CD 3.38Å
21L98.1Very high97.2Very high18 Ų1871.6 Ų71.69%0.09437%0.366CS..PPolyproline II helixtrans-60.2153.2166.8-58.3-177.1000110.6K19 T25 L26 H65 Y97 F120K19-L21 PolarHBondContact O-N 2.72Å; L21-T25 HydrophobicContact CB-CG2 4.08Å; L21-T25 HydrophobicContact CD1-CG2 3.91Å; L21-T25 HydrophobicContact CG-CG2 4.47Å; L21-L26 HydrophobicContact CB-CD2 4.12Å; L21-L26 HydrophobicContact CB-CG 4.42Å; L21-L26 HydrophobicContact CD1-CD2 4.48Å; L21-H65 PolarHBondContact N-NE2 3.02Å; L21-Y97 HydrophobicContact CD1-CD1 4.12Å; L21-Y97 HydrophobicContact CD1-CD2 4.49Å; L21-Y97 HydrophobicContact CD1-CE1 4.15Å; L21-Y97 HydrophobicContact CD1-CG 4.31Å; L21-Y97 HydrophobicContact CD2-CD1 3.73Å; L21-Y97 HydrophobicContact CD2-CE1 3.32Å; L21-Y97 HydrophobicContact CG-CE1 4.36Å; L21-F120 HydrophobicContact CD1-CD2 4.04Å; L21-F120 HydrophobicContact CD1-CE2 3.83Å
22S97.8Very high97.3Very high61 Ų6168.2 Ų68.243%0.42735%0.351SS..PPolyproline II helixtrans-65.2154.2179.476.10000111.8T24 T25 L26S22-T24 PolarHBondContact O-N 2.95Å; S22-T25 WeakPolarHBondContact O-CB 3.28Å; S22-T25 PolarHBondContact O-N 3.1Å; S22-T25 VanDerWaalsContact O-N 3.07Å; S22-T25 PolarHBondContact OG-N 3.2Å; S22-T25 VanDerWaalsContact OG-N 3.13Å; S22-T25 PolarHBondContact OG-OG1 2.95Å; S22-L26 PolarHBondContact O-N 3.48Å
23E97.4Very high97.4Very high176 Ų17666.8 Ų66.882%0.82234%0.34SS*.Hα-helixtrans-56.5-39.4175.5-66.9-179.1177.200112.2T25 L26 K27E23-T25 PolarHBondContact O-N 2.81Å; E23-L26 PolarHBondContact O-N 2.85Å; E23-K27 WeakPolarHBondContact O-CB 3.25Å; E23-K27 PolarHBondContact O-N 2.84Å
24T97.9Very high97.5Very high98 Ų9873.8 Ų73.860%0.60137%0.372SS*.Hα-helixtrans-58-48.6174.3-53.70000111.3S22 L26 K27 D28S22-T24 PolarHBondContact O-N 2.95Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 2.85Å; T24-K27 WeakPolarHBondContact O-CB 3.08Å; T24-K27 PolarHBondContact O-N 2.88Å; T24-D28 PolarHBondContact O-N 3.44Å
25T97.8Very high97.7Very high19 Ų1971.5 Ų71.512%0.11737%0.373CS..Hα-helixtrans-60.1-42.8177.6-55.30000112.2L21 S22 E23 K27 D28 V29 Y97L21-T25 HydrophobicContact CB-CG2 4.08Å; L21-T25 HydrophobicContact CD1-CG2 3.91Å; L21-T25 HydrophobicContact CG-CG2 4.47Å; S22-T25 WeakPolarHBondContact O-CB 3.28Å; S22-T25 PolarHBondContact O-N 3.1Å; S22-T25 VanDerWaalsContact O-N 3.07Å; S22-T25 PolarHBondContact OG-N 3.2Å; S22-T25 VanDerWaalsContact OG-N 3.13Å; S22-T25 PolarHBondContact OG-OG1 2.95Å; E23-T25 PolarHBondContact O-N 2.81Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-D28 PolarHBondContact O-N 3.24Å; T25-V29 WeakPolarHBondContact O-CG2 3.39Å; T25-V29 PolarHBondContact O-N 3.21Å; T25-V29 VanDerWaalsContact O-N 3.1Å; T25-Y97 HydrophobicContact CG2-CD2 4.37Å; T25-Y97 HydrophobicContact CG2-CE2 3.42Å; T25-Y97 VanDerWaalsContact CG2-CE2 3.42Å; T25-Y97 WeakPolarHBondContact CG2-OH 3.27Å; T25-Y97 PolarHBondContact OG1-OH 3.21Å
26L98.6Very high97.8Very high27 Ų2768.2 Ų68.214%0.14136%0.356CS..Hα-helixtrans-65.2-41.5178.6-64.9179.2000111L21 S22 E23 T24 D28 V29 E30 L49 F120L21-L26 HydrophobicContact CB-CD2 4.12Å; L21-L26 HydrophobicContact CB-CG 4.42Å; L21-L26 HydrophobicContact CD1-CD2 4.48Å; S22-L26 PolarHBondContact O-N 3.48Å; E23-L26 PolarHBondContact O-N 2.85Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 2.85Å; L26-D28 VanDerWaalsContact C-N 3.31Å; L26-D28 PolarHBondContact O-N 2.78Å; L26-V29 WeakPolarHBondContact O-CB 3.47Å; L26-V29 PolarHBondContact O-N 2.85Å; L26-V29 VanDerWaalsContact O-N 3.15Å; L26-E30 WeakPolarHBondContact O-CG 3.25Å; L26-E30 PolarHBondContact O-N 2.83Å; L26-L49 HydrophobicContact CB-CD2 4.03Å; L26-L49 HydrophobicContact CD1-CD2 4.3Å; L26-L49 HydrophobicContact CD2-CD1 4.47Å; L26-L49 HydrophobicContact CD2-CD2 4.02Å; L26-L49 HydrophobicContact CG-CD2 4.33Å; L26-F120 HydrophobicContact CD2-CE2 4.24Å; L26-F120 HydrophobicContact CD2-CZ 4.16Å
27K98.2Very high97.7Very high137 Ų13774.5 Ų74.560%0.59639%0.386SS*.Hα-helixtrans-63.1-36.4174.2-172.8172.4-177.4176.60112.5E23 T24 T25 V29 E30 T31E23-K27 WeakPolarHBondContact O-CB 3.25Å; E23-K27 PolarHBondContact O-N 2.84Å; T24-K27 WeakPolarHBondContact O-CB 3.08Å; T24-K27 PolarHBondContact O-N 2.88Å; T25-K27 VanDerWaalsContact C-N 3.34Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 3.46Å; K27-E30 PolarHBondContact O-N 3.47Å; K27-T31 VanDerWaalsContact O-CB 3.3Å; K27-T31 WeakPolarHBondContact O-CB 3.29Å; K27-T31 PolarHBondContact O-N 2.84Å; K27-T31 PolarHBondContact O-OG1 3.1Å
28D98.1Very high97.7Very high79 Ų7975.6 Ų75.642%0.42239%0.394SS..Hα-helixtrans-64.6-36.5174.7-66.5-25.7000111.4T24 T25 L26 F32 F91T24-D28 PolarHBondContact O-N 3.44Å; T25-D28 PolarHBondContact O-N 3.24Å; L26-D28 VanDerWaalsContact C-N 3.31Å; L26-D28 PolarHBondContact O-N 2.78Å; D28-F32 VanDerWaalsContact O-CB 3.3Å; D28-F32 WeakPolarHBondContact O-CB 3.43Å; D28-F32 PolarHBondContact O-N 2.74Å; D28-F91 HydrophobicContact CB-CZ 4.49Å
29V98.5Very high97.8Very high2 Ų271.6 Ų71.61%0.01237%0.374CS..Hα-helixtrans-64.9-46.9173.3175.30000111.7T25 L26 K27 F32 I33 V88 F91 L92T25-V29 WeakPolarHBondContact O-CG2 3.39Å; T25-V29 PolarHBondContact O-N 3.21Å; T25-V29 VanDerWaalsContact O-N 3.1Å; L26-V29 WeakPolarHBondContact O-CB 3.47Å; L26-V29 PolarHBondContact O-N 2.85Å; L26-V29 VanDerWaalsContact O-N 3.15Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 3.46Å; V29-F32 PolarHBondContact O-N 3.11Å; V29-I33 HydrophobicContact CG1-CD1 4.1Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 3.32Å; V29-V88 HydrophobicContact CG1-CG1 4.13Å; V29-F91 HydrophobicContact CB-CE1 4.41Å; V29-F91 HydrophobicContact CG2-CE1 3.93Å; V29-L92 HydrophobicContact CG2-CD2 3.64Å
30E98.5Very high97.8Very high75 Ų7566.8 Ų66.835%0.3536%0.355SS..Hα-helixtrans-63.1-45.4177.2-64.7-178.5129.200111.3L26 K27 F32 I33 E34 Y47L26-E30 WeakPolarHBondContact O-CG 3.25Å; L26-E30 PolarHBondContact O-N 2.83Å; K27-E30 PolarHBondContact O-N 3.47Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 3.29Å; E30-I33 WeakPolarHBondContact O-CB 3.2Å; E30-I33 PolarHBondContact O-N 3.06Å; E30-I33 VanDerWaalsContact O-N 3.16Å; E30-E34 PolarHBondContact O-N 3.3Å; E30-Y47 HydrophobicContact CG-CE2 4.36Å; E30-Y47 WeakPolarHBondContact CG-OH 3.42Å
31T98.4Very high97.6Very high66 Ų6668.3 Ų68.341%0.40537%0.365SS..Hα-helixtrans-59.8-43176-55.40000110.6K27 I33 E34 T35K27-T31 VanDerWaalsContact O-CB 3.3Å; K27-T31 WeakPolarHBondContact O-CB 3.29Å; K27-T31 PolarHBondContact O-N 2.84Å; K27-T31 PolarHBondContact O-OG1 3.1Å; T31-I33 PolarHBondContact O-N 2.88Å; T31-E34 PolarHBondContact O-N 3.34Å; T31-T35 WeakPolarHBondContact O-CG2 3.45Å; T31-T35 PolarHBondContact O-N 2.91Å
32F98.4Very high97.3Very high22 Ų2274.5 Ų74.510%0.09640%0.398CS..Hα-helixtrans-62.8-42.3176.9179.4-92.4000111.9M1 L3 D28 V29 E30 E34 T35 V36 H87 V88 F91M1-F32 HydrophobicContact CE-CD2 4.21Å; M1-F32 HydrophobicContact CE-CE2 4.49Å; M1-F32 HydrophobicContact SD-CD2 4.08Å; M1-F32 HydrophobicContact SD-CE2 3.8Å; L3-F32 HydrophobicContact CD1-CE2 4.39Å; L3-F32 HydrophobicContact CD1-CZ 3.9Å; L3-F32 HydrophobicContact CD2-CZ 4.5Å; D28-F32 VanDerWaalsContact O-CB 3.3Å; D28-F32 WeakPolarHBondContact O-CB 3.43Å; D28-F32 PolarHBondContact O-N 2.74Å; V29-F32 PolarHBondContact O-N 3.11Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 3.29Å; F32-E34 PolarHBondContact O-N 2.77Å; F32-T35 PolarHBondContact O-N 2.85Å; F32-T35 PolarHBondContact O-OG1 2.8Å; F32-V36 HydrophobicContact CD1-CG2 4.18Å; F32-V36 HydrophobicContact CE1-CG2 3.65Å; F32-V36 HydrophobicContact CZ-CG2 4.06Å; F32-V36 PolarHBondContact O-N 2.83Å; F32-H87 HydrophobicContact CE1-CB 4Å; F32-H87 WeakPolarHBondContact CE1-O 3.43Å; F32-H87 HydrophobicContact CZ-CB 4.16Å; F32-V88 HydrophobicContact CD1-CG2 4.29Å; F32-V88 HydrophobicContact CE1-CG2 4.35Å; F32-F91 HydrophobicContact CB-CD1 3.76Å; F32-F91 HydrophobicContact CB-CE1 3.69Å; F32-F91 HydrophobicContact CB-CE2 4.46Å; F32-F91 HydrophobicContact CB-CG 4.18Å; F32-F91 HydrophobicContact CB-CZ 4.03Å; F32-F91 HydrophobicContact CD1-CB 3.64Å; F32-F91 AromaticContact CD1-CD1 3.64Å; F32-F91 HydrophobicContact CD1-CD1 3.64Å; F32-F91 HydrophobicContact CD1-CD2 4.49Å; F32-F91 HydrophobicContact CD1-CE1 4.45Å; F32-F91 AromaticContact CD1-CG 3.64Å; F32-F91 HydrophobicContact CD1-CG 3.64Å; F32-F91 HydrophobicContact CD2-CB 4.16Å; F32-F91 HydrophobicContact CD2-CD1 4.24Å; F32-F91 AromaticContact CD2-CD2 3.8Å; F32-F91 HydrophobicContact CD2-CD2 3.8Å; F32-F91 HydrophobicContact CD2-CE2 4.22Å; F32-F91 AromaticContact CD2-CG 3.77Å; F32-F91 HydrophobicContact CD2-CG 3.77Å; F32-F91 HydrophobicContact CE1-CB 3.45Å; F32-F91 VanDerWaalsContact CE1-CB 3.45Å; F32-F91 HydrophobicContact CE1-CD1 4.36Å; F32-F91 AromaticContact CE1-CG 3.97Å; F32-F91 HydrophobicContact CE1-CG 3.97Å; F32-F91 HydrophobicContact CE2-CB 3.97Å; F32-F91 HydrophobicContact CE2-CD2 4.14Å; F32-F91 HydrophobicContact CE2-CG 4.07Å; F32-F91 HydrophobicContact CG-CB 4.01Å; F32-F91 AromaticContact CG-CD1 3.58Å; F32-F91 HydrophobicContact CG-CD1 3.58Å; F32-F91 HydrophobicContact CG-CD2 4Å; F32-F91 HydrophobicContact CG-CE1 4.01Å; F32-F91 HydrophobicContact CG-CE2 4.36Å; F32-F91 AromaticContact CG-CG 3.55Å; F32-F91 HydrophobicContact CG-CG 3.55Å; F32-F91 HydrophobicContact CG-CZ 4.35Å; F32-F91 HydrophobicContact CZ-CB 3.63Å; F32-F91 HydrophobicContact CZ-CG 4.18Å
33I98.5Very high97.2Very high13 Ų1372.7 Ų72.77%0.06739%0.387CS..Hα-helixtrans-54.8-43.2176.6-73161.9000111V29 E30 T31 T35 V36 Y47 L67 L84 F85 V88V29-I33 HydrophobicContact CG1-CD1 4.1Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 3.32Å; E30-I33 WeakPolarHBondContact O-CB 3.2Å; E30-I33 PolarHBondContact O-N 3.06Å; E30-I33 VanDerWaalsContact O-N 3.16Å; T31-I33 PolarHBondContact O-N 2.88Å; I33-T35 PolarHBondContact O-N 2.95Å; I33-V36 PolarHBondContact O-N 3.17Å; I33-Y47 HydrophobicContact CB-CE1 4.26Å; I33-Y47 HydrophobicContact CD1-CD1 4.28Å; I33-Y47 HydrophobicContact CD1-CD2 4.25Å; I33-Y47 HydrophobicContact CD1-CE1 3.88Å; I33-Y47 HydrophobicContact CD1-CE2 3.84Å; I33-Y47 HydrophobicContact CD1-CG 4.46Å; I33-Y47 HydrophobicContact CG2-CD1 4.02Å; I33-Y47 HydrophobicContact CG2-CE1 3.49Å; I33-Y47 VanDerWaalsContact CG2-CE1 3.49Å; I33-L67 HydrophobicContact CD1-CD1 4.37Å; I33-L67 HydrophobicContact CD1-CD2 4.29Å; I33-L84 HydrophobicContact CG2-CD2 4.17Å; I33-F85 HydrophobicContact CD1-CE1 3.98Å; I33-F85 HydrophobicContact CG1-CE1 4.32Å; I33-V88 HydrophobicContact CD1-CG2 4.37Å; I33-V88 HydrophobicContact CG1-CG1 4.31Å; I33-V88 HydrophobicContact CG1-CG2 3.52Å
34E97.1Very high97.2Very high156 Ų15669.9 Ų69.973%0.72937%0.373SS*.Hα-helixtrans-65.7-23178.4-65.4177.1172.200113.6E30 T31 F32E30-E34 PolarHBondContact O-N 3.3Å; T31-E34 PolarHBondContact O-N 3.34Å; F32-E34 PolarHBondContact O-N 2.77Å
35T96.7Very high97.2Very high84 Ų8466.4 Ų66.452%0.51535%0.351SS..Hα-helixtrans-82.7-19.617867.70000113.9T31 F32 I33 Q37T31-T35 WeakPolarHBondContact O-CG2 3.45Å; T31-T35 PolarHBondContact O-N 2.91Å; F32-T35 PolarHBondContact O-N 2.85Å; F32-T35 PolarHBondContact O-OG1 2.8Å; I33-T35 PolarHBondContact O-N 2.95Å; T35-Q37 PolarHBondContact O-N 3.28Å
36V97.3Very high97.2Very high15 Ų1569.5 Ų69.59%0.09137%0.37CS..SBendtrans-70.5116.4-176.7-178.90000109.4F32 I33 L84 H87F32-V36 HydrophobicContact CD1-CG2 4.18Å; F32-V36 HydrophobicContact CE1-CG2 3.65Å; F32-V36 HydrophobicContact CZ-CG2 4.06Å; F32-V36 PolarHBondContact O-N 2.83Å; I33-V36 PolarHBondContact O-N 3.17Å; V36-L84 HydrophobicContact CB-CG 4.27Å; V36-L84 HydrophobicContact CG1-CG 4.01Å; V36-H87 HydrophobicContact CG1-CB 4.1Å; V36-H87 HydrophobicContact CG2-CB 3.82Å
37Q95.8Very high97.2Very high148 Ų14871 Ų7169%0.69237%0.374SS*.PPolyproline II helixtrans-63.3129.9174.2-66.1-57.2-61.500110T35 F83T35-Q37 PolarHBondContact O-N 3.28Å; Q37-F83 WeakPolarHBondContact O-CE1 3.4Å
38P97.5Very high97.2Very high63 Ų6369.5 Ų69.541%0.40937%0.368SS..PPolyproline II helixtrans-61.7146.7177.5-24.834.7000112.6L40 A43P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 WeakPolarHBondContact CB-O 3.38Å; P38-L40 PolarHBondContact O-N 2.99Å; P38-A43 HydrophobicContact CB-CB 4.39Å
39L98.3Very high97.2Very high11 Ų1167.9 Ų67.96%0.05836%0.359CS..SBendtrans-59.5-37.6175.1179.964.9000112.5T79 F83 L201 F215 F217L39-T79 HydrophobicContact CD2-CG2 3.68Å; L39-F83 HydrophobicContact CB-CB 4.13Å; L39-F83 HydrophobicContact CB-CD1 3.7Å; L39-F83 HydrophobicContact CB-CD2 4.42Å; L39-F83 HydrophobicContact CB-CE1 4.18Å; L39-F83 HydrophobicContact CB-CG 3.83Å; L39-F83 HydrophobicContact CD1-CD2 3.87Å; L39-F83 HydrophobicContact CD1-CE2 3.97Å; L39-F83 HydrophobicContact CD1-CG 4.15Å; L39-F83 HydrophobicContact CD1-CZ 4.35Å; L39-F83 HydrophobicContact CD2-CB 4.25Å; L39-F83 HydrophobicContact CD2-CG 4.47Å; L39-F83 HydrophobicContact CG-CG 4.37Å; L39-L201 HydrophobicContact CD1-CD1 4.27Å; L39-L201 HydrophobicContact CD2-CD1 3.9Å; L39-F215 HydrophobicContact CD1-CE1 4.01Å; L39-F215 HydrophobicContact CD1-CZ 4.16Å; L39-F217 HydrophobicContact CD1-CB 3.73Å; L39-F217 HydrophobicContact CD1-CD1 3.69Å; L39-F217 HydrophobicContact CD1-CD2 4.35Å; L39-F217 HydrophobicContact CD1-CE1 4.4Å; L39-F217 HydrophobicContact CD1-CG 3.65Å; L39-F217 HydrophobicContact CD2-CD1 4.43Å; L39-F217 HydrophobicContact CD2-CE1 4.42Å; L39-F217 HydrophobicContact CG-CD1 3.93Å; L39-F217 HydrophobicContact CG-CE1 4.39Å; L39-F217 HydrophobicContact CG-CG 4.41Å
40L97.1Very high97.2Very high42 Ų4269.1 Ų69.122%0.2237%0.366CS..SBendtrans-123.2139.6175-59.5179.3000108.5P38 N42 A43 P75 L76 F217P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 WeakPolarHBondContact CB-O 3.38Å; P38-L40 PolarHBondContact O-N 2.99Å; L40-N42 PolarHBondContact O-N 2.93Å; L40-A43 HydrophobicContact CB-CB 4.27Å; L40-A43 WeakPolarHBondContact O-CB 3.31Å; L40-A43 PolarHBondContact O-N 2.72Å; L40-P75 HydrophobicContact CD1-CB 4.47Å; L40-L76 HydrophobicContact CD1-CB 4.11Å; L40-L76 HydrophobicContact CD1-CD1 4.25Å; L40-L76 HydrophobicContact CD1-CG 4.44Å; L40-F217 HydrophobicContact CD2-CD1 4.09Å; L40-F217 HydrophobicContact CD2-CE1 4.32Å
41P93.1Very high97.2Very high122 Ų12266.2 Ų66.279%0.79236%0.356SS*.THydrogen-bonded Turntrans-54.4-31.8-174-29.535.1000115.7
42N92.2Very high97Very high149 Ų14966 Ų6680%0.79736%0.356SS*.THydrogen-bonded Turntrans-10921.2-177-57.9-25.4000112.6L40 E44L40-N42 PolarHBondContact O-N 2.93Å; N42-E44 PolarHBondContact O-N 2.84Å
43A96.3Very high96.9Very high23 Ų2372 Ų7219%0.1938%0.384CS..  trans-71.6119.5178.800000110.9P38 L40 C80P38-A43 HydrophobicContact CB-CB 4.39Å; L40-A43 HydrophobicContact CB-CB 4.27Å; L40-A43 WeakPolarHBondContact O-CB 3.31Å; L40-A43 PolarHBondContact O-N 2.72Å; A43-C80 HydrophobicContact CB-CB 3.99Å
44E96.3Very high96.8Very high116 Ų11672.1 Ų72.154%0.54239%0.389SS..  trans-99.183.8175-66.7-177-159.900110.6N42N42-E44 PolarHBondContact O-N 2.84Å
45I98.5Very high96.8Very high25 Ų2565.6 Ų65.613%0.12836%0.36CS..EExtended strand (participates in β ladder)trans-105.8127.8170.4-53.3-57000108.5I69 Y70 R77 C80 A81 F85 I115I45-I69 HydrophobicContact CG2-CG2 3.73Å; I45-Y70 WeakPolarHBondContact CA-O 3.5Å; I45-Y70 WeakPolarHBondContact CG2-O 3.38Å; I45-R77 HydrophobicContact CD1-CG 4.26Å; I45-R77 WeakPolarHBondContact CD1-O 3.42Å; I45-C80 HydrophobicContact CD1-CB 4.1Å; I45-C80 HydrophobicContact CG1-CB 3.83Å; I45-A81 HydrophobicContact CD1-CB 4.17Å; I45-A81 HydrophobicContact CG1-CB 4.42Å; I45-A81 HydrophobicContact CG2-CB 4.04Å; I45-F85 HydrophobicContact CG2-CD2 4.33Å; I45-F85 HydrophobicContact CG2-CE2 3.74Å; I45-I115 HydrophobicContact CD1-CD1 4.4Å
46T98.3Very high96.6Very high84 Ų8466.2 Ų66.252%0.51536%0.355SS..EExtended strand (participates in β ladder)trans-121.5167.1179.359.40000110.4Y70T46-Y70 PolarHBondContact N-O 3.33Å; T46-Y70 PolarHBondContact O-N 3.1Å
47Y98.6Very high95.8Very high59 Ų5967.5 Ų67.523%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-143.1165.9177.469.4-79.4000112.4E30 I33 L67 L68 F85E30-Y47 HydrophobicContact CG-CE2 4.36Å; E30-Y47 WeakPolarHBondContact CG-OH 3.42Å; I33-Y47 HydrophobicContact CB-CE1 4.26Å; I33-Y47 HydrophobicContact CD1-CD1 4.28Å; I33-Y47 HydrophobicContact CD1-CD2 4.25Å; I33-Y47 HydrophobicContact CD1-CE1 3.88Å; I33-Y47 HydrophobicContact CD1-CE2 3.84Å; I33-Y47 HydrophobicContact CD1-CG 4.46Å; I33-Y47 HydrophobicContact CG2-CD1 4.02Å; I33-Y47 HydrophobicContact CG2-CE1 3.49Å; I33-Y47 VanDerWaalsContact CG2-CE1 3.49Å; Y47-L67 HydrophobicContact CD2-CD2 3.51Å; Y47-L67 HydrophobicContact CE2-CD2 3.96Å; Y47-L67 HydrophobicContact CG-CD2 4.36Å; Y47-L68 CarbonylContact C-O 3.51Å; Y47-L68 WeakPolarHBondContact CA-O 3.4Å; Y47-L68 WeakPolarHBondContact CB-O 3.44Å; Y47-F85 HydrophobicContact CD1-CE1 4.32Å; Y47-F85 AromaticContact CD1-CZ 3.82Å; Y47-F85 HydrophobicContact CD1-CZ 3.82Å; Y47-F85 HydrophobicContact CG-CE1 4.12Å; Y47-F85 AromaticContact CG-CZ 3.86Å; Y47-F85 HydrophobicContact CG-CZ 3.86Å
