A0A3Q0KP56_SCHMA Loading...

SF4 helicase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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
1M95.4Very high92.8Very high3 Ų328.4 Ų28.42%0.01521%0.205CC..  0127.90-177.9176.570.300109.1I133 R137 V147 I149 E176 A177 D178 N179M1-I133 HydrophobicContact CE-CG2 3.98Å; M1-R137 HydrophobicContact CE-CB 4.07Å; M1-R137 HydrophobicContact SD-CB 4.17Å; M1-V147 CarbonylContact C-O 3.58Å; M1-V147 WeakPolarHBondContact CA-O 3.32Å; M1-V147 HydrophobicContact CG-CB 4.44Å; M1-V147 WeakPolarHBondContact CG-O 3.38Å; M1-I149 HydrophobicContact CG-CD1 4.1Å; M1-I149 HydrophobicContact SD-CD1 3.58Å; M1-I149 VanDerWaalsContact SD-CD1 3.58Å; M1-E176 HydrophobicContact CE-CB 3.81Å; M1-A177 HydrophobicContact CE-CB 4.43Å; M1-D178 PolarHBondContact N-OD2 2.81Å; M1-D178 PolarHBondContact O-N 2.84Å; M1-N179 PolarHBondContact O-N 3.32Å
2T97Very high93Very high3 Ų326.8 Ų26.82%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-113.7138.5179.5-62.50000109.9H146 V147 T148 I149 N179 M181T2-H146 WeakPolarHBondContact CB-NE2 3.4Å; T2-H146 PolarHBondContact OG1-CE1 2.79Å; T2-H146 PolarHBondContact OG1-NE2 3.4Å; T2-V147 PolarHBondContact N-O 3.22Å; T2-T148 HydrophobicContact CG2-CG2 4.26Å; T2-T148 CarbonylContact O-C 3.46Å; T2-T148 WeakPolarHBondContact O-CA 3.3Å; T2-I149 PolarHBondContact O-N 3.09Å; T2-N179 WeakPolarHBondContact CA-O 3.16Å; T2-N179 HydrophobicContact CG2-CB 4Å; T2-N179 PolarHBondContact OG1-ND2 2.78Å; T2-M181 HydrophobicContact CG2-CG 4.4Å; T2-M181 HydrophobicContact CG2-SD 3.94Å
3I95.7Very high93.1Very high0 Ų026 Ų260%018%0.184CC..EExtended strand (participates in β ladder)trans-106.5122.7171.8-56.3-62.2000108.5I133 I149 A151 L167 I173 A177 N179 I180 M181I3-I133 HydrophobicContact CD1-CD1 4.27Å; I3-I149 WeakPolarHBondContact CA-O 3.24Å; I3-I149 HydrophobicContact CD1-CB 3.85Å; I3-I149 HydrophobicContact CD1-CD1 4.07Å; I3-I149 HydrophobicContact CD1-CG1 4.33Å; I3-A151 HydrophobicContact CG2-CB 4.29Å; I3-L167 HydrophobicContact CG2-CD2 4.23Å; I3-I173 HydrophobicContact CD1-CG2 4.09Å; I3-I173 HydrophobicContact CG1-CG2 3.79Å; I3-I173 HydrophobicContact CG2-CG2 4.28Å; I3-A177 HydrophobicContact CD1-CB 4.5Å; I3-A177 HydrophobicContact CG1-CB 3.53Å; I3-N179 PolarHBondContact N-O 2.94Å; I3-I180 HydrophobicContact CB-CG1 4.38Å; I3-M181 PolarHBondContact O-N 3.43Å
4L96.4Very high93.3Very high3 Ų326.6 Ų26.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-102.8121167.4178.467.6000108.6K12 F15 M16 I149 V150 A151 M181 I196L4-K12 HydrophobicContact CD2-CB 4.37Å; L4-F15 HydrophobicContact CD1-CD1 4.09Å; L4-F15 HydrophobicContact CD1-CE1 4.11Å; L4-F15 HydrophobicContact CD2-CD1 3.68Å; L4-F15 HydrophobicContact CD2-CE1 4.25Å; L4-M16 HydrophobicContact CD2-CB 4.2Å; L4-M16 HydrophobicContact CD2-SD 4.06Å; L4-I149 PolarHBondContact N-O 2.84Å; L4-V150 HydrophobicContact CD2-CG2 4.37Å; L4-V150 WeakPolarHBondContact O-CA 3.21Å; L4-A151 PolarHBondContact O-N 2.67Å; L4-M181 WeakPolarHBondContact CA-O 3.44Å; L4-M181 HydrophobicContact CD1-CB 4.14Å; L4-I196 HydrophobicContact CD1-CD1 4.06Å
5S94.5Very high93.5Very high0 Ų026.4 Ų26.40%018%0.181CC..EExtended strand (participates in β ladder)trans-130.6167176.4-166.40000112.5A151 M181 F182 L183S5-A151 WeakPolarHBondContact CA-O 3.4Å; S5-A151 VanDerWaalsContact CB-O 3.25Å; S5-A151 WeakPolarHBondContact CB-O 3.46Å; S5-A151 PolarHBondContact OG-O 3.19Å; S5-M181 PolarHBondContact N-O 3.39Å; S5-F182 CarbonylContact O-C 3.54Å; S5-F182 VanDerWaalsContact O-CA 3.32Å; S5-F182 WeakPolarHBondContact O-CA 3.48Å; S5-L183 PolarHBondContact O-N 2.96Å
6G93Very high93.7Very high0 Ų024.9 Ų24.90%017%0.17CC..  trans163.1151.2-170.300000111.8K12 P153G6-K12 WeakPolarHBondContact O-CD 3.47Å; G6-K12 PolarHBondContact O-NZ 2.71Å; G6-P153 WeakPolarHBondContact O-CD 3.09Å
7N89.7Confident94Very high80 Ų8023.4 Ų23.443%0.42816%0.16SC..  trans-56.2154.1179.9-70.8-20.1000112G9 V10 K12N7-G9 PolarHBondContact O-N 3.45Å; N7-V10 WeakPolarHBondContact O-CB 3.39Å; N7-V10 WeakPolarHBondContact O-CG1 3.4Å; N7-V10 PolarHBondContact O-N 2.75Å; N7-K12 PolarHBondContact O-NZ 3.27Å
8T87.6Confident94.1Very high115 Ų11522.9 Ų22.971%0.70616%0.155SC*.THydrogen-bonded Turntrans-56.2138.1176.8-55.70000110.5V10T8-V10 PolarHBondContact O-N 2.98Å
9G87.5Confident94.2Very high77 Ų7725 Ų2579%0.79416%0.16SC*.THydrogen-bonded Turntrans75.6-2.1179.600000115.8N7 G11N7-G9 PolarHBondContact O-N 3.45Å; G9-G11 PolarHBondContact O-N 2.83Å; G9-G11 VanDerWaalsContact O-N 3.15Å
10V91Very high94.4Very high10 Ų1023.8 Ų23.86%0.06115%0.152CC..SBendtrans-69.1-11.5179.379.80000113.4N7 T8 K12 L183 M185 K194N7-V10 WeakPolarHBondContact O-CB 3.39Å; N7-V10 WeakPolarHBondContact O-CG1 3.4Å; N7-V10 PolarHBondContact O-N 2.75Å; T8-V10 PolarHBondContact O-N 2.98Å; V10-K12 HydrophobicContact CG1-CG 3.77Å; V10-L183 HydrophobicContact CG1-CB 4.13Å; V10-L183 HydrophobicContact CG1-CD2 3.81Å; V10-L183 HydrophobicContact CG1-CG 3.84Å; V10-L183 HydrophobicContact CG2-CG 4.07Å; V10-M185 HydrophobicContact CG2-CB 4.37Å; V10-M185 HydrophobicContact CG2-CE 4.38Å; V10-K194 VanDerWaalsContact O-CE 3.31Å; V10-K194 WeakPolarHBondContact O-CE 3.2Å; V10-K194 PolarHBondContact O-NZ 3.16Å
11G93.1Very high94.5Very high21 Ų2122.6 Ų22.622%0.21614%0.144CC..  trans9531.7177.500000114.7G9 T14 F15G9-G11 PolarHBondContact O-N 2.83Å; G9-G11 VanDerWaalsContact O-N 3.15Å; G11-T14 WeakPolarHBondContact O-CB 3.46Å; G11-T14 PolarHBondContact O-N 2.91Å; G11-F15 PolarHBondContact O-N 3.33Å
12K94.9Very high94.6Very high10 Ų1026 Ų264%0.04316%0.162CC..Hα-helixtrans-54.9-51.9177.9-61.2-174.6-62.6-77.30112.3L4 G6 N7 V10 T14 F15 M16 V150 H152 L183L4-K12 HydrophobicContact CD2-CB 4.37Å; G6-K12 WeakPolarHBondContact O-CD 3.47Å; G6-K12 PolarHBondContact O-NZ 2.71Å; N7-K12 PolarHBondContact O-NZ 3.27Å; V10-K12 HydrophobicContact CG1-CG 3.77Å; K12-T14 VanDerWaalsContact C-N 3.3Å; K12-T14 PolarHBondContact O-N 3.19Å; K12-F15 PolarHBondContact O-N 3.06Å; K12-M16 VanDerWaalsContact O-CB 3.27Å; K12-M16 WeakPolarHBondContact O-CB 3.27Å; K12-M16 PolarHBondContact O-N 3.29Å; K12-V150 HydrophobicContact CB-CG1 3.92Å; K12-V150 HydrophobicContact CD-CG1 3.82Å; K12-H152 WeakPolarHBondContact CE-CD2 3.45Å; K12-H152 WeakPolarHBondContact CE-NE2 3.47Å; K12-H152 PolarHBondContact NZ-CD2 3.45Å; K12-H152 PolarHBondContact NZ-NE2 2.85Å; K12-L183 HydrophobicContact CG-CD2 4.38Å
13T94.9Very high94.6Very high16 Ų1627.7 Ų27.710%0.09817%0.171CC..Hα-helixtrans-60.4-39.7178.8-50.60000112M16 C17 M37 D109T13-M16 PolarHBondContact O-N 2.87Å; T13-C17 WeakPolarHBondContact O-CB 3.34Å; T13-C17 PolarHBondContact O-N 2.74Å; T13-C17 PolarHBondContact O-SG 2.91Å; T13-M37 HydrophobicContact CG2-CE 4.46Å; T13-M37 HydrophobicContact CG2-SD 3.49Å; T13-M37 WeakPolarHBondContact CG2-SD 3.33Å; T13-D109 WeakPolarHBondContact CB-OD2 3.43Å; T13-D109 WeakPolarHBondContact CG2-OD2 3.43Å; T13-D109 PolarHBondContact OG1-OD2 3.38Å
14T95.7Very high94.7Very high34 Ų3427.7 Ų27.721%0.20917%0.171CC..Hα-helixtrans-63.3-45.3175.7-51.80000111.9G11 K12 M16 E18 T45 Q49 F214G11-T14 WeakPolarHBondContact O-CB 3.46Å; G11-T14 PolarHBondContact O-N 2.91Å; K12-T14 VanDerWaalsContact C-N 3.3Å; K12-T14 PolarHBondContact O-N 3.19Å; T14-M16 VanDerWaalsContact C-N 3.34Å; T14-E18 PolarHBondContact O-N 2.87Å; T14-T45 HydrophobicContact CG2-CG2 4.4Å; T14-Q49 PolarHBondContact O-NE2 3.39Å; T14-F214 HydrophobicContact CG2-CE2 3.67Å; T14-F214 HydrophobicContact CG2-CZ 4.08Å
15F96.4Very high94.6Very high24 Ų2429.8 Ų29.811%0.10518%0.181CC..Hα-helixtrans-62.5-42.3173.3174.7-94000111.8L4 G11 K12 C17 E18 Y19 M181 L183 I196 L212 F221L4-F15 HydrophobicContact CD1-CD1 4.09Å; L4-F15 HydrophobicContact CD1-CE1 4.11Å; L4-F15 HydrophobicContact CD2-CD1 3.68Å; L4-F15 HydrophobicContact CD2-CE1 4.25Å; G11-F15 PolarHBondContact O-N 3.33Å; K12-F15 PolarHBondContact O-N 3.06Å; F15-C17 PolarHBondContact O-N 3.38Å; F15-E18 PolarHBondContact O-N 2.9Å; F15-Y19 WeakPolarHBondContact O-CB 3.17Å; F15-Y19 PolarHBondContact O-N 2.68Å; F15-M181 HydrophobicContact CE1-CE 4.48Å; F15-M181 HydrophobicContact CZ-CE 4.32Å; F15-L183 HydrophobicContact CB-CD2 4.09Å; F15-I196 HydrophobicContact CD1-CD1 3.95Å; F15-I196 HydrophobicContact CD2-CD1 4.01Å; F15-I196 HydrophobicContact CD2-CG1 4.08Å; F15-I196 HydrophobicContact CE1-CD1 3.65Å; F15-I196 HydrophobicContact CE1-CG1 4.29Å; F15-I196 HydrophobicContact CE2-CD1 3.74Å; F15-I196 HydrophobicContact CE2-CG1 3.53Å; F15-I196 HydrophobicContact CG-CD1 4.11Å; F15-I196 HydrophobicContact CZ-CD1 3.54Å; F15-I196 HydrophobicContact CZ-CG1 3.64Å; F15-L212 HydrophobicContact CD2-CD1 3.84Å; F15-L212 HydrophobicContact CD2-CD2 4.42Å; F15-L212 HydrophobicContact CE2-CD1 4.19Å; F15-L212 HydrophobicContact CE2-CD2 4.18Å; F15-F221 HydrophobicContact CB-CE2 4.04Å; F15-F221 HydrophobicContact CB-CZ 4.47Å; F15-F221 HydrophobicContact CD2-CD2 4.39Å; F15-F221 HydrophobicContact CD2-CE2 4.12Å
16M97.3Very high94.7Very high2 Ų236.2 Ų36.21%0.0121%0.211CC..Hα-helixtrans-65.9-39.2-178.8-169.877-81.300111.8L4 K12 T13 T14 E18 Y19 S20 W32 V107 T148 V150L4-M16 HydrophobicContact CD2-CB 4.2Å; L4-M16 HydrophobicContact CD2-SD 4.06Å; K12-M16 VanDerWaalsContact O-CB 3.27Å; K12-M16 WeakPolarHBondContact O-CB 3.27Å; K12-M16 PolarHBondContact O-N 3.29Å; T13-M16 PolarHBondContact O-N 2.87Å; T14-M16 VanDerWaalsContact C-N 3.34Å; M16-E18 VanDerWaalsContact C-N 3.31Å; M16-E18 PolarHBondContact O-N 3.18Å; M16-Y19 HydrophobicContact CE-CD1 3Å; M16-Y19 HydrophobicContact CE-CE1 3.72Å; M16-Y19 HydrophobicContact CE-CG 3.5Å; M16-Y19 PolarHBondContact O-N 3.01Å; M16-S20 VanDerWaalsContact O-CB 3.24Å; M16-S20 WeakPolarHBondContact O-CB 3.37Å; M16-S20 PolarHBondContact O-N 3.31Å; M16-S20 PolarHBondContact O-OG 2.66Å; M16-S20 VanDerWaalsContact O-OG 3.14Å; M16-W32 HydrophobicContact CB-CH2 3.75Å; M16-W32 HydrophobicContact CB-CZ2 4.3Å; M16-W32 HydrophobicContact CG-CH2 3.42Å; M16-W32 VanDerWaalsContact CG-CH2 3.42Å; M16-W32 HydrophobicContact CG-CZ2 3.81Å; M16-W32 HydrophobicContact CG-CZ3 4.26Å; M16-W32 WeakPolarHBondContact O-CZ2 3.4Å; M16-V107 HydrophobicContact CG-CG1 3.49Å; M16-V107 VanDerWaalsContact CG-CG1 3.49Å; M16-V107 HydrophobicContact CG-CG2 4.43Å; M16-V107 HydrophobicContact SD-CG1 3.99Å; M16-V107 HydrophobicContact SD-CG2 4.5Å; M16-T148 HydrophobicContact CE-CG2 3.85Å; M16-T148 HydrophobicContact SD-CG2 3.45Å; M16-T148 WeakPolarHBondContact SD-CG2 3.21Å; M16-V150 HydrophobicContact CB-CG2 4.38Å; M16-V150 HydrophobicContact CG-CG2 4.01Å; M16-V150 HydrophobicContact SD-CG2 4.06Å
17C97.7Very high94.8Very high0 Ų038.5 Ų38.50%024%0.235CC..Hα-helixtrans-54.1-49.9171.2-710000110.2T13 F15 S20 L21 T45 L46 Q49T13-C17 WeakPolarHBondContact O-CB 3.34Å; T13-C17 PolarHBondContact O-N 2.74Å; T13-C17 PolarHBondContact O-SG 2.91Å; F15-C17 PolarHBondContact O-N 3.38Å; C17-S20 PolarHBondContact O-N 2.89Å; C17-S20 PolarHBondContact O-OG 3.25Å; C17-L21 WeakPolarHBondContact O-CB 3.36Å; C17-L21 PolarHBondContact O-N 3.4Å; C17-T45 HydrophobicContact CB-CG2 4.1Å; C17-L46 HydrophobicContact CB-CD2 3.75Å; C17-L46 HydrophobicContact CB-CG 4.13Å; C17-L46 WeakPolarHBondContact O-CD2 3.27Å; C17-Q49 VanDerWaalsContact C-OE1 3.32Å
18E95.9Very high95.2Very high14 Ų1436.5 Ų36.57%0.06523%0.225CC..Hα-helixtrans-71.8-40.9-176.4-164.2150.4-175.900113.3T14 F15 M16 S20 L21 D22 Q49 S220 F221 R222T14-E18 PolarHBondContact O-N 2.87Å; F15-E18 PolarHBondContact O-N 2.9Å; M16-E18 VanDerWaalsContact C-N 3.31Å; M16-E18 PolarHBondContact O-N 3.18Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 2.7Å; E18-L21 PolarHBondContact O-N 3Å; E18-D22 WeakPolarHBondContact O-CB 3.29Å; E18-D22 PolarHBondContact O-N 3.32Å; E18-Q49 VanDerWaalsContact N-OE1 3.08Å; E18-S220 PolarHBondContact OE1-OG 3.31Å; E18-S220 WeakPolarHBondContact OE2-CA 3.29Å; E18-F221 HydrophobicContact CB-CD2 4.44Å; E18-F221 PolarHBondContact OE1-N 3.2Å; E18-F221 WeakPolarHBondContact OE2-CD2 3.28Å; E18-F221 PolarHBondContact OE2-N 3.27Å; E18-R222 WeakPolarHBondContact OE1-CG 2.83Å; E18-R222 PolarHBondContact OE1-N 3.14Å
19Y96.5Very high95.7Very high63 Ų6332 Ų3225%0.24720%0.198CC..Hα-helixtrans-58-47.2172.2172.6-82000111.3F15 M16 L21 D22 L23 H105F15-Y19 WeakPolarHBondContact O-CB 3.17Å; F15-Y19 PolarHBondContact O-N 2.68Å; M16-Y19 HydrophobicContact CE-CD1 3Å; M16-Y19 HydrophobicContact CE-CE1 3.72Å; M16-Y19 HydrophobicContact CE-CG 3.5Å; M16-Y19 PolarHBondContact O-N 3.01Å; Y19-L21 VanDerWaalsContact C-N 3.32Å; Y19-L21 PolarHBondContact O-N 3.24Å; Y19-D22 PolarHBondContact O-N 3.45Å; Y19-L23 HydrophobicContact CD1-CD1 3.99Å; Y19-L23 HydrophobicContact CE1-CD1 3.37Å; Y19-L23 HydrophobicContact CE1-CG 4.34Å; Y19-L23 PolarHBondContact O-N 2.83Å; Y19-H105 AromaticContact CE1-CE1 3.84Å; Y19-H105 AromaticContact CE1-NE2 3.89Å
20S97.9Very high96.2Very high0 Ų028.4 Ų28.40%016%0.16CC..Hα-helixtrans-68.3-34.9-179.274.30000112.1M16 C17 E18 A24 W32M16-S20 VanDerWaalsContact O-CB 3.24Å; M16-S20 WeakPolarHBondContact O-CB 3.37Å; M16-S20 PolarHBondContact O-N 3.31Å; M16-S20 PolarHBondContact O-OG 2.66Å; M16-S20 VanDerWaalsContact O-OG 3.14Å; C17-S20 PolarHBondContact O-N 2.89Å; C17-S20 PolarHBondContact O-OG 3.25Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 2.7Å; S20-A24 VanDerWaalsContact O-CB 3.3Å; S20-A24 WeakPolarHBondContact O-CB 3.29Å; S20-A24 PolarHBondContact O-N 3.43Å; S20-W32 VanDerWaalsContact OG-CZ2 3.29Å; S20-W32 WeakPolarHBondContact OG-CZ2 3.27Å; S20-W32 PolarHBondContact OG-NE1 2.94Å
21L97.5Very high96.6Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-66.5-41.8176.318060.7000111C17 E18 Y19 L23 A24 E25 L46 Q49 F50 F70 V74 I76C17-L21 WeakPolarHBondContact O-CB 3.36Å; C17-L21 PolarHBondContact O-N 3.4Å; E18-L21 PolarHBondContact O-N 3Å; Y19-L21 VanDerWaalsContact C-N 3.32Å; Y19-L21 PolarHBondContact O-N 3.24Å; L21-L23 PolarHBondContact O-N 3.38Å; L21-A24 PolarHBondContact O-N 2.83Å; L21-E25 HydrophobicContact CD1-CG 4.09Å; L21-E25 HydrophobicContact CG-CG 4.38Å; L21-E25 WeakPolarHBondContact O-CB 3.43Å; L21-E25 VanDerWaalsContact O-CG 3.3Å; L21-E25 WeakPolarHBondContact O-CG 3.14Å; L21-E25 PolarHBondContact O-N 3.39Å; L21-L46 HydrophobicContact CB-CD2 4.2Å; L21-Q49 HydrophobicContact CD2-CB 3.96Å; L21-F50 HydrophobicContact CD1-CB 4.36Å; L21-F50 HydrophobicContact CD1-CD2 4.1Å; L21-F50 HydrophobicContact CD2-CB 3.9Å; L21-F70 HydrophobicContact CD1-CD2 4.46Å; L21-F70 HydrophobicContact CD1-CE2 3.75Å; L21-V74 HydrophobicContact CD1-CG1 3.77Å; L21-V74 HydrophobicContact CD1-CG2 4.25Å; L21-I76 HydrophobicContact CD1-CD1 4.36Å
22D95.7Very high96.8Very high73 Ų7327 Ų2739%0.3915%0.147SC..Hα-helixtrans-61.6-43.1177.9-165.873.5000112.2E18 Y19 Q26 R222E18-D22 WeakPolarHBondContact O-CB 3.29Å; E18-D22 PolarHBondContact O-N 3.32Å; Y19-D22 PolarHBondContact O-N 3.45Å; D22-Q26 WeakPolarHBondContact O-CG 3.36Å; D22-Q26 PolarHBondContact O-N 2.89Å; D22-Q26 PolarHBondContact O-NE2 2.88Å; D22-Q26 PolarHBondContact OD2-NE2 3.47Å; D22-R222 IonicContact OD1-NH2 3.1Å; D22-R222 PolarHBondContact OD1-NH2 3.02Å
23L97.1Very high96.7Very high40 Ų4026.5 Ų26.521%0.20915%0.145CC..Hα-helixtrans-65-45.4173.2-68.1177.4000112Y19 L21 E25 Q26 G27 V28Y19-L23 HydrophobicContact CD1-CD1 3.99Å; Y19-L23 HydrophobicContact CE1-CD1 3.37Å; Y19-L23 HydrophobicContact CE1-CG 4.34Å; Y19-L23 PolarHBondContact O-N 2.83Å; L21-L23 PolarHBondContact O-N 3.38Å; L23-E25 PolarHBondContact O-N 3.27Å; L23-Q26 CarbonylContact O-C 3.52Å; L23-Q26 WeakPolarHBondContact O-CA 3.34Å; L23-Q26 WeakPolarHBondContact O-CB 3.4Å; L23-Q26 PolarHBondContact O-N 3.23Å; L23-Q26 VanDerWaalsContact O-N 3.09Å; L23-G27 PolarHBondContact O-N 3.44Å; L23-V28 HydrophobicContact CB-CB 4.18Å; L23-V28 HydrophobicContact CB-CG2 4.45Å; L23-V28 WeakPolarHBondContact O-CB 3.36Å; L23-V28 WeakPolarHBondContact O-CG2 3.27Å; L23-V28 PolarHBondContact O-N 3.42Å; L23-V28 VanDerWaalsContact O-N 3.1Å
24A97.9Very high96.6Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-65.9-38-178.400000112.4S20 L21 Q26 G27 V28 V74 P75 I76S20-A24 VanDerWaalsContact O-CB 3.3Å; S20-A24 WeakPolarHBondContact O-CB 3.29Å; S20-A24 PolarHBondContact O-N 3.43Å; L21-A24 PolarHBondContact O-N 2.83Å; A24-Q26 PolarHBondContact O-N 2.7Å; A24-G27 WeakPolarHBondContact O-CA 3.44Å; A24-G27 PolarHBondContact O-N 2.94Å; A24-V28 WeakPolarHBondContact CA-O 3.48Å; A24-V74 HydrophobicContact CB-CG1 3.66Å; A24-P75 HydrophobicContact CB-CG 4.34Å; A24-P75 WeakPolarHBondContact O-CD 3.47Å; A24-I76 HydrophobicContact CB-CD1 3.81Å; A24-I76 HydrophobicContact CB-CG1 3.61Å
25E94.8Very high96.2Very high47 Ų4726.1 Ų26.122%0.2214%0.142CC..Hα-helixtrans-65.8-22.4173.7-74.5-179.215400112.9L21 L23 F50 V74 R222 R226L21-E25 HydrophobicContact CD1-CG 4.09Å; L21-E25 HydrophobicContact CG-CG 4.38Å; L21-E25 WeakPolarHBondContact O-CB 3.43Å; L21-E25 VanDerWaalsContact O-CG 3.3Å; L21-E25 WeakPolarHBondContact O-CG 3.14Å; L21-E25 PolarHBondContact O-N 3.39Å; L23-E25 PolarHBondContact O-N 3.27Å; E25-F50 HydrophobicContact CG-CE2 4.49Å; E25-F50 WeakPolarHBondContact OE1-CD2 3.35Å; E25-F50 WeakPolarHBondContact OE1-CE2 3.21Å; E25-V74 HydrophobicContact CG-CG2 4.24Å; E25-R222 IonicContact OE1-NH1 3.45Å; E25-R222 PolarHBondContact OE1-NH1 2.91Å; E25-R222 VanDerWaalsContact OE1-NH1 3.1Å; E25-R222 IonicContact OE2-CZ 2.87Å; E25-R222 IonicContact OE2-NH1 3.82Å; E25-R222 PolarHBondContact OE2-NH1 3.44Å; E25-R222 IonicContact OE2-NH2 2.71Å; E25-R222 PolarHBondContact OE2-NH2 3.37Å; E25-R226 IonicContact OE1-CZ 2.75Å; E25-R226 IonicContact OE1-NE 2.87Å; E25-R226 PolarHBondContact OE1-NE 3.41Å; E25-R226 IonicContact OE1-NH2 3.42Å; E25-R226 PolarHBondContact OE1-NH2 2.94Å; E25-R226 IonicContact OE2-CZ 3.14Å; E25-R226 IonicContact OE2-NH2 3.29Å; E25-R226 PolarHBondContact OE2-NH2 3.29Å
26Q95.8Very high95.6Very high135 Ų13528.3 Ų28.363%0.63115%0.152SC*.THydrogen-bonded Turntrans-84.56.3169.9-68.8172.169.700112.9D22 L23 A24D22-Q26 WeakPolarHBondContact O-CG 3.36Å; D22-Q26 PolarHBondContact O-N 2.89Å; D22-Q26 PolarHBondContact O-NE2 2.88Å; D22-Q26 PolarHBondContact OD2-NE2 3.47Å; L23-Q26 CarbonylContact O-C 3.52Å; L23-Q26 WeakPolarHBondContact O-CA 3.34Å; L23-Q26 WeakPolarHBondContact O-CB 3.4Å; L23-Q26 PolarHBondContact O-N 3.23Å; L23-Q26 VanDerWaalsContact O-N 3.09Å; A24-Q26 PolarHBondContact O-N 2.7Å
27G96Very high95.1Very high48 Ų4830.7 Ų30.750%0.49516%0.164SC..THydrogen-bonded Turntrans94.53.5175.400000114.9L23 A24 P29L23-G27 PolarHBondContact O-N 3.44Å; A24-G27 WeakPolarHBondContact O-CA 3.44Å; A24-G27 PolarHBondContact O-N 2.94Å; G27-P29 WeakPolarHBondContact O-CD 3.41Å
28V98.1Very high94.7Very high38 Ų3832.9 Ų32.923%0.2318%0.178CC..  trans-80.1106.9-179.4-175.90000110.4L23 A24 T30 E104 H105L23-V28 HydrophobicContact CB-CB 4.18Å; L23-V28 HydrophobicContact CB-CG2 4.45Å; L23-V28 WeakPolarHBondContact O-CB 3.36Å; L23-V28 WeakPolarHBondContact O-CG2 3.27Å; L23-V28 PolarHBondContact O-N 3.42Å; L23-V28 VanDerWaalsContact O-N 3.1Å; A24-V28 WeakPolarHBondContact CA-O 3.48Å; V28-T30 PolarHBondContact O-N 2.96Å; V28-T30 PolarHBondContact O-OG1 2.84Å; V28-T30 VanDerWaalsContact O-OG1 3.09Å; V28-E104 HydrophobicContact CG1-CB 3.96Å; V28-H105 HydrophobicContact CG1-CB 3.86Å
