A0A087X711_POEFO Loading...

ADP-ribosylation factor-like protein 2

AlphaFold DB , UniProt , Accession A0A087X711, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 184 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.9Low72.9Confident203 Ų203101.9 Ų101.9100%153%0.527SS*.  0110.40-80.6-165.6-81.800107.7
2G83.9Confident72.8Confident40 Ų4099.7 Ų99.741%0.41251%0.512SS..  trans-84.1162-175.200000113L4 T5 I6G2-L4 PolarHBondContact O-N 2.71Å; G2-T5 WeakPolarHBondContact O-CB 3.34Å; G2-T5 PolarHBondContact O-N 3.01Å; G2-I6 PolarHBondContact O-N 2.87Å
3L81.6Confident73Confident128 Ų128106.5 Ų106.567%0.6754%0.536SS*.Hα-helixtrans-52.4-41.2176.3178.161.8000112.3T5 I6 L7L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.31Å; L3-I6 WeakPolarHBondContact O-CB 3.43Å; L3-I6 PolarHBondContact O-N 2.7Å; L3-I6 VanDerWaalsContact O-N 3.13Å; L3-L7 HydrophobicContact CD1-CD1 4.37Å; L3-L7 HydrophobicContact CD1-CG 4.3Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.43Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.4Å
4L72.8Confident73.4Confident145 Ų145105.9 Ų105.976%0.75953%0.53SS*.Hα-helixtrans-59.6-39.5177.4-68.5171000112.7G2 I6 L7 K8G2-L4 PolarHBondContact O-N 2.71Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.04Å; L4-L7 PolarHBondContact O-N 2.94Å; L4-K8 WeakPolarHBondContact O-CB 3.46Å; L4-K8 PolarHBondContact O-N 3.3Å
5T72.7Confident74.4Confident67 Ų67105.7 Ų105.741%0.41152%0.521SS..Hα-helixtrans-67.8-35.6177.8-40.70000111.4G2 L3 K9G2-T5 WeakPolarHBondContact O-CB 3.34Å; G2-T5 PolarHBondContact O-N 3.01Å; L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.31Å; T5-K9 WeakPolarHBondContact O-CB 3.44Å; T5-K9 WeakPolarHBondContact O-CG 3.37Å; T5-K9 PolarHBondContact O-N 3.1Å
6I78.9Confident75.6Confident84 Ų84103.3 Ų103.343%0.43151%0.508SS..Hα-helixtrans-68.5-48.5176.6-63.9171.2000110G2 L3 L4 K8 K9 M10G2-I6 PolarHBondContact O-N 2.87Å; L3-I6 WeakPolarHBondContact O-CB 3.43Å; L3-I6 PolarHBondContact O-N 2.7Å; L3-I6 VanDerWaalsContact O-N 3.13Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.04Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 2.97Å; I6-K9 PolarHBondContact O-N 3.37Å; I6-M10 HydrophobicContact CG2-CG 4.44Å; I6-M10 HydrophobicContact CG2-SD 4.08Å; I6-M10 WeakPolarHBondContact O-CG 3.47Å; I6-M10 PolarHBondContact O-N 2.92Å
7L72.4Confident76.7Confident94 Ų9497.3 Ų97.349%0.49248%0.478SS..Hα-helixtrans-59-42.3177.2-67.8173.4000111.7L3 L4 M10 K11L3-L7 HydrophobicContact CD1-CD1 4.37Å; L3-L7 HydrophobicContact CD1-CG 4.3Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.43Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.4Å; L4-L7 PolarHBondContact O-N 2.94Å; L7-M10 PolarHBondContact O-N 3.43Å; L7-K11 WeakPolarHBondContact O-CB 3.16Å; L7-K11 PolarHBondContact O-N 3.01Å
8K68.6Low77.8Confident81 Ų8193.9 Ų93.935%0.35246%0.459SS..Hα-helixtrans-62.1-44.7175.3-171.3176.8175.9-1740112.1L4 I6 K11 Q12 A183L4-K8 WeakPolarHBondContact O-CB 3.46Å; L4-K8 PolarHBondContact O-N 3.3Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 2.97Å; K8-K11 PolarHBondContact O-N 3.04Å; K8-Q12 WeakPolarHBondContact O-CB 3.41Å; K8-Q12 PolarHBondContact O-N 3.37Å; K8-A183 PolarHBondContact NZ-O 2.78Å
9K71.8Confident78.9Confident121 Ų12189.1 Ų89.153%0.52644%0.436SS..Hα-helixtrans-65.2-37.8177-77.7-177.8177.2-173.40112.9T5 I6 K13T5-K9 WeakPolarHBondContact O-CB 3.44Å; T5-K9 WeakPolarHBondContact O-CG 3.37Å; T5-K9 PolarHBondContact O-N 3.1Å; I6-K9 PolarHBondContact O-N 3.37Å; K9-K13 WeakPolarHBondContact O-CB 3.46Å; K9-K13 PolarHBondContact O-N 3.39Å
10M73.6Confident79.9Confident93 Ų9384.7 Ų84.746%0.45841%0.414SS..Hα-helixtrans-63.5-49.2174.5-73178.866.300110.7I6 L7 Q12 K13 E14I6-M10 HydrophobicContact CG2-CG 4.44Å; I6-M10 HydrophobicContact CG2-SD 4.08Å; I6-M10 WeakPolarHBondContact O-CG 3.47Å; I6-M10 PolarHBondContact O-N 2.92Å; L7-M10 PolarHBondContact O-N 3.43Å; M10-Q12 VanDerWaalsContact C-N 3.33Å; M10-Q12 PolarHBondContact O-N 2.91Å; M10-K13 WeakPolarHBondContact O-CB 3.41Å; M10-K13 PolarHBondContact O-N 2.97Å; M10-E14 WeakPolarHBondContact O-CG 3.27Å; M10-E14 PolarHBondContact O-N 2.88Å
11K71.1Confident80.8Confident65 Ų6580.8 Ų80.828%0.28340%0.395SS..Hα-helixtrans-60.6-40.7177.3-165.5168.9-174.91700112.4L7 K8 K13 E14 R15 D85 I180 F181L7-K11 WeakPolarHBondContact O-CB 3.16Å; L7-K11 PolarHBondContact O-N 3.01Å; K8-K11 PolarHBondContact O-N 3.04Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 3.37Å; K11-E14 PolarHBondContact O-N 3.18Å; K11-R15 PolarHBondContact O-N 3.06Å; K11-R15 VanDerWaalsContact O-N 3.1Å; K11-D85 VanDerWaalsContact NZ-CG 3.25Å; K11-D85 IonicContact NZ-OD1 3.87Å; K11-D85 PolarHBondContact NZ-OD1 2.89Å; K11-D85 IonicContact NZ-OD2 3.38Å; K11-D85 PolarHBondContact NZ-OD2 2.79Å; K11-D85 VanDerWaalsContact NZ-OD2 3.16Å; K11-I180 HydrophobicContact CD-CG2 4.3Å; K11-F181 HydrophobicContact CG-CE1 4.34Å; K11-F181 WeakPolarHBondContact O-CE1 3.43Å
12Q71.4Confident82.9Confident75 Ų7571.1 Ų71.135%0.3535%0.348SS..Hα-helixtrans-57.1-42171.5-97.6178.1-17.900112.6K8 M10 R15 F181K8-Q12 WeakPolarHBondContact O-CB 3.41Å; K8-Q12 PolarHBondContact O-N 3.37Å; M10-Q12 VanDerWaalsContact C-N 3.33Å; M10-Q12 PolarHBondContact O-N 2.91Å; Q12-R15 WeakPolarHBondContact O-CG 3.49Å; Q12-F181 HydrophobicContact CB-CD1 4.24Å; Q12-F181 HydrophobicContact CG-CB 4.45Å; Q12-F181 HydrophobicContact CG-CD1 3.57Å; Q12-F181 HydrophobicContact CG-CE1 4.36Å; Q12-F181 HydrophobicContact CG-CG 4.48Å; Q12-F181 PolarHBondContact NE2-O 2.68Å
13K74.9Confident83.6Confident189 Ų18969.2 Ų69.282%0.82233%0.328SS*.Hα-helixtrans-72-37.4-179.7-170.9-178.8178.5-174.40112.4K9 M10 K11K9-K13 WeakPolarHBondContact O-CB 3.46Å; K9-K13 PolarHBondContact O-N 3.39Å; M10-K13 WeakPolarHBondContact O-CB 3.41Å; M10-K13 PolarHBondContact O-N 2.97Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 3.37Å
14E79.2Confident84.4Confident98 Ų9863.6 Ų63.646%0.45830%0.299SS..Hα-helixtrans-74.4-29-177.1-73.6170.1-179.600112.3M10 K11 E16M10-E14 WeakPolarHBondContact O-CG 3.27Å; M10-E14 PolarHBondContact O-N 2.88Å; K11-E14 PolarHBondContact O-N 3.18Å; E14-E16 HydrophobicContact CB-CB 4.49Å; E14-E16 HydrophobicContact CB-CG 4.03Å; E14-E16 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact O-N 3.16Å
15R88.6Confident85.6Confident102 Ų10259 Ų5939%0.38528%0.275SS..THydrogen-bonded Turntrans50.436-176.4-62.7-168.267.4-174.3-7.1111.9K11 Q12 K58 G59 F60 K61K11-R15 PolarHBondContact O-N 3.06Å; K11-R15 VanDerWaalsContact O-N 3.1Å; Q12-R15 WeakPolarHBondContact O-CG 3.49Å; R15-K58 PolarHBondContact NH2-O 2.97Å; R15-G59 VanDerWaalsContact CZ-O 3.3Å; R15-G59 PolarHBondContact NE-O 2.94Å; R15-F60 HydrophobicContact CB-CD1 3.8Å; R15-F60 HydrophobicContact CB-CE1 4.22Å; R15-F60 HydrophobicContact CG-CD1 4.47Å; R15-F60 HydrophobicContact CG-CE1 4.41Å; R15-F60 VanDerWaalsContact O-CA 3.27Å; R15-F60 WeakPolarHBondContact O-CA 3.3Å; R15-F60 WeakPolarHBondContact O-CD1 3.48Å; R15-K61 PolarHBondContact O-N 3.39Å
16E92.7Very high86.8Confident68 Ų6861.1 Ų61.132%0.31828%0.284SS..EExtended strand (participates in β ladder)trans-96136176.3-62.8-164.8177.300110E14 K61E14-E16 HydrophobicContact CB-CB 4.49Å; E14-E16 HydrophobicContact CB-CG 4.03Å; E14-E16 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact O-N 3.16Å; E16-K61 CarbonylContact C-O 3.59Å; E16-K61 WeakPolarHBondContact CA-O 3.31Å; E16-K61 HydrophobicContact CG-CB 3.99Å; E16-K61 HydrophobicContact CG-CD 4.11Å; E16-K61 IonicContact OE1-NZ 3.91Å
17M94.6Very high87.7Confident1 Ų157.2 Ų57.21%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-125.3132.6174.7-65.3-172.1-174.900109.9F60 K61 L62 N63 L173 I176 A177 F181M17-F60 HydrophobicContact CE-CD1 3.71Å; M17-F60 HydrophobicContact CE-CD2 4.14Å; M17-F60 HydrophobicContact CE-CE1 3.67Å; M17-F60 HydrophobicContact CE-CE2 4.06Å; M17-F60 HydrophobicContact CE-CG 3.95Å; M17-F60 HydrophobicContact CE-CZ 3.83Å; M17-F60 HydrophobicContact CG-CD1 4.49Å; M17-K61 PolarHBondContact N-O 3Å; M17-L62 HydrophobicContact CB-CD2 4.1Å; M17-L62 HydrophobicContact SD-CD2 4.38Å; M17-N63 PolarHBondContact O-N 2.94Å; M17-L173 HydrophobicContact CE-CB 4.44Å; M17-L173 HydrophobicContact CE-CD2 4.22Å; M17-L173 HydrophobicContact SD-CD2 3.34Å; M17-L173 WeakPolarHBondContact SD-CD2 3.44Å; M17-L173 HydrophobicContact SD-CG 4.49Å; M17-I176 HydrophobicContact CE-CB 4.02Å; M17-I176 HydrophobicContact CE-CG2 3.74Å; M17-I176 HydrophobicContact CG-CG2 4.23Å; M17-I176 HydrophobicContact SD-CB 4.01Å; M17-I176 HydrophobicContact SD-CD1 4.14Å; M17-I176 HydrophobicContact SD-CG2 3.66Å; M17-A177 HydrophobicContact CE-CB 4.16Å; M17-F181 HydrophobicContact CE-CD2 4.3Å; M17-F181 HydrophobicContact CE-CE2 3.63Å
18R96.7Very high88.9Confident36 Ų3653.3 Ų53.314%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-96.7115.8173.9-176.7170.5-177.5-79.2-2.1110.2Y80 E82 S83 T84 D85 G86R18-Y80 VanDerWaalsContact CZ-O 3.27Å; R18-Y80 PolarHBondContact NH1-O 3.28Å; R18-Y80 PolarHBondContact NH2-O 3.36Å; R18-E82 PolarHBondContact NH1-O 3.5Å; R18-S83 VanDerWaalsContact CB-O 3.3Å; R18-S83 WeakPolarHBondContact CB-O 3.39Å; R18-S83 VanDerWaalsContact CD-O 3.3Å; R18-S83 WeakPolarHBondContact CD-O 3.38Å; R18-T84 PolarHBondContact NH1-OG1 3.37Å; R18-D85 PolarHBondContact N-OD2 3.28Å; R18-D85 PolarHBondContact O-N 3.13Å; R18-G86 PolarHBondContact O-N 2.85Å
19L98.4Very high90.4Very high3 Ų350 Ų502%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-107.1130.5178-52.9-175.1000110L62 N63 I64 W65 G86 L172 I176L19-L62 HydrophobicContact CD1-CB 4.37Å; L19-L62 HydrophobicContact CD1-CD1 4.33Å; L19-N63 PolarHBondContact N-O 3.04Å; L19-I64 HydrophobicContact CB-CG1 4.25Å; L19-I64 HydrophobicContact CD1-CD1 4.48Å; L19-I64 HydrophobicContact CD1-CG1 4.24Å; L19-I64 CarbonylContact O-C 3.56Å; L19-I64 WeakPolarHBondContact O-CA 3.41Å; L19-W65 PolarHBondContact O-N 3.27Å; L19-G86 CarbonylContact C-O 3.51Å; L19-G86 VanDerWaalsContact CA-O 3.32Å; L19-G86 WeakPolarHBondContact CA-O 3.44Å; L19-L172 HydrophobicContact CD1-CD2 4.22Å; L19-L172 HydrophobicContact CD2-CD2 3.99Å; L19-I176 HydrophobicContact CD2-CD1 3.91Å
20L98.8Very high91.6Very high0 Ų045.1 Ų45.10%021%0.213CC..EExtended strand (participates in β ladder)trans-109.4117.6176.7179.360.6000109.3L22 W65 V67 F81 T84 G86 L87 V88L20-L22 HydrophobicContact CD1-CD1 4.41Å; L20-L22 HydrophobicContact CD1-CD2 4.38Å; L20-L22 HydrophobicContact CD1-CG 4.23Å; L20-L22 HydrophobicContact CD2-CD1 3.67Å; L20-L22 HydrophobicContact CD2-CG 4.3Å; L20-L22 HydrophobicContact CG-CD1 3.85Å; L20-L22 HydrophobicContact CG-CG 3.91Å; L20-W65 HydrophobicContact CD1-CB 3.94Å; L20-V67 HydrophobicContact CD1-CG2 3.9Å; L20-F81 HydrophobicContact CD2-CD1 3.73Å; L20-F81 HydrophobicContact CD2-CE1 4.23Å; L20-T84 HydrophobicContact CB-CG2 3.67Å; L20-G86 PolarHBondContact N-O 2.89Å; L20-L87 HydrophobicContact CD2-CD1 4.48Å; L20-L87 HydrophobicContact CG-CD1 4.47Å; L20-L87 CarbonylContact O-C 3.58Å; L20-L87 WeakPolarHBondContact O-CA 3.4Å; L20-V88 PolarHBondContact O-N 2.83Å
21M98.7Very high92.8Very high4 Ų441.6 Ų41.62%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-102.3115-179.7-169.3-178.9-61.900110.8K29 I32 I64 W65 V67 V88 V90M21-K29 HydrophobicContact CG-CB 4.06Å; M21-K29 HydrophobicContact CG-CD 4.32Å; M21-K29 HydrophobicContact CG-CG 4.09Å; M21-K29 HydrophobicContact SD-CB 3.75Å; M21-K29 HydrophobicContact SD-CG 4.3Å; M21-K29 VanDerWaalsContact SD-O 3.33Å; M21-I32 HydrophobicContact CE-CB 4.34Å; M21-I32 HydrophobicContact CE-CG2 3.78Å; M21-I32 HydrophobicContact SD-CB 4.28Å; M21-I32 HydrophobicContact SD-CG2 4.33Å; M21-I64 HydrophobicContact CE-CG2 4.14Å; M21-W65 PolarHBondContact N-O 3.01Å; M21-V67 PolarHBondContact O-N 3.28Å; M21-V88 CarbonylContact C-O 3.59Å; M21-V88 WeakPolarHBondContact CA-O 3.38Å; M21-V88 HydrophobicContact CB-CB 4.3Å; M21-V88 HydrophobicContact CE-CG1 4.36Å; M21-V88 HydrophobicContact CG-CB 4.13Å; M21-V88 HydrophobicContact CG-CG1 4.13Å; M21-V90 HydrophobicContact CG-CG2 3.76Å; M21-V90 HydrophobicContact SD-CG2 4.06Å
22L98.8Very high94.1Very high0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-132.1172.5-176.4-65.6177000111.3L20 K29 V67 W77 F81 L87 V88 W89 V90 L109L20-L22 HydrophobicContact CD1-CD1 4.41Å; L20-L22 HydrophobicContact CD1-CD2 4.38Å; L20-L22 HydrophobicContact CD1-CG 4.23Å; L20-L22 HydrophobicContact CD2-CD1 3.67Å; L20-L22 HydrophobicContact CD2-CG 4.3Å; L20-L22 HydrophobicContact CG-CD1 3.85Å; L20-L22 HydrophobicContact CG-CG 3.91Å; L22-K29 WeakPolarHBondContact O-CD 3.5Å; L22-V67 HydrophobicContact CD2-CB 3.67Å; L22-V67 HydrophobicContact CD2-CG1 4.37Å; L22-V67 HydrophobicContact CD2-CG2 4.08Å; L22-W77 HydrophobicContact CD1-CB 4.41Å; L22-W77 HydrophobicContact CD1-CD2 4.29Å; L22-W77 HydrophobicContact CD1-CE3 4.38Å; L22-W77 HydrophobicContact CD1-CG 4.35Å; L22-W77 HydrophobicContact CD2-CB 4.49Å; L22-W77 HydrophobicContact CD2-CD2 3.89Å; L22-W77 HydrophobicContact CD2-CG 3.82Å; L22-W77 HydrophobicContact CD2-CZ2 4.48Å; L22-F81 HydrophobicContact CD1-CE1 3.95Å; L22-L87 HydrophobicContact CB-CD1 4.44Å; L22-L87 HydrophobicContact CD1-CD1 4.1Å; L22-L87 HydrophobicContact CG-CD1 4.47Å; L22-V88 PolarHBondContact N-O 2.86Å; L22-W89 HydrophobicContact CB-CE3 3.9Å; L22-W89 HydrophobicContact CB-CZ3 3.87Å; L22-W89 WeakPolarHBondContact O-CA 3.32Å; L22-V90 PolarHBondContact O-N 3.19Å; L22-L109 HydrophobicContact CB-CD1 4.4Å; L22-L109 HydrophobicContact CD1-CD1 3.55Å
23G98.6Very high95.4Very high0 Ų035.2 Ų35.20%017%0.167CC..  trans139.6168-171.600000110.8K29 G69 W77 W89G23-K29 PolarHBondContact O-NZ 3.04Å; G23-G69 WeakPolarHBondContact O-CA 3.39Å; G23-W77 WeakPolarHBondContact O-CZ2 3.4Å; G23-W89 VanDerWaalsContact N-CZ3 3.35Å
24L98.6Very high96.4Very high10 Ų1028.8 Ų28.85%0.05214%0.14CC..SBendtrans-62.7161.8-177.8-48.6-170.3000111.9A27 K29 R98 D101 C102 E105L24-A27 VanDerWaalsContact O-CB 3.25Å; L24-A27 WeakPolarHBondContact O-CB 3Å; L24-A27 PolarHBondContact O-N 3.47Å; L24-K29 PolarHBondContact O-NZ 3.32Å; L24-R98 HydrophobicContact CD1-CB 3.92Å; L24-D101 HydrophobicContact CD1-CB 4.25Å; L24-C102 HydrophobicContact CD1-CB 3.89Å; L24-C102 HydrophobicContact CG-CB 4.19Å; L24-E105 HydrophobicContact CD2-CB 4.37Å; L24-E105 HydrophobicContact CD2-CG 4.02Å
25D98.1Very high97.3Very high47 Ų4727.4 Ų27.425%0.25113%0.132SC..THydrogen-bonded Turntrans-56149.2167.954.7-80.8000111.3A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 3Å; D25-A27 VanDerWaalsContact O-N 3.11Å; D25-G69 PolarHBondContact N-O 3.32Å; D25-G69 VanDerWaalsContact N-O 3.1Å; D25-Q70 HydrophobicContact CB-CG 4.05Å; D25-R74 IonicContact OD1-NH2 3.47Å; D25-R98 VanDerWaalsContact CG-NH1 3.32Å; D25-R98 PolarHBondContact O-NH2 3.03Å; D25-R98 IonicContact OD1-NH1 2.71Å; D25-R98 PolarHBondContact OD1-NH1 2.68Å; D25-R98 IonicContact OD2-CZ 3.64Å; D25-R98 IonicContact OD2-NH1 3.55Å; D25-R98 PolarHBondContact OD2-NH1 3.37Å; D25-R98 IonicContact OD2-NH2 2.82Å