48K98.4Very high94.9Very high106 Ų10667.8 Ų67.846%0.46138%0.376SS..EExtended strand (participates in β ladder)trans-128126.7163.4-64.6177.1-174.9159.90108.6V50 L68 Y70K48-V50 HydrophobicContact CB-CG1 4.14Å; K48-L68 HydrophobicContact CB-CB 4.49Å; K48-L68 PolarHBondContact N-O 3.15Å; K48-L68 PolarHBondContact O-N 3.09Å; K48-Y70 HydrophobicContact CB-CE2 4.12Å; K48-Y70 HydrophobicContact CD-CE2 3.98Å; K48-Y70 HydrophobicContact CG-CE2 3.85Å
49L98.4Very high93.9Very high44 Ų4467.3 Ų67.323%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-83.4123.5166175.460.3000108.5L26 H65 Y66 L67 F120L26-L49 HydrophobicContact CB-CD2 4.03Å; L26-L49 HydrophobicContact CD1-CD2 4.3Å; L26-L49 HydrophobicContact CD2-CD1 4.47Å; L26-L49 HydrophobicContact CD2-CD2 4.02Å; L26-L49 HydrophobicContact CG-CD2 4.33Å; L49-H65 HydrophobicContact CD1-CB 4.24Å; L49-Y66 WeakPolarHBondContact CA-O 3.44Å; L49-L67 HydrophobicContact CB-CD2 4.18Å; L49-L67 HydrophobicContact CD1-CD2 4.18Å; L49-F120 HydrophobicContact CD1-CE1 3.72Å; L49-F120 HydrophobicContact CD1-CZ 3.59Å
50V98Very high93.3Very high29 Ų2968.2 Ų68.218%0.17639%0.389CS..EExtended strand (participates in β ladder)trans-139.2156.7-177-58.10000112.2K48 V55 Y66 L68K48-V50 HydrophobicContact CB-CG1 4.14Å; V50-V55 HydrophobicContact CG2-CG1 3.76Å; V50-Y66 PolarHBondContact N-O 3.11Å; V50-Y66 PolarHBondContact O-N 2.88Å; V50-L68 HydrophobicContact CG1-CD1 4.13Å; V50-L68 HydrophobicContact CG2-CD1 3.67Å; V50-L68 HydrophobicContact CG2-CG 4.09Å
51G97.1Very high92.8Very high13 Ų1366.7 Ų66.713%0.13438%0.382CS..  trans-81.7-175.1167.800000113E53 G54G51-E53 VanDerWaalsContact C-OE2 3.3Å; G51-E53 WeakPolarHBondContact CA-OE1 3.16Å; G51-E53 WeakPolarHBondContact CA-OE2 3.5Å; G51-E53 PolarHBondContact N-OE1 3.17Å; G51-E53 PolarHBondContact O-N 3.04Å; G51-E53 VanDerWaalsContact O-N 3.17Å; G51-G54 PolarHBondContact O-N 3.32Å
52P95.7Very high92.9Very high63 Ų6369 Ų6941%0.40938%0.379SS..G310 helixtrans-56.1-29.5-179.6-2534.9000115M18 G54 Y66M18-P52 HydrophobicContact CE-CG 4.12Å; P52-G54 VanDerWaalsContact C-N 3.27Å; P52-G54 PolarHBondContact O-N 2.98Å; P52-Y66 HydrophobicContact CB-CE2 4.42Å; P52-Y66 HydrophobicContact CG-CE2 4.41Å
53E95.5Very high93.1Very high147 Ų14761.9 Ų61.969%0.68734%0.341SS*.G310 helixtrans-69.8-21.7176.573.3-64.3152.600113.6G51 V55 A108G51-E53 VanDerWaalsContact C-OE2 3.3Å; G51-E53 WeakPolarHBondContact CA-OE1 3.16Å; G51-E53 WeakPolarHBondContact CA-OE2 3.5Å; G51-E53 PolarHBondContact N-OE1 3.17Å; G51-E53 PolarHBondContact O-N 3.04Å; G51-E53 VanDerWaalsContact O-N 3.17Å; E53-V55 VanDerWaalsContact C-N 3.31Å; E53-V55 PolarHBondContact O-N 3.34Å; E53-A108 WeakPolarHBondContact O-CB 3.46Å
54G96.8Very high93.2Very high15 Ų1561 Ų6116%0.15533%0.334CS..G310 helixtrans-81.3-6.7-178.900000114.4G51 P52 A108G51-G54 PolarHBondContact O-N 3.32Å; P52-G54 VanDerWaalsContact C-N 3.27Å; P52-G54 PolarHBondContact O-N 2.98Å; G54-A108 WeakPolarHBondContact O-CB 3.09Å; G54-A108 PolarHBondContact O-N 2.78Å
55V96.4Very high93.3Very high20 Ų2056.4 Ų56.412%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-127.1153.5-174.7-540000112.6V50 E53 T60 Y66 L68 M105 K106V50-V55 HydrophobicContact CG2-CG1 3.76Å; E53-V55 VanDerWaalsContact C-N 3.31Å; E53-V55 PolarHBondContact O-N 3.34Å; V55-T60 HydrophobicContact CG2-CG2 4.31Å; V55-Y66 HydrophobicContact CG1-CD1 4.3Å; V55-Y66 HydrophobicContact CG1-CD2 3.97Å; V55-Y66 HydrophobicContact CG1-CG 3.76Å; V55-Y66 HydrophobicContact CG2-CD1 4.39Å; V55-Y66 HydrophobicContact CG2-CD2 3.94Å; V55-Y66 HydrophobicContact CG2-CE1 4.21Å; V55-Y66 HydrophobicContact CG2-CE2 3.8Å; V55-Y66 HydrophobicContact CG2-CG 4.22Å; V55-L68 HydrophobicContact CG1-CD1 4.25Å; V55-L68 HydrophobicContact CG1-CD2 3.94Å; V55-L68 HydrophobicContact CG1-CG 4.27Å; V55-M105 HydrophobicContact CB-CG 4.11Å; V55-M105 HydrophobicContact CB-SD 4.3Å; V55-M105 HydrophobicContact CG1-CG 4.26Å; V55-M105 HydrophobicContact CG1-SD 3.88Å; V55-K106 CarbonylContact C-O 3.6Å; V55-K106 WeakPolarHBondContact CA-O 3.32Å
56K93.5Very high93.3Very high97 Ų9755.6 Ų55.642%0.42231%0.307SS..EExtended strand (participates in β ladder)trans-143.4168.2171.568-173-179.9-161.90110K106 P107 A108K56-K106 HydrophobicContact CG-CB 4.08Å; K56-K106 PolarHBondContact N-O 3.25Å; K56-K106 PolarHBondContact O-N 2.72Å; K56-K106 VanDerWaalsContact O-O 3.07Å; K56-P107 VanDerWaalsContact CE-O 3.23Å; K56-P107 WeakPolarHBondContact CE-O 3.26Å; K56-A108 PolarHBondContact NZ-O 3.35Å
57G81.1Confident93.3Very high42 Ų4251.6 Ų51.643%0.43328%0.283SS..  trans126.6150.6172.300000113.6G59 T60G57-G59 PolarHBondContact O-N 3.17Å; G57-T60 PolarHBondContact O-OG1 2.93Å
58I75Confident93.3Very high153 Ų15348.9 Ų48.979%0.78527%0.272SS*.THydrogen-bonded Turntrans-66.1131.1-175.9-61.7173.1000110.1T60I58-T60 PolarHBondContact O-N 2.62Å
59G77.6Confident93.3Very high54 Ų5443.9 Ų43.956%0.55725%0.251SS*.THydrogen-bonded Turntrans74.510.4174.200000115.1G57 P61G57-G59 PolarHBondContact O-N 3.17Å; G59-P61 WeakPolarHBondContact O-CD 3.3Å
60T84.9Confident93.3Very high29 Ų2942.3 Ų42.318%0.17824%0.242CC..  trans-61.9120.5170.8-54.50000109V55 G57 I58 Y66 M105V55-T60 HydrophobicContact CG2-CG2 4.31Å; G57-T60 PolarHBondContact O-OG1 2.93Å; I58-T60 PolarHBondContact O-N 2.62Å; T60-Y66 HydrophobicContact CG2-CE1 4.04Å; T60-M105 HydrophobicContact CG2-CB 4.35Å; T60-M105 HydrophobicContact CG2-CE 3.51Å; T60-M105 HydrophobicContact CG2-CG 4.01Å; T60-M105 HydrophobicContact CG2-SD 4.48Å
61P88.1Confident93.3Very high11 Ų1141 Ų417%0.07123%0.234CC..  trans-58.8143.5175.8-16.827.4000110.8R14 F16 G59 A63 Y66 V102R14-P61 HydrophobicContact CB-CB 4.38Å; R14-P61 HydrophobicContact CB-CG 4.5Å; R14-P61 HydrophobicContact CG-CG 4.35Å; F16-P61 HydrophobicContact CE2-CB 4.19Å; G59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-A63 PolarHBondContact O-N 3.25Å; P61-Y66 PolarHBondContact O-OH 3.28Å; P61-V102 HydrophobicContact CG-CG2 4.14Å
62K93.7Very high93.3Very high169 Ų16946.1 Ų46.174%0.73525%0.253SS*.  trans-73.5115.3168.5-66.9-174.1179.2-177.70108.2F16 M18F16-K62 WeakPolarHBondContact CD2-O 2.98Å; M18-K62 HydrophobicContact SD-CB 3.86Å
63A97.2Very high93.4Very high0 Ų052.3 Ų52.30%028%0.276CS..  trans-137.1154.7177.700000108.5F16 M18 P61 H65 Y66 A119F16-A63 HydrophobicContact CB-CB 4.37Å; F16-A63 HydrophobicContact CD2-CB 3.56Å; F16-A63 HydrophobicContact CE2-CB 3.94Å; F16-A63 HydrophobicContact CG-CB 3.97Å; M18-A63 WeakPolarHBondContact CE-O 3.36Å; P61-A63 PolarHBondContact O-N 3.25Å; A63-H65 VanDerWaalsContact C-N 3.29Å; A63-Y66 HydrophobicContact CB-CE1 3.9Å; A63-Y66 HydrophobicContact CB-CE2 4.42Å; A63-Y66 PolarHBondContact N-OH 3.13Å; A63-Y66 VanDerWaalsContact O-CE2 3.25Å; A63-Y66 WeakPolarHBondContact O-CE2 3.41Å; A63-Y66 PolarHBondContact O-OH 2.99Å; A63-A119 HydrophobicContact CB-CB 3.94Å
64P97.9Very high93.4Very high6 Ų647.1 Ų47.14%0.03925%0.252CS..SBendtrans-70.5-27.9178.227.7-33.1000112.2T17 F120T17-P64 WeakPolarHBondContact O-CD 3.33Å; P64-F120 WeakPolarHBondContact CD-O 3.32Å
65H98.5Very high93.5Very high18 Ų1851.3 Ų51.38%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-141.1151-174.2-63.5-66000112.9L21 L49 A63 F120L21-H65 PolarHBondContact N-NE2 3.02Å; L49-H65 HydrophobicContact CD1-CB 4.24Å; A63-H65 VanDerWaalsContact C-N 3.29Å; H65-F120 HydrophobicContact CB-CD1 3.98Å; H65-F120 HydrophobicContact CB-CD2 4.4Å; H65-F120 HydrophobicContact CB-CE1 3.45Å; H65-F120 VanDerWaalsContact CB-CE1 3.45Å; H65-F120 HydrophobicContact CB-CE2 3.96Å; H65-F120 HydrophobicContact CB-CG 4.43Å; H65-F120 HydrophobicContact CB-CZ 3.45Å; H65-F120 VanDerWaalsContact CB-CZ 3.45Å; H65-F120 PolarHBondContact N-O 2.95Å; H65-F120 PolarHBondContact O-N 2.73Å
66Y98.4Very high93.5Very high8 Ų852.5 Ų52.53%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-139.6135.1180-55.3-87.8000110.9L49 V50 P52 V55 T60 P61 A63 M105 L118 A119L49-Y66 WeakPolarHBondContact CA-O 3.44Å; V50-Y66 PolarHBondContact N-O 3.11Å; V50-Y66 PolarHBondContact O-N 2.88Å; P52-Y66 HydrophobicContact CB-CE2 4.42Å; P52-Y66 HydrophobicContact CG-CE2 4.41Å; V55-Y66 HydrophobicContact CG1-CD1 4.3Å; V55-Y66 HydrophobicContact CG1-CD2 3.97Å; V55-Y66 HydrophobicContact CG1-CG 3.76Å; V55-Y66 HydrophobicContact CG2-CD1 4.39Å; V55-Y66 HydrophobicContact CG2-CD2 3.94Å; V55-Y66 HydrophobicContact CG2-CE1 4.21Å; V55-Y66 HydrophobicContact CG2-CE2 3.8Å; V55-Y66 HydrophobicContact CG2-CG 4.22Å; T60-Y66 HydrophobicContact CG2-CE1 4.04Å; P61-Y66 PolarHBondContact O-OH 3.28Å; A63-Y66 HydrophobicContact CB-CE1 3.9Å; A63-Y66 HydrophobicContact CB-CE2 4.42Å; A63-Y66 PolarHBondContact N-OH 3.13Å; A63-Y66 VanDerWaalsContact O-CE2 3.25Å; A63-Y66 WeakPolarHBondContact O-CE2 3.41Å; A63-Y66 PolarHBondContact O-OH 2.99Å; Y66-M105 HydrophobicContact CD1-CE 3.21Å; Y66-M105 HydrophobicContact CD1-SD 3.89Å; Y66-M105 HydrophobicContact CE1-CE 3.55Å; Y66-M105 HydrophobicContact CG-CE 4.27Å; Y66-M105 HydrophobicContact CG-SD 4.44Å; Y66-L118 CarbonylContact C-O 3.58Å; Y66-L118 WeakPolarHBondContact CA-O 3.16Å; Y66-A119 HydrophobicContact CD1-CB 3.63Å; Y66-A119 HydrophobicContact CE1-CB 3.59Å
67L98.6Very high93.7Very high1 Ų150.9 Ų50.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-95.5116.6162.9-66.7168.2000108.2I33 Y47 L49 F85 V88 G117 L118 F120I33-L67 HydrophobicContact CD1-CD1 4.37Å; I33-L67 HydrophobicContact CD1-CD2 4.29Å; Y47-L67 HydrophobicContact CD2-CD2 3.51Å; Y47-L67 HydrophobicContact CE2-CD2 3.96Å; Y47-L67 HydrophobicContact CG-CD2 4.36Å; L49-L67 HydrophobicContact CB-CD2 4.18Å; L49-L67 HydrophobicContact CD1-CD2 4.18Å; L67-F85 HydrophobicContact CD1-CD1 4.03Å; L67-F85 HydrophobicContact CD1-CE1 4.1Å; L67-V88 HydrophobicContact CD1-CG1 3.85Å; L67-G117 CarbonylContact O-C 3.44Å; L67-G117 VanDerWaalsContact O-CA 3.32Å; L67-G117 WeakPolarHBondContact O-CA 3.46Å; L67-L118 HydrophobicContact CB-CB 4.29Å; L67-L118 HydrophobicContact CD1-CD2 4.34Å; L67-L118 PolarHBondContact N-O 2.91Å; L67-L118 PolarHBondContact O-N 3.32Å; L67-F120 HydrophobicContact CD1-CE1 4.44Å; L67-F120 HydrophobicContact CG-CD1 4.42Å; L67-F120 HydrophobicContact CG-CE1 3.9Å
68L98.5Very high94.6Very high2 Ų249.7 Ų49.71%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-93.8121.7169.5-64.8167.3000107.9Y47 K48 V50 V55 Y70 M105 P107 Y114Y47-L68 CarbonylContact C-O 3.51Å; Y47-L68 WeakPolarHBondContact CA-O 3.4Å; Y47-L68 WeakPolarHBondContact CB-O 3.44Å; K48-L68 HydrophobicContact CB-CB 4.49Å; K48-L68 PolarHBondContact N-O 3.15Å; K48-L68 PolarHBondContact O-N 3.09Å; V50-L68 HydrophobicContact CG1-CD1 4.13Å; V50-L68 HydrophobicContact CG2-CD1 3.67Å; V50-L68 HydrophobicContact CG2-CG 4.09Å; V55-L68 HydrophobicContact CG1-CD1 4.25Å; V55-L68 HydrophobicContact CG1-CD2 3.94Å; V55-L68 HydrophobicContact CG1-CG 4.27Å; L68-Y70 HydrophobicContact CB-CE2 3.6Å; L68-Y70 WeakPolarHBondContact CB-OH 3.5Å; L68-Y70 VanDerWaalsContact O-CD2 3.27Å; L68-Y70 WeakPolarHBondContact O-CD2 3.44Å; L68-Y70 WeakPolarHBondContact O-CE2 3.38Å; L68-M105 HydrophobicContact CD2-CG 4.36Å; L68-M105 HydrophobicContact CD2-SD 3.89Å; L68-P107 HydrophobicContact CD1-CB 3.89Å; L68-P107 HydrophobicContact CD2-CB 4.48Å; L68-Y114 HydrophobicContact CB-CE2 4.24Å; L68-Y114 HydrophobicContact CD2-CD2 4.44Å; L68-Y114 HydrophobicContact CD2-CE2 3.61Å
69I98.8Very high95.7Very high0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-107.8134-170.7-60.2155.6000109.3I45 A81 F85 W101 I115 I116I45-I69 HydrophobicContact CG2-CG2 3.73Å; I69-A81 HydrophobicContact CG2-CB 3.9Å; I69-F85 HydrophobicContact CB-CD2 4.32Å; I69-F85 HydrophobicContact CB-CE2 4.31Å; I69-F85 HydrophobicContact CD1-CB 3.64Å; I69-F85 HydrophobicContact CD1-CD1 3.8Å; I69-F85 HydrophobicContact CD1-CD2 3.58Å; I69-F85 HydrophobicContact CD1-CE1 4.42Å; I69-F85 HydrophobicContact CD1-CE2 4.23Å; I69-F85 HydrophobicContact CD1-CG 3.36Å; I69-F85 HydrophobicContact CG1-CD1 3.96Å; I69-F85 HydrophobicContact CG1-CD2 3.64Å; I69-F85 HydrophobicContact CG1-CE1 4.07Å; I69-F85 HydrophobicContact CG1-CE2 3.76Å; I69-F85 HydrophobicContact CG1-CG 3.77Å; I69-F85 HydrophobicContact CG1-CZ 4Å; I69-F85 HydrophobicContact CG2-CD2 3.68Å; I69-F85 HydrophobicContact CG2-CE2 3.64Å; I69-W101 HydrophobicContact CD1-CH2 4.28Å; I69-W101 HydrophobicContact CD1-CZ3 3.7Å; I69-I115 PolarHBondContact O-N 3.34Å; I69-I116 HydrophobicContact CB-CG2 4.24Å; I69-I116 WeakPolarHBondContact CB-O 3.39Å; I69-I116 HydrophobicContact CD1-CG2 3.9Å; I69-I116 PolarHBondContact N-O 3.05Å
70Y98.7Very high96.7Very high11 Ų1140 Ų404%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-130.6154.3-173.8-53.4-100000110.8I45 T46 K48 L68 D111 D113 Y114I45-Y70 WeakPolarHBondContact CA-O 3.5Å; I45-Y70 WeakPolarHBondContact CG2-O 3.38Å; T46-Y70 PolarHBondContact N-O 3.33Å; T46-Y70 PolarHBondContact O-N 3.1Å; K48-Y70 HydrophobicContact CB-CE2 4.12Å; K48-Y70 HydrophobicContact CD-CE2 3.98Å; K48-Y70 HydrophobicContact CG-CE2 3.85Å; L68-Y70 HydrophobicContact CB-CE2 3.6Å; L68-Y70 WeakPolarHBondContact CB-OH 3.5Å; L68-Y70 VanDerWaalsContact O-CD2 3.27Å; L68-Y70 WeakPolarHBondContact O-CD2 3.44Å; L68-Y70 WeakPolarHBondContact O-CE2 3.38Å; Y70-D111 HydrophobicContact CD1-CB 4.21Å; Y70-D111 HydrophobicContact CE1-CB 3.74Å; Y70-D113 CarbonylContact C-O 3.47Å; Y70-D113 WeakPolarHBondContact CA-O 3.46Å; Y70-Y114 HydrophobicContact CD1-CD2 4.4Å; Y70-Y114 HydrophobicContact CE1-CD2 4.01Å; Y70-Y114 HydrophobicContact CE1-CG 4.44Å
71G98.2Very high97.4Very high2 Ų238.7 Ų38.72%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-162.2139.2170.400000110.5R77 D113G71-R77 WeakPolarHBondContact O-CD 3.41Å; G71-R77 PolarHBondContact O-NH1 2.98Å; G71-D113 PolarHBondContact N-O 3.28Å
72K97.1Very high97.9Very high120 Ų12038.1 Ų38.152%0.52218%0.183SC..  trans-71.2166169.4-67.2175.5-174.8164.10110Q74 R77K72-Q74 PolarHBondContact O-N 3.35Å; K72-Q74 VanDerWaalsContact O-N 3.15Å; K72-R77 WeakPolarHBondContact O-CD 3.3Å; K72-R77 WeakPolarHBondContact O-CG 3.28Å
73E96.4Very high98.1Very high193 Ų19330.4 Ų30.490%0.90215%0.149SC*.SBendtrans-57120172.2-174.6169.9-170.600110.8
74Q97.1Very high98.2Very high38 Ų3831.4 Ų31.418%0.17815%0.154CC..  trans-160162.2-179.968.5-176.12800110.2K72 L76 R77K72-Q74 PolarHBondContact O-N 3.35Å; K72-Q74 VanDerWaalsContact O-N 3.15Å; Q74-L76 PolarHBondContact O-N 3.23Å; Q74-R77 HydrophobicContact CG-CB 3.75Å; Q74-R77 HydrophobicContact CG-CG 4.01Å; Q74-R77 PolarHBondContact O-N 3.04Å
75P96.9Very high98.2Very high104 Ų10431.1 Ų31.168%0.67515%0.153SC*.THydrogen-bonded Turntrans-55.4132174.1-25.735.6000112.1L40 R77L40-P75 HydrophobicContact CD1-CB 4.47Å; P75-R77 PolarHBondContact O-N 3.45Å; P75-R77 VanDerWaalsContact O-N 3.1Å
76L97.7Very high98.3Very high44 Ų4430.3 Ų30.323%0.2315%0.149CC..THydrogen-bonded Turntrans54.228.1177.2-59.2-175000114.3L40 Q74 D78 T79 C80 F217 I233L40-L76 HydrophobicContact CD1-CB 4.11Å; L40-L76 HydrophobicContact CD1-CD1 4.25Å; L40-L76 HydrophobicContact CD1-CG 4.44Å; Q74-L76 PolarHBondContact O-N 3.23Å; L76-D78 PolarHBondContact O-N 3.03Å; L76-T79 CarbonylContact O-C 3.49Å; L76-T79 WeakPolarHBondContact O-CA 3.17Å; L76-T79 WeakPolarHBondContact O-CB 3.45Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-C80 PolarHBondContact O-N 3.31Å; L76-C80 PolarHBondContact O-SG 2.89Å; L76-F217 HydrophobicContact CD1-CE1 3.86Å; L76-F217 HydrophobicContact CD1-CZ 4.32Å; L76-I233 HydrophobicContact CD1-CG2 4.13Å; L76-I233 HydrophobicContact CD2-CG2 3.98Å
77R98.4Very high98.3Very high63 Ų6330.4 Ų30.424%0.23815%0.149CC..Hα-helixtrans-41.6-58.9-176.4-174.2-169.476.1165.9-1113.9I45 G71 K72 Q74 P75 T79 C80 A81 I115I45-R77 HydrophobicContact CD1-CG 4.26Å; I45-R77 WeakPolarHBondContact CD1-O 3.42Å; G71-R77 WeakPolarHBondContact O-CD 3.41Å; G71-R77 PolarHBondContact O-NH1 2.98Å; K72-R77 WeakPolarHBondContact O-CD 3.3Å; K72-R77 WeakPolarHBondContact O-CG 3.28Å; Q74-R77 HydrophobicContact CG-CB 3.75Å; Q74-R77 HydrophobicContact CG-CG 4.01Å; Q74-R77 PolarHBondContact O-N 3.04Å; P75-R77 PolarHBondContact O-N 3.45Å; P75-R77 VanDerWaalsContact O-N 3.1Å; R77-T79 VanDerWaalsContact C-N 3.32Å; R77-T79 PolarHBondContact O-N 3.44Å; R77-C80 WeakPolarHBondContact O-CB 3.22Å; R77-C80 PolarHBondContact O-N 2.81Å; R77-A81 PolarHBondContact O-N 3Å; R77-I115 HydrophobicContact CG-CD1 3.92Å
78D98.4Very high98.3Very high17 Ų1730.4 Ų30.49%0.09115%0.149CC..Hα-helixtrans-70.3-32.1-175.3-72.824.9000111.4L76 A81 G82 E194 L195L76-D78 PolarHBondContact O-N 3.03Å; D78-A81 PolarHBondContact O-N 3.21Å; D78-G82 PolarHBondContact O-N 2.66Å; D78-E194 HydrophobicContact CB-CB 3.64Å; D78-L195 HydrophobicContact CB-CB 4.45Å; D78-L195 WeakPolarHBondContact O-CA 3.45Å