29P98.2Very high94.5Very high21 Ų2133.5 Ų33.514%0.13618%0.182CC..  trans-66.2124.1-176.3-18.535000110.2G27 P75 Y77 G102 E104 H105G27-P29 WeakPolarHBondContact O-CD 3.41Å; P29-P75 CarbonylContact C-O 3.55Å; P29-P75 WeakPolarHBondContact CA-O 3.38Å; P29-P75 HydrophobicContact CB-CB 4.13Å; P29-P75 HydrophobicContact CG-CB 4.46Å; P29-Y77 HydrophobicContact CB-CE2 4.27Å; P29-G102 WeakPolarHBondContact CG-O 3.41Å; P29-E104 PolarHBondContact O-N 2.93Å; P29-H105 PolarHBondContact O-N 3.39Å; P29-H105 VanDerWaalsContact O-N 3.09Å
30T98.6Very high94.3Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-120.3131.6-168.4-64.70000112V28 P75 I76 Y77 H105 V107V28-T30 PolarHBondContact O-N 2.96Å; V28-T30 PolarHBondContact O-OG1 2.84Å; V28-T30 VanDerWaalsContact O-OG1 3.09Å; T30-P75 PolarHBondContact N-O 3.47Å; T30-I76 CarbonylContact O-C 3.53Å; T30-I76 WeakPolarHBondContact O-CA 3.45Å; T30-Y77 PolarHBondContact O-N 2.9Å; T30-H105 CarbonylContact C-O 3.5Å; T30-H105 WeakPolarHBondContact CA-O 3.38Å; T30-H105 HydrophobicContact CG2-CB 4.38Å; T30-H105 VanDerWaalsContact CG2-ND1 3.32Å; T30-H105 WeakPolarHBondContact CG2-ND1 3.36Å; T30-H105 PolarHBondContact OG1-ND1 3.25Å; T30-V107 HydrophobicContact CG2-CG2 4.23Å
31L98.2Very high94Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-106.8128.1173.9-179.863000111.5Y77 M79 V103 H105 I106 V107 V241L31-Y77 CarbonylContact C-O 3.54Å; L31-Y77 WeakPolarHBondContact CA-O 3.34Å; L31-M79 HydrophobicContact CD1-CG 3.95Å; L31-M79 HydrophobicContact CD2-CE 3.48Å; L31-M79 VanDerWaalsContact CD2-CE 3.48Å; L31-M79 HydrophobicContact CD2-CG 4.2Å; L31-M79 HydrophobicContact CG-CE 3.81Å; L31-M79 HydrophobicContact CG-CG 4.04Å; L31-V103 HydrophobicContact CB-CB 4.39Å; L31-V103 HydrophobicContact CB-CG1 3.62Å; L31-V103 HydrophobicContact CB-CG2 3.88Å; L31-H105 PolarHBondContact N-O 2.87Å; L31-I106 HydrophobicContact CB-CG1 4.39Å; L31-I106 CarbonylContact O-C 3.49Å; L31-I106 WeakPolarHBondContact O-CA 3.25Å; L31-V107 PolarHBondContact O-N 3.38Å; L31-V241 HydrophobicContact CD1-CB 3.95Å; L31-V241 HydrophobicContact CD1-CG1 4.47Å; L31-V241 HydrophobicContact CD1-CG2 4.1Å
32W97.2Very high93.8Very high1 Ų144.6 Ų44.60%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-102.3120.6176.7-91.484.6000112.5M16 S20 V42 Y77 F78 M79 V107 D109M16-W32 HydrophobicContact CB-CH2 3.75Å; M16-W32 HydrophobicContact CB-CZ2 4.3Å; M16-W32 HydrophobicContact CG-CH2 3.42Å; M16-W32 VanDerWaalsContact CG-CH2 3.42Å; M16-W32 HydrophobicContact CG-CZ2 3.81Å; M16-W32 HydrophobicContact CG-CZ3 4.26Å; M16-W32 WeakPolarHBondContact O-CZ2 3.4Å; S20-W32 VanDerWaalsContact OG-CZ2 3.29Å; S20-W32 WeakPolarHBondContact OG-CZ2 3.27Å; S20-W32 PolarHBondContact OG-NE1 2.94Å; W32-V42 HydrophobicContact CD2-CG1 4.3Å; W32-V42 HydrophobicContact CE3-CG1 4.08Å; W32-V42 HydrophobicContact CZ3-CG1 4.29Å; W32-Y77 PolarHBondContact N-O 3.47Å; W32-F78 HydrophobicContact CB-CD1 3.59Å; W32-F78 HydrophobicContact CB-CE1 4.02Å; W32-F78 HydrophobicContact CB-CG 4.5Å; W32-F78 HydrophobicContact CG-CD1 4.31Å; W32-F78 HydrophobicContact CG-CE1 4.25Å; W32-F78 WeakPolarHBondContact O-CA 3.32Å; W32-M79 PolarHBondContact O-N 2.96Å; W32-V107 HydrophobicContact CD2-CB 3.86Å; W32-V107 HydrophobicContact CD2-CG1 3.92Å; W32-V107 HydrophobicContact CD2-CG2 4.31Å; W32-V107 HydrophobicContact CE3-CB 4.08Å; W32-V107 HydrophobicContact CE3-CG1 3.67Å; W32-V107 HydrophobicContact CG-CB 4.27Å; W32-V107 HydrophobicContact CH2-CG1 3.74Å; W32-V107 HydrophobicContact CZ2-CB 4.32Å; W32-V107 HydrophobicContact CZ2-CG1 3.92Å; W32-V107 HydrophobicContact CZ2-CG2 4.17Å; W32-V107 HydrophobicContact CZ3-CB 4.44Å; W32-V107 HydrophobicContact CZ3-CG1 3.59Å; W32-D109 HydrophobicContact CZ3-CB 3.98Å
33G94Very high93.8Very high0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-103.796.9162.400000110.5F35 V107 D109G33-F35 WeakPolarHBondContact O-CD2 3.38Å; G33-F35 VanDerWaalsContact O-CE2 3.27Å; G33-F35 WeakPolarHBondContact O-CE2 3.42Å; G33-V107 PolarHBondContact N-O 3.27Å; G33-D109 PolarHBondContact O-N 3.4Å
34S91.6Very high93.7Very high16 Ų1644.7 Ų44.711%0.11222%0.223CC..EExtended strand (participates in β ladder)trans-102105.4178.1-178.30000110.9M37 V42 D109S34-M37 PolarHBondContact OG-O 3.36Å; S34-V42 WeakPolarHBondContact OG-CG2 3.05Å; S34-D109 CarbonylContact C-O 3.58Å; S34-D109 WeakPolarHBondContact CA-O 3.45Å
35F88.1Confident93.5Very high27 Ų2745.4 Ų45.412%0.11823%0.227CC..SBendtrans-102.8-21-175.9-53.6-77.3000113G33 M79 L81 Q85 V90 I108 D109 F113 L114G33-F35 WeakPolarHBondContact O-CD2 3.38Å; G33-F35 VanDerWaalsContact O-CE2 3.27Å; G33-F35 WeakPolarHBondContact O-CE2 3.42Å; F35-M79 HydrophobicContact CZ-SD 4.1Å; F35-L81 HydrophobicContact CE1-CB 4.05Å; F35-L81 HydrophobicContact CE1-CD1 4.07Å; F35-L81 HydrophobicContact CZ-CD1 4.43Å; F35-Q85 HydrophobicContact CD1-CG 4.38Å; F35-Q85 HydrophobicContact CE1-CG 4.24Å; F35-V90 HydrophobicContact CE1-CG2 4.02Å; F35-V90 HydrophobicContact CZ-CG1 4.15Å; F35-V90 HydrophobicContact CZ-CG2 3.84Å; F35-I108 HydrophobicContact CD2-CG2 4.44Å; F35-I108 HydrophobicContact CE2-CD1 4.26Å; F35-I108 HydrophobicContact CE2-CG2 4.13Å; F35-D109 PolarHBondContact N-O 3.31Å; F35-F113 HydrophobicContact CB-CB 3.93Å; F35-L114 HydrophobicContact CB-CD2 4.42Å; F35-L114 HydrophobicContact CB-CG 4.48Å; F35-L114 HydrophobicContact CD1-CD2 3.5Å; F35-L114 VanDerWaalsContact CD1-CD2 3.5Å; F35-L114 HydrophobicContact CD1-CG 4.31Å; F35-L114 HydrophobicContact CD2-CD1 3.9Å; F35-L114 HydrophobicContact CD2-CD2 3.67Å; F35-L114 HydrophobicContact CD2-CG 3.63Å; F35-L114 HydrophobicContact CE1-CD2 3.54Å; F35-L114 HydrophobicContact CE2-CD1 3.75Å; F35-L114 HydrophobicContact CE2-CD2 3.72Å; F35-L114 HydrophobicContact CE2-CG 3.89Å; F35-L114 HydrophobicContact CG-CD2 3.57Å; F35-L114 HydrophobicContact CG-CG 3.87Å; F35-L114 HydrophobicContact CZ-CD1 4.32Å; F35-L114 HydrophobicContact CZ-CD2 3.66Å; F35-L114 HydrophobicContact CZ-CG 4.34Å
36E84Confident93.6Very high70 Ų7043.2 Ų43.233%0.32722%0.216SC..SBendtrans-87.8-52.9172.8178.9164.1-167.900111.5D109 N110 F113 H152E36-D109 PolarHBondContact N-O 3.32Å; E36-N110 PolarHBondContact OE2-ND2 3.42Å; E36-F113 HydrophobicContact CB-CD2 3.44Å; E36-F113 VanDerWaalsContact CB-CD2 3.44Å; E36-F113 HydrophobicContact CB-CE2 3.46Å; E36-F113 VanDerWaalsContact CB-CE2 3.46Å; E36-F113 HydrophobicContact CB-CG 4.15Å; E36-F113 HydrophobicContact CB-CZ 4.13Å; E36-F113 HydrophobicContact CG-CD2 3.83Å; E36-F113 HydrophobicContact CG-CE2 3.25Å; E36-F113 HydrophobicContact CG-CZ 3.69Å; E36-H152 IonicContact OE2-CE1 3.46Å; E36-H152 IonicContact OE2-NE2 3.97Å
37M86.8Confident93.6Very high51 Ų5137.3 Ų37.325%0.25119%0.189SC..SBendtrans-94.8136.4-175.3-73.4-171.455.300111.3T13 S34 L39 K41 V42T13-M37 HydrophobicContact CG2-CE 4.46Å; T13-M37 HydrophobicContact CG2-SD 3.49Å; T13-M37 WeakPolarHBondContact CG2-SD 3.33Å; S34-M37 PolarHBondContact OG-O 3.36Å; M37-L39 PolarHBondContact O-N 3.43Å; M37-K41 HydrophobicContact CE-CB 3.62Å; M37-K41 HydrophobicContact CE-CD 4.15Å; M37-V42 HydrophobicContact CB-CG2 3.99Å
38P89Confident93.5Very high47 Ų4735.5 Ų35.531%0.30517%0.168SC..  trans-59.2140.2172.4-23.232.2000111.5R40 K41 V42P38-R40 HydrophobicContact CB-CG 4.22Å; P38-R40 VanDerWaalsContact CB-NH1 3.32Å; P38-R40 PolarHBondContact O-N 2.78Å; P38-R40 VanDerWaalsContact O-N 3.1Å; P38-K41 WeakPolarHBondContact O-CB 3.27Å; P38-K41 PolarHBondContact O-N 2.95Å; P38-V42 PolarHBondContact O-N 2.89Å
39L91.2Very high93.4Very high27 Ų2733.7 Ų33.714%0.14116%0.157CC..Hα-helixtrans-47.9-44.4-178.5177.657.2000113.2M37 K41 V42 C43 F78 P238 I240M37-L39 PolarHBondContact O-N 3.43Å; L39-K41 PolarHBondContact O-N 3.5Å; L39-K41 VanDerWaalsContact O-N 3.13Å; L39-V42 PolarHBondContact O-N 3.31Å; L39-V42 VanDerWaalsContact O-N 3.08Å; L39-C43 VanDerWaalsContact CD1-SG 3.58Å; L39-C43 PolarHBondContact O-N 3.14Å; L39-C43 PolarHBondContact O-SG 3.5Å; L39-C43 VanDerWaalsContact O-SG 3.39Å; L39-F78 HydrophobicContact CD1-CB 3.64Å; L39-F78 HydrophobicContact CD1-CD1 3.24Å; L39-F78 HydrophobicContact CD1-CD2 4.27Å; L39-F78 HydrophobicContact CD1-CE1 3.9Å; L39-F78 HydrophobicContact CD1-CG 3.46Å; L39-F78 VanDerWaalsContact CD1-CG 3.46Å; L39-F78 HydrophobicContact CD2-CB 4.23Å; L39-P238 HydrophobicContact CD2-CB 4.47Å; L39-P238 HydrophobicContact CD2-CG 4.01Å; L39-I240 HydrophobicContact CD2-CD1 3.57Å
40R91.7Very high93.3Very high186 Ų18632.8 Ų32.870%0.70215%0.151SC*.Hα-helixtrans-53.9-34.7177.169.9-179.5-177.2-80.91.3114P38 K44P38-R40 HydrophobicContact CB-CG 4.22Å; P38-R40 VanDerWaalsContact CB-NH1 3.32Å; P38-R40 PolarHBondContact O-N 2.78Å; P38-R40 VanDerWaalsContact O-N 3.1Å; R40-K44 WeakPolarHBondContact O-CB 3.25Å; R40-K44 PolarHBondContact O-N 3Å
41K92.1Very high93Very high109 Ų10932.8 Ų32.847%0.47415%0.151SC..Hα-helixtrans-76.9-38.8179.5-68.5-167179.6179.20111.4M37 P38 L39 K44 T45M37-K41 HydrophobicContact CE-CB 3.62Å; M37-K41 HydrophobicContact CE-CD 4.15Å; P38-K41 WeakPolarHBondContact O-CB 3.27Å; P38-K41 PolarHBondContact O-N 2.95Å; L39-K41 PolarHBondContact O-N 3.5Å; L39-K41 VanDerWaalsContact O-N 3.13Å; K41-K44 PolarHBondContact O-N 2.95Å; K41-T45 PolarHBondContact O-N 3.4Å; K41-T45 PolarHBondContact O-OG1 2.81Å
42V94.7Very high92.7Very high0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-62.9-50.6174.2179.50000109.6W32 S34 M37 P38 L39 K44 T45 L46 F78W32-V42 HydrophobicContact CD2-CG1 4.3Å; W32-V42 HydrophobicContact CE3-CG1 4.08Å; W32-V42 HydrophobicContact CZ3-CG1 4.29Å; S34-V42 WeakPolarHBondContact OG-CG2 3.05Å; M37-V42 HydrophobicContact CB-CG2 3.99Å; P38-V42 PolarHBondContact O-N 2.89Å; L39-V42 PolarHBondContact O-N 3.31Å; L39-V42 VanDerWaalsContact O-N 3.08Å; V42-K44 PolarHBondContact O-N 3.02Å; V42-T45 WeakPolarHBondContact O-CB 3.37Å; V42-T45 PolarHBondContact O-N 2.89Å; V42-T45 VanDerWaalsContact O-N 3.08Å; V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 HydrophobicContact CG1-CG 4.5Å; V42-L46 PolarHBondContact O-N 3.31Å; V42-F78 HydrophobicContact CG1-CE1 4.19Å
43C95Very high92.3Very high9 Ų935 Ų356%0.06116%0.162CC..Hα-helixtrans-56.8-44.9176-68.40000112.8L39 T45 L46 I47 F237L39-C43 VanDerWaalsContact CD1-SG 3.58Å; L39-C43 PolarHBondContact O-N 3.14Å; L39-C43 PolarHBondContact O-SG 3.5Å; L39-C43 VanDerWaalsContact O-SG 3.39Å; C43-T45 VanDerWaalsContact C-N 3.3Å; C43-T45 PolarHBondContact O-N 3.5Å; C43-L46 PolarHBondContact O-N 2.92Å; C43-I47 WeakPolarHBondContact O-CB 3.4Å; C43-I47 VanDerWaalsContact O-CG1 3.3Å; C43-I47 WeakPolarHBondContact O-CG1 3.36Å; C43-I47 PolarHBondContact O-N 3.4Å; C43-F237 HydrophobicContact CB-CE1 3.74Å; C43-F237 HydrophobicContact CB-CZ 3.7Å
44K93.9Very high92.1Very high107 Ų10738.5 Ų38.547%0.46518%0.184SC..Hα-helixtrans-57.5-45.1175.6-178.3-179.6177.1-179.20111.4R40 K41 V42 Q48R40-K44 WeakPolarHBondContact O-CB 3.25Å; R40-K44 PolarHBondContact O-N 3Å; K41-K44 PolarHBondContact O-N 2.95Å; V42-K44 PolarHBondContact O-N 3.02Å; K44-Q48 WeakPolarHBondContact O-CB 3.5Å; K44-Q48 PolarHBondContact O-N 3.1Å
45T95.1Very high92Very high15 Ų1538.4 Ų38.49%0.09218%0.183CC..Hα-helixtrans-64.8-47.4-179.5-53.70000111.1T14 C17 K41 V42 C43 I47 Q48 Q49T14-T45 HydrophobicContact CG2-CG2 4.4Å; C17-T45 HydrophobicContact CB-CG2 4.1Å; K41-T45 PolarHBondContact O-N 3.4Å; K41-T45 PolarHBondContact O-OG1 2.81Å; V42-T45 WeakPolarHBondContact O-CB 3.37Å; V42-T45 PolarHBondContact O-N 2.89Å; V42-T45 VanDerWaalsContact O-N 3.08Å; C43-T45 VanDerWaalsContact C-N 3.3Å; C43-T45 PolarHBondContact O-N 3.5Å; T45-I47 PolarHBondContact O-N 2.88Å; T45-Q48 PolarHBondContact O-N 3.33Å; T45-Q49 HydrophobicContact CG2-CG 4.46Å; T45-Q49 WeakPolarHBondContact O-CB 3.26Å; T45-Q49 WeakPolarHBondContact O-CG 3.47Å; T45-Q49 PolarHBondContact O-N 2.95Å
46L96.7Very high92Very high0 Ų042.3 Ų42.30%021%0.205CC..Hα-helixtrans-59.7-45.9177.3-76.4168.4000112.4C17 L21 V42 C43 Q48 Q49 F50 F70 I76 F78C17-L46 HydrophobicContact CB-CD2 3.75Å; C17-L46 HydrophobicContact CB-CG 4.13Å; C17-L46 WeakPolarHBondContact O-CD2 3.27Å; L21-L46 HydrophobicContact CB-CD2 4.2Å; V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 HydrophobicContact CG1-CG 4.5Å; V42-L46 PolarHBondContact O-N 3.31Å; C43-L46 PolarHBondContact O-N 2.92Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 3.32Å; L46-Q49 PolarHBondContact O-N 3.31Å; L46-F50 WeakPolarHBondContact O-CB 3.49Å; L46-F50 PolarHBondContact O-N 2.95Å; L46-F70 HydrophobicContact CB-CE2 3.99Å; L46-F70 HydrophobicContact CB-CZ 4.23Å; L46-F70 HydrophobicContact CD1-CZ 4.42Å; L46-I76 HydrophobicContact CD1-CG2 4.37Å; L46-I76 HydrophobicContact CD2-CD1 4.2Å; L46-F78 HydrophobicContact CD1-CE1 3.73Å; L46-F78 HydrophobicContact CD1-CZ 3.65Å
47I95.1Very high92.1Very high12 Ų1244.1 Ų44.16%0.06222%0.222CC..Hα-helixtrans-62.1-43.7178.1-70.3167000110.6C43 T45 F50 A51 L55 W66 A67 F237C43-I47 WeakPolarHBondContact O-CB 3.4Å; C43-I47 VanDerWaalsContact O-CG1 3.3Å; C43-I47 WeakPolarHBondContact O-CG1 3.36Å; C43-I47 PolarHBondContact O-N 3.4Å; T45-I47 PolarHBondContact O-N 2.88Å; I47-F50 PolarHBondContact O-N 3.46Å; I47-A51 VanDerWaalsContact O-CB 3.29Å; I47-A51 WeakPolarHBondContact O-CB 3.42Å; I47-A51 PolarHBondContact O-N 3.33Å; I47-L55 HydrophobicContact CG2-CD1 3.81Å; I47-W66 HydrophobicContact CG2-CB 3.81Å; I47-A67 HydrophobicContact CD1-CB 3.87Å; I47-F237 HydrophobicContact CD1-CD1 4.21Å; I47-F237 HydrophobicContact CD1-CE1 3.52Å; I47-F237 HydrophobicContact CD1-CZ 3.99Å; I47-F237 HydrophobicContact CG1-CE1 4.27Å; I47-F237 HydrophobicContact CG1-CZ 4.24Å
48Q94.8Very high92.1Very high9 Ų945.5 Ų45.54%0.04224%0.235CC..Hα-helixtrans-67.4-40.1-179.7-167.4171.5-9.900112.1K44 T45 L46 G52 L55 D217K44-Q48 WeakPolarHBondContact O-CB 3.5Å; K44-Q48 PolarHBondContact O-N 3.1Å; T45-Q48 PolarHBondContact O-N 3.33Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 3.32Å; Q48-G52 PolarHBondContact O-N 2.79Å; Q48-L55 HydrophobicContact CB-CD1 4.28Å; Q48-L55 HydrophobicContact CG-CB 4.41Å; Q48-L55 HydrophobicContact CG-CD1 4.48Å; Q48-L55 HydrophobicContact CG-CG 4.38Å; Q48-D217 PolarHBondContact NE2-O 2.92Å; Q48-D217 VanDerWaalsContact NE2-O 3.08Å
49Q95.5Very high92.2Very high0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-66.4-39.4174-73.9175.9-20.900112.5T14 C17 E18 L21 T45 L46 G52 L219T14-Q49 PolarHBondContact O-NE2 3.39Å; C17-Q49 VanDerWaalsContact C-OE1 3.32Å; E18-Q49 VanDerWaalsContact N-OE1 3.08Å; L21-Q49 HydrophobicContact CD2-CB 3.96Å; T45-Q49 HydrophobicContact CG2-CG 4.46Å; T45-Q49 WeakPolarHBondContact O-CB 3.26Å; T45-Q49 WeakPolarHBondContact O-CG 3.47Å; T45-Q49 PolarHBondContact O-N 2.95Å; L46-Q49 PolarHBondContact O-N 3.31Å; Q49-G52 PolarHBondContact O-N 2.92Å; Q49-L219 WeakPolarHBondContact CG-O 3.3Å; Q49-L219 PolarHBondContact NE2-O 3.27Å
50F95.3Very high92.2Very high3 Ų351.7 Ų51.71%0.01327%0.27CS..Hα-helixtrans-63.3-50.1175.6177.3-108000111.7L21 E25 L46 I47 G52 W66 M69 F70 V74 R226L21-F50 HydrophobicContact CD1-CB 4.36Å; L21-F50 HydrophobicContact CD1-CD2 4.1Å; L21-F50 HydrophobicContact CD2-CB 3.9Å; E25-F50 HydrophobicContact CG-CE2 4.49Å; E25-F50 WeakPolarHBondContact OE1-CD2 3.35Å; E25-F50 WeakPolarHBondContact OE1-CE2 3.21Å; L46-F50 WeakPolarHBondContact O-CB 3.49Å; L46-F50 PolarHBondContact O-N 2.95Å; I47-F50 PolarHBondContact O-N 3.46Å; F50-G52 PolarHBondContact O-N 3.32Å; F50-W66 AromaticContact CD1-CE3 3.95Å; F50-W66 HydrophobicContact CD1-CE3 3.95Å; F50-W66 HydrophobicContact CD1-CZ3 4.36Å; F50-W66 AromaticContact CE1-CE3 3.92Å; F50-W66 HydrophobicContact CE1-CE3 3.92Å; F50-W66 HydrophobicContact CE1-CZ3 4.16Å; F50-M69 HydrophobicContact CE1-CB 4.1Å; F50-M69 HydrophobicContact CE1-CG 3.9Å; F50-M69 HydrophobicContact CE1-SD 4.11Å; F50-M69 HydrophobicContact CZ-CE 4.41Å; F50-M69 HydrophobicContact CZ-CG 4.06Å; F50-M69 HydrophobicContact CZ-SD 4.34Å; F50-F70 HydrophobicContact CB-CD2 3.82Å; F50-F70 HydrophobicContact CB-CE2 4.35Å; F50-F70 HydrophobicContact CD1-CB 4Å; F50-F70 HydrophobicContact CD1-CD2 4.07Å; F50-F70 HydrophobicContact CD2-CD2 4.24Å; F50-F70 HydrophobicContact CE1-CB 4.14Å; F50-F70 AromaticContact CG-CD2 3.78Å; F50-F70 HydrophobicContact CG-CD2 3.78Å; F50-V74 HydrophobicContact CD2-CG2 3.84Å; F50-V74 HydrophobicContact CE2-CG2 3.52Å; F50-V74 HydrophobicContact CZ-CG2 4.13Å; F50-R226 VanDerWaalsContact O-CD 3.26Å; F50-R226 WeakPolarHBondContact O-CD 3.42Å
51A93.4Very high92.1Very high0 Ų046.5 Ų46.50%026%0.263CS..Hα-helixtrans-59.6-38.9176.800000111.6I47 E53 L55 W66 R226I47-A51 VanDerWaalsContact O-CB 3.29Å; I47-A51 WeakPolarHBondContact O-CB 3.42Å; I47-A51 PolarHBondContact O-N 3.33Å; A51-E53 HydrophobicContact CB-CG 4.05Å; A51-E53 PolarHBondContact O-N 2.89Å; A51-L55 HydrophobicContact CB-CD1 4.16Å; A51-W66 HydrophobicContact CB-CD2 3.46Å; A51-W66 VanDerWaalsContact CB-CD2 3.46Å; A51-W66 VanDerWaalsContact CB-CE2 3.41Å; A51-W66 HydrophobicContact CB-CE3 3.91Å; A51-W66 HydrophobicContact CB-CG 3.82Å; A51-W66 HydrophobicContact CB-CH2 4.23Å; A51-W66 HydrophobicContact CB-CZ2 3.81Å; A51-W66 HydrophobicContact CB-CZ3 4.28Å; A51-R226 PolarHBondContact O-N 2.97Å; A51-R226 VanDerWaalsContact O-N 3.16Å
52G91.6Very high92.1Very high2 Ų245.3 Ų45.32%0.02126%0.255CS..THydrogen-bonded Turntrans62.725.7-175.800000112.1Q48 Q49 F50 R218 P225Q48-G52 PolarHBondContact O-N 2.79Å; Q49-G52 PolarHBondContact O-N 2.92Å; F50-G52 PolarHBondContact O-N 3.32Å; G52-R218 WeakPolarHBondContact O-CD 3.47Å; G52-R218 PolarHBondContact O-NH1 3.29Å; G52-P225 VanDerWaalsContact O-CA 3.23Å; G52-P225 WeakPolarHBondContact O-CA 3.41Å; G52-P225 WeakPolarHBondContact O-CB 3.09Å
53E89.3Confident91.9Very high46 Ų4647.8 Ų47.822%0.21527%0.268CS..SBendtrans-132.7156.9172.467.3177.1-166.100110.2A51 L55 R62 W66A51-E53 HydrophobicContact CB-CG 4.05Å; A51-E53 PolarHBondContact O-N 2.89Å; E53-L55 HydrophobicContact CG-CD2 4.04Å; E53-L55 PolarHBondContact O-N 2.88Å; E53-R62 IonicContact OE1-CZ 2.91Å; E53-R62 IonicContact OE1-NE 3.84Å; E53-R62 PolarHBondContact OE1-NE 3.45Å; E53-R62 IonicContact OE1-NH2 3.86Å; E53-R62 PolarHBondContact OE1-NH2 3.47Å; E53-R62 VanDerWaalsContact OE1-NH2 3.14Å; E53-R62 IonicContact OE2-NH2 3.3Å; E53-R62 PolarHBondContact OE2-NH2 3.01Å; E53-W66 HydrophobicContact CG-CZ2 4.29Å; E53-W66 PolarHBondContact OE1-NE1 3.44Å
54P89.9Confident91.8Very high72 Ų7250.2 Ų50.247%0.46829%0.289SS..  trans-64.3127.9174.4-19.733.2000110.7D217 R218P54-D217 WeakPolarHBondContact CA-O 3.37Å; P54-D217 HydrophobicContact CG-CB 4.17Å; P54-R218 HydrophobicContact CG-CG 4.2Å
55L89.6Confident91.7Very high15 Ų1547.6 Ų47.68%0.07928%0.278CS..  trans-113.320.3174.8-59.8-179.7000111.8I47 Q48 A51 E53 P57 P58 R62I47-L55 HydrophobicContact CG2-CD1 3.81Å; Q48-L55 HydrophobicContact CB-CD1 4.28Å; Q48-L55 HydrophobicContact CG-CB 4.41Å; Q48-L55 HydrophobicContact CG-CD1 4.48Å; Q48-L55 HydrophobicContact CG-CG 4.38Å; A51-L55 HydrophobicContact CB-CD1 4.16Å; E53-L55 HydrophobicContact CG-CD2 4.04Å; E53-L55 PolarHBondContact O-N 2.88Å; L55-P57 CarbonylContact O-C 3.54Å; L55-P58 WeakPolarHBondContact O-CA 3.33Å; L55-R62 HydrophobicContact CD2-CG 4.34Å
56D86.6Confident91.7Very high108 Ų10846.9 Ų46.958%0.57827%0.274SS*.  trans-126.8122.1175.5-159.814.7000108.4P58D56-P58 WeakPolarHBondContact OD1-CD 3.43Å
57P87.5Confident91.5Very high108 Ų10847.7 Ų47.770%0.70128%0.28SS*.SBendcis-63.9147.63.429-35.6000113.4L55 I59L55-P57 CarbonylContact O-C 3.54Å; P57-I59 PolarHBondContact O-N 3.08Å
