A0A096ME36_POEFO Loading...

Eukaryotic translation initiation factor 3 subunit F

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Deubiquitinates activated NOTCH1, promoting its nuclear import, thereby acting as a positive regulator of Notch signaling.

AlphaFold DB , UniProt , Accession A0A096ME36, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3F, Length 273 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
1M29.2Very low65.8Low239 Ų23971 Ų71100%1.17739%0.393SS*.  0970-141.8179.5-72.400105.9V3M1-V3 PolarHBondContact O-N 2.96Å
2S29.1Very low67.7Low92 Ų9266.8 Ų66.864%0.64337%0.371SS*.  trans-66.9106.5-175.852.50000108.4F4S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 WeakPolarHBondContact OG-CD2 3.39Å; S2-F4 VanDerWaalsContact OG-CE2 3.25Å; S2-F4 WeakPolarHBondContact OG-CE2 3.33Å
3V37.8Very low69.4Low141 Ų14167.2 Ų67.286%0.85538%0.376SS*.  trans-6788.6169.9-173.70000105.7M1 G5M1-V3 PolarHBondContact O-N 2.96Å; V3-G5 PolarHBondContact O-N 3.08Å
4F47.5Very low70.9Confident155 Ų15562.4 Ų62.468%0.6835%0.349SS*.  trans-64.893.7167.3-83.3-85.4000105.7S2 H43S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 WeakPolarHBondContact OG-CD2 3.39Å; S2-F4 VanDerWaalsContact OG-CE2 3.25Å; S2-F4 WeakPolarHBondContact OG-CE2 3.33Å; F4-H43 PolarHBondContact O-CE1 3.45Å; F4-H43 VanDerWaalsContact O-CE1 3.25Å
5G60.1Low72.1Confident27 Ų2760.3 Ų60.328%0.27834%0.337SS..PPolyproline II helixtrans-60.2157.3167.500000109.9V3 V7V3-G5 PolarHBondContact O-N 3.08Å; G5-V7 PolarHBondContact O-N 3.34Å
6P73.3Confident73.1Confident39 Ų3960.4 Ų60.425%0.25335%0.348SS..PPolyproline II helixtrans-56.9137.6178.623.8-32.6000110.7H43 I45 L151P6-H43 WeakPolarHBondContact CA-O 3.27Å; P6-I45 HydrophobicContact CB-CD1 3.78Å; P6-I45 HydrophobicContact CB-CG1 4.09Å; P6-I45 HydrophobicContact CG-CD1 3.81Å; P6-L151 HydrophobicContact CG-CD1 4.28Å
7V85.2Confident74.1Confident33 Ų3358.9 Ų58.920%0.234%0.342CS..EExtended strand (participates in β ladder)trans-79126.7176.9177.80000108.7G5 H43 S44 I45 K154G5-V7 PolarHBondContact O-N 3.34Å; V7-H43 PolarHBondContact N-O 3.32Å; V7-H43 VanDerWaalsContact N-O 3.14Å; V7-S44 WeakPolarHBondContact O-CA 3.26Å; V7-I45 PolarHBondContact O-N 3.46Å; V7-K154 HydrophobicContact CG1-CB 4.45Å; V7-K154 HydrophobicContact CG1-CD 3.84Å; V7-K154 HydrophobicContact CG1-CG 3.97Å
8V87.8Confident75Confident0 Ų055.7 Ų55.70%032%0.323CS..EExtended strand (participates in β ladder)trans-90.5120.6177.9-173.70000108.9I10 V47 I114 A131 L151 S152 V153 K154V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 3.95Å; V8-V47 HydrophobicContact CG1-CG2 3.96Å; V8-I114 HydrophobicContact CG2-CD1 4.02Å; V8-A131 HydrophobicContact CB-CB 4.26Å; V8-A131 HydrophobicContact CG1-CB 4.47Å; V8-A131 HydrophobicContact CG2-CB 3.9Å; V8-L151 HydrophobicContact CG2-CB 4.17Å; V8-L151 HydrophobicContact CG2-CD1 3.78Å; V8-S152 PolarHBondContact N-O 3.36Å; V8-S152 VanDerWaalsContact N-O 3.1Å; V8-V153 CarbonylContact O-C 3.39Å; V8-V153 WeakPolarHBondContact O-CA 3.35Å; V8-K154 PolarHBondContact O-N 3.44Å
9K91.4Very high75.6Confident54 Ų5455.6 Ų55.624%0.23533%0.325CS..EExtended strand (participates in β ladder)trans-104117178.1-64.8161.2161.4-179.70107.7S44 I45 E46 V47 K154 I156K9-S44 PolarHBondContact NZ-OG 3.24Å; K9-I45 PolarHBondContact N-O 2.87Å; K9-E46 HydrophobicContact CB-CB 4.47Å; K9-E46 HydrophobicContact CB-CG 4.4Å; K9-E46 WeakPolarHBondContact O-CA 3.42Å; K9-V47 PolarHBondContact O-N 3.34Å; K9-K154 CarbonylContact C-O 3.57Å; K9-K154 VanDerWaalsContact CA-O 3.27Å; K9-K154 WeakPolarHBondContact CA-O 3.5Å; K9-I156 HydrophobicContact CB-CD1 3.63Å; K9-I156 HydrophobicContact CB-CG1 3.9Å; K9-I156 HydrophobicContact CD-CD1 3.33Å; K9-I156 HydrophobicContact CD-CG1 4.42Å; K9-I156 HydrophobicContact CG-CD1 3.4Å; K9-I156 VanDerWaalsContact CG-CD1 3.4Å; K9-I156 HydrophobicContact CG-CG1 4Å
10I90.9Very high76.3Confident0 Ų056.1 Ų56.10%033%0.326CS..EExtended strand (participates in β ladder)trans-112.6131.7-176.7-57.2177000109.3V8 V14 L15 L116 I129 V153 K154 Y155 I156V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 3.95Å; I10-V14 HydrophobicContact CG2-CB 4.08Å; I10-V14 HydrophobicContact CG2-CG1 4.32Å; I10-L15 HydrophobicContact CG2-CD2 4.06Å; I10-L15 HydrophobicContact CG2-CG 4.26Å; I10-L116 HydrophobicContact CD1-CD1 3.58Å; I10-L116 HydrophobicContact CG1-CD1 4.41Å; I10-I129 HydrophobicContact CD1-CG2 4.11Å; I10-V153 HydrophobicContact CD1-CG1 3.35Å; I10-V153 HydrophobicContact CD1-CG2 4.43Å; I10-V153 HydrophobicContact CG1-CG1 3.98Å; I10-K154 PolarHBondContact N-O 3.45Å; I10-Y155 HydrophobicContact CB-CD1 4.29Å; I10-Y155 WeakPolarHBondContact O-CA 3.48Å; I10-I156 PolarHBondContact O-N 3.13Å
11H91.1Very high76.7Confident1 Ų154.2 Ų54.21%0.00532%0.317CS..  trans-84.6140.9170-72-86.5000111.5V13 V14 E46 V47 Y158 E161H11-V13 HydrophobicContact CB-CG1 3.88Å; H11-V13 PolarHBondContact O-N 3.23Å; H11-V13 VanDerWaalsContact O-N 3.16Å; H11-V14 WeakPolarHBondContact O-CB 3.29Å; H11-V14 PolarHBondContact O-N 2.85Å; H11-E46 IonicContact CD2-OE1 3.9Å; H11-E46 IonicContact CE1-OE1 3.86Å; H11-E46 IonicContact NE2-OE1 3.99Å; H11-E46 PolarHBondContact NE2-OE1 3.29Å; H11-V47 PolarHBondContact CD2-O 2.95Å; H11-V47 VanDerWaalsContact CD2-O 3.29Å; H11-V47 PolarHBondContact N-O 2.93Å; H11-Y158 AromaticContact CE1-CD2 3.67Å; H11-Y158 AromaticContact CE1-CE2 3.21Å; H11-Y158 WeakPolarHBondContact CE1-CE2 3.41Å; H11-Y158 AromaticContact CE1-CZ 3.55Å; H11-Y158 AromaticContact ND1-CD2 3.82Å; H11-Y158 AromaticContact ND1-CE2 3.68Å; H11-Y158 AromaticContact NE2-CE2 3.88Å; H11-E161 IonicContact ND1-OE2 2.74Å; H11-E161 PolarHBondContact ND1-OE2 2.93Å
12P88.7Confident79.4Confident20 Ų2045.4 Ų45.413%0.1327%0.271CS..Hα-helixtrans-53.2-31.7177.4-2628.8000115.2V14 L15 A16 I156 Y157 E161 V165P12-V14 PolarHBondContact O-N 3.36Å; P12-L15 WeakPolarHBondContact O-CB 3.31Å; P12-L15 PolarHBondContact O-N 3.34Å; P12-A16 PolarHBondContact O-N 3.37Å; P12-I156 VanDerWaalsContact CD-O 3.23Å; P12-I156 WeakPolarHBondContact CD-O 3.27Å; P12-Y157 HydrophobicContact CG-CD1 3.3Å; P12-Y157 HydrophobicContact CG-CE1 3.25Å; P12-Y157 HydrophobicContact CG-CG 4.45Å; P12-E161 VanDerWaalsContact CB-OE1 3.29Å; P12-E161 WeakPolarHBondContact CB-OE1 3.31Å; P12-E161 WeakPolarHBondContact CD-OE1 3.44Å; P12-E161 HydrophobicContact CG-CG 4.38Å; P12-E161 WeakPolarHBondContact CG-OE1 3.5Å; P12-V165 HydrophobicContact CB-CG2 4.04Å; P12-V165 HydrophobicContact CG-CG2 4.23Å
13V90.5Very high82.1Confident72 Ų7248.7 Ų48.744%0.43628%0.276SS..Hα-helixtrans-53.8-37.9174.467.30000112.7H11 L15 A16 S17 T48 E161H11-V13 HydrophobicContact CB-CG1 3.88Å; H11-V13 PolarHBondContact O-N 3.23Å; H11-V13 VanDerWaalsContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 2.89Å; V13-A16 PolarHBondContact O-N 3.29Å; V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.37Å; V13-T48 WeakPolarHBondContact CG1-O 3.43Å; V13-E161 PolarHBondContact N-OE1 3.44Å
14V90.2Very high84.3Confident0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-64.1-43.7177.4178.50000109.8I10 H11 P12 S17 I18 V47 C50I10-V14 HydrophobicContact CG2-CB 4.08Å; I10-V14 HydrophobicContact CG2-CG1 4.32Å; H11-V14 WeakPolarHBondContact O-CB 3.29Å; H11-V14 PolarHBondContact O-N 2.85Å; P12-V14 PolarHBondContact O-N 3.36Å; V14-S17 PolarHBondContact O-N 2.99Å; V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.37Å; V14-V47 HydrophobicContact CG1-CG1 4.12Å; V14-V47 HydrophobicContact CG2-CG1 3.93Å; V14-V47 WeakPolarHBondContact CG2-O 3.5Å; V14-C50 HydrophobicContact CG1-CB 4.08Å; V14-C50 PolarHBondContact O-SG 3.38Å
15L88.5Confident85.9Confident32 Ų3248.6 Ų48.617%0.16826%0.256CS..Hα-helixtrans-66.5-42178.7-56.8-172.9000112I10 P12 V13 S17 I18 C19 I129 Y155I10-L15 HydrophobicContact CG2-CD2 4.06Å; I10-L15 HydrophobicContact CG2-CG 4.26Å; P12-L15 WeakPolarHBondContact O-CB 3.31Å; P12-L15 PolarHBondContact O-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 2.89Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 2.99Å; L15-C19 WeakPolarHBondContact O-CB 3.47Å; L15-C19 PolarHBondContact O-N 3.07Å; L15-C19 PolarHBondContact O-SG 3.12Å; L15-I129 HydrophobicContact CD1-CD1 3.77Å; L15-I129 HydrophobicContact CD2-CD1 3.34Å; L15-I129 HydrophobicContact CG-CD1 4.18Å; L15-Y155 HydrophobicContact CD1-CD1 4.32Å; L15-Y155 HydrophobicContact CD1-CE1 3.74Å
16A88.3Confident86.5Confident62 Ų6253.7 Ų53.751%0.51228%0.277SS..Hα-helixtrans-61.5-42.5176.400000111.2P12 V13 C19 D20P12-A16 PolarHBondContact O-N 3.37Å; V13-A16 PolarHBondContact O-N 3.29Å; A16-C19 PolarHBondContact O-N 2.94Å; A16-D20 WeakPolarHBondContact O-CB 3.41Å; A16-D20 PolarHBondContact O-N 2.98Å
17S90.4Very high86.2Confident35 Ų3561.7 Ų61.725%0.24531%0.311CS..Hα-helixtrans-66.3-41177.1-176.80000112.4V13 V14 L15 D20 S21 C50V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.37Å; V14-S17 PolarHBondContact O-N 2.99Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.38Å; S17-D20 PolarHBondContact O-N 2.97Å; S17-S21 VanDerWaalsContact O-CB 3.29Å; S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.3Å; S17-C50 VanDerWaalsContact CB-SG 3.54Å; S17-C50 PolarHBondContact OG-O 3.49Å
18I89.3Confident85.2Confident1 Ų164.1 Ų64.11%0.00534%0.342CS..Hα-helixtrans-63.6-43.2174-65.8168.1000110.8V14 L15 S21 Y22 Y89 T91 L116 V118V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 2.99Å; I18-S21 PolarHBondContact O-N 2.98Å; I18-Y22 WeakPolarHBondContact O-CB 3.4Å; I18-Y22 PolarHBondContact O-N 3.4Å; I18-Y89 HydrophobicContact CB-CE2 4.32Å; I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.02Å; I18-Y89 HydrophobicContact CD1-CE2 4.44Å; I18-Y89 HydrophobicContact CD1-CG 3.92Å; I18-Y89 HydrophobicContact CG1-CD1 4.17Å; I18-Y89 HydrophobicContact CG1-CD2 3.84Å; I18-Y89 HydrophobicContact CG1-CE1 4.05Å; I18-Y89 HydrophobicContact CG1-CE2 3.75Å; I18-Y89 HydrophobicContact CG1-CG 4.05Å; I18-Y89 HydrophobicContact CG2-CD2 4.08Å; I18-Y89 HydrophobicContact CG2-CE2 3.95Å; I18-T91 HydrophobicContact CG2-CG2 4.04Å; I18-L116 HydrophobicContact CD1-CD2 4.27Å; I18-V118 HydrophobicContact CD1-CG2 3.96Å; I18-V118 HydrophobicContact CG2-CB 4.24Å; I18-V118 HydrophobicContact CG2-CG1 4.32Å; I18-V118 HydrophobicContact CG2-CG2 4.04Å
19C87.3Confident84.3Confident53 Ų5365.7 Ų65.736%0.35836%0.355SS..Hα-helixtrans-63.6-45.6176.9-74.80000112.4L15 A16 S21 Y22 E23L15-C19 WeakPolarHBondContact O-CB 3.47Å; L15-C19 PolarHBondContact O-N 3.07Å; L15-C19 PolarHBondContact O-SG 3.12Å; A16-C19 PolarHBondContact O-N 2.94Å; C19-S21 VanDerWaalsContact C-N 3.33Å; C19-Y22 WeakPolarHBondContact O-CB 3.33Å; C19-Y22 PolarHBondContact O-N 3.42Å; C19-E23 PolarHBondContact O-N 3.19Å
20D88.9Confident83.4Confident65 Ų6566.8 Ų66.835%0.34837%0.37SS..Hα-helixtrans-63-41.5176.5-177.967.1000110.9A16 S17 Y22 E23 R24A16-D20 WeakPolarHBondContact O-CB 3.41Å; A16-D20 PolarHBondContact O-N 2.98Å; S17-D20 PolarHBondContact O-N 2.97Å; D20-Y22 VanDerWaalsContact C-N 3.3Å; D20-Y22 PolarHBondContact O-N 2.83Å; D20-E23 PolarHBondContact O-N 3.01Å; D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.35Å; D20-R24 IonicContact OD1-CZ 3.5Å; D20-R24 VanDerWaalsContact OD1-CZ 3.31Å; D20-R24 IonicContact OD1-NE 3.15Å; D20-R24 PolarHBondContact OD1-NE 2.74Å; D20-R24 IonicContact OD1-NH2 3.13Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.56Å; D20-R24 IonicContact OD2-NE 2.92Å; D20-R24 PolarHBondContact OD2-NE 2.86Å; D20-R24 VanDerWaalsContact OD2-NE 3.15Å; D20-R24 IonicContact OD2-NH1 2.89Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 2.91Å; D20-R24 VanDerWaalsContact OD2-NH2 3.13Å
21S86.3Confident82.8Confident18 Ų1867.7 Ų67.713%0.12637%0.373CS..Hα-helixtrans-63.5-36175-57.70000112.3S17 I18 C19S17-S21 VanDerWaalsContact O-CB 3.29Å; S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.98Å; C19-S21 VanDerWaalsContact C-N 3.33Å
22Y85.6Confident82.5Confident54 Ų5468.3 Ų68.321%0.21238%0.377CS..Hα-helixtrans-69.7-36.5175.4-174.4-102.1000112.6I18 C19 D20 R25 V32 T91 T120I18-Y22 WeakPolarHBondContact O-CB 3.4Å; I18-Y22 PolarHBondContact O-N 3.4Å; C19-Y22 WeakPolarHBondContact O-CB 3.33Å; C19-Y22 PolarHBondContact O-N 3.42Å; D20-Y22 VanDerWaalsContact C-N 3.3Å; D20-Y22 PolarHBondContact O-N 2.83Å; Y22-R25 VanDerWaalsContact O-CD 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.3Å; Y22-R25 WeakPolarHBondContact O-CG 3.36Å; Y22-R25 PolarHBondContact OH-NH1 3.46Å; Y22-V32 HydrophobicContact CD2-CG2 4.27Å; Y22-T91 HydrophobicContact CD2-CG2 3.84Å; Y22-T91 HydrophobicContact CG-CG2 4.5Å; Y22-T120 HydrophobicContact CD1-CG2 3.93Å; Y22-T120 HydrophobicContact CD2-CG2 3.98Å; Y22-T120 HydrophobicContact CE1-CG2 4.07Å; Y22-T120 HydrophobicContact CE2-CG2 4.1Å; Y22-T120 VanDerWaalsContact CE2-OG1 3.29Å; Y22-T120 WeakPolarHBondContact CE2-OG1 3.49Å; Y22-T120 HydrophobicContact CG-CG2 3.88Å; Y22-T120 PolarHBondContact OH-OG1 3.41Å
23E85Confident82.5Confident161 Ų16167.4 Ų67.475%0.75237%0.371SS*.Hα-helixtrans-71.4-37178.2-169.3170.3-179.700112C19 D20 R25C19-E23 PolarHBondContact O-N 3.19Å; D20-E23 PolarHBondContact O-N 3.01Å; E23-R25 PolarHBondContact O-N 3.35Å
24R84.8Confident82.5Confident182 Ų18264 Ų6469%0.68735%0.35SS*.THydrogen-bonded Turntrans-84.220.3-179.4-62.9-177.9-167.8-1678.8115D20D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.35Å; D20-R24 IonicContact OD1-CZ 3.5Å; D20-R24 VanDerWaalsContact OD1-CZ 3.31Å; D20-R24 IonicContact OD1-NE 3.15Å; D20-R24 PolarHBondContact OD1-NE 2.74Å; D20-R24 IonicContact OD1-NH2 3.13Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.56Å; D20-R24 IonicContact OD2-NE 2.92Å; D20-R24 PolarHBondContact OD2-NE 2.86Å; D20-R24 VanDerWaalsContact OD2-NE 3.15Å; D20-R24 IonicContact OD2-NH1 2.89Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 2.91Å; D20-R24 VanDerWaalsContact OD2-NH2 3.13Å
25R80.6Confident82.5Confident112 Ų11264 Ų6442%0.42335%0.35SS..PPolyproline II helixtrans-65.2150.8-177.964.8-171.9-176.7172.1-6.8112.7Y22 E23 A29 V32Y22-R25 VanDerWaalsContact O-CD 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.3Å; Y22-R25 WeakPolarHBondContact O-CG 3.36Å; Y22-R25 PolarHBondContact OH-NH1 3.46Å; E23-R25 PolarHBondContact O-N 3.35Å; R25-A29 WeakPolarHBondContact CD-O 3.36Å; R25-A29 PolarHBondContact NH1-O 3.21Å; R25-V32 HydrophobicContact CB-CG2 4.47Å
26N72.8Confident82.7Confident134 Ų13462.5 Ų62.572%0.71734%0.342SS*.PPolyproline II helixtrans-64.9145.5169.2-69.3-12.8000110.3G28 A29N26-G28 PolarHBondContact O-N 2.88Å; N26-G28 VanDerWaalsContact O-N 3.13Å; N26-A29 PolarHBondContact O-N 3.23Å; N26-A29 VanDerWaalsContact O-N 3.12Å
27E66.4Low82.9Confident207 Ų20759.5 Ų59.597%0.96732%0.318SS*.THydrogen-bonded Turntrans-57.2118177-68.2-173.6155.900110.3
28G64.9Low82.9Confident84 Ų8457.9 Ų57.987%0.86631%0.306SS*.THydrogen-bonded Turntrans105.5-17.4-179.900000115.5N26 S30N26-G28 PolarHBondContact O-N 2.88Å; N26-G28 VanDerWaalsContact O-N 3.13Å; G28-S30 PolarHBondContact O-N 3.43Å
29A69.3Low82.9Confident33 Ų3360.2 Ų60.227%0.27332%0.321SS..  trans-79.2116.517600000110.6R25 N26R25-A29 WeakPolarHBondContact CD-O 3.36Å; R25-A29 PolarHBondContact NH1-O 3.21Å; N26-A29 PolarHBondContact O-N 3.23Å; N26-A29 VanDerWaalsContact O-N 3.12Å
30S71.9Confident82.8Confident76 Ų7662.3 Ų62.353%0.53133%0.327SS..  trans-83-21.8176.1670000112.5G28G28-S30 PolarHBondContact O-N 3.43Å
31R77.9Confident82.5Confident20 Ų2063.7 Ų63.78%0.07534%0.335CS..  trans-121.8153.2-172.8-60.7174.675-175.59.3111.5H55 E57 T91 T96 S99R31-H55 PolarHBondContact O-CE1 2.99Å; R31-H55 PolarHBondContact O-NE2 3.46Å; R31-E57 WeakPolarHBondContact CD-OE1 3.36Å; R31-E57 IonicContact CZ-OE1 2.95Å; R31-E57 IonicContact NH1-OE1 3.9Å; R31-E57 PolarHBondContact NH1-OE1 3.34Å; R31-T91 WeakPolarHBondContact CA-OG1 3.04Å; R31-T96 VanDerWaalsContact CZ-OG1 3.28Å; R31-T96 PolarHBondContact NH1-OG1 3.07Å; R31-T96 PolarHBondContact NH2-OG1 2.95Å; R31-S99 PolarHBondContact NH2-OG 2.97Å
