A0A096MLM1_PAPAN Loading...

Pleckstrin homology domain-containing family F member 2

May play a role in early endosome fusion upstream of RAB5, hence regulating receptor trafficking and fluid-phase transport. Enhances cellular sensitivity to TNF-induced apoptosis.

AlphaFold DB , UniProt , Accession A0A096MLM1, Species PAPAN (Papio anubis, Olive baboon), Gene PLEKHF2, Length 249 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
1M52.8Low71Confident193 Ų19393.7 Ų93.795%0.95148%0.478SS*.  0-44.80-164.8178.5-84.400111.5D3 R4M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.38Å; M1-R4 PolarHBondContact O-N 3.32Å
2V57.6Low72.7Confident36 Ų3691.7 Ų91.722%0.21847%0.473CS..Hα-helixtrans-60.4-37.8175.9-175.60000112.7R4 L5 A6 V35 I37 N59V2-R4 VanDerWaalsContact C-N 3.28Å; V2-R4 PolarHBondContact O-N 2.95Å; V2-L5 PolarHBondContact O-N 3.43Å; V2-A6 PolarHBondContact O-N 3.32Å; V2-V35 HydrophobicContact CG1-CB 4.03Å; V2-V35 HydrophobicContact CG1-CG1 4.41Å; V2-V35 HydrophobicContact CG1-CG2 3.71Å; V2-I37 HydrophobicContact CG2-CD1 4.44Å; V2-N59 HydrophobicContact CG1-CB 4.37Å
3D56.6Low74.2Confident115 Ų11597.2 Ų97.262%0.61548%0.484SS*.Hα-helixtrans-66-26.7-177.4-48.2-59.3000113.8M1 L5 K136M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.38Å; D3-L5 VanDerWaalsContact C-N 3.32Å; D3-K136 IonicContact OD1-NZ 3.88Å
4R60.3Low75.7Confident232 Ų23297.4 Ų97.488%0.87548%0.477SS*.Hα-helixtrans-74.5-22.3173.6-78.6-171.6171.4177.1-2.5112.8M1 V2M1-R4 PolarHBondContact O-N 3.32Å; V2-R4 VanDerWaalsContact C-N 3.28Å; V2-R4 PolarHBondContact O-N 2.95Å
5L65.4Low77Confident82 Ų8291.1 Ų91.143%0.42945%0.446SS..Hα-helixtrans-96.7-26.8-176.4-66.9170.9000112.9V2 D3 N7 S8 N11 V35V2-L5 PolarHBondContact O-N 3.43Å; D3-L5 VanDerWaalsContact C-N 3.32Å; L5-N7 PolarHBondContact O-N 3Å; L5-S8 PolarHBondContact O-N 3.26Å; L5-S8 PolarHBondContact O-OG 3.41Å; L5-N11 WeakPolarHBondContact O-CB 3.49Å; L5-V35 HydrophobicContact CB-CG1 4.37Å
6A65.8Low78.1Confident12 Ų1288.2 Ų88.210%0.09944%0.437CS..THydrogen-bonded Turntrans-51.5-30.6-175.100000115.2V2 N11 V35V2-A6 PolarHBondContact O-N 3.32Å; A6-N11 PolarHBondContact O-ND2 3.48Å; A6-V35 HydrophobicContact CB-CG2 3.64Å
7N71Confident79Confident128 Ų12889.2 Ų89.268%0.68444%0.443SS*.THydrogen-bonded Turntrans-122.818.6-178.6-54.9-49.1000112.7L5L5-N7 PolarHBondContact O-N 3Å
8S83.9Confident79.9Confident31 Ų3184.4 Ų84.422%0.21742%0.42CS..  trans-76.3141.5175670000110.4L5 A10 N11 T12L5-S8 PolarHBondContact O-N 3.26Å; L5-S8 PolarHBondContact O-OG 3.41Å; S8-A10 PolarHBondContact O-N 3.05Å; S8-A10 VanDerWaalsContact O-N 3.16Å; S8-N11 PolarHBondContact O-N 2.93Å; S8-N11 VanDerWaalsContact OG-CB 3.31Å; S8-N11 WeakPolarHBondContact OG-CB 3.46Å; S8-N11 PolarHBondContact OG-N 3.39Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; S8-T12 PolarHBondContact O-N 3.42Å; S8-T12 VanDerWaalsContact O-N 3.11Å; S8-T12 PolarHBondContact O-OG1 3.34Å
9E86.1Confident80.7Confident136 Ų13682 Ų8264%0.63641%0.407SS*.Hα-helixtrans-54-36172.5-72-167.3-170.500112N11 T12 R13E9-N11 PolarHBondContact O-N 3.32Å; E9-T12 PolarHBondContact O-N 2.73Å; E9-R13 WeakPolarHBondContact O-CB 3.43Å; E9-R13 VanDerWaalsContact O-CG 3.28Å; E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.23Å; E9-R13 IonicContact OE2-CZ 3.89Å; E9-R13 IonicContact OE2-NE 3.94Å; E9-R13 IonicContact OE2-NH2 2.98Å; E9-R13 PolarHBondContact OE2-NH2 3.42Å
10A89.1Confident81.4Confident61 Ų6183.6 Ų83.650%0.50442%0.417SS..Hα-helixtrans-60.9-42.9177.400000111.9S8 R14S8-A10 PolarHBondContact O-N 3.05Å; S8-A10 VanDerWaalsContact O-N 3.16Å; A10-R14 WeakPolarHBondContact O-CD 3.15Å; A10-R14 VanDerWaalsContact O-CG 3.23Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å; A10-R14 PolarHBondContact O-N 3.23Å; A10-R14 VanDerWaalsContact O-N 3.1Å
11N92.4Very high82Confident5 Ų580.2 Ų80.23%0.02740%0.402CS..Hα-helixtrans-64.7-50175.1-179.361.3000110.8L5 A6 S8 E9 R13 R14 I15 R34 V35 L36L5-N11 WeakPolarHBondContact O-CB 3.49Å; A6-N11 PolarHBondContact O-ND2 3.48Å; S8-N11 PolarHBondContact O-N 2.93Å; S8-N11 VanDerWaalsContact OG-CB 3.31Å; S8-N11 WeakPolarHBondContact OG-CB 3.46Å; S8-N11 PolarHBondContact OG-N 3.39Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; E9-N11 PolarHBondContact O-N 3.32Å; N11-R13 VanDerWaalsContact C-N 3.3Å; N11-R13 PolarHBondContact O-N 2.97Å; N11-R14 WeakPolarHBondContact O-CB 3.23Å; N11-R14 PolarHBondContact O-N 2.98Å; N11-I15 WeakPolarHBondContact O-CG1 3.3Å; N11-I15 PolarHBondContact O-N 3.16Å; N11-R34 PolarHBondContact ND2-O 2.95Å; N11-V35 WeakPolarHBondContact OD1-CA 3.46Å; N11-L36 PolarHBondContact OD1-N 3.48Å; N11-L36 VanDerWaalsContact OD1-N 3.08Å
12T91.1Very high84Confident69 Ų6971.6 Ų71.642%0.42336%0.359SS..Hα-helixtrans-55.7-44.5179.2-53.40000112S8 E9 R14 I15 S16S8-T12 PolarHBondContact O-N 3.42Å; S8-T12 VanDerWaalsContact O-N 3.11Å; S8-T12 PolarHBondContact O-OG1 3.34Å; E9-T12 PolarHBondContact O-N 2.73Å; T12-R14 PolarHBondContact O-N 2.91Å; T12-I15 PolarHBondContact O-N 2.92Å; T12-S16 WeakPolarHBondContact O-CB 3.22Å; T12-S16 PolarHBondContact O-N 3Å
13R93.1Very high85.6Confident164 Ų16471.8 Ų71.862%0.61937%0.368SS*.Hα-helixtrans-61.3-44.4175.6-71.3177.1-161.5-135.87.9111.9E9 N11 I15 S16 I17E9-R13 WeakPolarHBondContact O-CB 3.43Å; E9-R13 VanDerWaalsContact O-CG 3.28Å; E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.23Å; E9-R13 IonicContact OE2-CZ 3.89Å; E9-R13 IonicContact OE2-NE 3.94Å; E9-R13 IonicContact OE2-NH2 2.98Å; E9-R13 PolarHBondContact OE2-NH2 3.42Å; N11-R13 VanDerWaalsContact C-N 3.3Å; N11-R13 PolarHBondContact O-N 2.97Å; R13-I15 PolarHBondContact O-N 3.27Å; R13-S16 PolarHBondContact O-N 3.05Å; R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.32Å; R13-I17 PolarHBondContact O-N 3.32Å
14R94.8Very high87.1Confident100 Ų10071.9 Ų71.938%0.37738%0.384SS..Hα-helixtrans-60.9-43.9177.7-72.9168.168-143.1-2.1111.9A10 N11 T12 I17 V18 L36A10-R14 WeakPolarHBondContact O-CD 3.15Å; A10-R14 VanDerWaalsContact O-CG 3.23Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å; A10-R14 PolarHBondContact O-N 3.23Å; A10-R14 VanDerWaalsContact O-N 3.1Å; N11-R14 WeakPolarHBondContact O-CB 3.23Å; N11-R14 PolarHBondContact O-N 2.98Å; T12-R14 PolarHBondContact O-N 2.91Å; R14-I17 PolarHBondContact O-N 3.47Å; R14-V18 WeakPolarHBondContact O-CG2 3.21Å; R14-V18 PolarHBondContact O-N 3.44Å; R14-L36 HydrophobicContact CB-CD2 4.08Å; R14-L36 PolarHBondContact NH1-O 3.42Å; R14-L36 VanDerWaalsContact NH1-O 3.12Å; R14-L36 PolarHBondContact NH2-O 2.94Å
15I95.3Very high88.3Confident3 Ų365.4 Ų65.42%0.01538%0.381CS..Hα-helixtrans-64.9-44.3178-56.8-173.7000110.8N11 T12 R13 I17 V18 E19 L29 T30 R34 L36 F58N11-I15 WeakPolarHBondContact O-CG1 3.3Å; N11-I15 PolarHBondContact O-N 3.16Å; T12-I15 PolarHBondContact O-N 2.92Å; R13-I15 PolarHBondContact O-N 3.27Å; I15-I17 VanDerWaalsContact C-N 3.3Å; I15-I17 PolarHBondContact O-N 2.97Å; I15-V18 WeakPolarHBondContact O-CA 3.31Å; I15-V18 WeakPolarHBondContact O-CB 3.35Å; I15-V18 PolarHBondContact O-N 3.28Å; I15-E19 PolarHBondContact O-N 3.45Å; I15-L29 HydrophobicContact CG2-CB 3.86Å; I15-T30 WeakPolarHBondContact CG2-OG1 3.47Å; I15-R34 HydrophobicContact CD1-CG 4.28Å; I15-R34 WeakPolarHBondContact CD1-O 3.4Å; I15-L36 HydrophobicContact CG1-CB 4.28Å; I15-F58 HydrophobicContact CB-CE1 4.49Å; I15-F58 HydrophobicContact CD1-CD1 4.37Å; I15-F58 HydrophobicContact CD1-CE1 4.08Å; I15-F58 HydrophobicContact CG1-CE1 3.91Å; I15-F58 HydrophobicContact CG2-CE1 4.07Å
16S94.1Very high89.4Confident44 Ų4462.3 Ų62.331%0.30837%0.369SS..Hα-helixtrans-60.2-37.9177.5-176.80000112.6T12 R13 V18 E19 N20T12-S16 WeakPolarHBondContact O-CB 3.22Å; T12-S16 PolarHBondContact O-N 3Å; R13-S16 PolarHBondContact O-N 3.05Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.88Å; S16-E19 PolarHBondContact O-N 3.37Å; S16-N20 WeakPolarHBondContact O-CB 3.33Å; S16-N20 PolarHBondContact O-N 3.16Å; S16-N20 PolarHBondContact O-ND2 2.95Å; S16-N20 VanDerWaalsContact O-ND2 3.12Å
17I93.8Very high90.7Very high105 Ų10567.9 Ų67.954%0.53839%0.393SS..Hα-helixtrans-59.6-42.8173.4-69.6163.7000111R13 R14 I15 N20 C21R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.32Å; R13-I17 PolarHBondContact O-N 3.32Å; R14-I17 PolarHBondContact O-N 3.47Å; I15-I17 VanDerWaalsContact C-N 3.3Å; I15-I17 PolarHBondContact O-N 2.97Å; I17-N20 PolarHBondContact O-N 2.79Å; I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 VanDerWaalsContact O-N 3.09Å; I17-C21 PolarHBondContact O-SG 3.49Å
18V95.3Very high91.8Very high3 Ų366.3 Ų66.32%0.01839%0.389CS..Hα-helixtrans-63.4-46.4177.2179.20000111R14 I15 S16 N20 C21 F22 L29 L36 F56 F58R14-V18 WeakPolarHBondContact O-CG2 3.21Å; R14-V18 PolarHBondContact O-N 3.44Å; I15-V18 WeakPolarHBondContact O-CA 3.31Å; I15-V18 WeakPolarHBondContact O-CB 3.35Å; I15-V18 PolarHBondContact O-N 3.28Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.88Å; V18-N20 PolarHBondContact O-N 3.15Å; V18-C21 WeakPolarHBondContact O-CB 3.46Å; V18-C21 PolarHBondContact O-N 3.11Å; V18-F22 HydrophobicContact CG1-CD2 4.35Å; V18-F22 HydrophobicContact CG1-CE2 4.05Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.02Å; V18-L29 HydrophobicContact CB-CD1 4.41Å; V18-L29 HydrophobicContact CG1-CD1 3.67Å; V18-L36 HydrophobicContact CG2-CD2 4.08Å; V18-F56 HydrophobicContact CB-CD1 4.41Å; V18-F56 HydrophobicContact CB-CE1 4.26Å; V18-F56 HydrophobicContact CG1-CD1 3.78Å; V18-F56 HydrophobicContact CG1-CD2 3.88Å; V18-F56 HydrophobicContact CG1-CE1 3.74Å; V18-F56 HydrophobicContact CG1-CE2 3.82Å; V18-F56 HydrophobicContact CG1-CG 3.84Å; V18-F56 HydrophobicContact CG1-CZ 3.73Å; V18-F56 HydrophobicContact CG2-CD1 3.65Å; V18-F56 HydrophobicContact CG2-CE1 3.58Å; V18-F56 HydrophobicContact CG2-CG 4.46Å; V18-F56 HydrophobicContact CG2-CZ 4.32Å; V18-F58 HydrophobicContact CG1-CZ 4.49Å
19E94.6Very high92.3Very high39 Ų3964.8 Ų64.818%0.18238%0.379CS..Hα-helixtrans-57.1-48.7176.2-68.6178.1131.900111.6I15 S16 C21 F22 G23 P28 L29 T30I15-E19 PolarHBondContact O-N 3.45Å; S16-E19 PolarHBondContact O-N 3.37Å; E19-C21 PolarHBondContact O-N 3.26Å; E19-F22 PolarHBondContact O-N 3.46Å; E19-G23 PolarHBondContact O-N 3.36Å; E19-P28 VanDerWaalsContact OE1-CA 3.27Å; E19-P28 WeakPolarHBondContact OE1-CA 3.43Å; E19-L29 HydrophobicContact CG-CB 3.78Å; E19-L29 HydrophobicContact CG-CD1 4.34Å; E19-L29 HydrophobicContact CG-CG 4.07Å; E19-L29 PolarHBondContact OE1-N 3.47Å; E19-T30 VanDerWaalsContact CD-OG1 3.24Å; E19-T30 PolarHBondContact OE1-N 3.06Å; E19-T30 PolarHBondContact OE1-OG1 2.98Å; E19-T30 PolarHBondContact OE2-OG1 3.45Å
20N94.3Very high92.6Very high113 Ų11361.2 Ų61.260%0.60437%0.367SS*.Hα-helixtrans-59.8-33.6179.5-71.1-27.8000112.3S16 I17 V18 F22 G23S16-N20 WeakPolarHBondContact O-CB 3.33Å; S16-N20 PolarHBondContact O-N 3.16Å; S16-N20 PolarHBondContact O-ND2 2.95Å; S16-N20 VanDerWaalsContact O-ND2 3.12Å; I17-N20 PolarHBondContact O-N 2.79Å; V18-N20 PolarHBondContact O-N 3.15Å; N20-F22 VanDerWaalsContact C-N 3.29Å; N20-F22 PolarHBondContact O-N 2.94Å; N20-G23 PolarHBondContact O-N 2.95Å