58P86.8Confident91.4Very high81 Ų8150.8 Ų50.853%0.52629%0.291SS..  trans-70.6122.1-175.927.9-34.1000111.5L55 D56 P60 I63L55-P58 WeakPolarHBondContact O-CA 3.33Å; D56-P58 WeakPolarHBondContact OD1-CD 3.43Å; P58-P60 WeakPolarHBondContact O-CD 3.48Å; P58-I63 HydrophobicContact CB-CD1 3.56Å
59I91.1Very high91.3Very high102 Ų10251.1 Ų51.152%0.52329%0.293SS..  trans-101.6107.2168.4-59.1172000107.3P57 S61 R62 I63P57-I59 PolarHBondContact O-N 3.08Å; I59-S61 PolarHBondContact O-N 3.29Å; I59-R62 HydrophobicContact CB-CB 3.9Å; I59-R62 HydrophobicContact CG2-CB 3.92Å; I59-R62 WeakPolarHBondContact O-CB 3.3Å; I59-R62 PolarHBondContact O-N 2.96Å; I59-R62 VanDerWaalsContact O-N 3.11Å; I59-I63 WeakPolarHBondContact O-CG1 3.32Å; I59-I63 PolarHBondContact O-N 2.85Å
60P90.7Very high91.3Very high101 Ų10151.2 Ų51.266%0.65629%0.293SS*.Hα-helixtrans-57.2-41.8-170.1-29.136000114.8P58 I63 A64P58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-I63 PolarHBondContact O-N 2.86Å; P60-A64 WeakPolarHBondContact O-CB 3.39Å; P60-A64 PolarHBondContact O-N 3.26Å
61S90.5Very high91.2Very high77 Ų7751.1 Ų51.154%0.53829%0.293SS..Hα-helixtrans-61.8-44.6177.150.60000111.8I59 A64 E65I59-S61 PolarHBondContact O-N 3.29Å; S61-A64 PolarHBondContact O-N 3.41Å; S61-E65 WeakPolarHBondContact O-CG 3.31Å; S61-E65 PolarHBondContact O-N 3.14Å
62R90.3Very high91.1Very high84 Ų8454 Ų5432%0.31731%0.306SS..Hα-helixtrans-64.3-43.1178.4-166.267.4172.7178.6-1.2111.9E53 L55 I59 A64 E65 W66E53-R62 IonicContact OE1-CZ 2.91Å; E53-R62 IonicContact OE1-NE 3.84Å; E53-R62 PolarHBondContact OE1-NE 3.45Å; E53-R62 IonicContact OE1-NH2 3.86Å; E53-R62 PolarHBondContact OE1-NH2 3.47Å; E53-R62 VanDerWaalsContact OE1-NH2 3.14Å; E53-R62 IonicContact OE2-NH2 3.3Å; E53-R62 PolarHBondContact OE2-NH2 3.01Å; L55-R62 HydrophobicContact CD2-CG 4.34Å; I59-R62 HydrophobicContact CB-CB 3.9Å; I59-R62 HydrophobicContact CG2-CB 3.92Å; I59-R62 WeakPolarHBondContact O-CB 3.3Å; I59-R62 PolarHBondContact O-N 2.96Å; I59-R62 VanDerWaalsContact O-N 3.11Å; R62-A64 VanDerWaalsContact C-N 3.32Å; R62-A64 PolarHBondContact O-N 3.28Å; R62-E65 IonicContact NH1-OE2 2.62Å; R62-E65 PolarHBondContact O-N 2.85Å; R62-W66 VanDerWaalsContact O-CD1 3.24Å; R62-W66 PolarHBondContact O-N 2.96Å; R62-W66 VanDerWaalsContact O-N 3.09Å
63I91.9Very high91.1Very high53 Ų5358.5 Ų58.527%0.27233%0.33SS..Hα-helixtrans-63.2-41175.5-66.8169.6000110.4P58 I59 P60 W66 A67P58-I63 HydrophobicContact CB-CD1 3.56Å; I59-I63 WeakPolarHBondContact O-CG1 3.32Å; I59-I63 PolarHBondContact O-N 2.85Å; P60-I63 PolarHBondContact O-N 2.86Å; I63-W66 PolarHBondContact O-N 3.42Å; I63-A67 VanDerWaalsContact O-CB 3.28Å; I63-A67 WeakPolarHBondContact O-CB 3.47Å; I63-A67 PolarHBondContact O-N 3.37Å
64A91.4Very high91.4Very high60 Ų6056.4 Ų56.450%0.49632%0.32SS..Hα-helixtrans-65.3-39.6177.900000112.3P60 S61 R62 A67 R68P60-A64 WeakPolarHBondContact O-CB 3.39Å; P60-A64 PolarHBondContact O-N 3.26Å; S61-A64 PolarHBondContact O-N 3.41Å; R62-A64 VanDerWaalsContact C-N 3.32Å; R62-A64 PolarHBondContact O-N 3.28Å; A64-A67 PolarHBondContact O-N 2.84Å; A64-R68 WeakPolarHBondContact O-CB 3.35Å; A64-R68 PolarHBondContact O-N 3.33Å
65E92.8Very high91.7Very high51 Ų5154.1 Ų54.124%0.23831%0.306CS..Hα-helixtrans-61-48.1174.4-73.6170.117100111.7S61 R62 R68 M69 L228S61-E65 WeakPolarHBondContact O-CG 3.31Å; S61-E65 PolarHBondContact O-N 3.14Å; R62-E65 IonicContact NH1-OE2 2.62Å; R62-E65 PolarHBondContact O-N 2.85Å; E65-R68 PolarHBondContact O-N 2.79Å; E65-M69 PolarHBondContact O-N 2.9Å; E65-L228 HydrophobicContact CB-CD1 4.34Å; E65-L228 HydrophobicContact CB-CD2 4.06Å; E65-L228 WeakPolarHBondContact OE2-CD2 3.38Å
66W94.6Very high92.1Very high1 Ų153.5 Ų53.50%0.00430%0.302CS..Hα-helixtrans-64.4-40.4175.8-77.6120.7000112.7I47 F50 A51 E53 R62 I63 R68 M69 F70 R226 L228I47-W66 HydrophobicContact CG2-CB 3.81Å; F50-W66 AromaticContact CD1-CE3 3.95Å; F50-W66 HydrophobicContact CD1-CE3 3.95Å; F50-W66 HydrophobicContact CD1-CZ3 4.36Å; F50-W66 AromaticContact CE1-CE3 3.92Å; F50-W66 HydrophobicContact CE1-CE3 3.92Å; F50-W66 HydrophobicContact CE1-CZ3 4.16Å; A51-W66 HydrophobicContact CB-CD2 3.46Å; A51-W66 VanDerWaalsContact CB-CD2 3.46Å; A51-W66 VanDerWaalsContact CB-CE2 3.41Å; A51-W66 HydrophobicContact CB-CE3 3.91Å; A51-W66 HydrophobicContact CB-CG 3.82Å; A51-W66 HydrophobicContact CB-CH2 4.23Å; A51-W66 HydrophobicContact CB-CZ2 3.81Å; A51-W66 HydrophobicContact CB-CZ3 4.28Å; E53-W66 HydrophobicContact CG-CZ2 4.29Å; E53-W66 PolarHBondContact OE1-NE1 3.44Å; R62-W66 VanDerWaalsContact O-CD1 3.24Å; R62-W66 PolarHBondContact O-N 2.96Å; R62-W66 VanDerWaalsContact O-N 3.09Å; I63-W66 PolarHBondContact O-N 3.42Å; W66-R68 VanDerWaalsContact C-N 3.32Å; W66-R68 PolarHBondContact O-N 2.94Å; W66-M69 HydrophobicContact CE3-SD 4.03Å; W66-M69 HydrophobicContact CZ3-SD 3.65Å; W66-M69 PolarHBondContact O-N 3.36Å; W66-F70 VanDerWaalsContact O-CB 3.25Å; W66-F70 WeakPolarHBondContact O-CB 3.12Å; W66-F70 PolarHBondContact O-N 3.09Å; W66-R226 HydrophobicContact CH2-CB 4.15Å; W66-R226 HydrophobicContact CZ3-CB 4.43Å; W66-L228 HydrophobicContact CD2-CD1 3.64Å; W66-L228 HydrophobicContact CE3-CD1 3.56Å; W66-L228 HydrophobicContact CG-CD1 4.29Å; W66-L228 HydrophobicContact CH2-CB 3.66Å; W66-L228 HydrophobicContact CH2-CD1 4.02Å; W66-L228 HydrophobicContact CH2-CG 4.43Å; W66-L228 HydrophobicContact CZ2-CB 3.67Å; W66-L228 HydrophobicContact CZ2-CD1 4.1Å; W66-L228 HydrophobicContact CZ2-CG 4.36Å; W66-L228 HydrophobicContact CZ3-CB 4.22Å; W66-L228 HydrophobicContact CZ3-CD1 3.74Å
67A93.4Very high92.6Very high16 Ų1650.2 Ų50.213%0.13228%0.282CS..Hα-helixtrans-63.5-38.9176.800000111.9I47 I63 A64 S71 F237I47-A67 HydrophobicContact CD1-CB 3.87Å; I63-A67 VanDerWaalsContact O-CB 3.28Å; I63-A67 WeakPolarHBondContact O-CB 3.47Å; I63-A67 PolarHBondContact O-N 3.37Å; A64-A67 PolarHBondContact O-N 2.84Å; A67-S71 PolarHBondContact O-N 3.35Å; A67-F237 HydrophobicContact CB-CD1 4.25Å
68R92.5Very high93Very high77 Ų7745.1 Ų45.129%0.29125%0.249SC..Hα-helixtrans-65.8-43.9174.2-173.6178.946.9168.7-7.3111A64 E65 W66 S71 E72 P231 K233A64-R68 WeakPolarHBondContact O-CB 3.35Å; A64-R68 PolarHBondContact O-N 3.33Å; E65-R68 PolarHBondContact O-N 2.79Å; W66-R68 VanDerWaalsContact C-N 3.32Å; W66-R68 PolarHBondContact O-N 2.94Å; R68-S71 PolarHBondContact O-N 2.91Å; R68-E72 PolarHBondContact O-N 3.33Å; R68-P231 HydrophobicContact CB-CG 4.23Å; R68-P231 HydrophobicContact CG-CB 4.06Å; R68-P231 HydrophobicContact CG-CG 3.9Å; R68-P231 PolarHBondContact NE-O 2.8Å; R68-P231 PolarHBondContact NH1-O 3.24Å; R68-K233 WeakPolarHBondContact CD-O 3.37Å
69M93.4Very high93.3Very high17 Ų1741.6 Ų41.68%0.08423%0.225CC..Hα-helixtrans-65.9-41.4178.8-171.3-176.6178.500111.2F50 E65 W66 E72 N73 L228 V229 P231F50-M69 HydrophobicContact CE1-CB 4.1Å; F50-M69 HydrophobicContact CE1-CG 3.9Å; F50-M69 HydrophobicContact CE1-SD 4.11Å; F50-M69 HydrophobicContact CZ-CE 4.41Å; F50-M69 HydrophobicContact CZ-CG 4.06Å; F50-M69 HydrophobicContact CZ-SD 4.34Å; E65-M69 PolarHBondContact O-N 2.9Å; W66-M69 HydrophobicContact CE3-SD 4.03Å; W66-M69 HydrophobicContact CZ3-SD 3.65Å; W66-M69 PolarHBondContact O-N 3.36Å; M69-E72 PolarHBondContact O-N 3.32Å; M69-N73 WeakPolarHBondContact O-CB 3.27Å; M69-N73 PolarHBondContact O-N 2.97Å; M69-N73 VanDerWaalsContact O-N 3.1Å; M69-N73 PolarHBondContact O-ND2 3.15Å; M69-L228 HydrophobicContact CB-CD1 4.45Å; M69-L228 HydrophobicContact SD-CD1 3.86Å; M69-V229 HydrophobicContact CE-CB 4.17Å; M69-V229 HydrophobicContact CE-CG2 4.47Å; M69-P231 HydrophobicContact CB-CG 3.58Å; M69-P231 HydrophobicContact CG-CG 4.13Å
70F94.8Very high93Very high1 Ų140.5 Ų40.50%0.00422%0.221CC..Hα-helixtrans-56.9-52.9172.7-177.7-78.7000110.5L21 L46 F50 W66 E72 N73 V74 I76 F237L21-F70 HydrophobicContact CD1-CD2 4.46Å; L21-F70 HydrophobicContact CD1-CE2 3.75Å; L46-F70 HydrophobicContact CB-CE2 3.99Å; L46-F70 HydrophobicContact CB-CZ 4.23Å; L46-F70 HydrophobicContact CD1-CZ 4.42Å; F50-F70 HydrophobicContact CB-CD2 3.82Å; F50-F70 HydrophobicContact CB-CE2 4.35Å; F50-F70 HydrophobicContact CD1-CB 4Å; F50-F70 HydrophobicContact CD1-CD2 4.07Å; F50-F70 HydrophobicContact CD2-CD2 4.24Å; F50-F70 HydrophobicContact CE1-CB 4.14Å; F50-F70 AromaticContact CG-CD2 3.78Å; F50-F70 HydrophobicContact CG-CD2 3.78Å; W66-F70 VanDerWaalsContact O-CB 3.25Å; W66-F70 WeakPolarHBondContact O-CB 3.12Å; W66-F70 PolarHBondContact O-N 3.09Å; F70-E72 PolarHBondContact O-N 2.83Å; F70-N73 PolarHBondContact O-N 3.08Å; F70-V74 HydrophobicContact CD1-CB 4.22Å; F70-V74 HydrophobicContact CD2-CB 4.25Å; F70-V74 HydrophobicContact CD2-CG2 4.07Å; F70-V74 HydrophobicContact CE1-CB 4.1Å; F70-V74 HydrophobicContact CE1-CG1 4.18Å; F70-V74 HydrophobicContact CE2-CB 4.17Å; F70-V74 HydrophobicContact CE2-CG1 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.3Å; F70-V74 HydrophobicContact CG-CB 4.28Å; F70-V74 HydrophobicContact CG-CG2 4.32Å; F70-V74 HydrophobicContact CZ-CB 4.1Å; F70-V74 HydrophobicContact CZ-CG1 3.78Å; F70-V74 WeakPolarHBondContact O-CA 3.2Å; F70-V74 VanDerWaalsContact O-CB 3.23Å; F70-V74 WeakPolarHBondContact O-CB 3.25Å; F70-V74 PolarHBondContact O-N 3.47Å; F70-I76 HydrophobicContact CE1-CB 4.15Å; F70-I76 HydrophobicContact CZ-CB 4.03Å; F70-I76 HydrophobicContact CZ-CD1 3.84Å; F70-I76 HydrophobicContact CZ-CG1 4.4Å; F70-I76 HydrophobicContact CZ-CG2 4.49Å; F70-F237 AromaticContact CD1-CD2 3.76Å; F70-F237 HydrophobicContact CD1-CD2 3.76Å; F70-F237 AromaticContact CD1-CE2 3.45Å; F70-F237 HydrophobicContact CD1-CE2 3.45Å; F70-F237 VanDerWaalsContact CD1-CE2 3.45Å; F70-F237 HydrophobicContact CD1-CZ 4.33Å; F70-F237 HydrophobicContact CE1-CD2 4.1Å; F70-F237 AromaticContact CE1-CE2 3.44Å; F70-F237 HydrophobicContact CE1-CE2 3.44Å; F70-F237 VanDerWaalsContact CE1-CE2 3.44Å; F70-F237 HydrophobicContact CE1-CZ 4.33Å; F70-F237 HydrophobicContact CG-CE2 4.43Å; F70-F237 HydrophobicContact CZ-CE2 4.38Å
71S93.3Very high92.2Very high1 Ų137.1 Ų37.11%0.00720%0.197CC..Hα-helixtrans-60.5-46.2-178.8-172.30000111.1A67 R68 N73 T235 T236 R239A67-S71 PolarHBondContact O-N 3.35Å; R68-S71 PolarHBondContact O-N 2.91Å; S71-N73 VanDerWaalsContact C-N 3.29Å; S71-N73 PolarHBondContact O-N 3.28Å; S71-T235 VanDerWaalsContact CB-OG1 3.32Å; S71-T235 WeakPolarHBondContact CB-OG1 3.35Å; S71-T235 WeakPolarHBondContact OG-CB 3.38Å; S71-T235 PolarHBondContact OG-OG1 3.17Å; S71-T236 PolarHBondContact OG-O 3.39Å; S71-R239 VanDerWaalsContact C-NH2 3.34Å; S71-R239 PolarHBondContact O-NH2 3.33Å; S71-R239 PolarHBondContact OG-NE 3.32Å; S71-R239 PolarHBondContact OG-NH2 3.28Å
72E90.9Very high90.9Very high61 Ų6139.6 Ų39.629%0.28520%0.2SC..Hα-helixtrans-63.2-32.3-179.1-173160.1-173.100113.8R68 M69 F70 P231 T235R68-E72 PolarHBondContact O-N 3.33Å; M69-E72 PolarHBondContact O-N 3.32Å; F70-E72 PolarHBondContact O-N 2.83Å; E72-P231 HydrophobicContact CB-CB 4.4Å; E72-P231 WeakPolarHBondContact OE2-CB 3.4Å; E72-T235 HydrophobicContact CB-CG2 4.44Å
73N91.5Very high89.4Confident96 Ų9638.6 Ų38.651%0.51322%0.215SC..Hα-helixtrans-111.3-15.5-169-63-80.6000115.2M69 F70 S71M69-N73 WeakPolarHBondContact O-CB 3.27Å; M69-N73 PolarHBondContact O-N 2.97Å; M69-N73 VanDerWaalsContact O-N 3.1Å; M69-N73 PolarHBondContact O-ND2 3.15Å; F70-N73 PolarHBondContact O-N 3.08Å; S71-N73 VanDerWaalsContact C-N 3.29Å; S71-N73 PolarHBondContact O-N 3.28Å
74V95.7Very high87.9Confident2 Ų240.2 Ų40.21%0.01224%0.237CC..  trans-120.5112.3-170.9-172.70000109.8L21 A24 E25 F50 F70 I76L21-V74 HydrophobicContact CD1-CG1 3.77Å; L21-V74 HydrophobicContact CD1-CG2 4.25Å; A24-V74 HydrophobicContact CB-CG1 3.66Å; E25-V74 HydrophobicContact CG-CG2 4.24Å; F50-V74 HydrophobicContact CD2-CG2 3.84Å; F50-V74 HydrophobicContact CE2-CG2 3.52Å; F50-V74 HydrophobicContact CZ-CG2 4.13Å; F70-V74 HydrophobicContact CD1-CB 4.22Å; F70-V74 HydrophobicContact CD2-CB 4.25Å; F70-V74 HydrophobicContact CD2-CG2 4.07Å; F70-V74 HydrophobicContact CE1-CB 4.1Å; F70-V74 HydrophobicContact CE1-CG1 4.18Å; F70-V74 HydrophobicContact CE2-CB 4.17Å; F70-V74 HydrophobicContact CE2-CG1 3.96Å; F70-V74 HydrophobicContact CE2-CG2 4.3Å; F70-V74 HydrophobicContact CG-CB 4.28Å; F70-V74 HydrophobicContact CG-CG2 4.32Å; F70-V74 HydrophobicContact CZ-CB 4.1Å; F70-V74 HydrophobicContact CZ-CG1 3.78Å; F70-V74 WeakPolarHBondContact O-CA 3.2Å; F70-V74 VanDerWaalsContact O-CB 3.23Å; F70-V74 WeakPolarHBondContact O-CB 3.25Å; F70-V74 PolarHBondContact O-N 3.47Å; V74-I76 HydrophobicContact CG1-CB 4.33Å; V74-I76 HydrophobicContact CG1-CD1 3.71Å; V74-I76 HydrophobicContact CG1-CG1 3.82Å; V74-I76 PolarHBondContact O-N 3.3Å
75P96.7Very high86.9Confident25 Ų2538.9 Ų38.916%0.16222%0.22CC..  trans-79.159.8-178.935.3-37.5000111.7A24 P29 T30 Y77A24-P75 HydrophobicContact CB-CG 4.34Å; A24-P75 WeakPolarHBondContact O-CD 3.47Å; P29-P75 CarbonylContact C-O 3.55Å; P29-P75 WeakPolarHBondContact CA-O 3.38Å; P29-P75 HydrophobicContact CB-CB 4.13Å; P29-P75 HydrophobicContact CG-CB 4.46Å; T30-P75 PolarHBondContact N-O 3.47Å; P75-Y77 HydrophobicContact CB-CE2 4.27Å; P75-Y77 WeakPolarHBondContact O-CE2 3.49Å
76I98.2Very high86.3Confident1 Ų138.9 Ų38.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-102.6130172.9-72.1172.2000110.5L21 A24 T30 L46 F70 V74 F78L21-I76 HydrophobicContact CD1-CD1 4.36Å; A24-I76 HydrophobicContact CB-CD1 3.81Å; A24-I76 HydrophobicContact CB-CG1 3.61Å; T30-I76 CarbonylContact O-C 3.53Å; T30-I76 WeakPolarHBondContact O-CA 3.45Å; L46-I76 HydrophobicContact CD1-CG2 4.37Å; L46-I76 HydrophobicContact CD2-CD1 4.2Å; F70-I76 HydrophobicContact CE1-CB 4.15Å; F70-I76 HydrophobicContact CZ-CB 4.03Å; F70-I76 HydrophobicContact CZ-CD1 3.84Å; F70-I76 HydrophobicContact CZ-CG1 4.4Å; F70-I76 HydrophobicContact CZ-CG2 4.49Å; V74-I76 HydrophobicContact CG1-CB 4.33Å; V74-I76 HydrophobicContact CG1-CD1 3.71Å; V74-I76 HydrophobicContact CG1-CG1 3.82Å; V74-I76 PolarHBondContact O-N 3.3Å; I76-F78 HydrophobicContact CG2-CD2 4.42Å; I76-F78 HydrophobicContact CG2-CE1 3.86Å; I76-F78 HydrophobicContact CG2-CE2 3.73Å; I76-F78 HydrophobicContact CG2-CZ 3.42Å; I76-F78 VanDerWaalsContact CG2-CZ 3.42Å
77Y97.3Very high85.7Confident39 Ų3939.8 Ų39.815%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-119.2157.8178.7-55.3-94000109.8P29 T30 L31 W32 P75 V103 R239 V241P29-Y77 HydrophobicContact CB-CE2 4.27Å; T30-Y77 PolarHBondContact O-N 2.9Å; L31-Y77 CarbonylContact C-O 3.54Å; L31-Y77 WeakPolarHBondContact CA-O 3.34Å; W32-Y77 PolarHBondContact N-O 3.47Å; P75-Y77 HydrophobicContact CB-CE2 4.27Å; P75-Y77 WeakPolarHBondContact O-CE2 3.49Å; Y77-V103 HydrophobicContact CD2-CG2 4.16Å; Y77-R239 CarbonylContact C-O 3.51Å; Y77-R239 WeakPolarHBondContact CA-O 3.45Å; Y77-R239 HydrophobicContact CD1-CB 3.84Å; Y77-R239 HydrophobicContact CE1-CB 4.33Å; Y77-V241 HydrophobicContact CD1-CG2 4.09Å; Y77-V241 HydrophobicContact CG-CG2 4.23Å
78F96.2Very high85.4Confident1 Ų144 Ų440%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-132.6136-175.8-57.4-88.4000111.7W32 L39 V42 L46 I76 F237 P238 R239 I240 V241W32-F78 HydrophobicContact CB-CD1 3.59Å; W32-F78 HydrophobicContact CB-CE1 4.02Å; W32-F78 HydrophobicContact CB-CG 4.5Å; W32-F78 HydrophobicContact CG-CD1 4.31Å; W32-F78 HydrophobicContact CG-CE1 4.25Å; W32-F78 WeakPolarHBondContact O-CA 3.32Å; L39-F78 HydrophobicContact CD1-CB 3.64Å; L39-F78 HydrophobicContact CD1-CD1 3.24Å; L39-F78 HydrophobicContact CD1-CD2 4.27Å; L39-F78 HydrophobicContact CD1-CE1 3.9Å; L39-F78 HydrophobicContact CD1-CG 3.46Å; L39-F78 VanDerWaalsContact CD1-CG 3.46Å; L39-F78 HydrophobicContact CD2-CB 4.23Å; V42-F78 HydrophobicContact CG1-CE1 4.19Å; L46-F78 HydrophobicContact CD1-CE1 3.73Å; L46-F78 HydrophobicContact CD1-CZ 3.65Å; I76-F78 HydrophobicContact CG2-CD2 4.42Å; I76-F78 HydrophobicContact CG2-CE1 3.86Å; I76-F78 HydrophobicContact CG2-CE2 3.73Å; I76-F78 HydrophobicContact CG2-CZ 3.42Å; I76-F78 VanDerWaalsContact CG2-CZ 3.42Å; F78-F237 AromaticContact CE2-CE2 3.89Å; F78-F237 HydrophobicContact CE2-CE2 3.89Å; F78-F237 HydrophobicContact CE2-CZ 4.29Å; F78-F237 HydrophobicContact CZ-CE2 4.32Å; F78-F237 HydrophobicContact CZ-CZ 4.43Å; F78-P238 HydrophobicContact CD2-CB 3.56Å; F78-P238 HydrophobicContact CE2-CB 3.83Å; F78-P238 HydrophobicContact CG-CB 4.4Å; F78-R239 PolarHBondContact N-O 3.06Å; F78-I240 HydrophobicContact CB-CD1 4.08Å; F78-I240 WeakPolarHBondContact O-CA 3.41Å; F78-V241 PolarHBondContact O-N 3.48Å
79M93.1Very high85.2Confident7 Ų744.7 Ų44.73%0.03426%0.261CS..EExtended strand (participates in β ladder)trans-73.7124164.8-52.9-177.9-174.800108L31 W32 F35 L81 V90 T93 M94 I106 I108L31-M79 HydrophobicContact CD1-CG 3.95Å; L31-M79 HydrophobicContact CD2-CE 3.48Å; L31-M79 VanDerWaalsContact CD2-CE 3.48Å; L31-M79 HydrophobicContact CD2-CG 4.2Å; L31-M79 HydrophobicContact CG-CE 3.81Å; L31-M79 HydrophobicContact CG-CG 4.04Å; W32-M79 PolarHBondContact O-N 2.96Å; F35-M79 HydrophobicContact CZ-SD 4.1Å; M79-L81 HydrophobicContact CB-CD1 4.16Å; M79-L81 HydrophobicContact CB-CG 4.08Å; M79-L81 PolarHBondContact O-N 3.13Å; M79-L81 HydrophobicContact SD-CD1 4.21Å; M79-V90 HydrophobicContact SD-CG1 4.42Å; M79-T93 HydrophobicContact CB-CG2 4.12Å; M79-T93 HydrophobicContact CG-CG2 3.74Å; M79-T93 HydrophobicContact SD-CG2 4.31Å; M79-M94 HydrophobicContact CE-CB 4.48Å; M79-M94 HydrophobicContact CE-CG 3.34Å; M79-M94 HydrophobicContact CE-SD 4.41Å; M79-I106 HydrophobicContact CE-CG2 4.13Å; M79-I108 HydrophobicContact CE-CD1 4.2Å
80N84.1Confident85.2Confident80 Ų8043.9 Ų43.943%0.42826%0.257SS..  trans-91.856.8173.8-16738.3000111.2H82 I240N80-H82 PolarHBondContact OD1-CE1 2.87Å; N80-H82 PolarHBondContact OD1-NE2 2.76Å; N80-I240 HydrophobicContact CB-CD1 4.11Å; N80-I240 HydrophobicContact CB-CG1 4.39Å; N80-I240 HydrophobicContact CB-CG2 3.47Å; N80-I240 VanDerWaalsContact CB-CG2 3.47Å
81L74.6Confident85.1Confident30 Ų3045.4 Ų45.416%0.15727%0.266CS..  trans-102.3135-179.7-57.6176.5000109.3F35 M79 Q85 V90F35-L81 HydrophobicContact CE1-CB 4.05Å; F35-L81 HydrophobicContact CE1-CD1 4.07Å; F35-L81 HydrophobicContact CZ-CD1 4.43Å; M79-L81 HydrophobicContact CB-CD1 4.16Å; M79-L81 HydrophobicContact CB-CG 4.08Å; M79-L81 PolarHBondContact O-N 3.13Å; M79-L81 HydrophobicContact SD-CD1 4.21Å; L81-Q85 HydrophobicContact CB-CG 3.84Å; L81-Q85 HydrophobicContact CD1-CG 4.48Å; L81-V90 HydrophobicContact CD1-CG2 4.17Å
82H61.6Low85.1Confident129 Ų12950.4 Ų50.460%0.59729%0.287SS*.  trans-130.4138-177.5-57.2-27.7000110.6N80 Q85N80-H82 PolarHBondContact OD1-CE1 2.87Å; N80-H82 PolarHBondContact OD1-NE2 2.76Å; H82-Q85 PolarHBondContact O-NE2 3.17Å
83G58.7Low85.3Confident62 Ų6247.7 Ų47.764%0.63928%0.275SS*.SBendtrans81.8-163178.900000113.9Q85G83-Q85 PolarHBondContact O-N 2.49Å
84A61.4Low85.5Confident88 Ų8843.1 Ų43.173%0.72725%0.25SS*.SBendtrans-70116.8176.500000109.2
85Q71.3Confident85.6Confident32 Ų3247.1 Ų47.115%0.1527%0.269CS..  trans-108.8143-177.9-64.7-68.3-47.500109.2F35 L81 H82 G83 V90 L114F35-Q85 HydrophobicContact CD1-CG 4.38Å; F35-Q85 HydrophobicContact CE1-CG 4.24Å; L81-Q85 HydrophobicContact CB-CG 3.84Å; L81-Q85 HydrophobicContact CD1-CG 4.48Å; H82-Q85 PolarHBondContact O-NE2 3.17Å; G83-Q85 PolarHBondContact O-N 2.49Å; Q85-V90 HydrophobicContact CB-CG2 4.04Å; Q85-L114 HydrophobicContact CB-CD2 4.38Å