26N97.9Very high97.5Very high112 Ų11224.6 Ų24.660%0.59912%0.123SC*.THydrogen-bonded Turntrans651.1-175.2-16242.2000115.9G28 K126N26-G28 PolarHBondContact O-N 2.87Å; N26-G28 VanDerWaalsContact O-N 3.15Å; N26-K126 PolarHBondContact ND2-NZ 2.98Å; N26-K126 WeakPolarHBondContact O-CE 3.15Å; N26-K126 PolarHBondContact O-NZ 3.25Å
27A98.4Very high97.5Very high2 Ų223.4 Ų23.42%0.01712%0.119CC..SBendtrans-63.6-19.7177.700000114.6L24 D25 V90 N125L24-A27 VanDerWaalsContact O-CB 3.25Å; L24-A27 WeakPolarHBondContact O-CB 3Å; L24-A27 PolarHBondContact O-N 3.47Å; D25-A27 PolarHBondContact O-N 3Å; D25-A27 VanDerWaalsContact O-N 3.11Å; A27-V90 HydrophobicContact CB-CB 4.24Å; A27-V90 HydrophobicContact CB-CG1 4.03Å; A27-V90 VanDerWaalsContact CB-O 3.29Å; A27-V90 WeakPolarHBondContact CB-O 3.39Å; A27-V90 WeakPolarHBondContact O-CG1 3.42Å; A27-N125 PolarHBondContact O-ND2 3.48Å
28G98.4Very high97.4Very high12 Ų1226.8 Ų26.812%0.12415%0.154CC..SBendtrans10117.6177.500000115.5N26 T31 I32N26-G28 PolarHBondContact O-N 2.87Å; N26-G28 VanDerWaalsContact O-N 3.15Å; G28-T31 VanDerWaalsContact O-CB 3.31Å; G28-T31 WeakPolarHBondContact O-CB 3.44Å; G28-T31 PolarHBondContact O-N 2.86Å; G28-I32 WeakPolarHBondContact O-CG1 3.4Å; G28-I32 PolarHBondContact O-N 3.46Å
29K98.6Very high97.3Very high11 Ų1128.3 Ų28.35%0.04816%0.162CC..Hα-helixtrans-53.2-56.8179.7-59.6-175.9-63.8-73.40113.6M21 L22 G23 L24 T31 I32 L33 D66 V67 V90M21-K29 HydrophobicContact CG-CB 4.06Å; M21-K29 HydrophobicContact CG-CD 4.32Å; M21-K29 HydrophobicContact CG-CG 4.09Å; M21-K29 HydrophobicContact SD-CB 3.75Å; M21-K29 HydrophobicContact SD-CG 4.3Å; M21-K29 VanDerWaalsContact SD-O 3.33Å; L22-K29 WeakPolarHBondContact O-CD 3.5Å; G23-K29 PolarHBondContact O-NZ 3.04Å; L24-K29 PolarHBondContact O-NZ 3.32Å; K29-T31 PolarHBondContact O-N 3.5Å; K29-I32 WeakPolarHBondContact O-CB 3.38Å; K29-I32 PolarHBondContact O-N 3.35Å; K29-I32 VanDerWaalsContact O-N 3.11Å; K29-L33 PolarHBondContact O-N 3.28Å; K29-D66 WeakPolarHBondContact CB-OD1 3.43Å; K29-V67 WeakPolarHBondContact CE-O 3.34Å; K29-V90 HydrophobicContact CG-CB 3.79Å; K29-V90 HydrophobicContact CG-CG1 4.41Å; K29-V90 HydrophobicContact CG-CG2 3.79Å
30T98.2Very high97.1Very high20 Ų2032.9 Ų32.912%0.12319%0.187CC..Hα-helixtrans-62.1-33.8177.9-48.10000112.2L33 K34 I44 T47 D66T30-L33 PolarHBondContact O-N 3.06Å; T30-K34 WeakPolarHBondContact O-CB 3.47Å; T30-K34 WeakPolarHBondContact O-CG 3.34Å; T30-K34 PolarHBondContact O-N 2.85Å; T30-I44 HydrophobicContact CG2-CG2 4.33Å; T30-T47 PolarHBondContact OG1-OG1 2.84Å; T30-D66 WeakPolarHBondContact CA-OD2 3.15Å; T30-D66 WeakPolarHBondContact CB-OD2 3.43Å; T30-D66 PolarHBondContact N-OD1 3.48Å; T30-D66 PolarHBondContact OG1-OD1 2.96Å; T30-D66 PolarHBondContact OG1-OD2 3.23Å
31T98.5Very high96.9Very high19 Ų1934.3 Ų34.312%0.11720%0.196CC..Hα-helixtrans-62.6-45.8174.2-48.40000111.2G28 K29 K34 K35 V41 A159 V160G28-T31 VanDerWaalsContact O-CB 3.31Å; G28-T31 WeakPolarHBondContact O-CB 3.44Å; G28-T31 PolarHBondContact O-N 2.86Å; K29-T31 PolarHBondContact O-N 3.5Å; T31-K34 PolarHBondContact O-N 3.36Å; T31-K35 VanDerWaalsContact O-CB 3.27Å; T31-K35 WeakPolarHBondContact O-CB 3.37Å; T31-K35 PolarHBondContact O-N 2.95Å; T31-V41 HydrophobicContact CG2-CB 3.97Å; T31-V41 HydrophobicContact CG2-CG1 3.94Å; T31-A159 HydrophobicContact CG2-CB 3.68Å; T31-V160 HydrophobicContact CG2-CG1 4.31Å
32I98.5Very high96.5Very high0 Ų038.4 Ų38.40%023%0.225CC..Hα-helixtrans-59.1-49.1175.7-68.5171.9000110.1M21 G28 K29 K34 K35 F36 V90 F123 A159 L165M21-I32 HydrophobicContact CE-CB 4.34Å; M21-I32 HydrophobicContact CE-CG2 3.78Å; M21-I32 HydrophobicContact SD-CB 4.28Å; M21-I32 HydrophobicContact SD-CG2 4.33Å; G28-I32 WeakPolarHBondContact O-CG1 3.4Å; G28-I32 PolarHBondContact O-N 3.46Å; K29-I32 WeakPolarHBondContact O-CB 3.38Å; K29-I32 PolarHBondContact O-N 3.35Å; K29-I32 VanDerWaalsContact O-N 3.11Å; I32-K34 PolarHBondContact O-N 2.87Å; I32-K35 PolarHBondContact O-N 2.73Å; I32-F36 HydrophobicContact CG2-CD2 3.8Å; I32-F36 HydrophobicContact CG2-CE2 3.31Å; I32-F36 HydrophobicContact CG2-CZ 4.07Å; I32-F36 VanDerWaalsContact O-CD2 3.32Å; I32-F36 WeakPolarHBondContact O-CD2 3.35Å; I32-F36 PolarHBondContact O-N 2.82Å; I32-V90 HydrophobicContact CD1-CB 4.47Å; I32-V90 HydrophobicContact CD1-CG1 3.67Å; I32-V90 HydrophobicContact CD1-CG2 3.88Å; I32-F123 HydrophobicContact CD1-CB 4.45Å; I32-F123 HydrophobicContact CD1-CD2 3.97Å; I32-F123 HydrophobicContact CD1-CG 4.42Å; I32-F123 HydrophobicContact CG2-CE2 4.48Å; I32-A159 HydrophobicContact CD1-CB 4.46Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; I32-L165 HydrophobicContact CD1-CD2 4.33Å; I32-L165 HydrophobicContact CG1-CD2 4Å; I32-L165 HydrophobicContact CG2-CD1 4.44Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å
33L97.8Very high96.2Very high5 Ų543.3 Ų43.33%0.02626%0.255CS..Hα-helixtrans-59.2-47-179.8-175.360.2000112.1K29 T30 K35 F36 N37 N51 K53 I64 D66K29-L33 PolarHBondContact O-N 3.28Å; T30-L33 PolarHBondContact O-N 3.06Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.87Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-N37 PolarHBondContact O-N 3.42Å; L33-N51 HydrophobicContact CD2-CB 4.07Å; L33-K53 HydrophobicContact CD1-CB 3.93Å; L33-K53 HydrophobicContact CD1-CG 4.2Å; L33-K53 HydrophobicContact CD2-CB 4.38Å; L33-K53 HydrophobicContact CD2-CG 3.93Å; L33-K53 HydrophobicContact CG-CB 4.37Å; L33-K53 HydrophobicContact CG-CG 4.08Å; L33-I64 HydrophobicContact CD1-CB 3.92Å; L33-I64 HydrophobicContact CD1-CD1 4.15Å; L33-I64 HydrophobicContact CD1-CG2 3.82Å; L33-D66 HydrophobicContact CD2-CB 3.62Å
34K97.3Very high95.8Very high55 Ų5546.1 Ų46.124%0.23927%0.269CS..Hα-helixtrans-63.5-40.1176.3-77.6-158.5-178.8-179.20112.2T30 T31 I32 F36 N37 G38 E39 D40 V41 I44T30-K34 WeakPolarHBondContact O-CB 3.47Å; T30-K34 WeakPolarHBondContact O-CG 3.34Å; T30-K34 PolarHBondContact O-N 2.85Å; T31-K34 PolarHBondContact O-N 3.36Å; I32-K34 PolarHBondContact O-N 2.87Å; K34-F36 VanDerWaalsContact C-N 3.33Å; K34-F36 PolarHBondContact O-N 3.18Å; K34-N37 CarbonylContact O-C 3.42Å; K34-N37 PolarHBondContact O-N 2.78Å; K34-N37 VanDerWaalsContact O-N 3.08Å; K34-G38 PolarHBondContact O-N 3.39Å; K34-E39 HydrophobicContact CB-CB 3.93Å; K34-E39 HydrophobicContact CD-CB 4.21Å; K34-E39 HydrophobicContact CG-CB 4.15Å; K34-E39 PolarHBondContact O-N 3.46Å; K34-D40 WeakPolarHBondContact CD-O 3.47Å; K34-V41 HydrophobicContact CB-CG1 3.87Å; K34-I44 HydrophobicContact CD-CD1 3.61Å
35K96.9Very high95.5Very high68 Ų6850.6 Ų50.630%0.29630%0.301SS..Hα-helixtrans-62-41.2178.7-167.571.3178.5-165.70111.6T31 I32 L33 N37 G38 V41 A159 V160 T161 L165T31-K35 VanDerWaalsContact O-CB 3.27Å; T31-K35 WeakPolarHBondContact O-CB 3.37Å; T31-K35 PolarHBondContact O-N 2.95Å; I32-K35 PolarHBondContact O-N 2.73Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.87Å; K35-N37 VanDerWaalsContact C-N 3.25Å; K35-N37 PolarHBondContact O-N 3.16Å; K35-G38 PolarHBondContact O-N 2.91Å; K35-G38 VanDerWaalsContact O-N 3.13Å; K35-V41 HydrophobicContact CB-CG1 4.42Å; K35-A159 WeakPolarHBondContact CD-O 3.34Å; K35-A159 WeakPolarHBondContact CG-O 3.23Å; K35-V160 PolarHBondContact NZ-O 3.22Å; K35-T161 VanDerWaalsContact CE-O 3.23Å; K35-T161 WeakPolarHBondContact CE-O 3.44Å; K35-T161 PolarHBondContact NZ-O 3.43Å; K35-T161 VanDerWaalsContact NZ-O 3.13Å; K35-L165 HydrophobicContact CB-CD1 4.02Å; K35-L165 HydrophobicContact CG-CD1 3.83Å
36F94Very high95.4Very high44 Ų4452.8 Ų52.819%0.19332%0.318CS..Hα-helixtrans-61.5-34173.6-74-50.9000113.2I32 L33 K34 G38 L55 L165 L166 V169I32-F36 HydrophobicContact CG2-CD2 3.8Å; I32-F36 HydrophobicContact CG2-CE2 3.31Å; I32-F36 HydrophobicContact CG2-CZ 4.07Å; I32-F36 VanDerWaalsContact O-CD2 3.32Å; I32-F36 WeakPolarHBondContact O-CD2 3.35Å; I32-F36 PolarHBondContact O-N 2.82Å; L33-F36 PolarHBondContact O-N 3.38Å; K34-F36 VanDerWaalsContact C-N 3.33Å; K34-F36 PolarHBondContact O-N 3.18Å; F36-G38 VanDerWaalsContact C-N 3.27Å; F36-G38 PolarHBondContact O-N 3.39Å; F36-L55 HydrophobicContact CB-CD1 3.56Å; F36-L55 HydrophobicContact CG-CD1 4.3Å; F36-L165 HydrophobicContact CE1-CB 3.58Å; F36-L165 HydrophobicContact CE1-CD1 4.47Å; F36-L165 HydrophobicContact CZ-CB 3.68Å; F36-L166 HydrophobicContact CD1-CD2 4.31Å; F36-L166 HydrophobicContact CE1-CD2 4.1Å; F36-V169 HydrophobicContact CE1-CG2 4.01Å; F36-V169 HydrophobicContact CE2-CG2 3.93Å; F36-V169 HydrophobicContact CZ-CB 4.5Å; F36-V169 HydrophobicContact CZ-CG2 3.34Å
37N92.2Very high95.1Very high43 Ų4348.6 Ų48.623%0.2330%0.296CS..THydrogen-bonded Turntrans-81.8-1.9177.8-66.3-0.2000113.8L33 K34 K35 E39 K53 L55L33-N37 PolarHBondContact O-N 3.42Å; K34-N37 CarbonylContact O-C 3.42Å; K34-N37 PolarHBondContact O-N 2.78Å; K34-N37 VanDerWaalsContact O-N 3.08Å; K35-N37 VanDerWaalsContact C-N 3.25Å; K35-N37 PolarHBondContact O-N 3.16Å; N37-E39 HydrophobicContact CB-CB 4.48Å; N37-E39 HydrophobicContact CB-CG 3.74Å; N37-E39 WeakPolarHBondContact CB-OE1 3.39Å; N37-E39 PolarHBondContact ND2-OE1 3.24Å; N37-E39 PolarHBondContact O-N 3.14Å; N37-K53 WeakPolarHBondContact ND2-CD 3.29Å; N37-K53 VanDerWaalsContact ND2-CG 3.31Å; N37-K53 WeakPolarHBondContact ND2-CG 3.36Å; N37-L55 WeakPolarHBondContact OD1-CD2 3.28Å; N37-L55 WeakPolarHBondContact OD1-CG 3.44Å
38G92.9Very high94.7Very high72 Ų7254.8 Ų54.874%0.74233%0.328SS*.THydrogen-bonded Turntrans64.422.9-170.700000113.5K34 K35 F36K34-G38 PolarHBondContact O-N 3.39Å; K35-G38 PolarHBondContact O-N 2.91Å; K35-G38 VanDerWaalsContact O-N 3.13Å; F36-G38 VanDerWaalsContact C-N 3.27Å; F36-G38 PolarHBondContact O-N 3.39Å
39E94.5Very high94.5Very high67 Ų6755.8 Ų55.831%0.31334%0.339SS..  trans-81.1157.1176.9-68.2175.1-147.400111.1K34 N37 V41 K53K34-E39 HydrophobicContact CB-CB 3.93Å; K34-E39 HydrophobicContact CD-CB 4.21Å; K34-E39 HydrophobicContact CG-CB 4.15Å; K34-E39 PolarHBondContact O-N 3.46Å; N37-E39 HydrophobicContact CB-CB 4.48Å; N37-E39 HydrophobicContact CB-CG 3.74Å; N37-E39 WeakPolarHBondContact CB-OE1 3.39Å; N37-E39 PolarHBondContact ND2-OE1 3.24Å; N37-E39 PolarHBondContact O-N 3.14Å; E39-V41 PolarHBondContact O-N 3.1Å; E39-K53 WeakPolarHBondContact OE1-CE 3.36Å; E39-K53 IonicContact OE1-NZ 3.55Å; E39-K53 PolarHBondContact OE1-NZ 2.85Å
40D93.4Very high94.4Very high99 Ų9959.7 Ų59.753%0.52936%0.356SS..  trans-64.8133174.917940.4000111.7K34 S42K34-D40 WeakPolarHBondContact CD-O 3.47Å; D40-S42 WeakPolarHBondContact OD1-CB 3.17Å; D40-S42 PolarHBondContact OD1-N 3.49Å; D40-S42 PolarHBondContact OD1-OG 2.86Å; D40-S42 PolarHBondContact OD2-OG 3.15Å
41V94.9Very high94.2Very high31 Ų3161.9 Ų61.919%0.18837%0.367CS..  trans-112.33.7-178.2-66.40000112.9T31 K34 K35 E39 T43T31-V41 HydrophobicContact CG2-CB 3.97Å; T31-V41 HydrophobicContact CG2-CG1 3.94Å; K34-V41 HydrophobicContact CB-CG1 3.87Å; K35-V41 HydrophobicContact CB-CG1 4.42Å; E39-V41 PolarHBondContact O-N 3.1Å; V41-T43 VanDerWaalsContact C-N 3.29Å; V41-T43 PolarHBondContact O-N 3.08Å
42S90.8Very high94.1Very high90 Ų9064.5 Ų64.563%0.62938%0.379SS*.SBendtrans-64.1-33.9-178.774.70000113D40D40-S42 WeakPolarHBondContact OD1-CB 3.17Å; D40-S42 PolarHBondContact OD1-N 3.49Å; D40-S42 PolarHBondContact OD1-OG 2.86Å; D40-S42 PolarHBondContact OD2-OG 3.15Å
43T90.7Very high94Very high103 Ų10368.2 Ų68.263%0.63240%0.396SS*.  trans-126.5112.3-178.853.90000110.5V41V41-T43 VanDerWaalsContact C-N 3.29Å; V41-T43 PolarHBondContact O-N 3.08Å
44I92Very high93.9Very high59 Ų5971.9 Ų71.930%0.30342%0.419SS..  trans-129.7119.1178.4-54.2-68.3000108.5T30 K34T30-I44 HydrophobicContact CG2-CG2 4.33Å; K34-I44 HydrophobicContact CD-CD1 3.61Å
45S92.5Very high93.7Very high103 Ų10371 Ų7172%0.7242%0.416SS*.PPolyproline II helixtrans-90.9152.5171.2-62.20000110.4T47S45-T47 PolarHBondContact O-N 3.02Å
46P94.1Very high93.6Very high94 Ų9475.1 Ų75.161%0.6144%0.436SS*.PPolyproline II helixtrans-56.3132.4172.8-24.934.4000112.3L48P46-L48 PolarHBondContact O-N 3.46Å
47T93.3Very high93.6Very high23 Ų2375.5 Ų75.514%0.14144%0.439CS..PPolyproline II helixtrans-75.8118.6178.6-53.40000110.5T30 S45 G68T30-T47 PolarHBondContact OG1-OG1 2.84Å; S45-T47 PolarHBondContact O-N 3.02Å; T47-G68 VanDerWaalsContact O-CA 3.28Å; T47-G68 WeakPolarHBondContact O-CA 3.27Å
48L89.4Confident93.6Very high132 Ų13277.6 Ų77.669%0.69145%0.446SS*.SBendtrans-86.6-11.4178.3-63.7178.3000113.8P46 L73P46-L48 PolarHBondContact O-N 3.46Å; L48-L73 WeakPolarHBondContact O-CD1 3.44Å
49G93.7Very high93.5Very high34 Ų3476.8 Ų76.835%0.35144%0.437SS..SBendtrans-141.6-111.5179.900000110.8G68G49-G68 PolarHBondContact O-N 2.87Å
50F95.9Very high93.4Very high93 Ų9374.3 Ų74.341%0.40843%0.426SS..EExtended strand (participates in β ladder)trans-147.3158.8177.565.2-82.6000111.7I52 W65 D66 V67 Y80F50-I52 HydrophobicContact CD2-CD1 4.15Å; F50-I52 HydrophobicContact CD2-CG1 3.78Å; F50-I52 HydrophobicContact CE2-CD1 3.7Å; F50-I52 HydrophobicContact CE2-CG1 3.82Å; F50-W65 AromaticContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CE3 3.96Å; F50-W65 AromaticContact CD2-CZ3 3.97Å; F50-W65 HydrophobicContact CD2-CZ3 3.97Å; F50-W65 HydrophobicContact CE2-CE3 4.31Å; F50-W65 AromaticContact CE2-CZ3 3.86Å; F50-W65 HydrophobicContact CE2-CZ3 3.86Å; F50-W65 HydrophobicContact CZ-CZ3 4.47Å; F50-D66 CarbonylContact C-O 3.58Å; F50-D66 WeakPolarHBondContact CA-O 3.47Å; F50-D66 WeakPolarHBondContact CB-O 3.13Å; F50-V67 HydrophobicContact CB-CG2 4.13Å; F50-Y80 HydrophobicContact CB-CE1 4.39Å; F50-Y80 AromaticContact CD1-CE1 3.74Å; F50-Y80 HydrophobicContact CD1-CE1 3.74Å; F50-Y80 AromaticContact CD1-CZ 3.72Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.02Å; F50-Y80 HydrophobicContact CD2-CE1 4.48Å; F50-Y80 HydrophobicContact CE1-CE1 4.11Å; F50-Y80 AromaticContact CG-CE1 3.94Å; F50-Y80 HydrophobicContact CG-CE1 3.94Å
51N95.4Very high93.5Very high65 Ų6573.7 Ų73.735%0.34842%0.418SS..EExtended strand (participates in β ladder)trans-118.3145.1168.2-60.7-68.5000109L33 W65 D66L33-N51 HydrophobicContact CD2-CB 4.07Å; N51-W65 WeakPolarHBondContact O-CA 3.36Å; N51-D66 HydrophobicContact CB-CB 4.28Å; N51-D66 PolarHBondContact N-O 2.92Å; N51-D66 PolarHBondContact ND2-OD2 3.16Å; N51-D66 PolarHBondContact O-N 2.58Å