21C95.1Very high92.7Very high14 Ų1462 Ų6210%0.09536%0.362CS..Hα-helixtrans-66.6-28.9175.6-67.70000112.9I17 V18 E19 K73 Y74I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 VanDerWaalsContact O-N 3.09Å; I17-C21 PolarHBondContact O-SG 3.49Å; V18-C21 WeakPolarHBondContact O-CB 3.46Å; V18-C21 PolarHBondContact O-N 3.11Å; E19-C21 PolarHBondContact O-N 3.26Å; C21-K73 CarbonylContact O-C 3.55Å; C21-K73 WeakPolarHBondContact O-CA 3.48Å; C21-Y74 HydrophobicContact CB-CD2 3.32Å; C21-Y74 HydrophobicContact CB-CE2 3.53Å; C21-Y74 HydrophobicContact CB-CG 4.33Å; C21-Y74 PolarHBondContact O-N 3.29Å
22F95.4Very high92.5Very high12 Ų1267.8 Ų67.85%0.05340%0.399CS..Hα-helixtrans-83.3-24.2172.3-73.2-76.8000112.7V18 E19 N20 F56 V63 Y74 Q77V18-F22 HydrophobicContact CG1-CD2 4.35Å; V18-F22 HydrophobicContact CG1-CE2 4.05Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.02Å; E19-F22 PolarHBondContact O-N 3.46Å; N20-F22 VanDerWaalsContact C-N 3.29Å; N20-F22 PolarHBondContact O-N 2.94Å; F22-F56 HydrophobicContact CE2-CD2 4.2Å; F22-F56 AromaticContact CE2-CE2 3.71Å; F22-F56 HydrophobicContact CE2-CE2 3.71Å; F22-F56 HydrophobicContact CZ-CD2 4.45Å; F22-F56 AromaticContact CZ-CE2 3.94Å; F22-F56 HydrophobicContact CZ-CE2 3.94Å; F22-V63 HydrophobicContact CE2-CG1 4.17Å; F22-V63 HydrophobicContact CZ-CG1 4.17Å; F22-Y74 HydrophobicContact CE2-CD2 4.44Å; F22-Y74 HydrophobicContact CZ-CD2 4.49Å; F22-Q77 HydrophobicContact CD1-CB 3.66Å; F22-Q77 HydrophobicContact CD1-CG 3.95Å; F22-Q77 HydrophobicContact CD2-CG 4.3Å; F22-Q77 HydrophobicContact CE1-CB 3.68Å; F22-Q77 HydrophobicContact CE1-CG 3.81Å; F22-Q77 HydrophobicContact CE2-CG 4.19Å; F22-Q77 HydrophobicContact CG-CB 4.27Å; F22-Q77 HydrophobicContact CG-CG 4.19Å; F22-Q77 HydrophobicContact CZ-CB 4.33Å; F22-Q77 HydrophobicContact CZ-CG 3.94Å
23G90.5Very high92.4Very high39 Ų3966.1 Ų66.140%0.40240%0.396SS..G310 helixtrans63.4-159.7179.500000112.7E19 N20 A25 G26E19-G23 PolarHBondContact O-N 3.36Å; N20-G23 PolarHBondContact O-N 2.95Å; G23-A25 PolarHBondContact O-N 3.45Å; G23-G26 PolarHBondContact O-N 2.71Å
24A87.5Confident92.5Very high117 Ų11759.4 Ų59.497%0.96737%0.37SS*.G310 helixtrans-62.1-13.8-175.900000115.2
25A85.4Confident92.5Very high97 Ų9754.8 Ų54.880%0.80235%0.353SS*.G310 helixtrans-86-9.8175.800000113.2G23G23-A25 PolarHBondContact O-N 3.45Å
26G89.4Confident92.6Very high17 Ų1754.8 Ų54.818%0.17535%0.353CS..SBendtrans-87.9158.1175.600000112.6G23G23-G26 PolarHBondContact O-N 2.71Å
27Q93.2Very high92.7Very high128 Ų12854.8 Ų54.860%0.59835%0.349SS*.PPolyproline II helixtrans-84.9146.3165.8-63.1-64-41.400110.1L29 Q77 I79Q27-L29 PolarHBondContact O-N 2.9Å; Q27-Q77 PolarHBondContact O-NE2 3.08Å; Q27-Q77 VanDerWaalsContact O-NE2 3.14Å; Q27-I79 HydrophobicContact CB-CD1 3.85Å; Q27-I79 HydrophobicContact CG-CD1 4.47Å
28P93.7Very high92.8Very high95 Ų9550.7 Ų50.762%0.61733%0.333SS*.PPolyproline II helixtrans-57.4134.8172.5-23.634000112.2E19E19-P28 VanDerWaalsContact OE1-CA 3.27Å; E19-P28 WeakPolarHBondContact OE1-CA 3.43Å
29L94.4Very high92.9Very high0 Ų055.9 Ų55.90%036%0.357CS..  trans-107.5-18.2174.7-56.6178.8000111.9I15 V18 E19 Q27 I31 R34 F58 I61 V63 I79I15-L29 HydrophobicContact CG2-CB 3.86Å; V18-L29 HydrophobicContact CB-CD1 4.41Å; V18-L29 HydrophobicContact CG1-CD1 3.67Å; E19-L29 HydrophobicContact CG-CB 3.78Å; E19-L29 HydrophobicContact CG-CD1 4.34Å; E19-L29 HydrophobicContact CG-CG 4.07Å; E19-L29 PolarHBondContact OE1-N 3.47Å; Q27-L29 PolarHBondContact O-N 2.9Å; L29-I31 PolarHBondContact O-N 3.41Å; L29-R34 WeakPolarHBondContact O-CD 3.21Å; L29-R34 PolarHBondContact O-NH1 3.35Å; L29-F58 HydrophobicContact CB-CZ 4.35Å; L29-F58 HydrophobicContact CD1-CE2 4.12Å; L29-F58 HydrophobicContact CD1-CZ 3.86Å; L29-I61 HydrophobicContact CD2-CD1 3.95Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; L29-I79 HydrophobicContact CD2-CD1 3.72Å; L29-I79 HydrophobicContact CD2-CG1 4.29Å
30T91.8Very high93Very high61 Ų6154.9 Ų54.937%0.37436%0.357SS..  trans-76107.2-179.9-60.80000110.4I15 E19I15-T30 WeakPolarHBondContact CG2-OG1 3.47Å; E19-T30 VanDerWaalsContact CD-OG1 3.24Å; E19-T30 PolarHBondContact OE1-N 3.06Å; E19-T30 PolarHBondContact OE1-OG1 2.98Å; E19-T30 PolarHBondContact OE2-OG1 3.45Å
31I90.7Very high93.1Very high78 Ų7852.1 Ų52.140%0.434%0.344SS..  trans-135.2153.6170.767.8168.3000110.2L29 G33 R34L29-I31 PolarHBondContact O-N 3.41Å; I31-G33 PolarHBondContact O-N 3.49Å; I31-R34 HydrophobicContact CD1-CB 4.31Å; I31-R34 HydrophobicContact CG1-CB 3.55Å; I31-R34 HydrophobicContact CG1-CG 4.47Å; I31-R34 VanDerWaalsContact CG1-CZ 3.49Å; I31-R34 PolarHBondContact O-N 2.91Å
32P88.9Confident93.3Very high125 Ų12551.6 Ų51.681%0.81234%0.34SS*.THydrogen-bonded Turntrans-55.8136.5175.2-25.535.2000112.1R34P32-R34 VanDerWaalsContact C-N 3.26Å; P32-R34 PolarHBondContact O-N 3.38Å
33G89.8Confident93.3Very high34 Ų3453.6 Ų53.635%0.35135%0.354SS..THydrogen-bonded Turntrans81.3-8.8177.600000115.8I31 N59I31-G33 PolarHBondContact O-N 3.49Å; G33-N59 PolarHBondContact O-ND2 3.4Å
34R94.4Very high93.6Very high24 Ų2452.2 Ų52.29%0.09134%0.337CS..  trans-80.6132.9177.3-177.9174.3-70.6151.6-2.4111.5N11 I15 L29 I31 P32 F58 N59 D60 I61N11-R34 PolarHBondContact ND2-O 2.95Å; I15-R34 HydrophobicContact CD1-CG 4.28Å; I15-R34 WeakPolarHBondContact CD1-O 3.4Å; L29-R34 WeakPolarHBondContact O-CD 3.21Å; L29-R34 PolarHBondContact O-NH1 3.35Å; I31-R34 HydrophobicContact CD1-CB 4.31Å; I31-R34 HydrophobicContact CG1-CB 3.55Å; I31-R34 HydrophobicContact CG1-CG 4.47Å; I31-R34 VanDerWaalsContact CG1-CZ 3.49Å; I31-R34 PolarHBondContact O-N 2.91Å; P32-R34 VanDerWaalsContact C-N 3.26Å; P32-R34 PolarHBondContact O-N 3.38Å; R34-F58 HydrophobicContact CG-CB 3.94Å; R34-F58 HydrophobicContact CG-CD1 3.56Å; R34-F58 HydrophobicContact CG-CE1 4.4Å; R34-F58 HydrophobicContact CG-CG 4.06Å; R34-N59 WeakPolarHBondContact CA-OD1 3.49Å; R34-D60 WeakPolarHBondContact CD-OD1 3.43Å; R34-D60 WeakPolarHBondContact CG-OD1 3.15Å; R34-D60 IonicContact CZ-OD1 3.23Å; R34-D60 IonicContact CZ-OD2 3.87Å; R34-D60 VanDerWaalsContact CZ-OD2 3.26Å; R34-D60 VanDerWaalsContact NE-CG 3.31Å; R34-D60 IonicContact NE-OD1 3.05Å; R34-D60 PolarHBondContact NE-OD1 2.91Å; R34-D60 IonicContact NE-OD2 2.73Å; R34-D60 PolarHBondContact NE-OD2 3.36Å; R34-D60 IonicContact NH2-OD1 3.41Å; R34-D60 IonicContact NH2-OD2 2.85Å; R34-D60 PolarHBondContact NH2-OD2 2.96Å; R34-I61 VanDerWaalsContact CZ-CD1 3.43Å
35V95.4Very high93.8Very high2 Ų248 Ų481%0.01230%0.298CS..  trans-122.3132.6-180178.30000110.4V2 L5 A6 N11 I37 F58 N59V2-V35 HydrophobicContact CG1-CB 4.03Å; V2-V35 HydrophobicContact CG1-CG1 4.41Å; V2-V35 HydrophobicContact CG1-CG2 3.71Å; L5-V35 HydrophobicContact CB-CG1 4.37Å; A6-V35 HydrophobicContact CB-CG2 3.64Å; N11-V35 WeakPolarHBondContact OD1-CA 3.46Å; V35-I37 HydrophobicContact CB-CD1 4.15Å; V35-I37 HydrophobicContact CG1-CD1 3.74Å; V35-I37 PolarHBondContact O-N 3.44Å; V35-F58 CarbonylContact O-C 3.56Å; V35-F58 WeakPolarHBondContact O-CA 3.47Å; V35-N59 PolarHBondContact N-OD1 3.3Å; V35-N59 PolarHBondContact O-N 2.81Å; V35-N59 VanDerWaalsContact O-N 3.08Å
36L96.6Very high93.9Very high4 Ų445.1 Ų45.12%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-78.2108.8167.9-177.865.9000110.1N11 R14 I15 V18 F56 F58N11-L36 PolarHBondContact OD1-N 3.48Å; N11-L36 VanDerWaalsContact OD1-N 3.08Å; R14-L36 HydrophobicContact CB-CD2 4.08Å; R14-L36 PolarHBondContact NH1-O 3.42Å; R14-L36 VanDerWaalsContact NH1-O 3.12Å; R14-L36 PolarHBondContact NH2-O 2.94Å; I15-L36 HydrophobicContact CG1-CB 4.28Å; V18-L36 HydrophobicContact CG2-CD2 4.08Å; L36-F56 HydrophobicContact CD1-CB 4.08Å; L36-F56 HydrophobicContact CD1-CD1 4.43Å; L36-F58 HydrophobicContact CB-CD1 4.19Å; L36-F58 HydrophobicContact CB-CE1 4.02Å; L36-F58 HydrophobicContact CD1-CD1 4.17Å; L36-F58 HydrophobicContact CD1-CE1 3.85Å; L36-F58 HydrophobicContact CD1-CE2 4.18Å; L36-F58 HydrophobicContact CD1-CZ 3.85Å
37I96.6Very high93.8Very high44 Ų4450.7 Ų50.723%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-85.3-44.8-176.8-55.3-63.6000111V2 V35 L57 N59 H125V2-I37 HydrophobicContact CG2-CD1 4.44Å; V35-I37 HydrophobicContact CB-CD1 4.15Å; V35-I37 HydrophobicContact CG1-CD1 3.74Å; V35-I37 PolarHBondContact O-N 3.44Å; I37-L57 HydrophobicContact CB-CB 4.46Å; I37-L57 HydrophobicContact CB-CD2 4.27Å; I37-L57 HydrophobicContact CB-CG 4.16Å; I37-L57 WeakPolarHBondContact CB-O 3.45Å; I37-L57 HydrophobicContact CG2-CD2 4.12Å; I37-L57 PolarHBondContact N-O 3.08Å; I37-N59 HydrophobicContact CD1-CB 4.35Å; I37-N59 HydrophobicContact CG1-CB 4.37Å; I37-H125 HydrophobicContact CG2-CB 4.12Å
38G95.3Very high93.4Very high18 Ų1852 Ų5219%0.18629%0.291CS..EExtended strand (participates in β ladder)trans-159.3158.4-177.600000112.9F56 L57G38-F56 CarbonylContact O-C 3.56Å; G38-F56 WeakPolarHBondContact O-CA 3.42Å; G38-L57 PolarHBondContact N-O 2.86Å; G38-L57 PolarHBondContact O-N 3.3Å
39E96.9Very high93.2Very high112 Ų11253.6 Ų53.652%0.52329%0.288SS..EExtended strand (participates in β ladder)trans-143.815017467.4177.8168.200110.2F55 F56E39-F55 VanDerWaalsContact CA-O 3.31Å; E39-F55 WeakPolarHBondContact CA-O 3.38Å; E39-F56 HydrophobicContact CB-CD1 3.62Å; E39-F56 HydrophobicContact CB-CE1 4.03Å; E39-F56 VanDerWaalsContact OE2-CE1 3.26Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.36Å
40G96.9Very high93.1Very high19 Ų1957 Ų5720%0.19631%0.31CS..EExtended strand (participates in β ladder)trans179.5163.4-177.400000113Q54 F55G40-Q54 VanDerWaalsContact N-NE2 3.19Å; G40-Q54 PolarHBondContact O-NE2 3.1Å; G40-F55 PolarHBondContact N-O 2.95Å; G40-F55 PolarHBondContact O-N 3.44Å
41V97.8Very high93.2Very high55 Ų5558 Ų5833%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-92.8122.1173.91790000108.5A52 R53 I67V41-A52 HydrophobicContact CG1-CB 3.83Å; V41-R53 WeakPolarHBondContact CA-O 3.29Å; V41-I67 HydrophobicContact CG1-CD1 3.89Å; V41-I67 HydrophobicContact CG2-CD1 3.85Å
42L97.9Very high93.5Very high2 Ų256.7 Ų56.71%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-116.8148.1172.8-55.7175000110.3K44 R53 F55 W100 V111 A113 W122L42-K44 PolarHBondContact O-N 2.91Å; L42-R53 PolarHBondContact N-O 3.24Å; L42-R53 PolarHBondContact O-N 3.02Å; L42-F55 HydrophobicContact CB-CD2 3.64Å; L42-F55 HydrophobicContact CB-CE2 3.68Å; L42-F55 HydrophobicContact CD1-CB 4.29Å; L42-F55 HydrophobicContact CD1-CD1 4.39Å; L42-F55 HydrophobicContact CD1-CD2 3.81Å; L42-F55 HydrophobicContact CD1-CE2 4.18Å; L42-F55 HydrophobicContact CD1-CG 3.92Å; L42-F55 HydrophobicContact CG-CD2 3.86Å; L42-F55 HydrophobicContact CG-CE2 4.33Å; L42-F55 HydrophobicContact CG-CG 4.36Å; L42-W100 HydrophobicContact CD1-CH2 3.65Å; L42-W100 HydrophobicContact CD1-CZ2 3.61Å; L42-W100 HydrophobicContact CD2-CH2 3.71Å; L42-W100 HydrophobicContact CG-CH2 4.31Å; L42-V111 HydrophobicContact CB-CB 4.35Å; L42-V111 HydrophobicContact CD1-CB 4.36Å; L42-V111 HydrophobicContact CD1-CG2 4.29Å; L42-A113 HydrophobicContact CD2-CB 3.98Å; L42-W122 HydrophobicContact CD1-CD2 4.29Å
43T96.7Very high93.9Very high55 Ų5552.3 Ų52.334%0.33728%0.277SS..EExtended strand (participates in β ladder)trans-84.7107.8173.4-670000109.2P50 V111 Y112T43-P50 HydrophobicContact CG2-CB 3.56Å; T43-V111 CarbonylContact O-C 3.5Å; T43-V111 VanDerWaalsContact O-CA 3.29Å; T43-V111 WeakPolarHBondContact O-CA 3.48Å; T43-Y112 PolarHBondContact N-O 3.19Å; T43-Y112 PolarHBondContact O-N 3.4Å