86S78.7Confident85.5Confident51 Ų5147 Ų4736%0.35727%0.267SS..  trans-71145.8171.569.40000109.9T88 E89 V90S86-T88 PolarHBondContact O-N 3.15Å; S86-T88 VanDerWaalsContact O-N 3.15Å; S86-E89 WeakPolarHBondContact CB-OE2 3.23Å; S86-E89 PolarHBondContact N-OE2 3.02Å; S86-E89 PolarHBondContact O-N 2.7Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 VanDerWaalsContact OG-CG 3.22Å; S86-E89 WeakPolarHBondContact OG-CG 3.38Å; S86-E89 PolarHBondContact OG-N 2.83Å; S86-E89 VanDerWaalsContact OG-N 3.16Å; S86-E89 PolarHBondContact OG-OE2 3.19Å; S86-V90 PolarHBondContact O-N 3.31Å
87L83.4Confident85.5Confident20 Ų2046.9 Ų46.911%0.10527%0.267CS..Hα-helixtrans-50.9-38.4171.4178.550.8000111.5V90 L91 F132 K135L87-V90 PolarHBondContact O-N 3.08Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CD2 4.4Å; L87-L91 HydrophobicContact CD1-CG 3.8Å; L87-L91 HydrophobicContact CG-CD1 3.79Å; L87-L91 HydrophobicContact CG-CG 4.25Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.16Å; L87-F132 HydrophobicContact CB-CD1 4.44Å; L87-F132 HydrophobicContact CB-CD2 4.38Å; L87-F132 HydrophobicContact CB-CE1 3.8Å; L87-F132 HydrophobicContact CB-CE2 3.78Å; L87-F132 HydrophobicContact CB-CZ 3.47Å; L87-F132 VanDerWaalsContact CB-CZ 3.47Å; L87-F132 HydrophobicContact CD1-CD1 3.57Å; L87-F132 HydrophobicContact CD1-CE1 3.61Å; L87-F132 HydrophobicContact CD1-CG 4.05Å; L87-F132 HydrophobicContact CD1-CZ 4.17Å; L87-F132 HydrophobicContact CD2-CD1 4.38Å; L87-F132 HydrophobicContact CD2-CD2 3.88Å; L87-F132 HydrophobicContact CD2-CE2 4.09Å; L87-F132 HydrophobicContact CD2-CG 4.06Å; L87-F132 HydrophobicContact CD2-CZ 4.42Å; L87-F132 HydrophobicContact CG-CD1 4.33Å; L87-F132 HydrophobicContact CG-CD2 4.49Å; L87-F132 HydrophobicContact CG-CE1 4.15Å; L87-F132 HydrophobicContact CG-CE2 4.36Å; L87-F132 HydrophobicContact CG-CG 4.5Å; L87-F132 HydrophobicContact CG-CZ 4.2Å; L87-K135 HydrophobicContact CD2-CB 4Å; L87-K135 HydrophobicContact CD2-CG 3.88Å
88T86.9Confident85.5Confident103 Ų10346.6 Ų46.663%0.63227%0.269SS*.Hα-helixtrans-60-46.5178.7-51.10000111.9S86 K92S86-T88 PolarHBondContact O-N 3.15Å; S86-T88 VanDerWaalsContact O-N 3.15Å; T88-K92 WeakPolarHBondContact O-CB 3.29Å; T88-K92 PolarHBondContact O-N 3Å
89E88.3Confident85.5Confident92 Ų9254.5 Ų54.543%0.4330%0.303SS..Hα-helixtrans-64.7-40.6178.2-73.8158.314600112S86 K92 T93S86-E89 WeakPolarHBondContact CB-OE2 3.23Å; S86-E89 PolarHBondContact N-OE2 3.02Å; S86-E89 PolarHBondContact O-N 2.7Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 VanDerWaalsContact OG-CG 3.22Å; S86-E89 WeakPolarHBondContact OG-CG 3.38Å; S86-E89 PolarHBondContact OG-N 2.83Å; S86-E89 VanDerWaalsContact OG-N 3.16Å; S86-E89 PolarHBondContact OG-OE2 3.19Å; E89-K92 PolarHBondContact O-N 2.61Å; E89-T93 WeakPolarHBondContact O-CB 3.1Å; E89-T93 PolarHBondContact O-N 2.84Å; E89-T93 PolarHBondContact O-OG1 2.9Å
90V91.7Very high85.6Confident0 Ų059.2 Ų59.20%033%0.329CS..Hα-helixtrans-63.2-52.3177.1177.60000110.6F35 M79 L81 Q85 S86 L87 K92 T93 M94 I108 L114F35-V90 HydrophobicContact CE1-CG2 4.02Å; F35-V90 HydrophobicContact CZ-CG1 4.15Å; F35-V90 HydrophobicContact CZ-CG2 3.84Å; M79-V90 HydrophobicContact SD-CG1 4.42Å; L81-V90 HydrophobicContact CD1-CG2 4.17Å; Q85-V90 HydrophobicContact CB-CG2 4.04Å; S86-V90 PolarHBondContact O-N 3.31Å; L87-V90 PolarHBondContact O-N 3.08Å; V90-K92 VanDerWaalsContact C-N 3.31Å; V90-K92 PolarHBondContact O-N 2.83Å; V90-T93 PolarHBondContact O-N 2.74Å; V90-T93 VanDerWaalsContact O-N 3.13Å; V90-M94 HydrophobicContact CG1-SD 3.95Å; V90-M94 VanDerWaalsContact O-CG 3.25Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 2.89Å; V90-I108 HydrophobicContact CG1-CD1 4.19Å; V90-L114 HydrophobicContact CG2-CD2 3.76Å
91L93.8Very high86.1Confident34 Ų3457 Ų5718%0.17832%0.319CS..Hα-helixtrans-61.1-41178.8-71.9173000112.1L87 M94 E95 K135 L136 F139L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CD2 4.4Å; L87-L91 HydrophobicContact CD1-CG 3.8Å; L87-L91 HydrophobicContact CG-CD1 3.79Å; L87-L91 HydrophobicContact CG-CG 4.25Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.16Å; L91-M94 HydrophobicContact CD2-CE 4.48Å; L91-M94 HydrophobicContact CD2-SD 4.14Å; L91-M94 WeakPolarHBondContact O-CB 3.43Å; L91-M94 PolarHBondContact O-N 3.27Å; L91-E95 PolarHBondContact O-N 2.88Å; L91-K135 HydrophobicContact CD1-CB 4.16Å; L91-L136 HydrophobicContact CD2-CD2 4.11Å; L91-F139 HydrophobicContact CD2-CB 4.09Å; L91-F139 HydrophobicContact CD2-CD2 4.07Å; L91-F139 HydrophobicContact CD2-CG 4.25Å
92K93.6Very high87.1Confident106 Ų10657.4 Ų57.446%0.46133%0.331SS..Hα-helixtrans-60.1-49.5174.9-169-175.6165.4-172.60108.6T88 E89 V90 M94 E95 V96 Y243T88-K92 WeakPolarHBondContact O-CB 3.29Å; T88-K92 PolarHBondContact O-N 3Å; E89-K92 PolarHBondContact O-N 2.61Å; V90-K92 VanDerWaalsContact C-N 3.31Å; V90-K92 PolarHBondContact O-N 2.83Å; K92-M94 VanDerWaalsContact C-N 3.3Å; K92-M94 PolarHBondContact O-N 2.72Å; K92-E95 WeakPolarHBondContact O-CB 3.33Å; K92-E95 PolarHBondContact O-N 3.36Å; K92-V96 PolarHBondContact O-N 3.3Å; K92-V96 VanDerWaalsContact O-N 3.17Å; K92-Y243 VanDerWaalsContact C-CE2 3.49Å; K92-Y243 HydrophobicContact CB-CE2 4.11Å; K92-Y243 HydrophobicContact CD-CD2 4.31Å; K92-Y243 HydrophobicContact CD-CE1 4.38Å; K92-Y243 HydrophobicContact CD-CE2 4Å; K92-Y243 VanDerWaalsContact CE-CE1 3.42Å; K92-Y243 HydrophobicContact CG-CD2 4.26Å; K92-Y243 HydrophobicContact CG-CE1 4.13Å; K92-Y243 HydrophobicContact CG-CE2 3.48Å; K92-Y243 VanDerWaalsContact CG-CE2 3.48Å; K92-Y243 VanDerWaalsContact CG-OH 3.27Å; K92-Y243 WeakPolarHBondContact CG-OH 3.49Å; K92-Y243 WeakPolarHBondContact O-CE2 3.22Å; K92-Y243 PolarHBondContact O-OH 3.44Å
93T94.3Very high88.9Confident4 Ų451.4 Ų51.43%0.02530%0.304CS..Hα-helixtrans-61.3-38.2179.3-52.60000112.6M79 E89 V90 E95 V96 G97 V241M79-T93 HydrophobicContact CB-CG2 4.12Å; M79-T93 HydrophobicContact CG-CG2 3.74Å; M79-T93 HydrophobicContact SD-CG2 4.31Å; E89-T93 WeakPolarHBondContact O-CB 3.1Å; E89-T93 PolarHBondContact O-N 2.84Å; E89-T93 PolarHBondContact O-OG1 2.9Å; V90-T93 PolarHBondContact O-N 2.74Å; V90-T93 VanDerWaalsContact O-N 3.13Å; T93-E95 VanDerWaalsContact C-N 3.34Å; T93-E95 PolarHBondContact O-N 2.88Å; T93-V96 PolarHBondContact O-N 2.88Å; T93-G97 PolarHBondContact O-N 2.83Å; T93-V241 HydrophobicContact CG2-CG1 4.04Å
94M96.3Very high90.8Very high0 Ų053.8 Ų53.80%030%0.298CS..Hα-helixtrans-59.1-44.9171.8-66.3165.761.800111.4M79 V90 L91 K92 V96 G97 V98 I106 I108 L136 F139 V147M79-M94 HydrophobicContact CE-CB 4.48Å; M79-M94 HydrophobicContact CE-CG 3.34Å; M79-M94 HydrophobicContact CE-SD 4.41Å; V90-M94 HydrophobicContact CG1-SD 3.95Å; V90-M94 VanDerWaalsContact O-CG 3.25Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 2.89Å; L91-M94 HydrophobicContact CD2-CE 4.48Å; L91-M94 HydrophobicContact CD2-SD 4.14Å; L91-M94 WeakPolarHBondContact O-CB 3.43Å; L91-M94 PolarHBondContact O-N 3.27Å; K92-M94 VanDerWaalsContact C-N 3.3Å; K92-M94 PolarHBondContact O-N 2.72Å; M94-V96 PolarHBondContact O-N 3.27Å; M94-G97 PolarHBondContact O-N 2.97Å; M94-G97 VanDerWaalsContact O-N 3.15Å; M94-V98 WeakPolarHBondContact O-CG2 3.07Å; M94-V98 PolarHBondContact O-N 3.4Å; M94-I106 HydrophobicContact CB-CD1 3.96Å; M94-I106 HydrophobicContact CE-CD1 3.56Å; M94-I106 HydrophobicContact CE-CG2 4.12Å; M94-I106 HydrophobicContact CG-CD1 4.04Å; M94-I106 HydrophobicContact CG-CG2 4.16Å; M94-I106 HydrophobicContact SD-CG2 4.46Å; M94-I108 HydrophobicContact SD-CD1 4.32Å; M94-L136 HydrophobicContact CE-CD2 3.8Å; M94-L136 HydrophobicContact SD-CD2 3.81Å; M94-F139 HydrophobicContact CB-CE1 3.96Å; M94-F139 HydrophobicContact CB-CE2 3.93Å; M94-F139 HydrophobicContact CB-CZ 3.51Å; M94-F139 HydrophobicContact CE-CD1 3.45Å; M94-F139 VanDerWaalsContact CE-CD1 3.45Å; M94-F139 HydrophobicContact CE-CD2 4.49Å; M94-F139 HydrophobicContact CE-CE1 3.67Å; M94-F139 HydrophobicContact CE-CG 3.92Å; M94-F139 HydrophobicContact CE-CZ 4.26Å; M94-V147 HydrophobicContact CE-CG2 4.22Å
95E96.8Very high92.5Very high86 Ų8649.7 Ų49.740%0.40226%0.264SS..Hα-helixtrans-60.9-43.7-179.8-174.8162.2-142.400113L91 K92 T93 G97 V98 K99 F139 K143L91-E95 PolarHBondContact O-N 2.88Å; K92-E95 WeakPolarHBondContact O-CB 3.33Å; K92-E95 PolarHBondContact O-N 3.36Å; T93-E95 VanDerWaalsContact C-N 3.34Å; T93-E95 PolarHBondContact O-N 2.88Å; E95-G97 VanDerWaalsContact C-N 3.34Å; E95-V98 PolarHBondContact O-N 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.03Å; E95-F139 HydrophobicContact CB-CE2 4.15Å; E95-K143 WeakPolarHBondContact OE1-CE 3.43Å; E95-K143 IonicContact OE1-NZ 3.78Å; E95-K143 PolarHBondContact OE1-NZ 2.8Å
96V96.1Very high93.8Very high21 Ų2148.2 Ų48.213%0.12726%0.257CS..Hα-helixtrans-65.3-38.7173.71500000111.5K92 T93 M94 V98 K99 D100 V241 Y243K92-V96 PolarHBondContact O-N 3.3Å; K92-V96 VanDerWaalsContact O-N 3.17Å; T93-V96 PolarHBondContact O-N 2.88Å; M94-V96 PolarHBondContact O-N 3.27Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 2.8Å; V96-K99 PolarHBondContact O-N 3.5Å; V96-D100 HydrophobicContact CG1-CB 4.45Å; V96-D100 WeakPolarHBondContact O-CB 3.45Å; V96-D100 PolarHBondContact O-N 3.22Å; V96-V241 HydrophobicContact CG1-CG1 3.75Å; V96-Y243 HydrophobicContact CB-CE1 4.06Å; V96-Y243 HydrophobicContact CB-CE2 4.23Å; V96-Y243 WeakPolarHBondContact CB-OH 3.46Å; V96-Y243 HydrophobicContact CG2-CD1 4.11Å; V96-Y243 HydrophobicContact CG2-CE1 3.17Å; V96-Y243 HydrophobicContact CG2-CE2 4.22Å; V96-Y243 WeakPolarHBondContact CG2-OH 3.49Å
97G96.6Very high94.7Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-57.5-45.1174.700000112.4T93 M94 E95 S101 G102 V103T93-G97 PolarHBondContact O-N 2.83Å; M94-G97 PolarHBondContact O-N 2.97Å; M94-G97 VanDerWaalsContact O-N 3.15Å; E95-G97 VanDerWaalsContact C-N 3.34Å; G97-S101 CarbonylContact O-C 3.56Å; G97-S101 WeakPolarHBondContact O-CA 3.37Å; G97-S101 VanDerWaalsContact O-CB 3.29Å; G97-S101 WeakPolarHBondContact O-CB 3.15Å; G97-S101 PolarHBondContact O-N 2.97Å; G97-S101 VanDerWaalsContact O-N 3.08Å; G97-G102 PolarHBondContact O-N 2.77Å; G97-V103 WeakPolarHBondContact O-CB 3.28Å; G97-V103 VanDerWaalsContact O-CG2 3.23Å; G97-V103 WeakPolarHBondContact O-CG2 3.28Å; G97-V103 PolarHBondContact O-N 3.34Å; G97-V103 VanDerWaalsContact O-N 3.17Å
98V97.8Very high95.3Very high32 Ų3244.8 Ų44.819%0.19424%0.235CC..Hα-helixtrans-65.2-49.1176.91780000110.9M94 E95 V96 G102 V103 I106 F139 K143 T145M94-V98 WeakPolarHBondContact O-CG2 3.07Å; M94-V98 PolarHBondContact O-N 3.4Å; E95-V98 PolarHBondContact O-N 3.32Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 2.8Å; V98-G102 VanDerWaalsContact O-CA 3.27Å; V98-G102 WeakPolarHBondContact O-CA 3.17Å; V98-G102 PolarHBondContact O-N 2.86Å; V98-G102 VanDerWaalsContact O-N 3.14Å; V98-V103 HydrophobicContact CG2-CB 4.45Å; V98-I106 HydrophobicContact CG2-CD1 4.46Å; V98-F139 HydrophobicContact CG2-CE1 4.13Å; V98-F139 HydrophobicContact CG2-CZ 3.99Å; V98-K143 HydrophobicContact CG1-CB 4.35Å; V98-K143 HydrophobicContact CG2-CB 4.5Å; V98-T145 HydrophobicContact CG1-CG2 4.42Å; V98-T145 HydrophobicContact CG2-CG2 3.62Å
99K96.2Very high95.6Very high167 Ų16739.9 Ų39.973%0.72621%0.205SC*.Hα-helixtrans-69.1-46.2-173.6-174.1-172.6172.2-170.40113E95 V96E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.03Å; V96-K99 PolarHBondContact O-N 3.5Å
100D95.2Very high95.5Very high107 Ų10735.5 Ų35.557%0.57218%0.184SC*.Hα-helixtrans-98.8-27.8-167.3-61-6.9000112V96V96-D100 HydrophobicContact CG1-CB 4.45Å; V96-D100 WeakPolarHBondContact O-CB 3.45Å; V96-D100 PolarHBondContact O-N 3.22Å
101S94.5Very high95.1Very high32 Ų3235.5 Ų35.522%0.22418%0.184CC..Hα-helixtrans-112.70.4-179.2-57.80000113.9G97 V103G97-S101 CarbonylContact O-C 3.56Å; G97-S101 WeakPolarHBondContact O-CA 3.37Å; G97-S101 VanDerWaalsContact O-CB 3.29Å; G97-S101 WeakPolarHBondContact O-CB 3.15Å; G97-S101 PolarHBondContact O-N 2.97Å; G97-S101 VanDerWaalsContact O-N 3.08Å; S101-V103 PolarHBondContact O-N 3.23Å
102G96.6Very high94.5Very high40 Ų4035.8 Ų35.841%0.41219%0.185SC..  trans62.530.4-179.200000113.2P29 G97 V98 E104P29-G102 WeakPolarHBondContact CG-O 3.41Å; G97-G102 PolarHBondContact O-N 2.77Å; V98-G102 VanDerWaalsContact O-CA 3.27Å; V98-G102 WeakPolarHBondContact O-CA 3.17Å; V98-G102 PolarHBondContact O-N 2.86Å; V98-G102 VanDerWaalsContact O-N 3.14Å; G102-E104 PolarHBondContact O-N 2.83Å
103V98.2Very high93.8Very high3 Ų335.4 Ų35.42%0.01818%0.183CC..  trans-59.6126.8-178.4168.80000111L31 Y77 G97 V98 S101 H105 I106 T145L31-V103 HydrophobicContact CB-CB 4.39Å; L31-V103 HydrophobicContact CB-CG1 3.62Å; L31-V103 HydrophobicContact CB-CG2 3.88Å; Y77-V103 HydrophobicContact CD2-CG2 4.16Å; G97-V103 WeakPolarHBondContact O-CB 3.28Å; G97-V103 VanDerWaalsContact O-CG2 3.23Å; G97-V103 WeakPolarHBondContact O-CG2 3.28Å; G97-V103 PolarHBondContact O-N 3.34Å; G97-V103 VanDerWaalsContact O-N 3.17Å; V98-V103 HydrophobicContact CG2-CB 4.45Å; S101-V103 PolarHBondContact O-N 3.23Å; V103-H105 VanDerWaalsContact CG1-O 3.27Å; V103-H105 WeakPolarHBondContact CG1-O 3.46Å; V103-I106 HydrophobicContact CG1-CD1 4.37Å; V103-I106 HydrophobicContact CG1-CG1 3.67Å; V103-T145 WeakPolarHBondContact O-CG2 3.26Å
104E98.3Very high92.9Very high112 Ų11235.6 Ų35.652%0.52318%0.184SC..  trans-108.5-27.3177.3-69.1178.8-155.400112.2V28 P29 G102 T145 H146V28-E104 HydrophobicContact CG1-CB 3.96Å; P29-E104 PolarHBondContact O-N 2.93Å; G102-E104 PolarHBondContact O-N 2.83Å; E104-T145 CarbonylContact O-C 3.59Å; E104-T145 WeakPolarHBondContact O-CA 3.27Å; E104-T145 WeakPolarHBondContact O-CB 3.41Å; E104-H146 PolarHBondContact O-N 2.58Å
105H98.7Very high91.9Very high2 Ų236.6 Ų36.61%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-121.6133.9179174.8-131.4000111.3Y19 V28 P29 T30 L31 V103 V107 H146 T148Y19-H105 AromaticContact CE1-CE1 3.84Å; Y19-H105 AromaticContact CE1-NE2 3.89Å; V28-H105 HydrophobicContact CG1-CB 3.86Å; P29-H105 PolarHBondContact O-N 3.39Å; P29-H105 VanDerWaalsContact O-N 3.09Å; T30-H105 CarbonylContact C-O 3.5Å; T30-H105 WeakPolarHBondContact CA-O 3.38Å; T30-H105 HydrophobicContact CG2-CB 4.38Å; T30-H105 VanDerWaalsContact CG2-ND1 3.32Å; T30-H105 WeakPolarHBondContact CG2-ND1 3.36Å; T30-H105 PolarHBondContact OG1-ND1 3.25Å; L31-H105 PolarHBondContact N-O 2.87Å; V103-H105 VanDerWaalsContact CG1-O 3.27Å; V103-H105 WeakPolarHBondContact CG1-O 3.46Å; H105-V107 VanDerWaalsContact CE1-CG2 3.42Å; H105-V107 WeakPolarHBondContact CE1-CG2 3.23Å; H105-H146 CarbonylContact C-O 3.58Å; H105-H146 VanDerWaalsContact CA-O 3.32Å; H105-H146 WeakPolarHBondContact CA-O 3.27Å; H105-H146 AromaticContact CD2-CD2 3.65Å; H105-H146 PolarHBondContact CD2-O 3.17Å; H105-T148 PolarHBondContact NE2-OG1 2.86Å
106I98.4Very high90.4Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-125.8127.6-179.8-55.9173.8000109.2L31 M79 M94 V98 V103 I108 F139 H146 V147 T148L31-I106 HydrophobicContact CB-CG1 4.39Å; L31-I106 CarbonylContact O-C 3.49Å; L31-I106 WeakPolarHBondContact O-CA 3.25Å; M79-I106 HydrophobicContact CE-CG2 4.13Å; M94-I106 HydrophobicContact CB-CD1 3.96Å; M94-I106 HydrophobicContact CE-CD1 3.56Å; M94-I106 HydrophobicContact CE-CG2 4.12Å; M94-I106 HydrophobicContact CG-CD1 4.04Å; M94-I106 HydrophobicContact CG-CG2 4.16Å; M94-I106 HydrophobicContact SD-CG2 4.46Å; V98-I106 HydrophobicContact CG2-CD1 4.46Å; V103-I106 HydrophobicContact CG1-CD1 4.37Å; V103-I106 HydrophobicContact CG1-CG1 3.67Å; I106-I108 HydrophobicContact CG2-CD1 4.01Å; I106-I108 HydrophobicContact CG2-CG1 4.35Å; I106-F139 HydrophobicContact CD1-CD1 4.39Å; I106-F139 HydrophobicContact CD1-CE1 3.66Å; I106-F139 HydrophobicContact CD1-CZ 4.41Å; I106-H146 PolarHBondContact N-O 3.25Å; I106-V147 HydrophobicContact CB-CG2 4.31Å; I106-V147 CarbonylContact O-C 3.58Å; I106-V147 WeakPolarHBondContact O-CA 3.42Å; I106-T148 PolarHBondContact O-N 3.15Å
107V97.9Very high88.5Confident0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-104127.4174.1-179.40000109.8M16 T30 L31 W32 G33 H105 D109 T148M16-V107 HydrophobicContact CG-CG1 3.49Å; M16-V107 VanDerWaalsContact CG-CG1 3.49Å; M16-V107 HydrophobicContact CG-CG2 4.43Å; M16-V107 HydrophobicContact SD-CG1 3.99Å; M16-V107 HydrophobicContact SD-CG2 4.5Å; T30-V107 HydrophobicContact CG2-CG2 4.23Å; L31-V107 PolarHBondContact O-N 3.38Å; W32-V107 HydrophobicContact CD2-CB 3.86Å; W32-V107 HydrophobicContact CD2-CG1 3.92Å; W32-V107 HydrophobicContact CD2-CG2 4.31Å; W32-V107 HydrophobicContact CE3-CB 4.08Å; W32-V107 HydrophobicContact CE3-CG1 3.67Å; W32-V107 HydrophobicContact CG-CB 4.27Å; W32-V107 HydrophobicContact CH2-CG1 3.74Å; W32-V107 HydrophobicContact CZ2-CB 4.32Å; W32-V107 HydrophobicContact CZ2-CG1 3.92Å; W32-V107 HydrophobicContact CZ2-CG2 4.17Å; W32-V107 HydrophobicContact CZ3-CB 4.44Å; W32-V107 HydrophobicContact CZ3-CG1 3.59Å; G33-V107 PolarHBondContact N-O 3.27Å; H105-V107 VanDerWaalsContact CE1-CG2 3.42Å; H105-V107 WeakPolarHBondContact CE1-CG2 3.23Å; V107-D109 HydrophobicContact CG1-CB 4.41Å; V107-T148 WeakPolarHBondContact CA-O 3.38Å
108I95.1Very high86.2Confident0 Ų038.8 Ų38.80%023%0.231CC..EExtended strand (participates in β ladder)trans-114.9104.1173.4-58.3-61.2000108.7F35 M79 V90 M94 I106 L114 V147 T148 I149 V150F35-I108 HydrophobicContact CD2-CG2 4.44Å; F35-I108 HydrophobicContact CE2-CD1 4.26Å; F35-I108 HydrophobicContact CE2-CG2 4.13Å; M79-I108 HydrophobicContact CE-CD1 4.2Å; V90-I108 HydrophobicContact CG1-CD1 4.19Å; M94-I108 HydrophobicContact SD-CD1 4.32Å; I106-I108 HydrophobicContact CG2-CD1 4.01Å; I106-I108 HydrophobicContact CG2-CG1 4.35Å; I108-L114 HydrophobicContact CG2-CD1 3.46Å; I108-L114 VanDerWaalsContact CG2-CD1 3.46Å; I108-V147 HydrophobicContact CG1-CG1 4.24Å; I108-T148 PolarHBondContact N-O 2.66Å; I108-I149 HydrophobicContact CB-CG1 4.46Å; I108-I149 HydrophobicContact CB-CG2 4.46Å; I108-I149 HydrophobicContact CG2-CG2 4.49Å; I108-V150 PolarHBondContact O-N 2.81Å
109D92.9Very high84Confident0 Ų045.3 Ų45.30%026%0.264CS..EExtended strand (participates in β ladder)trans-124.1101.8-176.7-168.910.8000112.4T13 W32 G33 S34 F35 E36 V107 V150T13-D109 WeakPolarHBondContact CB-OD2 3.43Å; T13-D109 WeakPolarHBondContact CG2-OD2 3.43Å; T13-D109 PolarHBondContact OG1-OD2 3.38Å; W32-D109 HydrophobicContact CZ3-CB 3.98Å; G33-D109 PolarHBondContact O-N 3.4Å; S34-D109 CarbonylContact C-O 3.58Å; S34-D109 WeakPolarHBondContact CA-O 3.45Å; F35-D109 PolarHBondContact N-O 3.31Å; E36-D109 PolarHBondContact N-O 3.32Å; V107-D109 HydrophobicContact CG1-CB 4.41Å; D109-V150 HydrophobicContact CB-CB 4.23Å; D109-V150 HydrophobicContact CB-CG2 3.93Å; D109-V150 WeakPolarHBondContact OD1-CB 3.3Å; D109-V150 WeakPolarHBondContact OD1-CG1 3.47Å
110N85.9Confident81.9Confident0 Ų038.5 Ų38.50%024%0.242CC..  cis-122.2164.8-0.684.327.6000110.9E36 Q112 F113 V150 H152E36-N110 PolarHBondContact OE2-ND2 3.42Å; N110-Q112 VanDerWaalsContact C-N 3.32Å; N110-Q112 PolarHBondContact O-N 3.09Å; N110-Q112 VanDerWaalsContact OD1-CA 3.27Å; N110-Q112 WeakPolarHBondContact OD1-CA 3.42Å; N110-Q112 VanDerWaalsContact OD1-CB 3.26Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.32Å; N110-Q112 PolarHBondContact OD1-N 3.47Å; N110-Q112 PolarHBondContact OD1-OE1 3.09Å; N110-F113 WeakPolarHBondContact ND2-CD2 3.27Å; N110-F113 PolarHBondContact O-N 3.21Å; N110-F113 VanDerWaalsContact OD1-CD2 3.27Å; N110-F113 WeakPolarHBondContact OD1-CD2 3.41Å; N110-F113 PolarHBondContact OD1-N 2.91Å; N110-V150 WeakPolarHBondContact CA-O 3.35Å; N110-V150 HydrophobicContact CB-CB 4.21Å; N110-V150 HydrophobicContact CB-CG1 4.23Å; N110-V150 WeakPolarHBondContact CB-O 3.29Å; N110-H152 PolarHBondContact ND2-CE1 3.1Å; N110-H152 PolarHBondContact ND2-NE2 3.08Å