32V85.9Confident82Confident13 Ų1372.6 Ų72.68%0.07937%0.371CS..  trans-130.1129.1172.9178.50000107.3Y22 R25 Y89 A90 T91Y22-V32 HydrophobicContact CD2-CG2 4.27Å; R25-V32 HydrophobicContact CB-CG2 4.47Å; V32-Y89 HydrophobicContact CG1-CE2 4.27Å; V32-A90 WeakPolarHBondContact O-CA 3.42Å; V32-T91 HydrophobicContact CB-CG2 4.13Å; V32-T91 PolarHBondContact N-OG1 3.42Å; V32-T91 PolarHBondContact O-N 3.5Å
33I88.2Confident81.8Confident1 Ų175 Ų751%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-109.8140.7176.4-63.2167.3000107.4V53 H55 V62 W88 Y89 I102I33-V53 PolarHBondContact O-N 2.99Å; I33-V53 VanDerWaalsContact O-O 3.12Å; I33-H55 HydrophobicContact CD1-CB 3.98Å; I33-V62 HydrophobicContact CD1-CG1 4.17Å; I33-W88 HydrophobicContact CG1-CZ3 4.47Å; I33-W88 HydrophobicContact CG2-CE3 3.98Å; I33-W88 HydrophobicContact CG2-CZ3 4.31Å; I33-Y89 WeakPolarHBondContact CA-O 3.43Å; I33-I102 HydrophobicContact CD1-CD1 3.43Å; I33-I102 VanDerWaalsContact CD1-CD1 3.43Å; I33-I102 HydrophobicContact CD1-CG1 4.4Å; I33-I102 HydrophobicContact CG1-CD1 4.39Å
34G90.1Very high81.7Confident0 Ų068 Ų680%035%0.353CS..EExtended strand (participates in β ladder)trans-155.1167.3171.600000112.8F51 W88 Y89G34-F51 CarbonylContact C-O 3.54Å; G34-F51 WeakPolarHBondContact CA-O 3.44Å; G34-W88 CarbonylContact O-C 3.58Å; G34-W88 WeakPolarHBondContact O-CA 3.4Å; G34-W88 VanDerWaalsContact O-CB 3.31Å; G34-W88 WeakPolarHBondContact O-CB 3.47Å; G34-Y89 PolarHBondContact N-O 3Å; G34-Y89 WeakPolarHBondContact O-CD1 3.5Å; G34-Y89 PolarHBondContact O-N 3.32Å
35T91.1Very high81.9Confident1 Ų160 Ų601%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-93.4136.5178.4-51.90000108.7C50 F51 I85 G87 Y106T35-C50 WeakPolarHBondContact O-CA 3.41Å; T35-F51 VanDerWaalsContact CB-CZ 3.46Å; T35-F51 HydrophobicContact CG2-CE1 4.12Å; T35-F51 HydrophobicContact CG2-CZ 3.99Å; T35-F51 PolarHBondContact N-O 3.31Å; T35-F51 PolarHBondContact O-N 3.39Å; T35-F51 VanDerWaalsContact O-N 3.07Å; T35-I85 HydrophobicContact CG2-CG1 4.28Å; T35-I85 HydrophobicContact CG2-CG2 3.7Å; T35-G87 WeakPolarHBondContact CG2-O 3.31Å; T35-Y106 HydrophobicContact CG2-CE1 4.01Å; T35-Y106 PolarHBondContact OG1-OH 3.05Å
36I92.4Very high82.3Confident0 Ų056.7 Ų56.70%031%0.313CS..EExtended strand (participates in β ladder)trans-98.9135.717155.2170.2000110.3V47 C50 I86 G87 Y89 I114I36-V47 HydrophobicContact CB-CG1 3.87Å; I36-V47 HydrophobicContact CD1-CG1 4.48Å; I36-V47 HydrophobicContact CD1-CG2 4.31Å; I36-V47 HydrophobicContact CG2-CG1 4.18Å; I36-C50 HydrophobicContact CG2-CB 4.04Å; I36-I86 HydrophobicContact CD1-CB 4.48Å; I36-I86 HydrophobicContact CD1-CG2 4.14Å; I36-I86 HydrophobicContact CG1-CB 4.38Å; I36-I86 PolarHBondContact O-N 3.4Å; I36-I86 VanDerWaalsContact O-N 3.12Å; I36-G87 WeakPolarHBondContact CG1-O 3.36Å; I36-G87 PolarHBondContact N-O 3.29Å; I36-Y89 HydrophobicContact CG2-CD1 3.72Å; I36-Y89 HydrophobicContact CG2-CG 4.37Å; I36-I114 HydrophobicContact CD1-CB 4.35Å; I36-I114 HydrophobicContact CD1-CG2 4.5Å
37L91.1Very high83.2Confident0 Ų050.3 Ų50.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116.5151.1-179.2-65.2172.6000109.8T48 N49 F51 Y73 H76 E83 V84 I85L37-T48 PolarHBondContact O-N 2.71Å; L37-N49 HydrophobicContact CB-CB 4.25Å; L37-N49 PolarHBondContact N-O 2.88Å; L37-N49 PolarHBondContact O-N 3.48Å; L37-F51 HydrophobicContact CD1-CD1 3.75Å; L37-F51 HydrophobicContact CD1-CE1 3.7Å; L37-F51 HydrophobicContact CD2-CE1 4.17Å; L37-F51 HydrophobicContact CG-CD1 4.19Å; L37-F51 HydrophobicContact CG-CE1 3.91Å; L37-Y73 HydrophobicContact CD2-CD2 3.81Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å; L37-H76 HydrophobicContact CD1-CB 3.76Å; L37-E83 HydrophobicContact CB-CB 4.4Å; L37-V84 WeakPolarHBondContact CA-O 3.49Å; L37-I85 HydrophobicContact CD2-CG1 3.87Å
38G90.9Very high84.3Confident0 Ų041.8 Ų41.80%024%0.241CC..EExtended strand (participates in β ladder)trans165.7-150.517100000112.5E46 T48 V84 I86G38-E46 CarbonylContact C-O 3.41Å; G38-E46 WeakPolarHBondContact CA-O 3.39Å; G38-T48 WeakPolarHBondContact CA-OG1 3.26Å; G38-V84 PolarHBondContact N-O 3.2Å; G38-V84 VanDerWaalsContact N-O 3.08Å; G38-V84 WeakPolarHBondContact O-CG2 3.27Å; G38-V84 PolarHBondContact O-N 3.07Å; G38-I86 VanDerWaalsContact C-CD1 3.41Å; G38-I86 VanDerWaalsContact CA-CD1 3.41Å
39T88.6Confident85.6Confident50 Ų5039.9 Ų39.931%0.30721%0.211SC..EExtended strand (participates in β ladder)trans-118.3140.8-177.860.70000111.4E46T39-E46 PolarHBondContact N-O 3.15Å; T39-E46 PolarHBondContact O-N 3.42Å
40I85.4Confident86.6Confident98 Ų9838.5 Ų38.550%0.50320%0.199SC..EExtended strand (participates in β ladder)trans-103.1111.8175.9-59.2173.1000107.3I45 V84 I86I40-I45 HydrophobicContact CG1-CG2 4.46Å; I40-I45 HydrophobicContact CG2-CG1 4.37Å; I40-V84 HydrophobicContact CD1-CG2 4.32Å; I40-V84 HydrophobicContact CG1-CG2 4.34Å; I40-I86 HydrophobicContact CD1-CG1 4.38Å; I40-I86 HydrophobicContact CG1-CG1 3.96Å
41D83.1Confident87.5Confident94 Ų9435.6 Ų35.650%0.50318%0.177SC..EExtended strand (participates in β ladder)trans-97.6150.3163.7177.346.4000109.2H43 S44D41-H43 PolarHBondContact O-N 3.02Å; D41-S44 CarbonylContact C-O 3.45Å; D41-S44 VanDerWaalsContact CA-O 3.28Å; D41-S44 WeakPolarHBondContact CA-O 3.45Å; D41-S44 VanDerWaalsContact CB-O 3.26Å; D41-S44 WeakPolarHBondContact CB-O 3.5Å; D41-S44 PolarHBondContact N-O 3.02Å; D41-S44 CarbonylContact O-C 3.46Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 PolarHBondContact OD2-OG 2.94Å
42K77.1Confident88.1Confident205 Ų20537 Ų3789%0.89119%0.19SC*.THydrogen-bonded Turntrans-49.7-30.5-163.7-68.9177.8-179.7174.70115
43H79.9Confident88.1Confident103 Ų10336.6 Ų36.648%0.47719%0.188SC..THydrogen-bonded Turntrans-128.81.6178.2-158.565.4000113.7F4 P6 V7 D41F4-H43 PolarHBondContact O-CE1 3.45Å; F4-H43 VanDerWaalsContact O-CE1 3.25Å; P6-H43 WeakPolarHBondContact CA-O 3.27Å; V7-H43 PolarHBondContact N-O 3.32Å; V7-H43 VanDerWaalsContact N-O 3.14Å; D41-H43 PolarHBondContact O-N 3.02Å
44S83.8Confident87.9Confident15 Ų1539.7 Ų39.711%0.10521%0.208CC..EExtended strand (participates in β ladder)trans-141.3133.2-179.574.90000111V7 K9 D41V7-S44 WeakPolarHBondContact O-CA 3.26Å; K9-S44 PolarHBondContact NZ-OG 3.24Å; D41-S44 CarbonylContact C-O 3.45Å; D41-S44 VanDerWaalsContact CA-O 3.28Å; D41-S44 WeakPolarHBondContact CA-O 3.45Å; D41-S44 VanDerWaalsContact CB-O 3.26Å; D41-S44 WeakPolarHBondContact CB-O 3.5Å; D41-S44 PolarHBondContact N-O 3.02Å; D41-S44 CarbonylContact O-C 3.46Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 PolarHBondContact OD2-OG 2.94Å
45I87.9Confident87.5Confident15 Ų1541.7 Ų41.78%0.07722%0.217CC..EExtended strand (participates in β ladder)trans-113.3120.5-175.3-59.9172.9000106.9P6 V7 K9 I40 I86 I114P6-I45 HydrophobicContact CB-CD1 3.78Å; P6-I45 HydrophobicContact CB-CG1 4.09Å; P6-I45 HydrophobicContact CG-CD1 3.81Å; V7-I45 PolarHBondContact O-N 3.46Å; K9-I45 PolarHBondContact N-O 2.87Å; I40-I45 HydrophobicContact CG1-CG2 4.46Å; I40-I45 HydrophobicContact CG2-CG1 4.37Å; I45-I86 HydrophobicContact CG2-CB 4.47Å; I45-I86 HydrophobicContact CG2-CD1 3.66Å; I45-I86 HydrophobicContact CG2-CG1 4.17Å; I45-I86 HydrophobicContact CG2-CG2 3.49Å; I45-I86 VanDerWaalsContact CG2-CG2 3.49Å; I45-I114 HydrophobicContact CB-CD1 4.02Å; I45-I114 HydrophobicContact CD1-CD1 3.37Å; I45-I114 HydrophobicContact CD1-CG1 4.26Å; I45-I114 HydrophobicContact CG1-CD1 4.24Å; I45-I114 HydrophobicContact CG2-CD1 3.68Å
46E90.3Very high86.9Confident42 Ų4247 Ų4720%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-106.5112.8-175.7-169170.8166.500109.4K9 H11 G38 T39 T48 I86 Y158K9-E46 HydrophobicContact CB-CB 4.47Å; K9-E46 HydrophobicContact CB-CG 4.4Å; K9-E46 WeakPolarHBondContact O-CA 3.42Å; H11-E46 IonicContact CD2-OE1 3.9Å; H11-E46 IonicContact CE1-OE1 3.86Å; H11-E46 IonicContact NE2-OE1 3.99Å; H11-E46 PolarHBondContact NE2-OE1 3.29Å; G38-E46 CarbonylContact C-O 3.41Å; G38-E46 WeakPolarHBondContact CA-O 3.39Å; T39-E46 PolarHBondContact N-O 3.15Å; T39-E46 PolarHBondContact O-N 3.42Å; E46-T48 HydrophobicContact CG-CG2 4.32Å; E46-I86 WeakPolarHBondContact O-CD1 3.33Å; E46-Y158 PolarHBondContact OE1-OH 3.41Å
47V91.3Very high85.8Confident0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-95.1104-179.7-1700000107.9V8 K9 H11 V14 I36 I86V8-V47 HydrophobicContact CG1-CG2 3.96Å; K9-V47 PolarHBondContact O-N 3.34Å; H11-V47 PolarHBondContact CD2-O 2.95Å; H11-V47 VanDerWaalsContact CD2-O 3.29Å; H11-V47 PolarHBondContact N-O 2.93Å; V14-V47 HydrophobicContact CG1-CG1 4.12Å; V14-V47 HydrophobicContact CG2-CG1 3.93Å; V14-V47 WeakPolarHBondContact CG2-O 3.5Å; I36-V47 HydrophobicContact CB-CG1 3.87Å; I36-V47 HydrophobicContact CD1-CG1 4.48Å; I36-V47 HydrophobicContact CD1-CG2 4.31Å; I36-V47 HydrophobicContact CG2-CG1 4.18Å; V47-I86 HydrophobicContact CG2-CD1 4.47Å
48T89.6Confident84.9Confident28 Ų2853.4 Ų53.417%0.17228%0.283CS..EExtended strand (participates in β ladder)trans-93.7-33-177.348.40000112.2V13 L37 G38 E46 E83V13-T48 WeakPolarHBondContact CG1-O 3.43Å; L37-T48 PolarHBondContact O-N 2.71Å; G38-T48 WeakPolarHBondContact CA-OG1 3.26Å; E46-T48 HydrophobicContact CG-CG2 4.32Å; T48-E83 PolarHBondContact OG1-OE1 3.25Å
49N91.3Very high83.7Confident44 Ų4462.6 Ų62.624%0.23533%0.326CS..EExtended strand (participates in β ladder)trans-145.6160.8-170.7-152.3-12000112.1L37 H76 E83L37-N49 HydrophobicContact CB-CB 4.25Å; L37-N49 PolarHBondContact N-O 2.88Å; L37-N49 PolarHBondContact O-N 3.48Å; N49-H76 PolarHBondContact ND2-CE1 2.91Å; N49-H76 PolarHBondContact ND2-ND1 3.15Å; N49-E83 WeakPolarHBondContact CB-OE1 3.39Å
50C91.4Very high82.5Confident4 Ų466.9 Ų66.93%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-155.3152174.466.10000111.3V14 S17 T35 I36 Y89V14-C50 HydrophobicContact CG1-CB 4.08Å; V14-C50 PolarHBondContact O-SG 3.38Å; S17-C50 VanDerWaalsContact CB-SG 3.54Å; S17-C50 PolarHBondContact OG-O 3.49Å; T35-C50 WeakPolarHBondContact O-CA 3.41Å; I36-C50 HydrophobicContact CG2-CB 4.04Å; C50-Y89 HydrophobicContact CB-CD1 4.21Å; C50-Y89 HydrophobicContact CB-CE1 3.91Å
51F90.8Very high81.6Confident14 Ų1469.3 Ų69.36%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-135.4143.9173.462.5-91.4000110.4G34 T35 L37 V53 M72G34-F51 CarbonylContact C-O 3.54Å; G34-F51 WeakPolarHBondContact CA-O 3.44Å; T35-F51 VanDerWaalsContact CB-CZ 3.46Å; T35-F51 HydrophobicContact CG2-CE1 4.12Å; T35-F51 HydrophobicContact CG2-CZ 3.99Å; T35-F51 PolarHBondContact N-O 3.31Å; T35-F51 PolarHBondContact O-N 3.39Å; T35-F51 VanDerWaalsContact O-N 3.07Å; L37-F51 HydrophobicContact CD1-CD1 3.75Å; L37-F51 HydrophobicContact CD1-CE1 3.7Å; L37-F51 HydrophobicContact CD2-CE1 4.17Å; L37-F51 HydrophobicContact CG-CD1 4.19Å; L37-F51 HydrophobicContact CG-CE1 3.91Å; F51-V53 HydrophobicContact CD2-CG2 3.92Å; F51-V53 HydrophobicContact CE2-CG2 3.61Å; F51-M72 HydrophobicContact CB-CG 4.18Å; F51-M72 HydrophobicContact CD1-CG 4.16Å; F51-M72 HydrophobicContact CD2-CB 4.02Å; F51-M72 HydrophobicContact CD2-CG 3.57Å; F51-M72 HydrophobicContact CE1-CG 4.44Å; F51-M72 HydrophobicContact CE2-CB 3.82Å; F51-M72 HydrophobicContact CE2-CG 3.87Å; F51-M72 HydrophobicContact CG-CG 3.72Å; F51-M72 HydrophobicContact CZ-CB 4.18Å; F51-M72 HydrophobicContact CZ-CG 4.29Å
52S89.2Confident81.1Confident50 Ų5065.2 Ų65.235%0.3534%0.335SS..EExtended strand (participates in β ladder)trans-75.2140.9174.556.50000110.8Y89S52-Y89 WeakPolarHBondContact CA-OH 3.26Å
53V87.3Confident81Confident4 Ų458.4 Ų58.42%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-112.4128.4173.7-1770000107.8I33 F51 H55 V64 F68 A69I33-V53 PolarHBondContact O-N 2.99Å; I33-V53 VanDerWaalsContact O-O 3.12Å; F51-V53 HydrophobicContact CD2-CG2 3.92Å; F51-V53 HydrophobicContact CE2-CG2 3.61Å; V53-H55 PolarHBondContact O-N 3.38Å; V53-V64 HydrophobicContact CB-CG1 4.33Å; V53-V64 HydrophobicContact CG1-CG1 3.54Å; V53-F68 HydrophobicContact CG1-CD1 4.39Å; V53-A69 HydrophobicContact CG1-CB 4.39Å; V53-A69 HydrophobicContact CG2-CB 4.22Å
54P84.5Confident81Confident66 Ų6655.1 Ų55.143%0.42930%0.303SS..  trans-60.7131.4174.126.2-32000108.8D65 F68P54-D65 HydrophobicContact CG-CB 4.22Å; P54-D65 PolarHBondContact O-N 3.05Å; P54-F68 VanDerWaalsContact CD-CD1 3.42Å; P54-F68 HydrophobicContact CG-CB 4.44Å; P54-F68 HydrophobicContact CG-CD1 4.18Å; P54-F68 HydrophobicContact CG-CG 4.12Å
55H80.8Confident81Confident42 Ų4257.9 Ų57.919%0.19432%0.317CS..EExtended strand (participates in β ladder)trans-129.6150.7177.564.8-73.5000108.3R31 I33 V53 V62 A63 V64R31-H55 PolarHBondContact O-CE1 2.99Å; R31-H55 PolarHBondContact O-NE2 3.46Å; I33-H55 HydrophobicContact CD1-CB 3.98Å; V53-H55 PolarHBondContact O-N 3.38Å; H55-V62 HydrophobicContact CB-CG1 4.49Å; H55-A63 WeakPolarHBondContact CA-O 3.47Å; H55-V64 HydrophobicContact CB-CG2 4.46Å
56N78.1Confident80.6Confident114 Ų11460.2 Ų60.261%0.6133%0.329SS*.EExtended strand (participates in β ladder)trans-113.8114.2171.2-155.616.5000107.5V62 A63N56-V62 WeakPolarHBondContact O-CA 3.49Å; N56-A63 PolarHBondContact N-O 2.9Å; N56-A63 PolarHBondContact O-N 2.86Å
57E69.3Low80.3Confident66 Ų6665.4 Ų65.431%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-99.6112.2179.8-169.2168.7-147.300108.2R31 V62 H98R31-E57 WeakPolarHBondContact CD-OE1 3.36Å; R31-E57 IonicContact CZ-OE1 2.95Å; R31-E57 IonicContact NH1-OE1 3.9Å; R31-E57 PolarHBondContact NH1-OE1 3.34Å; E57-V62 HydrophobicContact CB-CG2 4.49Å; E57-V62 HydrophobicContact CG-CG2 4.04Å; E57-H98 IonicContact OE1-CD2 3.17Å
58S72.6Confident80.2Confident68 Ų6868.8 Ų68.848%0.47637%0.368SS..  trans-110.3164.2165.8-65.50000109D60 E61S58-D60 PolarHBondContact O-N 3.13Å; S58-E61 PolarHBondContact N-O 3.25Å; S58-E61 PolarHBondContact O-N 3.44Å
59E65.1Low80Confident192 Ų19267.9 Ų67.990%0.89736%0.363SS*.SBendtrans-54.2-25.3-171.2-69.7-173.7165.100115H98E59-H98 PolarHBondContact O-CE1 3.36Å; E59-H98 VanDerWaalsContact O-CE1 3.29Å
60D64.3Low79.8Confident141 Ų14170.7 Ų70.775%0.75437%0.373SS*.SBendtrans-128.7-10.8-178.5-124.8-3.2000113.8S58S58-D60 PolarHBondContact O-N 3.13Å
61E67.1Low79.7Confident149 Ų14975.1 Ų75.170%0.69640%0.397SS*.  trans-131.7129.1-176-70.7-171169.700111.2S58S58-E61 PolarHBondContact N-O 3.25Å; S58-E61 PolarHBondContact O-N 3.44Å
62V71.9Confident79.6Confident8 Ų876.8 Ų76.85%0.04841%0.405CS..EExtended strand (participates in β ladder)trans-112.9110.4167.9-178.60000108.9I33 H55 N56 E57 V64 H98 I102I33-V62 HydrophobicContact CD1-CG1 4.17Å; H55-V62 HydrophobicContact CB-CG1 4.49Å; N56-V62 WeakPolarHBondContact O-CA 3.49Å; E57-V62 HydrophobicContact CB-CG2 4.49Å; E57-V62 HydrophobicContact CG-CG2 4.04Å; V62-V64 HydrophobicContact CG1-CG2 4.27Å; V62-H98 HydrophobicContact CG2-CB 3.65Å; V62-I102 HydrophobicContact CG1-CD1 4.11Å; V62-I102 HydrophobicContact CG1-CG1 4.17Å
63A75.6Confident79.6Confident62 Ų6277 Ų7751%0.51240%0.399SS..EExtended strand (participates in β ladder)trans-93.9118.7174.200000109.3H55 N56H55-A63 WeakPolarHBondContact CA-O 3.47Å; N56-A63 PolarHBondContact N-O 2.9Å; N56-A63 PolarHBondContact O-N 2.86Å
64V80.1Confident79.7Confident33 Ų3381.5 Ų81.520%0.242%0.419CS..EExtended strand (participates in β ladder)trans-103.2129.9172.9-178.30000108.5V53 H55 V62 M66 I102V53-V64 HydrophobicContact CB-CG1 4.33Å; V53-V64 HydrophobicContact CG1-CG1 3.54Å; H55-V64 HydrophobicContact CB-CG2 4.46Å; V62-V64 HydrophobicContact CG1-CG2 4.27Å; V64-M66 PolarHBondContact O-N 3.03Å; V64-M66 VanDerWaalsContact O-N 3.1Å; V64-I102 HydrophobicContact CG2-CG1 4.41Å
65D83.8Confident80Confident74 Ų7482.9 Ų82.940%0.39642%0.423SS..  trans-74101.9178.1-171.5-19.1000111.3P54 E67 F68 A69P54-D65 HydrophobicContact CG-CB 4.22Å; P54-D65 PolarHBondContact O-N 3.05Å; D65-E67 PolarHBondContact OD1-N 3.17Å; D65-F68 HydrophobicContact CB-CB 3.99Å; D65-F68 PolarHBondContact OD1-N 2.83Å; D65-A69 PolarHBondContact O-N 3.23Å