52I95.6Very high93.6Very high74 Ų7472.4 Ų72.438%0.37941%0.41SS..EExtended strand (participates in β ladder)trans-120.6130.9170.5-54.3175.1000108.1F50 I64 W65F50-I52 HydrophobicContact CD2-CD1 4.15Å; F50-I52 HydrophobicContact CD2-CG1 3.78Å; F50-I52 HydrophobicContact CE2-CD1 3.7Å; F50-I52 HydrophobicContact CE2-CG1 3.82Å; I52-I64 WeakPolarHBondContact CA-O 3.27Å; I52-W65 HydrophobicContact CD1-CD2 3.95Å; I52-W65 HydrophobicContact CD1-CE3 3.87Å; I52-W65 HydrophobicContact CD1-CH2 3.43Å; I52-W65 VanDerWaalsContact CD1-CH2 3.43Å; I52-W65 HydrophobicContact CD1-CZ2 3.47Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.47Å; I52-W65 HydrophobicContact CD1-CZ3 3.62Å; I52-W65 HydrophobicContact CG1-CD2 3.85Å; I52-W65 HydrophobicContact CG1-CE3 3.89Å; I52-W65 HydrophobicContact CG1-CG 4.39Å; I52-W65 HydrophobicContact CG1-CH2 4.35Å; I52-W65 HydrophobicContact CG1-CZ2 4.29Å; I52-W65 HydrophobicContact CG1-CZ3 4.14Å
53K95.6Very high93.9Very high78 Ų7869.8 Ų69.834%0.33939%0.389SS..EExtended strand (participates in β ladder)trans-133.1139.1167.8-65.1-75-175.9147.70109.6L33 N37 E39 I64L33-K53 HydrophobicContact CD1-CB 3.93Å; L33-K53 HydrophobicContact CD1-CG 4.2Å; L33-K53 HydrophobicContact CD2-CB 4.38Å; L33-K53 HydrophobicContact CD2-CG 3.93Å; L33-K53 HydrophobicContact CG-CB 4.37Å; L33-K53 HydrophobicContact CG-CG 4.08Å; N37-K53 WeakPolarHBondContact ND2-CD 3.29Å; N37-K53 VanDerWaalsContact ND2-CG 3.31Å; N37-K53 WeakPolarHBondContact ND2-CG 3.36Å; E39-K53 WeakPolarHBondContact OE1-CE 3.36Å; E39-K53 IonicContact OE1-NZ 3.55Å; E39-K53 PolarHBondContact OE1-NZ 2.85Å; K53-I64 PolarHBondContact N-O 2.83Å; K53-I64 PolarHBondContact O-N 2.86Å
54T96.1Very high94.2Very high83 Ų8365.1 Ų65.151%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-101.3125171-56.70000108.1L62 N63T54-L62 CarbonylContact C-O 3.6Å; T54-L62 VanDerWaalsContact CA-O 3.27Å; T54-L62 WeakPolarHBondContact CA-O 3.41Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.44Å; T54-N63 PolarHBondContact OG1-OD1 2.92Å
55L94.4Very high94.5Very high36 Ų3665 Ų6519%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-119.7153177.5-69.8175.9000110.6F36 N37 K61 L62 I64F36-L55 HydrophobicContact CB-CD1 3.56Å; F36-L55 HydrophobicContact CG-CD1 4.3Å; N37-L55 WeakPolarHBondContact OD1-CD2 3.28Å; N37-L55 WeakPolarHBondContact OD1-CG 3.44Å; L55-K61 CarbonylContact O-C 3.56Å; L55-K61 WeakPolarHBondContact O-CA 3.25Å; L55-L62 HydrophobicContact CB-CB 4.39Å; L55-L62 PolarHBondContact N-O 3.36Å; L55-L62 PolarHBondContact O-N 3.4Å; L55-I64 HydrophobicContact CD1-CD1 3.81Å
56E94.2Very high94.8Very high154 Ų15460 Ų6072%0.7232%0.322SS*.EExtended strand (participates in β ladder)trans-109.2124.1171.1-66.2-170.8174.400109.5F60 K61E56-F60 WeakPolarHBondContact CA-O 2.91Å; E56-K61 HydrophobicContact CG-CG 4.19Å
57H94.4Very high95Very high52 Ų5255.9 Ų55.924%0.24129%0.294CS..EExtended strand (participates in β ladder)trans-150.2136.6177.9-171.549.7000110.9G59 F60 L62 D170 L173H57-G59 PolarHBondContact O-N 3.37Å; H57-F60 PolarHBondContact N-O 3.44Å; H57-F60 WeakPolarHBondContact O-CB 3.3Å; H57-F60 PolarHBondContact O-N 2.89Å; H57-L62 HydrophobicContact CB-CD1 4.03Å; H57-D170 IonicContact CD2-OD1 2.65Å; H57-D170 IonicContact CE1-OD1 4Å; H57-D170 IonicContact NE2-OD1 3.98Å; H57-D170 PolarHBondContact NE2-OD1 3.01Å; H57-L173 HydrophobicContact CB-CD1 4.47Å
58K91.5Very high95.2Very high87 Ų8754.9 Ų54.938%0.37829%0.289SS..THydrogen-bonded Turntrans49.629.5-175.6-73179.7161.4179.40114.7R15 F60 D170 L173 D174R15-K58 PolarHBondContact NH2-O 2.97Å; K58-F60 HydrophobicContact CB-CD2 4.18Å; K58-F60 PolarHBondContact O-N 3.1Å; K58-D170 WeakPolarHBondContact CD-OD1 3.21Å; K58-D170 WeakPolarHBondContact CE-OD1 3.47Å; K58-D170 IonicContact NZ-OD1 2.82Å; K58-D170 PolarHBondContact NZ-OD1 3.07Å; K58-L173 HydrophobicContact CB-CD1 4.49Å; K58-L173 HydrophobicContact CD-CD1 4.44Å; K58-D174 VanDerWaalsContact NZ-CG 3.31Å; K58-D174 IonicContact NZ-OD1 3.01Å; K58-D174 PolarHBondContact NZ-OD1 3.13Å; K58-D174 IonicContact NZ-OD2 3.71Å; K58-D174 PolarHBondContact NZ-OD2 3.18Å
59G90.3Very high95.5Very high55 Ų5548.8 Ų48.857%0.56726%0.258SS*.THydrogen-bonded Turntrans71.914.5-176.400000114.5R15 H57R15-G59 VanDerWaalsContact CZ-O 3.3Å; R15-G59 PolarHBondContact NE-O 2.94Å; H57-G59 PolarHBondContact O-N 3.37Å
60F93.5Very high95.7Very high16 Ų1649.9 Ų49.97%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-103146.8167.5-63.4-75.9000110.2R15 M17 E56 H57 K58 L62 L173 A177 F181R15-F60 HydrophobicContact CB-CD1 3.8Å; R15-F60 HydrophobicContact CB-CE1 4.22Å; R15-F60 HydrophobicContact CG-CD1 4.47Å; R15-F60 HydrophobicContact CG-CE1 4.41Å; R15-F60 VanDerWaalsContact O-CA 3.27Å; R15-F60 WeakPolarHBondContact O-CA 3.3Å; R15-F60 WeakPolarHBondContact O-CD1 3.48Å; M17-F60 HydrophobicContact CE-CD1 3.71Å; M17-F60 HydrophobicContact CE-CD2 4.14Å; M17-F60 HydrophobicContact CE-CE1 3.67Å; M17-F60 HydrophobicContact CE-CE2 4.06Å; M17-F60 HydrophobicContact CE-CG 3.95Å; M17-F60 HydrophobicContact CE-CZ 3.83Å; M17-F60 HydrophobicContact CG-CD1 4.49Å; E56-F60 WeakPolarHBondContact CA-O 2.91Å; H57-F60 PolarHBondContact N-O 3.44Å; H57-F60 WeakPolarHBondContact O-CB 3.3Å; H57-F60 PolarHBondContact O-N 2.89Å; K58-F60 HydrophobicContact CB-CD2 4.18Å; K58-F60 PolarHBondContact O-N 3.1Å; F60-L62 HydrophobicContact CB-CD2 3.84Å; F60-L173 HydrophobicContact CD2-CD1 4.37Å; F60-A177 HydrophobicContact CZ-CB 3.94Å; F60-F181 HydrophobicContact CD1-CE2 4.09Å; F60-F181 AromaticContact CE1-CD2 3.7Å; F60-F181 HydrophobicContact CE1-CD2 3.7Å; F60-F181 AromaticContact CE1-CE2 3.42Å; F60-F181 HydrophobicContact CE1-CE2 3.42Å; F60-F181 VanDerWaalsContact CE1-CE2 3.42Å; F60-F181 HydrophobicContact CE1-CZ 4.24Å; F60-F181 HydrophobicContact CZ-CD2 4.13Å; F60-F181 HydrophobicContact CZ-CE2 4.22Å
61K95.2Very high95.7Very high85 Ų8552.6 Ų52.637%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-95.5116.2167.5-72.5174.6-179.6-179.50108.8R15 E16 M17 L55 E56R15-K61 PolarHBondContact O-N 3.39Å; E16-K61 CarbonylContact C-O 3.59Å; E16-K61 WeakPolarHBondContact CA-O 3.31Å; E16-K61 HydrophobicContact CG-CB 3.99Å; E16-K61 HydrophobicContact CG-CD 4.11Å; E16-K61 IonicContact OE1-NZ 3.91Å; M17-K61 PolarHBondContact N-O 3Å; L55-K61 CarbonylContact O-C 3.56Å; L55-K61 WeakPolarHBondContact O-CA 3.25Å; E56-K61 HydrophobicContact CG-CG 4.19Å
62L96.4Very high95.8Very high4 Ų453.7 Ų53.72%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-99.9109-176.5-47.6-174.8000109.2M17 L19 T54 L55 H57 F60 I64 V169 L173M17-L62 HydrophobicContact CB-CD2 4.1Å; M17-L62 HydrophobicContact SD-CD2 4.38Å; L19-L62 HydrophobicContact CD1-CB 4.37Å; L19-L62 HydrophobicContact CD1-CD1 4.33Å; T54-L62 CarbonylContact C-O 3.6Å; T54-L62 VanDerWaalsContact CA-O 3.27Å; T54-L62 WeakPolarHBondContact CA-O 3.41Å; L55-L62 HydrophobicContact CB-CB 4.39Å; L55-L62 PolarHBondContact N-O 3.36Å; L55-L62 PolarHBondContact O-N 3.4Å; H57-L62 HydrophobicContact CB-CD1 4.03Å; F60-L62 HydrophobicContact CB-CD2 3.84Å; L62-I64 HydrophobicContact CB-CD1 4.46Å; L62-I64 HydrophobicContact CB-CG1 4.15Å; L62-I64 PolarHBondContact O-N 3.45Å; L62-V169 HydrophobicContact CD1-CG1 4.03Å; L62-L173 HydrophobicContact CD1-CD1 4.18Å; L62-L173 HydrophobicContact CD1-CD2 4.12Å; L62-L173 HydrophobicContact CD2-CD1 4.18Å; L62-L173 HydrophobicContact CD2-CD2 3.35Å; L62-L173 HydrophobicContact CD2-CG 4.41Å; L62-L173 HydrophobicContact CG-CD2 4.38Å
63N97.1Very high95.7Very high35 Ų3551.8 Ų51.819%0.18727%0.269CS..EExtended strand (participates in β ladder)trans-89.995.8173.6-67-47.7000108.6M17 L19 T54M17-N63 PolarHBondContact O-N 2.94Å; L19-N63 PolarHBondContact N-O 3.04Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.44Å; T54-N63 PolarHBondContact OG1-OD1 2.92Å
64I98.1Very high95.8Very high5 Ų549 Ų493%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-96124-173.8-49.6-177.7000110.4L19 M21 L33 I52 K53 L55 L62L19-I64 HydrophobicContact CB-CG1 4.25Å; L19-I64 HydrophobicContact CD1-CD1 4.48Å; L19-I64 HydrophobicContact CD1-CG1 4.24Å; L19-I64 CarbonylContact O-C 3.56Å; L19-I64 WeakPolarHBondContact O-CA 3.41Å; M21-I64 HydrophobicContact CE-CG2 4.14Å; L33-I64 HydrophobicContact CD1-CB 3.92Å; L33-I64 HydrophobicContact CD1-CD1 4.15Å; L33-I64 HydrophobicContact CD1-CG2 3.82Å; I52-I64 WeakPolarHBondContact CA-O 3.27Å; K53-I64 PolarHBondContact N-O 2.83Å; K53-I64 PolarHBondContact O-N 2.86Å; L55-I64 HydrophobicContact CD1-CD1 3.81Å; L62-I64 HydrophobicContact CB-CD1 4.46Å; L62-I64 HydrophobicContact CB-CG1 4.15Å; L62-I64 PolarHBondContact O-N 3.45Å
65W98.4Very high95.7Very high56 Ų5648.1 Ų48.121%0.21225%0.254CS..EExtended strand (participates in β ladder)trans-104.6107.6175.6-68.367.2000109.6L19 L20 M21 F50 N51 I52 Y80L19-W65 PolarHBondContact O-N 3.27Å; L20-W65 HydrophobicContact CD1-CB 3.94Å; M21-W65 PolarHBondContact N-O 3.01Å; F50-W65 AromaticContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CE3 3.96Å; F50-W65 AromaticContact CD2-CZ3 3.97Å; F50-W65 HydrophobicContact CD2-CZ3 3.97Å; F50-W65 HydrophobicContact CE2-CE3 4.31Å; F50-W65 AromaticContact CE2-CZ3 3.86Å; F50-W65 HydrophobicContact CE2-CZ3 3.86Å; F50-W65 HydrophobicContact CZ-CZ3 4.47Å; N51-W65 WeakPolarHBondContact O-CA 3.36Å; I52-W65 HydrophobicContact CD1-CD2 3.95Å; I52-W65 HydrophobicContact CD1-CE3 3.87Å; I52-W65 HydrophobicContact CD1-CH2 3.43Å; I52-W65 VanDerWaalsContact CD1-CH2 3.43Å; I52-W65 HydrophobicContact CD1-CZ2 3.47Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.47Å; I52-W65 HydrophobicContact CD1-CZ3 3.62Å; I52-W65 HydrophobicContact CG1-CD2 3.85Å; I52-W65 HydrophobicContact CG1-CE3 3.89Å; I52-W65 HydrophobicContact CG1-CG 4.39Å; I52-W65 HydrophobicContact CG1-CH2 4.35Å; I52-W65 HydrophobicContact CG1-CZ2 4.29Å; I52-W65 HydrophobicContact CG1-CZ3 4.14Å; W65-Y80 AromaticContact CE3-CD1 3.57Å; W65-Y80 HydrophobicContact CE3-CD1 3.57Å; W65-Y80 HydrophobicContact CE3-CE1 4.06Å; W65-Y80 AromaticContact CZ3-CD1 3.59Å; W65-Y80 HydrophobicContact CZ3-CD1 3.59Å; W65-Y80 AromaticContact CZ3-CE1 3.85Å; W65-Y80 HydrophobicContact CZ3-CE1 3.85Å
66D97.8Very high95.8Very high0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-93.5118.1171.9161.850.6000109.2K29 T30 L33 F50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.43Å; T30-D66 WeakPolarHBondContact CA-OD2 3.15Å; T30-D66 WeakPolarHBondContact CB-OD2 3.43Å; T30-D66 PolarHBondContact N-OD1 3.48Å; T30-D66 PolarHBondContact OG1-OD1 2.96Å; T30-D66 PolarHBondContact OG1-OD2 3.23Å; L33-D66 HydrophobicContact CD2-CB 3.62Å; F50-D66 CarbonylContact C-O 3.58Å; F50-D66 WeakPolarHBondContact CA-O 3.47Å; F50-D66 WeakPolarHBondContact CB-O 3.13Å; N51-D66 HydrophobicContact CB-CB 4.28Å; N51-D66 PolarHBondContact N-O 2.92Å; N51-D66 PolarHBondContact ND2-OD2 3.16Å; N51-D66 PolarHBondContact O-N 2.58Å
67V98.2Very high96Very high6 Ų645.6 Ų45.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-115.4141.7-175.6-171.60000110.7L20 M21 L22 K29 F50 G69 Y80L20-V67 HydrophobicContact CD1-CG2 3.9Å; M21-V67 PolarHBondContact O-N 3.28Å; L22-V67 HydrophobicContact CD2-CB 3.67Å; L22-V67 HydrophobicContact CD2-CG1 4.37Å; L22-V67 HydrophobicContact CD2-CG2 4.08Å; K29-V67 WeakPolarHBondContact CE-O 3.34Å; F50-V67 HydrophobicContact CB-CG2 4.13Å; V67-G69 PolarHBondContact O-N 2.58Å; V67-Y80 HydrophobicContact CG1-CD2 3.94Å; V67-Y80 HydrophobicContact CG1-CE2 3.72Å; V67-Y80 HydrophobicContact CG2-CD2 3.89Å; V67-Y80 HydrophobicContact CG2-CE2 4.26Å; V67-Y80 HydrophobicContact CG2-CG 4.07Å
68G97.3Very high96.1Very high2 Ų249.8 Ų49.82%0.02125%0.25CC..  trans-53.2135.617700000113.1T47 G49 W77T47-G68 VanDerWaalsContact O-CA 3.28Å; T47-G68 WeakPolarHBondContact O-CA 3.27Å; G49-G68 PolarHBondContact O-N 2.87Å; G68-W77 PolarHBondContact O-NE1 2.82Å
69G97.4Very high96.4Very high4 Ų450.5 Ų50.54%0.04126%0.258CS..  trans-102.91.1-176.200000115.6G23 D25 V67 K71 R74G23-G69 WeakPolarHBondContact O-CA 3.39Å; D25-G69 PolarHBondContact N-O 3.32Å; D25-G69 VanDerWaalsContact N-O 3.1Å; V67-G69 PolarHBondContact O-N 2.58Å; G69-K71 PolarHBondContact O-N 2.92Å; G69-R74 PolarHBondContact O-NE 3.18Å; G69-R74 VanDerWaalsContact O-NE 3.08Å
70Q97Very high96.7Very high57 Ų5749.6 Ų49.627%0.26624%0.237SC..  trans-60.3139.4-179.3-70.2-176.1-8.300109.6D25 S72 L73 R74D25-Q70 HydrophobicContact CB-CG 4.05Å; Q70-S72 PolarHBondContact O-N 2.82Å; Q70-S72 VanDerWaalsContact O-N 3.11Å; Q70-L73 HydrophobicContact CB-CD1 4.06Å; Q70-L73 HydrophobicContact CB-CG 4.2Å; Q70-L73 WeakPolarHBondContact O-CA 3.45Å; Q70-L73 WeakPolarHBondContact O-CB 3.28Å; Q70-L73 PolarHBondContact O-N 3.31Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 2.77Å
71K96.3Very high96.9Very high150 Ų15049.2 Ų49.265%0.65224%0.235SC*.G310 helixtrans-51.2-40-175.4-170.1167-175.8161.90113.9G69 L73 R74G69-K71 PolarHBondContact O-N 2.92Å; K71-L73 PolarHBondContact O-N 3.08Å; K71-R74 PolarHBondContact O-N 2.72Å
72S96.1Very high96.8Very high88 Ų8851.4 Ų51.462%0.61525%0.247SC*.G310 helixtrans-65.2-19.6176.650.70000114.4Q70Q70-S72 PolarHBondContact O-N 2.82Å; Q70-S72 VanDerWaalsContact O-N 3.11Å
73L94.3Very high96.6Very high35 Ų3555.8 Ų55.818%0.18328%0.278CS..G310 helixtrans-101.6-15.4-176.4-58.2177.3000113.6L48 Q70 K71 S75 Y76L48-L73 WeakPolarHBondContact O-CD1 3.44Å; Q70-L73 HydrophobicContact CB-CD1 4.06Å; Q70-L73 HydrophobicContact CB-CG 4.2Å; Q70-L73 WeakPolarHBondContact O-CA 3.45Å; Q70-L73 WeakPolarHBondContact O-CB 3.28Å; Q70-L73 PolarHBondContact O-N 3.31Å; K71-L73 PolarHBondContact O-N 3.08Å; L73-S75 PolarHBondContact O-N 3.42Å; L73-Y76 WeakPolarHBondContact O-CB 3.31Å; L73-Y76 WeakPolarHBondContact O-CD2 3.41Å; L73-Y76 PolarHBondContact O-N 2.85Å
74R97.1Very high96.5Very high18 Ų1854.6 Ų54.67%0.06827%0.272CS..G310 helixtrans-61-29.5-174.4-58.6-178-167.4164.8-0.2113D25 G69 Q70 K71 Y76 W77 D101 E105D25-R74 IonicContact OD1-NH2 3.47Å; G69-R74 PolarHBondContact O-NE 3.18Å; G69-R74 VanDerWaalsContact O-NE 3.08Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 2.77Å; K71-R74 PolarHBondContact O-N 2.72Å; R74-Y76 PolarHBondContact O-N 3.17Å; R74-Y76 VanDerWaalsContact O-N 3.09Å; R74-W77 HydrophobicContact CB-CD2 4.18Å; R74-W77 HydrophobicContact CB-CE3 4.38Å; R74-W77 HydrophobicContact CB-CZ2 4.32Å; R74-W77 HydrophobicContact CG-CD2 4.5Å; R74-W77 HydrophobicContact CG-CH2 4.02Å; R74-W77 HydrophobicContact CG-CZ2 3.74Å; R74-W77 HydrophobicContact CG-CZ3 4.5Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.46Å; R74-W77 VanDerWaalsContact O-CG 3.32Å; R74-W77 PolarHBondContact O-N 3.25Å; R74-D101 IonicContact CZ-OD2 3.38Å; R74-D101 IonicContact NH1-OD1 3.24Å; R74-D101 PolarHBondContact NH1-OD1 2.89Å; R74-D101 IonicContact NH1-OD2 2.84Å; R74-D101 PolarHBondContact NH1-OD2 3.14Å; R74-D101 IonicContact NH2-OD2 3Å; R74-D101 PolarHBondContact NH2-OD2 2.9Å; R74-E105 WeakPolarHBondContact CD-OE1 3.44Å; R74-E105 IonicContact CZ-OE1 3.71Å; R74-E105 IonicContact NE-OE1 3.69Å; R74-E105 IonicContact NH1-OE1 2.78Å; R74-E105 PolarHBondContact NH1-OE1 2.84Å