111L83.1Confident80.1Confident0 Ų036.3 Ų36.30%024%0.238CC..Hα-helixtrans-61.3-37.5179.5-173.565000113.1F113 L114 L115 Q129 F132 I133 I149 V150 I173L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.41Å; L111-L114 PolarHBondContact O-N 3.22Å; L111-L115 HydrophobicContact CG-CD1 4.35Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 3.31Å; L111-Q129 HydrophobicContact CD2-CG 3.69Å; L111-Q129 HydrophobicContact CG-CG 4.4Å; L111-F132 HydrophobicContact CD1-CB 4.21Å; L111-F132 HydrophobicContact CD1-CD1 4.4Å; L111-I133 HydrophobicContact CD2-CD1 3.76Å; L111-I133 HydrophobicContact CD2-CG1 4.04Å; L111-I149 HydrophobicContact CB-CG2 3.87Å; L111-I149 HydrophobicContact CD1-CG2 4.38Å; L111-I149 HydrophobicContact CD2-CG2 4.34Å; L111-I149 HydrophobicContact CG-CG2 4.44Å; L111-V150 PolarHBondContact N-O 3.23Å; L111-I173 HydrophobicContact CD2-CD1 3.94Å
112Q81.6Confident78.6Confident40 Ų4040.9 Ų40.919%0.18725%0.254CS..Hα-helixtrans-62.9-33.6-178.6-71.472.418.400113.2N110 H152N110-Q112 VanDerWaalsContact C-N 3.32Å; N110-Q112 PolarHBondContact O-N 3.09Å; N110-Q112 VanDerWaalsContact OD1-CA 3.27Å; N110-Q112 WeakPolarHBondContact OD1-CA 3.42Å; N110-Q112 VanDerWaalsContact OD1-CB 3.26Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.32Å; N110-Q112 PolarHBondContact OD1-N 3.47Å; N110-Q112 PolarHBondContact OD1-OE1 3.09Å; Q112-H152 HydrophobicContact CG-CB 4.21Å; Q112-H152 PolarHBondContact NE2-O 2.81Å
113F78.8Confident77Confident97 Ų9744.4 Ų44.443%0.42526%0.263SS..Hα-helixtrans-73.1-35176.3-80.3-88.9000112.3F35 E36 N110 L111 L115 G116F35-F113 HydrophobicContact CB-CB 3.93Å; E36-F113 HydrophobicContact CB-CD2 3.44Å; E36-F113 VanDerWaalsContact CB-CD2 3.44Å; E36-F113 HydrophobicContact CB-CE2 3.46Å; E36-F113 VanDerWaalsContact CB-CE2 3.46Å; E36-F113 HydrophobicContact CB-CG 4.15Å; E36-F113 HydrophobicContact CB-CZ 4.13Å; E36-F113 HydrophobicContact CG-CD2 3.83Å; E36-F113 HydrophobicContact CG-CE2 3.25Å; E36-F113 HydrophobicContact CG-CZ 3.69Å; N110-F113 WeakPolarHBondContact ND2-CD2 3.27Å; N110-F113 PolarHBondContact O-N 3.21Å; N110-F113 VanDerWaalsContact OD1-CD2 3.27Å; N110-F113 WeakPolarHBondContact OD1-CD2 3.41Å; N110-F113 PolarHBondContact OD1-N 2.91Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.41Å; F113-L115 VanDerWaalsContact C-N 3.29Å; F113-L115 PolarHBondContact O-N 2.86Å; F113-G116 PolarHBondContact O-N 2.83Å
114L75.3Confident75.7Confident9 Ų948.5 Ų48.55%0.04728%0.282CS..Hα-helixtrans-64.7-32.4176-76.5180000113.4F35 Q85 V90 I108 L111 G116 F132F35-L114 HydrophobicContact CB-CD2 4.42Å; F35-L114 HydrophobicContact CB-CG 4.48Å; F35-L114 HydrophobicContact CD1-CD2 3.5Å; F35-L114 VanDerWaalsContact CD1-CD2 3.5Å; F35-L114 HydrophobicContact CD1-CG 4.31Å; F35-L114 HydrophobicContact CD2-CD1 3.9Å; F35-L114 HydrophobicContact CD2-CD2 3.67Å; F35-L114 HydrophobicContact CD2-CG 3.63Å; F35-L114 HydrophobicContact CE1-CD2 3.54Å; F35-L114 HydrophobicContact CE2-CD1 3.75Å; F35-L114 HydrophobicContact CE2-CD2 3.72Å; F35-L114 HydrophobicContact CE2-CG 3.89Å; F35-L114 HydrophobicContact CG-CD2 3.57Å; F35-L114 HydrophobicContact CG-CG 3.87Å; F35-L114 HydrophobicContact CZ-CD1 4.32Å; F35-L114 HydrophobicContact CZ-CD2 3.66Å; F35-L114 HydrophobicContact CZ-CG 4.34Å; Q85-L114 HydrophobicContact CB-CD2 4.38Å; V90-L114 HydrophobicContact CG2-CD2 3.76Å; I108-L114 HydrophobicContact CG2-CD1 3.46Å; I108-L114 VanDerWaalsContact CG2-CD1 3.46Å; L111-L114 PolarHBondContact O-N 3.22Å; L114-G116 PolarHBondContact O-N 2.81Å; L114-F132 HydrophobicContact CB-CD1 4.37Å; L114-F132 HydrophobicContact CB-CE1 3.8Å; L114-F132 HydrophobicContact CB-CZ 4.4Å; L114-F132 HydrophobicContact CD1-CD1 4.44Å; L114-F132 HydrophobicContact CD1-CE1 4.18Å; L114-F132 HydrophobicContact CG-CE1 4.48Å
115L75.7Confident74.5Confident20 Ų2048.2 Ų48.211%0.10528%0.276CS..THydrogen-bonded Turntrans-73.6-13.1179-62.2170.9000113.2L111 F113 R128 Q129 F132L111-L115 HydrophobicContact CG-CD1 4.35Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 3.31Å; F113-L115 VanDerWaalsContact C-N 3.29Å; F113-L115 PolarHBondContact O-N 2.86Å; L115-R128 HydrophobicContact CD2-CB 3.88Å; L115-Q129 HydrophobicContact CD1-CB 3.58Å; L115-Q129 HydrophobicContact CD1-CG 3.79Å; L115-Q129 HydrophobicContact CD2-CB 4.29Å; L115-F132 HydrophobicContact CD2-CB 4.31Å; L115-F132 HydrophobicContact CD2-CD2 3.64Å; L115-F132 HydrophobicContact CD2-CE2 3.99Å; L115-F132 HydrophobicContact CD2-CG 3.93Å
116G66.1Low73.4Confident25 Ų2549.6 Ų49.626%0.25828%0.282SS..  trans72.3156.4-176.800000113.2F113 L114 G118F113-G116 PolarHBondContact O-N 2.83Å; L114-G116 PolarHBondContact O-N 2.81Å; G116-G118 PolarHBondContact O-N 3.28Å
117A54.8Low72.5Confident88 Ų8855.7 Ų55.773%0.72731%0.31SS*.  trans-8312.7177.500000113.7R125A117-R125 PolarHBondContact O-NH2 3.49Å
118G49.7Very low71.7Confident40 Ų4061.6 Ų61.641%0.41233%0.333SS..  trans-52.9140.9-170.500000113.1G116 G120 R125G116-G118 PolarHBondContact O-N 3.28Å; G118-G120 PolarHBondContact O-N 2.82Å; G118-R125 PolarHBondContact O-NE 3.3Å; G118-R125 PolarHBondContact O-NH2 2.87Å
119D51.4Low71.2Confident169 Ų16962 Ų6290%0.90434%0.335SS*.  trans-63.28.4-179.2-72.4-33.8000114.7
120G52.4Low70.8Confident25 Ų2563.6 Ų63.626%0.25834%0.343SS..  trans-56.5140.517300000111.3G118 E124G118-G120 PolarHBondContact O-N 2.82Å; G120-E124 VanDerWaalsContact CA-OE2 3.3Å; G120-E124 WeakPolarHBondContact CA-OE2 3.16Å
121A57.3Low70.9Confident60 Ų6067.9 Ų67.950%0.49636%0.363SS..  trans-51150.6179.500000111.2I123 E124 R125A121-I123 PolarHBondContact O-N 2.79Å; A121-E124 WeakPolarHBondContact O-CB 3.37Å; A121-E124 PolarHBondContact O-N 2.82Å; A121-R125 PolarHBondContact O-N 2.99Å
122F63.1Low71.1Confident128 Ų12868.8 Ų68.856%0.56137%0.367SS*.Hα-helixtrans-47.2-35180-174.3-124.1000113.8R125 F126F122-R125 PolarHBondContact O-N 2.91Å; F122-F126 HydrophobicContact CD1-CD2 4.08Å; F122-F126 AromaticContact CD1-CE2 3.35Å; F122-F126 HydrophobicContact CD1-CE2 3.35Å; F122-F126 HydrophobicContact CD1-CZ 4.09Å; F122-F126 HydrophobicContact CD2-CE2 4.07Å; F122-F126 HydrophobicContact CD2-CZ 4.24Å; F122-F126 HydrophobicContact CE1-CD2 4.17Å; F122-F126 AromaticContact CE1-CE2 3.04Å; F122-F126 HydrophobicContact CE1-CE2 3.04Å; F122-F126 AromaticContact CE1-CZ 3.41Å; F122-F126 HydrophobicContact CE1-CZ 3.41Å; F122-F126 VanDerWaalsContact CE1-CZ 3.41Å; F122-F126 HydrophobicContact CE2-CE1 4.31Å; F122-F126 AromaticContact CE2-CE2 3.77Å; F122-F126 HydrophobicContact CE2-CE2 3.77Å; F122-F126 AromaticContact CE2-CZ 3.53Å; F122-F126 HydrophobicContact CE2-CZ 3.53Å; F122-F126 HydrophobicContact CG-CD2 4.37Å; F122-F126 AromaticContact CG-CE2 3.89Å; F122-F126 HydrophobicContact CG-CE2 3.89Å; F122-F126 HydrophobicContact CG-CZ 4.49Å; F122-F126 HydrophobicContact CZ-CD2 4.47Å; F122-F126 HydrophobicContact CZ-CE1 4.19Å; F122-F126 AromaticContact CZ-CE2 3.28Å; F122-F126 HydrophobicContact CZ-CE2 3.28Å; F122-F126 AromaticContact CZ-CZ 3.07Å; F122-F126 HydrophobicContact CZ-CZ 3.07Å; F122-F126 VanDerWaalsContact O-CD2 3.26Å; F122-F126 WeakPolarHBondContact O-CD2 3.36Å; F122-F126 PolarHBondContact O-N 2.85Å
123I61.8Low71.6Confident114 Ų11466.9 Ų66.959%0.58536%0.358SS*.Hα-helixtrans-62.1-44.2176.1-62.4173.6000111.8A121 R125 F126 Q127A121-I123 PolarHBondContact O-N 2.79Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.82Å; I123-F126 PolarHBondContact O-N 2.89Å; I123-Q127 WeakPolarHBondContact O-CG 3.4Å; I123-Q127 PolarHBondContact O-N 3.46Å; I123-Q127 VanDerWaalsContact O-N 3.08Å
124E71.4Confident72.2Confident89 Ų8967 Ų6742%0.41636%0.36SS..Hα-helixtrans-65.4-37.9179.5-65.5-176.6178.500111.7G120 A121 F126 Q127 R128G120-E124 VanDerWaalsContact CA-OE2 3.3Å; G120-E124 WeakPolarHBondContact CA-OE2 3.16Å; A121-E124 WeakPolarHBondContact O-CB 3.37Å; A121-E124 PolarHBondContact O-N 2.82Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 2.86Å; E124-Q127 PolarHBondContact O-N 3.29Å; E124-R128 WeakPolarHBondContact O-CB 3.48Å; E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 2.78Å
125R72.5Confident73.1Confident107 Ų10771 Ų7140%0.40438%0.377SS..Hα-helixtrans-62-40.9177-67.4-172.6179.9-162.11.2111.6A117 G118 A121 F122 I123 Q129A117-R125 PolarHBondContact O-NH2 3.49Å; G118-R125 PolarHBondContact O-NE 3.3Å; G118-R125 PolarHBondContact O-NH2 2.87Å; A121-R125 PolarHBondContact O-N 2.99Å; F122-R125 PolarHBondContact O-N 2.91Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.82Å; R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 PolarHBondContact O-N 3.18Å
126F75.4Confident73.9Confident30 Ų3070 Ų7013%0.13237%0.372CS..Hα-helixtrans-67.1-44.8176.1-71-51.2000113.1F122 I123 E124 R128 Q129 D130 Y168F122-F126 HydrophobicContact CD1-CD2 4.08Å; F122-F126 AromaticContact CD1-CE2 3.35Å; F122-F126 HydrophobicContact CD1-CE2 3.35Å; F122-F126 HydrophobicContact CD1-CZ 4.09Å; F122-F126 HydrophobicContact CD2-CE2 4.07Å; F122-F126 HydrophobicContact CD2-CZ 4.24Å; F122-F126 HydrophobicContact CE1-CD2 4.17Å; F122-F126 AromaticContact CE1-CE2 3.04Å; F122-F126 HydrophobicContact CE1-CE2 3.04Å; F122-F126 AromaticContact CE1-CZ 3.41Å; F122-F126 HydrophobicContact CE1-CZ 3.41Å; F122-F126 VanDerWaalsContact CE1-CZ 3.41Å; F122-F126 HydrophobicContact CE2-CE1 4.31Å; F122-F126 AromaticContact CE2-CE2 3.77Å; F122-F126 HydrophobicContact CE2-CE2 3.77Å; F122-F126 AromaticContact CE2-CZ 3.53Å; F122-F126 HydrophobicContact CE2-CZ 3.53Å; F122-F126 HydrophobicContact CG-CD2 4.37Å; F122-F126 AromaticContact CG-CE2 3.89Å; F122-F126 HydrophobicContact CG-CE2 3.89Å; F122-F126 HydrophobicContact CG-CZ 4.49Å; F122-F126 HydrophobicContact CZ-CD2 4.47Å; F122-F126 HydrophobicContact CZ-CE1 4.19Å; F122-F126 AromaticContact CZ-CE2 3.28Å; F122-F126 HydrophobicContact CZ-CE2 3.28Å; F122-F126 AromaticContact CZ-CZ 3.07Å; F122-F126 HydrophobicContact CZ-CZ 3.07Å; F122-F126 VanDerWaalsContact O-CD2 3.26Å; F122-F126 WeakPolarHBondContact O-CD2 3.36Å; F122-F126 PolarHBondContact O-N 2.85Å; I123-F126 PolarHBondContact O-N 2.89Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 2.86Å; F126-R128 VanDerWaalsContact C-N 3.3Å; F126-R128 PolarHBondContact O-N 3.49Å; F126-Q129 WeakPolarHBondContact O-CB 3.33Å; F126-Q129 PolarHBondContact O-N 3.2Å; F126-Q129 VanDerWaalsContact O-N 3.14Å; F126-D130 WeakPolarHBondContact O-CB 3.49Å; F126-D130 PolarHBondContact O-N 3.34Å; F126-Y168 AromaticContact CE1-CD1 3.92Å; F126-Y168 HydrophobicContact CE1-CD1 3.92Å; F126-Y168 HydrophobicContact CZ-CD1 4.48Å
127Q80.1Confident75.3Confident128 Ų12871.4 Ų71.460%0.59837%0.369SS*.Hα-helixtrans-61.6-41.2178.2-71.2177.1-9.500111.4I123 E124 D130 H131I123-Q127 WeakPolarHBondContact O-CG 3.4Å; I123-Q127 PolarHBondContact O-N 3.46Å; I123-Q127 VanDerWaalsContact O-N 3.08Å; E124-Q127 PolarHBondContact O-N 3.29Å; Q127-D130 PolarHBondContact O-N 3.36Å; Q127-H131 WeakPolarHBondContact O-CB 3.44Å; Q127-H131 PolarHBondContact O-N 3.36Å
128R81Confident77.3Confident125 Ų12569.7 Ų69.747%0.47236%0.355SS..Hα-helixtrans-62.7-43.3173.2-71.7-179.1-170.3-177.25.3111.7L115 E124 F126 H131 F132L115-R128 HydrophobicContact CD2-CB 3.88Å; E124-R128 WeakPolarHBondContact O-CB 3.48Å; E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 2.78Å; F126-R128 VanDerWaalsContact C-N 3.3Å; F126-R128 PolarHBondContact O-N 3.49Å; R128-H131 PolarHBondContact O-N 2.7Å; R128-F132 VanDerWaalsContact O-CD2 3.31Å; R128-F132 WeakPolarHBondContact O-CD2 3.35Å; R128-F132 PolarHBondContact O-N 2.62Å
129Q84Confident79.6Confident9 Ų968.5 Ų68.54%0.04234%0.339CS..Hα-helixtrans-60.7-48.5177.5-171.1175.6-56.700112L111 L115 R125 F126 H131 F132 I133 Y168 I173L111-Q129 HydrophobicContact CD2-CG 3.69Å; L111-Q129 HydrophobicContact CG-CG 4.4Å; L115-Q129 HydrophobicContact CD1-CB 3.58Å; L115-Q129 HydrophobicContact CD1-CG 3.79Å; L115-Q129 HydrophobicContact CD2-CB 4.29Å; R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 PolarHBondContact O-N 3.18Å; F126-Q129 WeakPolarHBondContact O-CB 3.33Å; F126-Q129 PolarHBondContact O-N 3.2Å; F126-Q129 VanDerWaalsContact O-N 3.14Å; Q129-H131 VanDerWaalsContact C-N 3.29Å; Q129-H131 PolarHBondContact O-N 2.97Å; Q129-F132 PolarHBondContact O-N 3.36Å; Q129-I133 WeakPolarHBondContact O-CB 3.49Å; Q129-I133 WeakPolarHBondContact O-CG1 3.28Å; Q129-I133 PolarHBondContact O-N 2.87Å; Q129-Y168 PolarHBondContact NE2-O 3.25Å; Q129-I173 HydrophobicContact CG-CD1 4.21Å
130D85.4Confident81.7Confident33 Ų3360.7 Ų60.718%0.17630%0.297CS..Hα-helixtrans-62.7-40.1179.8-69.5-12.6000110.3F126 Q127 I133 E134 G170 K172F126-D130 WeakPolarHBondContact O-CB 3.49Å; F126-D130 PolarHBondContact O-N 3.34Å; Q127-D130 PolarHBondContact O-N 3.36Å; D130-I133 PolarHBondContact O-N 2.77Å; D130-E134 WeakPolarHBondContact O-CB 3.25Å; D130-E134 PolarHBondContact O-N 3.29Å; D130-G170 PolarHBondContact OD1-N 2.9Å; D130-G170 PolarHBondContact OD2-N 2.83Å; D130-K172 HydrophobicContact CB-CB 3.83Å; D130-K172 HydrophobicContact CB-CG 4.1Å; D130-K172 VanDerWaalsContact CG-CB 3.48Å; D130-K172 WeakPolarHBondContact OD1-CB 3.4Å
131H87.4Confident83.8Confident89 Ų8963.9 Ų63.941%0.41231%0.312SS..Hα-helixtrans-63.7-44.2174.1-173.766.5000113.2Q127 R128 Q129 I133 E134 K135Q127-H131 WeakPolarHBondContact O-CB 3.44Å; Q127-H131 PolarHBondContact O-N 3.36Å; R128-H131 PolarHBondContact O-N 2.7Å; Q129-H131 VanDerWaalsContact C-N 3.29Å; Q129-H131 PolarHBondContact O-N 2.97Å; H131-I133 VanDerWaalsContact C-N 3.33Å; H131-I133 PolarHBondContact O-N 3.37Å; H131-E134 PolarHBondContact O-N 3.48Å; H131-K135 WeakPolarHBondContact O-CG 3.38Å; H131-K135 PolarHBondContact O-N 2.89Å
132F88.2Confident85.7Confident20 Ų2067.6 Ų67.69%0.08832%0.319CS..Hα-helixtrans-59.3-45.8175.3-98.8-109000111.2L87 L111 L114 L115 R128 Q129 K135 L136L87-F132 HydrophobicContact CB-CD1 4.44Å; L87-F132 HydrophobicContact CB-CD2 4.38Å; L87-F132 HydrophobicContact CB-CE1 3.8Å; L87-F132 HydrophobicContact CB-CE2 3.78Å; L87-F132 HydrophobicContact CB-CZ 3.47Å; L87-F132 VanDerWaalsContact CB-CZ 3.47Å; L87-F132 HydrophobicContact CD1-CD1 3.57Å; L87-F132 HydrophobicContact CD1-CE1 3.61Å; L87-F132 HydrophobicContact CD1-CG 4.05Å; L87-F132 HydrophobicContact CD1-CZ 4.17Å; L87-F132 HydrophobicContact CD2-CD1 4.38Å; L87-F132 HydrophobicContact CD2-CD2 3.88Å; L87-F132 HydrophobicContact CD2-CE2 4.09Å; L87-F132 HydrophobicContact CD2-CG 4.06Å; L87-F132 HydrophobicContact CD2-CZ 4.42Å; L87-F132 HydrophobicContact CG-CD1 4.33Å; L87-F132 HydrophobicContact CG-CD2 4.49Å; L87-F132 HydrophobicContact CG-CE1 4.15Å; L87-F132 HydrophobicContact CG-CE2 4.36Å; L87-F132 HydrophobicContact CG-CG 4.5Å; L87-F132 HydrophobicContact CG-CZ 4.2Å; L111-F132 HydrophobicContact CD1-CB 4.21Å; L111-F132 HydrophobicContact CD1-CD1 4.4Å; L114-F132 HydrophobicContact CB-CD1 4.37Å; L114-F132 HydrophobicContact CB-CE1 3.8Å; L114-F132 HydrophobicContact CB-CZ 4.4Å; L114-F132 HydrophobicContact CD1-CD1 4.44Å; L114-F132 HydrophobicContact CD1-CE1 4.18Å; L114-F132 HydrophobicContact CG-CE1 4.48Å; L115-F132 HydrophobicContact CD2-CB 4.31Å; L115-F132 HydrophobicContact CD2-CD2 3.64Å; L115-F132 HydrophobicContact CD2-CE2 3.99Å; L115-F132 HydrophobicContact CD2-CG 3.93Å; R128-F132 VanDerWaalsContact O-CD2 3.31Å; R128-F132 WeakPolarHBondContact O-CD2 3.35Å; R128-F132 PolarHBondContact O-N 2.62Å; Q129-F132 PolarHBondContact O-N 3.36Å; F132-K135 PolarHBondContact O-N 2.95Å; F132-L136 WeakPolarHBondContact O-CB 3.32Å; F132-L136 VanDerWaalsContact O-CG 3.27Å; F132-L136 WeakPolarHBondContact O-CG 3.39Å; F132-L136 PolarHBondContact O-N 3.48Å
133I90.9Very high87.4Confident0 Ų064.4 Ų64.40%031%0.305CS..Hα-helixtrans-64.6-42.9-179.2-70-78.3000111.2M1 I3 L111 Q129 D130 H131 L136 R137 I149 I173 E176M1-I133 HydrophobicContact CE-CG2 3.98Å; I3-I133 HydrophobicContact CD1-CD1 4.27Å; L111-I133 HydrophobicContact CD2-CD1 3.76Å; L111-I133 HydrophobicContact CD2-CG1 4.04Å; Q129-I133 WeakPolarHBondContact O-CB 3.49Å; Q129-I133 WeakPolarHBondContact O-CG1 3.28Å; Q129-I133 PolarHBondContact O-N 2.87Å; D130-I133 PolarHBondContact O-N 2.77Å; H131-I133 VanDerWaalsContact C-N 3.33Å; H131-I133 PolarHBondContact O-N 3.37Å; I133-L136 PolarHBondContact O-N 2.91Å; I133-R137 VanDerWaalsContact O-CB 3.29Å; I133-R137 WeakPolarHBondContact O-CB 2.9Å; I133-R137 PolarHBondContact O-N 2.85Å; I133-I149 HydrophobicContact CD1-CD1 3.72Å; I133-I173 HydrophobicContact CB-CG1 4.45Å; I133-I173 HydrophobicContact CD1-CD1 3.88Å; I133-I173 HydrophobicContact CD1-CG1 3.8Å; I133-I173 HydrophobicContact CG1-CD1 3.99Å; I133-I173 HydrophobicContact CG1-CG1 3.66Å; I133-I173 HydrophobicContact CG2-CG1 4.31Å; I133-E176 HydrophobicContact CG2-CB 3.99Å; I133-E176 HydrophobicContact CG2-CG 4.24Å
134E91.9Very high89Confident98 Ų9862.2 Ų62.246%0.45831%0.31SS..Hα-helixtrans-58.6-47.2174.7-176.4-177174.400111.3D130 H131 R137 A138D130-E134 WeakPolarHBondContact O-CB 3.25Å; D130-E134 PolarHBondContact O-N 3.29Å; H131-E134 PolarHBondContact O-N 3.48Å; E134-R137 PolarHBondContact O-N 3.33Å; E134-A138 WeakPolarHBondContact O-CB 3.47Å; E134-A138 PolarHBondContact O-N 2.91Å
135K93.6Very high90.2Very high93 Ų9358.5 Ų58.540%0.40429%0.294SS..Hα-helixtrans-66.1-42.1179.1-70.6-67.8-174.1-178.30112.8L87 L91 H131 F132 R137 A138 F139L87-K135 HydrophobicContact CD2-CB 4Å; L87-K135 HydrophobicContact CD2-CG 3.88Å; L91-K135 HydrophobicContact CD1-CB 4.16Å; H131-K135 WeakPolarHBondContact O-CG 3.38Å; H131-K135 PolarHBondContact O-N 2.89Å; F132-K135 PolarHBondContact O-N 2.95Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 3.38Å; K135-A138 PolarHBondContact O-N 2.83Å; K135-F139 WeakPolarHBondContact O-CB 3.2Å; K135-F139 PolarHBondContact O-N 2.72Å
136L94.4Very high91.5Very high1 Ų156 Ų561%0.00529%0.286CS..Hα-helixtrans-64.9-37.9175.7-70.4173.6000111.5L91 M94 F132 I133 A140 I149L91-L136 HydrophobicContact CD2-CD2 4.11Å; M94-L136 HydrophobicContact CE-CD2 3.8Å; M94-L136 HydrophobicContact SD-CD2 3.81Å; F132-L136 WeakPolarHBondContact O-CB 3.32Å; F132-L136 VanDerWaalsContact O-CG 3.27Å; F132-L136 WeakPolarHBondContact O-CG 3.39Å; F132-L136 PolarHBondContact O-N 3.48Å; I133-L136 PolarHBondContact O-N 2.91Å; L136-A140 WeakPolarHBondContact O-CB 3.17Å; L136-A140 PolarHBondContact O-N 2.82Å; L136-I149 HydrophobicContact CB-CD1 4.25Å; L136-I149 HydrophobicContact CD1-CD1 3.56Å; L136-I149 HydrophobicContact CD1-CG1 4.31Å
137R95.1Very high92.5Very high54 Ų5454.5 Ų54.520%0.20428%0.28CS..Hα-helixtrans-66.8-44.2175.3176.855.6-172.3179.4-15.1111.9M1 I133 E134 K135 A140 T141 E176 D178M1-R137 HydrophobicContact CE-CB 4.07Å; M1-R137 HydrophobicContact SD-CB 4.17Å; I133-R137 VanDerWaalsContact O-CB 3.29Å; I133-R137 WeakPolarHBondContact O-CB 2.9Å; I133-R137 PolarHBondContact O-N 2.85Å; E134-R137 PolarHBondContact O-N 3.33Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 3.38Å; R137-A140 PolarHBondContact O-N 2.88Å; R137-T141 PolarHBondContact O-N 3.1Å; R137-T141 PolarHBondContact O-OG1 2.86Å; R137-E176 HydrophobicContact CG-CB 4.43Å; R137-D178 IonicContact CZ-OD1 3.17Å; R137-D178 IonicContact CZ-OD2 3.62Å; R137-D178 IonicContact NH1-OD1 2.77Å; R137-D178 IonicContact NH1-OD2 3.76Å; R137-D178 PolarHBondContact NH1-OD2 2.82Å; R137-D178 IonicContact NH2-OD1 2.87Å; R137-D178 PolarHBondContact NH2-OD1 2.66Å; R137-D178 VanDerWaalsContact NH2-OD1 3.09Å; R137-D178 IonicContact NH2-OD2 3.09Å; R137-D178 PolarHBondContact NH2-OD2 3.14Å