66M77.9Confident80.4Confident64 Ų6482.6 Ų82.632%0.31542%0.421SS..Hα-helixtrans-74.9-30.1-179-172.158.364.300112.9V64 F68 A69 K70V64-M66 PolarHBondContact O-N 3.03Å; V64-M66 VanDerWaalsContact O-N 3.1Å; M66-F68 VanDerWaalsContact C-N 3.33Å; M66-A69 PolarHBondContact O-N 3.34Å; M66-A69 HydrophobicContact SD-CB 4.43Å; M66-K70 HydrophobicContact CG-CD 4.12Å; M66-K70 HydrophobicContact CG-CG 4.41Å; M66-K70 WeakPolarHBondContact O-CB 3.47Å; M66-K70 WeakPolarHBondContact O-CG 3.38Å; M66-K70 PolarHBondContact O-N 3.08Å; M66-K70 HydrophobicContact SD-CG 4.36Å
67E85.5Confident80.9Confident150 Ų15082.2 Ų82.270%0.70141%0.414SS*.Hα-helixtrans-67.7-41.8177.7-68.5-172.6175.800109.6D65 K70 N71D65-E67 PolarHBondContact OD1-N 3.17Å; E67-K70 PolarHBondContact O-N 3.08Å; E67-N71 WeakPolarHBondContact O-CB 3.42Å; E67-N71 PolarHBondContact O-N 3.49Å; E67-N71 PolarHBondContact O-ND2 3.46Å; E67-N71 VanDerWaalsContact O-ND2 3.13Å
68F87.8Confident81.9Confident71 Ų7187.8 Ų87.831%0.31143%0.433SS..Hα-helixtrans-59.7-47.8172.2-172.8-90.7000111.8V53 P54 D65 M66 K70 N71 M72V53-F68 HydrophobicContact CG1-CD1 4.39Å; P54-F68 VanDerWaalsContact CD-CD1 3.42Å; P54-F68 HydrophobicContact CG-CB 4.44Å; P54-F68 HydrophobicContact CG-CD1 4.18Å; P54-F68 HydrophobicContact CG-CG 4.12Å; D65-F68 HydrophobicContact CB-CB 3.99Å; D65-F68 PolarHBondContact OD1-N 2.83Å; M66-F68 VanDerWaalsContact C-N 3.33Å; F68-K70 VanDerWaalsContact C-N 3.34Å; F68-K70 PolarHBondContact O-N 3.34Å; F68-N71 PolarHBondContact O-N 2.99Å; F68-M72 HydrophobicContact CE1-CB 4.47Å; F68-M72 HydrophobicContact CE1-CE 3.89Å; F68-M72 HydrophobicContact CE2-CE 4.06Å; F68-M72 HydrophobicContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact O-CB 3.29Å; F68-M72 WeakPolarHBondContact O-CB 3.31Å; F68-M72 PolarHBondContact O-N 2.95Å
69A85.4Confident82.7Confident10 Ų1090.1 Ų90.18%0.08344%0.444CS..Hα-helixtrans-61.2-40.6179.800000112.6V53 D65 M66 Y73V53-A69 HydrophobicContact CG1-CB 4.39Å; V53-A69 HydrophobicContact CG2-CB 4.22Å; D65-A69 PolarHBondContact O-N 3.23Å; M66-A69 PolarHBondContact O-N 3.34Å; M66-A69 HydrophobicContact SD-CB 4.43Å; A69-Y73 VanDerWaalsContact O-CB 3.24Å; A69-Y73 WeakPolarHBondContact O-CB 3.32Å; A69-Y73 PolarHBondContact O-N 2.96Å
70K86.9Confident83.7Confident103 Ų10382.9 Ų82.945%0.44841%0.414SS..Hα-helixtrans-68.1-45.6177.4-75.4178.1178.6-179.50112.3M66 E67 F68 M72 Y73 E74 E109M66-K70 HydrophobicContact CG-CD 4.12Å; M66-K70 HydrophobicContact CG-CG 4.41Å; M66-K70 WeakPolarHBondContact O-CB 3.47Å; M66-K70 WeakPolarHBondContact O-CG 3.38Å; M66-K70 PolarHBondContact O-N 3.08Å; M66-K70 HydrophobicContact SD-CG 4.36Å; E67-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact C-N 3.34Å; F68-K70 PolarHBondContact O-N 3.34Å; K70-M72 VanDerWaalsContact C-N 3.33Å; K70-M72 PolarHBondContact O-N 3.26Å; K70-Y73 PolarHBondContact O-N 2.78Å; K70-E74 PolarHBondContact O-N 2.83Å; K70-E109 WeakPolarHBondContact CE-OE1 3.49Å; K70-E109 IonicContact NZ-OE1 3.17Å; K70-E109 PolarHBondContact NZ-OE1 3.01Å
71N90.7Very high84.8Confident97 Ų9780.8 Ų80.852%0.51941%0.408SS..Hα-helixtrans-60.5-45.4176.2-72.6-28.4000111E67 F68 E74 L75E67-N71 WeakPolarHBondContact O-CB 3.42Å; E67-N71 PolarHBondContact O-N 3.49Å; E67-N71 PolarHBondContact O-ND2 3.46Å; E67-N71 VanDerWaalsContact O-ND2 3.13Å; F68-N71 PolarHBondContact O-N 2.99Å; N71-E74 PolarHBondContact O-N 2.82Å; N71-L75 WeakPolarHBondContact O-CG 3.47Å; N71-L75 PolarHBondContact O-N 2.96Å
72M87.7Confident85.8Confident49 Ų4978.6 Ų78.624%0.24141%0.405CS..Hα-helixtrans-66.3-41.8179.1-163.657.97100111.5F51 F68 K70 E74 L75 H76F51-M72 HydrophobicContact CB-CG 4.18Å; F51-M72 HydrophobicContact CD1-CG 4.16Å; F51-M72 HydrophobicContact CD2-CB 4.02Å; F51-M72 HydrophobicContact CD2-CG 3.57Å; F51-M72 HydrophobicContact CE1-CG 4.44Å; F51-M72 HydrophobicContact CE2-CB 3.82Å; F51-M72 HydrophobicContact CE2-CG 3.87Å; F51-M72 HydrophobicContact CG-CG 3.72Å; F51-M72 HydrophobicContact CZ-CB 4.18Å; F51-M72 HydrophobicContact CZ-CG 4.29Å; F68-M72 HydrophobicContact CE1-CB 4.47Å; F68-M72 HydrophobicContact CE1-CE 3.89Å; F68-M72 HydrophobicContact CE2-CE 4.06Å; F68-M72 HydrophobicContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact O-CB 3.29Å; F68-M72 WeakPolarHBondContact O-CB 3.31Å; F68-M72 PolarHBondContact O-N 2.95Å; K70-M72 VanDerWaalsContact C-N 3.33Å; K70-M72 PolarHBondContact O-N 3.26Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-E74 PolarHBondContact O-N 3.38Å; M72-L75 PolarHBondContact O-N 3.47Å; M72-L75 HydrophobicContact SD-CD1 4.34Å; M72-H76 PolarHBondContact O-CD2 3.29Å; M72-H76 VanDerWaalsContact O-CD2 3.31Å; M72-H76 PolarHBondContact O-N 2.92Å
73Y88.7Confident86.5Confident55 Ų5579 Ų7922%0.21641%0.407CS..Hα-helixtrans-61.2-41174176.2-120.6000112.3L37 A69 K70 L75 H76 K77 I85L37-Y73 HydrophobicContact CD2-CD2 3.81Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å; A69-Y73 VanDerWaalsContact O-CB 3.24Å; A69-Y73 WeakPolarHBondContact O-CB 3.32Å; A69-Y73 PolarHBondContact O-N 2.96Å; K70-Y73 PolarHBondContact O-N 2.78Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.19Å; Y73-H76 PolarHBondContact O-N 2.89Å; Y73-K77 HydrophobicContact CE1-CD 4.49Å; Y73-K77 VanDerWaalsContact O-CB 3.31Å; Y73-K77 WeakPolarHBondContact O-CB 3.46Å; Y73-K77 PolarHBondContact O-N 3.42Å; Y73-I85 HydrophobicContact CD1-CD1 4.05Å; Y73-I85 HydrophobicContact CD2-CD1 3.96Å; Y73-I85 HydrophobicContact CD2-CG1 3.69Å; Y73-I85 HydrophobicContact CE1-CD1 4.27Å; Y73-I85 HydrophobicContact CE2-CD1 4.22Å; Y73-I85 HydrophobicContact CE2-CG1 3.72Å; Y73-I85 HydrophobicContact CG-CD1 3.86Å; Y73-I85 HydrophobicContact CG-CG1 4.14Å
74E89.8Confident87.2Confident97 Ų9778.9 Ų78.945%0.45340%0.399SS..Hα-helixtrans-62.5-42176.1-164.6-170.3149.100111.7K70 N71 M72 K77 R78K70-E74 PolarHBondContact O-N 2.83Å; N71-E74 PolarHBondContact O-N 2.82Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-E74 PolarHBondContact O-N 3.38Å; E74-K77 PolarHBondContact O-N 3.19Å; E74-R78 WeakPolarHBondContact O-CG 3.1Å; E74-R78 PolarHBondContact O-N 3.15Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.57Å; E74-R78 IonicContact OE1-NH2 2.77Å; E74-R78 PolarHBondContact OE1-NH2 2.61Å
75L91Very high87.6Confident95 Ų9579 Ų7950%0.49740%0.399SS..Hα-helixtrans-62-46.6175.3-68.9172.4000111.6N71 M72 Y73 K77 R78 V79N71-L75 WeakPolarHBondContact O-CG 3.47Å; N71-L75 PolarHBondContact O-N 2.96Å; M72-L75 PolarHBondContact O-N 3.47Å; M72-L75 HydrophobicContact SD-CD1 4.34Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.42Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.67Å; L75-R78 VanDerWaalsContact O-N 3.17Å; L75-V79 PolarHBondContact O-N 3.33Å
76H88.1Confident87.8Confident36 Ų3675.7 Ų75.717%0.16738%0.381CS..Hα-helixtrans-61.6-39.8176-88.4-86.8000112L37 N49 M72 Y73 R78 V79 S80 E83L37-H76 HydrophobicContact CD1-CB 3.76Å; N49-H76 PolarHBondContact ND2-CE1 2.91Å; N49-H76 PolarHBondContact ND2-ND1 3.15Å; M72-H76 PolarHBondContact O-CD2 3.29Å; M72-H76 VanDerWaalsContact O-CD2 3.31Å; M72-H76 PolarHBondContact O-N 2.92Å; Y73-H76 PolarHBondContact O-N 2.89Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.85Å; H76-V79 PolarHBondContact O-N 3.44Å; H76-V79 VanDerWaalsContact O-N 3.09Å; H76-S80 PolarHBondContact O-N 2.96Å; H76-E83 IonicContact ND1-OE2 2.94Å
77K88.8Confident88.4Confident107 Ų10772.7 Ų72.747%0.46537%0.366SS..Hα-helixtrans-64.9-29.6177.1-167.7169.9-175.5174.60112.9Y73 E74 L75 S80 P81Y73-K77 HydrophobicContact CE1-CD 4.49Å; Y73-K77 VanDerWaalsContact O-CB 3.31Å; Y73-K77 WeakPolarHBondContact O-CB 3.46Å; Y73-K77 PolarHBondContact O-N 3.42Å; E74-K77 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.42Å; K77-S80 CarbonylContact O-C 3.55Å; K77-P81 WeakPolarHBondContact O-CA 3.3Å
78R90.5Very high88.6Confident183 Ų18365.5 Ų65.569%0.69133%0.332SS*.Hα-helixtrans-70.1-35.7171.9-70.3179.4-171.9-165.94.8112.4E74 L75 H76E74-R78 WeakPolarHBondContact O-CG 3.1Å; E74-R78 PolarHBondContact O-N 3.15Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.57Å; E74-R78 IonicContact OE1-NH2 2.77Å; E74-R78 PolarHBondContact OE1-NH2 2.61Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.67Å; L75-R78 VanDerWaalsContact O-N 3.17Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.85Å
79V91Very high88.8Confident117 Ų11762.1 Ų62.171%0.70932%0.318SS*.Hα-helixtrans-77.1-41.61781780000111.1L75 H76L75-V79 PolarHBondContact O-N 3.33Å; H76-V79 PolarHBondContact O-N 3.44Å; H76-V79 VanDerWaalsContact O-N 3.09Å
80S85Confident89Confident39 Ų3961.8 Ų61.827%0.27331%0.314SS..  trans-143.596-175.8-70.70000110.3H76 K77 T82 E83H76-S80 PolarHBondContact O-N 2.96Å; K77-S80 CarbonylContact O-C 3.55Å; S80-T82 PolarHBondContact O-N 3.13Å; S80-E83 PolarHBondContact O-N 3.32Å
81P87.3Confident88.9Confident98 Ų9857 Ų5764%0.63629%0.294SS*.THydrogen-bonded Turntrans-72.5-10.6-174.728.9-35.5000113.8K77K77-P81 WeakPolarHBondContact O-CA 3.3Å
82T87.4Confident88.4Confident102 Ų10253.4 Ų53.463%0.62628%0.28SS*.THydrogen-bonded Turntrans-79.6-18.3177.750.80000113.1S80S80-T82 PolarHBondContact O-N 3.13Å
83E87.5Confident87.7Confident17 Ų1754.5 Ų54.58%0.07928%0.283CS..  trans-80.4131.2-176.8-64.1-169.1147.500111.1L37 T48 N49 H76 S80L37-E83 HydrophobicContact CB-CB 4.4Å; T48-E83 PolarHBondContact OG1-OE1 3.25Å; N49-E83 WeakPolarHBondContact CB-OE1 3.39Å; H76-E83 IonicContact ND1-OE2 2.94Å; S80-E83 PolarHBondContact O-N 3.32Å
84V89.3Confident86.9Confident59 Ų5957.3 Ų57.336%0.35830%0.302SS..EExtended strand (participates in β ladder)trans-119.6158.4173.2-62.90000110.1L37 G38 I40 I86L37-V84 WeakPolarHBondContact CA-O 3.49Å; G38-V84 PolarHBondContact N-O 3.2Å; G38-V84 VanDerWaalsContact N-O 3.08Å; G38-V84 WeakPolarHBondContact O-CG2 3.27Å; G38-V84 PolarHBondContact O-N 3.07Å; I40-V84 HydrophobicContact CD1-CG2 4.32Å; I40-V84 HydrophobicContact CG1-CG2 4.34Å; V84-I86 PolarHBondContact O-N 3.23Å
85I89.1Confident86.3Confident37 Ų3755.6 Ų55.619%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-69.7114.2173-60.7172.5000108.4T35 L37 Y73 A110T35-I85 HydrophobicContact CG2-CG1 4.28Å; T35-I85 HydrophobicContact CG2-CG2 3.7Å; L37-I85 HydrophobicContact CD2-CG1 3.87Å; Y73-I85 HydrophobicContact CD1-CD1 4.05Å; Y73-I85 HydrophobicContact CD2-CD1 3.96Å; Y73-I85 HydrophobicContact CD2-CG1 3.69Å; Y73-I85 HydrophobicContact CE1-CD1 4.27Å; Y73-I85 HydrophobicContact CE2-CD1 4.22Å; Y73-I85 HydrophobicContact CE2-CG1 3.72Å; Y73-I85 HydrophobicContact CG-CD1 3.86Å; Y73-I85 HydrophobicContact CG-CG1 4.14Å; I85-A110 HydrophobicContact CG2-CB 4.4Å
86I88.2Confident85.5Confident4 Ų453.2 Ų53.22%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-92.3-28.9178.5-69.1170.8000110.8I36 G38 I40 I45 E46 V47 V84 P113 I114I36-I86 HydrophobicContact CD1-CB 4.48Å; I36-I86 HydrophobicContact CD1-CG2 4.14Å; I36-I86 HydrophobicContact CG1-CB 4.38Å; I36-I86 PolarHBondContact O-N 3.4Å; I36-I86 VanDerWaalsContact O-N 3.12Å; G38-I86 VanDerWaalsContact C-CD1 3.41Å; G38-I86 VanDerWaalsContact CA-CD1 3.41Å; I40-I86 HydrophobicContact CD1-CG1 4.38Å; I40-I86 HydrophobicContact CG1-CG1 3.96Å; I45-I86 HydrophobicContact CG2-CB 4.47Å; I45-I86 HydrophobicContact CG2-CD1 3.66Å; I45-I86 HydrophobicContact CG2-CG1 4.17Å; I45-I86 HydrophobicContact CG2-CG2 3.49Å; I45-I86 VanDerWaalsContact CG2-CG2 3.49Å; E46-I86 WeakPolarHBondContact O-CD1 3.33Å; V47-I86 HydrophobicContact CG2-CD1 4.47Å; V84-I86 PolarHBondContact O-N 3.23Å; I86-P113 WeakPolarHBondContact O-CA 3.48Å; I86-I114 HydrophobicContact CG2-CB 4.26Å; I86-I114 HydrophobicContact CG2-CD1 3.49Å; I86-I114 VanDerWaalsContact CG2-CD1 3.49Å; I86-I114 HydrophobicContact CG2-CG1 4.03Å; I86-I114 PolarHBondContact O-N 3.48Å
87G90.3Very high85Confident0 Ų059.6 Ų59.60%032%0.315CS..EExtended strand (participates in β ladder)trans159.9-146.8-175.700000111.4T35 I36 I114T35-G87 WeakPolarHBondContact CG2-O 3.31Å; I36-G87 WeakPolarHBondContact CG1-O 3.36Å; I36-G87 PolarHBondContact N-O 3.29Å; G87-I114 WeakPolarHBondContact CA-O 3.44Å
88W91Very high84.6Confident0 Ų056.2 Ų56.20%030%0.301CS..EExtended strand (participates in β ladder)trans-143155.8-173.867.6-75.7000111.9I33 G34 A90 S99 I102 H103 Y106 I114 H115 L116I33-W88 HydrophobicContact CG1-CZ3 4.47Å; I33-W88 HydrophobicContact CG2-CE3 3.98Å; I33-W88 HydrophobicContact CG2-CZ3 4.31Å; G34-W88 CarbonylContact O-C 3.58Å; G34-W88 WeakPolarHBondContact O-CA 3.4Å; G34-W88 VanDerWaalsContact O-CB 3.31Å; G34-W88 WeakPolarHBondContact O-CB 3.47Å; W88-A90 HydrophobicContact CE3-CB 4.31Å; W88-A90 HydrophobicContact CH2-CB 4.39Å; W88-A90 HydrophobicContact CZ3-CB 3.69Å; W88-S99 WeakPolarHBondContact CZ2-O 3.28Å; W88-I102 HydrophobicContact CD2-CG2 3.69Å; W88-I102 HydrophobicContact CE3-CG2 3.69Å; W88-I102 HydrophobicContact CG-CG2 4.38Å; W88-I102 HydrophobicContact CH2-CB 3.77Å; W88-I102 HydrophobicContact CH2-CD1 3.84Å; W88-I102 HydrophobicContact CH2-CG1 4.46Å; W88-I102 HydrophobicContact CH2-CG2 3.73Å; W88-I102 HydrophobicContact CZ2-CB 3.87Å; W88-I102 HydrophobicContact CZ2-CG2 3.77Å; W88-I102 HydrophobicContact CZ3-CB 4.15Å; W88-I102 HydrophobicContact CZ3-CD1 3.89Å; W88-I102 HydrophobicContact CZ3-CG2 3.67Å; W88-H103 HydrophobicContact CZ2-CB 4.24Å; W88-H103 AromaticContact NE1-ND1 3.3Å; W88-H103 PolarHBondContact NE1-ND1 3.36Å; W88-Y106 HydrophobicContact CB-CD1 4.42Å; W88-Y106 HydrophobicContact CB-CD2 3.81Å; W88-Y106 HydrophobicContact CB-CE1 4.21Å; W88-Y106 HydrophobicContact CB-CE2 3.59Å; W88-Y106 HydrophobicContact CB-CG 4.23Å; W88-Y106 AromaticContact CD1-CD2 3.66Å; W88-Y106 AromaticContact CD1-CG 3.91Å; W88-Y106 HydrophobicContact CD2-CD2 4.34Å; W88-Y106 HydrophobicContact CD2-CE2 4.44Å; W88-Y106 AromaticContact CG-CD2 3.68Å; W88-Y106 HydrophobicContact CG-CD2 3.68Å; W88-Y106 AromaticContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CG 4.22Å; W88-I114 PolarHBondContact N-O 3.07Å; W88-I114 VanDerWaalsContact O-O 3.13Å; W88-H115 AromaticContact CD2-ND1 3.49Å; W88-H115 AromaticContact CE2-CE1 3.83Å; W88-H115 AromaticContact CE2-CG 3.9Å; W88-H115 AromaticContact CE2-ND1 3.14Å; W88-H115 AromaticContact CE3-CE1 3.91Å; W88-H115 AromaticContact CE3-ND1 3.71Å; W88-H115 AromaticContact CH2-CE1 3.11Å; W88-H115 WeakPolarHBondContact CH2-CE1 3.28Å; W88-H115 AromaticContact CH2-ND1 3.37Å; W88-H115 WeakPolarHBondContact CH2-ND1 3.33Å; W88-H115 AromaticContact CH2-NE2 4Å; W88-H115 HydrophobicContact CZ2-CB 4.48Å; W88-H115 AromaticContact CZ2-CE1 3.32Å; W88-H115 WeakPolarHBondContact CZ2-CE1 3.3Å; W88-H115 AromaticContact CZ2-CG 3.78Å; W88-H115 AromaticContact CZ2-ND1 3.08Å; W88-H115 WeakPolarHBondContact CZ2-ND1 3.17Å; W88-H115 AromaticContact CZ3-CE1 3.45Å; W88-H115 VanDerWaalsContact CZ3-CE1 3.45Å; W88-H115 WeakPolarHBondContact CZ3-CE1 3.16Å; W88-H115 AromaticContact CZ3-ND1 3.69Å; W88-H115 AromaticContact NE1-ND1 3.76Å; W88-H115 WeakPolarHBondContact O-CA 3.34Å; W88-L116 PolarHBondContact O-N 3.5Å
89Y91.5Very high84Confident0 Ų047.5 Ų47.50%027%0.268CS..EExtended strand (participates in β ladder)trans-114.3151.6172.973.8-93.7000111.1I18 V32 I33 G34 I36 C50 S52 L116I18-Y89 HydrophobicContact CB-CE2 4.32Å; I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.02Å; I18-Y89 HydrophobicContact CD1-CE2 4.44Å; I18-Y89 HydrophobicContact CD1-CG 3.92Å; I18-Y89 HydrophobicContact CG1-CD1 4.17Å; I18-Y89 HydrophobicContact CG1-CD2 3.84Å; I18-Y89 HydrophobicContact CG1-CE1 4.05Å; I18-Y89 HydrophobicContact CG1-CE2 3.75Å; I18-Y89 HydrophobicContact CG1-CG 4.05Å; I18-Y89 HydrophobicContact CG2-CD2 4.08Å; I18-Y89 HydrophobicContact CG2-CE2 3.95Å; V32-Y89 HydrophobicContact CG1-CE2 4.27Å; I33-Y89 WeakPolarHBondContact CA-O 3.43Å; G34-Y89 PolarHBondContact N-O 3Å; G34-Y89 WeakPolarHBondContact O-CD1 3.5Å; G34-Y89 PolarHBondContact O-N 3.32Å; I36-Y89 HydrophobicContact CG2-CD1 3.72Å; I36-Y89 HydrophobicContact CG2-CG 4.37Å; C50-Y89 HydrophobicContact CB-CD1 4.21Å; C50-Y89 HydrophobicContact CB-CE1 3.91Å; S52-Y89 WeakPolarHBondContact CA-OH 3.26Å; Y89-L116 CarbonylContact C-O 3.54Å; Y89-L116 WeakPolarHBondContact CA-O 3.42Å