79T98.7Very high98.3Very high1 Ų130.3 Ų30.31%0.00615%0.149CC..Hα-helixtrans-66.9-41.3173.2-57.90000111.6L39 L76 R77 A81 G82 F83 E194 V197 G198 L201L39-T79 HydrophobicContact CD2-CG2 3.68Å; L76-T79 CarbonylContact O-C 3.49Å; L76-T79 WeakPolarHBondContact O-CA 3.17Å; L76-T79 WeakPolarHBondContact O-CB 3.45Å; L76-T79 PolarHBondContact O-N 3.29Å; R77-T79 VanDerWaalsContact C-N 3.32Å; R77-T79 PolarHBondContact O-N 3.44Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.87Å; T79-G82 PolarHBondContact O-N 3.03Å; T79-F83 VanDerWaalsContact O-CB 3.3Å; T79-F83 WeakPolarHBondContact O-CB 3.47Å; T79-F83 PolarHBondContact O-N 3.02Å; T79-E194 VanDerWaalsContact CA-O 3.28Å; T79-E194 WeakPolarHBondContact CA-O 3.42Å; T79-E194 WeakPolarHBondContact CB-O 3.42Å; T79-E194 PolarHBondContact OG1-O 3.23Å; T79-V197 HydrophobicContact CG2-CG1 4.39Å; T79-G198 WeakPolarHBondContact O-CA 2.99Å; T79-L201 HydrophobicContact CG2-CD1 3.63Å
80C98.8Very high98.3Very high4 Ų430.3 Ų30.33%0.02715%0.149CC..Hα-helixtrans-61.5-42172.6-67.80000111.3A43 I45 L76 R77 F83 L84A43-C80 HydrophobicContact CB-CB 3.99Å; I45-C80 HydrophobicContact CD1-CB 4.1Å; I45-C80 HydrophobicContact CG1-CB 3.83Å; L76-C80 PolarHBondContact O-N 3.31Å; L76-C80 PolarHBondContact O-SG 2.89Å; R77-C80 WeakPolarHBondContact O-CB 3.22Å; R77-C80 PolarHBondContact O-N 2.81Å; C80-F83 PolarHBondContact O-N 2.89Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 3.42Å
81A98.8Very high98.3Very high0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-63-47.9176.200000112.2I45 I69 R77 D78 T79 F83 L84 F85 I115I45-A81 HydrophobicContact CD1-CB 4.17Å; I45-A81 HydrophobicContact CG1-CB 4.42Å; I45-A81 HydrophobicContact CG2-CB 4.04Å; I69-A81 HydrophobicContact CG2-CB 3.9Å; R77-A81 PolarHBondContact O-N 3Å; D78-A81 PolarHBondContact O-N 3.21Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.87Å; A81-F83 VanDerWaalsContact C-N 3.32Å; A81-F83 PolarHBondContact O-N 3.45Å; A81-L84 PolarHBondContact O-N 3.21Å; A81-F85 PolarHBondContact O-N 3.45Å; A81-I115 HydrophobicContact CB-CD1 3.89Å; A81-I115 HydrophobicContact CB-CG2 4.49Å
82G98.9Very high98.3Very high0 Ų030.1 Ų30.10%015%0.148CC..Hα-helixtrans-60.1-41.317600000112.4D78 T79 Q86D78-G82 PolarHBondContact O-N 2.66Å; T79-G82 PolarHBondContact O-N 3.03Å; G82-Q86 WeakPolarHBondContact O-CB 3.44Å; G82-Q86 PolarHBondContact O-N 2.98Å
83F98.9Very high98.3Very high7 Ų725.6 Ų25.63%0.03113%0.128CC..Hα-helixtrans-62.5-51.8177.9179.3-93.5000112.2Q37 L39 T79 C80 A81 H87 G198 L201 C202 A205 F215Q37-F83 WeakPolarHBondContact O-CE1 3.4Å; L39-F83 HydrophobicContact CB-CB 4.13Å; L39-F83 HydrophobicContact CB-CD1 3.7Å; L39-F83 HydrophobicContact CB-CD2 4.42Å; L39-F83 HydrophobicContact CB-CE1 4.18Å; L39-F83 HydrophobicContact CB-CG 3.83Å; L39-F83 HydrophobicContact CD1-CD2 3.87Å; L39-F83 HydrophobicContact CD1-CE2 3.97Å; L39-F83 HydrophobicContact CD1-CG 4.15Å; L39-F83 HydrophobicContact CD1-CZ 4.35Å; L39-F83 HydrophobicContact CD2-CB 4.25Å; L39-F83 HydrophobicContact CD2-CG 4.47Å; L39-F83 HydrophobicContact CG-CG 4.37Å; T79-F83 VanDerWaalsContact O-CB 3.3Å; T79-F83 WeakPolarHBondContact O-CB 3.47Å; T79-F83 PolarHBondContact O-N 3.02Å; C80-F83 PolarHBondContact O-N 2.89Å; A81-F83 VanDerWaalsContact C-N 3.32Å; A81-F83 PolarHBondContact O-N 3.45Å; F83-H87 AromaticContact CE1-CE1 3.65Å; F83-H87 AromaticContact CE2-CE1 3.83Å; F83-H87 AromaticContact CZ-CE1 3.51Å; F83-H87 PolarHBondContact O-ND1 3.44Å; F83-G198 VanDerWaalsContact CA-O 3.22Å; F83-G198 WeakPolarHBondContact CA-O 3.27Å; F83-G198 PolarHBondContact N-O 3.49Å; F83-L201 HydrophobicContact CD2-CB 3.77Å; F83-L201 HydrophobicContact CE2-CB 4.33Å; F83-C202 HydrophobicContact CD2-CB 4.12Å; F83-C202 WeakPolarHBondContact O-CB 3.44Å; F83-A205 HydrophobicContact CE2-CB 3.75Å; F83-A205 HydrophobicContact CZ-CB 3.94Å; F83-F215 HydrophobicContact CE2-CD1 4.41Å; F83-F215 AromaticContact CE2-CE1 3.64Å; F83-F215 HydrophobicContact CE2-CE1 3.64Å; F83-F215 AromaticContact CE2-CZ 3.81Å; F83-F215 HydrophobicContact CE2-CZ 3.81Å; F83-F215 HydrophobicContact CZ-CD1 4.13Å; F83-F215 AromaticContact CZ-CE1 3.66Å; F83-F215 HydrophobicContact CZ-CE1 3.66Å; F83-F215 HydrophobicContact CZ-CZ 4.31Å
84L98.8Very high98.3Very high20 Ų2018.3 Ų18.311%0.10510%0.099CC..Hα-helixtrans-65-55.4-176.6-168.1167.8000110.5I33 V36 C80 A81 Q86 H87 V88I33-L84 HydrophobicContact CG2-CD2 4.17Å; V36-L84 HydrophobicContact CB-CG 4.27Å; V36-L84 HydrophobicContact CG1-CG 4.01Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 3.42Å; A81-L84 PolarHBondContact O-N 3.21Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 PolarHBondContact O-N 3.44Å; L84-H87 WeakPolarHBondContact O-CB 3.22Å; L84-H87 PolarHBondContact O-N 3.47Å; L84-V88 HydrophobicContact CD2-CG2 4.13Å; L84-V88 PolarHBondContact O-N 2.87Å
85F98.8Very high98.3Very high1 Ų120.8 Ų20.80%0.00411%0.11CC..Hα-helixtrans-77.3-10.6-172.3-73.7-82.5000113.8I33 I45 Y47 L67 I69 A81 V88 D89 W101I33-F85 HydrophobicContact CD1-CE1 3.98Å; I33-F85 HydrophobicContact CG1-CE1 4.32Å; I45-F85 HydrophobicContact CG2-CD2 4.33Å; I45-F85 HydrophobicContact CG2-CE2 3.74Å; Y47-F85 HydrophobicContact CD1-CE1 4.32Å; Y47-F85 AromaticContact CD1-CZ 3.82Å; Y47-F85 HydrophobicContact CD1-CZ 3.82Å; Y47-F85 HydrophobicContact CG-CE1 4.12Å; Y47-F85 AromaticContact CG-CZ 3.86Å; Y47-F85 HydrophobicContact CG-CZ 3.86Å; L67-F85 HydrophobicContact CD1-CD1 4.03Å; L67-F85 HydrophobicContact CD1-CE1 4.1Å; I69-F85 HydrophobicContact CB-CD2 4.32Å; I69-F85 HydrophobicContact CB-CE2 4.31Å; I69-F85 HydrophobicContact CD1-CB 3.64Å; I69-F85 HydrophobicContact CD1-CD1 3.8Å; I69-F85 HydrophobicContact CD1-CD2 3.58Å; I69-F85 HydrophobicContact CD1-CE1 4.42Å; I69-F85 HydrophobicContact CD1-CE2 4.23Å; I69-F85 HydrophobicContact CD1-CG 3.36Å; I69-F85 HydrophobicContact CG1-CD1 3.96Å; I69-F85 HydrophobicContact CG1-CD2 3.64Å; I69-F85 HydrophobicContact CG1-CE1 4.07Å; I69-F85 HydrophobicContact CG1-CE2 3.76Å; I69-F85 HydrophobicContact CG1-CG 3.77Å; I69-F85 HydrophobicContact CG1-CZ 4Å; I69-F85 HydrophobicContact CG2-CD2 3.68Å; I69-F85 HydrophobicContact CG2-CE2 3.64Å; A81-F85 PolarHBondContact O-N 3.45Å; F85-V88 HydrophobicContact CD1-CB 4.27Å; F85-V88 HydrophobicContact CD1-CG2 3.91Å; F85-V88 HydrophobicContact CE1-CG2 4.4Å; F85-V88 WeakPolarHBondContact O-CB 3.48Å; F85-V88 PolarHBondContact O-N 2.94Å; F85-D89 PolarHBondContact O-N 3.23Å; F85-W101 HydrophobicContact CB-CH2 3.45Å; F85-W101 VanDerWaalsContact CB-CH2 3.45Å; F85-W101 HydrophobicContact CB-CZ2 4.11Å; F85-W101 HydrophobicContact CB-CZ3 4.17Å
86Q98.9Very high98.3Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-74.1-30.8165.7-172.958.626.700112.4G82 L84 V88 D89 L90 W101 I199 C202 H203G82-Q86 WeakPolarHBondContact O-CB 3.44Å; G82-Q86 PolarHBondContact O-N 2.98Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 PolarHBondContact O-N 3.44Å; Q86-V88 PolarHBondContact O-N 3.05Å; Q86-D89 PolarHBondContact NE2-OD2 3.19Å; Q86-D89 PolarHBondContact O-N 3.31Å; Q86-D89 PolarHBondContact OE1-OD2 3.33Å; Q86-L90 WeakPolarHBondContact O-CG 3.16Å; Q86-L90 PolarHBondContact O-N 3.12Å; Q86-W101 HydrophobicContact CB-CZ2 4.25Å; Q86-I199 HydrophobicContact CB-CB 4.27Å; Q86-I199 HydrophobicContact CB-CG1 4.13Å; Q86-I199 HydrophobicContact CB-CG2 4.2Å; Q86-I199 HydrophobicContact CG-CB 4.19Å; Q86-I199 HydrophobicContact CG-CG1 4.45Å; Q86-I199 HydrophobicContact CG-CG2 3.6Å; Q86-C202 VanDerWaalsContact C-SG 3.56Å; Q86-C202 HydrophobicContact CB-CB 3.71Å; Q86-C202 HydrophobicContact CG-CB 3.89Å; Q86-H203 PolarHBondContact NE2-NE2 2.93Å; Q86-H203 VanDerWaalsContact NE2-NE2 3.18Å
87H98.7Very high98.3Very high11 Ų1118.7 Ų18.75%0.05110%0.103CC..Hα-helixtrans-61.1-39.4168-70.985.2000109.9F32 V36 F83 L84 L90 F91 C202F32-H87 HydrophobicContact CE1-CB 4Å; F32-H87 WeakPolarHBondContact CE1-O 3.43Å; F32-H87 HydrophobicContact CZ-CB 4.16Å; V36-H87 HydrophobicContact CG1-CB 4.1Å; V36-H87 HydrophobicContact CG2-CB 3.82Å; F83-H87 AromaticContact CE1-CE1 3.65Å; F83-H87 AromaticContact CE2-CE1 3.83Å; F83-H87 AromaticContact CZ-CE1 3.51Å; F83-H87 PolarHBondContact O-ND1 3.44Å; L84-H87 WeakPolarHBondContact O-CB 3.22Å; L84-H87 PolarHBondContact O-N 3.47Å; H87-L90 PolarHBondContact O-N 2.89Å; H87-F91 VanDerWaalsContact O-CB 3.31Å; H87-F91 WeakPolarHBondContact O-CB 3.44Å; H87-F91 PolarHBondContact O-N 2.94Å; H87-C202 PolarHBondContact CE1-SG 2.98Å; H87-C202 VanDerWaalsContact CG-SG 3.57Å; H87-C202 PolarHBondContact N-SG 2.91Å; H87-C202 VanDerWaalsContact N-SG 3.37Å; H87-C202 PolarHBondContact ND1-SG 2.67Å
88V98.7Very high98.2Very high0 Ų015.8 Ų15.80%09%0.092CC..Hα-helixtrans-66.1-42.1176.6-172.70000111.6V29 F32 I33 L67 L84 F85 Q86 L90 F91 L92V29-V88 HydrophobicContact CG1-CG1 4.13Å; F32-V88 HydrophobicContact CD1-CG2 4.29Å; F32-V88 HydrophobicContact CE1-CG2 4.35Å; I33-V88 HydrophobicContact CD1-CG2 4.37Å; I33-V88 HydrophobicContact CG1-CG1 4.31Å; I33-V88 HydrophobicContact CG1-CG2 3.52Å; L67-V88 HydrophobicContact CD1-CG1 3.85Å; L84-V88 HydrophobicContact CD2-CG2 4.13Å; L84-V88 PolarHBondContact O-N 2.87Å; F85-V88 HydrophobicContact CD1-CB 4.27Å; F85-V88 HydrophobicContact CD1-CG2 3.91Å; F85-V88 HydrophobicContact CE1-CG2 4.4Å; F85-V88 WeakPolarHBondContact O-CB 3.48Å; F85-V88 PolarHBondContact O-N 2.94Å; Q86-V88 PolarHBondContact O-N 3.05Å; V88-L90 PolarHBondContact O-N 3.27Å; V88-F91 PolarHBondContact O-N 3.36Å; V88-L92 HydrophobicContact CG1-CD1 4.14Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 3.02Å
89D98.7Very high98.2Very high1 Ų115 Ų151%0.0059%0.088CC..Hα-helixtrans-58.6-46173.2172.244.5000112R10 F85 Q86 F93 S99R10-D89 WeakPolarHBondContact CD-OD1 3.18Å; R10-D89 WeakPolarHBondContact CD-OD2 3.41Å; R10-D89 IonicContact CZ-OD1 3.84Å; R10-D89 IonicContact CZ-OD2 2.87Å; R10-D89 IonicContact NE-OD1 3.05Å; R10-D89 IonicContact NE-OD2 3.01Å; R10-D89 PolarHBondContact NE-OD2 3.31Å; R10-D89 IonicContact NH1-OD1 3.76Å; R10-D89 PolarHBondContact NH1-OD1 3.13Å; R10-D89 IonicContact NH1-OD2 2.78Å; R10-D89 PolarHBondContact NH1-OD2 3.42Å; R10-D89 IonicContact NH2-OD2 2.72Å; R10-D89 PolarHBondContact NH2-OD2 2.98Å; F85-D89 PolarHBondContact O-N 3.23Å; Q86-D89 PolarHBondContact NE2-OD2 3.19Å; Q86-D89 PolarHBondContact O-N 3.31Å; Q86-D89 PolarHBondContact OE1-OD2 3.33Å; D89-F93 PolarHBondContact O-N 3.47Å; D89-F93 VanDerWaalsContact O-N 3.14Å; D89-S99 VanDerWaalsContact CG-OG 3.28Å; D89-S99 WeakPolarHBondContact OD1-CB 3.36Å; D89-S99 PolarHBondContact OD1-OG 2.87Å
90L98.7Very high98.1Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-66.1-39.2176.4-66.4175.2000111.6L3 I7 Q86 H87 V88 F93 S94 V206L3-L90 HydrophobicContact CB-CB 4.31Å; L3-L90 HydrophobicContact CD2-CB 4.19Å; I7-L90 HydrophobicContact CD1-CD1 4.35Å; I7-L90 HydrophobicContact CG1-CD1 3.91Å; I7-L90 HydrophobicContact CG1-CD2 3.93Å; Q86-L90 WeakPolarHBondContact O-CG 3.16Å; Q86-L90 PolarHBondContact O-N 3.12Å; H87-L90 PolarHBondContact O-N 2.89Å; V88-L90 PolarHBondContact O-N 3.27Å; L90-F93 PolarHBondContact O-N 3.01Å; L90-S94 PolarHBondContact O-N 3.27Å; L90-V206 HydrophobicContact CD1-CG2 4.02Å
91F98.4Very high98.1Very high8 Ų819.1 Ų19.14%0.03510%0.103CC..Hα-helixtrans-61.7-52.5175.9167-116.8000111.5M1 L3 D28 V29 F32 H87 V88 F93 S94 Q95M1-F91 HydrophobicContact CE-CD2 3.44Å; M1-F91 VanDerWaalsContact CE-CD2 3.44Å; M1-F91 HydrophobicContact CE-CE2 3.2Å; M1-F91 HydrophobicContact CE-CZ 4.35Å; M1-F91 HydrophobicContact SD-CD2 3.27Å; M1-F91 WeakPolarHBondContact SD-CD2 3.46Å; M1-F91 HydrophobicContact SD-CE2 3.75Å; M1-F91 HydrophobicContact SD-CG 4.32Å; L3-F91 HydrophobicContact CD2-CB 4.1Å; D28-F91 HydrophobicContact CB-CZ 4.49Å; V29-F91 HydrophobicContact CB-CE1 4.41Å; V29-F91 HydrophobicContact CG2-CE1 3.93Å; F32-F91 HydrophobicContact CB-CD1 3.76Å; F32-F91 HydrophobicContact CB-CE1 3.69Å; F32-F91 HydrophobicContact CB-CE2 4.46Å; F32-F91 HydrophobicContact CB-CG 4.18Å; F32-F91 HydrophobicContact CB-CZ 4.03Å; F32-F91 HydrophobicContact CD1-CB 3.64Å; F32-F91 AromaticContact CD1-CD1 3.64Å; F32-F91 HydrophobicContact CD1-CD1 3.64Å; F32-F91 HydrophobicContact CD1-CD2 4.49Å; F32-F91 HydrophobicContact CD1-CE1 4.45Å; F32-F91 AromaticContact CD1-CG 3.64Å; F32-F91 HydrophobicContact CD1-CG 3.64Å; F32-F91 HydrophobicContact CD2-CB 4.16Å; F32-F91 HydrophobicContact CD2-CD1 4.24Å; F32-F91 AromaticContact CD2-CD2 3.8Å; F32-F91 HydrophobicContact CD2-CD2 3.8Å; F32-F91 HydrophobicContact CD2-CE2 4.22Å; F32-F91 AromaticContact CD2-CG 3.77Å; F32-F91 HydrophobicContact CD2-CG 3.77Å; F32-F91 HydrophobicContact CE1-CB 3.45Å; F32-F91 VanDerWaalsContact CE1-CB 3.45Å; F32-F91 HydrophobicContact CE1-CD1 4.36Å; F32-F91 AromaticContact CE1-CG 3.97Å; F32-F91 HydrophobicContact CE1-CG 3.97Å; F32-F91 HydrophobicContact CE2-CB 3.97Å; F32-F91 HydrophobicContact CE2-CD2 4.14Å; F32-F91 HydrophobicContact CE2-CG 4.07Å; F32-F91 HydrophobicContact CG-CB 4.01Å; F32-F91 AromaticContact CG-CD1 3.58Å; F32-F91 HydrophobicContact CG-CD1 3.58Å; F32-F91 HydrophobicContact CG-CD2 4Å; F32-F91 HydrophobicContact CG-CE1 4.01Å; F32-F91 HydrophobicContact CG-CE2 4.36Å; F32-F91 AromaticContact CG-CG 3.55Å; F32-F91 HydrophobicContact CG-CG 3.55Å; F32-F91 HydrophobicContact CG-CZ 4.35Å; F32-F91 HydrophobicContact CZ-CB 3.63Å; F32-F91 HydrophobicContact CZ-CG 4.18Å; H87-F91 VanDerWaalsContact O-CB 3.31Å; H87-F91 WeakPolarHBondContact O-CB 3.44Å; H87-F91 PolarHBondContact O-N 2.94Å; V88-F91 PolarHBondContact O-N 3.36Å; F91-F93 PolarHBondContact O-N 2.99Å; F91-S94 WeakPolarHBondContact O-CA 3.25Å; F91-S94 WeakPolarHBondContact O-CB 3.21Å; F91-S94 PolarHBondContact O-N 3.29Å; F91-S94 PolarHBondContact O-OG 3.3Å; F91-Q95 HydrophobicContact CD2-CG 3.8Å; F91-Q95 HydrophobicContact CE1-CG 4.3Å; F91-Q95 HydrophobicContact CE2-CG 3.28Å; F91-Q95 HydrophobicContact CZ-CG 3.6Å; F91-Q95 WeakPolarHBondContact O-CG 3.12Å; F91-Q95 PolarHBondContact O-N 2.87Å
92L98Very high97.9Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-52.7-44.2177.3-75.5168.3000111V29 V88 Q95 G96 Y97 L118 F120V29-L92 HydrophobicContact CG2-CD2 3.64Å; V88-L92 HydrophobicContact CG1-CD1 4.14Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 3.02Å; L92-Q95 PolarHBondContact O-N 3.31Å; L92-G96 PolarHBondContact O-N 3.35Å; L92-Y97 HydrophobicContact CD2-CD2 4.31Å; L92-Y97 WeakPolarHBondContact O-CA 3.38Å; L92-Y97 WeakPolarHBondContact O-CB 3.43Å; L92-Y97 PolarHBondContact O-N 3.28Å; L92-L118 HydrophobicContact CD1-CD2 4.27Å; L92-F120 HydrophobicContact CD1-CB 3.77Å; L92-F120 HydrophobicContact CD1-CD2 3.94Å; L92-F120 HydrophobicContact CD1-CG 3.87Å; L92-F120 HydrophobicContact CD2-CD2 3.57Å; L92-F120 HydrophobicContact CD2-CE2 3.94Å; L92-F120 HydrophobicContact CD2-CG 4.36Å; L92-F120 HydrophobicContact CG-CD2 4.42Å
93F98Very high97.6Very high26 Ų2621.3 Ų21.311%0.11412%0.123CC..Hα-helixtrans-64.8-41.4176-172.1-102.7000113.4T9 R10 D89 L90 F91 Q95 G96 Y97 A127 S128T9-F93 WeakPolarHBondContact OG1-CE1 3.34Å; R10-F93 HydrophobicContact CB-CB 4.44Å; R10-F93 HydrophobicContact CB-CD1 3.7Å; R10-F93 HydrophobicContact CB-CD2 4.05Å; R10-F93 HydrophobicContact CB-CE1 3.86Å; R10-F93 HydrophobicContact CB-CE2 4.2Å; R10-F93 HydrophobicContact CB-CG 3.78Å; R10-F93 HydrophobicContact CB-CZ 4.09Å; R10-F93 HydrophobicContact CG-CB 3.9Å; R10-F93 HydrophobicContact CG-CD1 4.05Å; R10-F93 HydrophobicContact CG-CD2 3.65Å; R10-F93 HydrophobicContact CG-CE2 4.15Å; R10-F93 HydrophobicContact CG-CG 3.57Å; D89-F93 PolarHBondContact O-N 3.47Å; D89-F93 VanDerWaalsContact O-N 3.14Å; L90-F93 PolarHBondContact O-N 3.01Å; F91-F93 PolarHBondContact O-N 2.99Å; F93-Q95 PolarHBondContact O-N 3.11Å; F93-G96 PolarHBondContact O-N 3.27Å; F93-Y97 VanDerWaalsContact CA-O 3.27Å; F93-Y97 WeakPolarHBondContact CA-O 3.42Å; F93-A127 VanDerWaalsContact CE2-O 3.25Å; F93-A127 WeakPolarHBondContact CE2-O 3.38Å; F93-S128 WeakPolarHBondContact CZ-OG 3.27Å
94S97.1Very high97.3Very high40 Ų4027.3 Ų27.328%0.2815%0.153SC..Hα-helixtrans-61.2-24.9174.881.20000113.3L90 F91L90-S94 PolarHBondContact O-N 3.27Å; F91-S94 WeakPolarHBondContact O-CA 3.25Å; F91-S94 WeakPolarHBondContact O-CB 3.21Å; F91-S94 PolarHBondContact O-N 3.29Å; F91-S94 PolarHBondContact O-OG 3.3Å
95Q96.3Very high97.1Very high90 Ų9026.4 Ų26.442%0.42115%0.148SC..THydrogen-bonded Turntrans-91.56.2176.5-58.6-50.4-65.200113.4F91 L92 F93 Y97F91-Q95 HydrophobicContact CD2-CG 3.8Å; F91-Q95 HydrophobicContact CE1-CG 4.3Å; F91-Q95 HydrophobicContact CE2-CG 3.28Å; F91-Q95 HydrophobicContact CZ-CG 3.6Å; F91-Q95 WeakPolarHBondContact O-CG 3.12Å; F91-Q95 PolarHBondContact O-N 2.87Å; L92-Q95 PolarHBondContact O-N 3.31Å; F93-Q95 PolarHBondContact O-N 3.11Å; Q95-Y97 HydrophobicContact CB-CD2 3.81Å; Q95-Y97 HydrophobicContact CB-CE2 3.87Å
96G96Very high96.9Very high54 Ų5431.1 Ų31.156%0.55717%0.169SC*.THydrogen-bonded Turntrans85.19.2178.900000114.9L92 F93L92-G96 PolarHBondContact O-N 3.35Å; F93-G96 PolarHBondContact O-N 3.27Å