138A96Very high93.4Very high52 Ų5248.5 Ų48.543%0.4325%0.252SS..Hα-helixtrans-59.3-47.8175.500000110.7E134 K135 A140 T141 E142E134-A138 WeakPolarHBondContact O-CB 3.47Å; E134-A138 PolarHBondContact O-N 2.91Å; K135-A138 PolarHBondContact O-N 2.83Å; A138-A140 PolarHBondContact O-N 3.43Å; A138-T141 PolarHBondContact O-N 3.28Å; A138-E142 WeakPolarHBondContact O-CB 3.2Å; A138-E142 PolarHBondContact O-N 3.34Å
139F97.4Very high94.1Very high15 Ų1542.6 Ų42.67%0.06623%0.23CC..Hα-helixtrans-57.7-49176.2-176.8-79.4000112.3L91 M94 E95 V98 I106 K135 T141 E142 K143L91-F139 HydrophobicContact CD2-CB 4.09Å; L91-F139 HydrophobicContact CD2-CD2 4.07Å; L91-F139 HydrophobicContact CD2-CG 4.25Å; M94-F139 HydrophobicContact CB-CE1 3.96Å; M94-F139 HydrophobicContact CB-CE2 3.93Å; M94-F139 HydrophobicContact CB-CZ 3.51Å; M94-F139 HydrophobicContact CE-CD1 3.45Å; M94-F139 VanDerWaalsContact CE-CD1 3.45Å; M94-F139 HydrophobicContact CE-CD2 4.49Å; M94-F139 HydrophobicContact CE-CE1 3.67Å; M94-F139 HydrophobicContact CE-CG 3.92Å; M94-F139 HydrophobicContact CE-CZ 4.26Å; E95-F139 HydrophobicContact CB-CE2 4.15Å; V98-F139 HydrophobicContact CG2-CE1 4.13Å; V98-F139 HydrophobicContact CG2-CZ 3.99Å; I106-F139 HydrophobicContact CD1-CD1 4.39Å; I106-F139 HydrophobicContact CD1-CE1 3.66Å; I106-F139 HydrophobicContact CD1-CZ 4.41Å; K135-F139 WeakPolarHBondContact O-CB 3.2Å; K135-F139 PolarHBondContact O-N 2.72Å; F139-T141 PolarHBondContact O-N 3.4Å; F139-E142 PolarHBondContact O-N 2.88Å; F139-K143 HydrophobicContact CD1-CB 4.43Å; F139-K143 HydrophobicContact CD1-CG 4.17Å; F139-K143 HydrophobicContact CD2-CG 4.17Å; F139-K143 HydrophobicContact CE1-CB 4.05Å; F139-K143 HydrophobicContact CE1-CG 3.81Å; F139-K143 HydrophobicContact CE2-CG 3.84Å; F139-K143 HydrophobicContact CG-CG 4.33Å; F139-K143 HydrophobicContact CZ-CB 4.3Å; F139-K143 HydrophobicContact CZ-CG 3.64Å; F139-K143 WeakPolarHBondContact O-CB 3.37Å; F139-K143 PolarHBondContact O-N 2.86Å
140A97.1Very high94.6Very high5 Ų542.1 Ų42.14%0.04123%0.228CC..Hα-helixtrans-55.7-41.1178.700000111.7L136 R137 A138 G144 T145 V147L136-A140 WeakPolarHBondContact O-CB 3.17Å; L136-A140 PolarHBondContact O-N 2.82Å; R137-A140 PolarHBondContact O-N 2.88Å; A138-A140 PolarHBondContact O-N 3.43Å; A140-G144 CarbonylContact O-C 3.59Å; A140-G144 WeakPolarHBondContact O-CA 3.47Å; A140-G144 PolarHBondContact O-N 2.81Å; A140-G144 VanDerWaalsContact O-N 3.16Å; A140-T145 WeakPolarHBondContact CB-O 3.35Å; A140-T145 PolarHBondContact O-N 3.27Å; A140-V147 HydrophobicContact CB-CB 4.38Å; A140-V147 HydrophobicContact CB-CG2 3.73Å
141T96.3Very high94.8Very high91 Ų9140.7 Ų40.756%0.55822%0.22SC*.Hα-helixtrans-72.4-46.6-179.9-51.70000111.5R137 A138 F139R137-T141 PolarHBondContact O-N 3.1Å; R137-T141 PolarHBondContact O-OG1 2.86Å; A138-T141 PolarHBondContact O-N 3.28Å; F139-T141 PolarHBondContact O-N 3.4Å
142E97.5Very high94.9Very high138 Ų13837.8 Ų37.865%0.64521%0.207SC*.Hα-helixtrans-64.6-46.1-178.2-174-163.9138.800112A138 F139A138-E142 WeakPolarHBondContact O-CB 3.2Å; A138-E142 PolarHBondContact O-N 3.34Å; F139-E142 PolarHBondContact O-N 2.88Å
143K97.1Very high94.7Very high62 Ų6237.3 Ų37.327%0.2721%0.206SC..THydrogen-bonded Turntrans-89.6-1.7-175.8-56.7-50.8-167.6-165.80113.5E95 V98 F139 T145E95-K143 WeakPolarHBondContact OE1-CE 3.43Å; E95-K143 IonicContact OE1-NZ 3.78Å; E95-K143 PolarHBondContact OE1-NZ 2.8Å; V98-K143 HydrophobicContact CG1-CB 4.35Å; V98-K143 HydrophobicContact CG2-CB 4.5Å; F139-K143 HydrophobicContact CD1-CB 4.43Å; F139-K143 HydrophobicContact CD1-CG 4.17Å; F139-K143 HydrophobicContact CD2-CG 4.17Å; F139-K143 HydrophobicContact CE1-CB 4.05Å; F139-K143 HydrophobicContact CE1-CG 3.81Å; F139-K143 HydrophobicContact CE2-CG 3.84Å; F139-K143 HydrophobicContact CG-CG 4.33Å; F139-K143 HydrophobicContact CZ-CB 4.3Å; F139-K143 HydrophobicContact CZ-CG 3.64Å; F139-K143 WeakPolarHBondContact O-CB 3.37Å; F139-K143 PolarHBondContact O-N 2.86Å; K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 HydrophobicContact CB-CG2 4.14Å; K143-T145 PolarHBondContact O-N 3.21Å
144G96.3Very high94.1Very high67 Ų6741.6 Ų41.669%0.69122%0.222SC*.THydrogen-bonded Turntrans63.331.7-177.100000113.6A140A140-G144 CarbonylContact O-C 3.59Å; A140-G144 WeakPolarHBondContact O-CA 3.47Å; A140-G144 PolarHBondContact O-N 2.81Å; A140-G144 VanDerWaalsContact O-N 3.16Å
145T97.5Very high93.1Very high12 Ų1246.5 Ų46.57%0.07424%0.242CC..  trans-104.9151.1-177.554.70000112.3V98 V103 E104 A140 K143V98-T145 HydrophobicContact CG1-CG2 4.42Å; V98-T145 HydrophobicContact CG2-CG2 3.62Å; V103-T145 WeakPolarHBondContact O-CG2 3.26Å; E104-T145 CarbonylContact O-C 3.59Å; E104-T145 WeakPolarHBondContact O-CA 3.27Å; E104-T145 WeakPolarHBondContact O-CB 3.41Å; A140-T145 WeakPolarHBondContact CB-O 3.35Å; A140-T145 PolarHBondContact O-N 3.27Å; K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 HydrophobicContact CB-CG2 4.14Å; K143-T145 PolarHBondContact O-N 3.21Å
146H98Very high91.9Very high53 Ų5344.8 Ų44.825%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-87.9119.1168.1-166.979.6000110.5T2 E104 H105 I106 T148T2-H146 WeakPolarHBondContact CB-NE2 3.4Å; T2-H146 PolarHBondContact OG1-CE1 2.79Å; T2-H146 PolarHBondContact OG1-NE2 3.4Å; E104-H146 PolarHBondContact O-N 2.58Å; H105-H146 CarbonylContact C-O 3.58Å; H105-H146 VanDerWaalsContact CA-O 3.32Å; H105-H146 WeakPolarHBondContact CA-O 3.27Å; H105-H146 AromaticContact CD2-CD2 3.65Å; H105-H146 PolarHBondContact CD2-O 3.17Å; I106-H146 PolarHBondContact N-O 3.25Å; H146-T148 PolarHBondContact CD2-OG1 3.12Å; H146-T148 PolarHBondContact NE2-OG1 3.42Å
147V98Very high90.6Very high0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-103.9121.8172.9-175.60000109.7M1 T2 M94 I106 I108 A140 I149M1-V147 CarbonylContact C-O 3.58Å; M1-V147 WeakPolarHBondContact CA-O 3.32Å; M1-V147 HydrophobicContact CG-CB 4.44Å; M1-V147 WeakPolarHBondContact CG-O 3.38Å; T2-V147 PolarHBondContact N-O 3.22Å; M94-V147 HydrophobicContact CE-CG2 4.22Å; I106-V147 HydrophobicContact CB-CG2 4.31Å; I106-V147 CarbonylContact O-C 3.58Å; I106-V147 WeakPolarHBondContact O-CA 3.42Å; I108-V147 HydrophobicContact CG1-CG1 4.24Å; A140-V147 HydrophobicContact CB-CB 4.38Å; A140-V147 HydrophobicContact CB-CG2 3.73Å; V147-I149 HydrophobicContact CG1-CD1 4.27Å; V147-I149 HydrophobicContact CG1-CG1 3.8Å
148T98Very high89.3Confident2 Ų258 Ų581%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-105.1122.2170.5-530000109.6T2 M16 H105 I106 V107 I108 H146T2-T148 HydrophobicContact CG2-CG2 4.26Å; T2-T148 CarbonylContact O-C 3.46Å; T2-T148 WeakPolarHBondContact O-CA 3.3Å; M16-T148 HydrophobicContact CE-CG2 3.85Å; M16-T148 HydrophobicContact SD-CG2 3.45Å; M16-T148 WeakPolarHBondContact SD-CG2 3.21Å; H105-T148 PolarHBondContact NE2-OG1 2.86Å; I106-T148 PolarHBondContact O-N 3.15Å; V107-T148 WeakPolarHBondContact CA-O 3.38Å; I108-T148 PolarHBondContact N-O 2.66Å; H146-T148 PolarHBondContact CD2-OG1 3.12Å; H146-T148 PolarHBondContact NE2-OG1 3.42Å
149I95.7Very high88Confident0 Ų059.2 Ų59.20%032%0.32CS..EExtended strand (participates in β ladder)trans-114.2124.1-175.5-51.7175000108.8M1 T2 I3 L4 I108 L111 I133 L136 V147M1-I149 HydrophobicContact CG-CD1 4.1Å; M1-I149 HydrophobicContact SD-CD1 3.58Å; M1-I149 VanDerWaalsContact SD-CD1 3.58Å; T2-I149 PolarHBondContact O-N 3.09Å; I3-I149 WeakPolarHBondContact CA-O 3.24Å; I3-I149 HydrophobicContact CD1-CB 3.85Å; I3-I149 HydrophobicContact CD1-CD1 4.07Å; I3-I149 HydrophobicContact CD1-CG1 4.33Å; L4-I149 PolarHBondContact N-O 2.84Å; I108-I149 HydrophobicContact CB-CG1 4.46Å; I108-I149 HydrophobicContact CB-CG2 4.46Å; I108-I149 HydrophobicContact CG2-CG2 4.49Å; L111-I149 HydrophobicContact CB-CG2 3.87Å; L111-I149 HydrophobicContact CD1-CG2 4.38Å; L111-I149 HydrophobicContact CD2-CG2 4.34Å; L111-I149 HydrophobicContact CG-CG2 4.44Å; I133-I149 HydrophobicContact CD1-CD1 3.72Å; L136-I149 HydrophobicContact CB-CD1 4.25Å; L136-I149 HydrophobicContact CD1-CD1 3.56Å; L136-I149 HydrophobicContact CD1-CG1 4.31Å; V147-I149 HydrophobicContact CG1-CD1 4.27Å; V147-I149 HydrophobicContact CG1-CG1 3.8Å
150V94.5Very high87.1Confident0 Ų065.5 Ų65.50%034%0.344CS..EExtended strand (participates in β ladder)trans-83.6125.4169.6-174.70000108.5L4 K12 M16 I108 D109 N110 L111L4-V150 HydrophobicContact CD2-CG2 4.37Å; L4-V150 WeakPolarHBondContact O-CA 3.21Å; K12-V150 HydrophobicContact CB-CG1 3.92Å; K12-V150 HydrophobicContact CD-CG1 3.82Å; M16-V150 HydrophobicContact CB-CG2 4.38Å; M16-V150 HydrophobicContact CG-CG2 4.01Å; M16-V150 HydrophobicContact SD-CG2 4.06Å; I108-V150 PolarHBondContact O-N 2.81Å; D109-V150 HydrophobicContact CB-CB 4.23Å; D109-V150 HydrophobicContact CB-CG2 3.93Å; D109-V150 WeakPolarHBondContact OD1-CB 3.3Å; D109-V150 WeakPolarHBondContact OD1-CG1 3.47Å; N110-V150 WeakPolarHBondContact CA-O 3.35Å; N110-V150 HydrophobicContact CB-CB 4.21Å; N110-V150 HydrophobicContact CB-CG1 4.23Å; N110-V150 WeakPolarHBondContact CB-O 3.29Å; L111-V150 PolarHBondContact N-O 3.23Å
151A90.9Very high86.4Confident2 Ų269.3 Ų69.32%0.01736%0.363CS..EExtended strand (participates in β ladder)trans-132.6142.817900000111.2I3 L4 S5I3-A151 HydrophobicContact CG2-CB 4.29Å; L4-A151 PolarHBondContact O-N 2.67Å; S5-A151 WeakPolarHBondContact CA-O 3.4Å; S5-A151 VanDerWaalsContact CB-O 3.25Å; S5-A151 WeakPolarHBondContact CB-O 3.46Å; S5-A151 PolarHBondContact OG-O 3.19Å
152H87.7Confident86Confident28 Ų2865.4 Ų65.413%0.1334%0.339CS..PPolyproline II helixtrans-76.8145.8168.1-65.7-177.4000110.9K12 E36 N110 Q112 Y168K12-H152 WeakPolarHBondContact CE-CD2 3.45Å; K12-H152 WeakPolarHBondContact CE-NE2 3.47Å; K12-H152 PolarHBondContact NZ-CD2 3.45Å; K12-H152 PolarHBondContact NZ-NE2 2.85Å; E36-H152 IonicContact OE2-CE1 3.46Å; E36-H152 IonicContact OE2-NE2 3.97Å; N110-H152 PolarHBondContact ND2-CE1 3.1Å; N110-H152 PolarHBondContact ND2-NE2 3.08Å; Q112-H152 HydrophobicContact CG-CB 4.21Å; Q112-H152 PolarHBondContact NE2-O 2.81Å; H152-Y168 HydrophobicContact CB-CE2 4.5Å; H152-Y168 VanDerWaalsContact O-CD2 3.23Å; H152-Y168 WeakPolarHBondContact O-CD2 3.34Å
153P84.4Confident85.4Confident11 Ų1160.7 Ų60.77%0.07132%0.321CS..BIsolated β-bridgetrans-76.4160.7168.532.9-34.3000110.3G6 L162 S166 Y168G6-P153 WeakPolarHBondContact O-CD 3.09Å; P153-L162 HydrophobicContact CB-CD1 4.26Å; P153-L162 HydrophobicContact CB-CD2 3.61Å; P153-L162 HydrophobicContact CG-CD1 4Å; P153-L162 HydrophobicContact CG-CD2 3.77Å; P153-S166 CarbonylContact C-O 3.55Å; P153-S166 VanDerWaalsContact CA-O 3.28Å; P153-S166 WeakPolarHBondContact CA-O 3.37Å; P153-S166 WeakPolarHBondContact CB-O 3.15Å; P153-Y168 WeakPolarHBondContact O-CE2 3.24Å
154R77.9Confident84.8Confident89 Ų8960.7 Ų60.734%0.33632%0.324SS..PPolyproline II helixtrans-52.4154.4164.8-67.7177.7-173.5-141.1-1.7109.9E156 S166 L167 Y168 G169R154-E156 PolarHBondContact O-N 3.15Å; R154-S166 PolarHBondContact N-O 2.65Å; R154-L167 PolarHBondContact NE-O 3.32Å; R154-Y168 VanDerWaalsContact CA-CZ 3.47Å; R154-Y168 HydrophobicContact CB-CD1 4.41Å; R154-Y168 HydrophobicContact CB-CE1 4.26Å; R154-Y168 HydrophobicContact CG-CD1 3.51Å; R154-Y168 HydrophobicContact CG-CD2 4.31Å; R154-Y168 HydrophobicContact CG-CE1 3.8Å; R154-Y168 HydrophobicContact CG-CG 3.76Å; R154-G169 PolarHBondContact NH2-O 2.65Å
155K72Confident84.1Confident201 Ų20164.1 Ų64.187%0.87433%0.326SS*.  trans-59106.6170.3-73.4-174.4178.5-179.30108.3
156E69.2Low83.3Confident57 Ų5763.6 Ų63.627%0.26632%0.323SS..PPolyproline II helixtrans-99.5161.7172.7-74.2-78.7-179.600109.4R154 R160 L162 S166R154-E156 PolarHBondContact O-N 3.15Å; E156-R160 IonicContact OE2-NH1 2.84Å; E156-L162 HydrophobicContact CG-CD2 4.17Å; E156-S166 WeakPolarHBondContact OE1-CA 3.2Å; E156-S166 WeakPolarHBondContact OE1-CB 3.45Å; E156-S166 PolarHBondContact OE1-OG 2.94Å
157E66.1Low82.2Confident149 Ų14961.5 Ų61.570%0.69631%0.313SS*.PPolyproline II helixtrans-60.6140.2171.5-71.8177.7173.800110.8G159 R160E157-G159 PolarHBondContact O-N 2.7Å; E157-R160 HydrophobicContact CB-CB 4.49Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 3.24Å; E157-R160 VanDerWaalsContact O-N 3.12Å
158I67.8Low80.7Confident184 Ų18464.3 Ų64.394%0.94432%0.324SS*.THydrogen-bonded Turntrans-60.5124.8179.4-59.6170.7000108.7
159G68.5Low78.9Confident77 Ų7764.5 Ų64.579%0.79433%0.326SS*.THydrogen-bonded Turntrans93.8-8.5179.100000114.8E157E157-G159 PolarHBondContact O-N 2.7Å
160R78.1Confident77.1Confident147 Ų14767.3 Ų67.356%0.55536%0.356SS*.PPolyproline II helixtrans-78133.3172.4-165.4177.2-178.6176.33.5110.6E156 E157E156-R160 IonicContact OE2-NH1 2.84Å; E157-R160 HydrophobicContact CB-CB 4.49Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 3.24Å; E157-R160 VanDerWaalsContact O-N 3.12Å
161L83.5Confident76Confident86 Ų8668.5 Ų68.545%0.4537%0.368SS..PPolyproline II helixtrans-67.4144.1172.9-64.1177.7000110.5Q184L161-Q184 VanDerWaalsContact CD2-OE1 3.27Å
162L86.7Confident75.6Confident8 Ų871.3 Ų71.34%0.04238%0.38CS..PPolyproline II helixtrans-71142.5179.2-63.6175000110.4P153 E156 F182 Q184P153-L162 HydrophobicContact CB-CD1 4.26Å; P153-L162 HydrophobicContact CB-CD2 3.61Å; P153-L162 HydrophobicContact CG-CD1 4Å; P153-L162 HydrophobicContact CG-CD2 3.77Å; E156-L162 HydrophobicContact CG-CD2 4.17Å; L162-F182 HydrophobicContact CB-CB 4.44Å; L162-F182 HydrophobicContact CB-CD1 3.85Å; L162-F182 HydrophobicContact CB-CD2 4.17Å; L162-F182 HydrophobicContact CB-CE1 4.09Å; L162-F182 HydrophobicContact CB-CE2 4.38Å; L162-F182 HydrophobicContact CB-CG 3.92Å; L162-F182 HydrophobicContact CB-CZ 4.38Å; L162-F182 HydrophobicContact CD1-CD1 3.87Å; L162-F182 HydrophobicContact CD1-CE1 4.42Å; L162-F182 HydrophobicContact CD1-CG 4.45Å; L162-Q184 PolarHBondContact O-NE2 3.2Å
163S85.1Confident75.5Confident40 Ų4070.1 Ų70.128%0.2837%0.374SS..  trans-127.2170.4173.472.20000109.9N165 S166 F182S163-N165 PolarHBondContact O-N 3.05Å; S163-N165 VanDerWaalsContact O-N 3.1Å; S163-N165 PolarHBondContact OG-N 3.16Å; S163-S166 PolarHBondContact N-OG 2.75Å; S163-S166 WeakPolarHBondContact O-CA 3.5Å; S163-S166 WeakPolarHBondContact O-CB 3.39Å; S163-S166 PolarHBondContact O-N 2.99Å; S163-S166 PolarHBondContact O-OG 2.94Å; S163-S166 PolarHBondContact OG-OG 2.87Å; S163-F182 VanDerWaalsContact C-CZ 3.5Å; S163-F182 WeakPolarHBondContact O-CE2 3.43Å; S163-F182 WeakPolarHBondContact O-CZ 3.23Å
164I84Confident75.6Confident62 Ų6271.2 Ų71.232%0.31838%0.382SS..G310 helixtrans-54.5-33.1175.9-64.3173000111.2S166 L167 I180 V199I164-S166 PolarHBondContact O-N 2.99Å; I164-L167 PolarHBondContact O-N 3.46Å; I164-I180 HydrophobicContact CG2-CD1 4.46Å; I164-V199 HydrophobicContact CD1-CB 4.3Å; I164-V199 HydrophobicContact CD1-CG2 4.27Å; I164-V199 HydrophobicContact CG1-CB 4Å; I164-V199 HydrophobicContact CG1-CG2 3.65Å
165N82Confident76.1Confident139 Ų13972.6 Ų72.674%0.74339%0.392SS*.G310 helixtrans-68.6-18.6177.4-61.9-25.2000113.3S163 L167S163-N165 PolarHBondContact O-N 3.05Å; S163-N165 VanDerWaalsContact O-N 3.1Å; S163-N165 PolarHBondContact OG-N 3.16Å; N165-L167 VanDerWaalsContact C-N 3.27Å; N165-L167 PolarHBondContact O-N 3.44Å
166S80.6Confident77Confident0 Ų065.1 Ų65.10%036%0.36CS..G310 helixtrans-77.7-8.8179-500000112.7P153 R154 E156 S163 I164P153-S166 CarbonylContact C-O 3.55Å; P153-S166 VanDerWaalsContact CA-O 3.28Å; P153-S166 WeakPolarHBondContact CA-O 3.37Å; P153-S166 WeakPolarHBondContact CB-O 3.15Å; R154-S166 PolarHBondContact N-O 2.65Å; E156-S166 WeakPolarHBondContact OE1-CA 3.2Å; E156-S166 WeakPolarHBondContact OE1-CB 3.45Å; E156-S166 PolarHBondContact OE1-OG 2.94Å; S163-S166 PolarHBondContact N-OG 2.75Å; S163-S166 WeakPolarHBondContact O-CA 3.5Å; S163-S166 WeakPolarHBondContact O-CB 3.39Å; S163-S166 PolarHBondContact O-N 2.99Å; S163-S166 PolarHBondContact O-OG 2.94Å; S163-S166 PolarHBondContact OG-OG 2.87Å; I164-S166 PolarHBondContact O-N 2.99Å
167L76.5Confident78.2Confident9 Ų962.4 Ų62.45%0.04735%0.348CS..BIsolated β-bridgetrans-72.4139.3176.7-67.3170.5000111.7I3 R154 I164 N165 I173 I180 F182I3-L167 HydrophobicContact CG2-CD2 4.23Å; R154-L167 PolarHBondContact NE-O 3.32Å; I164-L167 PolarHBondContact O-N 3.46Å; N165-L167 VanDerWaalsContact C-N 3.27Å; N165-L167 PolarHBondContact O-N 3.44Å; L167-I173 HydrophobicContact CD1-CG2 4.04Å; L167-I180 HydrophobicContact CD1-CD1 3.98Å; L167-I180 HydrophobicContact CD1-CG2 3.84Å; L167-F182 HydrophobicContact CD1-CZ 4.34Å; L167-F182 HydrophobicContact CD2-CE1 3.72Å; L167-F182 HydrophobicContact CD2-CZ 4.11Å; L167-F182 HydrophobicContact CG-CE1 4.08Å; L167-F182 HydrophobicContact CG-CZ 3.96Å
168Y65.9Low79.5Confident60 Ų6055.5 Ų55.524%0.23532%0.316CS..SBendtrans-62.6154.7167.7-79-75.8000110.3F126 Q129 H152 P153 R154F126-Y168 AromaticContact CE1-CD1 3.92Å; F126-Y168 HydrophobicContact CE1-CD1 3.92Å; F126-Y168 HydrophobicContact CZ-CD1 4.48Å; Q129-Y168 PolarHBondContact NE2-O 3.25Å; H152-Y168 HydrophobicContact CB-CE2 4.5Å; H152-Y168 VanDerWaalsContact O-CD2 3.23Å; H152-Y168 WeakPolarHBondContact O-CD2 3.34Å; P153-Y168 WeakPolarHBondContact O-CE2 3.24Å; R154-Y168 VanDerWaalsContact CA-CZ 3.47Å; R154-Y168 HydrophobicContact CB-CD1 4.41Å; R154-Y168 HydrophobicContact CB-CE1 4.26Å; R154-Y168 HydrophobicContact CG-CD1 3.51Å; R154-Y168 HydrophobicContact CG-CD2 4.31Å; R154-Y168 HydrophobicContact CG-CE1 3.8Å; R154-Y168 HydrophobicContact CG-CG 3.76Å
169G60.6Low80.9Confident5 Ų548 Ų485%0.05228%0.278CS..SBendtrans112157.1172.800000113.4R154 G171R154-G169 PolarHBondContact NH2-O 2.65Å; G169-G171 PolarHBondContact O-N 3.13Å
170G57.8Low82.2Confident60 Ų6044.4 Ų44.462%0.61924%0.24SC*.SBendtrans-70.530.7-177.400000114.6D130 K172D130-G170 PolarHBondContact OD1-N 2.9Å; D130-G170 PolarHBondContact OD2-N 2.83Å; G170-K172 PolarHBondContact O-N 3.1Å
171G71.3Confident83Confident25 Ų2538.8 Ų38.826%0.25822%0.22SC..SBendtrans80.8-8.8-170.200000114G169 I173 S174 Q175G169-G171 PolarHBondContact O-N 3.13Å; G171-I173 PolarHBondContact O-N 2.87Å; G171-S174 PolarHBondContact O-N 3.39Å; G171-S174 PolarHBondContact O-OG 2.91Å; G171-Q175 VanDerWaalsContact O-CG 3.32Å; G171-Q175 WeakPolarHBondContact O-CG 3.34Å; G171-Q175 PolarHBondContact O-N 2.83Å
172K82Confident83.6Confident60 Ų6034.7 Ų34.726%0.26120%0.199SC..Hα-helixtrans-62.6-40.7-178.9-160.663.2164.4162.50112.1D130 G170 S174 Q175 E176D130-K172 HydrophobicContact CB-CB 3.83Å; D130-K172 HydrophobicContact CB-CG 4.1Å; D130-K172 VanDerWaalsContact CG-CB 3.48Å; D130-K172 WeakPolarHBondContact OD1-CB 3.4Å; G170-K172 PolarHBondContact O-N 3.1Å; K172-S174 PolarHBondContact O-N 3.47Å; K172-Q175 PolarHBondContact O-N 3.39Å; K172-E176 HydrophobicContact CD-CG 3.95Å; K172-E176 WeakPolarHBondContact CE-OE1 3.36Å; K172-E176 HydrophobicContact CG-CG 3.94Å; K172-E176 IonicContact NZ-OE1 3.1Å; K172-E176 PolarHBondContact NZ-OE1 3.39Å; K172-E176 WeakPolarHBondContact O-CB 3.14Å; K172-E176 VanDerWaalsContact O-CG 3.29Å; K172-E176 WeakPolarHBondContact O-CG 3.38Å; K172-E176 PolarHBondContact O-N 3.08Å