90A89Confident83.6Confident2 Ų244.6 Ų44.62%0.01725%0.25CS..EExtended strand (participates in β ladder)trans-130.9144.2168.900000110.3V32 W88 L116 T117 V118V32-A90 WeakPolarHBondContact O-CA 3.42Å; W88-A90 HydrophobicContact CE3-CB 4.31Å; W88-A90 HydrophobicContact CH2-CB 4.39Å; W88-A90 HydrophobicContact CZ3-CB 3.69Å; A90-L116 PolarHBondContact N-O 3.01Å; A90-T117 WeakPolarHBondContact O-CA 3.31Å; A90-V118 PolarHBondContact O-N 2.96Å
91T85.9Confident83.4Confident2 Ų246 Ų461%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-85.7135.2164.762.20000110I18 Y22 R31 V32 V118 T120I18-T91 HydrophobicContact CG2-CG2 4.04Å; Y22-T91 HydrophobicContact CD2-CG2 3.84Å; Y22-T91 HydrophobicContact CG-CG2 4.5Å; R31-T91 WeakPolarHBondContact CA-OG1 3.04Å; V32-T91 HydrophobicContact CB-CG2 4.13Å; V32-T91 PolarHBondContact N-OG1 3.42Å; V32-T91 PolarHBondContact O-N 3.5Å; T91-V118 WeakPolarHBondContact CA-O 3.48Å; T91-T120 HydrophobicContact CG2-CG2 4.25Å
92G80Confident83.2Confident22 Ų2241.4 Ų41.423%0.22722%0.224CC..SBendtrans144.2151.8-176.100000112.6V118G92-V118 PolarHBondContact N-O 2.92Å
93F73.1Confident83.1Confident72 Ų7236.8 Ų36.832%0.31620%0.196SC..SBendtrans-81.2-40.9177.3179.2-98.4000112.1D119F93-D119 HydrophobicContact CD2-CB 4.37Å
94D71.3Confident82.8Confident114 Ų11441.1 Ų41.161%0.6122%0.216SC*.SBendtrans-103.5149.3-175.1-72.3-48.1000113.1T96D94-T96 PolarHBondContact O-N 2.91Å
95I76.4Confident82.4Confident62 Ų6243.7 Ų43.732%0.31822%0.22SC..  trans-81108.9170.7-56.9171.8000107.2Y132 F148I95-Y132 HydrophobicContact CD1-CD1 4.36Å; I95-Y132 HydrophobicContact CD1-CD2 4.19Å; I95-Y132 HydrophobicContact CD1-CE1 4.15Å; I95-Y132 HydrophobicContact CD1-CE2 3.91Å; I95-Y132 HydrophobicContact CD1-CG 4.39Å; I95-Y132 HydrophobicContact CG1-CE2 4.25Å; I95-F148 HydrophobicContact CD1-CB 3.85Å; I95-F148 HydrophobicContact CD1-CD2 3.98Å; I95-F148 HydrophobicContact CD1-CG 4.04Å; I95-F148 HydrophobicContact CG2-CD2 3.78Å; I95-F148 HydrophobicContact CG2-CE2 3.72Å
96T75.8Confident82.1Confident45 Ų4542.5 Ų42.528%0.27621%0.213SC..  trans-81.5161.717657.20000111.8R31 D94 H98 S99R31-T96 VanDerWaalsContact CZ-OG1 3.28Å; R31-T96 PolarHBondContact NH1-OG1 3.07Å; R31-T96 PolarHBondContact NH2-OG1 2.95Å; D94-T96 PolarHBondContact O-N 2.91Å; T96-H98 PolarHBondContact O-N 3.15Å; T96-S99 WeakPolarHBondContact O-CB 3.38Å; T96-S99 PolarHBondContact O-N 3.37Å; T96-S99 PolarHBondContact O-OG 3.26Å; T96-S99 PolarHBondContact OG1-N 3.19Å; T96-S99 PolarHBondContact OG1-OG 3.44Å; T96-S99 VanDerWaalsContact OG1-OG 3.11Å
97E77.6Confident81.8Confident170 Ų17044.7 Ų44.779%0.79423%0.229SC*.Hα-helixtrans-58.5-36.3172.7-64.2-175.8168.600112.3S99 V100E97-S99 PolarHBondContact O-N 2.97Å; E97-S99 VanDerWaalsContact O-N 3.11Å; E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.42Å
98H78.9Confident81.3Confident35 Ų3553 Ų5316%0.16226%0.26CS..Hα-helixtrans-56.2-28.3172.7-56.4-48.4000113.7E57 E59 V62 T96 V100 L101 I102E57-H98 IonicContact OE1-CD2 3.17Å; E59-H98 PolarHBondContact O-CE1 3.36Å; E59-H98 VanDerWaalsContact O-CE1 3.29Å; V62-H98 HydrophobicContact CG2-CB 3.65Å; T96-H98 PolarHBondContact O-N 3.15Å; H98-V100 VanDerWaalsContact C-N 3.25Å; H98-V100 PolarHBondContact O-N 3.49Å; H98-L101 PolarHBondContact O-N 3.29Å; H98-I102 WeakPolarHBondContact O-CD1 3.42Å; H98-I102 WeakPolarHBondContact O-CG1 3.5Å; H98-I102 PolarHBondContact O-N 3.46Å
99S79.2Confident80.6Confident0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-66.8-29.4178-58.70000111.8R31 W88 T96 E97 H103R31-S99 PolarHBondContact NH2-OG 2.97Å; W88-S99 WeakPolarHBondContact CZ2-O 3.28Å; T96-S99 WeakPolarHBondContact O-CB 3.38Å; T96-S99 PolarHBondContact O-N 3.37Å; T96-S99 PolarHBondContact O-OG 3.26Å; T96-S99 PolarHBondContact OG1-N 3.19Å; T96-S99 PolarHBondContact OG1-OG 3.44Å; T96-S99 VanDerWaalsContact OG1-OG 3.11Å; E97-S99 PolarHBondContact O-N 2.97Å; E97-S99 VanDerWaalsContact O-N 3.11Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 2.86Å
100V81.3Confident79.5Confident56 Ų5658.5 Ų58.534%0.33929%0.288SS..Hα-helixtrans-68.2-42.5177.2-178.10000110.5E97 H98 H103 E104 V146 F148E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.42Å; H98-V100 VanDerWaalsContact C-N 3.25Å; H98-V100 PolarHBondContact O-N 3.49Å; V100-H103 PolarHBondContact O-N 3.22Å; V100-E104 PolarHBondContact O-N 3.14Å; V100-V146 HydrophobicContact CG1-CB 4.44Å; V100-V146 HydrophobicContact CG1-CG2 4.38Å; V100-F148 HydrophobicContact CG2-CE2 4.24Å
101L82.1Confident78.5Confident69 Ų6964.5 Ų64.536%0.36133%0.325SS..Hα-helixtrans-61.1-52.3177.4-62.6174.8000110.7H98 H103 E104 Y105H98-L101 PolarHBondContact O-N 3.29Å; L101-H103 PolarHBondContact O-N 3.1Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E104 VanDerWaalsContact O-N 3.17Å; L101-Y105 HydrophobicContact CB-CE2 4.33Å; L101-Y105 WeakPolarHBondContact O-CD2 3.36Å; L101-Y105 PolarHBondContact O-N 3.12Å; L101-Y105 VanDerWaalsContact O-N 3.08Å
102I83.3Confident78Confident1 Ų170.1 Ų70.11%0.00536%0.355CS..Hα-helixtrans-57.1-42177-60156.2000110.7I33 V62 V64 W88 H98 E104 Y105 Y106I33-I102 HydrophobicContact CD1-CD1 3.43Å; I33-I102 VanDerWaalsContact CD1-CD1 3.43Å; I33-I102 HydrophobicContact CD1-CG1 4.4Å; I33-I102 HydrophobicContact CG1-CD1 4.39Å; V62-I102 HydrophobicContact CG1-CD1 4.11Å; V62-I102 HydrophobicContact CG1-CG1 4.17Å; V64-I102 HydrophobicContact CG2-CG1 4.41Å; W88-I102 HydrophobicContact CD2-CG2 3.69Å; W88-I102 HydrophobicContact CE3-CG2 3.69Å; W88-I102 HydrophobicContact CG-CG2 4.38Å; W88-I102 HydrophobicContact CH2-CB 3.77Å; W88-I102 HydrophobicContact CH2-CD1 3.84Å; W88-I102 HydrophobicContact CH2-CG1 4.46Å; W88-I102 HydrophobicContact CH2-CG2 3.73Å; W88-I102 HydrophobicContact CZ2-CB 3.87Å; W88-I102 HydrophobicContact CZ2-CG2 3.77Å; W88-I102 HydrophobicContact CZ3-CB 4.15Å; W88-I102 HydrophobicContact CZ3-CD1 3.89Å; W88-I102 HydrophobicContact CZ3-CG2 3.67Å; H98-I102 WeakPolarHBondContact O-CD1 3.42Å; H98-I102 WeakPolarHBondContact O-CG1 3.5Å; H98-I102 PolarHBondContact O-N 3.46Å; I102-E104 PolarHBondContact O-N 3.23Å; I102-Y105 WeakPolarHBondContact O-CB 3.44Å; I102-Y105 PolarHBondContact O-N 3.3Å; I102-Y106 HydrophobicContact CG2-CD2 3.75Å; I102-Y106 HydrophobicContact CG2-CE2 3.76Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.46Å
103H83.5Confident78.3Confident6 Ų669.1 Ų69.13%0.02834%0.344CS..Hα-helixtrans-65.8-38.9-179.8-164.283000113W88 S99 V100 L101 Y105 Y106 S107 P113 S134 F148W88-H103 HydrophobicContact CZ2-CB 4.24Å; W88-H103 AromaticContact NE1-ND1 3.3Å; W88-H103 PolarHBondContact NE1-ND1 3.36Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 2.86Å; V100-H103 PolarHBondContact O-N 3.22Å; L101-H103 PolarHBondContact O-N 3.1Å; H103-Y105 VanDerWaalsContact C-N 3.31Å; H103-Y105 PolarHBondContact O-N 2.81Å; H103-Y106 PolarHBondContact O-N 3.4Å; H103-S107 WeakPolarHBondContact O-CB 3.49Å; H103-S107 PolarHBondContact O-N 3.16Å; H103-P113 PolarHBondContact CE1-O 3.23Å; H103-P113 VanDerWaalsContact CE1-O 3.31Å; H103-S134 WeakPolarHBondContact NE2-CB 3.35Å; H103-S134 PolarHBondContact NE2-OG 3.48Å; H103-F148 HydrophobicContact CB-CE1 4.37Å; H103-F148 HydrophobicContact CB-CZ 4.08Å; H103-F148 AromaticContact CE1-CE1 4Å; H103-F148 AromaticContact CG-CE1 3.84Å; H103-F148 AromaticContact ND1-CE1 3.68Å
104E81.8Confident79Confident107 Ų10765.8 Ų65.850%0.533%0.33SS..Hα-helixtrans-62.7-39.8172.9-162.9-167.813800111.3V100 L101 I102 S107 R108V100-E104 PolarHBondContact O-N 3.14Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E104 VanDerWaalsContact O-N 3.17Å; I102-E104 PolarHBondContact O-N 3.23Å; E104-S107 WeakPolarHBondContact O-CB 3.46Å; E104-S107 PolarHBondContact O-N 3.07Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH2 3.84Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å
105Y81.7Confident79.9Confident113 Ų11360.4 Ų60.444%0.44330%0.301SS..Hα-helixtrans-60.7-49.2175.5-70-65000112L101 I102 H103 S107 R108L101-Y105 HydrophobicContact CB-CE2 4.33Å; L101-Y105 WeakPolarHBondContact O-CD2 3.36Å; L101-Y105 PolarHBondContact O-N 3.12Å; L101-Y105 VanDerWaalsContact O-N 3.08Å; I102-Y105 WeakPolarHBondContact O-CB 3.44Å; I102-Y105 PolarHBondContact O-N 3.3Å; H103-Y105 VanDerWaalsContact C-N 3.31Å; H103-Y105 PolarHBondContact O-N 2.81Å; Y105-S107 VanDerWaalsContact C-N 3.27Å; Y105-S107 PolarHBondContact O-N 3.49Å; Y105-R108 WeakPolarHBondContact O-CB 3.36Å; Y105-R108 PolarHBondContact O-N 3.12Å
106Y83.2Confident80.5Confident12 Ų1257.4 Ų57.45%0.04729%0.286CS..Hα-helixtrans-68.6-25.6177.3-82.2-79.9000113.2T35 W88 I102 H103 R108 E109 A110T35-Y106 HydrophobicContact CG2-CE1 4.01Å; T35-Y106 PolarHBondContact OG1-OH 3.05Å; W88-Y106 HydrophobicContact CB-CD1 4.42Å; W88-Y106 HydrophobicContact CB-CD2 3.81Å; W88-Y106 HydrophobicContact CB-CE1 4.21Å; W88-Y106 HydrophobicContact CB-CE2 3.59Å; W88-Y106 HydrophobicContact CB-CG 4.23Å; W88-Y106 AromaticContact CD1-CD2 3.66Å; W88-Y106 AromaticContact CD1-CG 3.91Å; W88-Y106 HydrophobicContact CD2-CD2 4.34Å; W88-Y106 HydrophobicContact CD2-CE2 4.44Å; W88-Y106 AromaticContact CG-CD2 3.68Å; W88-Y106 HydrophobicContact CG-CD2 3.68Å; W88-Y106 AromaticContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CG 4.22Å; I102-Y106 HydrophobicContact CG2-CD2 3.75Å; I102-Y106 HydrophobicContact CG2-CE2 3.76Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.46Å; H103-Y106 PolarHBondContact O-N 3.4Å; Y106-R108 PolarHBondContact O-N 2.93Å; Y106-E109 PolarHBondContact O-N 2.72Å; Y106-A110 PolarHBondContact O-N 3.01Å
107S80.9Confident81.1Confident50 Ų5055.6 Ų55.635%0.3527%0.274SS..Hα-helixtrans-68-16.9174.4-170.80000113.3H103 E104 Y105H103-S107 WeakPolarHBondContact O-CB 3.49Å; H103-S107 PolarHBondContact O-N 3.16Å; E104-S107 WeakPolarHBondContact O-CB 3.46Å; E104-S107 PolarHBondContact O-N 3.07Å; Y105-S107 VanDerWaalsContact C-N 3.27Å; Y105-S107 PolarHBondContact O-N 3.49Å
108R80.6Confident81.5Confident174 Ų17447.5 Ų47.566%0.65724%0.236SC*.Hα-helixtrans-79.8-29.8173.1-62.9176.1-174.1-1753.2112.3E104 Y105 Y106E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH2 3.84Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å; Y105-R108 WeakPolarHBondContact O-CB 3.36Å; Y105-R108 PolarHBondContact O-N 3.12Å; Y106-R108 PolarHBondContact O-N 2.93Å
109E74.6Confident81.8Confident104 Ų10446 Ų4649%0.48623%0.229SC..Hα-helixtrans-96.5-32.9-176.2-69.2-77.4164.700112.3K70 Y106K70-E109 WeakPolarHBondContact CE-OE1 3.49Å; K70-E109 IonicContact NZ-OE1 3.17Å; K70-E109 PolarHBondContact NZ-OE1 3.01Å; Y106-E109 PolarHBondContact O-N 2.72Å
110A69.8Low81.4Confident13 Ų1347.4 Ų47.411%0.10724%0.238CC..SBendtrans-122.9142.8-177.100000112.8I85 Y106 N112I85-A110 HydrophobicContact CG2-CB 4.4Å; Y106-A110 PolarHBondContact O-N 3.01Å; A110-N112 PolarHBondContact O-N 3.4Å
111T67.3Low80.7Confident128 Ų12847.6 Ų47.679%0.78525%0.246SC*.SBendtrans-80116.6172.6-43.90000109.1
112N76.4Confident79.9Confident119 Ų11948.8 Ų48.864%0.63625%0.252SS*.SBendtrans57.167.2-175.9-58.8-28.7000114.1A110 I114A110-N112 PolarHBondContact O-N 3.4Å; N112-I114 PolarHBondContact O-N 3.01Å
113P85Confident78.9Confident1 Ų156.3 Ų56.31%0.00629%0.287CS..  trans-62.7137.717926.3-33.7000111.5I86 H103I86-P113 WeakPolarHBondContact O-CA 3.48Å; H103-P113 PolarHBondContact CE1-O 3.23Å; H103-P113 VanDerWaalsContact CE1-O 3.31Å
114I88.2Confident77.7Confident2 Ų259.7 Ų59.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-89.8133.7171.1-59.7173.2000109.1V8 I36 I45 I86 G87 W88 N112 A131V8-I114 HydrophobicContact CG2-CD1 4.02Å; I36-I114 HydrophobicContact CD1-CB 4.35Å; I36-I114 HydrophobicContact CD1-CG2 4.5Å; I45-I114 HydrophobicContact CB-CD1 4.02Å; I45-I114 HydrophobicContact CD1-CD1 3.37Å; I45-I114 HydrophobicContact CD1-CG1 4.26Å; I45-I114 HydrophobicContact CG1-CD1 4.24Å; I45-I114 HydrophobicContact CG2-CD1 3.68Å; I86-I114 HydrophobicContact CG2-CB 4.26Å; I86-I114 HydrophobicContact CG2-CD1 3.49Å; I86-I114 VanDerWaalsContact CG2-CD1 3.49Å; I86-I114 HydrophobicContact CG2-CG1 4.03Å; I86-I114 PolarHBondContact O-N 3.48Å; G87-I114 WeakPolarHBondContact CA-O 3.44Å; W88-I114 PolarHBondContact N-O 3.07Å; W88-I114 VanDerWaalsContact O-O 3.13Å; N112-I114 PolarHBondContact O-N 3.01Å; I114-A131 HydrophobicContact CG2-CB 4.14Å
115H89.4Confident76.9Confident1 Ų157.5 Ų57.51%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-102.4115.5170.9179.350.7000109.8W88 T117 A131 Y132 F148W88-H115 AromaticContact CD2-ND1 3.49Å; W88-H115 AromaticContact CE2-CE1 3.83Å; W88-H115 AromaticContact CE2-CG 3.9Å; W88-H115 AromaticContact CE2-ND1 3.14Å; W88-H115 AromaticContact CE3-CE1 3.91Å; W88-H115 AromaticContact CE3-ND1 3.71Å; W88-H115 AromaticContact CH2-CE1 3.11Å; W88-H115 WeakPolarHBondContact CH2-CE1 3.28Å; W88-H115 AromaticContact CH2-ND1 3.37Å; W88-H115 WeakPolarHBondContact CH2-ND1 3.33Å; W88-H115 AromaticContact CH2-NE2 4Å; W88-H115 HydrophobicContact CZ2-CB 4.48Å; W88-H115 AromaticContact CZ2-CE1 3.32Å; W88-H115 WeakPolarHBondContact CZ2-CE1 3.3Å; W88-H115 AromaticContact CZ2-CG 3.78Å; W88-H115 AromaticContact CZ2-ND1 3.08Å; W88-H115 WeakPolarHBondContact CZ2-ND1 3.17Å; W88-H115 AromaticContact CZ3-CE1 3.45Å; W88-H115 VanDerWaalsContact CZ3-CE1 3.45Å; W88-H115 WeakPolarHBondContact CZ3-CE1 3.16Å; W88-H115 AromaticContact CZ3-ND1 3.69Å; W88-H115 AromaticContact NE1-ND1 3.76Å; W88-H115 WeakPolarHBondContact O-CA 3.34Å; H115-T117 VanDerWaalsContact NE2-CG2 3.27Å; H115-T117 WeakPolarHBondContact NE2-CG2 3.41Å; H115-A131 CarbonylContact O-C 3.53Å; H115-Y132 AromaticContact CD2-CD2 3.98Å; H115-Y132 PolarHBondContact N-O 2.91Å; H115-Y132 PolarHBondContact O-N 2.93Å; H115-F148 HydrophobicContact CB-CD1 4.46Å; H115-F148 HydrophobicContact CB-CE1 4.15Å
116L89.3Confident76.4Confident0 Ų059.9 Ų59.90%033%0.33CS..EExtended strand (participates in β ladder)trans-103.1124.3178.1-169.6157.6000109.7I10 I18 W88 Y89 A90 V118 I129I10-L116 HydrophobicContact CD1-CD1 3.58Å; I10-L116 HydrophobicContact CG1-CD1 4.41Å; I18-L116 HydrophobicContact CD1-CD2 4.27Å; W88-L116 PolarHBondContact O-N 3.5Å; Y89-L116 CarbonylContact C-O 3.54Å; Y89-L116 WeakPolarHBondContact CA-O 3.42Å; A90-L116 PolarHBondContact N-O 3.01Å; L116-V118 HydrophobicContact CD2-CG2 3.25Å; L116-I129 HydrophobicContact CD2-CG2 4.03Å; L116-I129 HydrophobicContact CG-CG2 4.35Å
117T88.8Confident75.9Confident6 Ų662.7 Ų62.74%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-106.5131.5174.856.10000110.2A90 H115 I129 R130 Y132A90-T117 WeakPolarHBondContact O-CA 3.31Å; H115-T117 VanDerWaalsContact NE2-CG2 3.27Å; H115-T117 WeakPolarHBondContact NE2-CG2 3.41Å; T117-I129 WeakPolarHBondContact O-CA 3.33Å; T117-R130 PolarHBondContact N-O 2.69Å; T117-R130 PolarHBondContact O-N 2.95Å; T117-R130 PolarHBondContact OG1-O 3.44Å; T117-R130 VanDerWaalsContact OG1-O 3.1Å; T117-Y132 HydrophobicContact CG2-CD2 4.1Å; T117-Y132 HydrophobicContact CG2-CE2 3.71Å; T117-Y132 VanDerWaalsContact OG1-CE2 3.26Å; T117-Y132 WeakPolarHBondContact OG1-CE2 3.42Å
118V86.9Confident75.9Confident0 Ų062.8 Ų62.80%034%0.341CS..EExtended strand (participates in β ladder)trans-118114176.1-176.50000109.2I18 A90 T91 G92 L116 T120 M127I18-V118 HydrophobicContact CD1-CG2 3.96Å; I18-V118 HydrophobicContact CG2-CB 4.24Å; I18-V118 HydrophobicContact CG2-CG1 4.32Å; I18-V118 HydrophobicContact CG2-CG2 4.04Å; A90-V118 PolarHBondContact O-N 2.96Å; T91-V118 WeakPolarHBondContact CA-O 3.48Å; G92-V118 PolarHBondContact N-O 2.92Å; L116-V118 HydrophobicContact CD2-CG2 3.25Å; V118-T120 HydrophobicContact CG1-CG2 4.32Å; V118-T120 PolarHBondContact O-N 3.49Å; V118-M127 HydrophobicContact CG1-CE 3.14Å; V118-M127 HydrophobicContact CG1-CG 4.43Å
119D84.1Confident76.1Confident3 Ų355.3 Ų55.32%0.01631%0.314CS..  trans-78.9109.7174.2178.715.7000110.3F93 A121 M127 N128F93-D119 HydrophobicContact CD2-CB 4.37Å; D119-A121 PolarHBondContact OD1-N 3.23Å; D119-M127 WeakPolarHBondContact O-CG 3.21Å; D119-N128 HydrophobicContact CB-CB 3.95Å; D119-N128 PolarHBondContact N-O 3.05Å