75S95.8Very high96.5Very high66 Ų6655 Ų5546%0.46227%0.274SS..G310 helixtrans-62.2-16.2175.263.90000114.2L73 R78L73-S75 PolarHBondContact O-N 3.42Å; S75-R78 WeakPolarHBondContact O-CG 3.32Å; S75-R78 PolarHBondContact O-NE 3.05Å
76Y96Very high96.5Very high130 Ų13052.3 Ų52.351%0.5126%0.264SS..G310 helixtrans-93.2-8.8175.7-59.1-77000113.5L73 R74 R78 N79 Y80L73-Y76 WeakPolarHBondContact O-CB 3.31Å; L73-Y76 WeakPolarHBondContact O-CD2 3.41Å; L73-Y76 PolarHBondContact O-N 2.85Å; R74-Y76 PolarHBondContact O-N 3.17Å; R74-Y76 VanDerWaalsContact O-N 3.09Å; Y76-R78 PolarHBondContact O-N 2.89Å; Y76-R78 VanDerWaalsContact O-N 3.16Å; Y76-N79 VanDerWaalsContact O-CB 3.29Å; Y76-N79 WeakPolarHBondContact O-CB 3.23Å; Y76-N79 PolarHBondContact O-N 3.46Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.22Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.31Å
77W98Very high96.5Very high7 Ų752.4 Ų52.43%0.02726%0.264CS..G310 helixtrans-54-37.5178-72.4-6000112.5L22 G23 G68 R74 N79 Y80 F81 W89 E105 L109L22-W77 HydrophobicContact CD1-CB 4.41Å; L22-W77 HydrophobicContact CD1-CD2 4.29Å; L22-W77 HydrophobicContact CD1-CE3 4.38Å; L22-W77 HydrophobicContact CD1-CG 4.35Å; L22-W77 HydrophobicContact CD2-CB 4.49Å; L22-W77 HydrophobicContact CD2-CD2 3.89Å; L22-W77 HydrophobicContact CD2-CG 3.82Å; L22-W77 HydrophobicContact CD2-CZ2 4.48Å; G23-W77 WeakPolarHBondContact O-CZ2 3.4Å; G68-W77 PolarHBondContact O-NE1 2.82Å; R74-W77 HydrophobicContact CB-CD2 4.18Å; R74-W77 HydrophobicContact CB-CE3 4.38Å; R74-W77 HydrophobicContact CB-CZ2 4.32Å; R74-W77 HydrophobicContact CG-CD2 4.5Å; R74-W77 HydrophobicContact CG-CH2 4.02Å; R74-W77 HydrophobicContact CG-CZ2 3.74Å; R74-W77 HydrophobicContact CG-CZ3 4.5Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.46Å; R74-W77 VanDerWaalsContact O-CG 3.32Å; R74-W77 PolarHBondContact O-N 3.25Å; W77-N79 PolarHBondContact O-N 3Å; W77-Y80 WeakPolarHBondContact O-CD2 3.38Å; W77-Y80 PolarHBondContact O-N 3.3Å; W77-F81 VanDerWaalsContact C-CE1 3.45Å; W77-F81 HydrophobicContact CB-CE1 3.87Å; W77-F81 HydrophobicContact CB-CZ 3.95Å; W77-F81 VanDerWaalsContact O-CD1 3.31Å; W77-F81 WeakPolarHBondContact O-CD1 3.35Å; W77-F81 VanDerWaalsContact O-CE1 3.22Å; W77-F81 WeakPolarHBondContact O-CE1 3.47Å; W77-W89 AromaticContact CH2-CH2 3.76Å; W77-W89 HydrophobicContact CH2-CH2 3.76Å; W77-W89 AromaticContact CH2-CZ3 3.87Å; W77-W89 HydrophobicContact CH2-CZ3 3.87Å; W77-W89 AromaticContact CZ3-CH2 3.83Å; W77-W89 HydrophobicContact CZ3-CH2 3.83Å; W77-W89 AromaticContact CZ3-CZ3 3.8Å; W77-W89 HydrophobicContact CZ3-CZ3 3.8Å; W77-E105 HydrophobicContact CZ3-CB 4.35Å; W77-L109 HydrophobicContact CE3-CD1 4.23Å; W77-L109 HydrophobicContact CZ3-CD1 4.38Å
78R96.8Very high96.6Very high140 Ų14052.3 Ų52.353%0.52826%0.264SS..G310 helixtrans-57.4-17.5177.265.7-178.5163.6168.2-0115.6S75 Y76 Y80 F81 R114S75-R78 WeakPolarHBondContact O-CG 3.32Å; S75-R78 PolarHBondContact O-NE 3.05Å; Y76-R78 PolarHBondContact O-N 2.89Å; Y76-R78 VanDerWaalsContact O-N 3.16Å; R78-Y80 PolarHBondContact O-N 3.33Å; R78-F81 VanDerWaalsContact CA-CE2 3.42Å; R78-F81 HydrophobicContact CB-CD2 4.09Å; R78-F81 HydrophobicContact CB-CE2 3.76Å; R78-F81 HydrophobicContact CB-CZ 4.3Å; R78-R114 PolarHBondContact O-NH1 3.11Å
79N96.8Very high96.6Very high102 Ų10252.2 Ų52.255%0.54526%0.263SS..G310 helixtrans-75.7-10.4175.9-60.3-18.5000112.1Y76 W77Y76-N79 VanDerWaalsContact O-CB 3.29Å; Y76-N79 WeakPolarHBondContact O-CB 3.23Å; Y76-N79 PolarHBondContact O-N 3.46Å; W77-N79 PolarHBondContact O-N 3Å
80Y97.3Very high96.7Very high35 Ų3552 Ų5214%0.13726%0.261CS..G310 helixtrans-1173.9-173.9-50.6-76.2000113.6R18 F50 W65 V67 Y76 W77 R78R18-Y80 VanDerWaalsContact CZ-O 3.27Å; R18-Y80 PolarHBondContact NH1-O 3.28Å; R18-Y80 PolarHBondContact NH2-O 3.36Å; F50-Y80 HydrophobicContact CB-CE1 4.39Å; F50-Y80 AromaticContact CD1-CE1 3.74Å; F50-Y80 HydrophobicContact CD1-CE1 3.74Å; F50-Y80 AromaticContact CD1-CZ 3.72Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.02Å; F50-Y80 HydrophobicContact CD2-CE1 4.48Å; F50-Y80 HydrophobicContact CE1-CE1 4.11Å; F50-Y80 AromaticContact CG-CE1 3.94Å; F50-Y80 HydrophobicContact CG-CE1 3.94Å; W65-Y80 AromaticContact CE3-CD1 3.57Å; W65-Y80 HydrophobicContact CE3-CD1 3.57Å; W65-Y80 HydrophobicContact CE3-CE1 4.06Å; W65-Y80 AromaticContact CZ3-CD1 3.59Å; W65-Y80 HydrophobicContact CZ3-CD1 3.59Å; W65-Y80 AromaticContact CZ3-CE1 3.85Å; W65-Y80 HydrophobicContact CZ3-CE1 3.85Å; V67-Y80 HydrophobicContact CG1-CD2 3.94Å; V67-Y80 HydrophobicContact CG1-CE2 3.72Å; V67-Y80 HydrophobicContact CG2-CD2 3.89Å; V67-Y80 HydrophobicContact CG2-CE2 4.26Å; V67-Y80 HydrophobicContact CG2-CG 4.07Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.22Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.31Å; W77-Y80 WeakPolarHBondContact O-CD2 3.38Å; W77-Y80 PolarHBondContact O-N 3.3Å; R78-Y80 PolarHBondContact O-N 3.33Å
81F97.6Very high96.8Very high8 Ų849.5 Ų49.54%0.03525%0.249CC..  trans-74.6-31.6-174.9-64.1-14.1000113.8L20 L22 W77 R78 S83 T84 L109 E112 R114 L115L20-F81 HydrophobicContact CD2-CD1 3.73Å; L20-F81 HydrophobicContact CD2-CE1 4.23Å; L22-F81 HydrophobicContact CD1-CE1 3.95Å; W77-F81 VanDerWaalsContact C-CE1 3.45Å; W77-F81 HydrophobicContact CB-CE1 3.87Å; W77-F81 HydrophobicContact CB-CZ 3.95Å; W77-F81 VanDerWaalsContact O-CD1 3.31Å; W77-F81 WeakPolarHBondContact O-CD1 3.35Å; W77-F81 VanDerWaalsContact O-CE1 3.22Å; W77-F81 WeakPolarHBondContact O-CE1 3.47Å; R78-F81 VanDerWaalsContact CA-CE2 3.42Å; R78-F81 HydrophobicContact CB-CD2 4.09Å; R78-F81 HydrophobicContact CB-CE2 3.76Å; R78-F81 HydrophobicContact CB-CZ 4.3Å; F81-S83 PolarHBondContact O-N 3.15Å; F81-T84 WeakPolarHBondContact O-CB 3.27Å; F81-T84 PolarHBondContact O-N 3.13Å; F81-T84 PolarHBondContact O-OG1 2.81Å; F81-L109 HydrophobicContact CZ-CG 4.41Å; F81-E112 HydrophobicContact CD2-CB 4.04Å; F81-E112 HydrophobicContact CD2-CG 3.88Å; F81-E112 HydrophobicContact CE2-CB 4.12Å; F81-E112 HydrophobicContact CE2-CG 3.49Å; F81-E112 VanDerWaalsContact CE2-CG 3.49Å; F81-E112 HydrophobicContact CZ-CG 4.45Å; F81-R114 HydrophobicContact CB-CB 3.86Å; F81-L115 HydrophobicContact CB-CD2 3.94Å; F81-L115 HydrophobicContact CB-CG 4.06Å; F81-L115 HydrophobicContact CD1-CD1 3.92Å; F81-L115 HydrophobicContact CD1-CD2 4.27Å; F81-L115 HydrophobicContact CD1-CG 4.31Å; F81-L115 HydrophobicContact CD2-CD1 4.27Å; F81-L115 HydrophobicContact CD2-CG 4.41Å; F81-L115 HydrophobicContact CE1-CD1 4.1Å; F81-L115 HydrophobicContact CE2-CD1 4.48Å; F81-L115 HydrophobicContact CG-CD1 4.01Å; F81-L115 HydrophobicContact CG-CD2 4.21Å; F81-L115 HydrophobicContact CG-CG 4.03Å; F81-L115 HydrophobicContact CZ-CD1 4.39Å
82E93.4Very high96.9Very high132 Ų13243.1 Ų43.162%0.61722%0.223SC*.THydrogen-bonded Turntrans-58.8139.7-176.1-69.6-173.9179.500112.7R18 T84R18-E82 PolarHBondContact NH1-O 3.5Å; E82-T84 PolarHBondContact O-N 3.31Å
83S91.6Very high97Very high95 Ų9539 Ų3966%0.66419%0.193SC*.THydrogen-bonded Turntrans59.226.5178.1-51.50000114.6R18 F81R18-S83 VanDerWaalsContact CB-O 3.3Å; R18-S83 WeakPolarHBondContact CB-O 3.39Å; R18-S83 VanDerWaalsContact CD-O 3.3Å; R18-S83 WeakPolarHBondContact CD-O 3.38Å; F81-S83 PolarHBondContact O-N 3.15Å
84T96.4Very high97.2Very high11 Ų1139.1 Ų39.17%0.06720%0.199CC..  trans-77.7121.3175.4-56.20000110.9R18 L20 F81 E82 G86 L115 A118R18-T84 PolarHBondContact NH1-OG1 3.37Å; L20-T84 HydrophobicContact CB-CG2 3.67Å; F81-T84 WeakPolarHBondContact O-CB 3.27Å; F81-T84 PolarHBondContact O-N 3.13Å; F81-T84 PolarHBondContact O-OG1 2.81Å; E82-T84 PolarHBondContact O-N 3.31Å; T84-G86 WeakPolarHBondContact CG2-O 3.39Å; T84-L115 HydrophobicContact CG2-CD2 4.07Å; T84-A118 HydrophobicContact CG2-CB 4.26Å
85D96.8Very high97.3Very high13 Ų1339.8 Ų39.87%0.0720%0.204CC..SBendtrans-87.6-37.2175-65.8-53.4000112K11 R18 A118 T119 I176 R179 I180K11-D85 VanDerWaalsContact NZ-CG 3.25Å; K11-D85 IonicContact NZ-OD1 3.87Å; K11-D85 PolarHBondContact NZ-OD1 2.89Å; K11-D85 IonicContact NZ-OD2 3.38Å; K11-D85 PolarHBondContact NZ-OD2 2.79Å; K11-D85 VanDerWaalsContact NZ-OD2 3.16Å; R18-D85 PolarHBondContact N-OD2 3.28Å; R18-D85 PolarHBondContact O-N 3.13Å; D85-A118 WeakPolarHBondContact O-CA 3.32Å; D85-T119 PolarHBondContact O-N 3.35Å; D85-T119 VanDerWaalsContact O-N 3.1Å; D85-I176 HydrophobicContact CB-CD1 4.27Å; D85-I176 HydrophobicContact CB-CG2 4.1Å; D85-R179 PolarHBondContact O-NH2 3.45Å; D85-I180 HydrophobicContact CB-CD1 4.28Å; D85-I180 VanDerWaalsContact OD1-CD1 3.28Å; D85-I180 WeakPolarHBondContact OD1-CD1 3.44Å
86G98.2Very high97.3Very high0 Ų043.6 Ų43.60%021%0.209CC..EExtended strand (participates in β ladder)trans-138.4136.5178.900000111.7R18 L19 L20 T84 T119R18-G86 PolarHBondContact O-N 2.85Å; L19-G86 CarbonylContact C-O 3.51Å; L19-G86 VanDerWaalsContact CA-O 3.32Å; L19-G86 WeakPolarHBondContact CA-O 3.44Å; L20-G86 PolarHBondContact N-O 2.89Å; T84-G86 WeakPolarHBondContact CG2-O 3.39Å; G86-T119 CarbonylContact C-O 3.57Å; G86-T119 WeakPolarHBondContact CA-O 3.19Å
87L98.8Very high97.4Very high1 Ų145.3 Ų45.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-105.9121.7174.7173.170.6000108.6L20 L22 L109 L110 A118 T119 L120 L121L20-L87 HydrophobicContact CD2-CD1 4.48Å; L20-L87 HydrophobicContact CG-CD1 4.47Å; L20-L87 CarbonylContact O-C 3.58Å; L20-L87 WeakPolarHBondContact O-CA 3.4Å; L22-L87 HydrophobicContact CB-CD1 4.44Å; L22-L87 HydrophobicContact CD1-CD1 4.1Å; L22-L87 HydrophobicContact CG-CD1 4.47Å; L87-L109 HydrophobicContact CD1-CD1 4.41Å; L87-L109 HydrophobicContact CD1-CD2 4.05Å; L87-L109 HydrophobicContact CD2-CD2 3.2Å; L87-L109 HydrophobicContact CG-CD2 4.25Å; L87-L110 HydrophobicContact CD2-CD2 4Å; L87-A118 HydrophobicContact CB-CB 4.41Å; L87-T119 PolarHBondContact N-O 3.39Å; L87-L120 HydrophobicContact CD2-CD1 3.78Å; L87-L120 HydrophobicContact CG-CD1 4.08Å; L87-L120 CarbonylContact O-C 3.55Å; L87-L120 WeakPolarHBondContact O-CA 3.39Å; L87-L121 PolarHBondContact O-N 2.94Å
88V98.9Very high97.4Very high4 Ų447.9 Ų47.92%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-103.4109.3173.9-176.80000108.5L20 M21 L22 V90 L121 F123 L172L20-V88 PolarHBondContact O-N 2.83Å; M21-V88 CarbonylContact C-O 3.59Å; M21-V88 WeakPolarHBondContact CA-O 3.38Å; M21-V88 HydrophobicContact CB-CB 4.3Å; M21-V88 HydrophobicContact CE-CG1 4.36Å; M21-V88 HydrophobicContact CG-CB 4.13Å; M21-V88 HydrophobicContact CG-CG1 4.13Å; L22-V88 PolarHBondContact N-O 2.86Å; V88-V90 HydrophobicContact CG1-CG2 4.08Å; V88-L121 CarbonylContact C-O 3.58Å; V88-L121 WeakPolarHBondContact CA-O 3.41Å; V88-L121 HydrophobicContact CG1-CD2 4.41Å; V88-L121 HydrophobicContact CG2-CB 4.48Å; V88-L121 HydrophobicContact CG2-CD2 4.34Å; V88-F123 HydrophobicContact CG1-CD2 3.49Å; V88-F123 VanDerWaalsContact CG1-CD2 3.49Å; V88-F123 HydrophobicContact CG1-CE2 3.83Å; V88-L172 HydrophobicContact CG2-CD2 3.76Å
89W98.9Very high97.5Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-96.4113.3176.2-171.9-108.8000110.5L22 G23 W77 C102 E105 L106 L109 L120 L121 V122 F123L22-W89 HydrophobicContact CB-CE3 3.9Å; L22-W89 HydrophobicContact CB-CZ3 3.87Å; L22-W89 WeakPolarHBondContact O-CA 3.32Å; G23-W89 VanDerWaalsContact N-CZ3 3.35Å; W77-W89 AromaticContact CH2-CH2 3.76Å; W77-W89 HydrophobicContact CH2-CH2 3.76Å; W77-W89 AromaticContact CH2-CZ3 3.87Å; W77-W89 HydrophobicContact CH2-CZ3 3.87Å; W77-W89 AromaticContact CZ3-CH2 3.83Å; W77-W89 HydrophobicContact CZ3-CH2 3.83Å; W77-W89 AromaticContact CZ3-CZ3 3.8Å; W77-W89 HydrophobicContact CZ3-CZ3 3.8Å; W89-C102 WeakPolarHBondContact CZ2-O 3.45Å; W89-C102 PolarHBondContact NE1-SG 3.5Å; W89-E105 HydrophobicContact CH2-CB 3.77Å; W89-E105 HydrophobicContact CZ2-CB 4.15Å; W89-L106 HydrophobicContact CB-CD1 4.29Å; W89-L106 HydrophobicContact CD2-CB 4.34Å; W89-L106 HydrophobicContact CD2-CD1 3.91Å; W89-L106 HydrophobicContact CE3-CD1 4.29Å; W89-L106 HydrophobicContact CG-CD1 3.89Å; W89-L106 HydrophobicContact CG-CD2 4.41Å; W89-L106 HydrophobicContact CZ2-CB 3.98Å; W89-L109 HydrophobicContact CE3-CD1 4.28Å; W89-L109 HydrophobicContact CZ3-CD1 3.86Å; W89-L120 HydrophobicContact CB-CD1 3.85Å; W89-L121 PolarHBondContact N-O 2.63Å; W89-V122 HydrophobicContact CB-CG2 4.42Å; W89-V122 CarbonylContact O-C 3.41Å; W89-V122 WeakPolarHBondContact O-CA 3.35Å; W89-F123 PolarHBondContact O-N 3.49Å
90V98.9Very high97.5Very high0 Ų041.4 Ų41.40%021%0.208CC..EExtended strand (participates in β ladder)trans-101.1129.3-176.4-170.60000110.1M21 L22 A27 K29 I32 V88 F123 N125M21-V90 HydrophobicContact CG-CG2 3.76Å; M21-V90 HydrophobicContact SD-CG2 4.06Å; L22-V90 PolarHBondContact O-N 3.19Å; A27-V90 HydrophobicContact CB-CB 4.24Å; A27-V90 HydrophobicContact CB-CG1 4.03Å; A27-V90 VanDerWaalsContact CB-O 3.29Å; A27-V90 WeakPolarHBondContact CB-O 3.39Å; A27-V90 WeakPolarHBondContact O-CG1 3.42Å; K29-V90 HydrophobicContact CG-CB 3.79Å; K29-V90 HydrophobicContact CG-CG1 4.41Å; K29-V90 HydrophobicContact CG-CG2 3.79Å; I32-V90 HydrophobicContact CD1-CB 4.47Å; I32-V90 HydrophobicContact CD1-CG1 3.67Å; I32-V90 HydrophobicContact CD1-CG2 3.88Å; V88-V90 HydrophobicContact CG1-CG2 4.08Å; V90-F123 HydrophobicContact CG1-CB 4.44Å; V90-F123 HydrophobicContact CG2-CB 4.48Å; V90-N125 HydrophobicContact CG1-CB 3.88Å
91V98.9Very high97.6Very high4 Ų441.5 Ų41.52%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-122131.3-175.4-172.50000109.1S93 L99 V122 F123 N125 I138 L142V91-S93 PolarHBondContact O-N 3.42Å; V91-L99 HydrophobicContact CG1-CD2 4.03Å; V91-V122 HydrophobicContact CG2-CG1 3.96Å; V91-F123 PolarHBondContact N-O 2.98Å; V91-N125 WeakPolarHBondContact O-CA 3.4Å; V91-N125 WeakPolarHBondContact O-CB 3.46Å; V91-N125 PolarHBondContact O-N 3.41Å; V91-I138 HydrophobicContact CG1-CD1 4.26Å; V91-I138 HydrophobicContact CG1-CG2 4.18Å; V91-L142 HydrophobicContact CG2-CD1 3.9Å
92D98.8Very high97.6Very high17 Ų1741.3 Ų41.39%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-77.1107.2168.2-174.4-17.7000109.1A94 D95 K126D92-A94 PolarHBondContact O-N 3.02Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.4Å; D92-D95 HydrophobicContact CB-CB 3.75Å; D92-D95 PolarHBondContact O-N 2.85Å; D92-D95 VanDerWaalsContact O-N 3.14Å; D92-D95 PolarHBondContact OD1-N 2.87Å; D92-K126 WeakPolarHBondContact OD1-CD 3.31Å; D92-K126 IonicContact OD1-NZ 2.87Å; D92-K126 VanDerWaalsContact OD2-CE 3.25Å; D92-K126 WeakPolarHBondContact OD2-CE 3.31Å; D92-K126 IonicContact OD2-NZ 3.68Å; D92-K126 PolarHBondContact OD2-NZ 3.48Å