97Y97.7Very high96.9Very high50 Ų5031.4 Ų31.420%0.19617%0.17CC..  trans-95170.9173.2-54.6-61000111.2L21 T25 L92 F93 Q95L21-Y97 HydrophobicContact CD1-CD1 4.12Å; L21-Y97 HydrophobicContact CD1-CD2 4.49Å; L21-Y97 HydrophobicContact CD1-CE1 4.15Å; L21-Y97 HydrophobicContact CD1-CG 4.31Å; L21-Y97 HydrophobicContact CD2-CD1 3.73Å; L21-Y97 HydrophobicContact CD2-CE1 3.32Å; L21-Y97 HydrophobicContact CG-CE1 4.36Å; T25-Y97 HydrophobicContact CG2-CD2 4.37Å; T25-Y97 HydrophobicContact CG2-CE2 3.42Å; T25-Y97 VanDerWaalsContact CG2-CE2 3.42Å; T25-Y97 WeakPolarHBondContact CG2-OH 3.27Å; T25-Y97 PolarHBondContact OG1-OH 3.21Å; L92-Y97 HydrophobicContact CD2-CD2 4.31Å; L92-Y97 WeakPolarHBondContact O-CA 3.38Å; L92-Y97 WeakPolarHBondContact O-CB 3.43Å; L92-Y97 PolarHBondContact O-N 3.28Å; F93-Y97 VanDerWaalsContact CA-O 3.27Å; F93-Y97 WeakPolarHBondContact CA-O 3.42Å; Q95-Y97 HydrophobicContact CB-CD2 3.81Å; Q95-Y97 HydrophobicContact CB-CE2 3.87Å
98A97.8Very high96.8Very high1 Ų133 Ų331%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-124.2160.717200000110.4T13 F16 F120 G121 P123 A127T13-A98 HydrophobicContact CG2-CB 3.45Å; T13-A98 VanDerWaalsContact CG2-CB 3.45Å; F16-A98 HydrophobicContact CE1-CB 4.12Å; F16-A98 WeakPolarHBondContact CE1-O 3.43Å; A98-F120 VanDerWaalsContact O-CA 3.25Å; A98-F120 WeakPolarHBondContact O-CA 3.46Å; A98-F120 WeakPolarHBondContact O-CB 3.37Å; A98-G121 PolarHBondContact N-O 2.8Å; A98-G121 PolarHBondContact O-N 3.43Å; A98-P123 HydrophobicContact CB-CB 3.73Å; A98-P123 HydrophobicContact CB-CG 4.13Å; A98-A127 HydrophobicContact CB-CB 3.48Å; A98-A127 VanDerWaalsContact CB-CB 3.48Å
99S97.8Very high96.6Very high2 Ų241.8 Ų41.81%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-141.4165.4176.8103.30000112.9S12 D89 L118 A119S12-S99 PolarHBondContact OG-O 3.25Å; D89-S99 VanDerWaalsContact CG-OG 3.28Å; D89-S99 WeakPolarHBondContact OD1-CB 3.36Å; D89-S99 PolarHBondContact OD1-OG 2.87Å; S99-L118 WeakPolarHBondContact OG-CD1 3.29Å; S99-A119 CarbonylContact C-O 3.45Å; S99-A119 WeakPolarHBondContact CA-O 3.44Å
100R96.8Very high96.4Very high57 Ų5746.2 Ų46.222%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-148.6127.8172.2178.3173.3-173.788.812.3111.8S12 T13 R14 F16 V102 L118 A119S12-R100 WeakPolarHBondContact OG-CB 3.32Å; S12-R100 WeakPolarHBondContact OG-CG 3.49Å; T13-R100 VanDerWaalsContact O-CB 3.25Å; T13-R100 WeakPolarHBondContact O-CB 3.19Å; T13-R100 WeakPolarHBondContact O-CD 3.5Å; R14-R100 VanDerWaalsContact CZ-CZ 3.49Å; R14-R100 VanDerWaalsContact CZ-NH2 3.31Å; R14-R100 VanDerWaalsContact NE-CZ 3.26Å; F16-R100 HydrophobicContact CZ-CB 4.45Å; R100-V102 HydrophobicContact CG-CG2 4.12Å; R100-V102 WeakPolarHBondContact O-CG2 3.37Å; R100-L118 VanDerWaalsContact C-CD1 3.41Å; R100-L118 WeakPolarHBondContact O-CA 3.47Å; R100-A119 PolarHBondContact N-O 3.48Å; R100-A119 PolarHBondContact O-N 3.44Å
101W97.5Very high96.3Very high33 Ų3349.5 Ų49.513%0.12527%0.272CS..EExtended strand (participates in β ladder)trans-66.5129.7163.9-64.7101.7000111.3I69 F85 Q86 I116 L118 L195 I199I69-W101 HydrophobicContact CD1-CH2 4.28Å; I69-W101 HydrophobicContact CD1-CZ3 3.7Å; F85-W101 HydrophobicContact CB-CH2 3.45Å; F85-W101 VanDerWaalsContact CB-CH2 3.45Å; F85-W101 HydrophobicContact CB-CZ2 4.11Å; F85-W101 HydrophobicContact CB-CZ3 4.17Å; Q86-W101 HydrophobicContact CB-CZ2 4.25Å; W101-I116 HydrophobicContact CE3-CD1 3.87Å; W101-I116 HydrophobicContact CE3-CG1 4.25Å; W101-I116 HydrophobicContact CE3-CG2 3.91Å; W101-I116 HydrophobicContact CZ3-CD1 4.5Å; W101-I116 HydrophobicContact CZ3-CG2 3.6Å; W101-L118 HydrophobicContact CB-CD1 4.37Å; W101-L118 HydrophobicContact CD2-CD1 3.58Å; W101-L118 HydrophobicContact CE3-CD1 3.98Å; W101-L118 HydrophobicContact CG-CD1 3.73Å; W101-L195 HydrophobicContact CE3-CD2 4.28Å; W101-L195 HydrophobicContact CZ3-CD1 4.11Å; W101-L195 HydrophobicContact CZ3-CD2 4.37Å; W101-I199 HydrophobicContact CD2-CD1 4.26Å; W101-I199 HydrophobicContact CG-CD1 4.45Å; W101-I199 HydrophobicContact CZ2-CD1 4Å; W101-I199 HydrophobicContact CZ2-CG1 3.96Å
102V95.4Very high96.2Very high11 Ų1153.6 Ų53.67%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-130.892.6-175.2-166.10000110.8P61 R100 M104 M105 G117 A119P61-V102 HydrophobicContact CG-CG2 4.14Å; R100-V102 HydrophobicContact CG-CG2 4.12Å; R100-V102 WeakPolarHBondContact O-CG2 3.37Å; V102-M104 VanDerWaalsContact C-N 3.27Å; V102-M104 PolarHBondContact O-N 3.15Å; V102-M105 HydrophobicContact CB-CB 3.89Å; V102-M105 HydrophobicContact CB-CE 3.79Å; V102-M105 HydrophobicContact CG1-CB 3.74Å; V102-M105 HydrophobicContact CG1-CE 4.23Å; V102-M105 HydrophobicContact CG2-CE 3.75Å; V102-M105 WeakPolarHBondContact O-CB 3.5Å; V102-M105 PolarHBondContact O-N 3.26Å; V102-G117 PolarHBondContact N-O 2.99Å; V102-A119 HydrophobicContact CG2-CB 4.2Å
103G93Very high96.2Very high35 Ų3556.5 Ų56.536%0.36132%0.323SS..THydrogen-bonded Turntrans-64-25.5179.300000115.3
104M91.8Very high96.2Very high134 Ų13456.2 Ų56.266%0.6632%0.322SS*.THydrogen-bonded Turntrans-90.7-5.9-180-64.1-57.4-6600114V102V102-M104 VanDerWaalsContact C-N 3.27Å; V102-M104 PolarHBondContact O-N 3.15Å
105M94.2Very high96.3Very high0 Ų055 Ų550%031%0.312CS..  trans-68.2145.5174.4-175.1-173.6-64.600109.2V55 T60 Y66 L68 V102 Y114 A119V55-M105 HydrophobicContact CB-CG 4.11Å; V55-M105 HydrophobicContact CB-SD 4.3Å; V55-M105 HydrophobicContact CG1-CG 4.26Å; V55-M105 HydrophobicContact CG1-SD 3.88Å; T60-M105 HydrophobicContact CG2-CB 4.35Å; T60-M105 HydrophobicContact CG2-CE 3.51Å; T60-M105 HydrophobicContact CG2-CG 4.01Å; T60-M105 HydrophobicContact CG2-SD 4.48Å; Y66-M105 HydrophobicContact CD1-CE 3.21Å; Y66-M105 HydrophobicContact CD1-SD 3.89Å; Y66-M105 HydrophobicContact CE1-CE 3.55Å; Y66-M105 HydrophobicContact CG-CE 4.27Å; Y66-M105 HydrophobicContact CG-SD 4.44Å; L68-M105 HydrophobicContact CD2-CG 4.36Å; L68-M105 HydrophobicContact CD2-SD 3.89Å; V102-M105 HydrophobicContact CB-CB 3.89Å; V102-M105 HydrophobicContact CB-CE 3.79Å; V102-M105 HydrophobicContact CG1-CB 3.74Å; V102-M105 HydrophobicContact CG1-CE 4.23Å; V102-M105 HydrophobicContact CG2-CE 3.75Å; V102-M105 WeakPolarHBondContact O-CB 3.5Å; V102-M105 PolarHBondContact O-N 3.26Å; M105-Y114 VanDerWaalsContact C-OH 3.26Å; M105-Y114 WeakPolarHBondContact O-CE1 3.4Å; M105-Y114 VanDerWaalsContact O-CZ 3.27Å; M105-Y114 PolarHBondContact O-OH 3.15Å; M105-A119 HydrophobicContact CE-CB 4.12Å
106K96Very high96.3Very high101 Ų10150.9 Ų50.944%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-132.7149.9172.6-63.9-65175.5-172.30109.7V55 K56 Y114V55-K106 CarbonylContact C-O 3.6Å; V55-K106 WeakPolarHBondContact CA-O 3.32Å; K56-K106 HydrophobicContact CG-CB 4.08Å; K56-K106 PolarHBondContact N-O 3.25Å; K56-K106 PolarHBondContact O-N 2.72Å; K56-K106 VanDerWaalsContact O-O 3.07Å; K106-Y114 HydrophobicContact CD-CD1 4.11Å; K106-Y114 HydrophobicContact CD-CE1 3.87Å
107P97.5Very high96.4Very high5 Ų548.3 Ų48.33%0.03227%0.266CS..EExtended strand (participates in β ladder)trans-63.6147.2169.729.6-36.3000110.1K56 L68 K109 Y114K56-P107 VanDerWaalsContact CE-O 3.23Å; K56-P107 WeakPolarHBondContact CE-O 3.26Å; L68-P107 HydrophobicContact CD1-CB 3.89Å; L68-P107 HydrophobicContact CD2-CB 4.48Å; P107-K109 VanDerWaalsContact C-N 3.27Å; P107-K109 VanDerWaalsContact CB-O 3.24Å; P107-K109 WeakPolarHBondContact CB-O 3.46Å; P107-K109 VanDerWaalsContact CG-O 3.23Å; P107-K109 WeakPolarHBondContact CG-O 3.39Å; P107-K109 PolarHBondContact O-N 2.99Å; P107-Y114 HydrophobicContact CG-CD2 4.17Å; P107-Y114 HydrophobicContact CG-CG 4.12Å
108A96.4Very high96.4Very high45 Ų4545.9 Ų45.937%0.37226%0.257SS..SBendtrans-55.3-46.4177.100000111E53 G54 K56E53-A108 WeakPolarHBondContact O-CB 3.46Å; G54-A108 WeakPolarHBondContact O-CB 3.09Å; G54-A108 PolarHBondContact O-N 2.78Å; K56-A108 PolarHBondContact NZ-O 3.35Å
109K95.4Very high96.4Very high184 Ų18445.9 Ų45.980%0.826%0.257SS*.SBendtrans-91.2116.8166.2-174.8176.5179.9-179.70109.3P107P107-K109 VanDerWaalsContact C-N 3.27Å; P107-K109 VanDerWaalsContact CB-O 3.24Å; P107-K109 WeakPolarHBondContact CB-O 3.46Å; P107-K109 VanDerWaalsContact CG-O 3.23Å; P107-K109 WeakPolarHBondContact CG-O 3.39Å; P107-K109 PolarHBondContact O-N 2.99Å
110S95.2Very high96.5Very high94 Ų9445.8 Ų45.866%0.65726%0.256SS*.  trans-58.7143.4178.3-56.90000111.2
111D96.7Very high96.5Very high69 Ų6943 Ų4337%0.36925%0.246SC..  trans-142.9137.3-179.7-161.5-51.9000108.2Y70 D113Y70-D111 HydrophobicContact CD1-CB 4.21Å; Y70-D111 HydrophobicContact CE1-CB 3.74Å; D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact OD1-N 2.83Å
112A96.3Very high96.5Very high95 Ų9545.5 Ų45.579%0.78526%0.259SS*.THydrogen-bonded Turntrans-73.6-25.7-177.800000112.1Y114A112-Y114 VanDerWaalsContact C-N 3.31Å
113D97.8Very high96.7Very high60 Ų6046.3 Ų46.332%0.32126%0.264SS..THydrogen-bonded Turntrans-88.60.4-178.1-66.2-24.5000112.3Y70 G71 D111 I115Y70-D113 CarbonylContact C-O 3.47Å; Y70-D113 WeakPolarHBondContact CA-O 3.46Å; G71-D113 PolarHBondContact N-O 3.28Å; D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact OD1-N 2.83Å; D113-I115 PolarHBondContact O-N 3.3Å
114Y97.9Very high96.9Very high21 Ų2147.8 Ų47.88%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-67.2128.1178.7174.3-101000112L68 Y70 M105 K106 P107 A112 I116 G117L68-Y114 HydrophobicContact CB-CE2 4.24Å; L68-Y114 HydrophobicContact CD2-CD2 4.44Å; L68-Y114 HydrophobicContact CD2-CE2 3.61Å; Y70-Y114 HydrophobicContact CD1-CD2 4.4Å; Y70-Y114 HydrophobicContact CE1-CD2 4.01Å; Y70-Y114 HydrophobicContact CE1-CG 4.44Å; M105-Y114 VanDerWaalsContact C-OH 3.26Å; M105-Y114 WeakPolarHBondContact O-CE1 3.4Å; M105-Y114 VanDerWaalsContact O-CZ 3.27Å; M105-Y114 PolarHBondContact O-OH 3.15Å; K106-Y114 HydrophobicContact CD-CD1 4.11Å; K106-Y114 HydrophobicContact CD-CE1 3.87Å; P107-Y114 HydrophobicContact CG-CD2 4.17Å; P107-Y114 HydrophobicContact CG-CG 4.12Å; A112-Y114 VanDerWaalsContact C-N 3.31Å; Y114-I116 VanDerWaalsContact CE2-C 3.5Å; Y114-I116 VanDerWaalsContact CE2-O 3.26Å; Y114-I116 WeakPolarHBondContact CE2-O 3.37Å; Y114-I116 VanDerWaalsContact CZ-C 3.42Å; Y114-G117 PolarHBondContact OH-N 3.04Å
115I97.8Very high97Very high13 Ų1346.6 Ų46.67%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-101.7-62.8-179.4-58.8173.1000110.2I45 I69 R77 A81 D113 L195I45-I115 HydrophobicContact CD1-CD1 4.4Å; I69-I115 PolarHBondContact O-N 3.34Å; R77-I115 HydrophobicContact CG-CD1 3.92Å; A81-I115 HydrophobicContact CB-CD1 3.89Å; A81-I115 HydrophobicContact CB-CG2 4.49Å; D113-I115 PolarHBondContact O-N 3.3Å; I115-L195 HydrophobicContact CG2-CD1 4.15Å
116I97.7Very high97Very high4 Ų450.9 Ų50.92%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-159.5164.5-171.4-163.7164.3000111I69 W101 Y114 L192 L195I69-I116 HydrophobicContact CB-CG2 4.24Å; I69-I116 WeakPolarHBondContact CB-O 3.39Å; I69-I116 HydrophobicContact CD1-CG2 3.9Å; I69-I116 PolarHBondContact N-O 3.05Å; W101-I116 HydrophobicContact CE3-CD1 3.87Å; W101-I116 HydrophobicContact CE3-CG1 4.25Å; W101-I116 HydrophobicContact CE3-CG2 3.91Å; W101-I116 HydrophobicContact CZ3-CD1 4.5Å; W101-I116 HydrophobicContact CZ3-CG2 3.6Å; Y114-I116 VanDerWaalsContact CE2-C 3.5Å; Y114-I116 VanDerWaalsContact CE2-O 3.26Å; Y114-I116 WeakPolarHBondContact CE2-O 3.37Å; Y114-I116 VanDerWaalsContact CZ-C 3.42Å; I116-L192 HydrophobicContact CD1-CD1 3.91Å; I116-L195 HydrophobicContact CB-CD1 4.19Å; I116-L195 HydrophobicContact CD1-CD1 4.04Å; I116-L195 HydrophobicContact CD1-CD2 3.62Å; I116-L195 HydrophobicContact CD1-CG 4.46Å; I116-L195 HydrophobicContact CG2-CD1 3.53Å
117G97.5Very high97Very high0 Ų046.3 Ų46.30%028%0.277CS..EExtended strand (participates in β ladder)trans-115.9148.7172.900000112.5L67 V102 Y114L67-G117 CarbonylContact O-C 3.44Å; L67-G117 VanDerWaalsContact O-CA 3.32Å; L67-G117 WeakPolarHBondContact O-CA 3.46Å; V102-G117 PolarHBondContact N-O 2.99Å; Y114-G117 PolarHBondContact OH-N 3.04Å
118L98.1Very high97Very high0 Ų048.8 Ų48.80%029%0.294CS..EExtended strand (participates in β ladder)trans-119.8113.9170.3-168.677.3000108.8Y66 L67 L92 S99 R100 W101Y66-L118 CarbonylContact C-O 3.58Å; Y66-L118 WeakPolarHBondContact CA-O 3.16Å; L67-L118 HydrophobicContact CB-CB 4.29Å; L67-L118 HydrophobicContact CD1-CD2 4.34Å; L67-L118 PolarHBondContact N-O 2.91Å; L67-L118 PolarHBondContact O-N 3.32Å; L92-L118 HydrophobicContact CD1-CD2 4.27Å; S99-L118 WeakPolarHBondContact OG-CD1 3.29Å; R100-L118 VanDerWaalsContact C-CD1 3.41Å; R100-L118 WeakPolarHBondContact O-CA 3.47Å; W101-L118 HydrophobicContact CB-CD1 4.37Å; W101-L118 HydrophobicContact CD2-CD1 3.58Å; W101-L118 HydrophobicContact CE3-CD1 3.98Å; W101-L118 HydrophobicContact CG-CD1 3.73Å
119A98Very high97Very high0 Ų048.1 Ų48.10%028%0.281CS..EExtended strand (participates in β ladder)trans-84.6137.5172.600000109.5F16 A63 Y66 S99 R100 V102 M105F16-A119 HydrophobicContact CE2-CB 4.26Å; F16-A119 HydrophobicContact CZ-CB 4.46Å; A63-A119 HydrophobicContact CB-CB 3.94Å; Y66-A119 HydrophobicContact CD1-CB 3.63Å; Y66-A119 HydrophobicContact CE1-CB 3.59Å; S99-A119 CarbonylContact C-O 3.45Å; S99-A119 WeakPolarHBondContact CA-O 3.44Å; R100-A119 PolarHBondContact N-O 3.48Å; R100-A119 PolarHBondContact O-N 3.44Å; V102-A119 HydrophobicContact CG2-CB 4.2Å; M105-A119 HydrophobicContact CE-CB 4.12Å
120F98.4Very high97.1Very high0 Ų043.2 Ų43.20%027%0.267CS..EExtended strand (participates in β ladder)trans-151.2160179.573.8-77.1000113.6L21 L26 L49 P64 H65 L67 L92 A98L21-F120 HydrophobicContact CD1-CD2 4.04Å; L21-F120 HydrophobicContact CD1-CE2 3.83Å; L26-F120 HydrophobicContact CD2-CE2 4.24Å; L26-F120 HydrophobicContact CD2-CZ 4.16Å; L49-F120 HydrophobicContact CD1-CE1 3.72Å; L49-F120 HydrophobicContact CD1-CZ 3.59Å; P64-F120 WeakPolarHBondContact CD-O 3.32Å; H65-F120 HydrophobicContact CB-CD1 3.98Å; H65-F120 HydrophobicContact CB-CD2 4.4Å; H65-F120 HydrophobicContact CB-CE1 3.45Å; H65-F120 VanDerWaalsContact CB-CE1 3.45Å; H65-F120 HydrophobicContact CB-CE2 3.96Å; H65-F120 HydrophobicContact CB-CG 4.43Å; H65-F120 HydrophobicContact CB-CZ 3.45Å; H65-F120 VanDerWaalsContact CB-CZ 3.45Å; H65-F120 PolarHBondContact N-O 2.95Å; H65-F120 PolarHBondContact O-N 2.73Å; L67-F120 HydrophobicContact CD1-CE1 4.44Å; L67-F120 HydrophobicContact CG-CD1 4.42Å; L67-F120 HydrophobicContact CG-CE1 3.9Å; L92-F120 HydrophobicContact CD1-CB 3.77Å; L92-F120 HydrophobicContact CD1-CD2 3.94Å; L92-F120 HydrophobicContact CD1-CG 3.87Å; L92-F120 HydrophobicContact CD2-CD2 3.57Å; L92-F120 HydrophobicContact CD2-CE2 3.94Å; L92-F120 HydrophobicContact CD2-CG 4.36Å; L92-F120 HydrophobicContact CG-CD2 4.42Å; A98-F120 VanDerWaalsContact O-CA 3.25Å; A98-F120 WeakPolarHBondContact O-CA 3.46Å; A98-F120 WeakPolarHBondContact O-CB 3.37Å
121G98.4Very high97Very high0 Ų043.6 Ų43.60%026%0.261CS..EExtended strand (participates in β ladder)trans166.6-175.5-179.500000111.8A98A98-G121 PolarHBondContact N-O 2.8Å; A98-G121 PolarHBondContact O-N 3.43Å
122E98.1Very high97Very high85 Ų8550 Ų5040%0.39729%0.286SS..SBendtrans-65.6128.4168.5177.5-178.3-165.400108.9F16 T17F16-E122 CarbonylContact C-O 3.53Å; F16-E122 VanDerWaalsContact CA-O 3.29Å; F16-E122 WeakPolarHBondContact CA-O 3.34Å; T17-E122 HydrophobicContact CG2-CB 4.32Å; T17-E122 HydrophobicContact CG2-CG 3.96Å; T17-E122 PolarHBondContact N-O 2.86Å; T17-E122 WeakPolarHBondContact OG1-CB 3.42Å; T17-E122 PolarHBondContact OG1-OE2 3.49Å
123P97.9Very high97Very high28 Ų2850.4 Ų50.418%0.18227%0.272CS..BIsolated β-bridgetrans-75.7138.9-17834.6-37.3000110.4T13 A98 E125 A127T13-P123 HydrophobicContact CG2-CB 4.26Å; A98-P123 HydrophobicContact CB-CB 3.73Å; A98-P123 HydrophobicContact CB-CG 4.13Å; P123-E125 VanDerWaalsContact CB-O 3.24Å; P123-E125 WeakPolarHBondContact CB-O 3.43Å; P123-E125 PolarHBondContact O-N 3.37Å; P123-A127 HydrophobicContact CB-CB 3.86Å; P123-A127 HydrophobicContact CG-CB 4.07Å
124A97.1Very high97Very high65 Ų6548.5 Ų48.554%0.53726%0.26SS..SBendtrans-73.3-15178.700000113.1N15 T17N15-A124 HydrophobicContact CB-CB 4.22Å; N15-A124 PolarHBondContact O-N 2.68Å; T17-A124 HydrophobicContact CG2-CB 4.49Å
125E94.6Very high96.9Very high110 Ų11053 Ų5351%0.51429%0.286SS..SBendtrans-143.4169.4177.762.9-173.8155.800108.8N15 P123 A127N15-E125 PolarHBondContact ND2-OE1 3.4Å; P123-E125 VanDerWaalsContact CB-O 3.24Å; P123-E125 WeakPolarHBondContact CB-O 3.43Å; P123-E125 PolarHBondContact O-N 3.37Å; E125-A127 PolarHBondContact O-N 3.01Å; E125-A127 VanDerWaalsContact O-N 3.1Å
126S94.3Very high96.9Very high90 Ų9054.4 Ų54.463%0.62929%0.29SS*.  trans-56.4121.6178.9-178.50000111.9S128S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact OG-N 3.24Å