120T71.8Confident76.7Confident30 Ų3054.7 Ų54.718%0.18431%0.307CS..  trans-98.8-9.1175.455.50000112.9Y22 T91 V118 L122Y22-T120 HydrophobicContact CD1-CG2 3.93Å; Y22-T120 HydrophobicContact CD2-CG2 3.98Å; Y22-T120 HydrophobicContact CE1-CG2 4.07Å; Y22-T120 HydrophobicContact CE2-CG2 4.1Å; Y22-T120 VanDerWaalsContact CE2-OG1 3.29Å; Y22-T120 WeakPolarHBondContact CE2-OG1 3.49Å; Y22-T120 HydrophobicContact CG-CG2 3.88Å; Y22-T120 PolarHBondContact OH-OG1 3.41Å; T91-T120 HydrophobicContact CG2-CG2 4.25Å; V118-T120 HydrophobicContact CG1-CG2 4.32Å; V118-T120 PolarHBondContact O-N 3.49Å; T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 VanDerWaalsContact O-CD1 3.3Å; T120-L122 WeakPolarHBondContact O-CD1 3.48Å; T120-L122 PolarHBondContact O-N 2.88Å
121A66.7Low77.6Confident60 Ų6054 Ų5450%0.49630%0.302SS..SBendtrans-80.2-10.2-177.600000112.8D119 Q123D119-A121 PolarHBondContact OD1-N 3.23Å; A121-Q123 HydrophobicContact CB-CG 4.11Å; A121-Q123 PolarHBondContact O-N 2.95Å
122L65.6Low78.5Confident95 Ų9548.8 Ų48.850%0.49727%0.268SS..  trans47.729.9176.7-8584.7000113.6T120 S124 G125T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 VanDerWaalsContact O-CD1 3.3Å; T120-L122 WeakPolarHBondContact O-CD1 3.48Å; T120-L122 PolarHBondContact O-N 2.88Å; L122-S124 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact O-N 3.1Å; L122-G125 PolarHBondContact O-N 2.9Å
123Q60.4Low79Confident159 Ų15944.6 Ų44.674%0.74325%0.246SC*.THydrogen-bonded Turntrans-61-27.5-177.1-68.9-174.4-2.700112.3A121A121-Q123 HydrophobicContact CB-CG 4.11Å; A121-Q123 PolarHBondContact O-N 2.95Å
124S60.1Low78.8Confident77 Ų7745.6 Ų45.654%0.53825%0.253SS..THydrogen-bonded Turntrans-91.36.7175.664.70000114.3L122 K126L122-S124 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact O-N 3.1Å; S124-K126 PolarHBondContact O-N 3.43Å; S124-K126 PolarHBondContact OG-O 3.4Å
125G64.2Low78.4Confident60 Ų6047.5 Ų47.562%0.61927%0.27SS*.SBendtrans72.10.2-175.700000114.8L122L122-G125 PolarHBondContact O-N 2.9Å
126K71.1Confident77.5Confident163 Ų16354.5 Ų54.571%0.70930%0.302SS*.SBendtrans-136.4146.3175.3-65.1-178.8-177.4176.60109.9S124 N128S124-K126 PolarHBondContact O-N 3.43Å; S124-K126 PolarHBondContact OG-O 3.4Å; K126-N128 PolarHBondContact O-N 3.4Å
127M73.3Confident76.2Confident72 Ų7261.2 Ų61.236%0.35534%0.335SS..  trans-67.6120.3170.9-172.3174.8-178.100108.7V118 D119 I129V118-M127 HydrophobicContact CG1-CE 3.14Å; V118-M127 HydrophobicContact CG1-CG 4.43Å; D119-M127 WeakPolarHBondContact O-CG 3.21Å; M127-I129 HydrophobicContact CE-CD1 4.39Å; M127-I129 HydrophobicContact CG-CG1 4.46Å
128N80.1Confident74.8Confident52 Ų5263.1 Ų63.128%0.27836%0.356SS..  trans-102.1131179.8-156-11.8000109.6D119 K126 R130D119-N128 HydrophobicContact CB-CB 3.95Å; D119-N128 PolarHBondContact N-O 3.05Å; K126-N128 PolarHBondContact O-N 3.4Å; N128-R130 PolarHBondContact ND2-NE 2.82Å; N128-R130 PolarHBondContact ND2-NH2 3.3Å; N128-R130 VanDerWaalsContact ND2-NH2 3.11Å
129I84.8Confident73.6Confident16 Ų1668.3 Ų68.38%0.08239%0.388CS..EExtended strand (participates in β ladder)trans-125.6117.8-178.8-52.7-172.1000107.2I10 L15 L116 T117 M127 Y155I10-I129 HydrophobicContact CD1-CG2 4.11Å; L15-I129 HydrophobicContact CD1-CD1 3.77Å; L15-I129 HydrophobicContact CD2-CD1 3.34Å; L15-I129 HydrophobicContact CG-CD1 4.18Å; L116-I129 HydrophobicContact CD2-CG2 4.03Å; L116-I129 HydrophobicContact CG-CG2 4.35Å; T117-I129 WeakPolarHBondContact O-CA 3.33Å; M127-I129 HydrophobicContact CE-CD1 4.39Å; M127-I129 HydrophobicContact CG-CG1 4.46Å; I129-Y155 HydrophobicContact CD1-CE1 4.45Å; I129-Y155 WeakPolarHBondContact CD1-OH 3.4Å
130R87.4Confident72.3Confident91 Ų9174.6 Ų74.634%0.34343%0.428SS..EExtended strand (participates in β ladder)trans-126.5129.7-179.2-56.7176.8-175.4171.35.7108.8T117 N128 Y132T117-R130 PolarHBondContact N-O 2.69Å; T117-R130 PolarHBondContact O-N 2.95Å; T117-R130 PolarHBondContact OG1-O 3.44Å; T117-R130 VanDerWaalsContact OG1-O 3.1Å; N128-R130 PolarHBondContact ND2-NE 2.82Å; N128-R130 PolarHBondContact ND2-NH2 3.3Å; N128-R130 VanDerWaalsContact ND2-NH2 3.11Å; R130-Y132 HydrophobicContact CB-CE1 4.48Å; R130-Y132 HydrophobicContact CB-CE2 3.82Å; R130-Y132 WeakPolarHBondContact CD-OH 3.36Å
131A88.3Confident71.8Confident0 Ų077.2 Ų77.20%046%0.461CS..EExtended strand (participates in β ladder)trans-98.8141.8169.600000108.9V8 I114 H115 L151 V153V8-A131 HydrophobicContact CB-CB 4.26Å; V8-A131 HydrophobicContact CG1-CB 4.47Å; V8-A131 HydrophobicContact CG2-CB 3.9Å; I114-A131 HydrophobicContact CG2-CB 4.14Å; H115-A131 CarbonylContact O-C 3.53Å; A131-L151 HydrophobicContact CB-CB 4.2Å; A131-L151 PolarHBondContact O-N 3.48Å; A131-V153 HydrophobicContact CB-CG2 3.57Å
132Y87.8Confident71.7Confident18 Ų1882.6 Ų82.67%0.07147%0.474CS..EExtended strand (participates in β ladder)trans-129.8146.3177.9-57.1-80.2000109.9I95 H115 T117 R130 F148 T149 P150I95-Y132 HydrophobicContact CD1-CD1 4.36Å; I95-Y132 HydrophobicContact CD1-CD2 4.19Å; I95-Y132 HydrophobicContact CD1-CE1 4.15Å; I95-Y132 HydrophobicContact CD1-CE2 3.91Å; I95-Y132 HydrophobicContact CD1-CG 4.39Å; I95-Y132 HydrophobicContact CG1-CE2 4.25Å; H115-Y132 AromaticContact CD2-CD2 3.98Å; H115-Y132 PolarHBondContact N-O 2.91Å; H115-Y132 PolarHBondContact O-N 2.93Å; T117-Y132 HydrophobicContact CG2-CD2 4.1Å; T117-Y132 HydrophobicContact CG2-CE2 3.71Å; T117-Y132 VanDerWaalsContact OG1-CE2 3.26Å; T117-Y132 WeakPolarHBondContact OG1-CE2 3.42Å; R130-Y132 HydrophobicContact CB-CE1 4.48Å; R130-Y132 HydrophobicContact CB-CE2 3.82Å; R130-Y132 WeakPolarHBondContact CD-OH 3.36Å; Y132-F148 HydrophobicContact CD1-CB 4.06Å; Y132-F148 HydrophobicContact CG-CB 4.12Å; Y132-T149 WeakPolarHBondContact CA-O 3.46Å; Y132-P150 HydrophobicContact CD1-CB 4.05Å; Y132-P150 HydrophobicContact CE1-CB 4.01Å
133V86.3Confident71.2Confident30 Ų3084.6 Ų84.618%0.18249%0.49CS..EExtended strand (participates in β ladder)trans-115138.8166.2650000108.7T149 L151V133-T149 PolarHBondContact N-O 2.95Å; V133-T149 PolarHBondContact O-N 3.34Å; V133-L151 HydrophobicContact CB-CD1 4Å; V133-L151 HydrophobicContact CB-CG 4.31Å; V133-L151 HydrophobicContact CG1-CD1 4.24Å; V133-L151 HydrophobicContact CG1-CD2 3.96Å; V133-L151 HydrophobicContact CG1-CG 4.08Å
134S81.3Confident71.3Confident22 Ų2281.3 Ų81.315%0.15448%0.481CS..EExtended strand (participates in β ladder)trans-73.9129.4172.954.50000110.9H103H103-S134 WeakPolarHBondContact NE2-CB 3.35Å; H103-S134 PolarHBondContact NE2-OG 3.48Å
135A77.9Confident71.6Confident43 Ų4379.4 Ų79.436%0.35547%0.473SS..EExtended strand (participates in β ladder)trans-110117.6159.100000107.5M137 M147A135-M137 PolarHBondContact O-N 2.98Å; A135-M147 PolarHBondContact N-O 3.24Å; A135-M147 PolarHBondContact O-N 2.9Å
136Q70.9Confident72Confident147 Ų14779 Ų7969%0.68746%0.459SS*.EExtended strand (participates in β ladder)trans-69.8120169.4-66.8-175.5100107.8V144Q136-V144 HydrophobicContact CB-CG1 4.46Å
137M63.4Low72.3Confident142 Ų14276.9 Ų76.970%0.745%0.453SS*.EExtended strand (participates in β ladder)trans-121.3107.4176.8-171.2174161.400107.7A135 G145A135-M137 PolarHBondContact O-N 2.98Å; M137-G145 CarbonylContact C-O 3.59Å; M137-G145 PolarHBondContact N-O 3.24Å; M137-G145 PolarHBondContact O-N 3.34Å; M137-G145 VanDerWaalsContact O-N 3.1Å; M137-G145 VanDerWaalsContact O-O 3.05Å
138G58.7Low72.7Confident46 Ų4674.6 Ų74.647%0.47444%0.441SS..  trans-145.8143.5-179.400000110.8
139V61.6Low72.9Confident109 Ų10975 Ų7566%0.66145%0.445SS*.  trans-83.9135.2166.4-174.40000107.2G141 K142V139-G141 PolarHBondContact O-N 2.93Å; V139-K142 PolarHBondContact O-N 3.29Å
140P56.7Low73Confident134 Ų13478.6 Ų78.687%0.8747%0.469SS*.THydrogen-bonded Turntrans-53.6114.2175.1-22.631.3000110.5
141G60.4Low72.9Confident85 Ų8575.1 Ų75.188%0.87646%0.458SS*.THydrogen-bonded Turntrans104.34.1177.100000117.7V139V139-G141 PolarHBondContact O-N 2.93Å
142K64.9Low72.7Confident174 Ų17479.1 Ų79.176%0.75749%0.486SS*.SBendtrans-133.7173.7170.4-85.7-174.2178.7-179.20111.8V139 V144V139-K142 PolarHBondContact O-N 3.29Å; K142-V144 PolarHBondContact O-N 3.48Å
143T56.2Low72.7Confident136 Ų13680 Ų8083%0.83449%0.493SS*.  trans-42.3117.8179.6-44.30000111.5G145T143-G145 PolarHBondContact O-N 3.33Å
144V63Low72.8Confident91 Ų9184.6 Ų84.655%0.55251%0.51SS*.  trans-77113.1175.2-177.20000106.9Q136 K142Q136-V144 HydrophobicContact CB-CG1 4.46Å; K142-V144 PolarHBondContact O-N 3.48Å
145G64.8Low73.2Confident37 Ų3788.2 Ų88.238%0.38152%0.521SS..EExtended strand (participates in β ladder)trans-88.9140.8173.700000110.3M137 T143M137-G145 CarbonylContact C-O 3.59Å; M137-G145 PolarHBondContact N-O 3.24Å; M137-G145 PolarHBondContact O-N 3.34Å; M137-G145 VanDerWaalsContact O-N 3.1Å; M137-G145 VanDerWaalsContact O-O 3.05Å; T143-G145 PolarHBondContact O-N 3.33Å
146V73.1Confident73.7Confident52 Ų5288.6 Ų88.632%0.31552%0.517SS..EExtended strand (participates in β ladder)trans-98.7119.7169.1-176.40000107.7V100V100-V146 HydrophobicContact CG1-CB 4.44Å; V100-V146 HydrophobicContact CG1-CG2 4.38Å
147M77.8Confident74.3Confident117 Ų11786.9 Ų86.958%0.57651%0.505SS*.EExtended strand (participates in β ladder)trans-104.9132.8173.9-171176.2-17900109.8A135A135-M147 PolarHBondContact N-O 3.24Å; A135-M147 PolarHBondContact O-N 2.9Å
148F81.9Confident75.4Confident25 Ų2585.9 Ų85.911%0.1149%0.494CS..EExtended strand (participates in β ladder)trans-88.2110.9173.9-71.1-74.8000109.9I95 V100 H103 H115 Y132I95-F148 HydrophobicContact CD1-CB 3.85Å; I95-F148 HydrophobicContact CD1-CD2 3.98Å; I95-F148 HydrophobicContact CD1-CG 4.04Å; I95-F148 HydrophobicContact CG2-CD2 3.78Å; I95-F148 HydrophobicContact CG2-CE2 3.72Å; V100-F148 HydrophobicContact CG2-CE2 4.24Å; H103-F148 HydrophobicContact CB-CE1 4.37Å; H103-F148 HydrophobicContact CB-CZ 4.08Å; H103-F148 AromaticContact CE1-CE1 4Å; H103-F148 AromaticContact CG-CE1 3.84Å; H103-F148 AromaticContact ND1-CE1 3.68Å; H115-F148 HydrophobicContact CB-CD1 4.46Å; H115-F148 HydrophobicContact CB-CE1 4.15Å; Y132-F148 HydrophobicContact CD1-CB 4.06Å; Y132-F148 HydrophobicContact CG-CB 4.12Å
149T84.6Confident76.7Confident60 Ų6089.9 Ų89.937%0.36851%0.505SS..EExtended strand (participates in β ladder)trans-88.7123.1174.7-56.40000108.9Y132 V133Y132-T149 WeakPolarHBondContact CA-O 3.46Å; V133-T149 PolarHBondContact N-O 2.95Å; V133-T149 PolarHBondContact O-N 3.34Å
150P85.3Confident78Confident91 Ų9190.1 Ų90.159%0.59151%0.507SS*.EExtended strand (participates in β ladder)trans-68.2138.8179.727.9-33.9000111.4Y132Y132-P150 HydrophobicContact CD1-CB 4.05Å; Y132-P150 HydrophobicContact CE1-CB 4.01Å
151L85.8Confident79.4Confident19 Ų1985.4 Ų85.410%0.09947%0.473CS..EExtended strand (participates in β ladder)trans-107152.6174.6-65.9179.9000111P6 V8 A131 V133 V153P6-L151 HydrophobicContact CG-CD1 4.28Å; V8-L151 HydrophobicContact CG2-CB 4.17Å; V8-L151 HydrophobicContact CG2-CD1 3.78Å; A131-L151 HydrophobicContact CB-CB 4.2Å; A131-L151 PolarHBondContact O-N 3.48Å; V133-L151 HydrophobicContact CB-CD1 4Å; V133-L151 HydrophobicContact CB-CG 4.31Å; V133-L151 HydrophobicContact CG1-CD1 4.24Å; V133-L151 HydrophobicContact CG1-CD2 3.96Å; V133-L151 HydrophobicContact CG1-CG 4.08Å; L151-V153 PolarHBondContact O-N 2.86Å
152S84.9Confident80.7Confident84 Ų8489.3 Ų89.359%0.58746%0.461SS*.  trans-76.2120.4173.5-66.40000110.3V8V8-S152 PolarHBondContact N-O 3.36Å; V8-S152 VanDerWaalsContact N-O 3.1Å
153V87.3Confident81.7Confident37 Ų3786.9 Ų86.922%0.22446%0.455CS..EExtended strand (participates in β ladder)trans-93.7132.7175.6177.10000109.7V8 I10 A131 L151 Y155V8-V153 CarbonylContact O-C 3.39Å; V8-V153 WeakPolarHBondContact O-CA 3.35Å; I10-V153 HydrophobicContact CD1-CG1 3.35Å; I10-V153 HydrophobicContact CD1-CG2 4.43Å; I10-V153 HydrophobicContact CG1-CG1 3.98Å; A131-V153 HydrophobicContact CB-CG2 3.57Å; L151-V153 PolarHBondContact O-N 2.86Å; V153-Y155 HydrophobicContact CG1-CE1 4.47Å
154K89.4Confident83.1Confident125 Ų12582 Ų8254%0.54343%0.431SS..EExtended strand (participates in β ladder)trans-126.8144.5171.4-64.8-172.3-177179.30109.4V7 V8 K9 I10V7-K154 HydrophobicContact CG1-CB 4.45Å; V7-K154 HydrophobicContact CG1-CD 3.84Å; V7-K154 HydrophobicContact CG1-CG 3.97Å; V8-K154 PolarHBondContact O-N 3.44Å; K9-K154 CarbonylContact C-O 3.57Å; K9-K154 VanDerWaalsContact CA-O 3.27Å; K9-K154 WeakPolarHBondContact CA-O 3.5Å; I10-K154 PolarHBondContact N-O 3.45Å
155Y88.6Confident84.2Confident98 Ų9879.9 Ų79.938%0.38442%0.419SS..EExtended strand (participates in β ladder)trans-89.3132.8172-56.2-64.9000109.9I10 L15 I129 V153 Y157I10-Y155 HydrophobicContact CB-CD1 4.29Å; I10-Y155 WeakPolarHBondContact O-CA 3.48Å; L15-Y155 HydrophobicContact CD1-CD1 4.32Å; L15-Y155 HydrophobicContact CD1-CE1 3.74Å; I129-Y155 HydrophobicContact CD1-CE1 4.45Å; I129-Y155 WeakPolarHBondContact CD1-OH 3.4Å; V153-Y155 HydrophobicContact CG1-CE1 4.47Å; Y155-Y157 VanDerWaalsContact CB-OH 3.27Å; Y155-Y157 WeakPolarHBondContact CB-OH 3.29Å
156I88.3Confident85.2Confident51 Ų5180.3 Ų80.326%0.26241%0.413SS..  trans-116.5149169.1-65.1-165.4000107.5K9 I10 P12K9-I156 HydrophobicContact CB-CD1 3.63Å; K9-I156 HydrophobicContact CB-CG1 3.9Å; K9-I156 HydrophobicContact CD-CD1 3.33Å; K9-I156 HydrophobicContact CD-CG1 4.42Å; K9-I156 HydrophobicContact CG-CD1 3.4Å; K9-I156 VanDerWaalsContact CG-CD1 3.4Å; K9-I156 HydrophobicContact CG-CG1 4Å; I10-I156 PolarHBondContact O-N 3.13Å; P12-I156 VanDerWaalsContact CD-O 3.23Å; P12-I156 WeakPolarHBondContact CD-O 3.27Å
157Y83.6Confident85.6Confident111 Ų11180.5 Ų80.544%0.43541%0.412SS..  trans-134.3138.3-178.4-50.7-93.6000107.3P12 Y155P12-Y157 HydrophobicContact CG-CD1 3.3Å; P12-Y157 HydrophobicContact CG-CE1 3.25Å; P12-Y157 HydrophobicContact CG-CG 4.45Å; Y155-Y157 VanDerWaalsContact CB-OH 3.27Å; Y155-Y157 WeakPolarHBondContact CB-OH 3.29Å
158Y87.3Confident85.9Confident122 Ų12280.9 Ų80.948%0.47842%0.415SS..  trans-74.8154.9158.1-65.1-66.3000110.1H11 E46 T160 E161 R162H11-Y158 AromaticContact CE1-CD2 3.67Å; H11-Y158 AromaticContact CE1-CE2 3.21Å; H11-Y158 WeakPolarHBondContact CE1-CE2 3.41Å; H11-Y158 AromaticContact CE1-CZ 3.55Å; H11-Y158 AromaticContact ND1-CD2 3.82Å; H11-Y158 AromaticContact ND1-CE2 3.68Å; H11-Y158 AromaticContact NE2-CE2 3.88Å; E46-Y158 PolarHBondContact OE1-OH 3.41Å; Y158-T160 VanDerWaalsContact C-N 3.25Å; Y158-T160 PolarHBondContact O-N 3.2Å; Y158-E161 PolarHBondContact O-N 2.7Å; Y158-E161 VanDerWaalsContact O-N 3.13Å; Y158-R162 PolarHBondContact O-N 3.4Å
159D85.2Confident86Confident130 Ų13085.9 Ų85.970%0.69544%0.439SS*.Hα-helixtrans-59.1-38.7-179.4-71.9-43.8000112.2R162 I163D159-R162 WeakPolarHBondContact O-CB 3.27Å; D159-R162 PolarHBondContact O-N 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 3.43Å
160T88.6Confident85.7Confident114 Ų11486.4 Ų86.470%0.69943%0.434SS*.Hα-helixtrans-67.7-41.6175.850.60000112.1Y158 R162 I163 G164Y158-T160 VanDerWaalsContact C-N 3.25Å; Y158-T160 PolarHBondContact O-N 3.2Å; T160-R162 VanDerWaalsContact C-N 3.33Å; T160-I163 PolarHBondContact O-N 2.95Å; T160-G164 PolarHBondContact O-N 3.31Å; T160-G164 VanDerWaalsContact O-N 3.08Å
161E87.1Confident85.3Confident35 Ų3583.3 Ų83.316%0.16441%0.414CS..Hα-helixtrans-65.3-38.7176.2-171.3178.1-163.300111H11 P12 V13 Y158 I163 G164 V165H11-E161 IonicContact ND1-OE2 2.74Å; H11-E161 PolarHBondContact ND1-OE2 2.93Å; P12-E161 VanDerWaalsContact CB-OE1 3.29Å; P12-E161 WeakPolarHBondContact CB-OE1 3.31Å; P12-E161 WeakPolarHBondContact CD-OE1 3.44Å; P12-E161 HydrophobicContact CG-CG 4.38Å; P12-E161 WeakPolarHBondContact CG-OE1 3.5Å; V13-E161 PolarHBondContact N-OE1 3.44Å; Y158-E161 PolarHBondContact O-N 2.7Å; Y158-E161 VanDerWaalsContact O-N 3.13Å; E161-I163 VanDerWaalsContact C-N 3.29Å; E161-I163 PolarHBondContact O-N 2.94Å; E161-G164 PolarHBondContact O-N 3.35Å; E161-G164 VanDerWaalsContact O-N 3.15Å; E161-V165 HydrophobicContact CG-CG2 4.13Å; E161-V165 WeakPolarHBondContact O-CB 3.29Å; E161-V165 VanDerWaalsContact O-CG2 3.27Å; E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 2.9Å