44K95.4Very high94.3Very high9 Ų951.1 Ų51.14%0.03926%0.263CS..EExtended strand (participates in β ladder)trans-88.8121178-173.8-172.8-178.3-49.20110.3L42 C46 K51 R53 Y64 F109 V111L42-K44 PolarHBondContact O-N 2.91Å; K44-C46 PolarHBondContact O-N 3.28Å; K44-K51 PolarHBondContact N-O 2.91Å; K44-K51 PolarHBondContact O-N 3.35Å; K44-R53 HydrophobicContact CB-CG 3.99Å; K44-R53 HydrophobicContact CD-CG 4.37Å; K44-Y64 HydrophobicContact CD-CE2 4.15Å; K44-F109 HydrophobicContact CD-CD2 3.99Å; K44-F109 HydrophobicContact CD-CE2 4.2Å; K44-F109 HydrophobicContact CD-CG 4.42Å; K44-F109 HydrophobicContact CG-CD2 3.8Å; K44-F109 HydrophobicContact CG-CE2 4.3Å; K44-F109 HydrophobicContact CG-CG 4.44Å; K44-F109 VanDerWaalsContact NZ-CB 3.26Å; K44-V111 HydrophobicContact CB-CG1 4.31Å; K44-V111 HydrophobicContact CG-CG1 4.28Å
45L92.3Very high94.5Very high30 Ų3050 Ų5016%0.15726%0.258CS..  trans-67.7126.3168.9-71.5-174.8000109.8P50 L96 A110 Y112L45-P50 HydrophobicContact CD2-CB 3.93Å; L45-P50 HydrophobicContact CD2-CG 3.67Å; L45-L96 HydrophobicContact CD1-CD1 4.44Å; L45-A110 HydrophobicContact CB-CB 4.23Å; L45-A110 HydrophobicContact CD1-CB 4.07Å; L45-A110 HydrophobicContact CG-CB 4.38Å; L45-A110 PolarHBondContact N-O 3.19Å; L45-Y112 HydrophobicContact CD1-CD2 4.34Å; L45-Y112 HydrophobicContact CD1-CE2 3.34Å; L45-Y112 HydrophobicContact CD2-CE2 4.38Å; L45-Y112 HydrophobicContact CG-CD2 4.02Å; L45-Y112 HydrophobicContact CG-CE2 3.49Å; L45-Y112 VanDerWaalsContact CG-CE2 3.49Å
46C88.6Confident94.6Very high36 Ų3650 Ų5024%0.24326%0.258CS..  trans-123.5158.4175.8-59.20000108K44 K48 K49K44-C46 PolarHBondContact O-N 3.28Å; C46-K48 PolarHBondContact O-N 3.22Å; C46-K49 WeakPolarHBondContact CB-O 3.46Å; C46-K49 PolarHBondContact O-N 2.81Å
47R85.6Confident94.7Very high134 Ų13449.8 Ų49.851%0.50626%0.257SS..SBendtrans-43.5-38-17867.9178.8-177.2-161.60.3115.6W149 D152R47-W149 HydrophobicContact CB-CE3 4.48Å; R47-D152 WeakPolarHBondContact O-CB 3.41Å; R47-D152 PolarHBondContact O-N 3.01Å
48K86.1Confident94.8Very high154 Ų15447.7 Ų47.767%0.6725%0.247SC*.SBendtrans-98-46.9-175.7-65.3-161.7174.7-169.90114.2C46C46-K48 PolarHBondContact O-N 3.22Å
49K88.6Confident94.8Very high130 Ų13048.4 Ų48.457%0.56525%0.246SC*.SBendtrans-155.2148.4-174.164.9177.8-177176.10110.9C46 K51C46-K49 WeakPolarHBondContact CB-O 3.46Å; C46-K49 PolarHBondContact O-N 2.81Å; K49-K51 HydrophobicContact CG-CG 4.12Å
50P92.3Very high94.8Very high71 Ų7144.8 Ų44.846%0.46123%0.23SC..  trans-55141.8166-1828.6000110.2T43 L45T43-P50 HydrophobicContact CG2-CB 3.56Å; L45-P50 HydrophobicContact CD2-CB 3.93Å; L45-P50 HydrophobicContact CD2-CG 3.67Å
51K95Very high94.8Very high82 Ų8244.2 Ų44.236%0.35722%0.223SC..EExtended strand (participates in β ladder)trans-140.5131.4175.4-56.2-172.6174.8-171.90111.6K44 K49 R53K44-K51 PolarHBondContact N-O 2.91Å; K44-K51 PolarHBondContact O-N 3.35Å; K49-K51 HydrophobicContact CG-CG 4.12Å; K51-R53 VanDerWaalsContact CD-NH2 3.31Å; K51-R53 PolarHBondContact O-N 3.12Å
52A96.8Very high94.8Very high50 Ų5041.7 Ų41.741%0.41321%0.207SC..EExtended strand (participates in β ladder)trans-60.5132.8169.100000110.9V41 I67V41-A52 HydrophobicContact CG1-CB 3.83Å; A52-I67 HydrophobicContact CB-CD1 4.3Å
53R97.6Very high94.8Very high33 Ų3341.6 Ų41.613%0.12521%0.207CC..EExtended strand (participates in β ladder)trans-135.3142.1176.6-67-68.9177.3-94.214.2108.2V41 L42 K44 K51 F55 Y64 G65 N66V41-R53 WeakPolarHBondContact CA-O 3.29Å; L42-R53 PolarHBondContact N-O 3.24Å; L42-R53 PolarHBondContact O-N 3.02Å; K44-R53 HydrophobicContact CB-CG 3.99Å; K44-R53 HydrophobicContact CD-CG 4.37Å; K51-R53 VanDerWaalsContact CD-NH2 3.31Å; K51-R53 PolarHBondContact O-N 3.12Å; R53-F55 HydrophobicContact CB-CD2 4.04Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 4.35Å; R53-F55 HydrophobicContact CG-CE2 4.49Å; R53-F55 WeakPolarHBondContact O-CD2 3.23Å; R53-Y64 HydrophobicContact CG-CD2 4.49Å; R53-G65 WeakPolarHBondContact CA-O 3.5Å; R53-G65 WeakPolarHBondContact CD-O 3.39Å; R53-N66 PolarHBondContact NE-OD1 2.85Å; R53-N66 PolarHBondContact NH2-OD1 2.87Å
54Q97.9Very high94.9Very high9 Ų939.2 Ų39.24%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-79.3127.4168.9-176.769.242.700107.8G40 F56 Y64 G65 I67 Y74G40-Q54 VanDerWaalsContact N-NE2 3.19Å; G40-Q54 PolarHBondContact O-NE2 3.1Å; Q54-F56 HydrophobicContact CB-CE2 4.25Å; Q54-F56 HydrophobicContact CB-CZ 4.44Å; Q54-F56 HydrophobicContact CG-CD2 4.21Å; Q54-F56 HydrophobicContact CG-CE1 3.95Å; Q54-F56 HydrophobicContact CG-CE2 3.38Å; Q54-F56 HydrophobicContact CG-CZ 3.23Å; Q54-Y64 CarbonylContact O-C 3.52Å; Q54-Y64 WeakPolarHBondContact O-CA 3.38Å; Q54-Y64 WeakPolarHBondContact O-CB 3.28Å; Q54-G65 PolarHBondContact N-O 3.28Å; Q54-G65 PolarHBondContact O-N 2.98Å; Q54-I67 HydrophobicContact CB-CD1 4.47Å; Q54-I67 HydrophobicContact CB-CG1 4.02Å; Q54-Y74 HydrophobicContact CB-CD1 4.01Å; Q54-Y74 HydrophobicContact CB-CE1 3.68Å; Q54-Y74 HydrophobicContact CB-CE2 4.49Å; Q54-Y74 HydrophobicContact CG-CD1 4.48Å; Q54-Y74 HydrophobicContact CG-CD2 4.48Å; Q54-Y74 HydrophobicContact CG-CE1 3.9Å; Q54-Y74 HydrophobicContact CG-CE2 3.96Å; Q54-Y74 PolarHBondContact OE1-OH 2.92Å
55F98.4Very high94.9Very high1 Ų138.8 Ų38.80%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-112.4147.8173.1-75-100.5000110.1E39 G40 L42 R53 L62 V63 Y64 I102 F109 V111 W122E39-F55 VanDerWaalsContact CA-O 3.31Å; E39-F55 WeakPolarHBondContact CA-O 3.38Å; G40-F55 PolarHBondContact N-O 2.95Å; G40-F55 PolarHBondContact O-N 3.44Å; L42-F55 HydrophobicContact CB-CD2 3.64Å; L42-F55 HydrophobicContact CB-CE2 3.68Å; L42-F55 HydrophobicContact CD1-CB 4.29Å; L42-F55 HydrophobicContact CD1-CD1 4.39Å; L42-F55 HydrophobicContact CD1-CD2 3.81Å; L42-F55 HydrophobicContact CD1-CE2 4.18Å; L42-F55 HydrophobicContact CD1-CG 3.92Å; L42-F55 HydrophobicContact CG-CD2 3.86Å; L42-F55 HydrophobicContact CG-CE2 4.33Å; L42-F55 HydrophobicContact CG-CG 4.36Å; R53-F55 HydrophobicContact CB-CD2 4.04Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 4.35Å; R53-F55 HydrophobicContact CG-CE2 4.49Å; R53-F55 WeakPolarHBondContact O-CD2 3.23Å; F55-L62 HydrophobicContact CD1-CD1 4.2Å; F55-L62 HydrophobicContact CD1-CD2 4.41Å; F55-L62 HydrophobicContact CD1-CG 4.41Å; F55-V63 CarbonylContact C-O 3.52Å; F55-V63 WeakPolarHBondContact CA-O 3.45Å; F55-Y64 VanDerWaalsContact CD1-CB 3.46Å; F55-Y64 HydrophobicContact CD1-CD1 4.47Å; F55-Y64 HydrophobicContact CD1-CG 4.18Å; F55-Y64 AromaticContact CE1-CD1 3.94Å; F55-Y64 HydrophobicContact CE1-CD1 3.94Å; F55-Y64 HydrophobicContact CE1-CD2 4.43Å; F55-Y64 AromaticContact CE1-CG 3.72Å; F55-Y64 HydrophobicContact CE1-CG 3.72Å; F55-Y64 HydrophobicContact CZ-CD2 4.31Å; F55-Y64 HydrophobicContact CZ-CG 4.04Å; F55-I102 HydrophobicContact CE1-CD1 4.45Å; F55-F109 HydrophobicContact CE1-CE2 4.11Å; F55-F109 HydrophobicContact CE1-CZ 4.41Å; F55-F109 HydrophobicContact CZ-CE2 4.06Å; F55-V111 HydrophobicContact CE1-CG1 4.38Å; F55-V111 HydrophobicContact CE2-CG1 4.24Å; F55-V111 HydrophobicContact CZ-CG1 3.7Å; F55-W122 HydrophobicContact CB-CH2 3.69Å; F55-W122 HydrophobicContact CB-CZ2 4.2Å; F55-W122 HydrophobicContact CB-CZ3 4.24Å
56F98.3Very high95.1Very high1 Ų138.7 Ų38.70%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-135.1121.4174.3-53-87.3000107.9V18 F22 L36 G38 E39 Q54 F58 V63 Y74V18-F56 HydrophobicContact CB-CD1 4.41Å; V18-F56 HydrophobicContact CB-CE1 4.26Å; V18-F56 HydrophobicContact CG1-CD1 3.78Å; V18-F56 HydrophobicContact CG1-CD2 3.88Å; V18-F56 HydrophobicContact CG1-CE1 3.74Å; V18-F56 HydrophobicContact CG1-CE2 3.82Å; V18-F56 HydrophobicContact CG1-CG 3.84Å; V18-F56 HydrophobicContact CG1-CZ 3.73Å; V18-F56 HydrophobicContact CG2-CD1 3.65Å; V18-F56 HydrophobicContact CG2-CE1 3.58Å; V18-F56 HydrophobicContact CG2-CG 4.46Å; V18-F56 HydrophobicContact CG2-CZ 4.32Å; F22-F56 HydrophobicContact CE2-CD2 4.2Å; F22-F56 AromaticContact CE2-CE2 3.71Å; F22-F56 HydrophobicContact CE2-CE2 3.71Å; F22-F56 HydrophobicContact CZ-CD2 4.45Å; F22-F56 AromaticContact CZ-CE2 3.94Å; F22-F56 HydrophobicContact CZ-CE2 3.94Å; L36-F56 HydrophobicContact CD1-CB 4.08Å; L36-F56 HydrophobicContact CD1-CD1 4.43Å; G38-F56 CarbonylContact O-C 3.56Å; G38-F56 WeakPolarHBondContact O-CA 3.42Å; E39-F56 HydrophobicContact CB-CD1 3.62Å; E39-F56 HydrophobicContact CB-CE1 4.03Å; E39-F56 VanDerWaalsContact OE2-CE1 3.26Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.36Å; Q54-F56 HydrophobicContact CB-CE2 4.25Å; Q54-F56 HydrophobicContact CB-CZ 4.44Å; Q54-F56 HydrophobicContact CG-CD2 4.21Å; Q54-F56 HydrophobicContact CG-CE1 3.95Å; Q54-F56 HydrophobicContact CG-CE2 3.38Å; Q54-F56 HydrophobicContact CG-CZ 3.23Å; F56-F58 HydrophobicContact CB-CD2 4.4Å; F56-F58 HydrophobicContact CB-CE2 3.74Å; F56-F58 HydrophobicContact CB-CZ 4.4Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.46Å; F56-V63 HydrophobicContact CD2-CG1 4.45Å; F56-V63 PolarHBondContact N-O 3.1Å; F56-V63 PolarHBondContact O-N 3Å; F56-Y74 HydrophobicContact CE2-CD2 4.19Å; F56-Y74 HydrophobicContact CE2-CE2 4.27Å; F56-Y74 AromaticContact CZ-CD2 3.93Å; F56-Y74 HydrophobicContact CZ-CD2 3.93Å; F56-Y74 AromaticContact CZ-CE2 3.59Å; F56-Y74 HydrophobicContact CZ-CE2 3.59Å
57L98.4Very high95.5Very high1 Ų139.5 Ų39.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-96.2119.4173.4-177.361.5000109.1I37 G38 L62 L82 W122 H125 I126I37-L57 HydrophobicContact CB-CB 4.46Å; I37-L57 HydrophobicContact CB-CD2 4.27Å; I37-L57 HydrophobicContact CB-CG 4.16Å; I37-L57 WeakPolarHBondContact CB-O 3.45Å; I37-L57 HydrophobicContact CG2-CD2 4.12Å; I37-L57 PolarHBondContact N-O 3.08Å; G38-L57 PolarHBondContact N-O 2.86Å; G38-L57 PolarHBondContact O-N 3.3Å; L57-L62 HydrophobicContact CD1-CD1 4.17Å; L57-L82 HydrophobicContact CD1-CD1 3.87Å; L57-L82 HydrophobicContact CD1-CD2 4.07Å; L57-W122 HydrophobicContact CB-CE3 4.41Å; L57-W122 HydrophobicContact CB-CH2 4.15Å; L57-W122 HydrophobicContact CB-CZ3 3.64Å; L57-H125 HydrophobicContact CD2-CB 3.44Å; L57-H125 VanDerWaalsContact CD2-CB 3.44Å; L57-I126 HydrophobicContact CD1-CG1 3.95Å; L57-I126 HydrophobicContact CD2-CG1 4.04Å
58F97.9Very high95.9Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-101.6168.8165-59.5-95.9000109.7I15 V18 L29 R34 V35 L36 F56 D60 I61 V63 L82I15-F58 HydrophobicContact CB-CE1 4.49Å; I15-F58 HydrophobicContact CD1-CD1 4.37Å; I15-F58 HydrophobicContact CD1-CE1 4.08Å; I15-F58 HydrophobicContact CG1-CE1 3.91Å; I15-F58 HydrophobicContact CG2-CE1 4.07Å; V18-F58 HydrophobicContact CG1-CZ 4.49Å; L29-F58 HydrophobicContact CB-CZ 4.35Å; L29-F58 HydrophobicContact CD1-CE2 4.12Å; L29-F58 HydrophobicContact CD1-CZ 3.86Å; R34-F58 HydrophobicContact CG-CB 3.94Å; R34-F58 HydrophobicContact CG-CD1 3.56Å; R34-F58 HydrophobicContact CG-CE1 4.4Å; R34-F58 HydrophobicContact CG-CG 4.06Å; V35-F58 CarbonylContact O-C 3.56Å; V35-F58 WeakPolarHBondContact O-CA 3.47Å; L36-F58 HydrophobicContact CB-CD1 4.19Å; L36-F58 HydrophobicContact CB-CE1 4.02Å; L36-F58 HydrophobicContact CD1-CD1 4.17Å; L36-F58 HydrophobicContact CD1-CE1 3.85Å; L36-F58 HydrophobicContact CD1-CE2 4.18Å; L36-F58 HydrophobicContact CD1-CZ 3.85Å; F56-F58 HydrophobicContact CB-CD2 4.4Å; F56-F58 HydrophobicContact CB-CE2 3.74Å; F56-F58 HydrophobicContact CB-CZ 4.4Å; F58-D60 PolarHBondContact O-N 3.08Å; F58-I61 WeakPolarHBondContact CA-O 3.43Å; F58-I61 HydrophobicContact CB-CG1 3.73Å; F58-I61 WeakPolarHBondContact CB-O 3.45Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.71Å; F58-I61 HydrophobicContact CG-CD1 4.45Å; F58-I61 HydrophobicContact CG-CG1 3.92Å; F58-I61 PolarHBondContact N-O 3.04Å; F58-V63 HydrophobicContact CD2-CG2 3.9Å; F58-V63 HydrophobicContact CE2-CB 4.18Å; F58-V63 HydrophobicContact CE2-CG2 3.69Å; F58-L82 VanDerWaalsContact O-CD1 3.25Å; F58-L82 WeakPolarHBondContact O-CD1 3.45Å