173I86.4Confident84Confident3 Ų334.4 Ų34.42%0.01520%0.197CC..Hα-helixtrans-55.4-52.1173.9-69.3-164.1000111.6I3 L111 Q129 I133 L167 G171 Q175 E176 A177I3-I173 HydrophobicContact CD1-CG2 4.09Å; I3-I173 HydrophobicContact CG1-CG2 3.79Å; I3-I173 HydrophobicContact CG2-CG2 4.28Å; L111-I173 HydrophobicContact CD2-CD1 3.94Å; Q129-I173 HydrophobicContact CG-CD1 4.21Å; I133-I173 HydrophobicContact CB-CG1 4.45Å; I133-I173 HydrophobicContact CD1-CD1 3.88Å; I133-I173 HydrophobicContact CD1-CG1 3.8Å; I133-I173 HydrophobicContact CG1-CD1 3.99Å; I133-I173 HydrophobicContact CG1-CG1 3.66Å; I133-I173 HydrophobicContact CG2-CG1 4.31Å; L167-I173 HydrophobicContact CD1-CG2 4.04Å; G171-I173 PolarHBondContact O-N 2.87Å; I173-Q175 VanDerWaalsContact C-N 3.26Å; I173-Q175 PolarHBondContact O-N 2.87Å; I173-E176 PolarHBondContact O-N 3.36Å; I173-A177 WeakPolarHBondContact O-CB 3.11Å; I173-A177 PolarHBondContact O-N 3.08Å
174S86.4Confident84.4Confident34 Ų3432.9 Ų32.924%0.23819%0.186CC..Hα-helixtrans-69.1-27.8-17658.60000112.1G171 K172 K200G171-S174 PolarHBondContact O-N 3.39Å; G171-S174 PolarHBondContact O-OG 2.91Å; K172-S174 PolarHBondContact O-N 3.47Å; S174-K200 PolarHBondContact O-NZ 3.29Å
175Q88.1Confident84.7Confident118 Ų11834 Ų3455%0.55119%0.191SC*.Hα-helixtrans-76.2-47.2174.4-70.3175.29.200112.5G171 K172 I173 K200 R202G171-Q175 VanDerWaalsContact O-CG 3.32Å; G171-Q175 WeakPolarHBondContact O-CG 3.34Å; G171-Q175 PolarHBondContact O-N 2.83Å; K172-Q175 PolarHBondContact O-N 3.39Å; I173-Q175 VanDerWaalsContact C-N 3.26Å; I173-Q175 PolarHBondContact O-N 2.87Å; Q175-K200 PolarHBondContact O-NZ 3.49Å; Q175-R202 PolarHBondContact O-NH2 3.06Å
176E91.1Very high84.9Confident44 Ų4429.8 Ų29.821%0.20617%0.168CC..Hα-helixtrans-78-33.7-173.3-65-58156.300113.2M1 I133 R137 K172 I173 D178 R202M1-E176 HydrophobicContact CE-CB 3.81Å; I133-E176 HydrophobicContact CG2-CB 3.99Å; I133-E176 HydrophobicContact CG2-CG 4.24Å; R137-E176 HydrophobicContact CG-CB 4.43Å; K172-E176 HydrophobicContact CD-CG 3.95Å; K172-E176 WeakPolarHBondContact CE-OE1 3.36Å; K172-E176 HydrophobicContact CG-CG 3.94Å; K172-E176 IonicContact NZ-OE1 3.1Å; K172-E176 PolarHBondContact NZ-OE1 3.39Å; K172-E176 WeakPolarHBondContact O-CB 3.14Å; K172-E176 VanDerWaalsContact O-CG 3.29Å; K172-E176 WeakPolarHBondContact O-CG 3.38Å; K172-E176 PolarHBondContact O-N 3.08Å; I173-E176 PolarHBondContact O-N 3.36Å; E176-D178 PolarHBondContact O-N 3.1Å; E176-R202 PolarHBondContact O-NH1 3.4Å
177A93Very high85.1Confident0 Ų033.7 Ų33.70%020%0.196CC..  trans-61.2134.1-18000000111.8M1 I3 I173 I180 K200M1-A177 HydrophobicContact CE-CB 4.43Å; I3-A177 HydrophobicContact CD1-CB 4.5Å; I3-A177 HydrophobicContact CG1-CB 3.53Å; I173-A177 WeakPolarHBondContact O-CB 3.11Å; I173-A177 PolarHBondContact O-N 3.08Å; A177-I180 HydrophobicContact CB-CD1 4.25Å; A177-I180 HydrophobicContact CB-CG1 3.79Å; A177-K200 VanDerWaalsContact O-CE 3.29Å; A177-K200 WeakPolarHBondContact O-CE 2.91Å; A177-K200 PolarHBondContact O-NZ 2.84Å
178D94.7Very high85.4Confident4 Ų437.9 Ų37.92%0.02123%0.226CC..SBendtrans-77.6-43.7171.4-57.5-47.4000109.5M1 R137 E176 R202 Y203M1-D178 PolarHBondContact N-OD2 2.81Å; M1-D178 PolarHBondContact O-N 2.84Å; R137-D178 IonicContact CZ-OD1 3.17Å; R137-D178 IonicContact CZ-OD2 3.62Å; R137-D178 IonicContact NH1-OD1 2.77Å; R137-D178 IonicContact NH1-OD2 3.76Å; R137-D178 PolarHBondContact NH1-OD2 2.82Å; R137-D178 IonicContact NH2-OD1 2.87Å; R137-D178 PolarHBondContact NH2-OD1 2.66Å; R137-D178 VanDerWaalsContact NH2-OD1 3.09Å; R137-D178 IonicContact NH2-OD2 3.09Å; R137-D178 PolarHBondContact NH2-OD2 3.14Å; E176-D178 PolarHBondContact O-N 3.1Å; D178-R202 HydrophobicContact CB-CB 4.16Å; D178-R202 VanDerWaalsContact O-CB 3.24Å; D178-R202 WeakPolarHBondContact O-CB 3.5Å; D178-R202 PolarHBondContact O-N 2.93Å; D178-R202 WeakPolarHBondContact OD1-CD 3.26Å; D178-R202 IonicContact OD1-CZ 3.76Å; D178-R202 IonicContact OD1-NE 2.83Å; D178-R202 IonicContact OD1-NH1 3.98Å; D178-R202 PolarHBondContact OD1-NH1 3.48Å; D178-Y203 HydrophobicContact CB-CE2 4.02Å
179N95.8Very high86.1Confident28 Ų2837.5 Ų37.515%0.1523%0.23CC..EExtended strand (participates in β ladder)trans-123.4142.8179.1-52.5-46.5000110.8M1 T2 I3 K200M1-N179 PolarHBondContact O-N 3.32Å; T2-N179 WeakPolarHBondContact CA-O 3.16Å; T2-N179 HydrophobicContact CG2-CB 4Å; T2-N179 PolarHBondContact OG1-ND2 2.78Å; I3-N179 PolarHBondContact N-O 2.94Å; N179-K200 CarbonylContact C-O 3.53Å; N179-K200 VanDerWaalsContact CA-O 3.25Å; N179-K200 WeakPolarHBondContact CA-O 3.25Å
180I95.8Very high87.2Confident0 Ų042.6 Ų42.60%027%0.272CS..EExtended strand (participates in β ladder)trans-131.1123.9173.1-57.8172.5000108I3 I164 L167 A177 F182 V199 K200I3-I180 HydrophobicContact CB-CG1 4.38Å; I164-I180 HydrophobicContact CG2-CD1 4.46Å; L167-I180 HydrophobicContact CD1-CD1 3.98Å; L167-I180 HydrophobicContact CD1-CG2 3.84Å; A177-I180 HydrophobicContact CB-CD1 4.25Å; A177-I180 HydrophobicContact CB-CG1 3.79Å; I180-F182 HydrophobicContact CG2-CE2 4.38Å; I180-F182 HydrophobicContact CG2-CZ 4.19Å; I180-V199 HydrophobicContact CB-CG2 3.79Å; I180-V199 HydrophobicContact CG2-CG2 3.52Å; I180-V199 WeakPolarHBondContact O-CG2 3.5Å; I180-V199 PolarHBondContact O-N 3.34Å; I180-K200 HydrophobicContact CB-CB 3.77Å; I180-K200 HydrophobicContact CD1-CB 3.94Å; I180-K200 HydrophobicContact CD1-CD 3.69Å; I180-K200 HydrophobicContact CD1-CG 4.45Å; I180-K200 HydrophobicContact CG1-CB 3.85Å; I180-K200 HydrophobicContact CG1-CD 4.02Å; I180-K200 PolarHBondContact N-O 3.4Å; I180-K200 PolarHBondContact O-N 2.92Å
181M96.7Very high88.4Confident29 Ų2946.4 Ų46.414%0.14328%0.276CS..EExtended strand (participates in β ladder)trans-122.8132.5-178.4-60.6172.76800109.7T2 I3 L4 S5 F15 I196 Q197 V198T2-M181 HydrophobicContact CG2-CG 4.4Å; T2-M181 HydrophobicContact CG2-SD 3.94Å; I3-M181 PolarHBondContact O-N 3.43Å; L4-M181 WeakPolarHBondContact CA-O 3.44Å; L4-M181 HydrophobicContact CD1-CB 4.14Å; S5-M181 PolarHBondContact N-O 3.39Å; F15-M181 HydrophobicContact CE1-CE 4.48Å; F15-M181 HydrophobicContact CZ-CE 4.32Å; M181-I196 HydrophobicContact CB-CG2 4.46Å; M181-I196 HydrophobicContact CE-CG2 3.31Å; M181-Q197 CarbonylContact C-O 3.45Å; M181-Q197 VanDerWaalsContact CA-O 3.28Å; M181-Q197 WeakPolarHBondContact CA-O 3.44Å; M181-V198 HydrophobicContact CG-CG2 4.26Å
182F95.9Very high89Confident0 Ų048.6 Ų48.60%029%0.286CS..EExtended strand (participates in β ladder)trans-107.9129.3170.7-67.6-60.6000111S5 L162 S163 L167 I180 Q184 I196 Q197 V199S5-F182 CarbonylContact O-C 3.54Å; S5-F182 VanDerWaalsContact O-CA 3.32Å; S5-F182 WeakPolarHBondContact O-CA 3.48Å; L162-F182 HydrophobicContact CB-CB 4.44Å; L162-F182 HydrophobicContact CB-CD1 3.85Å; L162-F182 HydrophobicContact CB-CD2 4.17Å; L162-F182 HydrophobicContact CB-CE1 4.09Å; L162-F182 HydrophobicContact CB-CE2 4.38Å; L162-F182 HydrophobicContact CB-CG 3.92Å; L162-F182 HydrophobicContact CB-CZ 4.38Å; L162-F182 HydrophobicContact CD1-CD1 3.87Å; L162-F182 HydrophobicContact CD1-CE1 4.42Å; L162-F182 HydrophobicContact CD1-CG 4.45Å; S163-F182 VanDerWaalsContact C-CZ 3.5Å; S163-F182 WeakPolarHBondContact O-CE2 3.43Å; S163-F182 WeakPolarHBondContact O-CZ 3.23Å; L167-F182 HydrophobicContact CD1-CZ 4.34Å; L167-F182 HydrophobicContact CD2-CE1 3.72Å; L167-F182 HydrophobicContact CD2-CZ 4.11Å; L167-F182 HydrophobicContact CG-CE1 4.08Å; L167-F182 HydrophobicContact CG-CZ 3.96Å; I180-F182 HydrophobicContact CG2-CE2 4.38Å; I180-F182 HydrophobicContact CG2-CZ 4.19Å; F182-Q184 HydrophobicContact CB-CG 3.78Å; F182-Q184 PolarHBondContact O-N 3.03Å; F182-I196 CarbonylContact O-C 3.58Å; F182-I196 WeakPolarHBondContact O-CA 3.38Å; F182-Q197 PolarHBondContact N-O 3.16Å; F182-Q197 PolarHBondContact O-N 2.8Å; F182-V199 HydrophobicContact CD2-CB 4.3Å; F182-V199 HydrophobicContact CD2-CG1 3.63Å; F182-V199 HydrophobicContact CD2-CG2 3.7Å; F182-V199 HydrophobicContact CE2-CB 4.28Å; F182-V199 HydrophobicContact CE2-CG1 3.97Å; F182-V199 HydrophobicContact CE2-CG2 3.48Å; F182-V199 VanDerWaalsContact CE2-CG2 3.48Å; F182-V199 HydrophobicContact CZ-CG2 4.4Å
183L95.4Very high89.3Confident2 Ų251.1 Ų51.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-85.8103.3164.1-176.954.4000108.4S5 V10 K12 F15 K194 I196 L212S5-L183 PolarHBondContact O-N 2.96Å; V10-L183 HydrophobicContact CG1-CB 4.13Å; V10-L183 HydrophobicContact CG1-CD2 3.81Å; V10-L183 HydrophobicContact CG1-CG 3.84Å; V10-L183 HydrophobicContact CG2-CG 4.07Å; K12-L183 HydrophobicContact CG-CD2 4.38Å; F15-L183 HydrophobicContact CB-CD2 4.09Å; L183-K194 HydrophobicContact CD1-CD 3.94Å; L183-K194 HydrophobicContact CD1-CG 3.76Å; L183-I196 HydrophobicContact CB-CD1 3.92Å; L183-I196 HydrophobicContact CD1-CD1 3.71Å; L183-I196 HydrophobicContact CD1-CG1 4.13Å; L183-I196 HydrophobicContact CG-CD1 4.34Å; L183-L212 HydrophobicContact CD1-CD1 3.44Å; L183-L212 VanDerWaalsContact CD1-CD1 3.44Å
184Q92.7Very high89.6Confident8 Ų853 Ų534%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-105.9154.6-173.6-57.6-123.535.900110.9L161 L162 F182 K194 Y195 Q197L161-Q184 VanDerWaalsContact CD2-OE1 3.27Å; L162-Q184 PolarHBondContact O-NE2 3.2Å; F182-Q184 HydrophobicContact CB-CG 3.78Å; F182-Q184 PolarHBondContact O-N 3.03Å; Q184-K194 WeakPolarHBondContact O-CA 3.13Å; Q184-Y195 HydrophobicContact CB-CD1 4.39Å; Q184-Y195 HydrophobicContact CB-CD2 4.09Å; Q184-Y195 HydrophobicContact CB-CE1 3.9Å; Q184-Y195 HydrophobicContact CB-CE2 3.56Å; Q184-Y195 HydrophobicContact CB-CG 4.48Å; Q184-Y195 VanDerWaalsContact CB-CZ 3.45Å; Q184-Y195 HydrophobicContact CG-CE2 3.87Å; Q184-Y195 PolarHBondContact N-O 3.13Å; Q184-Y195 PolarHBondContact O-N 3.28Å; Q184-Y195 VanDerWaalsContact O-N 3.08Å; Q184-Q197 HydrophobicContact CG-CB 4.49Å
185M89.6Confident89.9Confident85 Ų8552.6 Ų52.642%0.41930%0.299SS..EExtended strand (participates in β ladder)trans-130.2115.7170.1-175.4179.7-63.100108V10 P192 K193V10-M185 HydrophobicContact CG2-CB 4.37Å; V10-M185 HydrophobicContact CG2-CE 4.38Å; M185-P192 HydrophobicContact CG-CB 3.96Å; M185-P192 HydrophobicContact SD-CB 4.03Å; M185-K193 CarbonylContact C-O 3.56Å; M185-K193 WeakPolarHBondContact CA-O 3.34Å
186D87.8Confident90.3Very high51 Ų5147.3 Ų47.327%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-91112.8172.3178.88000109.1S188 P192 K193 Y195D186-S188 VanDerWaalsContact CG-OG 3.24Å; D186-S188 WeakPolarHBondContact OD1-CB 3.49Å; D186-S188 PolarHBondContact OD1-N 2.96Å; D186-S188 PolarHBondContact OD1-OG 3.47Å; D186-S188 PolarHBondContact OD2-OG 2.71Å; D186-P192 CarbonylContact O-C 3.49Å; D186-P192 VanDerWaalsContact O-CA 3.26Å; D186-P192 WeakPolarHBondContact O-CA 3.26Å; D186-K193 PolarHBondContact N-O 3.18Å; D186-K193 PolarHBondContact O-N 3.48Å; D186-Y195 HydrophobicContact CB-CE1 3.92Å
187S84.3Confident90.6Very high82 Ų8247.7 Ų47.757%0.57328%0.276SS*.  trans-99.812179-580000112.8T189S187-T189 PolarHBondContact O-N 3.46Å
188S82.7Confident90.7Very high97 Ų9749.6 Ų49.668%0.67829%0.287SS*.SBendtrans-69.9-23.1176.766.90000112.8D186D186-S188 VanDerWaalsContact CG-OG 3.24Å; D186-S188 WeakPolarHBondContact OD1-CB 3.49Å; D186-S188 PolarHBondContact OD1-N 2.96Å; D186-S188 PolarHBondContact OD1-OG 3.47Å; D186-S188 PolarHBondContact OD2-OG 2.71Å
189T81Confident90.7Very high52 Ų5250.5 Ų50.532%0.31929%0.293SS..SBendtrans-95.5153.6176.353.70000112.2S187 I191S187-T189 PolarHBondContact O-N 3.46Å; T189-I191 CarbonylContact O-C 3.6Å; T189-I191 PolarHBondContact O-N 2.86Å; T189-I191 PolarHBondContact OG1-O 3.32Å
190A82.8Confident90.7Very high113 Ų11351.2 Ų51.293%0.93430%0.295SS*.SBendtrans-53.9-31.5179.700000113.8
191I82.2Confident90.7Very high140 Ų14052.9 Ų52.972%0.71830%0.304SS*.SBendtrans-109.1114.9169-58173.3000106.6T189 K193T189-I191 CarbonylContact O-C 3.6Å; T189-I191 PolarHBondContact O-N 2.86Å; T189-I191 PolarHBondContact OG1-O 3.32Å; I191-K193 PolarHBondContact O-N 2.79Å
192P84.6Confident90.5Very high71 Ų7157.2 Ų57.246%0.46132%0.318SS..PPolyproline II helixtrans-58.5128.9177.8-25.934.3000111.3M185 D186M185-P192 HydrophobicContact CG-CB 3.96Å; M185-P192 HydrophobicContact SD-CB 4.03Å; D186-P192 CarbonylContact O-C 3.49Å; D186-P192 VanDerWaalsContact O-CA 3.26Å; D186-P192 WeakPolarHBondContact O-CA 3.26Å
193K88.6Confident90.2Very high112 Ų11265.4 Ų65.449%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-95.7129179-67.7-176.4-178.9-177.50109.9M185 D186 I191M185-K193 CarbonylContact C-O 3.56Å; M185-K193 WeakPolarHBondContact CA-O 3.34Å; D186-K193 PolarHBondContact N-O 3.18Å; D186-K193 PolarHBondContact O-N 3.48Å; I191-K193 PolarHBondContact O-N 2.79Å
194K91.9Very high90.1Very high43 Ų4370.4 Ų70.419%0.18738%0.377CS..EExtended strand (participates in β ladder)trans-102.9135.8174.7-172.6176-70.8-176.40109V10 L183 Q184 L212V10-K194 VanDerWaalsContact O-CE 3.31Å; V10-K194 WeakPolarHBondContact O-CE 3.2Å; V10-K194 PolarHBondContact O-NZ 3.16Å; L183-K194 HydrophobicContact CD1-CD 3.94Å; L183-K194 HydrophobicContact CD1-CG 3.76Å; Q184-K194 WeakPolarHBondContact O-CA 3.13Å; K194-L212 HydrophobicContact CB-CB 4.46Å; K194-L212 HydrophobicContact CD-CD1 4.49Å; K194-L212 HydrophobicContact CG-CB 4.32Å; K194-L212 HydrophobicContact CG-CD1 4.33Å; K194-L212 PolarHBondContact O-N 2.92Å
195Y94.4Very high90.1Very high26 Ų2672.3 Ų72.310%0.10240%0.399CS..EExtended strand (participates in β ladder)trans-149.4156.9178.259.7-87.2000110.9Q184 D186 Q197 C209 M210Q184-Y195 HydrophobicContact CB-CD1 4.39Å; Q184-Y195 HydrophobicContact CB-CD2 4.09Å; Q184-Y195 HydrophobicContact CB-CE1 3.9Å; Q184-Y195 HydrophobicContact CB-CE2 3.56Å; Q184-Y195 HydrophobicContact CB-CG 4.48Å; Q184-Y195 VanDerWaalsContact CB-CZ 3.45Å; Q184-Y195 HydrophobicContact CG-CE2 3.87Å; Q184-Y195 PolarHBondContact N-O 3.13Å; Q184-Y195 PolarHBondContact O-N 3.28Å; Q184-Y195 VanDerWaalsContact O-N 3.08Å; D186-Y195 HydrophobicContact CB-CE1 3.92Å; Y195-Q197 HydrophobicContact CD2-CB 4.2Å; Y195-Q197 HydrophobicContact CE2-CB 4.06Å; Y195-C209 HydrophobicContact CD2-CB 4.06Å; Y195-M210 CarbonylContact C-O 3.47Å; Y195-M210 WeakPolarHBondContact CA-O 3.41Å; Y195-M210 VanDerWaalsContact CB-O 3.25Å; Y195-M210 WeakPolarHBondContact CB-O 3.48Å
196I96.1Very high90.4Very high7 Ų772.2 Ų72.24%0.03640%0.403CS..EExtended strand (participates in β ladder)trans-94.7130.9167.5-72.3-76.5000107.8L4 F15 M181 F182 L183 C209 M210 L212L4-I196 HydrophobicContact CD1-CD1 4.06Å; F15-I196 HydrophobicContact CD1-CD1 3.95Å; F15-I196 HydrophobicContact CD2-CD1 4.01Å; F15-I196 HydrophobicContact CD2-CG1 4.08Å; F15-I196 HydrophobicContact CE1-CD1 3.65Å; F15-I196 HydrophobicContact CE1-CG1 4.29Å; F15-I196 HydrophobicContact CE2-CD1 3.74Å; F15-I196 HydrophobicContact CE2-CG1 3.53Å; F15-I196 HydrophobicContact CG-CD1 4.11Å; F15-I196 HydrophobicContact CZ-CD1 3.54Å; F15-I196 HydrophobicContact CZ-CG1 3.64Å; M181-I196 HydrophobicContact CB-CG2 4.46Å; M181-I196 HydrophobicContact CE-CG2 3.31Å; F182-I196 CarbonylContact O-C 3.58Å; F182-I196 WeakPolarHBondContact O-CA 3.38Å; L183-I196 HydrophobicContact CB-CD1 3.92Å; L183-I196 HydrophobicContact CD1-CD1 3.71Å; L183-I196 HydrophobicContact CD1-CG1 4.13Å; L183-I196 HydrophobicContact CG-CD1 4.34Å; I196-C209 CarbonylContact O-C 3.47Å; I196-C209 VanDerWaalsContact O-CA 3.28Å; I196-C209 WeakPolarHBondContact O-CA 3.34Å; I196-M210 PolarHBondContact N-O 3.35Å; I196-M210 PolarHBondContact O-N 3.42Å; I196-L212 HydrophobicContact CD1-CD1 4.3Å; I196-L212 HydrophobicContact CG1-CD1 3.59Å; I196-L212 HydrophobicContact CG1-CD2 4.26Å; I196-L212 HydrophobicContact CG1-CG 4.04Å
197Q96Very high90.7Very high52 Ų5274.7 Ų74.724%0.24342%0.416CS..EExtended strand (participates in β ladder)trans-114.8120.6173.4-175-177.127.500110M181 F182 Q184 Y195 V199 G208M181-Q197 CarbonylContact C-O 3.45Å; M181-Q197 VanDerWaalsContact CA-O 3.28Å; M181-Q197 WeakPolarHBondContact CA-O 3.44Å; F182-Q197 PolarHBondContact N-O 3.16Å; F182-Q197 PolarHBondContact O-N 2.8Å; Q184-Q197 HydrophobicContact CG-CB 4.49Å; Y195-Q197 HydrophobicContact CD2-CB 4.2Å; Y195-Q197 HydrophobicContact CE2-CB 4.06Å; Q197-V199 HydrophobicContact CG-CG1 3.71Å; Q197-V199 PolarHBondContact O-N 2.99Å; Q197-G208 CarbonylContact C-O 3.47Å; Q197-G208 WeakPolarHBondContact CA-O 3.23Å
198V96.5Very high91.2Very high40 Ų4072.5 Ų72.524%0.24241%0.406CS..EExtended strand (participates in β ladder)trans-82.2110.9167.5-176.50000107.4M181 N201 L207 G208M181-V198 HydrophobicContact CG-CG2 4.26Å; V198-N201 HydrophobicContact CG1-CB 4.11Å; V198-L207 HydrophobicContact CG1-CD2 4.42Å; V198-G208 PolarHBondContact N-O 3.39Å; V198-G208 PolarHBondContact O-N 3.39Å
199V94.9Very high91.8Very high23 Ų2371.8 Ų71.814%0.13940%0.4CS..EExtended strand (participates in β ladder)trans-103.5-16.1179.2-64.50000112.9I164 I180 F182 Q197I164-V199 HydrophobicContact CD1-CB 4.3Å; I164-V199 HydrophobicContact CD1-CG2 4.27Å; I164-V199 HydrophobicContact CG1-CB 4Å; I164-V199 HydrophobicContact CG1-CG2 3.65Å; I180-V199 HydrophobicContact CB-CG2 3.79Å; I180-V199 HydrophobicContact CG2-CG2 3.52Å; I180-V199 WeakPolarHBondContact O-CG2 3.5Å; I180-V199 PolarHBondContact O-N 3.34Å; F182-V199 HydrophobicContact CD2-CB 4.3Å; F182-V199 HydrophobicContact CD2-CG1 3.63Å; F182-V199 HydrophobicContact CD2-CG2 3.7Å; F182-V199 HydrophobicContact CE2-CB 4.28Å; F182-V199 HydrophobicContact CE2-CG1 3.97Å; F182-V199 HydrophobicContact CE2-CG2 3.48Å; F182-V199 VanDerWaalsContact CE2-CG2 3.48Å; F182-V199 HydrophobicContact CZ-CG2 4.4Å; Q197-V199 HydrophobicContact CG-CG1 3.71Å; Q197-V199 PolarHBondContact O-N 2.99Å
200K94.5Very high92.3Very high43 Ų4375.4 Ų75.419%0.18742%0.415CS..EExtended strand (participates in β ladder)trans-141.6132.7171.8-171.8-176.4-178.5-173.20108.8S174 Q175 A177 N179 I180S174-K200 PolarHBondContact O-NZ 3.29Å; Q175-K200 PolarHBondContact O-NZ 3.49Å; A177-K200 VanDerWaalsContact O-CE 3.29Å; A177-K200 WeakPolarHBondContact O-CE 2.91Å; A177-K200 PolarHBondContact O-NZ 2.84Å; N179-K200 CarbonylContact C-O 3.53Å; N179-K200 VanDerWaalsContact CA-O 3.25Å; N179-K200 WeakPolarHBondContact CA-O 3.25Å; I180-K200 HydrophobicContact CB-CB 3.77Å; I180-K200 HydrophobicContact CD1-CB 3.94Å; I180-K200 HydrophobicContact CD1-CD 3.69Å; I180-K200 HydrophobicContact CD1-CG 4.45Å; I180-K200 HydrophobicContact CG1-CB 3.85Å; I180-K200 HydrophobicContact CG1-CD 4.02Å; I180-K200 PolarHBondContact N-O 3.4Å; I180-K200 PolarHBondContact O-N 2.92Å
201N95.6Very high92.8Very high35 Ų3575.1 Ų75.119%0.18740%0.398CS..EExtended strand (participates in β ladder)trans-141111.9168.6177.1-15.1000107.5V198 Y203 D204 G205 T206 L207V198-N201 HydrophobicContact CG1-CB 4.11Å; N201-Y203 PolarHBondContact OD1-N 3.06Å; N201-D204 PolarHBondContact ND2-OD1 3.48Å; N201-D204 PolarHBondContact OD1-OD1 3.04Å; N201-G205 VanDerWaalsContact O-CA 3.27Å; N201-G205 WeakPolarHBondContact O-CA 3.18Å; N201-G205 PolarHBondContact O-N 3.13Å; N201-T206 VanDerWaalsContact CB-O 3.27Å; N201-T206 WeakPolarHBondContact CB-O 3.32Å; N201-T206 PolarHBondContact ND2-O 2.89Å; N201-L207 HydrophobicContact CB-CD2 4.46Å
202R93.2Very high93.3Very high119 Ų11969.2 Ų69.245%0.44937%0.368SS..THydrogen-bonded Turntrans-77-22.1-175.8176.8174.5-83.6155-7.8113.2Q175 E176 D178Q175-R202 PolarHBondContact O-NH2 3.06Å; E176-R202 PolarHBondContact O-NH1 3.4Å; D178-R202 HydrophobicContact CB-CB 4.16Å; D178-R202 VanDerWaalsContact O-CB 3.24Å; D178-R202 WeakPolarHBondContact O-CB 3.5Å; D178-R202 PolarHBondContact O-N 2.93Å; D178-R202 WeakPolarHBondContact OD1-CD 3.26Å; D178-R202 IonicContact OD1-CZ 3.76Å; D178-R202 IonicContact OD1-NE 2.83Å; D178-R202 IonicContact OD1-NH1 3.98Å; D178-R202 PolarHBondContact OD1-NH1 3.48Å