162R87Confident84.9Confident167 Ų16793.2 Ų93.263%0.6345%0.45SS*.Hα-helixtrans-58-42.5175.4-166.6-17699.1171.64.8111.7Y158 D159 T160 D166Y158-R162 PolarHBondContact O-N 3.4Å; D159-R162 WeakPolarHBondContact O-CB 3.27Å; D159-R162 PolarHBondContact O-N 3.28Å; T160-R162 VanDerWaalsContact C-N 3.33Å; R162-D166 WeakPolarHBondContact O-CB 3.38Å; R162-D166 PolarHBondContact O-N 3.37Å
163I86.2Confident84.3Confident122 Ų12295.3 Ų95.363%0.62646%0.459SS*.Hα-helixtrans-65.5-44.9177-63.1163.8000110.2D159 T160 E161 D166 L167D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 3.43Å; T160-I163 PolarHBondContact O-N 2.95Å; E161-I163 VanDerWaalsContact C-N 3.29Å; E161-I163 PolarHBondContact O-N 2.94Å; I163-D166 PolarHBondContact O-N 2.89Å; I163-L167 PolarHBondContact O-N 2.92Å
164G85.5Confident83.5Confident33 Ų3395.4 Ų95.434%0.3446%0.46SS..Hα-helixtrans-60.6-45.7176.700000112.6T160 E161 L167 L168T160-G164 PolarHBondContact O-N 3.31Å; T160-G164 VanDerWaalsContact O-N 3.08Å; E161-G164 PolarHBondContact O-N 3.35Å; E161-G164 VanDerWaalsContact O-N 3.15Å; G164-L167 PolarHBondContact O-N 2.9Å; G164-L168 VanDerWaalsContact O-CG 3.31Å; G164-L168 WeakPolarHBondContact O-CG 3.49Å; G164-L168 PolarHBondContact O-N 3.24Å
165V87Confident82.5Confident47 Ų4795.9 Ų95.929%0.28548%0.475SS..Hα-helixtrans-66.4-40.5178.3174.50000111.4P12 E161 L167 L168 Q169P12-V165 HydrophobicContact CB-CG2 4.04Å; P12-V165 HydrophobicContact CG-CG2 4.23Å; E161-V165 HydrophobicContact CG-CG2 4.13Å; E161-V165 WeakPolarHBondContact O-CB 3.29Å; E161-V165 VanDerWaalsContact O-CG2 3.27Å; E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 2.9Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 3.06Å; V165-L168 PolarHBondContact O-N 3.42Å; V165-Q169 VanDerWaalsContact O-CB 3.31Å; V165-Q169 WeakPolarHBondContact O-CB 3.33Å; V165-Q169 PolarHBondContact O-N 2.93Å
166D84.4Confident81.6Confident47 Ų4795.2 Ų95.225%0.25149%0.485SS..Hα-helixtrans-61-41.4174.9-175.787.8000111.1R162 I163 Q169 R170 R194R162-D166 WeakPolarHBondContact O-CB 3.38Å; R162-D166 PolarHBondContact O-N 3.37Å; I163-D166 PolarHBondContact O-N 2.89Å; D166-Q169 PolarHBondContact O-N 3.45Å; D166-R170 WeakPolarHBondContact O-CG 3.36Å; D166-R170 PolarHBondContact O-N 3.36Å; D166-R170 IonicContact OD2-CZ 3.23Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 2.93Å; D166-R170 PolarHBondContact OD2-NE 3.11Å; D166-R170 IonicContact OD2-NH2 2.72Å; D166-R170 PolarHBondContact OD2-NH2 3.33Å; D166-R194 IonicContact OD1-NH1 3.58Å
167L82.9Confident80.6Confident56 Ų56102.9 Ų102.929%0.29351%0.511SS..Hα-helixtrans-64.4-45.4175.7-174.864.2000111.8I163 G164 V165 Q169 R170 L181I163-L167 PolarHBondContact O-N 2.92Å; G164-L167 PolarHBondContact O-N 2.9Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 3.06Å; L167-Q169 VanDerWaalsContact C-N 3.32Å; L167-Q169 PolarHBondContact O-N 2.92Å; L167-R170 WeakPolarHBondContact O-CB 3.27Å; L167-R170 PolarHBondContact O-N 3.27Å; L167-L181 HydrophobicContact CD2-CD2 4.35Å
168L83.8Confident79.9Confident124 Ų124102.2 Ų102.265%0.64952%0.518SS*.Hα-helixtrans-63.8-36.8177-70.5172.1000112.1G164 V165 R170 T171G164-L168 VanDerWaalsContact O-CG 3.31Å; G164-L168 WeakPolarHBondContact O-CG 3.49Å; G164-L168 PolarHBondContact O-N 3.24Å; V165-L168 PolarHBondContact O-N 3.42Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.13Å; L168-T171 VanDerWaalsContact O-CB 3.26Å; L168-T171 WeakPolarHBondContact O-CB 3.49Å; L168-T171 PolarHBondContact O-N 2.89Å
169Q83.4Confident79Confident131 Ų131100.7 Ų100.761%0.61251%0.514SS*.Hα-helixtrans-62.8-34.7177-174175.3-4.900111.7V165 D166 L167 T171 R172V165-Q169 VanDerWaalsContact O-CB 3.31Å; V165-Q169 WeakPolarHBondContact O-CB 3.33Å; V165-Q169 PolarHBondContact O-N 2.93Å; D166-Q169 PolarHBondContact O-N 3.45Å; L167-Q169 VanDerWaalsContact C-N 3.32Å; L167-Q169 PolarHBondContact O-N 2.92Å; Q169-T171 PolarHBondContact O-N 3.12Å; Q169-R172 WeakPolarHBondContact O-CB 3.45Å; Q169-R172 PolarHBondContact O-N 2.95Å
170R77.9Confident78.2Confident70 Ų7097.3 Ų97.326%0.26451%0.51SS..Hα-helixtrans-65.1-23.8175.1-65169.4-167.6-151.64.4112.7D166 L167 L168 R172 V173D166-R170 WeakPolarHBondContact O-CG 3.36Å; D166-R170 PolarHBondContact O-N 3.36Å; D166-R170 IonicContact OD2-CZ 3.23Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 2.93Å; D166-R170 PolarHBondContact OD2-NE 3.11Å; D166-R170 IonicContact OD2-NH2 2.72Å; D166-R170 PolarHBondContact OD2-NH2 3.33Å; L167-R170 WeakPolarHBondContact O-CB 3.27Å; L167-R170 PolarHBondContact O-N 3.27Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.13Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 3.46Å; R170-V173 PolarHBondContact O-N 3.34Å
171T77.9Confident77.6Confident27 Ų2799.6 Ų99.617%0.16652%0.517CS..Hα-helixtrans-70.2-24.6177-54.20000112.2L168 Q169 V173 T174 R177 K179L168-T171 VanDerWaalsContact O-CB 3.26Å; L168-T171 WeakPolarHBondContact O-CB 3.49Å; L168-T171 PolarHBondContact O-N 2.89Å; Q169-T171 PolarHBondContact O-N 3.12Å; T171-V173 PolarHBondContact O-N 2.93Å; T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 VanDerWaalsContact O-N 3.17Å; T171-R177 VanDerWaalsContact CG2-C 3.41Å; T171-R177 WeakPolarHBondContact CG2-O 3.37Å; T171-K179 HydrophobicContact CG2-CB 4.29Å
172R75.7Confident77.1Confident226 Ų22699.7 Ų99.785%0.85352%0.52SS*.THydrogen-bonded Turntrans-62.1-28.5177.5-173.3177.8171179.8-1.3113.1Q169 R170 T174Q169-R172 WeakPolarHBondContact O-CB 3.45Å; Q169-R172 PolarHBondContact O-N 2.95Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 3.46Å; R172-T174 VanDerWaalsContact C-N 3.34Å
173V72.4Confident77Confident129 Ų12995.7 Ų95.778%0.78252%0.518SS*.THydrogen-bonded Turntrans-78.1-23.4-178.8-173.60000111.4R170 T171R170-V173 PolarHBondContact O-N 3.34Å; T171-V173 PolarHBondContact O-N 2.93Å
174T72.1Confident76.9Confident39 Ų3995.7 Ų95.724%0.23952%0.519CS..SBendtrans-82.1128.4-178.5-53.80000110.6T171 R172 S176 R177T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 VanDerWaalsContact O-N 3.17Å; R172-T174 VanDerWaalsContact C-N 3.34Å; T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.23Å; T174-R177 PolarHBondContact O-N 3.22Å
175P67.1Low77Confident134 Ų134100.6 Ų100.687%0.8754%0.537SS*.THydrogen-bonded Turntrans-62.7-30.8-177.423.6-33.7000113.4R177P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.44Å
176S69.3Low76.9Confident85 Ų85101 Ų10159%0.59454%0.541SS*.THydrogen-bonded Turntrans-79.2-3.5178.9-166.30000113.7T174 T178T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.23Å; S176-T178 WeakPolarHBondContact CB-OG1 3.37Å; S176-T178 PolarHBondContact O-N 3.31Å; S176-T178 PolarHBondContact O-OG1 3.38Å; S176-T178 PolarHBondContact OG-OG1 2.91Å
177R69.2Low76.9Confident212 Ų212101.7 Ų101.780%0.854%0.543SS*.SBendtrans46.820.3-173.4-63.3-174.2178.5179.81.2115T171 T174 P175T171-R177 VanDerWaalsContact CG2-C 3.41Å; T171-R177 WeakPolarHBondContact CG2-O 3.37Å; T174-R177 PolarHBondContact O-N 3.22Å; P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.44Å
178T68Low77.2Confident96 Ų96103.6 Ų103.659%0.58956%0.557SS**  trans-129116-178.537.40000105.4S176S176-T178 WeakPolarHBondContact CB-OG1 3.37Å; S176-T178 PolarHBondContact O-N 3.31Å; S176-T178 PolarHBondContact O-OG1 3.38Å; S176-T178 PolarHBondContact OG-OG1 2.91Å
179K68.1Low77.5Confident90 Ų9099.7 Ų99.739%0.39155%0.547SS..  trans-127.4115.1173.9-163171.1-175.8173.30106.1T171 T182T171-K179 HydrophobicContact CG2-CB 4.29Å; K179-T182 HydrophobicContact CG-CG2 4.5Å
180G69.6Low77.6Confident60 Ų6096.3 Ų96.362%0.61954%0.538SS*.PPolyproline II helixtrans-62.6165.7171.500000110.6T182G180-T182 PolarHBondContact O-N 3.49Å; G180-T182 VanDerWaalsContact O-N 3.12Å
181L74.4Confident78.1Confident162 Ų16294.9 Ų94.985%0.84854%0.541SS*.PPolyproline II helixtrans-57.9119.9170.3-66.6171.9000108.5L167L167-L181 HydrophobicContact CD2-CD2 4.35Å
182T76.8Confident78.8Confident37 Ų3796.2 Ų96.223%0.22755%0.554CS.*PPolyproline II helixtrans-81.8143.9178.754.80000109.6K179 G180 S186 Q187K179-T182 HydrophobicContact CG-CG2 4.5Å; G180-T182 PolarHBondContact O-N 3.49Å; G180-T182 VanDerWaalsContact O-N 3.12Å; T182-S186 WeakPolarHBondContact CB-OG 3.43Å; T182-Q187 WeakPolarHBondContact OG1-CG 3.27Å; T182-Q187 PolarHBondContact OG1-NE2 3.3Å
183S84.4Confident79.6Confident82 Ų8288.1 Ų88.157%0.57353%0.532SS*.PPolyproline II helixtrans-55.5142.2170.8167.50000111.2L185 S186 Q187S183-L185 PolarHBondContact O-N 3.37Å; S183-L185 PolarHBondContact OG-N 2.83Å; S183-S186 PolarHBondContact N-OG 3.15Å; S183-S186 WeakPolarHBondContact O-CA 3.27Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.44Å; S183-S186 PolarHBondContact O-OG 2.79Å; S183-Q187 PolarHBondContact O-N 3.35Å; S183-Q187 VanDerWaalsContact O-N 3.08Å
184D85.4Confident80.5Confident123 Ų12388.7 Ų88.766%0.65852%0.521SS*.Hα-helixtrans-52.6-40.8178.8-58.2-31.4000112.1S186 Q187 V188D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; D184-Q187 WeakPolarHBondContact O-CB 3.08Å; D184-Q187 PolarHBondContact O-N 3.26Å; D184-Q187 VanDerWaalsContact O-N 3.08Å; D184-V188 WeakPolarHBondContact O-CG2 3.26Å; D184-V188 PolarHBondContact O-N 3.12Å
185L86.9Confident81.4Confident136 Ų13691.6 Ų91.671%0.71253%0.534SS*.Hα-helixtrans-62.3-39.1178.3-175.861.1000112.2S183 Q187 V188 G189S183-L185 PolarHBondContact O-N 3.37Å; S183-L185 PolarHBondContact OG-N 2.83Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-V188 PolarHBondContact O-N 3.13Å; L185-G189 PolarHBondContact O-N 2.97Å
186S85.7Confident82.8Confident54 Ų5491.2 Ų91.238%0.37852%0.52SS..Hα-helixtrans-69.8-30.5176.271.70000112.5T182 S183 D184 S190T182-S186 WeakPolarHBondContact CB-OG 3.43Å; S183-S186 PolarHBondContact N-OG 3.15Å; S183-S186 WeakPolarHBondContact O-CA 3.27Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.44Å; S183-S186 PolarHBondContact O-OG 2.79Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 PolarHBondContact O-OG 2.89Å
187Q84.2Confident84Confident62 Ų6291.6 Ų91.629%0.2952%0.516SS..Hα-helixtrans-67.9-41.8172.7-64.5-175-3.100111.2T182 S183 D184 L185 S190 A191T182-Q187 WeakPolarHBondContact OG1-CG 3.27Å; T182-Q187 PolarHBondContact OG1-NE2 3.3Å; S183-Q187 PolarHBondContact O-N 3.35Å; S183-Q187 VanDerWaalsContact O-N 3.08Å; D184-Q187 WeakPolarHBondContact O-CB 3.08Å; D184-Q187 PolarHBondContact O-N 3.26Å; D184-Q187 VanDerWaalsContact O-N 3.08Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-S190 PolarHBondContact O-N 3.41Å; Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.9Å
188V88.8Confident85.1Confident96 Ų9687 Ų8758%0.58251%0.505SS*.Hα-helixtrans-62.2-45.9174.7175.40000110.7D184 L185 S190 A191 A192D184-V188 WeakPolarHBondContact O-CG2 3.26Å; D184-V188 PolarHBondContact O-N 3.12Å; L185-V188 PolarHBondContact O-N 3.13Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.42Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.46Å; V188-A191 VanDerWaalsContact O-N 3.15Å; V188-A192 PolarHBondContact O-N 3.37Å
189G90.3Very high86.3Confident42 Ų4286.8 Ų86.843%0.43350%0.499SS..Hα-helixtrans-59.4-41.6175.400000112.9L185 A191 A192 S193L185-G189 PolarHBondContact O-N 2.97Å; G189-A191 PolarHBondContact O-N 3.23Å; G189-A192 PolarHBondContact O-N 3.21Å; G189-S193 PolarHBondContact O-N 3.03Å
190S85.8Confident87.6Confident61 Ų6186.4 Ų86.443%0.42750%0.504SS..Hα-helixtrans-65.2-38.7175.4-57.10000112.3S186 Q187 V188 S193 R194S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 PolarHBondContact O-OG 2.89Å; Q187-S190 PolarHBondContact O-N 3.41Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.42Å; S190-S193 PolarHBondContact O-N 3.13Å; S190-R194 PolarHBondContact O-N 2.95Å
191A88.1Confident88.7Confident40 Ų4088.3 Ų88.333%0.33150%0.504SS..Hα-helixtrans-66.1-40.9175.800000111.5Q187 V188 G189 R194 I195Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.9Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.46Å; V188-A191 VanDerWaalsContact O-N 3.15Å; G189-A191 PolarHBondContact O-N 3.23Å; A191-R194 PolarHBondContact O-N 3.37Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.1Å
192A92.9Very high89.5Confident54 Ų5483 Ų8345%0.44648%0.479SS..Hα-helixtrans-61.2-44.7174.400000111.7V188 G189 R194 I195 Q196V188-A192 PolarHBondContact O-N 3.37Å; G189-A192 PolarHBondContact O-N 3.21Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.08Å; A192-I195 PolarHBondContact O-N 3.23Å; A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 PolarHBondContact O-N 3.04Å
193S92.4Very high90.1Very high56 Ų5686 Ų8639%0.39249%0.493SS..Hα-helixtrans-59.2-43.3173.9-171.20000111.9G189 S190 I195 Q196 D197G189-S193 PolarHBondContact O-N 3.03Å; S190-S193 PolarHBondContact O-N 3.13Å; S193-I195 PolarHBondContact O-N 2.92Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.15Å; S193-D197 VanDerWaalsContact O-CG 3.31Å; S193-D197 PolarHBondContact O-N 2.81Å
194R90.3Very high90.5Very high142 Ų14284.3 Ų84.354%0.53648%0.483SS..Hα-helixtrans-62.8-40.9176.8-178.3179.3174.9176.10.4112.1D166 S190 A191 A192 Q196 D197 M198D166-R194 IonicContact OD1-NH1 3.58Å; S190-R194 PolarHBondContact O-N 2.95Å; A191-R194 PolarHBondContact O-N 3.37Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.08Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-D197 PolarHBondContact O-N 2.97Å; R194-M198 HydrophobicContact CG-SD 4.44Å; R194-M198 VanDerWaalsContact O-CG 3.3Å; R194-M198 WeakPolarHBondContact O-CG 3.33Å; R194-M198 PolarHBondContact O-N 3.23Å
195I92.9Very high90.7Very high100 Ų10081.8 Ų81.851%0.51347%0.465SS..Hα-helixtrans-65-41175.6-68.2167.3000110.2A191 A192 S193 M198 L199A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.1Å; A192-I195 PolarHBondContact O-N 3.23Å; S193-I195 PolarHBondContact O-N 2.92Å; I195-M198 PolarHBondContact O-N 2.81Å; I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CB 3.12Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 3.02Å
196Q94.9Very high90.8Very high125 Ų12578.7 Ų78.758%0.58445%0.449SS*.Hα-helixtrans-60.7-43.7175.5-177.4179.5-6.900111.9A192 S193 R194 L199 T200A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 PolarHBondContact O-N 3.04Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.15Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-L199 PolarHBondContact O-N 2.86Å; Q196-T200 WeakPolarHBondContact O-CB 3.38Å; Q196-T200 PolarHBondContact O-N 3.05Å; Q196-T200 PolarHBondContact O-OG1 3.49Å
197D95.2Very high91Very high94 Ų9482.5 Ų82.550%0.50346%0.461SS..Hα-helixtrans-64.1-42176.6-66.9-24000111.7S193 R194 T200 T201S193-D197 VanDerWaalsContact O-CG 3.31Å; S193-D197 PolarHBondContact O-N 2.81Å; R194-D197 PolarHBondContact O-N 2.97Å; D197-T200 PolarHBondContact O-N 3.06Å; D197-T201 PolarHBondContact O-N 3.36Å; D197-T201 PolarHBondContact O-OG1 3.26Å
198M92.3Very high91.2Very high116 Ų11682.2 Ų82.257%0.57146%0.461SS*.Hα-helixtrans-63-44.6175.3-72.9179.36500111.6R194 I195 T200 T201 V202R194-M198 HydrophobicContact CG-SD 4.44Å; R194-M198 VanDerWaalsContact O-CG 3.3Å; R194-M198 WeakPolarHBondContact O-CG 3.33Å; R194-M198 PolarHBondContact O-N 3.23Å; I195-M198 PolarHBondContact O-N 2.81Å; M198-T200 VanDerWaalsContact C-N 3.35Å; M198-T201 WeakPolarHBondContact O-CB 3.19Å; M198-T201 PolarHBondContact O-N 3.5Å; M198-V202 WeakPolarHBondContact O-CG2 3.45Å; M198-V202 PolarHBondContact O-N 3.02Å
199L92.4Very high91.2Very high91 Ų9179.5 Ų79.548%0.47644%0.444SS..Hα-helixtrans-62.8-41.8175.7-76.5170.5000111.5I195 Q196 T201 V202 L203I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CB 3.12Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 3.02Å; Q196-L199 PolarHBondContact O-N 2.86Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.92Å; L199-V202 PolarHBondContact O-N 3.16Å; L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.97Å
200T95.6Very high91.1Very high81 Ų8184.7 Ų84.750%0.49746%0.461SS..Hα-helixtrans-60.3-42176.7-55.60000111Q196 D197 M198 L203 A204Q196-T200 WeakPolarHBondContact O-CB 3.38Å; Q196-T200 PolarHBondContact O-N 3.05Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; D197-T200 PolarHBondContact O-N 3.06Å; M198-T200 VanDerWaalsContact C-N 3.35Å; T200-L203 PolarHBondContact O-N 3.49Å; T200-A204 WeakPolarHBondContact O-CB 3.11Å; T200-A204 PolarHBondContact O-N 3.28Å