59N95.8Very high96.2Very high32 Ų3233.4 Ų33.417%0.17118%0.177CC..SBendtrans-67-17.4177.162.6-33.4000114.2V2 G33 R34 V35 I37 L133V2-N59 HydrophobicContact CG1-CB 4.37Å; G33-N59 PolarHBondContact O-ND2 3.4Å; R34-N59 WeakPolarHBondContact CA-OD1 3.49Å; V35-N59 PolarHBondContact N-OD1 3.3Å; V35-N59 PolarHBondContact O-N 2.81Å; V35-N59 VanDerWaalsContact O-N 3.08Å; I37-N59 HydrophobicContact CD1-CB 4.35Å; I37-N59 HydrophobicContact CG1-CB 4.37Å; N59-L133 WeakPolarHBondContact O-CD1 3.35Å; N59-L133 WeakPolarHBondContact O-CG 3.25Å
60D95.8Very high96.2Very high36 Ų3633.2 Ų33.219%0.19318%0.178CC..SBendtrans-123.3-23.5-177.167.5-35.6000114.1R34 F58 L82 L133R34-D60 WeakPolarHBondContact CD-OD1 3.43Å; R34-D60 WeakPolarHBondContact CG-OD1 3.15Å; R34-D60 IonicContact CZ-OD1 3.23Å; R34-D60 IonicContact CZ-OD2 3.87Å; R34-D60 VanDerWaalsContact CZ-OD2 3.26Å; R34-D60 VanDerWaalsContact NE-CG 3.31Å; R34-D60 IonicContact NE-OD1 3.05Å; R34-D60 PolarHBondContact NE-OD1 2.91Å; R34-D60 IonicContact NE-OD2 2.73Å; R34-D60 PolarHBondContact NE-OD2 3.36Å; R34-D60 IonicContact NH2-OD1 3.41Å; R34-D60 IonicContact NH2-OD2 2.85Å; R34-D60 PolarHBondContact NH2-OD2 2.96Å; F58-D60 PolarHBondContact O-N 3.08Å; D60-L82 WeakPolarHBondContact O-CB 3.46Å; D60-L82 PolarHBondContact O-N 3.29Å; D60-L133 HydrophobicContact CB-CD2 4.18Å
61I97.4Very high95.9Very high8 Ų837.8 Ų37.84%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-135.9150.5-177.261.6173.6000112.4L29 R34 F58 V63 I79 I80L29-I61 HydrophobicContact CD2-CD1 3.95Å; R34-I61 VanDerWaalsContact CZ-CD1 3.43Å; F58-I61 WeakPolarHBondContact CA-O 3.43Å; F58-I61 HydrophobicContact CB-CG1 3.73Å; F58-I61 WeakPolarHBondContact CB-O 3.45Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.71Å; F58-I61 HydrophobicContact CG-CD1 4.45Å; F58-I61 HydrophobicContact CG-CG1 3.92Å; F58-I61 PolarHBondContact N-O 3.04Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 4.02Å; I61-I79 HydrophobicContact CB-CG2 4.12Å; I61-I79 HydrophobicContact CD1-CG2 3.88Å; I61-I79 HydrophobicContact CG2-CG2 4.07Å; I61-I80 CarbonylContact C-O 3.5Å; I61-I80 VanDerWaalsContact CA-O 3.3Å; I61-I80 WeakPolarHBondContact CA-O 3.1Å
62L98.1Very high95.7Very high1 Ų141.7 Ų41.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-104.4126.1163.5-17969.1000109F55 L57 I80 L82 I102 W122F55-L62 HydrophobicContact CD1-CD1 4.2Å; F55-L62 HydrophobicContact CD1-CD2 4.41Å; F55-L62 HydrophobicContact CD1-CG 4.41Å; L57-L62 HydrophobicContact CD1-CD1 4.17Å; L62-I80 HydrophobicContact CB-CB 4.4Å; L62-I80 PolarHBondContact N-O 3.12Å; L62-I80 PolarHBondContact O-N 3.48Å; L62-L82 HydrophobicContact CB-CD2 3.88Å; L62-I102 HydrophobicContact CD2-CD1 3.88Å; L62-I102 HydrophobicContact CD2-CG2 4.31Å; L62-W122 HydrophobicContact CD1-CZ3 4.04Å
63V98Very high95.6Very high0 Ų044.9 Ų44.90%021%0.212CC..EExtended strand (participates in β ladder)trans-116138.3179.1-174.50000110.1F22 L29 F55 F56 F58 I61 Q77 H78 I79F22-V63 HydrophobicContact CE2-CG1 4.17Å; F22-V63 HydrophobicContact CZ-CG1 4.17Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; F55-V63 CarbonylContact C-O 3.52Å; F55-V63 WeakPolarHBondContact CA-O 3.45Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.46Å; F56-V63 HydrophobicContact CD2-CG1 4.45Å; F56-V63 PolarHBondContact N-O 3.1Å; F56-V63 PolarHBondContact O-N 3Å; F58-V63 HydrophobicContact CD2-CG2 3.9Å; F58-V63 HydrophobicContact CE2-CB 4.18Å; F58-V63 HydrophobicContact CE2-CG2 3.69Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 4.02Å; V63-Q77 HydrophobicContact CG1-CG 3.78Å; V63-H78 CarbonylContact C-O 3.54Å; V63-H78 VanDerWaalsContact CA-O 3.24Å; V63-H78 WeakPolarHBondContact CA-O 3.44Å; V63-I79 HydrophobicContact CG1-CG1 4.34Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.49Å
64Y97.8Very high95.6Very high6 Ų643.7 Ų43.72%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-144.9158.2169.973.6-84.3000113.4K44 R53 Q54 F55 H78 I80 F109K44-Y64 HydrophobicContact CD-CE2 4.15Å; R53-Y64 HydrophobicContact CG-CD2 4.49Å; Q54-Y64 CarbonylContact O-C 3.52Å; Q54-Y64 WeakPolarHBondContact O-CA 3.38Å; Q54-Y64 WeakPolarHBondContact O-CB 3.28Å; F55-Y64 VanDerWaalsContact CD1-CB 3.46Å; F55-Y64 HydrophobicContact CD1-CD1 4.47Å; F55-Y64 HydrophobicContact CD1-CG 4.18Å; F55-Y64 AromaticContact CE1-CD1 3.94Å; F55-Y64 HydrophobicContact CE1-CD1 3.94Å; F55-Y64 HydrophobicContact CE1-CD2 4.43Å; F55-Y64 AromaticContact CE1-CG 3.72Å; F55-Y64 HydrophobicContact CE1-CG 3.72Å; F55-Y64 HydrophobicContact CZ-CD2 4.31Å; F55-Y64 HydrophobicContact CZ-CG 4.04Å; Y64-H78 HydrophobicContact CD1-CB 3.65Å; Y64-H78 HydrophobicContact CD2-CB 4.32Å; Y64-H78 AromaticContact CD2-CD2 3.94Å; Y64-H78 HydrophobicContact CE1-CB 3.28Å; Y64-H78 AromaticContact CE1-CG 3.86Å; Y64-H78 HydrophobicContact CE2-CB 4.01Å; Y64-H78 AromaticContact CE2-CD2 3.31Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.46Å; Y64-H78 AromaticContact CE2-CG 3.82Å; Y64-H78 HydrophobicContact CG-CB 4.15Å; Y64-H78 VanDerWaalsContact CZ-CB 3.48Å; Y64-H78 AromaticContact CZ-CD2 3.46Å; Y64-H78 VanDerWaalsContact CZ-CD2 3.46Å; Y64-H78 AromaticContact CZ-CG 3.48Å; Y64-H78 VanDerWaalsContact CZ-CG 3.48Å; Y64-H78 PolarHBondContact N-O 3.44Å; Y64-H78 PolarHBondContact O-N 3.38Å; Y64-I80 HydrophobicContact CD1-CD1 4.28Å; Y64-I80 HydrophobicContact CE1-CD1 3.77Å; Y64-F109 HydrophobicContact CD1-CZ 4.43Å; Y64-F109 HydrophobicContact CE1-CE1 4.25Å; Y64-F109 AromaticContact CE1-CZ 3.89Å; Y64-F109 HydrophobicContact CE1-CZ 3.89Å
65G96.7Very high95.5Very high0 Ų046.2 Ų46.20%022%0.222CC..EExtended strand (participates in β ladder)trans-152.8167-178.500000113.7R53 Q54 N75R53-G65 WeakPolarHBondContact CA-O 3.5Å; R53-G65 WeakPolarHBondContact CD-O 3.39Å; Q54-G65 PolarHBondContact N-O 3.28Å; Q54-G65 PolarHBondContact O-N 2.98Å; G65-N75 WeakPolarHBondContact CA-O 3.49Å
66N96.3Very high95.3Very high28 Ų2853 Ų5315%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-74.2139.8169.4-49.2-40000109.8R53 V68 Y74 N75 K76R53-N66 PolarHBondContact NE-OD1 2.85Å; R53-N66 PolarHBondContact NH2-OD1 2.87Å; N66-V68 PolarHBondContact O-N 3.33Å; N66-Y74 VanDerWaalsContact O-CA 3.24Å; N66-Y74 WeakPolarHBondContact O-CA 3.36Å; N66-N75 VanDerWaalsContact CB-OD1 3.28Å; N66-N75 WeakPolarHBondContact CB-OD1 3.32Å; N66-N75 PolarHBondContact N-O 3.44Å; N66-N75 PolarHBondContact ND2-OD1 2.99Å; N66-N75 PolarHBondContact O-N 2.69Å; N66-N75 VanDerWaalsContact O-N 3.08Å; N66-K76 VanDerWaalsContact ND2-CD 3.32Å; N66-K76 WeakPolarHBondContact ND2-CD 3.47Å; N66-K76 WeakPolarHBondContact ND2-CG 3.38Å
67I96.3Very high95.3Very high53 Ų5354.6 Ų54.627%0.27226%0.258SS..EExtended strand (participates in β ladder)trans-79.7117172.1-55.8168.3000108.2V41 A52 Q54 Q70 Y74V41-I67 HydrophobicContact CG1-CD1 3.89Å; V41-I67 HydrophobicContact CG2-CD1 3.85Å; A52-I67 HydrophobicContact CB-CD1 4.3Å; Q54-I67 HydrophobicContact CB-CD1 4.47Å; Q54-I67 HydrophobicContact CB-CG1 4.02Å; I67-Q70 HydrophobicContact CG2-CB 4.19Å; I67-Y74 HydrophobicContact CG1-CD1 4.34Å; I67-Y74 HydrophobicContact CG1-CE1 4.13Å; I67-Y74 HydrophobicContact CG2-CE1 4.32Å
68V94.9Very high95.2Very high70 Ų7057.9 Ų57.942%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-97.6-52.1170.6-173.60000108.5N66 K73 N75N66-V68 PolarHBondContact O-N 3.33Å; V68-K73 WeakPolarHBondContact CA-O 3.21Å; V68-K73 HydrophobicContact CB-CB 4.22Å; V68-K73 HydrophobicContact CB-CD 4.46Å; V68-K73 HydrophobicContact CB-CG 4.12Å; V68-K73 WeakPolarHBondContact CB-O 3.32Å; V68-K73 HydrophobicContact CG1-CD 4.26Å; V68-K73 HydrophobicContact CG1-CG 4.46Å; V68-K73 HydrophobicContact CG2-CG 4.48Å; V68-K73 PolarHBondContact N-O 2.87Å; V68-N75 HydrophobicContact CG2-CB 4.16Å; V68-N75 VanDerWaalsContact CG2-ND2 3.34Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.29Å
69I92.3Very high95.1Very high90 Ų9061 Ų6146%0.46229%0.289SS..EExtended strand (participates in β ladder)trans-135.5118.9172-52.4174.6000106.4K71 K72 K73I69-K71 PolarHBondContact O-N 3.23Å; I69-K72 HydrophobicContact CB-CB 4.01Å; I69-K72 HydrophobicContact CG2-CB 3.77Å; I69-K72 HydrophobicContact CG2-CD 3.95Å; I69-K72 HydrophobicContact CG2-CG 4.17Å; I69-K72 PolarHBondContact O-N 3.32Å; I69-K73 HydrophobicContact CB-CB 4.11Å; I69-K73 HydrophobicContact CD1-CB 4.42Å; I69-K73 HydrophobicContact CG1-CB 4.27Å; I69-K73 PolarHBondContact N-O 2.88Å; I69-K73 PolarHBondContact O-N 3.3Å
70Q88.9Confident95.1Very high125 Ų12560.2 Ų60.258%0.58429%0.285SS*.THydrogen-bonded Turntrans-55.7131-175.7-164.1177.911.500110.7I67 K72I67-Q70 HydrophobicContact CG2-CB 4.19Å; Q70-K72 PolarHBondContact O-N 2.73Å
71K86.1Confident95.1Very high167 Ų16761.1 Ų61.173%0.72629%0.293SS*.THydrogen-bonded Turntrans59.18.1-177.2-59.4-177.3178.5-1750116.2I69 Y74I69-K71 PolarHBondContact O-N 3.23Å; K71-Y74 WeakPolarHBondContact CA-OH 3.36Å; K71-Y74 PolarHBondContact N-OH 3.05Å; K71-Y74 VanDerWaalsContact N-OH 3.09Å
72K90.9Very high95Very high164 Ų16460.8 Ų60.871%0.71329%0.291SS*.THydrogen-bonded Turntrans-125.8-38.7179.9-65.3-172.2178.3-177.80113.5I69 Q70I69-K72 HydrophobicContact CB-CB 4.01Å; I69-K72 HydrophobicContact CG2-CB 3.77Å; I69-K72 HydrophobicContact CG2-CD 3.95Å; I69-K72 HydrophobicContact CG2-CG 4.17Å; I69-K72 PolarHBondContact O-N 3.32Å; Q70-K72 PolarHBondContact O-N 2.73Å
73K94.8Very high94.7Very high118 Ų11863.9 Ų63.951%0.51331%0.306SS..EExtended strand (participates in β ladder)trans-150.1124.4-174-167.7171.6-176.9172.60112.6C21 V68 I69C21-K73 CarbonylContact O-C 3.55Å; C21-K73 WeakPolarHBondContact O-CA 3.48Å; V68-K73 WeakPolarHBondContact CA-O 3.21Å; V68-K73 HydrophobicContact CB-CB 4.22Å; V68-K73 HydrophobicContact CB-CD 4.46Å; V68-K73 HydrophobicContact CB-CG 4.12Å; V68-K73 WeakPolarHBondContact CB-O 3.32Å; V68-K73 HydrophobicContact CG1-CD 4.26Å; V68-K73 HydrophobicContact CG1-CG 4.46Å; V68-K73 HydrophobicContact CG2-CG 4.48Å; V68-K73 PolarHBondContact N-O 2.87Å; I69-K73 HydrophobicContact CB-CB 4.11Å; I69-K73 HydrophobicContact CD1-CB 4.42Å; I69-K73 HydrophobicContact CG1-CB 4.27Å; I69-K73 PolarHBondContact N-O 2.88Å; I69-K73 PolarHBondContact O-N 3.3Å