93S98.8Very high97.9Very high0 Ų039.2 Ų39.20%020%0.197CC..THydrogen-bonded Turntrans-69.8-17.1-176.5-48.90000113V91 A124 N125 Q127 A132 L133V91-S93 PolarHBondContact O-N 3.42Å; S93-A124 PolarHBondContact OG-O 2.91Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.17Å; S93-N125 PolarHBondContact OG-N 3.32Å; S93-N125 PolarHBondContact OG-O 2.92Å; S93-Q127 VanDerWaalsContact CB-NE2 3.25Å; S93-Q127 PolarHBondContact OG-NE2 3.25Å; S93-A132 WeakPolarHBondContact O-CA 3.1Å; S93-L133 PolarHBondContact O-N 3.34Å
94A98.4Very high98.2Very high38 Ų3839.3 Ų39.331%0.31419%0.188SC..THydrogen-bonded Turntrans-87.1-12.1176.100000112.5D92 R96 L129D92-A94 PolarHBondContact O-N 3.02Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.4Å; A94-R96 PolarHBondContact O-N 3.44Å; A94-L129 HydrophobicContact CB-CB 4.36Å; A94-L129 HydrophobicContact CB-CD1 4.04Å
95D98.1Very high98.3Very high32 Ų3240.9 Ų40.917%0.17119%0.194CC..  trans-94.570.3-173.6-162.6-18.4000113.3D92 L97 R98D92-D95 HydrophobicContact CB-CB 3.75Å; D92-D95 PolarHBondContact O-N 2.85Å; D92-D95 VanDerWaalsContact O-N 3.14Å; D92-D95 PolarHBondContact OD1-N 2.87Å; D95-L97 PolarHBondContact O-N 3.35Å; D95-R98 PolarHBondContact O-N 3.24Å; D95-R98 PolarHBondContact OD1-N 3.49Å; D95-R98 IonicContact OD1-NE 3.71Å; D95-R98 IonicContact OD2-CZ 3.06Å; D95-R98 IonicContact OD2-NE 2.72Å; D95-R98 PolarHBondContact OD2-NE 3.35Å; D95-R98 IonicContact OD2-NH2 2.68Å; D95-R98 PolarHBondContact OD2-NH2 2.69Å
96R97.2Very high98.4Very high146 Ų14640.5 Ų40.555%0.55119%0.192SC*.G310 helixtrans-61-31.5-176.7-55.2-175.4-177.6-160-2.8113.3A94 R98 G131 L133A94-R96 PolarHBondContact O-N 3.44Å; R96-R98 VanDerWaalsContact C-N 3.28Å; R96-R98 PolarHBondContact O-N 3.45Å; R96-G131 PolarHBondContact NE-O 2.83Å; R96-G131 PolarHBondContact NH2-O 3.08Å; R96-L133 HydrophobicContact CG-CD1 4.12Å; R96-L133 HydrophobicContact CG-CG 4.23Å
97L97.8Very high98.4Very high167 Ų16743.1 Ų43.187%0.87421%0.21SC*.G310 helixtrans-71-24.6-175.3-64.3177.8000112.7D95D95-L97 PolarHBondContact O-N 3.35Å
98R98Very high98.3Very high60 Ų6047.1 Ų47.123%0.22623%0.234CC..G310 helixtrans-107.58.4-177-62.7-165.3-66.8163.14.9114.2L24 D25 D95 R96 E100 D101 C102L24-R98 HydrophobicContact CD1-CB 3.92Å; D25-R98 VanDerWaalsContact CG-NH1 3.32Å; D25-R98 PolarHBondContact O-NH2 3.03Å; D25-R98 IonicContact OD1-NH1 2.71Å; D25-R98 PolarHBondContact OD1-NH1 2.68Å; D25-R98 IonicContact OD2-CZ 3.64Å; D25-R98 IonicContact OD2-NH1 3.55Å; D25-R98 PolarHBondContact OD2-NH1 3.37Å; D25-R98 IonicContact OD2-NH2 2.82Å; D95-R98 PolarHBondContact O-N 3.24Å; D95-R98 PolarHBondContact OD1-N 3.49Å; D95-R98 IonicContact OD1-NE 3.71Å; D95-R98 IonicContact OD2-CZ 3.06Å; D95-R98 IonicContact OD2-NE 2.72Å; D95-R98 PolarHBondContact OD2-NE 3.35Å; D95-R98 IonicContact OD2-NH2 2.68Å; D95-R98 PolarHBondContact OD2-NH2 2.69Å; R96-R98 VanDerWaalsContact C-N 3.28Å; R96-R98 PolarHBondContact O-N 3.45Å; R98-E100 VanDerWaalsContact C-N 3.3Å; R98-E100 PolarHBondContact O-N 2.91Å; R98-D101 PolarHBondContact O-N 2.83Å; R98-C102 WeakPolarHBondContact O-CB 3.46Å; R98-C102 PolarHBondContact O-N 2.69Å
99L97.7Very high98.2Very high18 Ų1847.1 Ų47.19%0.09424%0.235CC..Hα-helixtrans-62.1-37.2178.2-69.6173.9000113.1V91 C102 R103 L133 I138 A141V91-L99 HydrophobicContact CG1-CD2 4.03Å; L99-C102 WeakPolarHBondContact O-CB 3.45Å; L99-C102 PolarHBondContact O-N 2.93Å; L99-R103 WeakPolarHBondContact O-CB 3.36Å; L99-R103 PolarHBondContact O-N 3.06Å; L99-L133 HydrophobicContact CD1-CD1 3.34Å; L99-I138 HydrophobicContact CD1-CD1 4.29Å; L99-I138 HydrophobicContact CD2-CD1 3.57Å; L99-A141 HydrophobicContact CD1-CB 4.14Å
100E98.1Very high98.1Very high88 Ų8848 Ų4841%0.41124%0.239SC..Hα-helixtrans-68.3-40.1177.3-179.355.1-157.200111.7R98 C102 R103 Q104R98-E100 VanDerWaalsContact C-N 3.3Å; R98-E100 PolarHBondContact O-N 2.91Å; E100-C102 VanDerWaalsContact C-N 3.29Å; E100-C102 PolarHBondContact O-N 2.82Å; E100-R103 PolarHBondContact O-N 3.07Å; E100-R103 IonicContact OE1-CZ 3.16Å; E100-R103 IonicContact OE1-NE 3.61Å; E100-R103 PolarHBondContact OE1-NE 3.1Å; E100-R103 IonicContact OE1-NH2 2.58Å; E100-R103 PolarHBondContact OE1-NH2 2.98Å; E100-R103 IonicContact OE2-CZ 2.65Å; E100-R103 IonicContact OE2-NE 3.85Å; E100-R103 PolarHBondContact OE2-NE 3.09Å; E100-R103 IonicContact OE2-NH2 3.75Å; E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.48Å; E100-Q104 PolarHBondContact O-N 2.94Å; E100-Q104 PolarHBondContact OE1-NE2 2.86Å
101D98.3Very high98Very high37 Ų3755.4 Ų55.420%0.19827%0.274CS..Hα-helixtrans-60.1-42.1170.5-172.752000110.2L24 R74 R98 R103 Q104 E105L24-D101 HydrophobicContact CD1-CB 4.25Å; R74-D101 IonicContact CZ-OD2 3.38Å; R74-D101 IonicContact NH1-OD1 3.24Å; R74-D101 PolarHBondContact NH1-OD1 2.89Å; R74-D101 IonicContact NH1-OD2 2.84Å; R74-D101 PolarHBondContact NH1-OD2 3.14Å; R74-D101 IonicContact NH2-OD2 3Å; R74-D101 PolarHBondContact NH2-OD2 2.9Å; R98-D101 PolarHBondContact O-N 2.83Å; D101-R103 PolarHBondContact O-N 3.13Å; D101-Q104 PolarHBondContact O-N 3.35Å; D101-E105 WeakPolarHBondContact O-CB 3.39Å; D101-E105 WeakPolarHBondContact O-CG 3.33Å; D101-E105 PolarHBondContact O-N 3.03Å
102C98.3Very high98Very high4 Ų457.9 Ų57.93%0.02729%0.285CS..Hα-helixtrans-62.2-44177.5-167.80000112.4L24 W89 R98 L99 E100 L106 L142L24-C102 HydrophobicContact CD1-CB 3.89Å; L24-C102 HydrophobicContact CG-CB 4.19Å; W89-C102 WeakPolarHBondContact CZ2-O 3.45Å; W89-C102 PolarHBondContact NE1-SG 3.5Å; R98-C102 WeakPolarHBondContact O-CB 3.46Å; R98-C102 PolarHBondContact O-N 2.69Å; L99-C102 WeakPolarHBondContact O-CB 3.45Å; L99-C102 PolarHBondContact O-N 2.93Å; E100-C102 VanDerWaalsContact C-N 3.29Å; E100-C102 PolarHBondContact O-N 2.82Å; C102-L106 WeakPolarHBondContact O-CB 3.29Å; C102-L106 PolarHBondContact O-N 2.9Å; C102-L142 HydrophobicContact CB-CD2 4.11Å
103R98.6Very high97.8Very high88 Ų8865.2 Ų65.233%0.33232%0.319SS..Hα-helixtrans-62.1-46.9176-174.6-175.577.886.52.2111.6L99 E100 D101 L106 S107 A141 L142L99-R103 WeakPolarHBondContact O-CB 3.36Å; L99-R103 PolarHBondContact O-N 3.06Å; E100-R103 PolarHBondContact O-N 3.07Å; E100-R103 IonicContact OE1-CZ 3.16Å; E100-R103 IonicContact OE1-NE 3.61Å; E100-R103 PolarHBondContact OE1-NE 3.1Å; E100-R103 IonicContact OE1-NH2 2.58Å; E100-R103 PolarHBondContact OE1-NH2 2.98Å; E100-R103 IonicContact OE2-CZ 2.65Å; E100-R103 IonicContact OE2-NE 3.85Å; E100-R103 PolarHBondContact OE2-NE 3.09Å; E100-R103 IonicContact OE2-NH2 3.75Å; D101-R103 PolarHBondContact O-N 3.13Å; R103-L106 PolarHBondContact O-N 3.15Å; R103-S107 WeakPolarHBondContact O-CB 3.2Å; R103-S107 PolarHBondContact O-N 2.78Å; R103-A141 WeakPolarHBondContact CD-O 3.43Å; R103-L142 HydrophobicContact CB-CD2 3.9Å
104Q98.4Very high97.7Very high98 Ų9870 Ų7046%0.45834%0.337SS..Hα-helixtrans-62.4-46.6-179.4-72174.712.500111.5E100 D101 S107 V108E100-Q104 VanDerWaalsContact O-CG 3.29Å; E100-Q104 WeakPolarHBondContact O-CG 3.48Å; E100-Q104 PolarHBondContact O-N 2.94Å; E100-Q104 PolarHBondContact OE1-NE2 2.86Å; D101-Q104 PolarHBondContact O-N 3.35Å; Q104-S107 PolarHBondContact O-N 3.03Å; Q104-V108 WeakPolarHBondContact O-CG2 3.45Å; Q104-V108 PolarHBondContact O-N 3.37Å
105E98.5Very high97.7Very high44 Ų4468.2 Ų68.221%0.20632%0.322CS..Hα-helixtrans-63.7-42.4178.5-66.6-75.4-174.300111.9L24 R74 W77 W89 D101 V108 L109L24-E105 HydrophobicContact CD2-CB 4.37Å; L24-E105 HydrophobicContact CD2-CG 4.02Å; R74-E105 WeakPolarHBondContact CD-OE1 3.44Å; R74-E105 IonicContact CZ-OE1 3.71Å; R74-E105 IonicContact NE-OE1 3.69Å; R74-E105 IonicContact NH1-OE1 2.78Å; R74-E105 PolarHBondContact NH1-OE1 2.84Å; W77-E105 HydrophobicContact CZ3-CB 4.35Å; W89-E105 HydrophobicContact CH2-CB 3.77Å; W89-E105 HydrophobicContact CZ2-CB 4.15Å; D101-E105 WeakPolarHBondContact O-CB 3.39Å; D101-E105 WeakPolarHBondContact O-CG 3.33Å; D101-E105 PolarHBondContact O-N 3.03Å; E105-V108 PolarHBondContact O-N 3.44Å; E105-L109 VanDerWaalsContact O-CB 3.23Å; E105-L109 WeakPolarHBondContact O-CB 3.25Å; E105-L109 PolarHBondContact O-N 2.57Å
106L98.6Very high97.3Very high4 Ų470.6 Ų70.62%0.02134%0.341CS..Hα-helixtrans-62-44.7174.3-179.860000111.2W89 C102 R103 V108 L109 L110 L120 L142 L144W89-L106 HydrophobicContact CB-CD1 4.29Å; W89-L106 HydrophobicContact CD2-CB 4.34Å; W89-L106 HydrophobicContact CD2-CD1 3.91Å; W89-L106 HydrophobicContact CE3-CD1 4.29Å; W89-L106 HydrophobicContact CG-CD1 3.89Å; W89-L106 HydrophobicContact CG-CD2 4.41Å; W89-L106 HydrophobicContact CZ2-CB 3.98Å; C102-L106 WeakPolarHBondContact O-CB 3.29Å; C102-L106 PolarHBondContact O-N 2.9Å; R103-L106 PolarHBondContact O-N 3.15Å; L106-V108 PolarHBondContact O-N 2.82Å; L106-L109 PolarHBondContact O-N 2.84Å; L106-L110 HydrophobicContact CD1-CD1 4.04Å; L106-L110 HydrophobicContact CD1-CD2 4.31Å; L106-L110 HydrophobicContact CD1-CG 4Å; L106-L110 HydrophobicContact CG-CD1 4.06Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 2.81Å; L106-L120 HydrophobicContact CD1-CD1 4.21Å; L106-L120 HydrophobicContact CD1-CD2 4.35Å; L106-L142 HydrophobicContact CD2-CD1 4.48Å; L106-L144 HydrophobicContact CD2-CD2 3.82Å
107S98Very high97Very high56 Ų5665.7 Ų65.739%0.39234%0.336SS..Hα-helixtrans-62.2-40.9180-178.10000112.6R103 Q104 L109 Q111R103-S107 WeakPolarHBondContact O-CB 3.2Å; R103-S107 PolarHBondContact O-N 2.78Å; Q104-S107 PolarHBondContact O-N 3.03Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å
108V97.1Very high97Very high84 Ų8457.9 Ų57.951%0.50930%0.295SS..Hα-helixtrans-65.2-43.5176170.30000110Q104 E105 L106 L110 Q111Q104-V108 WeakPolarHBondContact O-CG2 3.45Å; Q104-V108 PolarHBondContact O-N 3.37Å; E105-V108 PolarHBondContact O-N 3.44Å; L106-V108 PolarHBondContact O-N 2.82Å; V108-L110 PolarHBondContact O-N 2.85Å; V108-Q111 WeakPolarHBondContact O-CB 3.36Å; V108-Q111 PolarHBondContact O-N 2.85Å; V108-Q111 VanDerWaalsContact O-N 3.17Å
109L97.1Very high97Very high5 Ų555 Ų553%0.02628%0.284CS..Hα-helixtrans-63.4-40.5-178.1-174.5159.4000112.2L22 W77 F81 L87 W89 E105 L106 S107 Q111 E112 L115L22-L109 HydrophobicContact CB-CD1 4.4Å; L22-L109 HydrophobicContact CD1-CD1 3.55Å; W77-L109 HydrophobicContact CE3-CD1 4.23Å; W77-L109 HydrophobicContact CZ3-CD1 4.38Å; F81-L109 HydrophobicContact CZ-CG 4.41Å; L87-L109 HydrophobicContact CD1-CD1 4.41Å; L87-L109 HydrophobicContact CD1-CD2 4.05Å; L87-L109 HydrophobicContact CD2-CD2 3.2Å; L87-L109 HydrophobicContact CG-CD2 4.25Å; W89-L109 HydrophobicContact CE3-CD1 4.28Å; W89-L109 HydrophobicContact CZ3-CD1 3.86Å; E105-L109 VanDerWaalsContact O-CB 3.23Å; E105-L109 WeakPolarHBondContact O-CB 3.25Å; E105-L109 PolarHBondContact O-N 2.57Å; L106-L109 PolarHBondContact O-N 2.84Å; S107-L109 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.8Å; L109-E112 WeakPolarHBondContact O-CB 3.46Å; L109-E112 PolarHBondContact O-N 3.4Å; L109-E112 VanDerWaalsContact O-N 3.13Å; L109-L115 HydrophobicContact CD2-CD1 3.29Å; L109-L115 HydrophobicContact CG-CD1 3.74Å
110L97.4Very high97.1Very high19 Ų1954.1 Ų54.110%0.09928%0.28CS..THydrogen-bonded Turntrans-72.6-5.3178.5-62.7178.7000114.2L87 L106 V108 L120 I147 H150L87-L110 HydrophobicContact CD2-CD2 4Å; L106-L110 HydrophobicContact CD1-CD1 4.04Å; L106-L110 HydrophobicContact CD1-CD2 4.31Å; L106-L110 HydrophobicContact CD1-CG 4Å; L106-L110 HydrophobicContact CG-CD1 4.06Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 2.81Å; V108-L110 PolarHBondContact O-N 2.85Å; L110-L120 HydrophobicContact CD1-CD2 4.08Å; L110-L120 HydrophobicContact CD2-CD2 4.28Å; L110-I147 HydrophobicContact CD1-CD1 3.55Å; L110-I147 HydrophobicContact CD1-CG1 3.93Å; L110-I147 HydrophobicContact CD1-CG2 4.1Å; L110-H150 PolarHBondContact O-CE1 2.86Å
111Q97Very high97.1Very high154 Ų15450 Ų5072%0.7226%0.26SS*.THydrogen-bonded Turntrans-89.1-8.4171.2-67.3174.96.500112.7S107 V108 L109 E113S107-Q111 WeakPolarHBondContact O-CG 3.34Å; V108-Q111 WeakPolarHBondContact O-CB 3.36Å; V108-Q111 PolarHBondContact O-N 2.85Å; V108-Q111 VanDerWaalsContact O-N 3.17Å; L109-Q111 PolarHBondContact O-N 2.8Å; Q111-E113 PolarHBondContact O-N 3.11Å
112E97.7Very high97.1Very high57 Ų5748.2 Ų48.227%0.26625%0.251SS..  trans-73.2119.2-179.4-71.4-86164.500111F81 L109 R114 L115 S116F81-E112 HydrophobicContact CD2-CB 4.04Å; F81-E112 HydrophobicContact CD2-CG 3.88Å; F81-E112 HydrophobicContact CE2-CB 4.12Å; F81-E112 HydrophobicContact CE2-CG 3.49Å; F81-E112 VanDerWaalsContact CE2-CG 3.49Å; F81-E112 HydrophobicContact CZ-CG 4.45Å; L109-E112 WeakPolarHBondContact O-CB 3.46Å; L109-E112 PolarHBondContact O-N 3.4Å; L109-E112 VanDerWaalsContact O-N 3.13Å; E112-R114 PolarHBondContact O-N 3.12Å; E112-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 IonicContact OE2-CZ 2.86Å; E112-R114 IonicContact OE2-NE 2.68Å; E112-R114 IonicContact OE2-NH2 3.39Å; E112-R114 PolarHBondContact OE2-NH2 2.87Å; E112-L115 HydrophobicContact CB-CB 4.48Å; E112-L115 HydrophobicContact CB-CD1 4.33Å; E112-L115 HydrophobicContact CB-CG 4.35Å; E112-L115 PolarHBondContact O-N 2.71Å; E112-S116 PolarHBondContact O-N 3.11Å
113E95.7Very high97.2Very high171 Ų17148 Ų4880%0.79925%0.25SC*.G310 helixtrans-54.6-36-179.9-172.5-177.2179.700112.3Q111 L115 S116Q111-E113 PolarHBondContact O-N 3.11Å; E113-L115 PolarHBondContact O-N 3.33Å; E113-L115 VanDerWaalsContact O-N 3.11Å; E113-S116 VanDerWaalsContact O-CB 3.31Å; E113-S116 WeakPolarHBondContact O-CB 3.33Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 VanDerWaalsContact O-N 3.12Å; E113-S116 PolarHBondContact O-OG 3.29Å
114R96.5Very high97.2Very high101 Ų10143.9 Ų43.938%0.38123%0.234SC..G310 helixtrans-65-12.5177.9-69.4172.8-69.5166.14.2113.8R78 F81 E112R78-R114 PolarHBondContact O-NH1 3.11Å; F81-R114 HydrophobicContact CB-CB 3.86Å; E112-R114 PolarHBondContact O-N 3.12Å; E112-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 IonicContact OE2-CZ 2.86Å; E112-R114 IonicContact OE2-NE 2.68Å; E112-R114 IonicContact OE2-NH2 3.39Å; E112-R114 PolarHBondContact OE2-NH2 2.87Å
115L97Very high97.2Very high0 Ų039.3 Ų39.30%021%0.213CC..G310 helixtrans-110.6-3.9176.7-63.5180000113.6F81 T84 L109 E112 E113 G117 A118 H150F81-L115 HydrophobicContact CB-CD2 3.94Å; F81-L115 HydrophobicContact CB-CG 4.06Å; F81-L115 HydrophobicContact CD1-CD1 3.92Å; F81-L115 HydrophobicContact CD1-CD2 4.27Å; F81-L115 HydrophobicContact CD1-CG 4.31Å; F81-L115 HydrophobicContact CD2-CD1 4.27Å; F81-L115 HydrophobicContact CD2-CG 4.41Å; F81-L115 HydrophobicContact CE1-CD1 4.1Å; F81-L115 HydrophobicContact CE2-CD1 4.48Å; F81-L115 HydrophobicContact CG-CD1 4.01Å; F81-L115 HydrophobicContact CG-CD2 4.21Å; F81-L115 HydrophobicContact CG-CG 4.03Å; F81-L115 HydrophobicContact CZ-CD1 4.39Å; T84-L115 HydrophobicContact CG2-CD2 4.07Å; L109-L115 HydrophobicContact CD2-CD1 3.29Å; L109-L115 HydrophobicContact CG-CD1 3.74Å; E112-L115 HydrophobicContact CB-CB 4.48Å; E112-L115 HydrophobicContact CB-CD1 4.33Å; E112-L115 HydrophobicContact CB-CG 4.35Å; E112-L115 PolarHBondContact O-N 2.71Å; E113-L115 PolarHBondContact O-N 3.33Å; E113-L115 VanDerWaalsContact O-N 3.11Å; L115-G117 PolarHBondContact O-N 3.18Å; L115-A118 WeakPolarHBondContact O-CB 3.35Å; L115-A118 PolarHBondContact O-N 3.38Å; L115-H150 PolarHBondContact O-CD2 2.87Å; L115-H150 PolarHBondContact O-NE2 3.16Å