127A95.9Very high96.9Very high5 Ų557 Ų574%0.04130%0.301CS..  trans-94.923.3173.100000112.4K11 T13 F93 A98 P123 E125K11-A127 WeakPolarHBondContact CA-O 3.33Å; K11-A127 VanDerWaalsContact CB-O 3.27Å; K11-A127 WeakPolarHBondContact CB-O 3.29Å; K11-A127 PolarHBondContact N-O 3.27Å; K11-A127 VanDerWaalsContact O-O 3.13Å; T13-A127 HydrophobicContact CG2-CB 4.49Å; F93-A127 VanDerWaalsContact CE2-O 3.25Å; F93-A127 WeakPolarHBondContact CE2-O 3.38Å; A98-A127 HydrophobicContact CB-CB 3.48Å; A98-A127 VanDerWaalsContact CB-CB 3.48Å; P123-A127 HydrophobicContact CB-CB 3.86Å; P123-A127 HydrophobicContact CG-CB 4.07Å; E125-A127 PolarHBondContact O-N 3.01Å; E125-A127 VanDerWaalsContact O-N 3.1Å
128S97Very high96.8Very high56 Ų5659 Ų5939%0.39232%0.318SS..BIsolated β-bridgetrans-109.5158.6177.8-58.10000111.4T9 F93 S126T9-S128 CarbonylContact O-C 3.54Å; T9-S128 VanDerWaalsContact O-CA 3.29Å; T9-S128 WeakPolarHBondContact O-CA 3.19Å; F93-S128 WeakPolarHBondContact CZ-OG 3.27Å; S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact OG-N 3.24Å
129R96.8Very high96.8Very high31 Ų3162.4 Ų62.412%0.11734%0.336CS..  trans-148.5163.617461.6177.5161.2169.52.2110.9T9 R10 K11 E133 F134T9-R129 WeakPolarHBondContact CA-O 3.09Å; T9-R129 WeakPolarHBondContact O-CG 3.47Å; T9-R129 PolarHBondContact O-N 3.2Å; R10-R129 PolarHBondContact O-NE 2.89Å; R10-R129 PolarHBondContact O-NH2 2.88Å; R10-R129 VanDerWaalsContact O-NH2 3.15Å; K11-R129 HydrophobicContact CB-CB 4.28Å; K11-R129 HydrophobicContact CB-CG 4.05Å; K11-R129 HydrophobicContact CD-CB 4.35Å; R129-E133 HydrophobicContact CB-CB 4.01Å; R129-F134 HydrophobicContact CG-CD2 4.14Å; R129-F134 HydrophobicContact CG-CE2 3.65Å; R129-F134 HydrophobicContact CG-CZ 4.21Å; R129-F134 VanDerWaalsContact CZ-CZ 3.44Å; R129-F134 VanDerWaalsContact NE-CE2 3.35Å
130T96.8Very high96.7Very high81 Ų8170.8 Ų70.850%0.49737%0.373SS..  trans-89164.2169.367.30000110.9K132 E133 F134T130-K132 PolarHBondContact O-N 3.44Å; T130-E133 WeakPolarHBondContact CB-OE2 3.12Å; T130-E133 PolarHBondContact N-OE2 3.47Å; T130-E133 PolarHBondContact O-N 3.07Å; T130-E133 PolarHBondContact OG1-OE2 3.43Å; T130-F134 WeakPolarHBondContact O-CD2 3.46Å
131L94.9Very high96.6Very high102 Ų10276 Ų7653%0.53440%0.397SS..G310 helixtrans-58.4-31.5179-73.8169.6000113.9F8 E133 F134 L155F8-L131 HydrophobicContact CB-CD2 4.04Å; F8-L131 HydrophobicContact CD1-CD2 3.78Å; F8-L131 HydrophobicContact CG-CD2 4.4Å; L131-E133 PolarHBondContact O-N 3.04Å; L131-F134 HydrophobicContact CD2-CE2 4.43Å; L131-F134 PolarHBondContact O-N 3.31Å; L131-L155 HydrophobicContact CD2-CD1 3.84Å
132K95.7Very high96.6Very high205 Ų20576 Ų7689%0.89140%0.397SS*.G310 helixtrans-71-20.2179.8-65-177.8-178.6178.50113.1T130 F134T130-K132 PolarHBondContact O-N 3.44Å; K132-F134 VanDerWaalsContact C-N 3.32Å
133E96.7Very high96.6Very high103 Ų10372.6 Ų72.648%0.48138%0.383SS..G310 helixtrans-88.2-0.4179.7-66.8168.390.300112.7R129 T130 L131 D135R129-E133 HydrophobicContact CB-CB 4.01Å; T130-E133 WeakPolarHBondContact CB-OE2 3.12Å; T130-E133 PolarHBondContact N-OE2 3.47Å; T130-E133 PolarHBondContact O-N 3.07Å; T130-E133 PolarHBondContact OG1-OE2 3.43Å; L131-E133 PolarHBondContact O-N 3.04Å; E133-D135 PolarHBondContact O-N 3.37Å
134F97.3Very high96.6Very high19 Ų1976.9 Ų76.98%0.08340%0.4CS..  trans-76.7110.4172.2-78.4-109.2000110.6I7 F8 R129 T130 L131 K132 R136 L155I7-F134 WeakPolarHBondContact O-CZ 3.49Å; F8-F134 VanDerWaalsContact O-CE2 3.29Å; F8-F134 WeakPolarHBondContact O-CE2 3.41Å; R129-F134 HydrophobicContact CG-CD2 4.14Å; R129-F134 HydrophobicContact CG-CE2 3.65Å; R129-F134 HydrophobicContact CG-CZ 4.21Å; R129-F134 VanDerWaalsContact CZ-CZ 3.44Å; R129-F134 VanDerWaalsContact NE-CE2 3.35Å; T130-F134 WeakPolarHBondContact O-CD2 3.46Å; L131-F134 HydrophobicContact CD2-CE2 4.43Å; L131-F134 PolarHBondContact O-N 3.31Å; K132-F134 VanDerWaalsContact C-N 3.32Å; F134-R136 HydrophobicContact CB-CG 4.27Å; F134-R136 HydrophobicContact CD1-CG 4.29Å; F134-R136 PolarHBondContact O-N 3.23Å; F134-L155 HydrophobicContact CB-CD2 4.11Å; F134-L155 HydrophobicContact CD1-CB 4.03Å; F134-L155 HydrophobicContact CD1-CD2 3.51Å; F134-L155 HydrophobicContact CD1-CG 4.26Å; F134-L155 HydrophobicContact CD2-CD2 4.49Å; F134-L155 HydrophobicContact CE1-CB 3.71Å; F134-L155 HydrophobicContact CE1-CD1 4.39Å; F134-L155 HydrophobicContact CE1-CD2 3.93Å; F134-L155 HydrophobicContact CE1-CG 4.2Å; F134-L155 HydrophobicContact CG-CD2 3.82Å
135D96.1Very high96.5Very high117 Ų11776 Ų7663%0.62640%0.398SS*.  trans-79.996.6162.5176.423.5000109.4E133 N161E133-D135 PolarHBondContact O-N 3.37Å; D135-N161 PolarHBondContact O-ND2 3.35Å; D135-N161 PolarHBondContact O-OD1 3.33Å; D135-N161 PolarHBondContact OD2-ND2 2.96Å
136R97.2Very high96.6Very high41 Ų4180.7 Ų80.716%0.15542%0.416CS..  trans-140.8152.7179.7-68.6-63.6-178.3-84.5-1.5109.7F134 R154 L155 A156 N161F134-R136 HydrophobicContact CB-CG 4.27Å; F134-R136 HydrophobicContact CD1-CG 4.29Å; F134-R136 PolarHBondContact O-N 3.23Å; R136-R154 HydrophobicContact CB-CG 4.46Å; R136-R154 VanDerWaalsContact CD-O 3.28Å; R136-R154 WeakPolarHBondContact CD-O 3.34Å; R136-R154 WeakPolarHBondContact CG-O 3.44Å; R136-L155 PolarHBondContact NE-O 3.35Å; R136-L155 PolarHBondContact NH2-O 3.37Å; R136-A156 PolarHBondContact NE-O 3.22Å; R136-A156 PolarHBondContact NH2-O 3.37Å; R136-N161 PolarHBondContact NH1-OD1 2.91Å
137K97.2Very high96.7Very high58 Ų5878 Ų7825%0.25240%0.395SS..  trans-59.8154174.5-74.2173.6-166.3168.10109.8E141 I142 R154 G162 Q163K137-E141 HydrophobicContact CB-CB 4.15Å; K137-E141 HydrophobicContact CD-CB 4.4Å; K137-I142 HydrophobicContact CB-CG2 3.9Å; K137-I142 HydrophobicContact CD-CG2 3.77Å; K137-R154 VanDerWaalsContact O-CD 3.3Å; K137-R154 WeakPolarHBondContact O-CD 3.42Å; K137-R154 PolarHBondContact O-NH1 2.82Å; K137-R154 VanDerWaalsContact O-NH1 3.09Å; K137-G162 PolarHBondContact NZ-O 2.83Å; K137-Q163 HydrophobicContact CD-CB 4.2Å; K137-Q163 PolarHBondContact NZ-O 2.84Å
138A97.1Very high96.7Very high42 Ų4282.6 Ų82.635%0.34743%0.427SS..  trans-68.2153172.100000110.6K140 E141A138-K140 HydrophobicContact CB-CG 4.12Å; A138-K140 PolarHBondContact O-N 2.88Å; A138-E141 HydrophobicContact CB-CG 4.46Å; A138-E141 WeakPolarHBondContact CB-OE1 3.24Å; A138-E141 PolarHBondContact N-OE1 2.86Å; A138-E141 WeakPolarHBondContact O-CB 3.23Å; A138-E141 PolarHBondContact O-N 3.41Å
139L97.3Very high96.7Very high72 Ų7280.2 Ų80.238%0.37741%0.409SS..Hα-helixtrans-51.5-41.9178.7-77.3167.8000112.7E141 I142 S143 I150 R154L139-E141 PolarHBondContact O-N 3.12Å; L139-E141 VanDerWaalsContact O-N 3.11Å; L139-I142 CarbonylContact O-C 3.44Å; L139-I142 PolarHBondContact O-N 2.67Å; L139-I142 VanDerWaalsContact O-N 3.1Å; L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.9Å; L139-I150 HydrophobicContact CD2-CG2 3.67Å; L139-R154 HydrophobicContact CD2-CB 4.35Å
140K96.6Very high96.8Very high177 Ų17778.9 Ų78.977%0.7741%0.405SS*.Hα-helixtrans-60.8-19.617968.7177.9-177.3177.60114.8A138A138-K140 HydrophobicContact CB-CG 4.12Å; A138-K140 PolarHBondContact O-N 2.88Å
141E96.4Very high96.8Very high108 Ų10877.8 Ų77.851%0.50539%0.394SS..Hα-helixtrans-90.2-18.8179.9-62.4175.2-99.800112.5K137 A138 L139K137-E141 HydrophobicContact CB-CB 4.15Å; K137-E141 HydrophobicContact CD-CB 4.4Å; A138-E141 HydrophobicContact CB-CG 4.46Å; A138-E141 WeakPolarHBondContact CB-OE1 3.24Å; A138-E141 PolarHBondContact N-OE1 2.86Å; A138-E141 WeakPolarHBondContact O-CB 3.23Å; A138-E141 PolarHBondContact O-N 3.41Å; L139-E141 PolarHBondContact O-N 3.12Å; L139-E141 VanDerWaalsContact O-N 3.11Å
142I97.4Very high97Very high1 Ų173 Ų731%0.00537%0.369CS..Hα-helixtrans-122.4-0.8-175.764145.3000112.8K137 L139 I150 R154 Y166 F167K137-I142 HydrophobicContact CB-CG2 3.9Å; K137-I142 HydrophobicContact CD-CG2 3.77Å; L139-I142 CarbonylContact O-C 3.44Å; L139-I142 PolarHBondContact O-N 2.67Å; L139-I142 VanDerWaalsContact O-N 3.1Å; I142-I150 HydrophobicContact CD1-CG2 4.49Å; I142-R154 HydrophobicContact CD1-CB 3.72Å; I142-R154 HydrophobicContact CD1-CG 3.66Å; I142-R154 HydrophobicContact CG1-CG 4.45Å; I142-Y166 VanDerWaalsContact C-CD2 3.48Å; I142-Y166 CarbonylContact O-C 3.55Å; I142-Y166 VanDerWaalsContact O-CA 3.27Å; I142-Y166 WeakPolarHBondContact O-CA 3.45Å; I142-F167 HydrophobicContact CD1-CD2 4.27Å; I142-F167 HydrophobicContact CD1-CE2 4.31Å; I142-F167 PolarHBondContact O-N 2.92Å
143S97.9Very high97.1Very high14 Ų1463.2 Ų63.210%0.09833%0.326CS..EExtended strand (participates in β ladder)trans-156.9154.9-176.8630000115.3L139 F167L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.9Å; S143-F167 CarbonylContact C-O 3.48Å; S143-F167 WeakPolarHBondContact CA-O 3.38Å; S143-F167 WeakPolarHBondContact CB-O 3.34Å
144E97.4Very high97.2Very high117 Ų11760.2 Ų60.255%0.54731%0.31SS..EExtended strand (participates in β ladder)trans-123.1148.3166.4-175-177.8162.800109.4Y166 F167 I168 A169E144-Y166 HydrophobicContact CB-CE1 4.38Å; E144-F167 PolarHBondContact N-O 3.31Å; E144-I168 HydrophobicContact CB-CG1 4.41Å; E144-A169 PolarHBondContact O-N 3.39Å
145G96.5Very high97.3Very high48 Ų4859.4 Ų59.450%0.49531%0.307SS..SBendtrans82.4-171.7-176.800000113.2
146K95.5Very high97.4Very high208 Ų20853.8 Ų53.890%0.90428%0.277SS*.  trans-128.9120.8-178-66.2-176.4-178.2179.10110.5
147D97.1Very high97.4Very high33 Ų3352.6 Ų52.618%0.17628%0.275CS..  trans-152.6127.7169.5-171.7-56.4000107.8R149 I150 A169 V174D147-R149 PolarHBondContact O-N 3.24Å; D147-R149 WeakPolarHBondContact OD1-CB 3.48Å; D147-R149 WeakPolarHBondContact OD1-CG 3.33Å; D147-R149 IonicContact OD1-CZ 2.72Å; D147-R149 PolarHBondContact OD1-N 3.31Å; D147-R149 IonicContact OD1-NE 3.34Å; D147-R149 PolarHBondContact OD1-NE 3.17Å; D147-R149 IonicContact OD2-CZ 3.34Å; D147-R149 IonicContact OD2-NE 3.25Å; D147-R149 PolarHBondContact OD2-NE 2.62Å; D147-R149 VanDerWaalsContact OD2-NE 3.11Å; D147-R149 IonicContact OD2-NH2 3.35Å; D147-R149 PolarHBondContact OD2-NH2 3.09Å; D147-I150 HydrophobicContact CB-CD1 4.01Å; D147-I150 HydrophobicContact CB-CG1 4.16Å; D147-I150 WeakPolarHBondContact O-CB 3.49Å; D147-I150 PolarHBondContact O-N 3.5Å; D147-I150 VanDerWaalsContact O-N 3.17Å; D147-A169 HydrophobicContact CB-CB 3.71Å; D147-V174 HydrophobicContact CB-CG2 3.96Å; D147-V174 WeakPolarHBondContact OD2-CG2 3.37Å
148S95.3Very high97.4Very high102 Ų10250.8 Ų50.871%0.71327%0.269SS*.THydrogen-bonded Turntrans-64.1-25.4-175.752.60000112.9I150 E151S148-I150 PolarHBondContact O-N 3.25Å; S148-E151 PolarHBondContact O-N 3.5Å
149R97.6Very high97.3Very high5 Ų549.8 Ų49.82%0.01926%0.263CS..Hα-helixtrans-64.2-28.7177.7-56.6174.7-75.7-176.4-3111.8D147 E151 A152 A153 G172 L204 A207 T208 K237D147-R149 PolarHBondContact O-N 3.24Å; D147-R149 WeakPolarHBondContact OD1-CB 3.48Å; D147-R149 WeakPolarHBondContact OD1-CG 3.33Å; D147-R149 IonicContact OD1-CZ 2.72Å; D147-R149 PolarHBondContact OD1-N 3.31Å; D147-R149 IonicContact OD1-NE 3.34Å; D147-R149 PolarHBondContact OD1-NE 3.17Å; D147-R149 IonicContact OD2-CZ 3.34Å; D147-R149 IonicContact OD2-NE 3.25Å; D147-R149 PolarHBondContact OD2-NE 2.62Å; D147-R149 VanDerWaalsContact OD2-NE 3.11Å; D147-R149 IonicContact OD2-NH2 3.35Å; D147-R149 PolarHBondContact OD2-NH2 3.09Å; R149-E151 PolarHBondContact O-N 2.81Å; R149-A152 WeakPolarHBondContact O-CB 3.1Å; R149-A152 PolarHBondContact O-N 2.68Å; R149-A152 VanDerWaalsContact O-N 3.13Å; R149-A153 PolarHBondContact O-N 2.96Å; R149-A153 VanDerWaalsContact O-N 3.12Å; R149-G172 PolarHBondContact NH2-O 2.82Å; R149-L204 HydrophobicContact CB-CD2 3.66Å; R149-L204 WeakPolarHBondContact O-CD2 3.25Å; R149-A207 HydrophobicContact CB-CB 4.05Å; R149-A207 HydrophobicContact CG-CB 4.07Å; R149-T208 WeakPolarHBondContact CD-OG1 3.24Å; R149-T208 PolarHBondContact NH1-OG1 3.18Å; R149-K237 PolarHBondContact NH1-O 3.24Å
150I98.4Very high97Very high4 Ų451.4 Ų51.42%0.02127%0.272CS..Hα-helixtrans-63.7-31.4-179.7-66.2175.1000111.2L139 I142 D147 S148 A153 R154 F167 A169 V174L139-I150 HydrophobicContact CD2-CG2 3.67Å; I142-I150 HydrophobicContact CD1-CG2 4.49Å; D147-I150 HydrophobicContact CB-CD1 4.01Å; D147-I150 HydrophobicContact CB-CG1 4.16Å; D147-I150 WeakPolarHBondContact O-CB 3.49Å; D147-I150 PolarHBondContact O-N 3.5Å; D147-I150 VanDerWaalsContact O-N 3.17Å; S148-I150 PolarHBondContact O-N 3.25Å; I150-A153 PolarHBondContact O-N 2.8Å; I150-R154 WeakPolarHBondContact O-CB 3.43Å; I150-R154 PolarHBondContact O-N 3.27Å; I150-F167 HydrophobicContact CD1-CB 3.84Å; I150-F167 HydrophobicContact CG1-CB 4.18Å; I150-F167 HydrophobicContact CG1-CD2 4.5Å; I150-F167 HydrophobicContact CG1-CG 4.43Å; I150-F167 HydrophobicContact CG2-CD2 3.96Å; I150-A169 HydrophobicContact CD1-CB 3.8Å; I150-V174 HydrophobicContact CD1-CG1 4.38Å; I150-V174 HydrophobicContact CG1-CG1 4.29Å; I150-V174 HydrophobicContact CG1-CG2 4.45Å
151E98Very high96.9Very high58 Ų5845 Ų4527%0.27125%0.246SC..Hα-helixtrans-64.9-41.3175.5-179.158.7-16700111.3S148 R149 A153 R154 L155S148-E151 PolarHBondContact O-N 3.5Å; R149-E151 PolarHBondContact O-N 2.81Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.08Å; E151-R154 WeakPolarHBondContact O-CB 3.32Å; E151-R154 PolarHBondContact O-N 3.28Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 3.65Å; E151-R154 PolarHBondContact OE1-NE 3.4Å; E151-R154 IonicContact OE1-NH2 3.65Å; E151-R154 PolarHBondContact OE1-NH2 3.34Å; E151-R154 IonicContact OE2-CZ 3.11Å; E151-R154 IonicContact OE2-NE 3.47Å; E151-R154 PolarHBondContact OE2-NE 3.43Å; E151-R154 IonicContact OE2-NH2 2.94Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 3.33Å
152A98.3Very high96.9Very high1 Ų140.4 Ų40.41%0.00823%0.227CC..Hα-helixtrans-61.2-42.6173.900000111.4Y4 I7 F8 R149 L155 H203 A207Y4-A152 HydrophobicContact CE2-CB 4.28Å; I7-A152 HydrophobicContact CD1-CB 4.11Å; I7-A152 HydrophobicContact CG2-CB 4.24Å; F8-A152 HydrophobicContact CZ-CB 4.46Å; R149-A152 WeakPolarHBondContact O-CB 3.1Å; R149-A152 PolarHBondContact O-N 2.68Å; R149-A152 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.15Å; A152-H203 PolarHBondContact O-ND1 3.22Å; A152-A207 HydrophobicContact CB-CB 3.71Å
153A98.6Very high96.9Very high0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-66-36.3176.800000113.1R149 I150 E151 L155 A156 F167 H203 L204R149-A153 PolarHBondContact O-N 2.96Å; R149-A153 VanDerWaalsContact O-N 3.12Å; I150-A153 PolarHBondContact O-N 2.8Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.08Å; A153-L155 PolarHBondContact O-N 2.81Å; A153-A156 WeakPolarHBondContact O-CB 3.31Å; A153-A156 PolarHBondContact O-N 3.07Å; A153-A156 VanDerWaalsContact O-N 3.11Å; A153-F167 HydrophobicContact CB-CE2 3.77Å; A153-F167 HydrophobicContact CB-CZ 3.84Å; A153-H203 HydrophobicContact CB-CB 4.46Å; A153-L204 HydrophobicContact CB-CD2 3.76Å; A153-L204 HydrophobicContact CB-CG 3.82Å
154R98.4Very high96.9Very high39 Ų3939.9 Ų39.915%0.14722%0.223CC..Hα-helixtrans-59-34.3175.8-170.1-1797576.95.9112R136 K137 L139 I142 I150 E151 A156R136-R154 HydrophobicContact CB-CG 4.46Å; R136-R154 VanDerWaalsContact CD-O 3.28Å; R136-R154 WeakPolarHBondContact CD-O 3.34Å; R136-R154 WeakPolarHBondContact CG-O 3.44Å; K137-R154 VanDerWaalsContact O-CD 3.3Å; K137-R154 WeakPolarHBondContact O-CD 3.42Å; K137-R154 PolarHBondContact O-NH1 2.82Å; K137-R154 VanDerWaalsContact O-NH1 3.09Å; L139-R154 HydrophobicContact CD2-CB 4.35Å; I142-R154 HydrophobicContact CD1-CB 3.72Å; I142-R154 HydrophobicContact CD1-CG 3.66Å; I142-R154 HydrophobicContact CG1-CG 4.45Å; I150-R154 WeakPolarHBondContact O-CB 3.43Å; I150-R154 PolarHBondContact O-N 3.27Å; E151-R154 WeakPolarHBondContact O-CB 3.32Å; E151-R154 PolarHBondContact O-N 3.28Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 3.65Å; E151-R154 PolarHBondContact OE1-NE 3.4Å; E151-R154 IonicContact OE1-NH2 3.65Å; E151-R154 PolarHBondContact OE1-NH2 3.34Å; E151-R154 IonicContact OE2-CZ 3.11Å; E151-R154 IonicContact OE2-NE 3.47Å; E151-R154 PolarHBondContact OE2-NE 3.43Å; E151-R154 IonicContact OE2-NH2 2.94Å; R154-A156 VanDerWaalsContact C-N 3.29Å; R154-A156 PolarHBondContact O-N 3.19Å
155L98.4Very high96.9Very high2 Ų234.4 Ų34.41%0.0120%0.198CC..THydrogen-bonded Turntrans-78.6-10.3-179.3-61.6-178.2000113.6I7 F8 L131 F134 R136 E151 A152 A153I7-L155 HydrophobicContact CG2-CB 4.02Å; I7-L155 HydrophobicContact CG2-CD1 4.26Å; F8-L155 HydrophobicContact CD1-CD1 3.48Å; F8-L155 VanDerWaalsContact CD1-CD1 3.48Å; F8-L155 HydrophobicContact CE1-CD1 3.77Å; F8-L155 HydrophobicContact CG-CD1 4.31Å; L131-L155 HydrophobicContact CD2-CD1 3.84Å; F134-L155 HydrophobicContact CB-CD2 4.11Å; F134-L155 HydrophobicContact CD1-CB 4.03Å; F134-L155 HydrophobicContact CD1-CD2 3.51Å; F134-L155 HydrophobicContact CD1-CG 4.26Å; F134-L155 HydrophobicContact CD2-CD2 4.49Å; F134-L155 HydrophobicContact CE1-CB 3.71Å; F134-L155 HydrophobicContact CE1-CD1 4.39Å; F134-L155 HydrophobicContact CE1-CD2 3.93Å; F134-L155 HydrophobicContact CE1-CG 4.2Å; F134-L155 HydrophobicContact CG-CD2 3.82Å; R136-L155 PolarHBondContact NE-O 3.35Å; R136-L155 PolarHBondContact NH2-O 3.37Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 3.33Å; A152-L155 PolarHBondContact O-N 3.15Å; A153-L155 PolarHBondContact O-N 2.81Å