74Y96.6Very high94.4Very high7 Ų766.2 Ų66.23%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-122.6155.4174.9-53.8-51.8000110.4C21 F22 Q54 F56 N66 I67 K71C21-Y74 HydrophobicContact CB-CD2 3.32Å; C21-Y74 HydrophobicContact CB-CE2 3.53Å; C21-Y74 HydrophobicContact CB-CG 4.33Å; C21-Y74 PolarHBondContact O-N 3.29Å; F22-Y74 HydrophobicContact CE2-CD2 4.44Å; F22-Y74 HydrophobicContact CZ-CD2 4.49Å; Q54-Y74 HydrophobicContact CB-CD1 4.01Å; Q54-Y74 HydrophobicContact CB-CE1 3.68Å; Q54-Y74 HydrophobicContact CB-CE2 4.49Å; Q54-Y74 HydrophobicContact CG-CD1 4.48Å; Q54-Y74 HydrophobicContact CG-CD2 4.48Å; Q54-Y74 HydrophobicContact CG-CE1 3.9Å; Q54-Y74 HydrophobicContact CG-CE2 3.96Å; Q54-Y74 PolarHBondContact OE1-OH 2.92Å; F56-Y74 HydrophobicContact CE2-CD2 4.19Å; F56-Y74 HydrophobicContact CE2-CE2 4.27Å; F56-Y74 AromaticContact CZ-CD2 3.93Å; F56-Y74 HydrophobicContact CZ-CD2 3.93Å; F56-Y74 AromaticContact CZ-CE2 3.59Å; F56-Y74 HydrophobicContact CZ-CE2 3.59Å; N66-Y74 VanDerWaalsContact O-CA 3.24Å; N66-Y74 WeakPolarHBondContact O-CA 3.36Å; I67-Y74 HydrophobicContact CG1-CD1 4.34Å; I67-Y74 HydrophobicContact CG1-CE1 4.13Å; I67-Y74 HydrophobicContact CG2-CE1 4.32Å; K71-Y74 WeakPolarHBondContact CA-OH 3.36Å; K71-Y74 PolarHBondContact N-OH 3.05Å; K71-Y74 VanDerWaalsContact N-OH 3.09Å
75N95.9Very high94.2Very high63 Ų6366.2 Ų66.234%0.33732%0.319SS..EExtended strand (participates in β ladder)trans-143.6172.5172.974.225.4000112G65 N66 V68G65-N75 WeakPolarHBondContact CA-O 3.49Å; N66-N75 VanDerWaalsContact CB-OD1 3.28Å; N66-N75 WeakPolarHBondContact CB-OD1 3.32Å; N66-N75 PolarHBondContact N-O 3.44Å; N66-N75 PolarHBondContact ND2-OD1 2.99Å; N66-N75 PolarHBondContact O-N 2.69Å; N66-N75 VanDerWaalsContact O-N 3.08Å; V68-N75 HydrophobicContact CG2-CB 4.16Å; V68-N75 VanDerWaalsContact CG2-ND2 3.34Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.29Å
76K94.8Very high94.1Very high144 Ų14467.8 Ų67.863%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans52.359.2-173.5-55.6-163.6-168.9-170.80111.2N66 H78N66-K76 VanDerWaalsContact ND2-CD 3.32Å; N66-K76 WeakPolarHBondContact ND2-CD 3.47Å; N66-K76 WeakPolarHBondContact ND2-CG 3.38Å; K76-H78 PolarHBondContact O-CD2 2.77Å; K76-H78 PolarHBondContact O-N 3.09Å
77Q97.3Very high94.1Very high33 Ų3367.3 Ų67.315%0.15433%0.326CS..EExtended strand (participates in β ladder)trans-60.2129.5175.6-166.9-16741.700109.3F22 Q27 V63 I79F22-Q77 HydrophobicContact CD1-CB 3.66Å; F22-Q77 HydrophobicContact CD1-CG 3.95Å; F22-Q77 HydrophobicContact CD2-CG 4.3Å; F22-Q77 HydrophobicContact CE1-CB 3.68Å; F22-Q77 HydrophobicContact CE1-CG 3.81Å; F22-Q77 HydrophobicContact CE2-CG 4.19Å; F22-Q77 HydrophobicContact CG-CB 4.27Å; F22-Q77 HydrophobicContact CG-CG 4.19Å; F22-Q77 HydrophobicContact CZ-CB 4.33Å; F22-Q77 HydrophobicContact CZ-CG 3.94Å; Q27-Q77 PolarHBondContact O-NE2 3.08Å; Q27-Q77 VanDerWaalsContact O-NE2 3.14Å; V63-Q77 HydrophobicContact CG1-CG 3.78Å; Q77-I79 HydrophobicContact CG-CG1 4.18Å
78H96.2Very high94.1Very high70 Ų7068.3 Ų68.332%0.32433%0.332SS..EExtended strand (participates in β ladder)trans-119.6122.2172.7-69.2-73.6000107.6V63 Y64 K76V63-H78 CarbonylContact C-O 3.54Å; V63-H78 VanDerWaalsContact CA-O 3.24Å; V63-H78 WeakPolarHBondContact CA-O 3.44Å; Y64-H78 HydrophobicContact CD1-CB 3.65Å; Y64-H78 HydrophobicContact CD2-CB 4.32Å; Y64-H78 AromaticContact CD2-CD2 3.94Å; Y64-H78 HydrophobicContact CE1-CB 3.28Å; Y64-H78 AromaticContact CE1-CG 3.86Å; Y64-H78 HydrophobicContact CE2-CB 4.01Å; Y64-H78 AromaticContact CE2-CD2 3.31Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.46Å; Y64-H78 AromaticContact CE2-CG 3.82Å; Y64-H78 HydrophobicContact CG-CB 4.15Å; Y64-H78 VanDerWaalsContact CZ-CB 3.48Å; Y64-H78 AromaticContact CZ-CD2 3.46Å; Y64-H78 VanDerWaalsContact CZ-CD2 3.46Å; Y64-H78 AromaticContact CZ-CG 3.48Å; Y64-H78 VanDerWaalsContact CZ-CG 3.48Å; Y64-H78 PolarHBondContact N-O 3.44Å; Y64-H78 PolarHBondContact O-N 3.38Å; K76-H78 PolarHBondContact O-CD2 2.77Å; K76-H78 PolarHBondContact O-N 3.09Å
79I96.9Very high94.2Very high65 Ų6568.8 Ų68.833%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-110.9125.9178-59.1176.9000107.8Q27 L29 I61 V63 Q77Q27-I79 HydrophobicContact CB-CD1 3.85Å; Q27-I79 HydrophobicContact CG-CD1 4.47Å; L29-I79 HydrophobicContact CD2-CD1 3.72Å; L29-I79 HydrophobicContact CD2-CG1 4.29Å; I61-I79 HydrophobicContact CB-CG2 4.12Å; I61-I79 HydrophobicContact CD1-CG2 3.88Å; I61-I79 HydrophobicContact CG2-CG2 4.07Å; V63-I79 HydrophobicContact CG1-CG1 4.34Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.49Å; Q77-I79 HydrophobicContact CG-CG1 4.18Å
80I96.3Very high94.4Very high16 Ų1666.1 Ų66.18%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-123.6117.1-178.7-60.7170000108I61 L62 Y64 L82 V85 T104 F109I61-I80 CarbonylContact C-O 3.5Å; I61-I80 VanDerWaalsContact CA-O 3.3Å; I61-I80 WeakPolarHBondContact CA-O 3.1Å; L62-I80 HydrophobicContact CB-CB 4.4Å; L62-I80 PolarHBondContact N-O 3.12Å; L62-I80 PolarHBondContact O-N 3.48Å; Y64-I80 HydrophobicContact CD1-CD1 4.28Å; Y64-I80 HydrophobicContact CE1-CD1 3.77Å; I80-L82 PolarHBondContact O-N 2.94Å; I80-V85 HydrophobicContact CG2-CG2 3.49Å; I80-V85 VanDerWaalsContact CG2-CG2 3.49Å; I80-T104 HydrophobicContact CD1-CG2 4.27Å; I80-T104 HydrophobicContact CG2-CG2 3.69Å; I80-F109 HydrophobicContact CD1-CE1 4.24Å; I80-F109 HydrophobicContact CD1-CZ 4.27Å
81P95.3Very high94.6Very high56 Ų5668.1 Ų68.136%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-60.6127.9170.6-21.633.3000111E83 N84P81-E83 HydrophobicContact CB-CG 3.93Å; P81-E83 PolarHBondContact O-N 2.58Å; P81-N84 PolarHBondContact O-N 2.79Å; P81-N84 VanDerWaalsContact O-N 3.12Å
82L95.3Very high94.8Very high0 Ų063.2 Ų63.20%031%0.313CS..G310 helixtrans-65.8-27.5-177.7-76-176.3000112.8L57 F58 D60 L62 I80 N84 V85 C129 V130 L133L57-L82 HydrophobicContact CD1-CD1 3.87Å; L57-L82 HydrophobicContact CD1-CD2 4.07Å; F58-L82 VanDerWaalsContact O-CD1 3.25Å; F58-L82 WeakPolarHBondContact O-CD1 3.45Å; D60-L82 WeakPolarHBondContact O-CB 3.46Å; D60-L82 PolarHBondContact O-N 3.29Å; L62-L82 HydrophobicContact CB-CD2 3.88Å; I80-L82 PolarHBondContact O-N 2.94Å; L82-N84 PolarHBondContact O-N 2.98Å; L82-V85 HydrophobicContact CD2-CB 4.4Å; L82-V85 HydrophobicContact CD2-CG2 4.16Å; L82-V85 WeakPolarHBondContact O-CB 3.49Å; L82-V85 PolarHBondContact O-N 2.95Å; L82-C129 HydrophobicContact CD1-CB 3.53Å; L82-V130 HydrophobicContact CB-CG2 4.1Å; L82-V130 WeakPolarHBondContact O-CG2 3.12Å; L82-L133 HydrophobicContact CB-CD1 3.56Å; L82-L133 HydrophobicContact CD1-CD1 4.33Å
83E91.4Very high94.5Very high66 Ų6662.4 Ų62.431%0.30831%0.312SS..G310 helixtrans-55.5-22.4173.459.1173.5-144.400113.5P81 K139P81-E83 HydrophobicContact CB-CG 3.93Å; P81-E83 PolarHBondContact O-N 2.58Å; E83-K139 VanDerWaalsContact CD-NZ 3.32Å; E83-K139 IonicContact OE1-NZ 2.69Å; E83-K139 PolarHBondContact OE1-NZ 2.96Å; E83-K139 IonicContact OE2-NZ 3.26Å; E83-K139 PolarHBondContact OE2-NZ 3.41Å
84N91.1Very high94Very high50 Ų5060.2 Ų60.227%0.26732%0.322SS..G310 helixtrans-101.98.6179.7-65.8-44.1000113.3P81 L82 P105P81-N84 PolarHBondContact O-N 2.79Å; P81-N84 VanDerWaalsContact O-N 3.12Å; L82-N84 PolarHBondContact O-N 2.98Å; N84-P105 HydrophobicContact CB-CG 4.1Å; N84-P105 WeakPolarHBondContact O-CD 3.18Å
85V94.6Very high93.3Very high6 Ų667.8 Ų67.84%0.03636%0.364CS..  trans-104.1128-175.5176.30000110.5I80 L82 I87 I102 K103 T104 I126I80-V85 HydrophobicContact CG2-CG2 3.49Å; I80-V85 VanDerWaalsContact CG2-CG2 3.49Å; L82-V85 HydrophobicContact CD2-CB 4.4Å; L82-V85 HydrophobicContact CD2-CG2 4.16Å; L82-V85 WeakPolarHBondContact O-CB 3.49Å; L82-V85 PolarHBondContact O-N 2.95Å; V85-I87 HydrophobicContact CG1-CG2 3.99Å; V85-I102 HydrophobicContact CG1-CG2 4.07Å; V85-K103 WeakPolarHBondContact CA-O 3.49Å; V85-T104 HydrophobicContact CG2-CG2 4.17Å; V85-I126 HydrophobicContact CG1-CG2 4.21Å
86T94.9Very high92.8Very high32 Ų3268.1 Ų68.120%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-119.3151.9160.167.80000109.5K103 H145T86-K103 PolarHBondContact N-O 3.02Å; T86-K103 VanDerWaalsContact N-O 3.11Å; T86-K103 WeakPolarHBondContact O-CB 3.49Å; T86-K103 PolarHBondContact O-N 3.24Å; T86-K103 WeakPolarHBondContact OG1-CB 3.31Å; T86-K103 WeakPolarHBondContact OG1-CE 3.21Å; T86-H145 WeakPolarHBondContact CG2-NE2 3.3Å; T86-H145 PolarHBondContact OG1-CD2 2.78Å; T86-H145 PolarHBondContact OG1-CE1 2.75Å; T86-H145 VanDerWaalsContact OG1-CE1 3.3Å; T86-H145 PolarHBondContact OG1-NE2 3.3Å
87I96.7Very high92.8Very high18 Ų1868.3 Ų68.39%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-130.6139.3-178.855.2163.4000111.8V85 L101 I102 M123 I126 N127V85-I87 HydrophobicContact CG1-CG2 3.99Å; I87-L101 WeakPolarHBondContact CA-O 3.3Å; I87-L101 WeakPolarHBondContact CB-O 3.37Å; I87-L101 WeakPolarHBondContact CG2-O 3.39Å; I87-I102 HydrophobicContact CG2-CG1 4.22Å; I87-M123 HydrophobicContact CD1-CB 3.83Å; I87-M123 HydrophobicContact CD1-CE 3.99Å; I87-M123 HydrophobicContact CD1-CG 3.98Å; I87-M123 WeakPolarHBondContact CD1-O 3.27Å; I87-M123 HydrophobicContact CG1-CE 4.48Å; I87-I126 HydrophobicContact CD1-CB 4.13Å; I87-I126 HydrophobicContact CD1-CG2 4.05Å; I87-I126 HydrophobicContact CG1-CG2 4.4Å; I87-I126 HydrophobicContact CG2-CG2 4.07Å; I87-N127 WeakPolarHBondContact CD1-OD1 3.31Å; I87-N127 WeakPolarHBondContact CG1-OD1 3.47Å
88D96.3Very high92.8Very high75 Ų7567.9 Ų67.940%0.40136%0.361SS..EExtended strand (participates in β ladder)trans-127.3138.5174.1-62.5-14.2000110W100 L101 K103D88-W100 CarbonylContact O-C 3.55Å; D88-W100 VanDerWaalsContact O-CA 3.27Å; D88-W100 WeakPolarHBondContact O-CA 3.42Å; D88-W100 VanDerWaalsContact O-CB 3.3Å; D88-W100 WeakPolarHBondContact O-CB 3.39Å; D88-L101 HydrophobicContact CB-CB 4.41Å; D88-L101 PolarHBondContact N-O 3.37Å; D88-L101 PolarHBondContact O-N 3.49Å; D88-K103 WeakPolarHBondContact OD1-CE 3.32Å; D88-K103 IonicContact OD1-NZ 2.79Å; D88-K103 PolarHBondContact OD1-NZ 2.85Å; D88-K103 WeakPolarHBondContact OD2-CE 3.36Å; D88-K103 IonicContact OD2-NZ 2.58Å; D88-K103 PolarHBondContact OD2-NZ 2.85Å
89S96.9Very high92.8Very high79 Ų7964.6 Ų64.655%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-67.4137.7173.5-165.10000110.6K119S89-K119 VanDerWaalsContact OG-CE 3.32Å; S89-K119 WeakPolarHBondContact OG-CE 3.16Å; S89-K119 PolarHBondContact OG-NZ 3.03Å
90I95.3Very high92.9Very high35 Ų3561.5 Ų61.518%0.17933%0.33CS..PPolyproline II helixtrans-97.3138.3169.4-60.6167.7000107.6G99 L101 A110 K119I90-G99 PolarHBondContact N-O 3.5Å; I90-L101 HydrophobicContact CD1-CD2 3.83Å; I90-L101 HydrophobicContact CD1-CG 3.88Å; I90-L101 HydrophobicContact CG1-CD2 4.39Å; I90-L101 HydrophobicContact CG1-CG 3.91Å; I90-A110 HydrophobicContact CD1-CB 3.55Å; I90-K119 PolarHBondContact O-NZ 3.47Å; I90-K119 VanDerWaalsContact O-NZ 3.12Å
91K92.5Very high92.9Very high166 Ų16662.5 Ų62.572%0.72234%0.335SS*.PPolyproline II helixtrans-69.6142.2173.2-67.8-179-179.2175.40109.3E93K91-E93 PolarHBondContact O-N 3.37Å
92D92.1Very high93Very high65 Ų6560 Ų6035%0.34832%0.318SS..PPolyproline II helixtrans-66.8128176.2-73.4-0.9000109.6R97 N98D92-R97 HydrophobicContact CB-CB 4.46Å; D92-R97 HydrophobicContact CB-CG 4.19Å; D92-R97 WeakPolarHBondContact OD1-CA 3.49Å; D92-R97 IonicContact OD2-CZ 2.99Å; D92-R97 IonicContact OD2-NE 2.87Å; D92-R97 PolarHBondContact OD2-NE 3.11Å; D92-R97 IonicContact OD2-NH2 3.78Å; D92-R97 PolarHBondContact OD2-NH2 3.36Å; D92-N98 PolarHBondContact OD1-N 2.8Å