116S91.3Very high97.2Very high81 Ų8138.7 Ų38.757%0.56621%0.21SC*.THydrogen-bonded Turntrans-55.5-16.9-175.160.10000116E112 E113E112-S116 PolarHBondContact O-N 3.11Å; E113-S116 VanDerWaalsContact O-CB 3.31Å; E113-S116 WeakPolarHBondContact O-CB 3.33Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 VanDerWaalsContact O-N 3.12Å; E113-S116 PolarHBondContact O-OG 3.29Å
117G90.8Very high97.2Very high43 Ų4341.7 Ų41.744%0.44322%0.223SC..THydrogen-bonded Turntrans-111.812.3176.700000114.2L115 R179L115-G117 PolarHBondContact O-N 3.18Å; G117-R179 PolarHBondContact O-NE 2.84Å; G117-R179 PolarHBondContact O-NH1 3.26Å; G117-R179 PolarHBondContact O-NH2 2.65Å
118A97.1Very high97.2Very high3 Ų342.5 Ų42.53%0.02522%0.223CC..PPolyproline II helixtrans-87149179.600000111.6T84 D85 L87 L115 H150T84-A118 HydrophobicContact CG2-CB 4.26Å; D85-A118 WeakPolarHBondContact O-CA 3.32Å; L87-A118 HydrophobicContact CB-CB 4.41Å; L115-A118 WeakPolarHBondContact O-CB 3.35Å; L115-A118 PolarHBondContact O-N 3.38Å; A118-H150 PolarHBondContact O-CD2 2.8Å; A118-H150 VanDerWaalsContact O-CD2 3.3Å
119T98.4Very high97.3Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-87.1134167.6-58.60000109.3D85 G86 L87 H151 W171 L172 D175 R179D85-T119 PolarHBondContact O-N 3.35Å; D85-T119 VanDerWaalsContact O-N 3.1Å; G86-T119 CarbonylContact C-O 3.57Å; G86-T119 WeakPolarHBondContact CA-O 3.19Å; L87-T119 PolarHBondContact N-O 3.39Å; T119-H151 HydrophobicContact CG2-CB 4.39Å; T119-W171 HydrophobicContact CG2-CH2 3.59Å; T119-W171 HydrophobicContact CG2-CZ3 3.69Å; T119-L172 HydrophobicContact CG2-CD1 3.5Å; T119-L172 VanDerWaalsContact CG2-CD1 3.5Å; T119-D175 WeakPolarHBondContact CB-OD2 3.22Å; T119-D175 HydrophobicContact CG2-CB 4.01Å; T119-D175 WeakPolarHBondContact CG2-OD2 3.49Å; T119-D175 PolarHBondContact OG1-OD2 3.11Å; T119-R179 PolarHBondContact OG1-NH1 2.59Å
120L98.8Very high97.2Very high0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-96.5118-179.4170.864.1000111.3L87 W89 L106 L110 V122 I147 H151 W152 C153 W171L87-L120 HydrophobicContact CD2-CD1 3.78Å; L87-L120 HydrophobicContact CG-CD1 4.08Å; L87-L120 CarbonylContact O-C 3.55Å; L87-L120 WeakPolarHBondContact O-CA 3.39Å; W89-L120 HydrophobicContact CB-CD1 3.85Å; L106-L120 HydrophobicContact CD1-CD1 4.21Å; L106-L120 HydrophobicContact CD1-CD2 4.35Å; L110-L120 HydrophobicContact CD1-CD2 4.08Å; L110-L120 HydrophobicContact CD2-CD2 4.28Å; L120-V122 HydrophobicContact CD1-CG2 4.13Å; L120-V122 HydrophobicContact CD2-CG2 4.2Å; L120-V122 HydrophobicContact CG-CG2 4.05Å; L120-I147 HydrophobicContact CD2-CD1 3.86Å; L120-H151 PolarHBondContact N-O 3.01Å; L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 3.94Å; L120-W152 HydrophobicContact CG-CB 4.03Å; L120-W152 WeakPolarHBondContact O-CA 3.46Å; L120-C153 PolarHBondContact O-N 2.99Å; L120-C153 VanDerWaalsContact O-N 3.17Å; L120-W171 WeakPolarHBondContact O-CZ3 3.33Å
121L98.9Very high97.1Very high0 Ų048.8 Ų48.80%027%0.271CS..EExtended strand (participates in β ladder)trans-105.2121.9165.7173.764.6000109.3L87 V88 W89 F123 I155 G168 W171 L172L87-L121 PolarHBondContact O-N 2.94Å; V88-L121 CarbonylContact C-O 3.58Å; V88-L121 WeakPolarHBondContact CA-O 3.41Å; V88-L121 HydrophobicContact CG1-CD2 4.41Å; V88-L121 HydrophobicContact CG2-CB 4.48Å; V88-L121 HydrophobicContact CG2-CD2 4.34Å; W89-L121 PolarHBondContact N-O 2.63Å; L121-F123 HydrophobicContact CD2-CD2 4.26Å; L121-F123 HydrophobicContact CD2-CE1 4.14Å; L121-F123 HydrophobicContact CD2-CE2 3.68Å; L121-F123 HydrophobicContact CD2-CZ 3.62Å; L121-F123 HydrophobicContact CG-CE2 4.47Å; L121-F123 HydrophobicContact CG-CZ 4.47Å; L121-I155 HydrophobicContact CD1-CG1 4.12Å; L121-G168 WeakPolarHBondContact CD2-O 3.29Å; L121-W171 HydrophobicContact CB-CZ3 4.4Å; L121-W171 HydrophobicContact CD1-CE3 4.14Å; L121-L172 HydrophobicContact CB-CB 4.36Å; L121-L172 HydrophobicContact CB-CD1 4.19Å; L121-L172 HydrophobicContact CB-CD2 4.1Å; L121-L172 HydrophobicContact CB-CG 4.46Å; L121-L172 HydrophobicContact CD2-CB 4.22Å; L121-L172 HydrophobicContact CD2-CD2 4.13Å
122V98.9Very high97.2Very high0 Ų042.5 Ų42.50%025%0.245CC..EExtended strand (participates in β ladder)trans-97.5118.1171.5-176.20000109.5W89 V91 L120 L142 L144 C153 I154 I155W89-V122 HydrophobicContact CB-CG2 4.42Å; W89-V122 CarbonylContact O-C 3.41Å; W89-V122 WeakPolarHBondContact O-CA 3.35Å; V91-V122 HydrophobicContact CG2-CG1 3.96Å; L120-V122 HydrophobicContact CD1-CG2 4.13Å; L120-V122 HydrophobicContact CD2-CG2 4.2Å; L120-V122 HydrophobicContact CG-CG2 4.05Å; V122-L142 HydrophobicContact CG1-CD1 4.27Å; V122-L144 HydrophobicContact CB-CD1 4.32Å; V122-L144 HydrophobicContact CG1-CD1 4.47Å; V122-L144 HydrophobicContact CG2-CD1 3.93Å; V122-L144 HydrophobicContact CG2-CD2 4.18Å; V122-C153 PolarHBondContact N-O 3.42Å; V122-I154 HydrophobicContact CB-CB 4.13Å; V122-I154 HydrophobicContact CB-CD1 4.47Å; V122-I154 HydrophobicContact CB-CG1 4.05Å; V122-I154 HydrophobicContact CG1-CD1 4Å; V122-I154 HydrophobicContact CG1-CG1 3.99Å; V122-I154 WeakPolarHBondContact O-CA 3.44Å; V122-I155 PolarHBondContact O-N 2.84Å
123F98.9Very high97.2Very high1 Ų141.2 Ų41.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-93.6108.4167.6-83.1-47.7000109.9I32 V88 W89 V90 V91 L121 N125 I155 C157 L165 V169I32-F123 HydrophobicContact CD1-CB 4.45Å; I32-F123 HydrophobicContact CD1-CD2 3.97Å; I32-F123 HydrophobicContact CD1-CG 4.42Å; I32-F123 HydrophobicContact CG2-CE2 4.48Å; V88-F123 HydrophobicContact CG1-CD2 3.49Å; V88-F123 VanDerWaalsContact CG1-CD2 3.49Å; V88-F123 HydrophobicContact CG1-CE2 3.83Å; W89-F123 PolarHBondContact O-N 3.49Å; V90-F123 HydrophobicContact CG1-CB 4.44Å; V90-F123 HydrophobicContact CG2-CB 4.48Å; V91-F123 PolarHBondContact N-O 2.98Å; L121-F123 HydrophobicContact CD2-CD2 4.26Å; L121-F123 HydrophobicContact CD2-CE1 4.14Å; L121-F123 HydrophobicContact CD2-CE2 3.68Å; L121-F123 HydrophobicContact CD2-CZ 3.62Å; L121-F123 HydrophobicContact CG-CE2 4.47Å; L121-F123 HydrophobicContact CG-CZ 4.47Å; F123-N125 PolarHBondContact O-N 2.78Å; F123-I155 HydrophobicContact CD1-CB 4.19Å; F123-I155 HydrophobicContact CD1-CG2 4.45Å; F123-I155 HydrophobicContact CE1-CB 4.25Å; F123-I155 HydrophobicContact CE1-CG2 4.28Å; F123-C157 HydrophobicContact CD1-CB 4.02Å; F123-C157 WeakPolarHBondContact CD1-SG 3.33Å; F123-C157 HydrophobicContact CE1-CB 4.35Å; F123-L165 HydrophobicContact CE1-CD2 4.4Å; F123-L165 HydrophobicContact CZ-CD2 4.33Å; F123-V169 HydrophobicContact CZ-CG2 4.49Å
124A98.9Very high97.4Very high0 Ų036.6 Ų36.60%022%0.224CC..EExtended strand (participates in β ladder)trans-77.881.5164.900000108S93 Q127 I138 I154 I155 G156 C157S93-A124 PolarHBondContact OG-O 2.91Å; A124-Q127 WeakPolarHBondContact O-CG 3.38Å; A124-Q127 PolarHBondContact O-NE2 3.47Å; A124-I138 HydrophobicContact CB-CB 4.45Å; A124-I138 HydrophobicContact CB-CG1 4.28Å; A124-I138 HydrophobicContact CB-CG2 4.42Å; A124-I154 HydrophobicContact CB-CD1 4.19Å; A124-I154 HydrophobicContact CB-CG1 4.26Å; A124-I155 PolarHBondContact N-O 3.38Å; A124-G156 WeakPolarHBondContact O-CA 3.25Å; A124-C157 PolarHBondContact O-N 3.41Å
125N98.9Very high97.4Very high2 Ų236.3 Ų36.31%0.01123%0.226CC..EExtended strand (participates in β ladder)trans-81.3166.3-170.9-172.431.9000112A27 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 3.48Å; V90-N125 HydrophobicContact CG1-CB 3.88Å; V91-N125 WeakPolarHBondContact O-CA 3.4Å; V91-N125 WeakPolarHBondContact O-CB 3.46Å; V91-N125 PolarHBondContact O-N 3.41Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.17Å; S93-N125 PolarHBondContact OG-N 3.32Å; S93-N125 PolarHBondContact OG-O 2.92Å; F123-N125 PolarHBondContact O-N 2.78Å; N125-C157 CarbonylContact C-O 3.59Å; N125-C157 WeakPolarHBondContact CA-O 3.13Å; N125-A159 WeakPolarHBondContact OD1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 2.83Å
126K98.7Very high97.5Very high32 Ų3241.3 Ų41.314%0.13925%0.249CC..  trans67.233.4179.9-44.6-163.6-166174.40114.2N26 D92 D128 L129 A132 C157N26-K126 PolarHBondContact ND2-NZ 2.98Å; N26-K126 WeakPolarHBondContact O-CE 3.15Å; N26-K126 PolarHBondContact O-NZ 3.25Å; D92-K126 WeakPolarHBondContact OD1-CD 3.31Å; D92-K126 IonicContact OD1-NZ 2.87Å; D92-K126 VanDerWaalsContact OD2-CE 3.25Å; D92-K126 WeakPolarHBondContact OD2-CE 3.31Å; D92-K126 IonicContact OD2-NZ 3.68Å; D92-K126 PolarHBondContact OD2-NZ 3.48Å; K126-D128 WeakPolarHBondContact CA-OD1 3.31Å; K126-D128 PolarHBondContact O-N 3.19Å; K126-D128 VanDerWaalsContact O-N 3.15Å; K126-L129 HydrophobicContact CB-CD1 3.85Å; K126-L129 HydrophobicContact CB-CG 4.11Å; K126-L129 HydrophobicContact CD-CD1 3.8Å; K126-L129 HydrophobicContact CG-CD1 4.46Å; K126-L129 PolarHBondContact O-N 3.09Å; K126-A132 WeakPolarHBondContact O-CB 3.39Å; K126-C157 PolarHBondContact N-O 2.97Å; K126-C157 VanDerWaalsContact N-O 3.09Å
127Q98.8Very high97.8Very high66 Ų6639 Ų3931%0.30823%0.234SC..THydrogen-bonded Turntrans-63.6-13.3174-66.5-66.9-48.800113.2S93 A124 L129 L133 C157S93-Q127 VanDerWaalsContact CB-NE2 3.25Å; S93-Q127 PolarHBondContact OG-NE2 3.25Å; A124-Q127 WeakPolarHBondContact O-CG 3.38Å; A124-Q127 PolarHBondContact O-NE2 3.47Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 2.96Å; Q127-L133 PolarHBondContact NE2-O 3.25Å; Q127-C157 WeakPolarHBondContact CG-O 3.4Å; Q127-C157 PolarHBondContact N-O 3.22Å; Q127-C157 VanDerWaalsContact N-O 3.1Å
128D98.3Very high98.2Very high73 Ų7336.9 Ų36.939%0.3921%0.213SC..THydrogen-bonded Turntrans-71.1-17.1171.556.1-77.5000113.9K126 S158 V160 T161K126-D128 WeakPolarHBondContact CA-OD1 3.31Å; K126-D128 PolarHBondContact O-N 3.19Å; K126-D128 VanDerWaalsContact O-N 3.15Å; D128-S158 VanDerWaalsContact CG-OG 3.26Å; D128-S158 WeakPolarHBondContact OD1-CB 3.25Å; D128-S158 PolarHBondContact OD1-OG 3.41Å; D128-V160 HydrophobicContact CB-CG2 4.49Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.48Å; D128-T161 HydrophobicContact CB-CG2 4.5Å
129L98.1Very high98.3Very high70 Ų7039 Ų3937%0.36622%0.222SC..SBendtrans-86.1141-175.8-64.4-177.4000112.6A94 K126 Q127 G131 A132A94-L129 HydrophobicContact CB-CB 4.36Å; A94-L129 HydrophobicContact CB-CD1 4.04Å; K126-L129 HydrophobicContact CB-CD1 3.85Å; K126-L129 HydrophobicContact CB-CG 4.11Å; K126-L129 HydrophobicContact CD-CD1 3.8Å; K126-L129 HydrophobicContact CG-CD1 4.46Å; K126-L129 PolarHBondContact O-N 3.09Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 2.96Å; L129-G131 PolarHBondContact O-N 3.47Å; L129-A132 VanDerWaalsContact O-CB 3.32Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 2.85Å
130P96.1Very high98.3Very high126 Ų12646.4 Ų46.482%0.81826%0.257SS*.THydrogen-bonded Turntrans-62.7132.817027.9-33.6000109.9A132P130-A132 VanDerWaalsContact C-N 3.35Å
131G95.1Very high98.3Very high44 Ų4448 Ų4845%0.45427%0.271SS..THydrogen-bonded Turntrans86.60.4-179.600000115R96 L129 L133R96-G131 PolarHBondContact NE-O 2.83Å; R96-G131 PolarHBondContact NH2-O 3.08Å; L129-G131 PolarHBondContact O-N 3.47Å; G131-L133 PolarHBondContact O-N 2.94Å
132A98.4Very high98.2Very high22 Ų2248.4 Ų48.418%0.18227%0.273CS..PPolyproline II helixtrans-53.6132.1166.600000110.5S93 K126 L129 P130S93-A132 WeakPolarHBondContact O-CA 3.1Å; K126-A132 WeakPolarHBondContact O-CB 3.39Å; L129-A132 VanDerWaalsContact O-CB 3.32Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 2.85Å; P130-A132 VanDerWaalsContact C-N 3.35Å
133L98.6Very high98.2Very high31 Ų3149.8 Ų49.816%0.16228%0.284CS..PPolyproline II helixtrans-70.5147.9172.6-67.8176000110.3S93 R96 L99 Q127 G131 A137 I138S93-L133 PolarHBondContact O-N 3.34Å; R96-L133 HydrophobicContact CG-CD1 4.12Å; R96-L133 HydrophobicContact CG-CG 4.23Å; L99-L133 HydrophobicContact CD1-CD1 3.34Å; Q127-L133 PolarHBondContact NE2-O 3.25Å; G131-L133 PolarHBondContact O-N 2.94Å; L133-A137 HydrophobicContact CB-CB 4.17Å; L133-A137 HydrophobicContact CD2-CB 4.39Å; L133-I138 HydrophobicContact CB-CD1 3.87Å; L133-I138 HydrophobicContact CB-CG1 4.04Å; L133-I138 HydrophobicContact CD1-CD1 3.78Å; L133-I138 HydrophobicContact CG-CD1 4.46Å
134T98.4Very high98.2Very high74 Ų7449.7 Ų49.745%0.45428%0.284SS..PPolyproline II helixtrans-67.3160.2173.876.40000110.3E136 A137 I138T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact O-N 3.08Å; T134-E136 PolarHBondContact OG1-N 3.35Å; T134-E136 PolarHBondContact OG1-OE2 3.48Å; T134-A137 PolarHBondContact O-N 3.07Å; T134-A137 VanDerWaalsContact O-N 3.17Å; T134-A137 PolarHBondContact OG1-N 2.68Å; T134-I138 PolarHBondContact O-N 3.37Å; T134-I138 VanDerWaalsContact O-N 3.08Å
135K97Very high98.2Very high95 Ų9553.7 Ų53.741%0.41331%0.305SS..Hα-helixtrans-57.7-34.6176.367.6179.2-176176.50111.9I138 Q139 I154K135-I138 PolarHBondContact O-N 2.95Å; K135-Q139 WeakPolarHBondContact O-CB 3.22Å; K135-Q139 PolarHBondContact O-N 3.33Å; K135-I154 HydrophobicContact CB-CD1 4.38Å; K135-I154 HydrophobicContact CB-CG1 4.34Å; K135-I154 WeakPolarHBondContact O-CD1 3.34Å
136E98.5Very high98.1Very high104 Ų10459.7 Ų59.749%0.48634%0.337SS..Hα-helixtrans-66.6-42.7178.5-60.472.9-157.500111.3T134 I138 Q139 E140T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact O-N 3.08Å; T134-E136 PolarHBondContact OG1-N 3.35Å; T134-E136 PolarHBondContact OG1-OE2 3.48Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 3.17Å; E136-Q139 WeakPolarHBondContact O-CB 3.42Å; E136-Q139 PolarHBondContact O-N 2.98Å; E136-E140 PolarHBondContact O-N 3.44Å
137A98.6Very high98Very high32 Ų3259.2 Ų59.226%0.26434%0.336SS..Hα-helixtrans-66.1-36.3176.600000112L133 T134 A141L133-A137 HydrophobicContact CB-CB 4.17Å; L133-A137 HydrophobicContact CD2-CB 4.39Å; T134-A137 PolarHBondContact O-N 3.07Å; T134-A137 VanDerWaalsContact O-N 3.17Å; T134-A137 PolarHBondContact OG1-N 2.68Å; A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.13Å