201T92.8Very high91.2Very high100 Ų10085.1 Ų85.161%0.61346%0.464SS*.Hα-helixtrans-63.9-41.7176.2-53.20000111.9D197 M198 L199 Y205D197-T201 PolarHBondContact O-N 3.36Å; D197-T201 PolarHBondContact O-OG1 3.26Å; M198-T201 WeakPolarHBondContact O-CB 3.19Å; M198-T201 PolarHBondContact O-N 3.5Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.92Å; T201-Y205 PolarHBondContact O-N 3.36Å; T201-Y205 VanDerWaalsContact O-N 3.07Å
202V90.8Very high91Very high52 Ų5286.1 Ų86.132%0.31548%0.479SS..Hα-helixtrans-66.9-42.7177.5169.80000111.4M198 L199 Y205 I206 L224M198-V202 WeakPolarHBondContact O-CG2 3.45Å; M198-V202 PolarHBondContact O-N 3.02Å; L199-V202 PolarHBondContact O-N 3.16Å; V202-Y205 WeakPolarHBondContact O-CB 3.08Å; V202-Y205 PolarHBondContact O-N 2.75Å; V202-I206 HydrophobicContact CG1-CD1 3.86Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.93Å; V202-L224 HydrophobicContact CG1-CD2 3.47Å; V202-L224 VanDerWaalsContact CG1-CD2 3.47Å
203L91Very high90.5Very high100 Ų10091 Ų9152%0.52449%0.49SS..Hα-helixtrans-62.2-45.4176.6-72.4171.8000111.4L199 T200 Y205 I206 E207L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.97Å; T200-L203 PolarHBondContact O-N 3.49Å; L203-Y205 VanDerWaalsContact C-N 3.3Å; L203-Y205 PolarHBondContact O-N 3.4Å; L203-I206 PolarHBondContact O-N 3.43Å; L203-I206 VanDerWaalsContact O-N 3.12Å; L203-E207 PolarHBondContact O-N 2.79Å
204A92.1Very high89.9Confident45 Ų4591.1 Ų91.137%0.37249%0.488SS..Hα-helixtrans-58.3-42.5175.500000111.9T200 I206 E207 D208T200-A204 WeakPolarHBondContact O-CB 3.11Å; T200-A204 PolarHBondContact O-N 3.28Å; A204-I206 PolarHBondContact O-N 3.13Å; A204-E207 PolarHBondContact O-N 3.14Å; A204-D208 PolarHBondContact O-N 2.94Å
205Y89.7Confident89.3Confident71 Ų7190.4 Ų90.428%0.27850%0.5SS..Hα-helixtrans-62.2-42.4174.8176.2-100.6000112.4T201 V202 L203 D208 V209 V214 V220T201-Y205 PolarHBondContact O-N 3.36Å; T201-Y205 VanDerWaalsContact O-N 3.07Å; V202-Y205 WeakPolarHBondContact O-CB 3.08Å; V202-Y205 PolarHBondContact O-N 2.75Å; L203-Y205 VanDerWaalsContact C-N 3.3Å; L203-Y205 PolarHBondContact O-N 3.4Å; Y205-D208 PolarHBondContact O-N 3.31Å; Y205-V209 HydrophobicContact CD1-CG2 4.34Å; Y205-V209 HydrophobicContact CD2-CG2 4.4Å; Y205-V209 HydrophobicContact CE1-CG2 3.91Å; Y205-V209 HydrophobicContact CE2-CG2 3.99Å; Y205-V209 VanDerWaalsContact O-CG2 3.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.4Å; Y205-V214 HydrophobicContact CE2-CG1 4.05Å; Y205-V220 HydrophobicContact CD1-CG1 4.33Å; Y205-V220 HydrophobicContact CE1-CB 4.33Å; Y205-V220 HydrophobicContact CE1-CG1 3.69Å
206I87.9Confident88.6Confident70 Ų7088.9 Ų88.936%0.35950%0.502SS..Hα-helixtrans-63.4-43.3177.8-67163.5000110.8V202 L203 A204 V209 L210 L224V202-I206 HydrophobicContact CG1-CD1 3.86Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.93Å; L203-I206 PolarHBondContact O-N 3.43Å; L203-I206 VanDerWaalsContact O-N 3.12Å; A204-I206 PolarHBondContact O-N 3.13Å; I206-V209 PolarHBondContact O-N 2.75Å; I206-L210 VanDerWaalsContact O-CB 3.27Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 2.79Å; I206-L224 HydrophobicContact CD1-CD1 4.1Å; I206-L224 HydrophobicContact CG1-CD1 4.09Å
207E89.9Confident88.1Confident135 Ų13586.8 Ų86.863%0.63150%0.495SS*.Hα-helixtrans-63.4-39.9176.7-72.3179.6-178.400112.5L203 A204 L210 S211L203-E207 PolarHBondContact O-N 2.79Å; A204-E207 PolarHBondContact O-N 3.14Å; E207-L210 PolarHBondContact O-N 3.1Å; E207-S211 WeakPolarHBondContact O-CB 3.48Å; E207-S211 PolarHBondContact O-N 2.75Å; E207-S211 PolarHBondContact O-OG 3.29Å
208D89.6Confident87.7Confident56 Ų5689 Ų8930%0.29951%0.507SS..Hα-helixtrans-70-33.3177.6-81.7-24.4000112.9A204 Y205 S211 G212 K213 V214A204-D208 PolarHBondContact O-N 2.94Å; Y205-D208 PolarHBondContact O-N 3.31Å; D208-S211 WeakPolarHBondContact CA-OG 3.44Å; D208-S211 PolarHBondContact O-OG 3.47Å; D208-G212 PolarHBondContact O-N 2.87Å; D208-K213 PolarHBondContact O-N 2.89Å; D208-K213 IonicContact OD1-NZ 2.93Å; D208-K213 PolarHBondContact OD1-NZ 2.8Å; D208-V214 HydrophobicContact CB-CG2 4.08Å; D208-V214 PolarHBondContact O-N 2.91Å
209V89.2Confident87.5Confident38 Ų3886.2 Ų86.223%0.2350%0.499CS..Hα-helixtrans-70.8-41.7171.6173.50000110.9Y205 I206 G212 V214 A216Y205-V209 HydrophobicContact CD1-CG2 4.34Å; Y205-V209 HydrophobicContact CD2-CG2 4.4Å; Y205-V209 HydrophobicContact CE1-CG2 3.91Å; Y205-V209 HydrophobicContact CE2-CG2 3.99Å; Y205-V209 VanDerWaalsContact O-CG2 3.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.4Å; I206-V209 PolarHBondContact O-N 2.75Å; V209-G212 PolarHBondContact O-N 3.11Å; V209-G212 VanDerWaalsContact O-N 3.08Å; V209-V214 HydrophobicContact CG2-CB 4.17Å; V209-V214 HydrophobicContact CG2-CG1 4.3Å; V209-A216 HydrophobicContact CG1-CB 3.74Å
210L87Confident87.2Confident151 Ų15184.1 Ų84.179%0.79149%0.489SS*.Hα-helixtrans-69.8-33-179.1-162.8138000112.3I206 E207 G212I206-L210 VanDerWaalsContact O-CB 3.27Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 2.79Å; E207-L210 PolarHBondContact O-N 3.1Å; L210-G212 PolarHBondContact O-N 2.91Å
211S88.5Confident86.8Confident70 Ų7082.1 Ų82.149%0.4949%0.485SS..THydrogen-bonded Turntrans-78.5-2.3171.361.60000113.9E207 D208 K213E207-S211 WeakPolarHBondContact O-CB 3.48Å; E207-S211 PolarHBondContact O-N 2.75Å; E207-S211 PolarHBondContact O-OG 3.29Å; D208-S211 WeakPolarHBondContact CA-OG 3.44Å; D208-S211 PolarHBondContact O-OG 3.47Å; S211-K213 VanDerWaalsContact C-N 3.32Å; S211-K213 PolarHBondContact O-N 3.31Å
212G84.4Confident86.6Confident61 Ų6187 Ų8763%0.62949%0.492SS*.THydrogen-bonded Turntrans75.612.4175.600000115.1D208 V209 L210D208-G212 PolarHBondContact O-N 2.87Å; V209-G212 PolarHBondContact O-N 3.11Å; V209-G212 VanDerWaalsContact O-N 3.08Å; L210-G212 PolarHBondContact O-N 2.91Å
213K81.4Confident86.6Confident156 Ų15691.7 Ų91.768%0.67851%0.508SS*.SBendtrans-75-29.3177.3-64.5-178-157.5151.30112.7D208 S211D208-K213 PolarHBondContact O-N 2.89Å; D208-K213 IonicContact OD1-NZ 2.93Å; D208-K213 PolarHBondContact OD1-NZ 2.8Å; S211-K213 VanDerWaalsContact C-N 3.32Å; S211-K213 PolarHBondContact O-N 3.31Å
214V79.7Confident86.4Confident60 Ų6088.9 Ų88.936%0.36449%0.494SS..SBendtrans-122.3136.8-177.9179.80000109.6Y205 D208 V209 A216Y205-V214 HydrophobicContact CE2-CG1 4.05Å; D208-V214 HydrophobicContact CB-CG2 4.08Å; D208-V214 PolarHBondContact O-N 2.91Å; V209-V214 HydrophobicContact CG2-CB 4.17Å; V209-V214 HydrophobicContact CG2-CG1 4.3Å; V214-A216 PolarHBondContact O-N 2.83Å
215T78.6Confident86.3Confident126 Ų12692.7 Ų92.777%0.77351%0.506SS*.  trans-64.9127.2176.151.80000110.4D217T215-D217 PolarHBondContact O-N 3.42Å
216A76.7Confident86.4Confident69 Ų6993 Ų9357%0.5751%0.512SS*.  trans-62.2119178.600000111.2V209 V214V209-A216 HydrophobicContact CG1-CB 3.74Å; V214-A216 PolarHBondContact O-N 2.83Å
217D85.9Confident86.4Confident80 Ų8094.4 Ų94.443%0.42852%0.52SS..  trans-90.6115169.1-171.4-20.2000110.2T215 S219 V220 G221T215-D217 PolarHBondContact O-N 3.42Å; D217-S219 PolarHBondContact O-N 3.07Å; D217-S219 WeakPolarHBondContact OD1-CB 3.31Å; D217-S219 PolarHBondContact OD1-N 2.74Å; D217-S219 PolarHBondContact OD1-OG 2.96Å; D217-S219 PolarHBondContact OD2-OG 3.36Å; D217-V220 HydrophobicContact CB-CB 4.41Å; D217-V220 HydrophobicContact CB-CG2 4.08Å; D217-V220 PolarHBondContact O-N 3.2Å; D217-G221 PolarHBondContact O-N 3.03Å; D217-G221 VanDerWaalsContact O-N 3.13Å
218N85.4Confident86.3Confident142 Ų14292.9 Ų92.976%0.75952%0.519SS*.Hα-helixtrans-64.3-25.3179.7-74.5-6.9000113.2R222N218-R222 PolarHBondContact O-N 2.9Å; N218-R222 VanDerWaalsContact O-N 3.07Å
219S89.1Confident86.3Confident57 Ų5795.6 Ų95.640%0.39953%0.534SS..Hα-helixtrans-67.8-46.5177.170.10000111D217 R222 F223D217-S219 PolarHBondContact O-N 3.07Å; D217-S219 WeakPolarHBondContact OD1-CB 3.31Å; D217-S219 PolarHBondContact OD1-N 2.74Å; D217-S219 PolarHBondContact OD1-OG 2.96Å; D217-S219 PolarHBondContact OD2-OG 3.36Å; S219-R222 PolarHBondContact O-N 2.79Å; S219-F223 WeakPolarHBondContact O-CD2 3.18Å; S219-F223 PolarHBondContact O-N 2.84Å; S219-F223 VanDerWaalsContact O-N 3.07Å
220V86.4Confident86.4Confident46 Ų46100.4 Ų100.428%0.27955%0.552SS.*Hα-helixtrans-63.2-43.4175.8-178.20000110.5Y205 D217 R222 F223 L224Y205-V220 HydrophobicContact CD1-CG1 4.33Å; Y205-V220 HydrophobicContact CE1-CB 4.33Å; Y205-V220 HydrophobicContact CE1-CG1 3.69Å; D217-V220 HydrophobicContact CB-CB 4.41Å; D217-V220 HydrophobicContact CB-CG2 4.08Å; D217-V220 PolarHBondContact O-N 3.2Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 2.9Å; V220-F223 PolarHBondContact O-N 3.22Å; V220-F223 VanDerWaalsContact O-N 3.15Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CG 4.34Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.29Å
221G86.3Confident86.3Confident39 Ų3998 Ų9840%0.40254%0.543SS..Hα-helixtrans-56.9-40.6175.200000113.1D217 L224 M225D217-G221 PolarHBondContact O-N 3.03Å; D217-G221 VanDerWaalsContact O-N 3.13Å; G221-L224 PolarHBondContact O-N 2.92Å; G221-M225 PolarHBondContact O-N 3.3Å
222R90Very high86.1Confident204 Ų20499.2 Ų99.277%0.7755%0.549SS*.Hα-helixtrans-67.4-40.7176.1-170.3172.7-178.31580.6112.5N218 S219 V220 L224 M225 D226N218-R222 PolarHBondContact O-N 2.9Å; N218-R222 VanDerWaalsContact O-N 3.07Å; S219-R222 PolarHBondContact O-N 2.79Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 2.9Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-M225 PolarHBondContact O-N 2.83Å; R222-D226 PolarHBondContact O-N 2.86Å
223F89.9Confident85.9Confident149 Ų149103.3 Ų103.365%0.65456%0.562SS**Hα-helixtrans-64.6-38.8175.4-71.5-56.5000112.4S219 V220 D226 L227S219-F223 WeakPolarHBondContact O-CD2 3.18Å; S219-F223 PolarHBondContact O-N 2.84Å; S219-F223 VanDerWaalsContact O-N 3.07Å; V220-F223 PolarHBondContact O-N 3.22Å; V220-F223 VanDerWaalsContact O-N 3.15Å; F223-D226 PolarHBondContact O-N 3.07Å; F223-L227 WeakPolarHBondContact O-CB 3.43Å; F223-L227 PolarHBondContact O-N 3.35Å
224L87.8Confident86.1Confident41 Ų41100.3 Ų100.322%0.21555%0.553CS.*Hα-helixtrans-65.5-41.1175.3-68.7173.4000111.7V202 I206 V220 G221 R222 L227 V228V202-L224 HydrophobicContact CG1-CD2 3.47Å; V202-L224 VanDerWaalsContact CG1-CD2 3.47Å; I206-L224 HydrophobicContact CD1-CD1 4.1Å; I206-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CG 4.34Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.29Å; G221-L224 PolarHBondContact O-N 2.92Å; R222-L224 VanDerWaalsContact C-N 3.35Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-V228 WeakPolarHBondContact O-CG2 3.15Å; L224-V228 PolarHBondContact O-N 3.04Å; L224-V228 VanDerWaalsContact O-N 3.07Å
225M88.1Confident86.6Confident126 Ų126101.1 Ų101.162%0.62156%0.558SS**Hα-helixtrans-65.8-40.9176.9-164.1169.1-168.700111.9G221 R222 L227 V228 N229G221-M225 PolarHBondContact O-N 3.3Å; R222-M225 PolarHBondContact O-N 2.83Å; M225-L227 VanDerWaalsContact C-N 3.32Å; M225-L227 PolarHBondContact O-N 2.86Å; M225-V228 PolarHBondContact O-N 2.96Å; M225-N229 VanDerWaalsContact O-CB 3.3Å; M225-N229 WeakPolarHBondContact O-CB 3.46Å; M225-N229 PolarHBondContact O-N 2.84Å; M225-N229 PolarHBondContact O-ND2 2.84Å
226D92.3Very high87.1Confident76 Ų7699 Ų9941%0.40655%0.553SS.*Hα-helixtrans-63.1-37.7173.3-173.446.9000112R222 F223 K230R222-D226 PolarHBondContact O-N 2.86Å; F223-D226 PolarHBondContact O-N 3.07Å; D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 2.94Å; D226-K230 VanDerWaalsContact O-N 3.12Å; D226-K230 IonicContact OD1-NZ 3.49Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.97Å; D226-K230 PolarHBondContact OD2-NZ 2.97Å
227L88.9Confident87.8Confident101 Ų101102.8 Ų102.853%0.52956%0.559SS.*Hα-helixtrans-62-46.5175.9179.865.9000112.1F223 L224 M225 K230F223-L227 WeakPolarHBondContact O-CB 3.43Å; F223-L227 PolarHBondContact O-N 3.35Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.41Å; M225-L227 VanDerWaalsContact C-N 3.32Å; M225-L227 PolarHBondContact O-N 2.86Å; L227-K230 PolarHBondContact O-N 3.43Å
228V87.9Confident88Confident103 Ų103103.6 Ų103.662%0.62456%0.563SS**Hα-helixtrans-69.3-40.8179.9176.40000111L224 M225 K230 V231L224-V228 WeakPolarHBondContact O-CG2 3.15Å; L224-V228 PolarHBondContact O-N 3.04Å; L224-V228 VanDerWaalsContact O-N 3.07Å; M225-V228 PolarHBondContact O-N 2.96Å; V228-K230 PolarHBondContact O-N 3.14Å; V228-V231 PolarHBondContact O-N 3.38Å; V228-V231 VanDerWaalsContact O-N 3.14Å
229N89.6Confident88.2Confident112 Ų112101.8 Ų101.860%0.59955%0.549SS*.Hα-helixtrans-69.6-18.5-179.4-71.5-21.4000113.7M225 V231M225-N229 VanDerWaalsContact O-CB 3.3Å; M225-N229 WeakPolarHBondContact O-CB 3.46Å; M225-N229 PolarHBondContact O-N 2.84Å; M225-N229 PolarHBondContact O-ND2 2.84Å; N229-V231 VanDerWaalsContact C-N 3.26Å
230K90.9Very high88.3Confident139 Ų139104.8 Ų104.860%0.60456%0.556SS**THydrogen-bonded Turntrans-72.4-18.8172.8-80.9170.7-172.7163.10113.3D226 L227 V228 P232D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 2.94Å; D226-K230 VanDerWaalsContact O-N 3.12Å; D226-K230 IonicContact OD1-NZ 3.49Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.97Å; D226-K230 PolarHBondContact OD2-NZ 2.97Å; L227-K230 PolarHBondContact O-N 3.43Å; V228-K230 PolarHBondContact O-N 3.14Å; K230-P232 VanDerWaalsContact O-CD 3.27Å; K230-P232 WeakPolarHBondContact O-CD 3.36Å
231V85.1Confident88.6Confident102 Ų102107.8 Ų107.862%0.61857%0.571SS**SBendtrans-80.8112.8177.3-176.90000108.3V228 N229 T233V228-V231 PolarHBondContact O-N 3.38Å; V228-V231 VanDerWaalsContact O-N 3.14Å; N229-V231 VanDerWaalsContact C-N 3.26Å; V231-T233 PolarHBondContact O-N 3.11Å
232P83.4Confident88.8Confident94 Ų94111.3 Ų111.361%0.6158%0.578SS**  trans-67.4134179.527.4-32.7000110.2K230 I234K230-P232 VanDerWaalsContact O-CD 3.27Å; K230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-I234 HydrophobicContact CB-CD1 4.44Å; P232-I234 HydrophobicContact CB-CG1 4.17Å; P232-I234 HydrophobicContact CG-CD1 4.14Å; P232-I234 HydrophobicContact CG-CG1 4.34Å; P232-I234 PolarHBondContact O-N 2.85Å; P232-I234 VanDerWaalsContact O-N 3.16Å
233T80.8Confident88.8Confident147 Ų147105 Ų10590%0.90256%0.559SS**  trans-80.59417354.20000109.1V231V231-T233 PolarHBondContact O-N 3.11Å
234I86.4Confident89Confident94 Ų94101.1 Ų101.148%0.48255%0.546SS..  trans-100149176-51.7173.8000108.3P232 D238P232-I234 HydrophobicContact CB-CD1 4.44Å; P232-I234 HydrophobicContact CB-CG1 4.17Å; P232-I234 HydrophobicContact CG-CD1 4.14Å; P232-I234 HydrophobicContact CG-CG1 4.34Å; P232-I234 PolarHBondContact O-N 2.85Å; P232-I234 VanDerWaalsContact O-N 3.16Å; I234-D238 HydrophobicContact CG2-CB 3.9Å
235T90.1Very high89.3Confident76 Ų76102.2 Ų102.247%0.46656%0.556SS.*  trans-66.9148.5172.474.20000110.1E237 D238 F239T235-E237 VanDerWaalsContact C-N 3.25Å; T235-E237 PolarHBondContact O-N 2.92Å; T235-D238 PolarHBondContact O-N 2.87Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3Å; T235-D238 PolarHBondContact OG1-OD2 3.31Å; T235-F239 PolarHBondContact O-N 2.95Å; T235-F239 VanDerWaalsContact O-N 3.15Å
236A88.8Confident89.5Confident81 Ų81100.7 Ų100.767%0.66955%0.551SS**Hα-helixtrans-61.8-36.1-179.100000112.1F239 E240A236-F239 PolarHBondContact O-N 3.31Å; A236-E240 WeakPolarHBondContact O-CB 3.25Å; A236-E240 PolarHBondContact O-N 3.3Å
237E91.1Very high89.6Confident149 Ų149100.7 Ų100.770%0.69655%0.55SS**Hα-helixtrans-66-45.1179.9-64.7-178.7-177.200112T235 F239 E240 N241T235-E237 VanDerWaalsContact C-N 3.25Å; T235-E237 PolarHBondContact O-N 2.92Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.17Å; E237-E240 PolarHBondContact O-N 2.94Å; E237-N241 WeakPolarHBondContact O-CB 3.42Å; E237-N241 VanDerWaalsContact O-CG 3.31Å; E237-N241 PolarHBondContact O-N 2.93Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.13Å
238D89.3Confident89.8Confident98 Ų98100.8 Ų100.852%0.52455%0.551SS.*Hα-helixtrans-65.4-38.2177.6-66.4-37.3000111.4I234 T235 M242I234-D238 HydrophobicContact CG2-CB 3.9Å; T235-D238 PolarHBondContact O-N 2.87Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3Å; T235-D238 PolarHBondContact OG1-OD2 3.31Å; D238-M242 WeakPolarHBondContact O-CB 3.28Å; D238-M242 PolarHBondContact O-N 2.94Å