93E83.7Confident93Very high147 Ų14761.7 Ų61.769%0.68733%0.326SS*.BIsolated β-bridgetrans-136.2119.3177.5-71.9-176.4-171.100110K91 D95 L96K91-E93 PolarHBondContact O-N 3.37Å; E93-D95 PolarHBondContact O-N 3Å; E93-L96 PolarHBondContact N-O 2.79Å; E93-L96 PolarHBondContact O-N 3.03Å
94G83.8Confident93.2Very high71 Ų7158.7 Ų58.773%0.73231%0.312SS*.THydrogen-bonded Turntrans55-129.4-176.300000112.5L96G94-L96 VanDerWaalsContact C-N 3.28Å; G94-L96 PolarHBondContact O-N 2.85Å
95D82.4Confident93.2Very high167 Ų16757.3 Ų57.389%0.89331%0.306SS*.THydrogen-bonded Turntrans-77.6-11.6179.2-62-31.5000113.6E93 R97E93-D95 PolarHBondContact O-N 3Å; D95-R97 PolarHBondContact O-N 3.34Å
96L85.2Confident93.1Very high69 Ų6961.2 Ų61.236%0.36133%0.33SS..BIsolated β-bridgetrans-88.891.8-179.1-68.2179.8000109.9L45 E93 G94 Y112L45-L96 HydrophobicContact CD1-CD1 4.44Å; E93-L96 PolarHBondContact N-O 2.79Å; E93-L96 PolarHBondContact O-N 3.03Å; G94-L96 VanDerWaalsContact C-N 3.28Å; G94-L96 PolarHBondContact O-N 2.85Å; L96-Y112 HydrophobicContact CB-CD1 4.33Å; L96-Y112 HydrophobicContact CB-CE1 3.67Å; L96-Y112 HydrophobicContact CD2-CE1 4.37Å; L96-Y112 HydrophobicContact CG-CE1 4.47Å
97R94.3Very high93Very high148 Ų14864.2 Ų64.256%0.55834%0.34SS*.  trans-116.2155.1-178.3-54.6-165.867.7-176.13.6112.4D92 D95 Y112D92-R97 HydrophobicContact CB-CB 4.46Å; D92-R97 HydrophobicContact CB-CG 4.19Å; D92-R97 WeakPolarHBondContact OD1-CA 3.49Å; D92-R97 IonicContact OD2-CZ 2.99Å; D92-R97 IonicContact OD2-NE 2.87Å; D92-R97 PolarHBondContact OD2-NE 3.11Å; D92-R97 IonicContact OD2-NH2 3.78Å; D92-R97 PolarHBondContact OD2-NH2 3.36Å; D95-R97 PolarHBondContact O-N 3.34Å; R97-Y112 WeakPolarHBondContact O-CD1 3.45Å
98N97Very high93Very high25 Ų2563.7 Ų63.713%0.13434%0.338CS..SBendtrans64.639.1177.6-41.3-55.6000112.7D92 A113 A116 K119D92-N98 PolarHBondContact OD1-N 2.8Å; N98-A113 HydrophobicContact CB-CB 4.49Å; N98-A113 PolarHBondContact O-N 3.24Å; N98-A113 VanDerWaalsContact O-N 3.16Å; N98-A116 VanDerWaalsContact OD1-CA 3.29Å; N98-A116 WeakPolarHBondContact OD1-CA 3.38Å; N98-A116 WeakPolarHBondContact OD1-CB 3.1Å; N98-A116 PolarHBondContact OD1-N 3Å; N98-K119 VanDerWaalsContact C-CD 3.44Å; N98-K119 HydrophobicContact CB-CB 4.07Å; N98-K119 HydrophobicContact CB-CD 4.14Å
99G97.2Very high93Very high1 Ų160.3 Ų60.31%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-91.9151.3179.100000115.2I90 V111 Y112 K119I90-G99 PolarHBondContact N-O 3.5Å; G99-V111 CarbonylContact C-O 3.55Å; G99-V111 VanDerWaalsContact CA-O 3.25Å; G99-V111 WeakPolarHBondContact CA-O 3.26Å; G99-Y112 VanDerWaalsContact CA-CD1 3.42Å; G99-K119 WeakPolarHBondContact O-CE 3.36Å; G99-K119 PolarHBondContact O-NZ 2.87Å
100W98.1Very high92.9Very high0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-14715716470101.8000111.3L42 D88 A110 V111 A113 K119 W122 M123L42-W100 HydrophobicContact CD1-CH2 3.65Å; L42-W100 HydrophobicContact CD1-CZ2 3.61Å; L42-W100 HydrophobicContact CD2-CH2 3.71Å; L42-W100 HydrophobicContact CG-CH2 4.31Å; D88-W100 CarbonylContact O-C 3.55Å; D88-W100 VanDerWaalsContact O-CA 3.27Å; D88-W100 WeakPolarHBondContact O-CA 3.42Å; D88-W100 VanDerWaalsContact O-CB 3.3Å; D88-W100 WeakPolarHBondContact O-CB 3.39Å; W100-A110 WeakPolarHBondContact O-CA 3.35Å; W100-V111 HydrophobicContact CD2-CG2 3.57Å; W100-V111 HydrophobicContact CE3-CG2 4.05Å; W100-V111 HydrophobicContact CG-CG2 4.1Å; W100-V111 HydrophobicContact CH2-CG2 3.93Å; W100-V111 HydrophobicContact CZ2-CG2 3.41Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.41Å; W100-V111 HydrophobicContact CZ3-CG2 4.21Å; W100-V111 PolarHBondContact N-O 3.37Å; W100-V111 PolarHBondContact O-N 3.29Å; W100-A113 HydrophobicContact CH2-CB 4.17Å; W100-A113 HydrophobicContact CZ3-CB 3.8Å; W100-K119 HydrophobicContact CE3-CB 4.19Å; W100-K119 HydrophobicContact CE3-CD 4.37Å; W100-K119 HydrophobicContact CE3-CG 3.85Å; W100-K119 HydrophobicContact CZ3-CB 3.95Å; W100-K119 HydrophobicContact CZ3-CG 4.14Å; W100-W122 HydrophobicContact CH2-CB 3.84Å; W100-W122 HydrophobicContact CH2-CG 4.1Å; W100-W122 HydrophobicContact CZ2-CB 3.7Å; W100-W122 HydrophobicContact CZ2-CG 4.12Å; W100-M123 HydrophobicContact CB-CE 4.03Å; W100-M123 HydrophobicContact CB-CG 4.23Å; W100-M123 HydrophobicContact CB-SD 3.67Å; W100-M123 HydrophobicContact CD2-CG 4.03Å; W100-M123 HydrophobicContact CD2-SD 4.42Å; W100-M123 HydrophobicContact CG-CG 3.88Å; W100-M123 HydrophobicContact CG-SD 3.98Å
101L97.3Very high93Very high37 Ų3755.2 Ų55.219%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-87.7135173.1-69.1177.8000110.1I87 D88 I90 K103 A110 V148I87-L101 WeakPolarHBondContact CA-O 3.3Å; I87-L101 WeakPolarHBondContact CB-O 3.37Å; I87-L101 WeakPolarHBondContact CG2-O 3.39Å; D88-L101 HydrophobicContact CB-CB 4.41Å; D88-L101 PolarHBondContact N-O 3.37Å; D88-L101 PolarHBondContact O-N 3.49Å; I90-L101 HydrophobicContact CD1-CD2 3.83Å; I90-L101 HydrophobicContact CD1-CG 3.88Å; I90-L101 HydrophobicContact CG1-CD2 4.39Å; I90-L101 HydrophobicContact CG1-CG 3.91Å; L101-K103 HydrophobicContact CB-CG 4.44Å; L101-A110 HydrophobicContact CD2-CB 3.86Å; L101-V148 HydrophobicContact CD1-CG2 4.39Å; L101-V148 HydrophobicContact CD2-CG1 4.22Å; L101-V148 HydrophobicContact CD2-CG2 3.79Å
102I97.4Very high93.3Very high2 Ų248.5 Ų48.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-106.1114.1163.1-60.8174.6000106.4F55 L62 V85 I87 T104 S108 F109 V111F55-I102 HydrophobicContact CE1-CD1 4.45Å; L62-I102 HydrophobicContact CD2-CD1 3.88Å; L62-I102 HydrophobicContact CD2-CG2 4.31Å; V85-I102 HydrophobicContact CG1-CG2 4.07Å; I87-I102 HydrophobicContact CG2-CG1 4.22Å; I102-T104 HydrophobicContact CG2-CG2 4.26Å; I102-S108 CarbonylContact O-C 3.58Å; I102-S108 VanDerWaalsContact O-CA 3.24Å; I102-S108 WeakPolarHBondContact O-CA 3.49Å; I102-F109 HydrophobicContact CB-CE2 4.17Å; I102-F109 HydrophobicContact CB-CZ 4.26Å; I102-F109 HydrophobicContact CD1-CE2 3.93Å; I102-F109 HydrophobicContact CD1-CZ 4.34Å; I102-F109 HydrophobicContact CG2-CZ 4.22Å; I102-F109 PolarHBondContact N-O 2.82Å; I102-F109 PolarHBondContact O-N 3.49Å; I102-V111 HydrophobicContact CD1-CG1 4.16Å; I102-V111 HydrophobicContact CD1-CG2 3.8Å; I102-V111 HydrophobicContact CG1-CG2 4.14Å
103K95.8Very high93.6Very high37 Ų3745.8 Ų45.816%0.16125%0.245CC..EExtended strand (participates in β ladder)trans-105.9131-177.8-72.6175.3-76.9168.30110.3V85 T86 D88 L101 S108 H145V85-K103 WeakPolarHBondContact CA-O 3.49Å; T86-K103 PolarHBondContact N-O 3.02Å; T86-K103 VanDerWaalsContact N-O 3.11Å; T86-K103 WeakPolarHBondContact O-CB 3.49Å; T86-K103 PolarHBondContact O-N 3.24Å; T86-K103 WeakPolarHBondContact OG1-CB 3.31Å; T86-K103 WeakPolarHBondContact OG1-CE 3.21Å; D88-K103 WeakPolarHBondContact OD1-CE 3.32Å; D88-K103 IonicContact OD1-NZ 2.79Å; D88-K103 PolarHBondContact OD1-NZ 2.85Å; D88-K103 WeakPolarHBondContact OD2-CE 3.36Å; D88-K103 IonicContact OD2-NZ 2.58Å; D88-K103 PolarHBondContact OD2-NZ 2.85Å; L101-K103 HydrophobicContact CB-CG 4.44Å; K103-S108 WeakPolarHBondContact CA-OG 3.49Å; K103-H145 HydrophobicContact CB-CB 4.09Å
104T94.8Very high94.1Very high2 Ų242.7 Ų42.71%0.01224%0.244CC..  trans-143.1159.1178.879.30000110.4I80 V85 I102 T106 K107 S108 H145 A146I80-T104 HydrophobicContact CD1-CG2 4.27Å; I80-T104 HydrophobicContact CG2-CG2 3.69Å; V85-T104 HydrophobicContact CG2-CG2 4.17Å; I102-T104 HydrophobicContact CG2-CG2 4.26Å; T104-T106 PolarHBondContact O-N 3.39Å; T104-T106 PolarHBondContact OG1-OG1 3.38Å; T104-K107 VanDerWaalsContact OG1-C 3.24Å; T104-K107 PolarHBondContact OG1-N 3.12Å; T104-K107 PolarHBondContact OG1-O 2.77Å; T104-S108 PolarHBondContact N-OG 3.35Å; T104-S108 PolarHBondContact O-OG 2.74Å; T104-H145 WeakPolarHBondContact O-CA 3.41Å; T104-A146 PolarHBondContact O-N 3.28Å
105P91.8Very high94.7Very high22 Ų2242.2 Ų42.214%0.14323%0.227CC..SBendtrans-58.2-34.4178.1-25.933.7000113.8N84 E144 Q196N84-P105 HydrophobicContact CB-CG 4.1Å; N84-P105 WeakPolarHBondContact O-CD 3.18Å; P105-E144 WeakPolarHBondContact CA-O 3.08Å; P105-Q196 WeakPolarHBondContact O-CG 3.42Å
106T92.1Very high95.4Very high87 Ų8737.2 Ų37.253%0.53421%0.209SC..SBendtrans-91.3-37.3-175.459.70000112.7T104 S195T104-T106 PolarHBondContact O-N 3.39Å; T104-T106 PolarHBondContact OG1-OG1 3.38Å; T106-S195 WeakPolarHBondContact CA-O 3.4Å; T106-S195 WeakPolarHBondContact CG2-O 3.36Å
107K92.8Very high96Very high95 Ų9537.9 Ų37.941%0.41322%0.216SC..  trans-162119.8-173.4-169.8178.7-173.8175.60112.8T104 F109T104-K107 VanDerWaalsContact OG1-C 3.24Å; T104-K107 PolarHBondContact OG1-N 3.12Å; T104-K107 PolarHBondContact OG1-O 2.77Å; K107-F109 HydrophobicContact CG-CD1 4.23Å
108S95.5Very high96.2Very high8 Ų834.2 Ų34.26%0.05621%0.205CC..BIsolated β-bridgetrans-103.7146.3172.6-54.80000111.3I102 K103 T104 A146I102-S108 CarbonylContact O-C 3.58Å; I102-S108 VanDerWaalsContact O-CA 3.24Å; I102-S108 WeakPolarHBondContact O-CA 3.49Å; K103-S108 WeakPolarHBondContact CA-OG 3.49Å; T104-S108 PolarHBondContact N-OG 3.35Å; T104-S108 PolarHBondContact O-OG 2.74Å; S108-A146 WeakPolarHBondContact CB-O 3.38Å; S108-A146 PolarHBondContact OG-O 3.18Å
109F96.1Very high96.2Very high4 Ų434.3 Ų34.32%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-160.5152.6-178.653-89.1000112.8K44 F55 Y64 I80 I102 K107 V111K44-F109 HydrophobicContact CD-CD2 3.99Å; K44-F109 HydrophobicContact CD-CE2 4.2Å; K44-F109 HydrophobicContact CD-CG 4.42Å; K44-F109 HydrophobicContact CG-CD2 3.8Å; K44-F109 HydrophobicContact CG-CE2 4.3Å; K44-F109 HydrophobicContact CG-CG 4.44Å; K44-F109 VanDerWaalsContact NZ-CB 3.26Å; F55-F109 HydrophobicContact CE1-CE2 4.11Å; F55-F109 HydrophobicContact CE1-CZ 4.41Å; F55-F109 HydrophobicContact CZ-CE2 4.06Å; Y64-F109 HydrophobicContact CD1-CZ 4.43Å; Y64-F109 HydrophobicContact CE1-CE1 4.25Å; Y64-F109 AromaticContact CE1-CZ 3.89Å; Y64-F109 HydrophobicContact CE1-CZ 3.89Å; I80-F109 HydrophobicContact CD1-CE1 4.24Å; I80-F109 HydrophobicContact CD1-CZ 4.27Å; I102-F109 HydrophobicContact CB-CE2 4.17Å; I102-F109 HydrophobicContact CB-CZ 4.26Å; I102-F109 HydrophobicContact CD1-CE2 3.93Å; I102-F109 HydrophobicContact CD1-CZ 4.34Å; I102-F109 HydrophobicContact CG2-CZ 4.22Å; I102-F109 PolarHBondContact N-O 2.82Å; I102-F109 PolarHBondContact O-N 3.49Å; K107-F109 HydrophobicContact CG-CD1 4.23Å; F109-V111 HydrophobicContact CD2-CG1 3.7Å; F109-V111 HydrophobicContact CE2-CG1 3.65Å
110A96.5Very high96.3Very high7 Ų736.7 Ų36.76%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-83.6143.3170.400000111.6L45 I90 W100 L101 Y112L45-A110 HydrophobicContact CB-CB 4.23Å; L45-A110 HydrophobicContact CD1-CB 4.07Å; L45-A110 HydrophobicContact CG-CB 4.38Å; L45-A110 PolarHBondContact N-O 3.19Å; I90-A110 HydrophobicContact CD1-CB 3.55Å; W100-A110 WeakPolarHBondContact O-CA 3.35Å; L101-A110 HydrophobicContact CD2-CB 3.86Å; A110-Y112 HydrophobicContact CB-CE2 3.86Å