156A98.6Very high97Very high0 Ų034 Ų340%018%0.182CC..SBendtrans-53.4143.7178.400000112.6R136 A153 R154 W165 I199 A200 H203R136-A156 PolarHBondContact NE-O 3.22Å; R136-A156 PolarHBondContact NH2-O 3.37Å; A153-A156 WeakPolarHBondContact O-CB 3.31Å; A153-A156 PolarHBondContact O-N 3.07Å; A153-A156 VanDerWaalsContact O-N 3.11Å; R154-A156 VanDerWaalsContact C-N 3.29Å; R154-A156 PolarHBondContact O-N 3.19Å; A156-W165 HydrophobicContact CB-CH2 3.73Å; A156-W165 HydrophobicContact CB-CZ2 4.02Å; A156-I199 HydrophobicContact CB-CG2 4Å; A156-A200 HydrophobicContact CB-CB 4.2Å; A156-H203 VanDerWaalsContact CA-CE1 3.4Å; A156-H203 WeakPolarHBondContact CA-CE1 3.39Å; A156-H203 HydrophobicContact CB-CB 4.48Å
157P98Very high97.2Very high16 Ų1624.1 Ų24.110%0.10414%0.139CC..  trans-67152.7170.632-36000110.6R10 I199R10-P157 VanDerWaalsContact NH2-CG 3.26Å; P157-I199 VanDerWaalsContact CD-CG2 3.47Å; P157-I199 HydrophobicContact CG-CD1 4.47Å; P157-I199 HydrophobicContact CG-CG2 3.54Å
158S97.5Very high97.2Very high19 Ų1923.2 Ų23.213%0.13313%0.133CC..  trans-149.7152.616750.90000110.2L160 N161 G162 Q163 D196S158-L160 PolarHBondContact O-N 3.42Å; S158-N161 PolarHBondContact O-N 3.03Å; S158-N161 VanDerWaalsContact O-N 3.15Å; S158-G162 PolarHBondContact OG-N 2.87Å; S158-Q163 WeakPolarHBondContact OG-CA 3.34Å; S158-Q163 PolarHBondContact OG-N 2.84Å; S158-D196 WeakPolarHBondContact CA-OD1 3.42Å
159G93.8Very high97.3Very high22 Ų2219 Ų1923%0.22711%0.105CC..G310 helixtrans-58.7138.9172.600000111.2N161 G162 Y190 D196G159-N161 PolarHBondContact O-N 2.89Å; G159-G162 PolarHBondContact O-N 3.26Å; G159-Y190 VanDerWaalsContact CA-OH 3.25Å; G159-Y190 WeakPolarHBondContact CA-OH 3.29Å; G159-Y190 PolarHBondContact N-OH 2.7Å; G159-D196 PolarHBondContact N-OD1 3.16Å
160L92.1Very high97.2Very high105 Ų10522.4 Ų22.455%0.5512%0.123SC..G310 helixtrans56.717.7-176.7-51.4175000114.4S158 G162 P186 Y190S158-L160 PolarHBondContact O-N 3.42Å; L160-G162 PolarHBondContact O-N 3.25Å; L160-G162 VanDerWaalsContact O-N 3.13Å; L160-P186 HydrophobicContact CD1-CB 3.81Å; L160-P186 HydrophobicContact CD2-CB 4.32Å; L160-Y190 HydrophobicContact CD1-CD2 4.18Å; L160-Y190 HydrophobicContact CD1-CG 4.11Å; L160-Y190 HydrophobicContact CG-CD2 4.31Å
161N94.3Very high96.8Very high43 Ų4329.7 Ų29.723%0.2316%0.162CC..G310 helixtrans53.125.5-167.4-160.626.3000113D135 R136 S158 G159 Q163D135-N161 PolarHBondContact O-ND2 3.35Å; D135-N161 PolarHBondContact O-OD1 3.33Å; D135-N161 PolarHBondContact OD2-ND2 2.96Å; R136-N161 PolarHBondContact NH1-OD1 2.91Å; S158-N161 PolarHBondContact O-N 3.03Å; S158-N161 VanDerWaalsContact O-N 3.15Å; G159-N161 PolarHBondContact O-N 2.89Å; N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 2.82Å; N161-Q163 PolarHBondContact O-NE2 3.43Å; N161-Q163 PolarHBondContact OD1-NE2 2.86Å
162G95.5Very high96.4Very high11 Ų1128.9 Ų28.911%0.11317%0.17CC..  trans-67.9-25.1-167.100000114K137 S158 G159 L160K137-G162 PolarHBondContact NZ-O 2.83Å; S158-G162 PolarHBondContact OG-N 2.87Å; G159-G162 PolarHBondContact O-N 3.26Å; L160-G162 PolarHBondContact O-N 3.25Å; L160-G162 VanDerWaalsContact O-N 3.13Å
163Q97.5Very high96.3Very high3 Ų329.4 Ų29.41%0.01417%0.174CC..  trans4163.8-178.7-64.5157.891.800109.9K137 S158 N161 W165K137-Q163 HydrophobicContact CD-CB 4.2Å; K137-Q163 PolarHBondContact NZ-O 2.84Å; S158-Q163 WeakPolarHBondContact OG-CA 3.34Å; S158-Q163 PolarHBondContact OG-N 2.84Å; N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 2.82Å; N161-Q163 PolarHBondContact O-NE2 3.43Å; N161-Q163 PolarHBondContact OD1-NE2 2.86Å; Q163-W165 HydrophobicContact CB-CD2 4.4Å; Q163-W165 HydrophobicContact CB-CH2 4.31Å; Q163-W165 HydrophobicContact CB-CZ2 3.78Å; Q163-W165 HydrophobicContact CG-CH2 4.06Å; Q163-W165 HydrophobicContact CG-CZ2 3.59Å; Q163-W165 PolarHBondContact O-N 2.84Å
164P97.4Very high96.2Very high1 Ų129.4 Ų29.41%0.00617%0.174CC..  trans-80.833.6-170.537.8-38.8000111.8R178 K179 I182 T193 D196P164-R178 CarbonylContact O-C 3.59Å; P164-R178 VanDerWaalsContact O-CA 3.28Å; P164-R178 WeakPolarHBondContact O-CA 3.21Å; P164-K179 HydrophobicContact CB-CB 4.24Å; P164-K179 PolarHBondContact O-N 3.25Å; P164-I182 HydrophobicContact CB-CG1 4.41Å; P164-T193 HydrophobicContact CB-CG2 3.76Å; P164-T193 HydrophobicContact CG-CG2 3.97Å; P164-D196 HydrophobicContact CG-CB 3.5Å; P164-D196 VanDerWaalsContact CG-CB 3.5Å
165W98.3Very high96.2Very high3 Ų329.3 Ų29.31%0.01117%0.174CC..EExtended strand (participates in β ladder)trans-114.5151.8176.647.677.1000110.4A156 Q163 F167 Y177 D196 V197 A200A156-W165 HydrophobicContact CB-CH2 3.73Å; A156-W165 HydrophobicContact CB-CZ2 4.02Å; Q163-W165 HydrophobicContact CB-CD2 4.4Å; Q163-W165 HydrophobicContact CB-CH2 4.31Å; Q163-W165 HydrophobicContact CB-CZ2 3.78Å; Q163-W165 HydrophobicContact CG-CH2 4.06Å; Q163-W165 HydrophobicContact CG-CZ2 3.59Å; Q163-W165 PolarHBondContact O-N 2.84Å; W165-F167 HydrophobicContact CB-CE1 4.36Å; W165-F167 HydrophobicContact CB-CE2 4.2Å; W165-F167 HydrophobicContact CB-CZ 3.86Å; W165-F167 AromaticContact CD1-CD2 4Å; W165-F167 AromaticContact CD1-CE2 3.21Å; W165-F167 AromaticContact CD1-CZ 3.68Å; W165-F167 AromaticContact CG-CE2 3.82Å; W165-F167 HydrophobicContact CG-CE2 3.82Å; W165-F167 AromaticContact CG-CZ 3.79Å; W165-F167 HydrophobicContact CG-CZ 3.79Å; W165-F167 AromaticContact NE1-CE2 3.8Å; W165-Y177 CarbonylContact C-O 3.48Å; W165-Y177 VanDerWaalsContact CA-O 3.25Å; W165-Y177 WeakPolarHBondContact CA-O 3.45Å; W165-D196 HydrophobicContact CE3-CB 4.37Å; W165-D196 HydrophobicContact CZ3-CB 4.02Å; W165-D196 VanDerWaalsContact CZ3-O 3.22Å; W165-D196 WeakPolarHBondContact CZ3-O 3.33Å; W165-V197 HydrophobicContact CB-CG2 4.2Å; W165-A200 HydrophobicContact CD2-CB 3.72Å; W165-A200 HydrophobicContact CE3-CB 3.59Å; W165-A200 HydrophobicContact CG-CB 4.25Å; W165-A200 HydrophobicContact CH2-CB 4.26Å; W165-A200 HydrophobicContact CZ2-CB 4.38Å; W165-A200 HydrophobicContact CZ3-CB 3.87Å
166Y98.5Very high96.3Very high39 Ų3929.2 Ų29.215%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-135.7140.6165.1-164.2-89000108.8I142 E144 I168 Y177 P227I142-Y166 VanDerWaalsContact C-CD2 3.48Å; I142-Y166 CarbonylContact O-C 3.55Å; I142-Y166 VanDerWaalsContact O-CA 3.27Å; I142-Y166 WeakPolarHBondContact O-CA 3.45Å; E144-Y166 HydrophobicContact CB-CE1 4.38Å; Y166-I168 HydrophobicContact CD1-CG1 4.09Å; Y166-I168 HydrophobicContact CE1-CD1 4.49Å; Y166-I168 HydrophobicContact CE1-CG1 3.89Å; Y166-Y177 PolarHBondContact N-O 2.83Å; Y166-Y177 WeakPolarHBondContact O-CD2 3.11Å; Y166-Y177 PolarHBondContact O-N 2.92Å; Y166-P227 HydrophobicContact CD1-CG 3.48Å; Y166-P227 VanDerWaalsContact CD1-CG 3.48Å; Y166-P227 HydrophobicContact CE1-CG 3.65Å; Y166-P227 HydrophobicContact CG-CG 3.99Å
167F98.6Very high96.3Very high1 Ų129.3 Ų29.30%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-120.8134.1-176.4-57.7-64.3000110.7I142 S143 E144 I150 A153 W165 V174 Y175 V176 A200 L204I142-F167 HydrophobicContact CD1-CD2 4.27Å; I142-F167 HydrophobicContact CD1-CE2 4.31Å; I142-F167 PolarHBondContact O-N 2.92Å; S143-F167 CarbonylContact C-O 3.48Å; S143-F167 WeakPolarHBondContact CA-O 3.38Å; S143-F167 WeakPolarHBondContact CB-O 3.34Å; E144-F167 PolarHBondContact N-O 3.31Å; I150-F167 HydrophobicContact CD1-CB 3.84Å; I150-F167 HydrophobicContact CG1-CB 4.18Å; I150-F167 HydrophobicContact CG1-CD2 4.5Å; I150-F167 HydrophobicContact CG1-CG 4.43Å; I150-F167 HydrophobicContact CG2-CD2 3.96Å; A153-F167 HydrophobicContact CB-CE2 3.77Å; A153-F167 HydrophobicContact CB-CZ 3.84Å; W165-F167 HydrophobicContact CB-CE1 4.36Å; W165-F167 HydrophobicContact CB-CE2 4.2Å; W165-F167 HydrophobicContact CB-CZ 3.86Å; W165-F167 AromaticContact CD1-CD2 4Å; W165-F167 AromaticContact CD1-CE2 3.21Å; W165-F167 AromaticContact CD1-CZ 3.68Å; W165-F167 AromaticContact CG-CE2 3.82Å; W165-F167 HydrophobicContact CG-CE2 3.82Å; W165-F167 AromaticContact CG-CZ 3.79Å; W165-F167 HydrophobicContact CG-CZ 3.79Å; W165-F167 AromaticContact NE1-CE2 3.8Å; F167-V174 HydrophobicContact CB-CG1 3.98Å; F167-V174 HydrophobicContact CD1-CG1 3.84Å; F167-V174 HydrophobicContact CG-CG1 4.19Å; F167-Y175 WeakPolarHBondContact CA-O 3.49Å; F167-V176 HydrophobicContact CD1-CB 4.38Å; F167-V176 HydrophobicContact CD1-CG1 4.25Å; F167-V176 HydrophobicContact CD1-CG2 3.95Å; F167-V176 HydrophobicContact CE1-CB 4.35Å; F167-V176 HydrophobicContact CE1-CG1 3.82Å; F167-V176 HydrophobicContact CE1-CG2 3.94Å; F167-A200 HydrophobicContact CZ-CB 4.06Å; F167-L204 HydrophobicContact CD1-CD1 4.25Å; F167-L204 HydrophobicContact CE1-CD1 3.74Å; F167-L204 HydrophobicContact CZ-CD1 4.29Å
168I98.2Very high96.3Very high13 Ų1330.2 Ų30.27%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-114.8113.9168-58.9175.5000106.7E144 Y166 Y175 Y177 P224E144-I168 HydrophobicContact CB-CG1 4.41Å; Y166-I168 HydrophobicContact CD1-CG1 4.09Å; Y166-I168 HydrophobicContact CE1-CD1 4.49Å; Y166-I168 HydrophobicContact CE1-CG1 3.89Å; I168-Y175 PolarHBondContact N-O 3.49Å; I168-Y175 WeakPolarHBondContact O-CD2 3.49Å; I168-Y175 PolarHBondContact O-N 2.95Å; I168-Y177 HydrophobicContact CB-CE2 4.18Å; I168-Y177 HydrophobicContact CD1-CD2 4.44Å; I168-Y177 HydrophobicContact CD1-CE2 3.64Å; I168-Y177 HydrophobicContact CG1-CD2 4.4Å; I168-Y177 HydrophobicContact CG1-CE2 3.8Å; I168-P224 HydrophobicContact CD1-CB 3.92Å; I168-P224 HydrophobicContact CG2-CG 4.13Å
169A97.8Very high96.2Very high13 Ų1331.6 Ų31.611%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-93.2119.3175.500000110.1E144 D147 I150 A173 V174E144-A169 PolarHBondContact O-N 3.39Å; D147-A169 HydrophobicContact CB-CB 3.71Å; I150-A169 HydrophobicContact CD1-CB 3.8Å; A169-A173 WeakPolarHBondContact CA-O 3.49Å; A169-V174 HydrophobicContact CB-CG2 4.49Å
170N94.5Very high96Very high77 Ų7736 Ų3641%0.41219%0.192SC..EExtended strand (participates in β ladder)trans-150.7135.1177.7-172.813.3000110.6G172 A173 Y175N170-G172 VanDerWaalsContact C-N 3.27Å; N170-G172 PolarHBondContact O-N 3.49Å; N170-A173 PolarHBondContact N-O 2.99Å; N170-A173 PolarHBondContact O-N 3.36Å; N170-Y175 HydrophobicContact CB-CE2 4.32Å
171N89.9Confident95.8Very high157 Ų15738.2 Ų38.284%0.8420%0.197SC*.THydrogen-bonded Turntrans4942.7176.2-62.9-26.7000114.3A173N171-A173 PolarHBondContact O-N 2.94Å
172G89.9Confident95.6Very high42 Ų4237.3 Ų37.343%0.43319%0.192SC..THydrogen-bonded Turntrans79.3-6.1179.200000115.5R149 N170R149-G172 PolarHBondContact NH2-O 2.82Å; N170-G172 VanDerWaalsContact C-N 3.27Å; N170-G172 PolarHBondContact O-N 3.49Å
173A95.8Very high95.1Very high12 Ų1242.5 Ų42.510%0.09922%0.217CC..EExtended strand (participates in β ladder)trans-99.4148.9175.300000111.6A169 N170 N171 Y175 T235 V236A169-A173 WeakPolarHBondContact CA-O 3.49Å; N170-A173 PolarHBondContact N-O 2.99Å; N170-A173 PolarHBondContact O-N 3.36Å; N171-A173 PolarHBondContact O-N 2.94Å; A173-Y175 HydrophobicContact CB-CE2 4.12Å; A173-T235 HydrophobicContact CB-CG2 3.78Å; A173-V236 CarbonylContact C-O 3.51Å; A173-V236 WeakPolarHBondContact CA-O 3.34Å
174V98.3Very high94.6Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-115.9105.9172.1179.20000108.5D147 I150 F167 A169 V176 L204 T235 V236D147-V174 HydrophobicContact CB-CG2 3.96Å; D147-V174 WeakPolarHBondContact OD2-CG2 3.37Å; I150-V174 HydrophobicContact CD1-CG1 4.38Å; I150-V174 HydrophobicContact CG1-CG1 4.29Å; I150-V174 HydrophobicContact CG1-CG2 4.45Å; F167-V174 HydrophobicContact CB-CG1 3.98Å; F167-V174 HydrophobicContact CD1-CG1 3.84Å; F167-V174 HydrophobicContact CG-CG1 4.19Å; A169-V174 HydrophobicContact CB-CG2 4.49Å; V174-V176 HydrophobicContact CG1-CG2 4.42Å; V174-L204 HydrophobicContact CG1-CD1 4.19Å; V174-T235 WeakPolarHBondContact O-CA 3.47Å; V174-V236 HydrophobicContact CB-CB 4.34Å; V174-V236 PolarHBondContact N-O 3.13Å; V174-V236 PolarHBondContact O-N 3.46Å
175Y98.3Very high94.1Very high37 Ų3751.3 Ų51.315%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-78.3125.5174-59.4-94000109F167 I168 N170 A173 A223 P224 Y232 T235F167-Y175 WeakPolarHBondContact CA-O 3.49Å; I168-Y175 PolarHBondContact N-O 3.49Å; I168-Y175 WeakPolarHBondContact O-CD2 3.49Å; I168-Y175 PolarHBondContact O-N 2.95Å; N170-Y175 HydrophobicContact CB-CE2 4.32Å; A173-Y175 HydrophobicContact CB-CE2 4.12Å; Y175-A223 HydrophobicContact CD1-CB 3.7Å; Y175-A223 HydrophobicContact CE1-CB 4.07Å; Y175-P224 HydrophobicContact CD2-CG 4.16Å; Y175-P224 HydrophobicContact CE2-CG 4.31Å; Y175-P224 HydrophobicContact CG-CG 4.37Å; Y175-Y232 HydrophobicContact CD1-CE2 4.15Å; Y175-T235 HydrophobicContact CD1-CG2 3.98Å; Y175-T235 WeakPolarHBondContact CD1-OG1 3.5Å; Y175-T235 HydrophobicContact CE1-CG2 4Å; Y175-T235 WeakPolarHBondContact CE1-OG1 3.37Å; Y175-T235 HydrophobicContact CG-CG2 4.32Å
176V98.7Very high93.5Very high0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-106.4125.9-173.1-176.40000109.8F167 V174 V197 L201 L204 I233 G234 V236F167-V176 HydrophobicContact CD1-CB 4.38Å; F167-V176 HydrophobicContact CD1-CG1 4.25Å; F167-V176 HydrophobicContact CD1-CG2 3.95Å; F167-V176 HydrophobicContact CE1-CB 4.35Å; F167-V176 HydrophobicContact CE1-CG1 3.82Å; F167-V176 HydrophobicContact CE1-CG2 3.94Å; V174-V176 HydrophobicContact CG1-CG2 4.42Å; V176-V197 HydrophobicContact CG1-CG1 3.82Å; V176-L201 HydrophobicContact CG1-CD2 4.43Å; V176-L201 HydrophobicContact CG2-CD2 3.9Å; V176-L204 HydrophobicContact CG2-CD1 4.14Å; V176-I233 PolarHBondContact O-N 3.41Å; V176-G234 PolarHBondContact N-O 3.07Å; V176-G234 PolarHBondContact O-N 3.01Å; V176-V236 HydrophobicContact CG2-CG2 4.16Å
177Y98.4Very high92.9Very high1 Ų153.4 Ų53.40%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-122.6147.6177.2-53.9-97.6000110W165 Y166 I168 P224 A226 L231 Y232W165-Y177 CarbonylContact C-O 3.48Å; W165-Y177 VanDerWaalsContact CA-O 3.25Å; W165-Y177 WeakPolarHBondContact CA-O 3.45Å; Y166-Y177 PolarHBondContact N-O 2.83Å; Y166-Y177 WeakPolarHBondContact O-CD2 3.11Å; Y166-Y177 PolarHBondContact O-N 2.92Å; I168-Y177 HydrophobicContact CB-CE2 4.18Å; I168-Y177 HydrophobicContact CD1-CD2 4.44Å; I168-Y177 HydrophobicContact CD1-CE2 3.64Å; I168-Y177 HydrophobicContact CG1-CD2 4.4Å; I168-Y177 HydrophobicContact CG1-CE2 3.8Å; Y177-P224 WeakPolarHBondContact OH-CD 3.5Å; Y177-P224 PolarHBondContact OH-O 2.92Å; Y177-A226 HydrophobicContact CD1-CB 3.59Å; Y177-A226 HydrophobicContact CE1-CB 3.73Å; Y177-L231 CarbonylContact C-O 3.44Å; Y177-L231 WeakPolarHBondContact CA-O 3.39Å; Y177-Y232 HydrophobicContact CD1-CD2 4.17Å; Y177-Y232 AromaticContact CE1-CD2 3.71Å; Y177-Y232 HydrophobicContact CE1-CD2 3.71Å; Y177-Y232 HydrophobicContact CE1-CG 4.19Å; Y177-Y232 AromaticContact CZ-CD2 3.97Å
178R98Very high92.3Very high36 Ų3660.6 Ų60.614%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-108.3135.2173.3-176.3-172.559.6159.2-22.4109.8P164 K180 E194 V197 H230 L231 I233P164-R178 CarbonylContact O-C 3.59Å; P164-R178 VanDerWaalsContact O-CA 3.28Å; P164-R178 WeakPolarHBondContact O-CA 3.21Å; R178-K180 PolarHBondContact O-N 3.25Å; R178-E194 IonicContact CZ-OE1 3.18Å; R178-E194 VanDerWaalsContact NH1-CD 3.27Å; R178-E194 IonicContact NH1-OE1 2.72Å; R178-E194 PolarHBondContact NH1-OE1 2.5Å; R178-E194 IonicContact NH2-OE1 3.1Å; R178-E194 PolarHBondContact NH2-OE1 3.31Å; R178-E194 VanDerWaalsContact NH2-OE1 3.1Å; R178-V197 HydrophobicContact CB-CG2 3.82Å; R178-V197 HydrophobicContact CG-CG2 3.73Å; R178-H230 CarbonylContact O-C 3.45Å; R178-H230 WeakPolarHBondContact O-CA 3.32Å; R178-L231 PolarHBondContact N-O 2.88Å; R178-L231 PolarHBondContact O-N 3.48Å; R178-I233 HydrophobicContact CB-CD1 3.68Å; R178-I233 HydrophobicContact CB-CG1 3.65Å
179K95.9Very high91.7Very high47 Ų4767.7 Ų67.720%0.20437%0.366CS..EExtended strand (participates in β ladder)trans-69.5128.2167.2-163.6176.6176.2174.90110P164 K181 N183 H230P164-K179 HydrophobicContact CB-CB 4.24Å; P164-K179 PolarHBondContact O-N 3.25Å; K179-K181 VanDerWaalsContact CD-O 3.25Å; K179-K181 WeakPolarHBondContact CD-O 3.25Å; K179-K181 WeakPolarHBondContact CE-O 3.33Å; K179-K181 VanDerWaalsContact CG-O 3.29Å; K179-K181 WeakPolarHBondContact CG-O 3.46Å; K179-K181 PolarHBondContact O-N 3.26Å; K179-N183 WeakPolarHBondContact CE-OD1 3.43Å; K179-N183 VanDerWaalsContact NZ-CG 3.29Å; K179-N183 PolarHBondContact NZ-ND2 3.01Å; K179-N183 PolarHBondContact NZ-OD1 3.33Å; K179-H230 PolarHBondContact N-CD2 3.05Å
180K91Very high91.5Very high114 Ų11469 Ų6950%0.49637%0.369SS..SBendtrans-56.9-36.5-177.5-71.2173.5-177.8179.10113R178 G229 L231R178-K180 PolarHBondContact O-N 3.25Å; K180-G229 WeakPolarHBondContact CB-O 3.47Å; K180-G229 VanDerWaalsContact CG-O 3.31Å; K180-G229 WeakPolarHBondContact CG-O 3.43Å; K180-G229 PolarHBondContact N-O 2.81Å; K180-L231 HydrophobicContact CD-CG 4.22Å; K180-L231 VanDerWaalsContact CE-CG 3.47Å; K180-L231 HydrophobicContact CG-CD1 3.78Å; K180-L231 HydrophobicContact CG-CD2 4.48Å; K180-L231 HydrophobicContact CG-CG 3.68Å