203Y89.9Confident93.5Very high172 Ų17272 Ų7268%0.67538%0.379SS*.THydrogen-bonded Turntrans-78.1-47.1-170.3-70-82.3000112.5D178 N201D178-Y203 HydrophobicContact CB-CE2 4.02Å; N201-Y203 PolarHBondContact OD1-N 3.06Å
204D93Very high93.7Very high107 Ų10769.9 Ų69.957%0.57237%0.37SS*.THydrogen-bonded Turntrans-132.8-2.5-177.268.4-8.5000113.4N201 T206N201-D204 PolarHBondContact ND2-OD1 3.48Å; N201-D204 PolarHBondContact OD1-OD1 3.04Å; D204-T206 PolarHBondContact O-N 3.27Å; D204-T206 WeakPolarHBondContact OD1-CB 3.31Å; D204-T206 PolarHBondContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 3.43Å; D204-T206 WeakPolarHBondContact OD2-CB 3.28Å; D204-T206 PolarHBondContact OD2-OG1 2.84Å
205G93Very high93.6Very high48 Ų4873 Ų7350%0.49538%0.38SS..  trans73.16.2-177.700000114.4N201 L207N201-G205 VanDerWaalsContact O-CA 3.27Å; N201-G205 WeakPolarHBondContact O-CA 3.18Å; N201-G205 PolarHBondContact O-N 3.13Å; G205-L207 WeakPolarHBondContact O-CG 3.47Å; G205-L207 PolarHBondContact O-N 3.47Å
206T95.4Very high93.3Very high83 Ų8380.1 Ų80.151%0.50941%0.412SS..  trans-67.7116.8-179.9-60.50000110N201 D204N201-T206 VanDerWaalsContact CB-O 3.27Å; N201-T206 WeakPolarHBondContact CB-O 3.32Å; N201-T206 PolarHBondContact ND2-O 2.89Å; D204-T206 PolarHBondContact O-N 3.27Å; D204-T206 WeakPolarHBondContact OD1-CB 3.31Å; D204-T206 PolarHBondContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 3.43Å; D204-T206 WeakPolarHBondContact OD2-CB 3.28Å; D204-T206 PolarHBondContact OD2-OG1 2.84Å
207L95.2Very high93Very high104 Ų10483.4 Ų83.455%0.54543%0.429SS..  trans-111.1157.8175.9-53.3-174.1000109.8V198 N201 G205V198-L207 HydrophobicContact CG1-CD2 4.42Å; N201-L207 HydrophobicContact CB-CD2 4.46Å; G205-L207 WeakPolarHBondContact O-CG 3.47Å; G205-L207 PolarHBondContact O-N 3.47Å
208G94.4Very high92.6Very high36 Ų3681.5 Ų81.537%0.37142%0.42SS..EExtended strand (participates in β ladder)trans168.3179177.200000114.3Q197 V198Q197-G208 CarbonylContact C-O 3.47Å; Q197-G208 WeakPolarHBondContact CA-O 3.23Å; V198-G208 PolarHBondContact N-O 3.39Å; V198-G208 PolarHBondContact O-N 3.39Å
209C94.6Very high92.4Very high81 Ų8182.1 Ų82.155%0.54742%0.421SS..EExtended strand (participates in β ladder)trans-118.5143.7176.4-62.10000110.1Y195 I196Y195-C209 HydrophobicContact CD2-CB 4.06Å; I196-C209 CarbonylContact O-C 3.47Å; I196-C209 VanDerWaalsContact O-CA 3.28Å; I196-C209 WeakPolarHBondContact O-CA 3.34Å
210M92.7Very high92.3Very high129 Ų12981 Ų8164%0.63542%0.415SS*.EExtended strand (participates in β ladder)trans-126.9117.8172.2-179.9-177.7175.200109.2Y195 I196Y195-M210 CarbonylContact C-O 3.47Å; Y195-M210 WeakPolarHBondContact CA-O 3.41Å; Y195-M210 VanDerWaalsContact CB-O 3.25Å; Y195-M210 WeakPolarHBondContact CB-O 3.48Å; I196-M210 PolarHBondContact N-O 3.35Å; I196-M210 PolarHBondContact O-N 3.42Å
211D92.3Very high92Very high106 Ų10680.8 Ų80.857%0.56741%0.414SS*.EExtended strand (participates in β ladder)trans-63.6138.7176-74.8-14.1000111.3
212L92.5Very high91.4Very high16 Ų1681.1 Ų81.18%0.08441%0.413CS..  trans-114.6113.7179.4-69.5-172.7000111.2F15 L183 K194 I196 F214 F221F15-L212 HydrophobicContact CD2-CD1 3.84Å; F15-L212 HydrophobicContact CD2-CD2 4.42Å; F15-L212 HydrophobicContact CE2-CD1 4.19Å; F15-L212 HydrophobicContact CE2-CD2 4.18Å; L183-L212 HydrophobicContact CD1-CD1 3.44Å; L183-L212 VanDerWaalsContact CD1-CD1 3.44Å; K194-L212 HydrophobicContact CB-CB 4.46Å; K194-L212 HydrophobicContact CD-CD1 4.49Å; K194-L212 HydrophobicContact CG-CB 4.32Å; K194-L212 HydrophobicContact CG-CD1 4.33Å; K194-L212 PolarHBondContact O-N 2.92Å; I196-L212 HydrophobicContact CD1-CD1 4.3Å; I196-L212 HydrophobicContact CG1-CD1 3.59Å; I196-L212 HydrophobicContact CG1-CD2 4.26Å; I196-L212 HydrophobicContact CG1-CG 4.04Å; L212-F214 PolarHBondContact O-N 2.75Å; L212-F221 HydrophobicContact CB-CD1 3.81Å; L212-F221 HydrophobicContact CB-CE1 3.75Å; L212-F221 HydrophobicContact CD1-CD1 4.31Å; L212-F221 HydrophobicContact CD1-CE1 3.84Å; L212-F221 HydrophobicContact CD1-CZ 4.09Å; L212-F221 HydrophobicContact CD2-CD1 4.18Å; L212-F221 HydrophobicContact CD2-CG 4.43Å; L212-F221 HydrophobicContact CG-CD1 4.34Å; L212-F221 HydrophobicContact CG-CE1 4.28Å
213N89.8Confident90.6Very high129 Ų12980.5 Ų80.569%0.6942%0.424SS*.  trans-95.993.8175.7-68.8-46.6000110.7
214F91.1Very high89.9Confident68 Ų6882.1 Ų82.130%0.29843%0.429SS..  trans-80.9124.8-176.3-173-117000113.2T14 L212 K216 L219 F221T14-F214 HydrophobicContact CG2-CE2 3.67Å; T14-F214 HydrophobicContact CG2-CZ 4.08Å; L212-F214 PolarHBondContact O-N 2.75Å; F214-K216 HydrophobicContact CD1-CG 3.89Å; F214-K216 HydrophobicContact CE1-CB 4.43Å; F214-K216 HydrophobicContact CE1-CG 3.9Å; F214-L219 HydrophobicContact CZ-CB 4.3Å; F214-L219 HydrophobicContact CZ-CD2 3.91Å; F214-F221 HydrophobicContact CB-CD1 4.06Å; F214-F221 HydrophobicContact CB-CE1 3.66Å; F214-F221 HydrophobicContact CB-CZ 4.45Å; F214-F221 HydrophobicContact CD2-CD1 4.02Å; F214-F221 AromaticContact CD2-CE1 3.59Å; F214-F221 HydrophobicContact CD2-CE1 3.59Å; F214-F221 HydrophobicContact CD2-CE2 4.11Å; F214-F221 HydrophobicContact CD2-CG 4.49Å; F214-F221 AromaticContact CD2-CZ 3.62Å; F214-F221 HydrophobicContact CD2-CZ 3.62Å; F214-F221 HydrophobicContact CE2-CZ 4.3Å; F214-F221 HydrophobicContact CG-CE1 4.03Å; F214-F221 HydrophobicContact CG-CZ 4.37Å
215R90.5Very high89.2Confident110 Ų11080.9 Ų80.942%0.41543%0.427SS..BIsolated β-bridgetrans-97.598176.3-61.2-70-70.1-99.9-0.2109.8D217 R218 L219 S220R215-D217 VanDerWaalsContact C-N 3.27Å; R215-D217 WeakPolarHBondContact CB-OD1 3.29Å; R215-D217 IonicContact NE-OD1 3.84Å; R215-D217 PolarHBondContact O-N 2.91Å; R215-R218 VanDerWaalsContact CZ-NH2 3.26Å; R215-R218 PolarHBondContact O-N 3.31Å; R215-R218 VanDerWaalsContact O-N 3.15Å; R215-L219 WeakPolarHBondContact O-CA 3.37Å; R215-L219 PolarHBondContact O-N 3.37Å; R215-S220 VanDerWaalsContact CB-O 3.28Å; R215-S220 WeakPolarHBondContact CB-O 3.11Å; R215-S220 PolarHBondContact N-O 3.06Å; R215-S220 PolarHBondContact O-N 3.08Å
216K89.2Confident88.7Confident175 Ų17583.7 Ų83.776%0.76142%0.423SS*.THydrogen-bonded Turntrans-58.9-35.3-174.6-68.9-176.4178.6179.20113.7F214 R218F214-K216 HydrophobicContact CD1-CG 3.89Å; F214-K216 HydrophobicContact CE1-CB 4.43Å; F214-K216 HydrophobicContact CE1-CG 3.9Å; K216-R218 PolarHBondContact O-N 3.15Å
217D88.2Confident87.9Confident76 Ų7687.5 Ų87.541%0.40643%0.434SS..THydrogen-bonded Turntrans-61.3-29.2179.156.7-41.6000112.9Q48 P54 R215Q48-D217 PolarHBondContact NE2-O 2.92Å; Q48-D217 VanDerWaalsContact NE2-O 3.08Å; P54-D217 WeakPolarHBondContact CA-O 3.37Å; P54-D217 HydrophobicContact CG-CB 4.17Å; R215-D217 VanDerWaalsContact C-N 3.27Å; R215-D217 WeakPolarHBondContact CB-OD1 3.29Å; R215-D217 IonicContact NE-OD1 3.84Å; R215-D217 PolarHBondContact O-N 2.91Å
218R88.1Confident87Confident12 Ų1284.1 Ų84.15%0.04542%0.417CS..THydrogen-bonded Turntrans-121.31.9-174.3-58.6-177.5-79.1169.19.8113.5G52 P54 R215 K216 S220 P223G52-R218 WeakPolarHBondContact O-CD 3.47Å; G52-R218 PolarHBondContact O-NH1 3.29Å; P54-R218 HydrophobicContact CG-CG 4.2Å; R215-R218 VanDerWaalsContact CZ-NH2 3.26Å; R215-R218 PolarHBondContact O-N 3.31Å; R215-R218 VanDerWaalsContact O-N 3.15Å; K216-R218 PolarHBondContact O-N 3.15Å; R218-S220 PolarHBondContact O-N 3.29Å; R218-S220 VanDerWaalsContact O-N 3.13Å; R218-P223 PolarHBondContact NH2-O 3.49Å
219L91.9Very high86.4Confident52 Ų5286.9 Ų86.927%0.27243%0.426SS..THydrogen-bonded Turntrans49.334.1-173.1-56.9179000113.4Q49 F214 R215Q49-L219 WeakPolarHBondContact CG-O 3.3Å; Q49-L219 PolarHBondContact NE2-O 3.27Å; F214-L219 HydrophobicContact CZ-CB 4.3Å; F214-L219 HydrophobicContact CZ-CD2 3.91Å; R215-L219 WeakPolarHBondContact O-CA 3.37Å; R215-L219 PolarHBondContact O-N 3.37Å
220S92.4Very high85.4Confident1 Ų187.9 Ų87.91%0.00743%0.425CS..BIsolated β-bridgetrans-131.1153.8-168.6171.50000112.9E18 R215 R218 R222E18-S220 PolarHBondContact OE1-OG 3.31Å; E18-S220 WeakPolarHBondContact OE2-CA 3.29Å; R215-S220 VanDerWaalsContact CB-O 3.28Å; R215-S220 WeakPolarHBondContact CB-O 3.11Å; R215-S220 PolarHBondContact N-O 3.06Å; R215-S220 PolarHBondContact O-N 3.08Å; R218-S220 PolarHBondContact O-N 3.29Å; R218-S220 VanDerWaalsContact O-N 3.13Å; S220-R222 WeakPolarHBondContact OG-CB 3.41Å; S220-R222 PolarHBondContact OG-N 2.76Å
221F89.4Confident84.1Confident37 Ų3782.1 Ų82.116%0.16240%0.397CS..  trans-94.8-8.2170.4-57.9-77.9000112.4F15 E18 L212 F214F15-F221 HydrophobicContact CB-CE2 4.04Å; F15-F221 HydrophobicContact CB-CZ 4.47Å; F15-F221 HydrophobicContact CD2-CD2 4.39Å; F15-F221 HydrophobicContact CD2-CE2 4.12Å; E18-F221 HydrophobicContact CB-CD2 4.44Å; E18-F221 PolarHBondContact OE1-N 3.2Å; E18-F221 WeakPolarHBondContact OE2-CD2 3.28Å; E18-F221 PolarHBondContact OE2-N 3.27Å; L212-F221 HydrophobicContact CB-CD1 3.81Å; L212-F221 HydrophobicContact CB-CE1 3.75Å; L212-F221 HydrophobicContact CD1-CD1 4.31Å; L212-F221 HydrophobicContact CD1-CE1 3.84Å; L212-F221 HydrophobicContact CD1-CZ 4.09Å; L212-F221 HydrophobicContact CD2-CD1 4.18Å; L212-F221 HydrophobicContact CD2-CG 4.43Å; L212-F221 HydrophobicContact CG-CD1 4.34Å; L212-F221 HydrophobicContact CG-CE1 4.28Å; F214-F221 HydrophobicContact CB-CD1 4.06Å; F214-F221 HydrophobicContact CB-CE1 3.66Å; F214-F221 HydrophobicContact CB-CZ 4.45Å; F214-F221 HydrophobicContact CD2-CD1 4.02Å; F214-F221 AromaticContact CD2-CE1 3.59Å; F214-F221 HydrophobicContact CD2-CE1 3.59Å; F214-F221 HydrophobicContact CD2-CE2 4.11Å; F214-F221 HydrophobicContact CD2-CG 4.49Å; F214-F221 AromaticContact CD2-CZ 3.62Å; F214-F221 HydrophobicContact CD2-CZ 3.62Å; F214-F221 HydrophobicContact CE2-CZ 4.3Å; F214-F221 HydrophobicContact CG-CE1 4.03Å; F214-F221 HydrophobicContact CG-CZ 4.37Å
222R83.1Confident83.2Confident43 Ų4383.4 Ų83.416%0.16241%0.409CS..  trans-65.5141.6176.4-77.3168.9178.8-164.2-7.4112.6E18 D22 E25 S220E18-R222 WeakPolarHBondContact OE1-CG 2.83Å; E18-R222 PolarHBondContact OE1-N 3.14Å; D22-R222 IonicContact OD1-NH2 3.1Å; D22-R222 PolarHBondContact OD1-NH2 3.02Å; E25-R222 IonicContact OE1-NH1 3.45Å; E25-R222 PolarHBondContact OE1-NH1 2.91Å; E25-R222 VanDerWaalsContact OE1-NH1 3.1Å; E25-R222 IonicContact OE2-CZ 2.87Å; E25-R222 IonicContact OE2-NH1 3.82Å; E25-R222 PolarHBondContact OE2-NH1 3.44Å; E25-R222 IonicContact OE2-NH2 2.71Å; E25-R222 PolarHBondContact OE2-NH2 3.37Å; S220-R222 WeakPolarHBondContact OG-CB 3.41Å; S220-R222 PolarHBondContact OG-N 2.76Å
223P76.8Confident82.1Confident105 Ų10589 Ų8968%0.68243%0.433SS*.SBendtrans-72.6-39.1177.927.4-32.5000112.4R218R218-P223 PolarHBondContact NH2-O 3.49Å
224R74.2Confident80.9Confident206 Ų20687.9 Ų87.978%0.77744%0.442SS*.SBendtrans-120.8145.8-168.2-64.8-175.8-175.6171.91.9113.1
225P78.1Confident79.9Confident82 Ų8286.9 Ų86.953%0.53244%0.441SS..PPolyproline II helixtrans-68.6159.2173.430.4-35.1000112.2G52G52-P225 VanDerWaalsContact O-CA 3.23Å; G52-P225 WeakPolarHBondContact O-CA 3.41Å; G52-P225 WeakPolarHBondContact O-CB 3.09Å
226R81.9Confident79.3Confident107 Ų10787 Ų8740%0.40445%0.454SS..PPolyproline II helixtrans-87.8156.2167.6-88.3-168.8-173.8-89.3-10.4111E25 F50 A51 W66E25-R226 IonicContact OE1-CZ 2.75Å; E25-R226 IonicContact OE1-NE 2.87Å; E25-R226 PolarHBondContact OE1-NE 3.41Å; E25-R226 IonicContact OE1-NH2 3.42Å; E25-R226 PolarHBondContact OE1-NH2 2.94Å; E25-R226 IonicContact OE2-CZ 3.14Å; E25-R226 IonicContact OE2-NH2 3.29Å; E25-R226 PolarHBondContact OE2-NH2 3.29Å; F50-R226 VanDerWaalsContact O-CD 3.26Å; F50-R226 WeakPolarHBondContact O-CD 3.42Å; A51-R226 PolarHBondContact O-N 2.97Å; A51-R226 VanDerWaalsContact O-N 3.16Å; W66-R226 HydrophobicContact CH2-CB 4.15Å; W66-R226 HydrophobicContact CZ3-CB 4.43Å
227E80Confident78.9Confident162 Ų16281.2 Ų81.276%0.75743%0.429SS*.PPolyproline II helixtrans-85133.6166.4-171.8172.8-17400109.8
228L76.2Confident78.9Confident33 Ų3379.9 Ų79.917%0.17343%0.425CS..PPolyproline II helixtrans-81119.3176.1179.367.5000109.6E65 W66 M69E65-L228 HydrophobicContact CB-CD1 4.34Å; E65-L228 HydrophobicContact CB-CD2 4.06Å; E65-L228 WeakPolarHBondContact OE2-CD2 3.38Å; W66-L228 HydrophobicContact CD2-CD1 3.64Å; W66-L228 HydrophobicContact CE3-CD1 3.56Å; W66-L228 HydrophobicContact CG-CD1 4.29Å; W66-L228 HydrophobicContact CH2-CB 3.66Å; W66-L228 HydrophobicContact CH2-CD1 4.02Å; W66-L228 HydrophobicContact CH2-CG 4.43Å; W66-L228 HydrophobicContact CZ2-CB 3.67Å; W66-L228 HydrophobicContact CZ2-CD1 4.1Å; W66-L228 HydrophobicContact CZ2-CG 4.36Å; W66-L228 HydrophobicContact CZ3-CB 4.22Å; W66-L228 HydrophobicContact CZ3-CD1 3.74Å; M69-L228 HydrophobicContact CB-CD1 4.45Å; M69-L228 HydrophobicContact SD-CD1 3.86Å
229V80.5Confident78.9Confident94 Ų9482.3 Ų82.357%0.5743%0.434SS*.  trans-109.2115.3168.3-177.40000107.9M69 P231M69-V229 HydrophobicContact CE-CB 4.17Å; M69-V229 HydrophobicContact CE-CG2 4.47Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å; V229-P231 VanDerWaalsContact O-N 3.16Å
230I74.2Confident78.9Confident102 Ų10283.6 Ų83.652%0.52344%0.44SS..  trans-63.9113.1-176.8-61.9-176.8000109
231P66.7Low78.5Confident9 Ų984 Ų846%0.05844%0.442CS..  trans-75.3144.4-174.8-7.220.9000112.1R68 M69 E72 V229R68-P231 HydrophobicContact CB-CG 4.23Å; R68-P231 HydrophobicContact CG-CB 4.06Å; R68-P231 HydrophobicContact CG-CG 3.9Å; R68-P231 PolarHBondContact NE-O 2.8Å; R68-P231 PolarHBondContact NH1-O 3.24Å; M69-P231 HydrophobicContact CB-CG 3.58Å; M69-P231 HydrophobicContact CG-CG 4.13Å; E72-P231 HydrophobicContact CB-CB 4.4Å; E72-P231 WeakPolarHBondContact OE2-CB 3.4Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å; V229-P231 VanDerWaalsContact O-N 3.16Å
232T72.2Confident78.1Confident133 Ų13384.3 Ų84.382%0.81646%0.456SS*.  trans-87.9-19.6-176.448.90000113.7
233K70.1Confident77.4Confident133 Ų13386.6 Ų86.658%0.57847%0.466SS*.SBendtrans-92.9142.2-176.4-67.3-179.8-175.8169.30111.6R68 T235R68-K233 WeakPolarHBondContact CD-O 3.37Å; K233-T235 HydrophobicContact CB-CG2 4.42Å; K233-T235 PolarHBondContact O-N 2.93Å
234A64.2Low76.5Confident106 Ų10693.2 Ų93.288%0.87650%0.495SS*.  trans-75.2121.3165.600000108.5
235T70.9Confident76.7Confident47 Ų4787.6 Ų87.629%0.28848%0.481SS..  trans-132144.8176.6530000109.1S71 E72 K233S71-T235 VanDerWaalsContact CB-OG1 3.32Å; S71-T235 WeakPolarHBondContact CB-OG1 3.35Å; S71-T235 WeakPolarHBondContact OG-CB 3.38Å; S71-T235 PolarHBondContact OG-OG1 3.17Å; E72-T235 HydrophobicContact CB-CG2 4.44Å; K233-T235 HydrophobicContact CB-CG2 4.42Å; K233-T235 PolarHBondContact O-N 2.93Å
236T76.3Confident76.6Confident112 Ų11287.8 Ų87.869%0.68748%0.478SS*.  trans-85.3141.4176.347.60000110S71S71-T236 PolarHBondContact OG-O 3.39Å
237F82.1Confident76.3Confident53 Ų5386.8 Ų86.823%0.23248%0.482CS..SBendtrans-143.8136.5173.4180-94.1000109.5C43 I47 A67 F70 F78C43-F237 HydrophobicContact CB-CE1 3.74Å; C43-F237 HydrophobicContact CB-CZ 3.7Å; I47-F237 HydrophobicContact CD1-CD1 4.21Å; I47-F237 HydrophobicContact CD1-CE1 3.52Å; I47-F237 HydrophobicContact CD1-CZ 3.99Å; I47-F237 HydrophobicContact CG1-CE1 4.27Å; I47-F237 HydrophobicContact CG1-CZ 4.24Å; A67-F237 HydrophobicContact CB-CD1 4.25Å; F70-F237 AromaticContact CD1-CD2 3.76Å; F70-F237 HydrophobicContact CD1-CD2 3.76Å; F70-F237 AromaticContact CD1-CE2 3.45Å; F70-F237 HydrophobicContact CD1-CE2 3.45Å; F70-F237 VanDerWaalsContact CD1-CE2 3.45Å; F70-F237 HydrophobicContact CD1-CZ 4.33Å; F70-F237 HydrophobicContact CE1-CD2 4.1Å; F70-F237 AromaticContact CE1-CE2 3.44Å; F70-F237 HydrophobicContact CE1-CE2 3.44Å; F70-F237 VanDerWaalsContact CE1-CE2 3.44Å; F70-F237 HydrophobicContact CE1-CZ 4.33Å; F70-F237 HydrophobicContact CG-CE2 4.43Å; F70-F237 HydrophobicContact CZ-CE2 4.38Å; F78-F237 AromaticContact CE2-CE2 3.89Å; F78-F237 HydrophobicContact CE2-CE2 3.89Å; F78-F237 HydrophobicContact CE2-CZ 4.29Å; F78-F237 HydrophobicContact CZ-CE2 4.32Å; F78-F237 HydrophobicContact CZ-CZ 4.43Å
238P86.8Confident76.1Confident49 Ų4982.4 Ų82.432%0.31847%0.466SS..SBendcis-71.2154.1-5.230.5-34.9000112.7L39 F78 I240L39-P238 HydrophobicContact CD2-CB 4.47Å; L39-P238 HydrophobicContact CD2-CG 4.01Å; F78-P238 HydrophobicContact CD2-CB 3.56Å; F78-P238 HydrophobicContact CE2-CB 3.83Å; F78-P238 HydrophobicContact CG-CB 4.4Å; P238-I240 HydrophobicContact CB-CD1 4.12Å; P238-I240 HydrophobicContact CG-CD1 3.85Å; P238-I240 HydrophobicContact CG-CG1 4.49Å; P238-I240 PolarHBondContact O-N 3.11Å
239R89.5Confident76.1Confident62 Ų6285.4 Ų85.423%0.23449%0.485CS..EExtended strand (participates in β ladder)trans-84.2105.5171.7-65.6176.6-176.7177.8-2.8109S71 Y77 F78S71-R239 VanDerWaalsContact C-NH2 3.34Å; S71-R239 PolarHBondContact O-NH2 3.33Å; S71-R239 PolarHBondContact OG-NE 3.32Å; S71-R239 PolarHBondContact OG-NH2 3.28Å; Y77-R239 CarbonylContact C-O 3.51Å; Y77-R239 WeakPolarHBondContact CA-O 3.45Å; Y77-R239 HydrophobicContact CD1-CB 3.84Å; Y77-R239 HydrophobicContact CE1-CB 4.33Å; F78-R239 PolarHBondContact N-O 3.06Å
240I90.3Very high75.8Confident80 Ų8084.9 Ų84.941%0.4148%0.479SS..EExtended strand (participates in β ladder)trans-87.2134.5-177.6-59-51.3000110.4L39 F78 N80 P238L39-I240 HydrophobicContact CD2-CD1 3.57Å; F78-I240 HydrophobicContact CB-CD1 4.08Å; F78-I240 WeakPolarHBondContact O-CA 3.41Å; N80-I240 HydrophobicContact CB-CD1 4.11Å; N80-I240 HydrophobicContact CB-CG1 4.39Å; N80-I240 HydrophobicContact CB-CG2 3.47Å; N80-I240 VanDerWaalsContact CB-CG2 3.47Å; P238-I240 HydrophobicContact CB-CD1 4.12Å; P238-I240 HydrophobicContact CG-CD1 3.85Å; P238-I240 HydrophobicContact CG-CG1 4.49Å; P238-I240 PolarHBondContact O-N 3.11Å
241V85.8Confident75.9Confident8 Ų883.6 Ų83.65%0.04848%0.476CS..EExtended strand (participates in β ladder)trans-108127.71681720000108.1L31 Y77 F78 T93 V96L31-V241 HydrophobicContact CD1-CB 3.95Å; L31-V241 HydrophobicContact CD1-CG1 4.47Å; L31-V241 HydrophobicContact CD1-CG2 4.1Å; Y77-V241 HydrophobicContact CD1-CG2 4.09Å; Y77-V241 HydrophobicContact CG-CG2 4.23Å; F78-V241 PolarHBondContact O-N 3.48Å; T93-V241 HydrophobicContact CG2-CG1 4.04Å; V96-V241 HydrophobicContact CG1-CG1 3.75Å
242G80.9Confident76.6Confident44 Ų4489.4 Ų89.445%0.45451%0.508SS..  trans-170.9-179.4-177.800000111.2
243Y68Low77Confident92 Ų9285.8 Ų85.836%0.36148%0.482SS..  trans-110.9144.8172.9-62.1-90.7000108.7K92 V96K92-Y243 VanDerWaalsContact C-CE2 3.49Å; K92-Y243 HydrophobicContact CB-CE2 4.11Å; K92-Y243 HydrophobicContact CD-CD2 4.31Å; K92-Y243 HydrophobicContact CD-CE1 4.38Å; K92-Y243 HydrophobicContact CD-CE2 4Å; K92-Y243 VanDerWaalsContact CE-CE1 3.42Å; K92-Y243 HydrophobicContact CG-CD2 4.26Å; K92-Y243 HydrophobicContact CG-CE1 4.13Å; K92-Y243 HydrophobicContact CG-CE2 3.48Å; K92-Y243 VanDerWaalsContact CG-CE2 3.48Å; K92-Y243 VanDerWaalsContact CG-OH 3.27Å; K92-Y243 WeakPolarHBondContact CG-OH 3.49Å; K92-Y243 WeakPolarHBondContact O-CE2 3.22Å; K92-Y243 PolarHBondContact O-OH 3.44Å; V96-Y243 HydrophobicContact CB-CE1 4.06Å; V96-Y243 HydrophobicContact CB-CE2 4.23Å; V96-Y243 WeakPolarHBondContact CB-OH 3.46Å; V96-Y243 HydrophobicContact CG2-CD1 4.11Å; V96-Y243 HydrophobicContact CG2-CE1 3.17Å; V96-Y243 HydrophobicContact CG2-CE2 4.22Å; V96-Y243 WeakPolarHBondContact CG2-OH 3.49Å
244D58.7Low77.6Confident243 Ų24381.5 Ų81.5100%1.29947%0.474SS*.  trans-66.30162.7-67.7-33000111.3

Retrieved 244 of 244 residues in 603 ms (Link to these results)

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