111V97.6Very high96.3Very high0 Ų041.6 Ų41.60%024%0.244CC..EExtended strand (participates in β ladder)trans-130.3153169.6-65.70000109.9L42 T43 K44 F55 G99 W100 I102 F109L42-V111 HydrophobicContact CB-CB 4.35Å; L42-V111 HydrophobicContact CD1-CB 4.36Å; L42-V111 HydrophobicContact CD1-CG2 4.29Å; T43-V111 CarbonylContact O-C 3.5Å; T43-V111 VanDerWaalsContact O-CA 3.29Å; T43-V111 WeakPolarHBondContact O-CA 3.48Å; K44-V111 HydrophobicContact CB-CG1 4.31Å; K44-V111 HydrophobicContact CG-CG1 4.28Å; F55-V111 HydrophobicContact CE1-CG1 4.38Å; F55-V111 HydrophobicContact CE2-CG1 4.24Å; F55-V111 HydrophobicContact CZ-CG1 3.7Å; G99-V111 CarbonylContact C-O 3.55Å; G99-V111 VanDerWaalsContact CA-O 3.25Å; G99-V111 WeakPolarHBondContact CA-O 3.26Å; W100-V111 HydrophobicContact CD2-CG2 3.57Å; W100-V111 HydrophobicContact CE3-CG2 4.05Å; W100-V111 HydrophobicContact CG-CG2 4.1Å; W100-V111 HydrophobicContact CH2-CG2 3.93Å; W100-V111 HydrophobicContact CZ2-CG2 3.41Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.41Å; W100-V111 HydrophobicContact CZ3-CG2 4.21Å; W100-V111 PolarHBondContact N-O 3.37Å; W100-V111 PolarHBondContact O-N 3.29Å; I102-V111 HydrophobicContact CD1-CG1 4.16Å; I102-V111 HydrophobicContact CD1-CG2 3.8Å; I102-V111 HydrophobicContact CG1-CG2 4.14Å; F109-V111 HydrophobicContact CD2-CG1 3.7Å; F109-V111 HydrophobicContact CE2-CG1 3.65Å
112Y97.5Very high96.3Very high24 Ų2440.9 Ų40.99%0.09424%0.239CC..EExtended strand (participates in β ladder)trans-131.7132.6-178.2-64.5-103.5000109T43 L45 L96 R97 G99 A110T43-Y112 PolarHBondContact N-O 3.19Å; T43-Y112 PolarHBondContact O-N 3.4Å; L45-Y112 HydrophobicContact CD1-CD2 4.34Å; L45-Y112 HydrophobicContact CD1-CE2 3.34Å; L45-Y112 HydrophobicContact CD2-CE2 4.38Å; L45-Y112 HydrophobicContact CG-CD2 4.02Å; L45-Y112 HydrophobicContact CG-CE2 3.49Å; L45-Y112 VanDerWaalsContact CG-CE2 3.49Å; L96-Y112 HydrophobicContact CB-CD1 4.33Å; L96-Y112 HydrophobicContact CB-CE1 3.67Å; L96-Y112 HydrophobicContact CD2-CE1 4.37Å; L96-Y112 HydrophobicContact CG-CE1 4.47Å; R97-Y112 WeakPolarHBondContact O-CD1 3.45Å; G99-Y112 VanDerWaalsContact CA-CD1 3.42Å; A110-Y112 HydrophobicContact CB-CE2 3.86Å
113A97.8Very high96.4Very high9 Ų942 Ų427%0.07424%0.244CC..  trans-90.9163.3173.100000111.2L42 N98 W100 T115 E118 K119L42-A113 HydrophobicContact CD2-CB 3.98Å; N98-A113 HydrophobicContact CB-CB 4.49Å; N98-A113 PolarHBondContact O-N 3.24Å; N98-A113 VanDerWaalsContact O-N 3.16Å; W100-A113 HydrophobicContact CH2-CB 4.17Å; W100-A113 HydrophobicContact CZ3-CB 3.8Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-E118 HydrophobicContact CB-CB 3.72Å; A113-K119 HydrophobicContact CB-CB 4.13Å
114A95.4Very high96.5Very high81 Ų8145.1 Ų45.167%0.66926%0.263SS*.SBendtrans-72.1-31.2177.700000111.3E118A114-E118 WeakPolarHBondContact CB-OE2 3.25Å; A114-E118 PolarHBondContact N-OE2 2.94Å
115T96.7Very high96.6Very high61 Ų6148.8 Ų48.837%0.37428%0.28SS..SBendtrans-130.6158.6-178.9720000112.6A113 T117 E118 K119A113-T115 VanDerWaalsContact C-N 3.31Å; T115-T117 VanDerWaalsContact C-N 3.26Å; T115-T117 PolarHBondContact O-N 2.89Å; T115-E118 PolarHBondContact N-OE2 2.81Å; T115-E118 PolarHBondContact O-N 2.93Å; T115-E118 WeakPolarHBondContact OG1-CB 3.41Å; T115-E118 WeakPolarHBondContact OG1-CG 3.45Å; T115-E118 PolarHBondContact OG1-N 2.93Å; T115-E118 VanDerWaalsContact OG1-N 3.08Å; T115-K119 PolarHBondContact O-N 2.92Å; T115-K119 VanDerWaalsContact O-N 3.09Å
116A97.1Very high96.9Very high62 Ų6247.8 Ų47.851%0.51227%0.273SS..Hα-helixtrans-62-37173.800000111.7N98 K119 S120N98-A116 VanDerWaalsContact OD1-CA 3.29Å; N98-A116 WeakPolarHBondContact OD1-CA 3.38Å; N98-A116 WeakPolarHBondContact OD1-CB 3.1Å; N98-A116 PolarHBondContact OD1-N 3Å; A116-K119 PolarHBondContact O-N 3.16Å; A116-S120 PolarHBondContact O-N 2.88Å
117T97.8Very high97.2Very high83 Ų8347.1 Ų47.151%0.50927%0.266SS..Hα-helixtrans-60.8-51.5175.8-51.40000110.6T115 K119 S120 E121T115-T117 VanDerWaalsContact C-N 3.26Å; T115-T117 PolarHBondContact O-N 2.89Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 3.13Å; T117-S120 PolarHBondContact O-N 2.92Å; T117-S120 PolarHBondContact O-OG 3.42Å; T117-E121 HydrophobicContact CG2-CG 4.46Å; T117-E121 WeakPolarHBondContact O-CG 3.24Å; T117-E121 PolarHBondContact O-N 3.22Å
118E97.8Very high97.3Very high72 Ų7248.3 Ų48.334%0.33627%0.271SS..Hα-helixtrans-57-45.3176.6-77.6-179.6163.100111.7A113 A114 T115 S120 E121 W122A113-E118 HydrophobicContact CB-CB 3.72Å; A114-E118 WeakPolarHBondContact CB-OE2 3.25Å; A114-E118 PolarHBondContact N-OE2 2.94Å; T115-E118 PolarHBondContact N-OE2 2.81Å; T115-E118 PolarHBondContact O-N 2.93Å; T115-E118 WeakPolarHBondContact OG1-CB 3.41Å; T115-E118 WeakPolarHBondContact OG1-CG 3.45Å; T115-E118 PolarHBondContact OG1-N 2.93Å; T115-E118 VanDerWaalsContact OG1-N 3.08Å; E118-S120 VanDerWaalsContact C-N 3.32Å; E118-S120 PolarHBondContact O-N 2.79Å; E118-E121 PolarHBondContact O-N 3.25Å; E118-W122 WeakPolarHBondContact O-CB 3.24Å; E118-W122 PolarHBondContact O-N 2.99Å
119K98Very high97.4Very high26 Ų2648.4 Ų48.411%0.11327%0.272CS..Hα-helixtrans-54.5-50.3174.3163.7175.7173.2172.40110.9S89 I90 N98 G99 W100 A113 T115 A116 T117 E121 W122 M123S89-K119 VanDerWaalsContact OG-CE 3.32Å; S89-K119 WeakPolarHBondContact OG-CE 3.16Å; S89-K119 PolarHBondContact OG-NZ 3.03Å; I90-K119 PolarHBondContact O-NZ 3.47Å; I90-K119 VanDerWaalsContact O-NZ 3.12Å; N98-K119 VanDerWaalsContact C-CD 3.44Å; N98-K119 HydrophobicContact CB-CB 4.07Å; N98-K119 HydrophobicContact CB-CD 4.14Å; G99-K119 WeakPolarHBondContact O-CE 3.36Å; G99-K119 PolarHBondContact O-NZ 2.87Å; W100-K119 HydrophobicContact CE3-CB 4.19Å; W100-K119 HydrophobicContact CE3-CD 4.37Å; W100-K119 HydrophobicContact CE3-CG 3.85Å; W100-K119 HydrophobicContact CZ3-CB 3.95Å; W100-K119 HydrophobicContact CZ3-CG 4.14Å; A113-K119 HydrophobicContact CB-CB 4.13Å; T115-K119 PolarHBondContact O-N 2.92Å; T115-K119 VanDerWaalsContact O-N 3.09Å; A116-K119 PolarHBondContact O-N 3.16Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 3.13Å; K119-E121 PolarHBondContact O-N 3.26Å; K119-W122 PolarHBondContact O-N 3.3Å; K119-M123 HydrophobicContact CG-CG 4.48Å; K119-M123 HydrophobicContact CG-SD 3.99Å; K119-M123 WeakPolarHBondContact O-CB 3.34Å; K119-M123 WeakPolarHBondContact O-CG 3.38Å; K119-M123 PolarHBondContact O-N 2.83Å
120S98.1Very high97.3Very high52 Ų5249 Ų4936%0.36428%0.276SS..Hα-helixtrans-63.2-42.8-176.872.80000112A116 T117 E118 M123 N124A116-S120 PolarHBondContact O-N 2.88Å; T117-S120 PolarHBondContact O-N 2.92Å; T117-S120 PolarHBondContact O-OG 3.42Å; E118-S120 VanDerWaalsContact C-N 3.32Å; E118-S120 PolarHBondContact O-N 2.79Å; S120-M123 PolarHBondContact O-N 2.61Å; S120-N124 VanDerWaalsContact O-CB 3.22Å; S120-N124 WeakPolarHBondContact O-CB 3.43Å; S120-N124 PolarHBondContact O-N 2.87Å; S120-N124 PolarHBondContact O-ND2 3.47Å; S120-N124 VanDerWaalsContact O-ND2 3.16Å
121E98.1Very high97.2Very high102 Ų10252.9 Ų52.948%0.47730%0.299SS..Hα-helixtrans-65.3-45.6178.4-70.9179.9162.900111.8T117 E118 K119 N124 H125T117-E121 HydrophobicContact CG2-CG 4.46Å; T117-E121 WeakPolarHBondContact O-CG 3.24Å; T117-E121 PolarHBondContact O-N 3.22Å; E118-E121 PolarHBondContact O-N 3.25Å; K119-E121 PolarHBondContact O-N 3.26Å; E121-N124 PolarHBondContact O-N 2.84Å; E121-H125 WeakPolarHBondContact O-CB 3.35Å; E121-H125 VanDerWaalsContact O-CG 3.22Å; E121-H125 PolarHBondContact O-N 3.12Å; E121-H125 PolarHBondContact O-ND1 2.91Å
122W98.4Very high97.1Very high22 Ų2255.9 Ų55.98%0.08332%0.315CS..Hα-helixtrans-59-50.4175.7-88.9100.1000111.7L42 F55 L57 L62 W100 E118 K119 N124 H125 I126L42-W122 HydrophobicContact CD1-CD2 4.29Å; F55-W122 HydrophobicContact CB-CH2 3.69Å; F55-W122 HydrophobicContact CB-CZ2 4.2Å; F55-W122 HydrophobicContact CB-CZ3 4.24Å; L57-W122 HydrophobicContact CB-CE3 4.41Å; L57-W122 HydrophobicContact CB-CH2 4.15Å; L57-W122 HydrophobicContact CB-CZ3 3.64Å; L62-W122 HydrophobicContact CD1-CZ3 4.04Å; W100-W122 HydrophobicContact CH2-CB 3.84Å; W100-W122 HydrophobicContact CH2-CG 4.1Å; W100-W122 HydrophobicContact CZ2-CB 3.7Å; W100-W122 HydrophobicContact CZ2-CG 4.12Å; E118-W122 WeakPolarHBondContact O-CB 3.24Å; E118-W122 PolarHBondContact O-N 2.99Å; K119-W122 PolarHBondContact O-N 3.3Å; W122-N124 PolarHBondContact O-N 3.3Å; W122-H125 PolarHBondContact O-N 2.67Å; W122-I126 HydrophobicContact CE3-CD1 4.29Å; W122-I126 WeakPolarHBondContact O-CB 3.34Å; W122-I126 WeakPolarHBondContact O-CG1 3.46Å; W122-I126 PolarHBondContact O-N 2.95Å
123M98.4Very high96.9Very high26 Ų2656.7 Ų56.713%0.12832%0.32CS..Hα-helixtrans-62.7-43.2-179.9-71-17375.300111.8I87 W100 K119 S120 I126 N127I87-M123 HydrophobicContact CD1-CB 3.83Å; I87-M123 HydrophobicContact CD1-CE 3.99Å; I87-M123 HydrophobicContact CD1-CG 3.98Å; I87-M123 WeakPolarHBondContact CD1-O 3.27Å; I87-M123 HydrophobicContact CG1-CE 4.48Å; W100-M123 HydrophobicContact CB-CE 4.03Å; W100-M123 HydrophobicContact CB-CG 4.23Å; W100-M123 HydrophobicContact CB-SD 3.67Å; W100-M123 HydrophobicContact CD2-CG 4.03Å; W100-M123 HydrophobicContact CD2-SD 4.42Å; W100-M123 HydrophobicContact CG-CG 3.88Å; W100-M123 HydrophobicContact CG-SD 3.98Å; K119-M123 HydrophobicContact CG-CG 4.48Å; K119-M123 HydrophobicContact CG-SD 3.99Å; K119-M123 WeakPolarHBondContact O-CB 3.34Å; K119-M123 WeakPolarHBondContact O-CG 3.38Å; K119-M123 PolarHBondContact O-N 2.83Å; S120-M123 PolarHBondContact O-N 2.61Å; M123-I126 PolarHBondContact O-N 3.49Å; M123-N127 WeakPolarHBondContact O-CB 3.39Å; M123-N127 PolarHBondContact O-N 2.95Å; M123-N127 PolarHBondContact O-ND2 3.4Å
124N98.1Very high96.5Very high103 Ų10357.3 Ų57.355%0.55132%0.322SS*.Hα-helixtrans-63.9-45.2178.8-72.3-19000111.9S120 E121 W122 N127 K128S120-N124 VanDerWaalsContact O-CB 3.22Å; S120-N124 WeakPolarHBondContact O-CB 3.43Å; S120-N124 PolarHBondContact O-N 2.87Å; S120-N124 PolarHBondContact O-ND2 3.47Å; S120-N124 VanDerWaalsContact O-ND2 3.16Å; E121-N124 PolarHBondContact O-N 2.84Å; W122-N124 PolarHBondContact O-N 3.3Å; N124-N127 PolarHBondContact O-N 3.43Å; N124-K128 VanDerWaalsContact O-CB 3.3Å; N124-K128 WeakPolarHBondContact O-CB 3.37Å; N124-K128 PolarHBondContact O-N 3.21Å
125H98.1Very high96.4Very high79 Ų7957.7 Ų57.737%0.36632%0.32SS..Hα-helixtrans-65.6-41.7177.7-67.8151.9000112.2I37 L57 E121 W122 K128 C129I37-H125 HydrophobicContact CG2-CB 4.12Å; L57-H125 HydrophobicContact CD2-CB 3.44Å; L57-H125 VanDerWaalsContact CD2-CB 3.44Å; E121-H125 WeakPolarHBondContact O-CB 3.35Å; E121-H125 VanDerWaalsContact O-CG 3.22Å; E121-H125 PolarHBondContact O-N 3.12Å; E121-H125 PolarHBondContact O-ND1 2.91Å; W122-H125 PolarHBondContact O-N 2.67Å; H125-K128 PolarHBondContact O-N 2.97Å; H125-C129 WeakPolarHBondContact O-CB 3.48Å; H125-C129 PolarHBondContact O-N 3.14Å; H125-C129 PolarHBondContact O-SG 3.44Å
126I97.8Very high96Very high1 Ų162.1 Ų62.11%0.00534%0.335CS..Hα-helixtrans-59.9-52.6175.3-68.8167.4000109.9L57 V85 I87 W122 M123 K128 C129 V130L57-I126 HydrophobicContact CD1-CG1 3.95Å; L57-I126 HydrophobicContact CD2-CG1 4.04Å; V85-I126 HydrophobicContact CG1-CG2 4.21Å; I87-I126 HydrophobicContact CD1-CB 4.13Å; I87-I126 HydrophobicContact CD1-CG2 4.05Å; I87-I126 HydrophobicContact CG1-CG2 4.4Å; I87-I126 HydrophobicContact CG2-CG2 4.07Å; W122-I126 HydrophobicContact CE3-CD1 4.29Å; W122-I126 WeakPolarHBondContact O-CB 3.34Å; W122-I126 WeakPolarHBondContact O-CG1 3.46Å; W122-I126 PolarHBondContact O-N 2.95Å; M123-I126 PolarHBondContact O-N 3.49Å; I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 2.68Å; I126-C129 PolarHBondContact O-N 3.48Å; I126-V130 HydrophobicContact CG2-CG2 4.21Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 3.42Å