138I98.8Very high97.9Very high0 Ų064.6 Ų64.60%036%0.358CS..Hα-helixtrans-68.7-40.3173.2-62.4-63.8000111V91 L99 A124 L133 T134 K135 E136 E140 A141 L142 I154V91-I138 HydrophobicContact CG1-CD1 4.26Å; V91-I138 HydrophobicContact CG1-CG2 4.18Å; L99-I138 HydrophobicContact CD1-CD1 4.29Å; L99-I138 HydrophobicContact CD2-CD1 3.57Å; A124-I138 HydrophobicContact CB-CB 4.45Å; A124-I138 HydrophobicContact CB-CG1 4.28Å; A124-I138 HydrophobicContact CB-CG2 4.42Å; L133-I138 HydrophobicContact CB-CD1 3.87Å; L133-I138 HydrophobicContact CB-CG1 4.04Å; L133-I138 HydrophobicContact CD1-CD1 3.78Å; L133-I138 HydrophobicContact CG-CD1 4.46Å; T134-I138 PolarHBondContact O-N 3.37Å; T134-I138 VanDerWaalsContact O-N 3.08Å; K135-I138 PolarHBondContact O-N 2.95Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 3.17Å; I138-E140 VanDerWaalsContact C-N 3.35Å; I138-E140 PolarHBondContact O-N 3.22Å; I138-A141 PolarHBondContact O-N 3.41Å; I138-L142 HydrophobicContact CG2-CD1 3.69Å; I138-L142 HydrophobicContact CG2-CG 4.16Å; I138-L142 WeakPolarHBondContact O-CB 3.43Å; I138-L142 VanDerWaalsContact O-CG 3.32Å; I138-L142 WeakPolarHBondContact O-CG 3.1Å; I138-L142 PolarHBondContact O-N 2.84Å; I138-I154 HydrophobicContact CB-CD1 3.96Å; I138-I154 HydrophobicContact CG2-CD1 3.72Å
139Q98.7Very high97.8Very high46 Ų4665.9 Ų65.922%0.21537%0.369CS..Hα-helixtrans-58-47.6176.3-178.5177.5-46.100111.4K135 E136 A143 L144 D145 W152 I154K135-Q139 WeakPolarHBondContact O-CB 3.22Å; K135-Q139 PolarHBondContact O-N 3.33Å; E136-Q139 WeakPolarHBondContact O-CB 3.42Å; E136-Q139 PolarHBondContact O-N 2.98Å; Q139-A143 PolarHBondContact O-N 3.21Å; Q139-L144 HydrophobicContact CB-CD1 4.31Å; Q139-L144 HydrophobicContact CG-CB 4.03Å; Q139-L144 HydrophobicContact CG-CD1 4.19Å; Q139-L144 HydrophobicContact CG-CG 4.34Å; Q139-L144 PolarHBondContact O-N 3.22Å; Q139-L144 VanDerWaalsContact O-N 3.08Å; Q139-D145 PolarHBondContact NE2-OD1 3.11Å; Q139-D145 VanDerWaalsContact NE2-OD1 3.14Å; Q139-D145 PolarHBondContact NE2-OD2 2.97Å; Q139-W152 HydrophobicContact CG-CH2 4.01Å; Q139-W152 HydrophobicContact CG-CZ3 4.34Å; Q139-I154 HydrophobicContact CB-CD1 4.34Å; Q139-I154 HydrophobicContact CB-CG2 4.43Å
140E98.6Very high97.8Very high156 Ų15663.1 Ų63.173%0.72935%0.354SS*.Hα-helixtrans-63.6-49.7175.5-175.3-179.9-176.300111.2E136 I138 L142 A143E136-E140 PolarHBondContact O-N 3.44Å; I138-E140 VanDerWaalsContact C-N 3.35Å; I138-E140 PolarHBondContact O-N 3.22Å; E140-L142 PolarHBondContact O-N 3.04Å; E140-A143 PolarHBondContact O-N 3.44Å
141A98.3Very high97.9Very high35 Ų3562.7 Ų62.729%0.28934%0.341SS..Hα-helixtrans-61.9-30.4-177.600000113.4L99 R103 A137 I138L99-A141 HydrophobicContact CD1-CB 4.14Å; R103-A141 WeakPolarHBondContact CD-O 3.43Å; A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.13Å; I138-A141 PolarHBondContact O-N 3.41Å
142L98.6Very high98Very high7 Ų763.4 Ų63.44%0.03733%0.33CS..THydrogen-bonded Turntrans-92.4-1.2176.8-60.3179.8000113.3V91 C102 R103 L106 V122 I138 E140 L144V91-L142 HydrophobicContact CG2-CD1 3.9Å; C102-L142 HydrophobicContact CB-CD2 4.11Å; R103-L142 HydrophobicContact CB-CD2 3.9Å; L106-L142 HydrophobicContact CD2-CD1 4.48Å; V122-L142 HydrophobicContact CG1-CD1 4.27Å; I138-L142 HydrophobicContact CG2-CD1 3.69Å; I138-L142 HydrophobicContact CG2-CG 4.16Å; I138-L142 WeakPolarHBondContact O-CB 3.43Å; I138-L142 VanDerWaalsContact O-CG 3.32Å; I138-L142 WeakPolarHBondContact O-CG 3.1Å; I138-L142 PolarHBondContact O-N 2.84Å; E140-L142 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 HydrophobicContact CB-CD2 3.59Å; L142-L144 HydrophobicContact CB-CG 3.93Å; L142-L144 HydrophobicContact CD1-CD2 4.24Å; L142-L144 PolarHBondContact O-N 3.17Å
143A98.1Very high98Very high29 Ų2963.6 Ų63.624%0.2433%0.33CS..THydrogen-bonded Turntrans5143.6-174.700000112.8Q139 E140 D145 D146Q139-A143 PolarHBondContact O-N 3.21Å; E140-A143 PolarHBondContact O-N 3.44Å; A143-D145 PolarHBondContact O-N 3.15Å; A143-D146 WeakPolarHBondContact O-CB 3.32Å; A143-D146 PolarHBondContact O-N 3.32Å; A143-D146 VanDerWaalsContact O-N 3.09Å
144L98.6Very high98Very high0 Ų062.7 Ų62.70%033%0.325CS..G310 helixtrans-63.9-30.3-174.8-56.1-176.4000112.3L106 V122 Q139 L142 D146 I147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.82Å; V122-L144 HydrophobicContact CB-CD1 4.32Å; V122-L144 HydrophobicContact CG1-CD1 4.47Å; V122-L144 HydrophobicContact CG2-CD1 3.93Å; V122-L144 HydrophobicContact CG2-CD2 4.18Å; Q139-L144 HydrophobicContact CB-CD1 4.31Å; Q139-L144 HydrophobicContact CG-CB 4.03Å; Q139-L144 HydrophobicContact CG-CD1 4.19Å; Q139-L144 HydrophobicContact CG-CG 4.34Å; Q139-L144 PolarHBondContact O-N 3.22Å; Q139-L144 VanDerWaalsContact O-N 3.08Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 HydrophobicContact CB-CD2 3.59Å; L142-L144 HydrophobicContact CB-CG 3.93Å; L142-L144 HydrophobicContact CD1-CD2 4.24Å; L142-L144 PolarHBondContact O-N 3.17Å; L144-D146 PolarHBondContact O-N 2.82Å; L144-I147 HydrophobicContact CB-CD1 4.31Å; L144-I147 HydrophobicContact CD2-CD1 3.73Å; L144-I147 VanDerWaalsContact O-CB 3.29Å; L144-I147 WeakPolarHBondContact O-CB 3.43Å; L144-I147 WeakPolarHBondContact O-CG1 3.47Å; L144-I147 PolarHBondContact O-N 2.78Å; L144-W152 HydrophobicContact CB-CD2 4.15Å; L144-W152 HydrophobicContact CB-CE3 4.04Å; L144-W152 HydrophobicContact CB-CH2 3.81Å; L144-W152 HydrophobicContact CB-CZ2 3.88Å; L144-W152 HydrophobicContact CB-CZ3 3.87Å; L144-W152 HydrophobicContact CD1-CE3 4.02Å; L144-W152 HydrophobicContact CD1-CZ3 3.91Å; L144-W152 VanDerWaalsContact O-CE2 3.28Å; L144-W152 WeakPolarHBondContact O-CZ2 3.38Å; L144-W152 PolarHBondContact O-NE1 3.01Å; L144-I154 HydrophobicContact CD1-CB 4.08Å; L144-I154 HydrophobicContact CD1-CD1 3.98Å
145D98.3Very high98.1Very high83 Ų8360.8 Ų60.844%0.44431%0.312SS..G310 helixtrans-63.6-20.8177.5-68.3-49.4000113.2Q139 A143 I147 K148 W152Q139-D145 PolarHBondContact NE2-OD1 3.11Å; Q139-D145 VanDerWaalsContact NE2-OD1 3.14Å; Q139-D145 PolarHBondContact NE2-OD2 2.97Å; A143-D145 PolarHBondContact O-N 3.15Å; D145-I147 VanDerWaalsContact C-N 3.3Å; D145-K148 WeakPolarHBondContact O-CE 3.32Å; D145-K148 PolarHBondContact O-NZ 3.48Å; D145-W152 WeakPolarHBondContact OD1-CZ2 3.17Å
146D97.7Very high98.1Very high129 Ų12957 Ų5769%0.6930%0.299SS*.G310 helixtrans-80-13.8175.4-65.2-19.1000112.4A143 L144 K148A143-D146 WeakPolarHBondContact O-CB 3.32Å; A143-D146 PolarHBondContact O-N 3.32Å; A143-D146 VanDerWaalsContact O-N 3.09Å; L144-D146 PolarHBondContact O-N 2.82Å; D146-K148 PolarHBondContact O-N 2.82Å; D146-K148 VanDerWaalsContact O-N 3.13Å
147I97.8Very high98.2Very high22 Ų2252 Ų5211%0.11328%0.276CS..  trans-74.2107.1178.6-57168.8000109.1L110 L120 L144 D145 H150L110-I147 HydrophobicContact CD1-CD1 3.55Å; L110-I147 HydrophobicContact CD1-CG1 3.93Å; L110-I147 HydrophobicContact CD1-CG2 4.1Å; L120-I147 HydrophobicContact CD2-CD1 3.86Å; L144-I147 HydrophobicContact CB-CD1 4.31Å; L144-I147 HydrophobicContact CD2-CD1 3.73Å; L144-I147 VanDerWaalsContact O-CB 3.29Å; L144-I147 WeakPolarHBondContact O-CB 3.43Å; L144-I147 WeakPolarHBondContact O-CG1 3.47Å; L144-I147 PolarHBondContact O-N 2.78Å; D145-I147 VanDerWaalsContact C-N 3.3Å; I147-H150 HydrophobicContact CG2-CB 4.24Å
148K96Very high98.2Very high178 Ų17850.5 Ų50.577%0.77426%0.264SS*.  trans-107-11.3173.2-53-51.5-178.5-160.40113.6D145 D146D145-K148 WeakPolarHBondContact O-CE 3.32Å; D145-K148 PolarHBondContact O-NZ 3.48Å; D146-K148 PolarHBondContact O-N 2.82Å; D146-K148 VanDerWaalsContact O-N 3.13Å
149T95.8Very high98.1Very high100 Ų10050.6 Ų50.661%0.61326%0.264SS*.SBendtrans-82.5-22.5-174.546.90000113.5
150H97.6Very high98.1Very high13 Ų1351.9 Ų51.96%0.0628%0.275CS..SBendtrans-134146.6-176.5-56.476.5000109.7L110 L115 A118 I147L110-H150 PolarHBondContact O-CE1 2.86Å; L115-H150 PolarHBondContact O-CD2 2.87Å; L115-H150 PolarHBondContact O-NE2 3.16Å; A118-H150 PolarHBondContact O-CD2 2.8Å; A118-H150 VanDerWaalsContact O-CD2 3.3Å; I147-H150 HydrophobicContact CG2-CB 4.24Å
151H97.9Very high98Very high117 Ų11748.3 Ų48.354%0.54226%0.264SS..  trans-68.4136.6162.7-67.8-168.5000108.5T119 L120 D175T119-H151 HydrophobicContact CG2-CB 4.39Å; L120-H151 PolarHBondContact N-O 3.01Å; H151-D175 IonicContact CE1-OD1 3.61Å; H151-D175 IonicContact CG-OD1 2.78Å; H151-D175 IonicContact ND1-OD1 3.81Å; H151-D175 PolarHBondContact ND1-OD1 3.27Å; H151-D175 IonicContact ND1-OD2 3.28Å
152W98.6Very high98Very high58 Ų5847.9 Ų47.922%0.2226%0.263CS..EExtended strand (participates in β ladder)trans-143.9156.1-178.968.1-94.6000113.8L120 Q139 L144 D145 I154L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 3.94Å; L120-W152 HydrophobicContact CG-CB 4.03Å; L120-W152 WeakPolarHBondContact O-CA 3.46Å; Q139-W152 HydrophobicContact CG-CH2 4.01Å; Q139-W152 HydrophobicContact CG-CZ3 4.34Å; L144-W152 HydrophobicContact CB-CD2 4.15Å; L144-W152 HydrophobicContact CB-CE3 4.04Å; L144-W152 HydrophobicContact CB-CH2 3.81Å; L144-W152 HydrophobicContact CB-CZ2 3.88Å; L144-W152 HydrophobicContact CB-CZ3 3.87Å; L144-W152 HydrophobicContact CD1-CE3 4.02Å; L144-W152 HydrophobicContact CD1-CZ3 3.91Å; L144-W152 VanDerWaalsContact O-CE2 3.28Å; L144-W152 WeakPolarHBondContact O-CZ2 3.38Å; L144-W152 PolarHBondContact O-NE1 3.01Å; D145-W152 WeakPolarHBondContact OD1-CZ2 3.17Å; W152-I154 HydrophobicContact CZ3-CB 4.48Å; W152-I154 HydrophobicContact CZ3-CG2 4.11Å
153C98.6Very high98Very high27 Ų2753 Ų5318%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-144.8150168.2-1780000109.7L120 V122 W171L120-C153 PolarHBondContact O-N 2.99Å; L120-C153 VanDerWaalsContact O-N 3.17Å; V122-C153 PolarHBondContact N-O 3.42Å; C153-W171 HydrophobicContact CB-CD2 3.39Å; C153-W171 HydrophobicContact CB-CE3 3.47Å; C153-W171 VanDerWaalsContact CB-CE3 3.47Å; C153-W171 HydrophobicContact CB-CG 4.2Å; C153-W171 HydrophobicContact CB-CH2 3.49Å; C153-W171 VanDerWaalsContact CB-CH2 3.49Å; C153-W171 HydrophobicContact CB-CZ2 3.38Å; C153-W171 HydrophobicContact CB-CZ3 3.51Å; C153-W171 VanDerWaalsContact N-CH2 3.25Å
154I98.8Very high98Very high11 Ų1155.2 Ų55.26%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-114.4130.2172.1-174167.2000110.6V122 A124 K135 I138 Q139 L144 W152V122-I154 HydrophobicContact CB-CB 4.13Å; V122-I154 HydrophobicContact CB-CD1 4.47Å; V122-I154 HydrophobicContact CB-CG1 4.05Å; V122-I154 HydrophobicContact CG1-CD1 4Å; V122-I154 HydrophobicContact CG1-CG1 3.99Å; V122-I154 WeakPolarHBondContact O-CA 3.44Å; A124-I154 HydrophobicContact CB-CD1 4.19Å; A124-I154 HydrophobicContact CB-CG1 4.26Å; K135-I154 HydrophobicContact CB-CD1 4.38Å; K135-I154 HydrophobicContact CB-CG1 4.34Å; K135-I154 WeakPolarHBondContact O-CD1 3.34Å; I138-I154 HydrophobicContact CB-CD1 3.96Å; I138-I154 HydrophobicContact CG2-CD1 3.72Å; Q139-I154 HydrophobicContact CB-CD1 4.34Å; Q139-I154 HydrophobicContact CB-CG2 4.43Å; L144-I154 HydrophobicContact CD1-CB 4.08Å; L144-I154 HydrophobicContact CD1-CD1 3.98Å; W152-I154 HydrophobicContact CZ3-CB 4.48Å; W152-I154 HydrophobicContact CZ3-CG2 4.11Å
155I98.8Very high97.9Very high35 Ų3555.4 Ų55.418%0.17930%0.295CS..EExtended strand (participates in β ladder)trans-125.4122.9177.6-60.1-66.3000109L121 V122 F123 A124 N164L121-I155 HydrophobicContact CD1-CG1 4.12Å; V122-I155 PolarHBondContact O-N 2.84Å; F123-I155 HydrophobicContact CD1-CB 4.19Å; F123-I155 HydrophobicContact CD1-CG2 4.45Å; F123-I155 HydrophobicContact CE1-CB 4.25Å; F123-I155 HydrophobicContact CE1-CG2 4.28Å; A124-I155 PolarHBondContact N-O 3.38Å; I155-N164 HydrophobicContact CG2-CB 3.8Å
156G98.8Very high97.9Very high14 Ų1456 Ų5614%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-71.2126.2167.600000109.9A124 N164A124-G156 WeakPolarHBondContact O-CA 3.25Å; G156-N164 VanDerWaalsContact O-CB 3.27Å; G156-N164 WeakPolarHBondContact O-CB 3.35Å; G156-N164 PolarHBondContact O-ND2 2.83Å
157C98.8Very high97.9Very high1 Ų152.1 Ų52.11%0.00728%0.284CS..  trans-144.9169.3-175.770.40000112.9F123 A124 N125 K126 Q127 E163 N164 L165F123-C157 HydrophobicContact CD1-CB 4.02Å; F123-C157 WeakPolarHBondContact CD1-SG 3.33Å; F123-C157 HydrophobicContact CE1-CB 4.35Å; A124-C157 PolarHBondContact O-N 3.41Å; N125-C157 CarbonylContact C-O 3.59Å; N125-C157 WeakPolarHBondContact CA-O 3.13Å; K126-C157 PolarHBondContact N-O 2.97Å; K126-C157 VanDerWaalsContact N-O 3.09Å; Q127-C157 WeakPolarHBondContact CG-O 3.4Å; Q127-C157 PolarHBondContact N-O 3.22Å; Q127-C157 VanDerWaalsContact N-O 3.1Å; C157-E163 WeakPolarHBondContact CA-O 3.28Å; C157-E163 VanDerWaalsContact CB-O 3.28Å; C157-E163 WeakPolarHBondContact CB-O 3.3Å; C157-N164 HydrophobicContact CB-CB 4.21Å; C157-L165 HydrophobicContact CB-CD2 3.89Å
158S98.6Very high97.9Very high0 Ų051.1 Ų51.10%028%0.279CS..  trans-130.7113.5168.7172.60000109.7D128 V160 T161 G162 E163D128-S158 VanDerWaalsContact CG-OG 3.26Å; D128-S158 WeakPolarHBondContact OD1-CB 3.25Å; D128-S158 PolarHBondContact OD1-OG 3.41Å; S158-V160 PolarHBondContact O-N 3.36Å; S158-V160 WeakPolarHBondContact OG-CG2 2.92Å; S158-T161 VanDerWaalsContact CB-OG1 3.25Å; S158-T161 WeakPolarHBondContact CB-OG1 3.29Å; S158-T161 PolarHBondContact OG-N 2.88Å; S158-T161 PolarHBondContact OG-OG1 2.94Å; S158-G162 CarbonylContact O-C 3.51Å; S158-G162 VanDerWaalsContact O-CA 3.31Å; S158-G162 WeakPolarHBondContact O-CA 3.44Å; S158-G162 PolarHBondContact O-N 2.94Å; S158-E163 PolarHBondContact N-O 3.14Å; S158-E163 PolarHBondContact O-N 3.25Å
159A98.3Very high98Very high2 Ų243 Ų432%0.01725%0.245CC..THydrogen-bonded Turntrans-62.1-31.8176.200000112.6T31 I32 K35 N125T31-A159 HydrophobicContact CG2-CB 3.68Å; I32-A159 HydrophobicContact CD1-CB 4.46Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; K35-A159 WeakPolarHBondContact CD-O 3.34Å; K35-A159 WeakPolarHBondContact CG-O 3.23Å; N125-A159 WeakPolarHBondContact OD1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 2.83Å
160V97.4Very high98.1Very high73 Ų7340.3 Ų40.344%0.44223%0.226SC..THydrogen-bonded Turntrans-76.2-42.1-176.9-650000111.5T31 K35 D128 S158T31-V160 HydrophobicContact CG2-CG1 4.31Å; K35-V160 PolarHBondContact NZ-O 3.22Å; D128-V160 HydrophobicContact CB-CG2 4.49Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.48Å; S158-V160 PolarHBondContact O-N 3.36Å; S158-V160 WeakPolarHBondContact OG-CG2 2.92Å
161T97.1Very high98.1Very high80 Ų8043.2 Ų43.249%0.49124%0.237SC..THydrogen-bonded Turntrans-80.6-33.2176.770.30000111.6K35 D128 S158 E163K35-T161 VanDerWaalsContact CE-O 3.23Å; K35-T161 WeakPolarHBondContact CE-O 3.44Å; K35-T161 PolarHBondContact NZ-O 3.43Å; K35-T161 VanDerWaalsContact NZ-O 3.13Å; D128-T161 HydrophobicContact CB-CG2 4.5Å; S158-T161 VanDerWaalsContact CB-OG1 3.25Å; S158-T161 WeakPolarHBondContact CB-OG1 3.29Å; S158-T161 PolarHBondContact OG-N 2.88Å; S158-T161 PolarHBondContact OG-OG1 2.94Å; T161-E163 VanDerWaalsContact OG1-CB 3.31Å; T161-E163 WeakPolarHBondContact OG1-CB 3.22Å; T161-E163 PolarHBondContact OG1-N 3.2Å; T161-E163 VanDerWaalsContact OG1-N 3.15Å
162G97.6Very high98.1Very high26 Ų2637.7 Ų37.727%0.26821%0.211SC..  trans93.41.4-171.800000113.5S158 N164S158-G162 CarbonylContact O-C 3.51Å; S158-G162 VanDerWaalsContact O-CA 3.31Å; S158-G162 WeakPolarHBondContact O-CA 3.44Å; S158-G162 PolarHBondContact O-N 2.94Å; G162-N164 PolarHBondContact O-N 3.22Å