181K87.8Confident91.4Very high153 Ų15371.5 Ų71.567%0.66538%0.382SS*.SBendtrans-146.4148.9-179.6-61.7-174.7-178.9-177.70110.7K179K179-K181 VanDerWaalsContact CD-O 3.25Å; K179-K181 WeakPolarHBondContact CD-O 3.25Å; K179-K181 WeakPolarHBondContact CE-O 3.33Å; K179-K181 VanDerWaalsContact CG-O 3.29Å; K179-K181 WeakPolarHBondContact CG-O 3.46Å; K179-K181 PolarHBondContact O-N 3.26Å
182I88.5Confident91.7Very high23 Ų2364.9 Ų64.912%0.11835%0.346CS..  trans-79.2138.8164.1-62.5178.2000107.8P164 G187 Y190 T193P164-I182 HydrophobicContact CB-CG1 4.41Å; I182-G187 CarbonylContact O-C 3.58Å; I182-G187 WeakPolarHBondContact O-CA 3.46Å; I182-Y190 HydrophobicContact CD1-CD1 3.27Å; I182-Y190 HydrophobicContact CD1-CE1 3.57Å; I182-Y190 HydrophobicContact CD1-CG 3.99Å; I182-Y190 HydrophobicContact CG1-CD1 4.13Å; I182-T193 HydrophobicContact CD1-CG2 4.27Å; I182-T193 HydrophobicContact CG1-CG2 4.01Å
183N85.5Confident92Very high120 Ų12063.1 Ų63.164%0.64233%0.327SS*.SBendtrans-75.6158.5-179.1-66.9-0.8000111.1K179K179-N183 WeakPolarHBondContact CE-OD1 3.43Å; K179-N183 VanDerWaalsContact NZ-CG 3.29Å; K179-N183 PolarHBondContact NZ-ND2 3.01Å; K179-N183 PolarHBondContact NZ-OD1 3.33Å
184G88.4Confident92.1Very high55 Ų5565.2 Ų65.257%0.56734%0.335SS*.SBendtrans83.9169.7177.100000113.7G187 M188G184-G187 PolarHBondContact O-N 3.07Å; G184-M188 PolarHBondContact O-N 3.2Å
185L86.4Confident92.1Very high135 Ų13565.3 Ų65.371%0.70734%0.335SS*.Hα-helixtrans-59-45.1-173.7-173.466.4000113.2G187 M188L185-G187 VanDerWaalsContact C-N 3.25Å; L185-G187 PolarHBondContact O-N 2.96Å; L185-M188 PolarHBondContact O-N 3.19Å
186P85.7Confident92.1Very high83 Ų8363.7 Ų63.754%0.53933%0.329SS..Hα-helixtrans-62.4-33.3175.2-23.235.7000113L160 M188 M189L160-P186 HydrophobicContact CD1-CB 3.81Å; L160-P186 HydrophobicContact CD2-CB 4.32Å; P186-M188 VanDerWaalsContact C-N 3.31Å; P186-M188 PolarHBondContact O-N 3.5Å; P186-M189 PolarHBondContact O-N 2.84Å
187G86Confident92.1Very high3 Ų363.7 Ų63.73%0.03133%0.33CS..Hα-helixtrans-70.1-24.5179.700000114I182 G184 L185 M189 Y190I182-G187 CarbonylContact O-C 3.58Å; I182-G187 WeakPolarHBondContact O-CA 3.46Å; G184-G187 PolarHBondContact O-N 3.07Å; L185-G187 VanDerWaalsContact C-N 3.25Å; L185-G187 PolarHBondContact O-N 2.96Å; G187-M189 VanDerWaalsContact C-N 3.32Å; G187-M189 PolarHBondContact O-N 2.77Å; G187-Y190 PolarHBondContact O-N 3.37Å
188M85Confident92.2Very high152 Ų15263.7 Ų63.775%0.74933%0.329SS*.Hα-helixtrans-67.9-31.7177.9-168.6-176.2-66.500112.6G184 L185 P186G184-M188 PolarHBondContact O-N 3.2Å; L185-M188 PolarHBondContact O-N 3.19Å; P186-M188 VanDerWaalsContact C-N 3.31Å; P186-M188 PolarHBondContact O-N 3.5Å
189M87Confident92.2Very high162 Ų16262 Ų6280%0.79832%0.323SS*.THydrogen-bonded Turntrans-92.8-0.8177.2-65.7-162.2-75.100113.2P186 G187P186-M189 PolarHBondContact O-N 2.84Å; G187-M189 VanDerWaalsContact C-N 3.32Å; G187-M189 PolarHBondContact O-N 2.77Å
190Y92Very high92.3Very high41 Ų4159.8 Ų59.816%0.16131%0.314CS..  trans-94.8118.9-176.9-172.8-97.5000111.7G159 L160 I182 G187 L192 T193 D196G159-Y190 VanDerWaalsContact CA-OH 3.25Å; G159-Y190 WeakPolarHBondContact CA-OH 3.29Å; G159-Y190 PolarHBondContact N-OH 2.7Å; L160-Y190 HydrophobicContact CD1-CD2 4.18Å; L160-Y190 HydrophobicContact CD1-CG 4.11Å; L160-Y190 HydrophobicContact CG-CD2 4.31Å; I182-Y190 HydrophobicContact CD1-CD1 3.27Å; I182-Y190 HydrophobicContact CD1-CE1 3.57Å; I182-Y190 HydrophobicContact CD1-CG 3.99Å; I182-Y190 HydrophobicContact CG1-CD1 4.13Å; G187-Y190 PolarHBondContact O-N 3.37Å; Y190-L192 HydrophobicContact CE1-CB 4.07Å; Y190-L192 HydrophobicContact CE2-CB 3.94Å; Y190-L192 HydrophobicContact CE2-CD1 4.35Å; Y190-L192 WeakPolarHBondContact OH-CB 3.49Å; Y190-T193 HydrophobicContact CD1-CG2 3.83Å; Y190-T193 HydrophobicContact CE1-CG2 3.85Å; Y190-D196 WeakPolarHBondContact CE1-OD2 3.38Å; Y190-D196 VanDerWaalsContact CZ-OD2 3.26Å; Y190-D196 PolarHBondContact OH-OD1 2.73Å; Y190-D196 PolarHBondContact OH-OD2 2.99Å
191N92.6Very high92.7Very high129 Ų12954.4 Ų54.469%0.6929%0.29SS*.  trans-119.38.3-174.564.2-16.4000114.2
192L95.7Very high93.2Very high17 Ų1747.1 Ų47.19%0.08926%0.258CS..  trans-98.425.2-176.7-65.6167000113I116 Y190 E194 L195 D196I116-L192 HydrophobicContact CD1-CD1 3.91Å; Y190-L192 HydrophobicContact CE1-CB 4.07Å; Y190-L192 HydrophobicContact CE2-CB 3.94Å; Y190-L192 HydrophobicContact CE2-CD1 4.35Å; Y190-L192 WeakPolarHBondContact OH-CB 3.49Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.18Å; L192-L195 HydrophobicContact CB-CB 4.38Å; L192-L195 WeakPolarHBondContact O-CB 3.34Å; L192-L195 PolarHBondContact O-N 3.27Å; L192-D196 PolarHBondContact O-N 3.29Å
193T97.1Very high93.7Very high6 Ų646 Ų464%0.03725%0.253CS..Hα-helixtrans-66.7-27.1-179.155.60000113.1P164 I182 Y190 V197P164-T193 HydrophobicContact CB-CG2 3.76Å; P164-T193 HydrophobicContact CG-CG2 3.97Å; I182-T193 HydrophobicContact CD1-CG2 4.27Å; I182-T193 HydrophobicContact CG1-CG2 4.01Å; Y190-T193 HydrophobicContact CD1-CG2 3.83Å; Y190-T193 HydrophobicContact CE1-CG2 3.85Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 3.49Å
194E97.9Very high94.4Very high55 Ų5540.3 Ų40.326%0.25722%0.222SC..Hα-helixtrans-67.9-42.6173.6-64.3-171175.200111.5D78 T79 R178 L192 V197 G198D78-E194 HydrophobicContact CB-CB 3.64Å; T79-E194 VanDerWaalsContact CA-O 3.28Å; T79-E194 WeakPolarHBondContact CA-O 3.42Å; T79-E194 WeakPolarHBondContact CB-O 3.42Å; T79-E194 PolarHBondContact OG1-O 3.23Å; R178-E194 IonicContact CZ-OE1 3.18Å; R178-E194 VanDerWaalsContact NH1-CD 3.27Å; R178-E194 IonicContact NH1-OE1 2.72Å; R178-E194 PolarHBondContact NH1-OE1 2.5Å; R178-E194 IonicContact NH2-OE1 3.1Å; R178-E194 PolarHBondContact NH2-OE1 3.31Å; R178-E194 VanDerWaalsContact NH2-OE1 3.1Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.18Å; E194-V197 PolarHBondContact O-N 3.3Å; E194-G198 PolarHBondContact O-N 3.36Å
195L98.6Very high94.8Very high2 Ų237.7 Ų37.71%0.0120%0.195CC..Hα-helixtrans-61.7-46.5175-176.5123.2000111.1D78 W101 I115 I116 L192 V197 G198 I199D78-L195 HydrophobicContact CB-CB 4.45Å; D78-L195 WeakPolarHBondContact O-CA 3.45Å; W101-L195 HydrophobicContact CE3-CD2 4.28Å; W101-L195 HydrophobicContact CZ3-CD1 4.11Å; W101-L195 HydrophobicContact CZ3-CD2 4.37Å; I115-L195 HydrophobicContact CG2-CD1 4.15Å; I116-L195 HydrophobicContact CB-CD1 4.19Å; I116-L195 HydrophobicContact CD1-CD1 4.04Å; I116-L195 HydrophobicContact CD1-CD2 3.62Å; I116-L195 HydrophobicContact CD1-CG 4.46Å; I116-L195 HydrophobicContact CG2-CD1 3.53Å; L192-L195 HydrophobicContact CB-CB 4.38Å; L192-L195 WeakPolarHBondContact O-CB 3.34Å; L192-L195 PolarHBondContact O-N 3.27Å; L195-V197 VanDerWaalsContact C-N 3.28Å; L195-V197 PolarHBondContact O-N 3.41Å; L195-G198 WeakPolarHBondContact O-CA 3.3Å; L195-G198 PolarHBondContact O-N 2.93Å; L195-I199 HydrophobicContact CD2-CD1 3.73Å; L195-I199 HydrophobicContact CD2-CG1 4.46Å; L195-I199 HydrophobicContact CG-CD1 4.48Å; L195-I199 WeakPolarHBondContact O-CG1 3.45Å; L195-I199 PolarHBondContact O-N 3.3Å
196D98.6Very high95.4Very high3 Ų331.6 Ų31.62%0.01616%0.164CC..Hα-helixtrans-57.1-40.3176.2-69.8-34.3000112.5S158 G159 P164 W165 Y190 L192 G198 I199 A200S158-D196 WeakPolarHBondContact CA-OD1 3.42Å; G159-D196 PolarHBondContact N-OD1 3.16Å; P164-D196 HydrophobicContact CG-CB 3.5Å; P164-D196 VanDerWaalsContact CG-CB 3.5Å; W165-D196 HydrophobicContact CE3-CB 4.37Å; W165-D196 HydrophobicContact CZ3-CB 4.02Å; W165-D196 VanDerWaalsContact CZ3-O 3.22Å; W165-D196 WeakPolarHBondContact CZ3-O 3.33Å; Y190-D196 WeakPolarHBondContact CE1-OD2 3.38Å; Y190-D196 VanDerWaalsContact CZ-OD2 3.26Å; Y190-D196 PolarHBondContact OH-OD1 2.73Å; Y190-D196 PolarHBondContact OH-OD2 2.99Å; L192-D196 PolarHBondContact O-N 3.29Å; D196-G198 VanDerWaalsContact C-N 3.34Å; D196-I199 WeakPolarHBondContact O-CB 3.45Å; D196-I199 PolarHBondContact O-N 3.17Å; D196-A200 PolarHBondContact O-N 2.84Å
197V98.7Very high96Very high1 Ų128 Ų281%0.00614%0.141CC..Hα-helixtrans-66.8-37.7175.11710000111.5T79 W165 V176 R178 T193 E194 L195 I199 A200 L201 I233T79-V197 HydrophobicContact CG2-CG1 4.39Å; W165-V197 HydrophobicContact CB-CG2 4.2Å; V176-V197 HydrophobicContact CG1-CG1 3.82Å; R178-V197 HydrophobicContact CB-CG2 3.82Å; R178-V197 HydrophobicContact CG-CG2 3.73Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 3.49Å; E194-V197 PolarHBondContact O-N 3.3Å; L195-V197 VanDerWaalsContact C-N 3.28Å; L195-V197 PolarHBondContact O-N 3.41Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.69Å; V197-A200 PolarHBondContact O-N 2.98Å; V197-L201 HydrophobicContact CG1-CD1 4.14Å; V197-L201 HydrophobicContact CG1-CG 4.48Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.04Å; V197-I233 HydrophobicContact CG1-CG1 4.46Å; V197-I233 HydrophobicContact CG1-CG2 4.36Å
198G98.8Very high96.5Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-57.9-45.4172.700000112.4T79 F83 E194 L195 D196 A200 L201 C202T79-G198 WeakPolarHBondContact O-CA 2.99Å; F83-G198 VanDerWaalsContact CA-O 3.22Å; F83-G198 WeakPolarHBondContact CA-O 3.27Å; F83-G198 PolarHBondContact N-O 3.49Å; E194-G198 PolarHBondContact O-N 3.36Å; L195-G198 WeakPolarHBondContact O-CA 3.3Å; L195-G198 PolarHBondContact O-N 2.93Å; D196-G198 VanDerWaalsContact C-N 3.34Å; G198-A200 VanDerWaalsContact C-N 3.35Å; G198-A200 PolarHBondContact O-N 2.97Å; G198-L201 WeakPolarHBondContact O-CB 3.27Å; G198-L201 PolarHBondContact O-N 2.98Å; G198-C202 PolarHBondContact O-N 3.45Å
199I98.9Very high97.1Very high2 Ų225.4 Ų25.41%0.0113%0.126CC..Hα-helixtrans-58.4-46.9174.7-66.2172.9000110.5Q86 W101 A156 P157 L195 D196 V197 L201 C202 H203Q86-I199 HydrophobicContact CB-CB 4.27Å; Q86-I199 HydrophobicContact CB-CG1 4.13Å; Q86-I199 HydrophobicContact CB-CG2 4.2Å; Q86-I199 HydrophobicContact CG-CB 4.19Å; Q86-I199 HydrophobicContact CG-CG1 4.45Å; Q86-I199 HydrophobicContact CG-CG2 3.6Å; W101-I199 HydrophobicContact CD2-CD1 4.26Å; W101-I199 HydrophobicContact CG-CD1 4.45Å; W101-I199 HydrophobicContact CZ2-CD1 4Å; W101-I199 HydrophobicContact CZ2-CG1 3.96Å; A156-I199 HydrophobicContact CB-CG2 4Å; P157-I199 VanDerWaalsContact CD-CG2 3.47Å; P157-I199 HydrophobicContact CG-CD1 4.47Å; P157-I199 HydrophobicContact CG-CG2 3.54Å; L195-I199 HydrophobicContact CD2-CD1 3.73Å; L195-I199 HydrophobicContact CD2-CG1 4.46Å; L195-I199 HydrophobicContact CG-CD1 4.48Å; L195-I199 WeakPolarHBondContact O-CG1 3.45Å; L195-I199 PolarHBondContact O-N 3.3Å; D196-I199 WeakPolarHBondContact O-CB 3.45Å; D196-I199 PolarHBondContact O-N 3.17Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.69Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 3.23Å; I199-C202 WeakPolarHBondContact O-CB 3.46Å; I199-C202 PolarHBondContact O-N 3.36Å; I199-H203 PolarHBondContact O-CD2 3.18Å; I199-H203 VanDerWaalsContact O-CD2 3.25Å; I199-H203 PolarHBondContact O-N 2.92Å
200A98.9Very high97.5Very high0 Ų022.9 Ų22.90%011%0.112CC..Hα-helixtrans-66.1-34178.300000112.8A156 W165 F167 D196 V197 G198 H203 L204A156-A200 HydrophobicContact CB-CB 4.2Å; W165-A200 HydrophobicContact CD2-CB 3.72Å; W165-A200 HydrophobicContact CE3-CB 3.59Å; W165-A200 HydrophobicContact CG-CB 4.25Å; W165-A200 HydrophobicContact CH2-CB 4.26Å; W165-A200 HydrophobicContact CZ2-CB 4.38Å; W165-A200 HydrophobicContact CZ3-CB 3.87Å; F167-A200 HydrophobicContact CZ-CB 4.06Å; D196-A200 PolarHBondContact O-N 2.84Å; V197-A200 PolarHBondContact O-N 2.98Å; G198-A200 VanDerWaalsContact C-N 3.35Å; G198-A200 PolarHBondContact O-N 2.97Å; A200-H203 WeakPolarHBondContact O-CB 3.45Å; A200-H203 PolarHBondContact O-N 3.27Å; A200-L204 PolarHBondContact O-N 3Å
201L98.9Very high97.6Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-64-38.2172.4-79.7165.7000112.1L39 T79 F83 V176 V197 G198 I199 H203 L204 A205 F215 F217 V236L39-L201 HydrophobicContact CD1-CD1 4.27Å; L39-L201 HydrophobicContact CD2-CD1 3.9Å; T79-L201 HydrophobicContact CG2-CD1 3.63Å; F83-L201 HydrophobicContact CD2-CB 3.77Å; F83-L201 HydrophobicContact CE2-CB 4.33Å; V176-L201 HydrophobicContact CG1-CD2 4.43Å; V176-L201 HydrophobicContact CG2-CD2 3.9Å; V197-L201 HydrophobicContact CG1-CD1 4.14Å; V197-L201 HydrophobicContact CG1-CG 4.48Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.04Å; G198-L201 WeakPolarHBondContact O-CB 3.27Å; G198-L201 PolarHBondContact O-N 2.98Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 3.23Å; L201-H203 VanDerWaalsContact C-N 3.29Å; L201-H203 PolarHBondContact O-N 2.65Å; L201-L204 HydrophobicContact CD2-CD1 4.28Å; L201-L204 WeakPolarHBondContact O-CB 3.34Å; L201-L204 PolarHBondContact O-N 2.93Å; L201-A205 PolarHBondContact O-N 3.38Å; L201-F215 HydrophobicContact CD2-CZ 4.45Å; L201-F217 HydrophobicContact CD1-CE2 4.08Å; L201-F217 HydrophobicContact CD1-CZ 4.28Å; L201-F217 HydrophobicContact CD2-CD2 3.76Å; L201-F217 HydrophobicContact CD2-CE2 3.73Å; L201-V236 HydrophobicContact CD2-CG2 3.63Å
202C98.8Very high97.7Very high0 Ų021.7 Ų21.70%013%0.131CC..Hα-helixtrans-59.1-43.4172.3164.50000110.8F83 Q86 H87 G198 I199 L204 A205 V206F83-C202 HydrophobicContact CD2-CB 4.12Å; F83-C202 WeakPolarHBondContact O-CB 3.44Å; Q86-C202 VanDerWaalsContact C-SG 3.56Å; Q86-C202 HydrophobicContact CB-CB 3.71Å; Q86-C202 HydrophobicContact CG-CB 3.89Å; H87-C202 PolarHBondContact CE1-SG 2.98Å; H87-C202 VanDerWaalsContact CG-SG 3.57Å; H87-C202 PolarHBondContact N-SG 2.91Å; H87-C202 VanDerWaalsContact N-SG 3.37Å; H87-C202 PolarHBondContact ND1-SG 2.67Å; G198-C202 PolarHBondContact O-N 3.45Å; I199-C202 WeakPolarHBondContact O-CB 3.46Å; I199-C202 PolarHBondContact O-N 3.36Å; C202-L204 VanDerWaalsContact C-N 3.33Å; C202-L204 PolarHBondContact O-N 3.3Å; C202-A205 WeakPolarHBondContact O-CB 3.18Å; C202-A205 PolarHBondContact O-N 3.14Å; C202-A205 VanDerWaalsContact O-N 3.12Å; C202-V206 WeakPolarHBondContact O-CG2 3.41Å; C202-V206 PolarHBondContact O-N 3.33Å
203H98.8Very high97.7Very high1 Ų126.2 Ų26.21%0.00515%0.147CC..Hα-helixtrans-64-36.9176.7-77.1-129.1000112.6I7 Q86 A152 A153 A156 I199 A200 L201 A207I7-H203 HydrophobicContact CD1-CB 4.22Å; I7-H203 WeakPolarHBondContact CG2-ND1 3.48Å; Q86-H203 PolarHBondContact NE2-NE2 2.93Å; Q86-H203 VanDerWaalsContact NE2-NE2 3.18Å; A152-H203 PolarHBondContact O-ND1 3.22Å; A153-H203 HydrophobicContact CB-CB 4.46Å; A156-H203 VanDerWaalsContact CA-CE1 3.4Å; A156-H203 WeakPolarHBondContact CA-CE1 3.39Å; A156-H203 HydrophobicContact CB-CB 4.48Å; I199-H203 PolarHBondContact O-CD2 3.18Å; I199-H203 VanDerWaalsContact O-CD2 3.25Å; I199-H203 PolarHBondContact O-N 2.92Å; A200-H203 WeakPolarHBondContact O-CB 3.45Å; A200-H203 PolarHBondContact O-N 3.27Å; L201-H203 VanDerWaalsContact C-N 3.29Å; L201-H203 PolarHBondContact O-N 2.65Å; H203-A207 VanDerWaalsContact O-CB 3.29Å; H203-A207 WeakPolarHBondContact O-CB 3.25Å; H203-A207 PolarHBondContact O-N 3.43Å; H203-A207 VanDerWaalsContact O-N 3.08Å
204L98.6Very high97.6Very high0 Ų031.2 Ų31.20%018%0.183CC..Hα-helixtrans-64-41.3171-70.7174.4000111.8R149 A153 F167 V174 V176 A200 L201 C202 A207 T208 F215 V236R149-L204 HydrophobicContact CB-CD2 3.66Å; R149-L204 WeakPolarHBondContact O-CD2 3.25Å; A153-L204 HydrophobicContact CB-CD2 3.76Å; A153-L204 HydrophobicContact CB-CG 3.82Å; F167-L204 HydrophobicContact CD1-CD1 4.25Å; F167-L204 HydrophobicContact CE1-CD1 3.74Å; F167-L204 HydrophobicContact CZ-CD1 4.29Å; V174-L204 HydrophobicContact CG1-CD1 4.19Å; V176-L204 HydrophobicContact CG2-CD1 4.14Å; A200-L204 PolarHBondContact O-N 3Å; L201-L204 HydrophobicContact CD2-CD1 4.28Å; L201-L204 WeakPolarHBondContact O-CB 3.34Å; L201-L204 PolarHBondContact O-N 2.93Å; C202-L204 VanDerWaalsContact C-N 3.33Å; C202-L204 PolarHBondContact O-N 3.3Å; L204-A207 PolarHBondContact O-N 3.2Å; L204-T208 WeakPolarHBondContact O-CB 3.12Å; L204-T208 PolarHBondContact O-N 3.35Å; L204-T208 PolarHBondContact O-OG1 3.37Å; L204-F215 HydrophobicContact CB-CE2 4.43Å; L204-V236 HydrophobicContact CD1-CG2 3.99Å
205A98.5Very high97.5Very high0 Ų030.5 Ų30.50%018%0.179CC..Hα-helixtrans-63-54.217800000111.6F83 L201 C202 A207 T208 E209 F215F83-A205 HydrophobicContact CE2-CB 3.75Å; F83-A205 HydrophobicContact CZ-CB 3.94Å; L201-A205 PolarHBondContact O-N 3.38Å; C202-A205 WeakPolarHBondContact O-CB 3.18Å; C202-A205 PolarHBondContact O-N 3.14Å; C202-A205 VanDerWaalsContact O-N 3.12Å; A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 2.63Å; A205-T208 WeakPolarHBondContact O-CA 3.27Å; A205-T208 WeakPolarHBondContact O-CB 3.46Å; A205-T208 PolarHBondContact O-N 2.96Å; A205-E209 WeakPolarHBondContact O-CG 3.24Å; A205-E209 PolarHBondContact O-N 2.72Å; A205-F215 HydrophobicContact CB-CB 4.06Å; A205-F215 HydrophobicContact CB-CD1 3.82Å; A205-F215 HydrophobicContact CB-CD2 3.54Å; A205-F215 HydrophobicContact CB-CE1 4.08Å; A205-F215 HydrophobicContact CB-CE2 3.78Å; A205-F215 HydrophobicContact CB-CG 3.53Å; A205-F215 HydrophobicContact CB-CZ 4.05Å