239F89.2Confident90.2Very high104 Ų104100.3 Ų100.346%0.45655%0.545SS..Hα-helixtrans-66.2-45177.4-178.8-99.7000112.2T235 A236 E237 M242 L243T235-F239 PolarHBondContact O-N 2.95Å; T235-F239 VanDerWaalsContact O-N 3.15Å; A236-F239 PolarHBondContact O-N 3.31Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.17Å; F239-M242 HydrophobicContact CD2-CE 3.94Å; F239-M242 HydrophobicContact CE2-CE 4.15Å; F239-M242 PolarHBondContact O-N 3.32Å; F239-L243 HydrophobicContact CE1-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD1 3.73Å; F239-L243 VanDerWaalsContact O-CB 3.26Å; F239-L243 WeakPolarHBondContact O-CB 3.26Å; F239-L243 PolarHBondContact O-N 2.93Å
240E91.3Very high90.4Very high119 Ų11999.9 Ų99.956%0.55654%0.542SS*.Hα-helixtrans-64.1-42.7178.5-176.6170-170.800111.4A236 E237 L243 N244A236-E240 WeakPolarHBondContact O-CB 3.25Å; A236-E240 PolarHBondContact O-N 3.3Å; E237-E240 PolarHBondContact O-N 2.94Å; E240-L243 PolarHBondContact O-N 2.75Å; E240-N244 WeakPolarHBondContact CG-ND2 3.35Å; E240-N244 VanDerWaalsContact O-CB 3.26Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 VanDerWaalsContact O-CG 3.27Å; E240-N244 PolarHBondContact O-N 3.3Å; E240-N244 PolarHBondContact O-ND2 3.29Å
241N92.8Very high90.5Very high109 Ų10998 Ų9858%0.58354%0.539SS*.Hα-helixtrans-61.3-45.6175-74.1-33.1000112.1E237 S245E237-N241 WeakPolarHBondContact O-CB 3.42Å; E237-N241 VanDerWaalsContact O-CG 3.31Å; E237-N241 PolarHBondContact O-N 2.93Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.13Å; N241-S245 WeakPolarHBondContact O-CB 3.4Å; N241-S245 PolarHBondContact O-N 3.4Å
242M90.9Very high91Very high114 Ų11499.3 Ų99.356%0.56254%0.539SS*.Hα-helixtrans-62.1-44.5177.4-176.7-172.869.700111.7D238 F239 N246D238-M242 WeakPolarHBondContact O-CB 3.28Å; D238-M242 PolarHBondContact O-N 2.94Å; F239-M242 HydrophobicContact CD2-CE 3.94Å; F239-M242 HydrophobicContact CE2-CE 4.15Å; F239-M242 PolarHBondContact O-N 3.32Å; M242-N246 WeakPolarHBondContact O-CB 3.38Å; M242-N246 PolarHBondContact O-N 3.1Å
243L90.8Very high91.6Very high70 Ų7099.2 Ų99.237%0.36654%0.537SS..Hα-helixtrans-68.2-44.7-178.5-170.9150000111.3F239 E240 S245 N246 I247F239-L243 HydrophobicContact CE1-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD1 3.73Å; F239-L243 VanDerWaalsContact O-CB 3.26Å; F239-L243 WeakPolarHBondContact O-CB 3.26Å; F239-L243 PolarHBondContact O-N 2.93Å; E240-L243 PolarHBondContact O-N 2.75Å; L243-S245 PolarHBondContact O-N 3.31Å; L243-N246 PolarHBondContact O-N 2.92Å; L243-I247 HydrophobicContact CD2-CD1 3.4Å; L243-I247 HydrophobicContact CD2-CG1 4.15Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.36Å; L243-I247 PolarHBondContact O-N 3.12Å
244N93.5Very high92.2Very high69 Ų6995.8 Ų95.837%0.36952%0.516SS..Hα-helixtrans-62.8-41.5176.4-76-28.3000111.9E240 N246 I247 N248E240-N244 WeakPolarHBondContact CG-ND2 3.35Å; E240-N244 VanDerWaalsContact O-CB 3.26Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 VanDerWaalsContact O-CG 3.27Å; E240-N244 PolarHBondContact O-N 3.3Å; E240-N244 PolarHBondContact O-ND2 3.29Å; N244-N246 PolarHBondContact O-N 2.89Å; N244-I247 PolarHBondContact O-N 3.08Å; N244-N248 WeakPolarHBondContact O-CB 3.49Å; N244-N248 PolarHBondContact O-N 3.08Å; N244-N248 PolarHBondContact O-ND2 2.74Å
245S94.3Very high92.7Very high63 Ų6398.8 Ų98.844%0.44152%0.522SS..Hα-helixtrans-59.7-46.4174.3-169.30000111.3N241 L243 I247 N248 D249N241-S245 WeakPolarHBondContact O-CB 3.4Å; N241-S245 PolarHBondContact O-N 3.4Å; L243-S245 PolarHBondContact O-N 3.31Å; S245-I247 PolarHBondContact O-N 3.25Å; S245-N248 PolarHBondContact O-N 3.17Å; S245-D249 PolarHBondContact O-N 2.93Å
246N93.1Very high92.9Very high95 Ų95100.1 Ų100.151%0.50853%0.526SS..Hα-helixtrans-66.2-39.1-179-163.6-95.4000112.5M242 L243 N244 D249 L250M242-N246 WeakPolarHBondContact O-CB 3.38Å; M242-N246 PolarHBondContact O-N 3.1Å; L243-N246 PolarHBondContact O-N 2.92Å; N244-N246 PolarHBondContact O-N 2.89Å; N246-D249 PolarHBondContact O-N 3.3Å; N246-L250 PolarHBondContact O-N 3.01Å; N246-L250 WeakPolarHBondContact OD1-CD1 3.38Å
247I93.9Very high93.3Very high76 Ų7698.7 Ų98.739%0.3951%0.511SS..Hα-helixtrans-62.1-45.8174-74.7-178.5000110.9L243 N244 S245 D249 L250 L251L243-I247 HydrophobicContact CD2-CD1 3.4Å; L243-I247 HydrophobicContact CD2-CG1 4.15Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.36Å; L243-I247 PolarHBondContact O-N 3.12Å; N244-I247 PolarHBondContact O-N 3.08Å; S245-I247 PolarHBondContact O-N 3.25Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.77Å; I247-L250 PolarHBondContact O-N 3.49Å; I247-L251 HydrophobicContact CG2-CD1 3.54Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 WeakPolarHBondContact O-CD1 3.43Å; I247-L251 WeakPolarHBondContact O-CG 3.12Å; I247-L251 PolarHBondContact O-N 2.83Å
248N93.6Very high93.5Very high102 Ų10296.4 Ų96.455%0.54550%0.503SS..Hα-helixtrans-61-41.6178.2-72.4-26000111.6N244 S245 L251 M252N244-N248 WeakPolarHBondContact O-CB 3.49Å; N244-N248 PolarHBondContact O-N 3.08Å; N244-N248 PolarHBondContact O-ND2 2.74Å; S245-N248 PolarHBondContact O-N 3.17Å; N248-L251 PolarHBondContact O-N 3.49Å; N248-M252 WeakPolarHBondContact O-CB 3.38Å; N248-M252 PolarHBondContact O-N 2.91Å
249D95.9Very high93.8Very high93 Ų9395.8 Ų95.850%0.49750%0.5SS..Hα-helixtrans-64.6-44.8176.9-70.2-21.2000111.9S245 N246 I247 L251 M252 V253S245-D249 PolarHBondContact O-N 2.93Å; N246-D249 PolarHBondContact O-N 3.3Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.77Å; D249-L251 PolarHBondContact O-N 3.19Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-V253 WeakPolarHBondContact O-CG2 3.32Å; D249-V253 PolarHBondContact O-N 3.26Å
250L93.7Very high94.1Very high103 Ų10394.3 Ų94.354%0.53950%0.499SS..Hα-helixtrans-63.2-40.6176-82.2159.7000112.4N246 I247 M252 V253 T254N246-L250 PolarHBondContact O-N 3.01Å; N246-L250 WeakPolarHBondContact OD1-CD1 3.38Å; I247-L250 PolarHBondContact O-N 3.49Å; L250-M252 VanDerWaalsContact C-N 3.33Å; L250-V253 PolarHBondContact O-N 3.38Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.87Å
251L93.7Very high94.2Very high101 Ų10194.8 Ų94.853%0.52950%0.501SS..Hα-helixtrans-63.9-39.4173.9-83.4157.3000111.6I247 N248 D249 T254 Y255I247-L251 HydrophobicContact CG2-CD1 3.54Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 WeakPolarHBondContact O-CD1 3.43Å; I247-L251 WeakPolarHBondContact O-CG 3.12Å; I247-L251 PolarHBondContact O-N 2.83Å; N248-L251 PolarHBondContact O-N 3.49Å; D249-L251 PolarHBondContact O-N 3.19Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.43Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.1Å; L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 PolarHBondContact O-N 3.49Å
252M94.5Very high94.4Very high129 Ų12992.1 Ų92.164%0.63550%0.495SS*.Hα-helixtrans-65.7-43.3177.3-177.8168161.800111.5N248 D249 L250 Y255 L256N248-M252 WeakPolarHBondContact O-CB 3.38Å; N248-M252 PolarHBondContact O-N 2.91Å; D249-M252 PolarHBondContact O-N 3.42Å; L250-M252 VanDerWaalsContact C-N 3.33Å; M252-Y255 PolarHBondContact O-N 3.31Å; M252-L256 WeakPolarHBondContact O-CB 3.39Å; M252-L256 PolarHBondContact O-N 3.19Å
253V95.7Very high94.5Very high91 Ų9192.2 Ų92.255%0.55249%0.494SS*.Hα-helixtrans-64.8-42.5177.2172.40000111.9D249 L250 L256 S257D249-V253 WeakPolarHBondContact O-CG2 3.32Å; D249-V253 PolarHBondContact O-N 3.26Å; L250-V253 PolarHBondContact O-N 3.38Å; V253-L256 PolarHBondContact O-N 3Å; V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 3.02Å; V253-S257 PolarHBondContact O-OG 2.88Å
254T94.2Very high94.7Very high75 Ų7594.2 Ų94.246%0.4650%0.504SS..Hα-helixtrans-65.7-41.5176.847.60000111.6L250 L251 S257 N258L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.87Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.43Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.1Å; T254-S257 PolarHBondContact O-N 3.18Å; T254-N258 PolarHBondContact O-N 3.22Å; T254-N258 PolarHBondContact O-ND2 3.26Å
255Y95.6Very high94.8Very high158 Ų15893.2 Ų93.262%0.6251%0.505SS*.Hα-helixtrans-60.9-46173.8-179.3-105.4000112.2L251 M252 S257 N258 L259L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 PolarHBondContact O-N 3.49Å; M252-Y255 PolarHBondContact O-N 3.31Å; Y255-S257 VanDerWaalsContact C-N 3.32Å; Y255-S257 PolarHBondContact O-N 3.39Å; Y255-N258 PolarHBondContact O-N 2.89Å; Y255-L259 HydrophobicContact CE1-CD1 4.32Å; Y255-L259 PolarHBondContact O-N 3.06Å
256L95.4Very high94.8Very high103 Ų10395.2 Ų95.254%0.53951%0.51SS..Hα-helixtrans-62.2-41.2178.4-149.488.6000111.3M252 V253 N258 L259 T260M252-L256 WeakPolarHBondContact O-CB 3.39Å; M252-L256 PolarHBondContact O-N 3.19Å; V253-L256 PolarHBondContact O-N 3Å; L256-N258 PolarHBondContact O-N 3.36Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.47Å; L256-T260 WeakPolarHBondContact O-CG2 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å
257S96.1Very high94.8Very high52 Ų5295.3 Ų95.336%0.36451%0.511SS..Hα-helixtrans-61.7-43.7177.4-59.40000111.7V253 T254 Y255 L259 T260 Q261V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 3.02Å; V253-S257 PolarHBondContact O-OG 2.88Å; T254-S257 PolarHBondContact O-N 3.18Å; Y255-S257 VanDerWaalsContact C-N 3.32Å; Y255-S257 PolarHBondContact O-N 3.39Å; S257-L259 PolarHBondContact O-N 2.94Å; S257-T260 WeakPolarHBondContact CA-OG1 3.02Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 PolarHBondContact O-OG1 3.4Å; S257-Q261 WeakPolarHBondContact O-CG 3.35Å; S257-Q261 PolarHBondContact O-N 2.92Å
258N95.6Very high94.8Very high100 Ų10097.6 Ų97.654%0.53552%0.52SS..Hα-helixtrans-64.8-39.1175.9-71.4-22.7000112T254 Y255 L256 Q261 A262T254-N258 PolarHBondContact O-N 3.22Å; T254-N258 PolarHBondContact O-ND2 3.26Å; Y255-N258 PolarHBondContact O-N 2.89Å; L256-N258 PolarHBondContact O-N 3.36Å; N258-Q261 PolarHBondContact O-N 2.89Å; N258-A262 WeakPolarHBondContact O-CB 2.94Å; N258-A262 PolarHBondContact O-N 3.13Å
259L95.4Very high94.8Very high85 Ų8599.4 Ų99.445%0.44552%0.523SS..Hα-helixtrans-63-45.2175.1-160.2171.2000110.5Y255 L256 S257 Q261 A262 Q263Y255-L259 HydrophobicContact CE1-CD1 4.32Å; Y255-L259 PolarHBondContact O-N 3.06Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.47Å; S257-L259 PolarHBondContact O-N 2.94Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.3Å; L259-A262 PolarHBondContact O-N 3.34Å; L259-Q263 WeakPolarHBondContact O-CB 3.42Å; L259-Q263 PolarHBondContact O-N 3.42Å
260T95.8Very high94.5Very high73 Ų73100.7 Ų100.745%0.44853%0.529SS..Hα-helixtrans-62.2-39.6176.356.70000112.5L256 S257 Q263 I264L256-T260 WeakPolarHBondContact O-CG2 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å; S257-T260 WeakPolarHBondContact CA-OG1 3.02Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 PolarHBondContact O-OG1 3.4Å; T260-Q263 PolarHBondContact O-N 3.32Å; T260-I264 WeakPolarHBondContact O-CB 3.35Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 2.86Å
261Q94.6Very high94.2Very high129 Ų129101.2 Ų101.260%0.60354%0.536SS*.Hα-helixtrans-63.7-44.1175.1-77.2-179.3-2.700111.6S257 N258 L259 Q263 I264 A265S257-Q261 WeakPolarHBondContact O-CG 3.35Å; S257-Q261 PolarHBondContact O-N 2.92Å; N258-Q261 PolarHBondContact O-N 2.89Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.3Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-I264 PolarHBondContact O-N 2.93Å; Q261-A265 WeakPolarHBondContact O-CB 3.43Å; Q261-A265 PolarHBondContact O-N 3.48Å
262A95.3Very high93.5Very high54 Ų54102.4 Ų102.445%0.44654%0.542SS..Hα-helixtrans-62.7-41.4176.300000111.9N258 L259 A265 L266N258-A262 WeakPolarHBondContact O-CB 2.94Å; N258-A262 PolarHBondContact O-N 3.13Å; L259-A262 PolarHBondContact O-N 3.34Å; A262-A265 PolarHBondContact O-N 3.17Å; A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.39Å; A262-L266 PolarHBondContact O-N 3.06Å
263Q93.4Very high92Very high115 Ų115105.7 Ų105.754%0.53756%0.561SS.*Hα-helixtrans-66.3-39.5177.3-170.564.313.500112.1L259 T260 Q261 L266 N267L259-Q263 WeakPolarHBondContact O-CB 3.42Å; L259-Q263 PolarHBondContact O-N 3.42Å; T260-Q263 PolarHBondContact O-N 3.32Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q263-L266 PolarHBondContact O-N 3.09Å; Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.23Å
264I95.3Very high91.8Very high113 Ų113106.4 Ų106.458%0.57956%0.562SS**Hα-helixtrans-61.7-47.1173.6-70.2164.3000110.1T260 Q261 L266 N267 E268T260-I264 WeakPolarHBondContact O-CB 3.35Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 2.86Å; Q261-I264 PolarHBondContact O-N 2.93Å; I264-L266 PolarHBondContact O-N 3.34Å; I264-N267 PolarHBondContact O-N 3.18Å; I264-E268 WeakPolarHBondContact O-CB 3.38Å; I264-E268 PolarHBondContact O-N 3.36Å
265A94.8Very high91.7Very high48 Ų48108.1 Ų108.140%0.39757%0.567SS.*Hα-helixtrans-62.5-40.3178.900000112.5Q261 A262 K269Q261-A265 WeakPolarHBondContact O-CB 3.43Å; Q261-A265 PolarHBondContact O-N 3.48Å; A262-A265 PolarHBondContact O-N 3.17Å; A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 2.8Å; A265-K269 VanDerWaalsContact O-N 3.13Å
266L94.4Very high91.5Very high105 Ų105105.3 Ų105.355%0.5556%0.564SS.*Hα-helixtrans-64.5-44174.6-75.9171.7000111.7A262 Q263 I264 K269 L270A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.39Å; A262-L266 PolarHBondContact O-N 3.06Å; Q263-L266 PolarHBondContact O-N 3.09Å; I264-L266 PolarHBondContact O-N 3.34Å; L266-K269 PolarHBondContact O-N 2.94Å; L266-L270 PolarHBondContact O-N 3.17Å
267N93.9Very high91.3Very high96 Ų96105.4 Ų105.451%0.51357%0.566SS.*Hα-helixtrans-63.3-43.3178.7-167.918.5000111.3Q263 I264 K269 L270 V271Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.23Å; I264-N267 PolarHBondContact O-N 3.18Å; N267-K269 VanDerWaalsContact C-N 3.29Å; N267-K269 PolarHBondContact O-N 3.4Å; N267-L270 PolarHBondContact O-N 3.17Å; N267-L270 VanDerWaalsContact O-N 3.12Å; N267-V271 WeakPolarHBondContact O-CG2 3.43Å; N267-V271 PolarHBondContact O-N 2.77Å
268E94.3Very high91Very high124 Ų124108.8 Ų108.858%0.57958%0.579SS**Hα-helixtrans-58-42.9175.4-169.9179.6-17400111.5I264 V271 L272I264-E268 WeakPolarHBondContact O-CB 3.38Å; I264-E268 PolarHBondContact O-N 3.36Å; E268-V271 PolarHBondContact O-N 3.24Å; E268-L272 HydrophobicContact CG-CD1 4.2Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.37Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.46Å; E268-L272 VanDerWaalsContact O-N 3.13Å
269K92.4Very high90.7Very high140 Ų140109.3 Ų109.361%0.60958%0.581SS**Hα-helixtrans-67.1-34.3175.8-68.4-66.6178-170.90113.5A265 L266 N267A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 2.8Å; A265-K269 VanDerWaalsContact O-N 3.13Å; L266-K269 PolarHBondContact O-N 2.94Å; N267-K269 VanDerWaalsContact C-N 3.29Å; N267-K269 PolarHBondContact O-N 3.4Å
270L90.3Very high90.3Very high121 Ų121111.1 Ų111.163%0.63459%0.591SS**Hα-helixtrans-71.8-35.7176.9-107.1161.5000112.7L266 N267 L272 L273L266-L270 PolarHBondContact O-N 3.17Å; N267-L270 PolarHBondContact O-N 3.17Å; N267-L270 VanDerWaalsContact O-N 3.12Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L273 PolarHBondContact O-N 3Å
271V87.6Confident89.9Confident113 Ų113114 Ų11469%0.68560%0.602SS**Hα-helixtrans-74.4-25.1176.4172.50000112N267 E268 L273N267-V271 WeakPolarHBondContact O-CG2 3.43Å; N267-V271 PolarHBondContact O-N 2.77Å; E268-V271 PolarHBondContact O-N 3.24Å; V271-L273 VanDerWaalsContact C-N 3.28Å
272L78.6Confident89.5Confident126 Ų126112.8 Ų112.866%0.6660%0.602SS**THydrogen-bonded Turntrans-77.5-9.8175.1-81.8161.4000114E268 L270E268-L272 HydrophobicContact CG-CD1 4.2Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.37Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.46Å; E268-L272 VanDerWaalsContact O-N 3.13Å; L270-L272 VanDerWaalsContact C-N 3.32Å
273L63.7Low89Confident198 Ų198118.1 Ų118.1100%1.03762%0.616SS**  trans-930174.9-81.6156.2000110.8L270 V271L270-L273 PolarHBondContact O-N 3Å; V271-L273 VanDerWaalsContact C-N 3.28Å

Retrieved 273 of 273 residues in 302.8 ms (Link to these results)