163E98.3Very high98Very high116 Ų11634.9 Ų34.954%0.54220%0.2SC..THydrogen-bonded Turntrans-61133.4-178-170.5-177.9167.300111.6C157 S158 T161 L165C157-E163 WeakPolarHBondContact CA-O 3.28Å; C157-E163 VanDerWaalsContact CB-O 3.28Å; C157-E163 WeakPolarHBondContact CB-O 3.3Å; S158-E163 PolarHBondContact N-O 3.14Å; S158-E163 PolarHBondContact O-N 3.25Å; T161-E163 VanDerWaalsContact OG1-CB 3.31Å; T161-E163 WeakPolarHBondContact OG1-CB 3.22Å; T161-E163 PolarHBondContact OG1-N 3.2Å; T161-E163 VanDerWaalsContact OG1-N 3.15Å; E163-L165 PolarHBondContact O-N 3.48Å
164N98.3Very high97.9Very high74 Ų7437.9 Ų37.940%0.39622%0.215SC..THydrogen-bonded Turntrans59.44.1177.3-58.9-32.2000117I155 G156 C157 G162 A167 G168I155-N164 HydrophobicContact CG2-CB 3.8Å; G156-N164 VanDerWaalsContact O-CB 3.27Å; G156-N164 WeakPolarHBondContact O-CB 3.35Å; G156-N164 PolarHBondContact O-ND2 2.83Å; C157-N164 HydrophobicContact CB-CB 4.21Å; G162-N164 PolarHBondContact O-N 3.22Å; N164-A167 PolarHBondContact O-N 3.34Å; N164-G168 PolarHBondContact O-N 3.5Å
165L98.1Very high97.8Very high4 Ų438.8 Ų38.82%0.02122%0.219CC..Hα-helixtrans-62.1-47.7177-64.4-174.8000111.9I32 K35 F36 F123 C157 E163 G168 V169I32-L165 HydrophobicContact CD1-CD2 4.33Å; I32-L165 HydrophobicContact CG1-CD2 4Å; I32-L165 HydrophobicContact CG2-CD1 4.44Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å; K35-L165 HydrophobicContact CB-CD1 4.02Å; K35-L165 HydrophobicContact CG-CD1 3.83Å; F36-L165 HydrophobicContact CE1-CB 3.58Å; F36-L165 HydrophobicContact CE1-CD1 4.47Å; F36-L165 HydrophobicContact CZ-CB 3.68Å; F123-L165 HydrophobicContact CE1-CD2 4.4Å; F123-L165 HydrophobicContact CZ-CD2 4.33Å; C157-L165 HydrophobicContact CB-CD2 3.89Å; E163-L165 PolarHBondContact O-N 3.48Å; L165-G168 PolarHBondContact O-N 3.04Å; L165-V169 PolarHBondContact O-N 3.41Å; L165-V169 VanDerWaalsContact O-N 3.15Å
166L97.1Very high97.6Very high96 Ų9637.1 Ų37.150%0.50321%0.211SC..Hα-helixtrans-65.1-39.3178.8-73.3176.1000112F36 G168 V169 D170F36-L166 HydrophobicContact CD1-CD2 4.31Å; F36-L166 HydrophobicContact CE1-CD2 4.1Å; L166-G168 VanDerWaalsContact C-N 3.31Å; L166-G168 PolarHBondContact O-N 2.89Å; L166-V169 PolarHBondContact O-N 2.99Å; L166-D170 WeakPolarHBondContact O-CB 3.48Å; L166-D170 VanDerWaalsContact O-CG 3.26Å; L166-D170 PolarHBondContact O-N 3.39Å
167A97.9Very high97.2Very high48 Ų4837.2 Ų37.240%0.39721%0.211SC..Hα-helixtrans-60.5-40.6178.200000112.2N164 D170 W171N164-A167 PolarHBondContact O-N 3.34Å; A167-D170 PolarHBondContact O-N 2.75Å; A167-W171 PolarHBondContact O-N 2.78Å; A167-W171 VanDerWaalsContact O-N 3.14Å
168G98.2Very high96.8Very high0 Ų040 Ų400%023%0.234CC..Hα-helixtrans-67.5-42.8175.500000113.1L121 N164 L165 L166 D170 W171 L172L121-G168 WeakPolarHBondContact CD2-O 3.29Å; N164-G168 PolarHBondContact O-N 3.5Å; L165-G168 PolarHBondContact O-N 3.04Å; L166-G168 VanDerWaalsContact C-N 3.31Å; L166-G168 PolarHBondContact O-N 2.89Å; G168-D170 VanDerWaalsContact C-N 3.35Å; G168-W171 PolarHBondContact O-N 3.1Å; G168-L172 PolarHBondContact O-N 3.27Å; G168-L172 VanDerWaalsContact O-N 3.08Å
169V97.6Very high96.2Very high9 Ų944 Ų446%0.05525%0.248CC..Hα-helixtrans-63.8-42.7175.11730000110.7F36 L62 F123 L165 L166 W171 L172 L173F36-V169 HydrophobicContact CE1-CG2 4.01Å; F36-V169 HydrophobicContact CE2-CG2 3.93Å; F36-V169 HydrophobicContact CZ-CB 4.5Å; F36-V169 HydrophobicContact CZ-CG2 3.34Å; L62-V169 HydrophobicContact CD1-CG1 4.03Å; F123-V169 HydrophobicContact CZ-CG2 4.49Å; L165-V169 PolarHBondContact O-N 3.41Å; L165-V169 VanDerWaalsContact O-N 3.15Å; L166-V169 PolarHBondContact O-N 2.99Å; V169-W171 VanDerWaalsContact C-N 3.34Å; V169-W171 PolarHBondContact O-N 3.49Å; V169-L172 WeakPolarHBondContact O-CB 3.47Å; V169-L172 PolarHBondContact O-N 2.65Å; V169-L172 VanDerWaalsContact O-N 3.1Å; V169-L173 HydrophobicContact CG1-CD1 4.04Å; V169-L173 HydrophobicContact CG1-CD2 4.47Å; V169-L173 HydrophobicContact CG1-CG 3.99Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.44Å; V169-L173 PolarHBondContact O-N 3.39Å
170D97.8Very high95.3Very high43 Ų4345.1 Ų45.123%0.2325%0.254CS..Hα-helixtrans-56.2-48.4178.2-79.8-27.5000111.9H57 K58 L166 A167 G168 L172 L173 D174H57-D170 IonicContact CD2-OD1 2.65Å; H57-D170 IonicContact CE1-OD1 4Å; H57-D170 IonicContact NE2-OD1 3.98Å; H57-D170 PolarHBondContact NE2-OD1 3.01Å; K58-D170 WeakPolarHBondContact CD-OD1 3.21Å; K58-D170 WeakPolarHBondContact CE-OD1 3.47Å; K58-D170 IonicContact NZ-OD1 2.82Å; K58-D170 PolarHBondContact NZ-OD1 3.07Å; L166-D170 WeakPolarHBondContact O-CB 3.48Å; L166-D170 VanDerWaalsContact O-CG 3.26Å; L166-D170 PolarHBondContact O-N 3.39Å; A167-D170 PolarHBondContact O-N 2.75Å; G168-D170 VanDerWaalsContact C-N 3.35Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 2.87Å; D170-L173 PolarHBondContact O-N 3.47Å; D170-D174 WeakPolarHBondContact O-CB 3.21Å; D170-D174 PolarHBondContact O-N 2.99Å
171W98.3Very high93.9Very high74 Ų7443.1 Ų43.128%0.2824%0.24SC..Hα-helixtrans-59.1-45.3175.1175.486.3000111.9T119 L120 L121 C153 A167 G168 V169 L173 D174 D175T119-W171 HydrophobicContact CG2-CH2 3.59Å; T119-W171 HydrophobicContact CG2-CZ3 3.69Å; L120-W171 WeakPolarHBondContact O-CZ3 3.33Å; L121-W171 HydrophobicContact CB-CZ3 4.4Å; L121-W171 HydrophobicContact CD1-CE3 4.14Å; C153-W171 HydrophobicContact CB-CD2 3.39Å; C153-W171 HydrophobicContact CB-CE3 3.47Å; C153-W171 VanDerWaalsContact CB-CE3 3.47Å; C153-W171 HydrophobicContact CB-CG 4.2Å; C153-W171 HydrophobicContact CB-CH2 3.49Å; C153-W171 VanDerWaalsContact CB-CH2 3.49Å; C153-W171 HydrophobicContact CB-CZ2 3.38Å; C153-W171 HydrophobicContact CB-CZ3 3.51Å; C153-W171 VanDerWaalsContact N-CH2 3.25Å; A167-W171 PolarHBondContact O-N 2.78Å; A167-W171 VanDerWaalsContact O-N 3.14Å; G168-W171 PolarHBondContact O-N 3.1Å; V169-W171 VanDerWaalsContact C-N 3.34Å; V169-W171 PolarHBondContact O-N 3.49Å; W171-L173 PolarHBondContact O-N 3.38Å; W171-D174 PolarHBondContact O-N 2.99Å; W171-D175 PolarHBondContact O-N 2.79Å
172L98.2Very high92.3Very high0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-61.3-44.3180178.862.8000111.6L19 V88 T119 L121 G168 V169 D170 I176L19-L172 HydrophobicContact CD1-CD2 4.22Å; L19-L172 HydrophobicContact CD2-CD2 3.99Å; V88-L172 HydrophobicContact CG2-CD2 3.76Å; T119-L172 HydrophobicContact CG2-CD1 3.5Å; T119-L172 VanDerWaalsContact CG2-CD1 3.5Å; L121-L172 HydrophobicContact CB-CB 4.36Å; L121-L172 HydrophobicContact CB-CD1 4.19Å; L121-L172 HydrophobicContact CB-CD2 4.1Å; L121-L172 HydrophobicContact CB-CG 4.46Å; L121-L172 HydrophobicContact CD2-CB 4.22Å; L121-L172 HydrophobicContact CD2-CD2 4.13Å; G168-L172 PolarHBondContact O-N 3.27Å; G168-L172 VanDerWaalsContact O-N 3.08Å; V169-L172 WeakPolarHBondContact O-CB 3.47Å; V169-L172 PolarHBondContact O-N 2.65Å; V169-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 2.87Å; L172-I176 HydrophobicContact CD1-CD1 3.79Å; L172-I176 HydrophobicContact CD1-CG1 4.24Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 WeakPolarHBondContact O-CB 3.39Å; L172-I176 WeakPolarHBondContact O-CD1 3.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.49Å; L172-I176 PolarHBondContact O-N 3.08Å
173L96.2Very high90.1Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-66.1-41.4178.5-62.8-174000111.9M17 H57 K58 F60 L62 V169 D170 W171 I176 A177M17-L173 HydrophobicContact CE-CB 4.44Å; M17-L173 HydrophobicContact CE-CD2 4.22Å; M17-L173 HydrophobicContact SD-CD2 3.34Å; M17-L173 WeakPolarHBondContact SD-CD2 3.44Å; M17-L173 HydrophobicContact SD-CG 4.49Å; H57-L173 HydrophobicContact CB-CD1 4.47Å; K58-L173 HydrophobicContact CB-CD1 4.49Å; K58-L173 HydrophobicContact CD-CD1 4.44Å; F60-L173 HydrophobicContact CD2-CD1 4.37Å; L62-L173 HydrophobicContact CD1-CD1 4.18Å; L62-L173 HydrophobicContact CD1-CD2 4.12Å; L62-L173 HydrophobicContact CD2-CD1 4.18Å; L62-L173 HydrophobicContact CD2-CD2 3.35Å; L62-L173 HydrophobicContact CD2-CG 4.41Å; L62-L173 HydrophobicContact CG-CD2 4.38Å; V169-L173 HydrophobicContact CG1-CD1 4.04Å; V169-L173 HydrophobicContact CG1-CD2 4.47Å; V169-L173 HydrophobicContact CG1-CG 3.99Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.44Å; V169-L173 PolarHBondContact O-N 3.39Å; D170-L173 PolarHBondContact O-N 3.47Å; W171-L173 PolarHBondContact O-N 3.38Å; L173-I176 PolarHBondContact O-N 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.48Å
174D95.8Very high87.5Confident90 Ų9051.8 Ų51.848%0.48128%0.282SS..Hα-helixtrans-65.6-41.6-178.2-65.5-16.3000110.4K58 D170 W171 A177 A178K58-D174 VanDerWaalsContact NZ-CG 3.31Å; K58-D174 IonicContact NZ-OD1 3.01Å; K58-D174 PolarHBondContact NZ-OD1 3.13Å; K58-D174 IonicContact NZ-OD2 3.71Å; K58-D174 PolarHBondContact NZ-OD2 3.18Å; D170-D174 WeakPolarHBondContact O-CB 3.21Å; D170-D174 PolarHBondContact O-N 2.99Å; W171-D174 PolarHBondContact O-N 2.99Å; D174-A177 PolarHBondContact O-N 2.86Å; D174-A178 WeakPolarHBondContact O-CB 3.44Å; D174-A178 PolarHBondContact O-N 3.43Å
175D96.4Very high87Confident29 Ų2950.7 Ų50.716%0.15528%0.276CS..Hα-helixtrans-67-46.4175-177.382.8000112.6T119 H151 W171 A177 A178 R179T119-D175 WeakPolarHBondContact CB-OD2 3.22Å; T119-D175 HydrophobicContact CG2-CB 4.01Å; T119-D175 WeakPolarHBondContact CG2-OD2 3.49Å; T119-D175 PolarHBondContact OG1-OD2 3.11Å; H151-D175 IonicContact CE1-OD1 3.61Å; H151-D175 IonicContact CG-OD1 2.78Å; H151-D175 IonicContact ND1-OD1 3.81Å; H151-D175 PolarHBondContact ND1-OD1 3.27Å; H151-D175 IonicContact ND1-OD2 3.28Å; W171-D175 PolarHBondContact O-N 2.79Å; D175-A177 VanDerWaalsContact C-N 3.27Å; D175-A177 PolarHBondContact O-N 3.39Å; D175-A178 PolarHBondContact O-N 3.24Å; D175-R179 PolarHBondContact O-N 3.38Å
176I94.5Very high86.4Confident0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-59.9-42.3176.3-68169.1000110.2M17 L19 D85 L172 L173 R179 I180M17-I176 HydrophobicContact CE-CB 4.02Å; M17-I176 HydrophobicContact CE-CG2 3.74Å; M17-I176 HydrophobicContact CG-CG2 4.23Å; M17-I176 HydrophobicContact SD-CB 4.01Å; M17-I176 HydrophobicContact SD-CD1 4.14Å; M17-I176 HydrophobicContact SD-CG2 3.66Å; L19-I176 HydrophobicContact CD2-CD1 3.91Å; D85-I176 HydrophobicContact CB-CD1 4.27Å; D85-I176 HydrophobicContact CB-CG2 4.1Å; L172-I176 HydrophobicContact CD1-CD1 3.79Å; L172-I176 HydrophobicContact CD1-CG1 4.24Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 WeakPolarHBondContact O-CB 3.39Å; L172-I176 WeakPolarHBondContact O-CD1 3.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.49Å; L172-I176 PolarHBondContact O-N 3.08Å; L173-I176 PolarHBondContact O-N 3.27Å; I176-R179 PolarHBondContact O-N 3.09Å; I176-I180 HydrophobicContact CG2-CD1 3.52Å; I176-I180 HydrophobicContact CG2-CG1 4.13Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 WeakPolarHBondContact O-CG1 3.16Å; I176-I180 PolarHBondContact O-N 2.94Å
177A91.8Very high85.8Confident17 Ų1750.7 Ų50.714%0.1428%0.277CS..Hα-helixtrans-66.1-40.5179.600000112.2M17 F60 L173 D174 D175 R179 I180 F181 T182M17-A177 HydrophobicContact CE-CB 4.16Å; F60-A177 HydrophobicContact CZ-CB 3.94Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.48Å; D174-A177 PolarHBondContact O-N 2.86Å; D175-A177 VanDerWaalsContact C-N 3.27Å; D175-A177 PolarHBondContact O-N 3.39Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 2.71Å; A177-I180 PolarHBondContact O-N 3.41Å; A177-F181 HydrophobicContact CB-CD2 3.86Å; A177-F181 WeakPolarHBondContact O-CA 3.45Å; A177-F181 WeakPolarHBondContact O-CB 3.44Å; A177-F181 PolarHBondContact O-N 3.29Å; A177-T182 PolarHBondContact O-N 3Å
178A89.8Confident85.1Confident59 Ų5950.9 Ų50.949%0.48827%0.27SS..Hα-helixtrans-59.4-37.7174.900000112.1D174 D175 T182D174-A178 WeakPolarHBondContact O-CB 3.44Å; D174-A178 PolarHBondContact O-N 3.43Å; D175-A178 PolarHBondContact O-N 3.24Å; A178-T182 VanDerWaalsContact C-OG1 3.26Å; A178-T182 WeakPolarHBondContact CA-OG1 3.29Å; A178-T182 PolarHBondContact O-OG1 3.24Å
179R85.6Confident84.3Confident83 Ų8354.1 Ų54.131%0.31329%0.287SS..Hα-helixtrans-77.6-46.1178.9-174.1-176.466.8-140.6-6.7113.3D85 G117 T119 D175 I176 A177D85-R179 PolarHBondContact O-NH2 3.45Å; G117-R179 PolarHBondContact O-NE 2.84Å; G117-R179 PolarHBondContact O-NH1 3.26Å; G117-R179 PolarHBondContact O-NH2 2.65Å; T119-R179 PolarHBondContact OG1-NH1 2.59Å; D175-R179 PolarHBondContact O-N 3.38Å; I176-R179 PolarHBondContact O-N 3.09Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 2.71Å
180I78.8Confident83.4Confident27 Ų2757.1 Ų57.114%0.13830%0.303CS..Hα-helixtrans-91.2-40.8-168.5-60.2-176000111.9K11 D85 I176 A177K11-I180 HydrophobicContact CD-CG2 4.3Å; D85-I180 HydrophobicContact CB-CD1 4.28Å; D85-I180 VanDerWaalsContact OD1-CD1 3.28Å; D85-I180 WeakPolarHBondContact OD1-CD1 3.44Å; I176-I180 HydrophobicContact CG2-CD1 3.52Å; I176-I180 HydrophobicContact CG2-CG1 4.13Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 WeakPolarHBondContact O-CG1 3.16Å; I176-I180 PolarHBondContact O-N 2.94Å; A177-I180 PolarHBondContact O-N 3.41Å
181F69.7Low82.4Confident31 Ų3158.1 Ų58.114%0.13631%0.308CS..THydrogen-bonded Turntrans-103.6-22-165.7-57.9-54.4000114.1K11 Q12 M17 F60 A177K11-F181 HydrophobicContact CG-CE1 4.34Å; K11-F181 WeakPolarHBondContact O-CE1 3.43Å; Q12-F181 HydrophobicContact CB-CD1 4.24Å; Q12-F181 HydrophobicContact CG-CB 4.45Å; Q12-F181 HydrophobicContact CG-CD1 3.57Å; Q12-F181 HydrophobicContact CG-CE1 4.36Å; Q12-F181 HydrophobicContact CG-CG 4.48Å; Q12-F181 PolarHBondContact NE2-O 2.68Å; M17-F181 HydrophobicContact CE-CD2 4.3Å; M17-F181 HydrophobicContact CE-CE2 3.63Å; F60-F181 HydrophobicContact CD1-CE2 4.09Å; F60-F181 AromaticContact CE1-CD2 3.7Å; F60-F181 HydrophobicContact CE1-CD2 3.7Å; F60-F181 AromaticContact CE1-CE2 3.42Å; F60-F181 HydrophobicContact CE1-CE2 3.42Å; F60-F181 VanDerWaalsContact CE1-CE2 3.42Å; F60-F181 HydrophobicContact CE1-CZ 4.24Å; F60-F181 HydrophobicContact CZ-CD2 4.13Å; F60-F181 HydrophobicContact CZ-CE2 4.22Å; A177-F181 HydrophobicContact CB-CD2 3.86Å; A177-F181 WeakPolarHBondContact O-CA 3.45Å; A177-F181 WeakPolarHBondContact O-CB 3.44Å; A177-F181 PolarHBondContact O-N 3.29Å
182T62.1Low81.2Confident99 Ų9956.8 Ų56.861%0.60731%0.31SS*.SBendtrans-106.83.9179.149.60000115.1A177 A178 E184A177-T182 PolarHBondContact O-N 3Å; A178-T182 VanDerWaalsContact C-OG1 3.26Å; A178-T182 WeakPolarHBondContact CA-OG1 3.29Å; A178-T182 PolarHBondContact O-OG1 3.24Å; T182-E184 PolarHBondContact O-N 2.84Å
183A51.9Low79.8Confident42 Ų4261.6 Ų61.635%0.34734%0.336SS..  trans-71.397.717000000109.7K8K8-A183 PolarHBondContact NZ-O 2.78Å
184E44.8Very low78.3Confident262 Ų26267.2 Ų67.2100%1.22437%0.366SS*.  trans-620163-67.8-170.3156.200111.5T182T182-E184 PolarHBondContact O-N 2.84Å

Retrieved 184 of 184 residues in 59.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).