206V98.4Very high97.4Very high6 Ų635 Ų354%0.03620%0.2CC..Hα-helixtrans-57.3-40178.2172.20000111.5L3 Y4 I7 L90 C202 H210L3-V206 HydrophobicContact CB-CG1 3.8Å; L3-V206 HydrophobicContact CB-CG2 4.14Å; L3-V206 HydrophobicContact CD1-CG2 4.28Å; Y4-V206 VanDerWaalsContact CA-CG1 3.48Å; Y4-V206 HydrophobicContact CD2-CG1 4.27Å; I7-V206 HydrophobicContact CD1-CB 4.05Å; I7-V206 HydrophobicContact CD1-CG1 3.79Å; L90-V206 HydrophobicContact CD1-CG2 4.02Å; C202-V206 WeakPolarHBondContact O-CG2 3.41Å; C202-V206 PolarHBondContact O-N 3.33Å; V206-H210 VanDerWaalsContact O-CB 3.24Å; V206-H210 WeakPolarHBondContact O-CB 3.39Å; V206-H210 PolarHBondContact O-N 2.83Å
207A98Very high97.4Very high7 Ų736 Ų366%0.05820%0.204CC..Hα-helixtrans-68.8-36.6175.100000113.3Y4 R149 A152 H203 L204 A205 S211Y4-A207 HydrophobicContact CD2-CB 4.16Å; Y4-A207 HydrophobicContact CE2-CB 3.76Å; R149-A207 HydrophobicContact CB-CB 4.05Å; R149-A207 HydrophobicContact CG-CB 4.07Å; A152-A207 HydrophobicContact CB-CB 3.71Å; H203-A207 VanDerWaalsContact O-CB 3.29Å; H203-A207 WeakPolarHBondContact O-CB 3.25Å; H203-A207 PolarHBondContact O-N 3.43Å; H203-A207 VanDerWaalsContact O-N 3.08Å; L204-A207 PolarHBondContact O-N 3.2Å; A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 2.63Å; A207-S211 PolarHBondContact O-N 2.75Å
208T96.9Very high97.3Very high0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-64.8-49.3175.9-56.50000110.2R149 L204 A205 H210 S211 R213 F215R149-T208 WeakPolarHBondContact CD-OG1 3.24Å; R149-T208 PolarHBondContact NH1-OG1 3.18Å; L204-T208 WeakPolarHBondContact O-CB 3.12Å; L204-T208 PolarHBondContact O-N 3.35Å; L204-T208 PolarHBondContact O-OG1 3.37Å; A205-T208 WeakPolarHBondContact O-CA 3.27Å; A205-T208 WeakPolarHBondContact O-CB 3.46Å; A205-T208 PolarHBondContact O-N 2.96Å; T208-H210 PolarHBondContact O-N 3.05Å; T208-S211 WeakPolarHBondContact O-CB 3.25Å; T208-S211 PolarHBondContact O-N 3.1Å; T208-S211 VanDerWaalsContact O-N 3.09Å; T208-S211 PolarHBondContact O-OG 3.37Å; T208-R213 CarbonylContact C-O 3.44Å; T208-R213 HydrophobicContact CG2-CB 3.72Å; T208-R213 PolarHBondContact O-N 2.88Å; T208-F215 HydrophobicContact CG2-CB 4.43Å
209E96.5Very high97Very high102 Ų10244.1 Ų44.148%0.47725%0.249SC..Hα-helixtrans-66.2-38.8-179.3-68.1172.5169.400112.3A205 S211 G212 R213 F215A205-E209 WeakPolarHBondContact O-CG 3.24Å; A205-E209 PolarHBondContact O-N 2.72Å; E209-S211 PolarHBondContact O-N 3.38Å; E209-G212 WeakPolarHBondContact O-CA 3.27Å; E209-G212 PolarHBondContact O-N 3.49Å; E209-R213 WeakPolarHBondContact CA-O 3.47Å; E209-F215 HydrophobicContact CG-CB 4.47Å
210H96.8Very high96.5Very high108 Ų10845 Ų4550%0.526%0.255SS..Hα-helixtrans-59.7-30.9173-176.579.6000112.6Y4 V206 T208 G212Y4-H210 HydrophobicContact CD1-CB 4.22Å; Y4-H210 AromaticContact CD1-CD2 3.38Å; Y4-H210 WeakPolarHBondContact CD1-CD2 3.28Å; Y4-H210 AromaticContact CD1-CE1 3.59Å; Y4-H210 AromaticContact CD1-CG 3.47Å; Y4-H210 VanDerWaalsContact CD1-CG 3.47Å; Y4-H210 AromaticContact CD1-ND1 3.6Å; Y4-H210 AromaticContact CD1-NE2 3.45Å; Y4-H210 WeakPolarHBondContact CD1-NE2 3.2Å; Y4-H210 HydrophobicContact CD2-CB 3.95Å; Y4-H210 AromaticContact CE1-CD2 3.49Å; Y4-H210 VanDerWaalsContact CE1-CD2 3.49Å; Y4-H210 WeakPolarHBondContact CE1-CD2 3.37Å; Y4-H210 AromaticContact CE1-NE2 3.63Å; Y4-H210 HydrophobicContact CG-CB 3.74Å; Y4-H210 AromaticContact CG-CD2 3.84Å; Y4-H210 AromaticContact CG-CG 3.49Å; Y4-H210 VanDerWaalsContact CG-CG 3.49Å; Y4-H210 AromaticContact CG-ND1 3.77Å; V206-H210 VanDerWaalsContact O-CB 3.24Å; V206-H210 WeakPolarHBondContact O-CB 3.39Å; V206-H210 PolarHBondContact O-N 2.83Å; T208-H210 PolarHBondContact O-N 3.05Å; H210-G212 PolarHBondContact O-N 3.32Å
211S94.5Very high96Very high71 Ų7155.2 Ų55.250%0.49730%0.299SS..THydrogen-bonded Turntrans-78.32.9174.377.40000114.2A207 T208 E209 R213A207-S211 PolarHBondContact O-N 2.75Å; T208-S211 WeakPolarHBondContact O-CB 3.25Å; T208-S211 PolarHBondContact O-N 3.1Å; T208-S211 VanDerWaalsContact O-N 3.09Å; T208-S211 PolarHBondContact O-OG 3.37Å; E209-S211 PolarHBondContact O-N 3.38Å; S211-R213 VanDerWaalsContact C-N 3.33Å
212G94.6Very high95.4Very high74 Ų7458.5 Ų58.576%0.76333%0.333SS*.THydrogen-bonded Turntrans78.513.7-177.500000114.2E209 H210E209-G212 WeakPolarHBondContact O-CA 3.27Å; E209-G212 PolarHBondContact O-N 3.49Å; H210-G212 PolarHBondContact O-N 3.32Å
213R94.3Very high95.1Very high112 Ų11259.9 Ų59.942%0.42335%0.345SS..PPolyproline II helixtrans-103146.4178.6-63.2176.564.3-163.1-5.3110.2T208 E209 S211 K237T208-R213 CarbonylContact C-O 3.44Å; T208-R213 HydrophobicContact CG2-CB 3.72Å; T208-R213 PolarHBondContact O-N 2.88Å; E209-R213 WeakPolarHBondContact CA-O 3.47Å; S211-R213 VanDerWaalsContact C-N 3.33Å; R213-K237 PolarHBondContact NH2-OXT 3.3Å
214S94.7Very high94.9Very high112 Ų11261.9 Ų61.978%0.78336%0.358SS*.PPolyproline II helixtrans-73.3134.8170.5-56.60000110.6
215F96.6Very high94.6Very high39 Ų3966.3 Ų66.317%0.17139%0.394CS..PPolyproline II helixtrans-77.5130.2171.1175.6-100.7000110.5L39 F83 L201 L204 A205 T208 E209 F217 V236L39-F215 HydrophobicContact CD1-CE1 4.01Å; L39-F215 HydrophobicContact CD1-CZ 4.16Å; F83-F215 HydrophobicContact CE2-CD1 4.41Å; F83-F215 AromaticContact CE2-CE1 3.64Å; F83-F215 HydrophobicContact CE2-CE1 3.64Å; F83-F215 AromaticContact CE2-CZ 3.81Å; F83-F215 HydrophobicContact CE2-CZ 3.81Å; F83-F215 HydrophobicContact CZ-CD1 4.13Å; F83-F215 AromaticContact CZ-CE1 3.66Å; F83-F215 HydrophobicContact CZ-CE1 3.66Å; F83-F215 HydrophobicContact CZ-CZ 4.31Å; L201-F215 HydrophobicContact CD2-CZ 4.45Å; L204-F215 HydrophobicContact CB-CE2 4.43Å; A205-F215 HydrophobicContact CB-CB 4.06Å; A205-F215 HydrophobicContact CB-CD1 3.82Å; A205-F215 HydrophobicContact CB-CD2 3.54Å; A205-F215 HydrophobicContact CB-CE1 4.08Å; A205-F215 HydrophobicContact CB-CE2 3.78Å; A205-F215 HydrophobicContact CB-CG 3.53Å; A205-F215 HydrophobicContact CB-CZ 4.05Å; T208-F215 HydrophobicContact CG2-CB 4.43Å; E209-F215 HydrophobicContact CG-CB 4.47Å; F215-F217 HydrophobicContact CE1-CB 3.93Å; F215-F217 HydrophobicContact CZ-CB 3.95Å; F215-V236 HydrophobicContact CD2-CG1 3.66Å; F215-V236 HydrophobicContact CE2-CB 4.18Å; F215-V236 HydrophobicContact CE2-CG1 3.47Å; F215-V236 VanDerWaalsContact CE2-CG1 3.47Å; F215-V236 HydrophobicContact CE2-CG2 3.6Å; F215-V236 HydrophobicContact CZ-CG2 4.07Å
216E96.8Very high94.2Very high96 Ų9668.3 Ų68.345%0.44941%0.41SS..  trans-133.1127.8174.3-169.1-162.8172.600109V218 V236 K237E216-V218 HydrophobicContact CG-CG1 3.96Å; E216-V218 WeakPolarHBondContact OE1-CG1 3.3Å; E216-V236 VanDerWaalsContact O-CA 3.31Å; E216-V236 WeakPolarHBondContact O-CA 3.36Å; E216-K237 HydrophobicContact CB-CB 4.49Å; E216-K237 PolarHBondContact O-N 3.36Å
217F98.2Very high93.9Very high25 Ų2569.7 Ų69.711%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-116.3119.4175.5-177.4-103.6000110.6L39 L40 L76 L201 F215 I233 G234 T235 V236L39-F217 HydrophobicContact CD1-CB 3.73Å; L39-F217 HydrophobicContact CD1-CD1 3.69Å; L39-F217 HydrophobicContact CD1-CD2 4.35Å; L39-F217 HydrophobicContact CD1-CE1 4.4Å; L39-F217 HydrophobicContact CD1-CG 3.65Å; L39-F217 HydrophobicContact CD2-CD1 4.43Å; L39-F217 HydrophobicContact CD2-CE1 4.42Å; L39-F217 HydrophobicContact CG-CD1 3.93Å; L39-F217 HydrophobicContact CG-CE1 4.39Å; L39-F217 HydrophobicContact CG-CG 4.41Å; L40-F217 HydrophobicContact CD2-CD1 4.09Å; L40-F217 HydrophobicContact CD2-CE1 4.32Å; L76-F217 HydrophobicContact CD1-CE1 3.86Å; L76-F217 HydrophobicContact CD1-CZ 4.32Å; L201-F217 HydrophobicContact CD1-CE2 4.08Å; L201-F217 HydrophobicContact CD1-CZ 4.28Å; L201-F217 HydrophobicContact CD2-CD2 3.76Å; L201-F217 HydrophobicContact CD2-CE2 3.73Å; F215-F217 HydrophobicContact CE1-CB 3.93Å; F215-F217 HydrophobicContact CZ-CB 3.95Å; F217-I233 HydrophobicContact CZ-CG2 4.13Å; F217-G234 VanDerWaalsContact CZ-CA 3.47Å; F217-T235 WeakPolarHBondContact CA-O 3.41Å; F217-V236 HydrophobicContact CD2-CG2 3.98Å
218V96.4Very high93.7Very high35 Ų3577 Ų7721%0.21246%0.458CS..EExtended strand (participates in β ladder)trans-136154.9-174.9-66.80000112.6E216 S220 T235 K237E216-V218 HydrophobicContact CG-CG1 3.96Å; E216-V218 WeakPolarHBondContact OE1-CG1 3.3Å; V218-S220 PolarHBondContact O-N 3.15Å; V218-T235 PolarHBondContact N-O 3.44Å; V218-T235 PolarHBondContact O-N 3.03Å; V218-K237 HydrophobicContact CG2-CD 4.03Å; V218-K237 HydrophobicContact CG2-CG 4.34Å
219N92.4Very high93.5Very high137 Ų13778.9 Ų78.973%0.73348%0.477SS*.  trans-81.7109.1164.5-172.7-11.9000109.3
220S89.9Confident93.5Very high19 Ų1975.5 Ų75.513%0.13346%0.461CS..  trans-91.5130.6-177.9-65.20000111.6V218 G222 Y232 T235V218-S220 PolarHBondContact O-N 3.15Å; S220-G222 PolarHBondContact O-N 3.08Å; S220-Y232 PolarHBondContact N-OH 3.1Å; S220-T235 WeakPolarHBondContact CB-OG1 3.44Å; S220-T235 VanDerWaalsContact OG-CB 3.29Å; S220-T235 WeakPolarHBondContact OG-CB 3.41Å; S220-T235 PolarHBondContact OG-OG1 3.36Å
221K86.4Confident93.5Very high216 Ų21673.6 Ų73.694%0.93945%0.454SS*.THydrogen-bonded Turntrans-68.2128.4165.3-65.1-176-180-1800108.6
222G86.4Confident93.7Very high69 Ų6973.2 Ų73.271%0.71144%0.442SS*.THydrogen-bonded Turntrans85.728.8177.800000115.1S220S220-G222 PolarHBondContact O-N 3.08Å
223A92.6Very high93.8Very high29 Ų2970.7 Ų70.724%0.2441%0.411CS..PPolyproline II helixtrans-53.5140.9165.900000110.6Y175 Y232Y175-A223 HydrophobicContact CD1-CB 3.7Å; Y175-A223 HydrophobicContact CE1-CB 4.07Å; A223-Y232 HydrophobicContact CB-CD1 4.33Å; A223-Y232 HydrophobicContact CB-CD2 3.75Å; A223-Y232 HydrophobicContact CB-CE1 4.13Å; A223-Y232 HydrophobicContact CB-CE2 3.53Å; A223-Y232 HydrophobicContact CB-CG 4.14Å
224P94.6Very high94Very high43 Ų4365.3 Ų65.328%0.27939%0.391SS..PPolyproline II helixtrans-50.7157.4172.2-2734.3000112.2I168 Y175 Y177 A226I168-P224 HydrophobicContact CD1-CB 3.92Å; I168-P224 HydrophobicContact CG2-CG 4.13Å; Y175-P224 HydrophobicContact CD2-CG 4.16Å; Y175-P224 HydrophobicContact CE2-CG 4.31Å; Y175-P224 HydrophobicContact CG-CG 4.37Å; Y177-P224 WeakPolarHBondContact OH-CD 3.5Å; Y177-P224 PolarHBondContact OH-O 2.92Å; P224-A226 PolarHBondContact O-N 3.4Å
225A93.7Very high94.1Very high92 Ų9260 Ų6076%0.7635%0.354SS*.PPolyproline II helixtrans-56.5130.6176.400000109.9
226A90.6Very high94.2Very high42 Ų4258.1 Ų58.135%0.34735%0.346SS..PPolyproline II helixtrans-62.6135.7177.400000109.3Y177 P224Y177-A226 HydrophobicContact CD1-CB 3.59Å; Y177-A226 HydrophobicContact CE1-CB 3.73Å; P224-A226 PolarHBondContact O-N 3.4Å
227P92.1Very high94Very high36 Ų3658.2 Ų58.223%0.23434%0.344CS..PPolyproline II helixtrans-57.2154.8170.8-20.129.3000111.1Y166 G229 H230Y166-P227 HydrophobicContact CD1-CG 3.48Å; Y166-P227 VanDerWaalsContact CD1-CG 3.48Å; Y166-P227 HydrophobicContact CE1-CG 3.65Å; Y166-P227 HydrophobicContact CG-CG 3.99Å; P227-G229 PolarHBondContact O-N 3.21Å; P227-H230 VanDerWaalsContact O-CB 3.28Å; P227-H230 WeakPolarHBondContact O-CB 3.45Å; P227-H230 PolarHBondContact O-N 3.29Å; P227-H230 PolarHBondContact O-ND1 2.92Å
228D92.3Very high93.8Very high161 Ų16159.9 Ų59.986%0.86136%0.356SS*.THydrogen-bonded Turntrans-51.6133.5-178.9-92.41.5000112.5H230D228-H230 PolarHBondContact O-CE1 3.29Å; D228-H230 PolarHBondContact O-N 3.35Å; D228-H230 PolarHBondContact O-ND1 3.23Å
229G93.6Very high93.7Very high39 Ų3961.2 Ų61.240%0.40236%0.364SS..THydrogen-bonded Turntrans73.76.9-178.100000115.3K180 P227K180-G229 WeakPolarHBondContact CB-O 3.47Å; K180-G229 VanDerWaalsContact CG-O 3.31Å; K180-G229 WeakPolarHBondContact CG-O 3.43Å; K180-G229 PolarHBondContact N-O 2.81Å; P227-G229 PolarHBondContact O-N 3.21Å
230H96.7Very high93.8Very high31 Ų3156.9 Ų56.914%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-105.5162.7176.8-60.171.8000112.6R178 K179 P227 D228R178-H230 CarbonylContact O-C 3.45Å; R178-H230 WeakPolarHBondContact O-CA 3.32Å; K179-H230 PolarHBondContact N-CD2 3.05Å; P227-H230 VanDerWaalsContact O-CB 3.28Å; P227-H230 WeakPolarHBondContact O-CB 3.45Å; P227-H230 PolarHBondContact O-N 3.29Å; P227-H230 PolarHBondContact O-ND1 2.92Å; D228-H230 PolarHBondContact O-CE1 3.29Å; D228-H230 PolarHBondContact O-N 3.35Å; D228-H230 PolarHBondContact O-ND1 3.23Å
231L96.5Very high94Very high67 Ų6759.2 Ų59.235%0.35136%0.356SS..EExtended strand (participates in β ladder)trans-126.3132.6174.4-71.1172.2000108.2Y177 R178 K180Y177-L231 CarbonylContact C-O 3.44Å; Y177-L231 WeakPolarHBondContact CA-O 3.39Å; R178-L231 PolarHBondContact N-O 2.88Å; R178-L231 PolarHBondContact O-N 3.48Å; K180-L231 HydrophobicContact CD-CG 4.22Å; K180-L231 VanDerWaalsContact CE-CG 3.47Å; K180-L231 HydrophobicContact CG-CD1 3.78Å; K180-L231 HydrophobicContact CG-CD2 4.48Å; K180-L231 HydrophobicContact CG-CG 3.68Å
232Y97.4Very high94.5Very high63 Ų6349.4 Ų49.425%0.24732%0.319CS..EExtended strand (participates in β ladder)trans-65.5134.2170.9176.6-114.1000110.1Y175 Y177 S220 A223 G234 T235Y175-Y232 HydrophobicContact CD1-CE2 4.15Å; Y177-Y232 HydrophobicContact CD1-CD2 4.17Å; Y177-Y232 AromaticContact CE1-CD2 3.71Å; Y177-Y232 HydrophobicContact CE1-CD2 3.71Å; Y177-Y232 HydrophobicContact CE1-CG 4.19Å; Y177-Y232 AromaticContact CZ-CD2 3.97Å; S220-Y232 PolarHBondContact N-OH 3.1Å; A223-Y232 HydrophobicContact CB-CD1 4.33Å; A223-Y232 HydrophobicContact CB-CD2 3.75Å; A223-Y232 HydrophobicContact CB-CE1 4.13Å; A223-Y232 HydrophobicContact CB-CE2 3.53Å; A223-Y232 HydrophobicContact CB-CG 4.14Å; Y232-G234 WeakPolarHBondContact CE2-O 3.45Å; Y232-G234 VanDerWaalsContact CZ-C 3.46Å; Y232-G234 WeakPolarHBondContact OH-CA 3.29Å; Y232-T235 PolarHBondContact OH-N 3.29Å; Y232-T235 PolarHBondContact OH-OG1 2.8Å
233I97.7Very high95Very high21 Ų2148.1 Ų48.111%0.10829%0.293CS..EExtended strand (participates in β ladder)trans-111-41.8-178.8-57-59000110.7L76 V176 R178 V197 F217L76-I233 HydrophobicContact CD1-CG2 4.13Å; L76-I233 HydrophobicContact CD2-CG2 3.98Å; V176-I233 PolarHBondContact O-N 3.41Å; R178-I233 HydrophobicContact CB-CD1 3.68Å; R178-I233 HydrophobicContact CB-CG1 3.65Å; V197-I233 HydrophobicContact CG1-CG1 4.46Å; V197-I233 HydrophobicContact CG1-CG2 4.36Å; F217-I233 HydrophobicContact CZ-CG2 4.13Å
234G97.9Very high95.2Very high0 Ų049.4 Ų49.40%030%0.297CS..EExtended strand (participates in β ladder)trans167.4-171.6178.500000111.1V176 F217 Y232V176-G234 PolarHBondContact N-O 3.07Å; V176-G234 PolarHBondContact O-N 3.01Å; F217-G234 VanDerWaalsContact CZ-CA 3.47Å; Y232-G234 WeakPolarHBondContact CE2-O 3.45Å; Y232-G234 VanDerWaalsContact CZ-C 3.46Å; Y232-G234 WeakPolarHBondContact OH-CA 3.29Å
235T98.2Very high95.2Very high0 Ų049.9 Ų49.90%030%0.298CS..EExtended strand (participates in β ladder)trans-130.5130.6-177.3-60.40000109.5A173 V174 Y175 F217 V218 S220 Y232A173-T235 HydrophobicContact CB-CG2 3.78Å; V174-T235 WeakPolarHBondContact O-CA 3.47Å; Y175-T235 HydrophobicContact CD1-CG2 3.98Å; Y175-T235 WeakPolarHBondContact CD1-OG1 3.5Å; Y175-T235 HydrophobicContact CE1-CG2 4Å; Y175-T235 WeakPolarHBondContact CE1-OG1 3.37Å; Y175-T235 HydrophobicContact CG-CG2 4.32Å; F217-T235 WeakPolarHBondContact CA-O 3.41Å; V218-T235 PolarHBondContact N-O 3.44Å; V218-T235 PolarHBondContact O-N 3.03Å; S220-T235 WeakPolarHBondContact CB-OG1 3.44Å; S220-T235 VanDerWaalsContact OG-CB 3.29Å; S220-T235 WeakPolarHBondContact OG-CB 3.41Å; S220-T235 PolarHBondContact OG-OG1 3.36Å; Y232-T235 PolarHBondContact OH-N 3.29Å; Y232-T235 PolarHBondContact OH-OG1 2.8Å
236V98.1Very high95.3Very high0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-88.5129.4167.3-179.90000108.4A173 V174 V176 L201 L204 F215 E216 F217A173-V236 CarbonylContact C-O 3.51Å; A173-V236 WeakPolarHBondContact CA-O 3.34Å; V174-V236 HydrophobicContact CB-CB 4.34Å; V174-V236 PolarHBondContact N-O 3.13Å; V174-V236 PolarHBondContact O-N 3.46Å; V176-V236 HydrophobicContact CG2-CG2 4.16Å; L201-V236 HydrophobicContact CD2-CG2 3.63Å; L204-V236 HydrophobicContact CD1-CG2 3.99Å; F215-V236 HydrophobicContact CD2-CG1 3.66Å; F215-V236 HydrophobicContact CE2-CB 4.18Å; F215-V236 HydrophobicContact CE2-CG1 3.47Å; F215-V236 VanDerWaalsContact CE2-CG1 3.47Å; F215-V236 HydrophobicContact CE2-CG2 3.6Å; F215-V236 HydrophobicContact CZ-CG2 4.07Å; E216-V236 VanDerWaalsContact O-CA 3.31Å; E216-V236 WeakPolarHBondContact O-CA 3.36Å; F217-V236 HydrophobicContact CD2-CG2 3.98Å
237K92.9Very high95.8Very high97 Ų9746.8 Ų46.842%0.42225%0.252SS..  trans-98.20175.6-70.7-179.6177.1171.70112.7R149 R213 E216 V218R149-K237 PolarHBondContact NH1-O 3.24Å; R213-K237 PolarHBondContact NH2-OXT 3.3Å; E216-K237 HydrophobicContact CB-CB 4.49Å; E216-K237 PolarHBondContact O-N 3.36Å; V218-K237 HydrophobicContact CG2-CD 4.03Å; V218-K237 HydrophobicContact CG2-CG 4.34Å

Retrieved 237 of 237 residues in 154.8 ms (Link to these results)

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