127N96.9Very high95.6Very high72 Ų7262 Ų6239%0.38533%0.329SS..Hα-helixtrans-58.5-41.6-179.4-79.6-29.9000112.2I87 M123 N124 T131I87-N127 WeakPolarHBondContact CD1-OD1 3.31Å; I87-N127 WeakPolarHBondContact CG1-OD1 3.47Å; M123-N127 WeakPolarHBondContact O-CB 3.39Å; M123-N127 PolarHBondContact O-N 2.95Å; M123-N127 PolarHBondContact O-ND2 3.4Å; N124-N127 PolarHBondContact O-N 3.43Å; N127-T131 VanDerWaalsContact O-CB 3.32Å; N127-T131 WeakPolarHBondContact O-CB 3.29Å; N127-T131 PolarHBondContact O-N 3.09Å; N127-T131 PolarHBondContact O-OG1 3.4Å
128K96.4Very high95Very high121 Ų12161.3 Ų61.353%0.52634%0.34SS..Hα-helixtrans-62.2-50.6176.8-176.4175.1-177.8173.20111.6N124 H125 I126 V130 T131 D132N124-K128 VanDerWaalsContact O-CB 3.3Å; N124-K128 WeakPolarHBondContact O-CB 3.37Å; N124-K128 PolarHBondContact O-N 3.21Å; H125-K128 PolarHBondContact O-N 2.97Å; I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 2.68Å; K128-V130 PolarHBondContact O-N 3.43Å; K128-T131 PolarHBondContact O-N 3.46Å; K128-D132 WeakPolarHBondContact O-CB 3.22Å; K128-D132 VanDerWaalsContact O-CG 3.27Å; K128-D132 PolarHBondContact O-N 3.47Å
129C96.6Very high94.4Very high9 Ų963 Ų636%0.06135%0.346CS..Hα-helixtrans-61.5-43.2179.1-68.10000112L82 H125 I126 D132 L133L82-C129 HydrophobicContact CD1-CB 3.53Å; H125-C129 WeakPolarHBondContact O-CB 3.48Å; H125-C129 PolarHBondContact O-N 3.14Å; H125-C129 PolarHBondContact O-SG 3.44Å; I126-C129 PolarHBondContact O-N 3.48Å; C129-D132 PolarHBondContact O-N 2.92Å; C129-L133 WeakPolarHBondContact O-CB 3.34Å; C129-L133 WeakPolarHBondContact O-CG 3.34Å; C129-L133 PolarHBondContact O-N 2.64Å
130V95.2Very high93.6Very high18 Ų1867.5 Ų67.511%0.10938%0.375CS..Hα-helixtrans-60.5-47.5175.6174.10000110.8L82 I126 K128 D132 L133 L134L82-V130 HydrophobicContact CB-CG2 4.1Å; L82-V130 WeakPolarHBondContact O-CG2 3.12Å; I126-V130 HydrophobicContact CG2-CG2 4.21Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 3.42Å; K128-V130 PolarHBondContact O-N 3.43Å; V130-D132 PolarHBondContact O-N 3.18Å; V130-L133 PolarHBondContact O-N 3.43Å; V130-L134 HydrophobicContact CG1-CD1 3.85Å; V130-L134 HydrophobicContact CG1-CG 4.3Å; V130-L134 VanDerWaalsContact O-CG 3.3Å; V130-L134 WeakPolarHBondContact O-CG 3.31Å; V130-L134 PolarHBondContact O-N 3.36Å
131T94.4Very high92.6Very high87 Ų8768.6 Ų68.653%0.53438%0.381SS..Hα-helixtrans-59.5-48.3179.2-57.70000111.4N127 K128 L133 L134 S135N127-T131 VanDerWaalsContact O-CB 3.32Å; N127-T131 WeakPolarHBondContact O-CB 3.29Å; N127-T131 PolarHBondContact O-N 3.09Å; N127-T131 PolarHBondContact O-OG1 3.4Å; K128-T131 PolarHBondContact O-N 3.46Å; T131-L133 VanDerWaalsContact C-N 3.31Å; T131-L133 PolarHBondContact O-N 3.37Å; T131-L134 PolarHBondContact O-N 3.06Å; T131-S135 WeakPolarHBondContact O-CB 3.47Å; T131-S135 PolarHBondContact O-N 2.97Å; T131-S135 PolarHBondContact O-OG 2.89Å
132D93.9Very high91.6Very high63 Ų6365 Ų6534%0.33737%0.368SS..Hα-helixtrans-62.9-35.7179.7-70.2-12.8000112.3K128 C129 V130 S135 K136K128-D132 WeakPolarHBondContact O-CB 3.22Å; K128-D132 VanDerWaalsContact O-CG 3.27Å; K128-D132 PolarHBondContact O-N 3.47Å; C129-D132 PolarHBondContact O-N 2.92Å; V130-D132 PolarHBondContact O-N 3.18Å; D132-S135 PolarHBondContact O-OG 3.28Å; D132-K136 WeakPolarHBondContact O-CB 3.34Å; D132-K136 VanDerWaalsContact O-CG 3.23Å; D132-K136 WeakPolarHBondContact O-CG 3.4Å; D132-K136 PolarHBondContact O-N 3.2Å
133L93.4Very high90.6Very high41 Ų4171.2 Ų71.222%0.21540%0.403CS..Hα-helixtrans-70.3-44.9176.3-73.3167.4000112.1N59 D60 L82 C129 V130 T131 K136 S137N59-L133 WeakPolarHBondContact O-CD1 3.35Å; N59-L133 WeakPolarHBondContact O-CG 3.25Å; D60-L133 HydrophobicContact CB-CD2 4.18Å; L82-L133 HydrophobicContact CB-CD1 3.56Å; L82-L133 HydrophobicContact CD1-CD1 4.33Å; C129-L133 WeakPolarHBondContact O-CB 3.34Å; C129-L133 WeakPolarHBondContact O-CG 3.34Å; C129-L133 PolarHBondContact O-N 2.64Å; V130-L133 PolarHBondContact O-N 3.43Å; T131-L133 VanDerWaalsContact C-N 3.31Å; T131-L133 PolarHBondContact O-N 3.37Å; L133-K136 PolarHBondContact O-N 3.08Å; L133-S137 WeakPolarHBondContact O-CB 3.19Å; L133-S137 PolarHBondContact O-N 3.31Å; L133-S137 PolarHBondContact O-OG 3.09Å
134L91.3Very high90Very high22 Ų2275.4 Ų75.412%0.11542%0.422CS..Hα-helixtrans-66.2-40.7-179.7-66.9178.1000110.6V130 T131 K136 S137 G138 K139 P141V130-L134 HydrophobicContact CG1-CD1 3.85Å; V130-L134 HydrophobicContact CG1-CG 4.3Å; V130-L134 VanDerWaalsContact O-CG 3.3Å; V130-L134 WeakPolarHBondContact O-CG 3.31Å; V130-L134 PolarHBondContact O-N 3.36Å; T131-L134 PolarHBondContact O-N 3.06Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 3.02Å; L134-S137 PolarHBondContact O-N 3.23Å; L134-S137 PolarHBondContact O-OG 2.99Å; L134-G138 PolarHBondContact O-N 3.17Å; L134-K139 HydrophobicContact CD2-CB 4.05Å; L134-P141 HydrophobicContact CD1-CB 4.22Å; L134-P141 HydrophobicContact CD1-CG 3.74Å
135S91.7Very high89.6Confident90 Ų9073.1 Ų73.163%0.62941%0.407SS*.Hα-helixtrans-63.3-36175.768.20000112.7T131 D132T131-S135 WeakPolarHBondContact O-CB 3.47Å; T131-S135 PolarHBondContact O-N 2.97Å; T131-S135 PolarHBondContact O-OG 2.89Å; D132-S135 PolarHBondContact O-OG 3.28Å
136K89.7Confident89.4Confident154 Ų15469.7 Ų69.767%0.6739%0.393SS*.Hα-helixtrans-76.8-31.5178.3-74.7176.1-179.7-174.50113.4D3 D132 L133 L134D3-K136 IonicContact OD1-NZ 3.88Å; D132-K136 WeakPolarHBondContact O-CB 3.34Å; D132-K136 VanDerWaalsContact O-CG 3.23Å; D132-K136 WeakPolarHBondContact O-CG 3.4Å; D132-K136 PolarHBondContact O-N 3.2Å; L133-K136 PolarHBondContact O-N 3.08Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 3.02Å
137S88.4Confident89.2Confident58 Ų5870.7 Ų70.741%0.40640%0.402SS..Hα-helixtrans-94.2-15.8-175.760.40000114.2L133 L134 K139L133-S137 WeakPolarHBondContact O-CB 3.19Å; L133-S137 PolarHBondContact O-N 3.31Å; L133-S137 PolarHBondContact O-OG 3.09Å; L134-S137 PolarHBondContact O-N 3.23Å; L134-S137 PolarHBondContact O-OG 2.99Å; S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 PolarHBondContact OG-N 3.37Å
138G85.1Confident89Confident70 Ų7069.9 Ų69.972%0.72240%0.399SS*.THydrogen-bonded Turntrans68.69.8-173.500000113.8L134L134-G138 PolarHBondContact O-N 3.17Å
139K84.2Confident89Confident107 Ų10768.3 Ų68.347%0.46539%0.39SS..PPolyproline II helixtrans-80.8152.3178.6-67-179.3-177.6176.70111E83 L134 S137E83-K139 VanDerWaalsContact CD-NZ 3.32Å; E83-K139 IonicContact OE1-NZ 2.69Å; E83-K139 PolarHBondContact OE1-NZ 2.96Å; E83-K139 IonicContact OE2-NZ 3.26Å; E83-K139 PolarHBondContact OE2-NZ 3.41Å; L134-K139 HydrophobicContact CD2-CB 4.05Å; S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 PolarHBondContact OG-N 3.37Å
140T81.1Confident88.8Confident120 Ų12069.2 Ų69.274%0.73640%0.395SS*.PPolyproline II helixtrans-86.2153.1169.656.40000111.1
141P77.1Confident88.6Confident75 Ų7569.4 Ų69.449%0.48740%0.396SS..PPolyproline II helixtrans-54.2141.2171.2-21.329.8000111.9L134 N143L134-P141 HydrophobicContact CD1-CB 4.22Å; L134-P141 HydrophobicContact CD1-CG 3.74Å; P141-N143 PolarHBondContact O-N 3.34Å
142S78.1Confident88.5Confident27 Ų2766.6 Ų66.619%0.18938%0.378CS..PPolyproline II helixtrans-69.9126.8171.91790000110.3E144 H145S142-E144 PolarHBondContact OG-N 3.11Å; S142-E144 PolarHBondContact OG-O 3.38Å; S142-H145 PolarHBondContact O-CE1 3.24Å; S142-H145 PolarHBondContact O-NE2 3.19Å
143N77.8Confident88.3Confident153 Ų15368 Ų6882%0.81839%0.393SS*.  trans-97-3.2172.2-73.8-19000112.7P141P141-N143 PolarHBondContact O-N 3.34Å
144E84.4Confident88.1Confident114 Ų11471.9 Ų71.953%0.53341%0.41SS..  trans-97.6117.3180-166.1-171.6156.700110.6P105 S142 S195P105-E144 WeakPolarHBondContact CA-O 3.08Å; S142-E144 PolarHBondContact OG-N 3.11Å; S142-E144 PolarHBondContact OG-O 3.38Å; E144-S195 WeakPolarHBondContact OE1-CB 3.34Å; E144-S195 PolarHBondContact OE1-OG 3.47Å
145H91Very high88.2Confident54 Ų5471 Ų7125%0.2541%0.406CS..  trans-132.4144179.7-54.7-44.6000111.4T86 K103 T104 S142T86-H145 WeakPolarHBondContact CG2-NE2 3.3Å; T86-H145 PolarHBondContact OG1-CD2 2.78Å; T86-H145 PolarHBondContact OG1-CE1 2.75Å; T86-H145 VanDerWaalsContact OG1-CE1 3.3Å; T86-H145 PolarHBondContact OG1-NE2 3.3Å; K103-H145 HydrophobicContact CB-CB 4.09Å; T104-H145 WeakPolarHBondContact O-CA 3.41Å; S142-H145 PolarHBondContact O-CE1 3.24Å; S142-H145 PolarHBondContact O-NE2 3.19Å
146A93.3Very high88.4Confident8 Ų871.3 Ų71.37%0.06640%0.404CS..PPolyproline II helixtrans-63.5148.216600000110T104 S108 Q196T104-A146 PolarHBondContact O-N 3.28Å; S108-A146 WeakPolarHBondContact CB-O 3.38Å; S108-A146 PolarHBondContact OG-O 3.18Å; A146-Q196 HydrophobicContact CB-CG 4.15Å
147A93.8Very high88.7Confident22 Ų2265.4 Ų65.418%0.18238%0.381CS..PPolyproline II helixtrans-65.8145.9175.400000111.9K177A147-K177 WeakPolarHBondContact CB-O 3.27Å
148V93.4Very high89.2Confident54 Ų5462.7 Ų62.733%0.32736%0.362SS..BIsolated β-bridgetrans-73.9128165.7-177.10000107.5L101L101-V148 HydrophobicContact CD1-CG2 4.39Å; L101-V148 HydrophobicContact CD2-CG1 4.22Å; L101-V148 HydrophobicContact CD2-CG2 3.79Å
149W94.5Very high89.8Confident88 Ų8861.3 Ų61.333%0.33334%0.337SS..PPolyproline II helixtrans-78.8135.1179.7-71.913.3000110.8R47 H174 R176 G179R47-W149 HydrophobicContact CB-CE3 4.48Å; W149-H174 HydrophobicContact CD2-CB 3.63Å; W149-H174 AromaticContact CD2-CD2 3.86Å; W149-H174 AromaticContact CD2-CG 3.67Å; W149-H174 HydrophobicContact CE3-CB 3.62Å; W149-H174 AromaticContact CE3-CD2 3.73Å; W149-H174 AromaticContact CE3-CG 3.33Å; W149-H174 AromaticContact CE3-ND1 3.55Å; W149-H174 HydrophobicContact CG-CB 4.24Å; W149-H174 AromaticContact CG-CD2 3.89Å; W149-H174 HydrophobicContact CH2-CB 4.06Å; W149-H174 HydrophobicContact CZ2-CB 4.06Å; W149-H174 HydrophobicContact CZ3-CB 3.83Å; W149-H174 AromaticContact CZ3-CG 3.81Å; W149-H174 AromaticContact CZ3-ND1 3.75Å; W149-R176 HydrophobicContact CZ2-CG 4.23Å; W149-G179 WeakPolarHBondContact CA-O 3.28Å
150V92.5Very high90.4Very high29 Ų2959.5 Ų59.518%0.17633%0.328CS..PPolyproline II helixtrans-67.8130.5172.1-174.50000109.1E154 M159 H174 G179 F180 V181V150-E154 HydrophobicContact CG1-CB 3.97Å; V150-M159 HydrophobicContact CB-CE 4.07Å; V150-M159 HydrophobicContact CB-SD 4.32Å; V150-M159 HydrophobicContact CG1-CE 3.53Å; V150-M159 HydrophobicContact CG1-SD 4.41Å; V150-M159 HydrophobicContact CG2-CE 4.29Å; V150-M159 HydrophobicContact CG2-SD 4.18Å; V150-H174 PolarHBondContact O-NE2 2.96Å; V150-G179 PolarHBondContact N-O 2.87Å; V150-F180 HydrophobicContact CG2-CD1 4.25Å; V150-V181 HydrophobicContact CB-CG2 4.09Å
151P91.7Very high91.2Very high21 Ų2155.8 Ų55.814%0.13631%0.306CS..PPolyproline II helixtrans-56.1144.8175.2-29.639.2000113.3S153 E154P151-S153 PolarHBondContact O-N 2.89Å; P151-E154 HydrophobicContact CB-CG 4.31Å; P151-E154 VanDerWaalsContact CG-OE1 3.27Å; P151-E154 WeakPolarHBondContact CG-OE1 3.24Å; P151-E154 PolarHBondContact O-N 3.18Å; P151-E154 VanDerWaalsContact O-N 3.12Å
152D92.2Very high92.1Very high28 Ų2857.2 Ų57.215%0.1531%0.306CS..G310 helixtrans-60.2-32.9-179.5-72.5-28.2000111.9R47 E154 A155 R172 H174R47-D152 WeakPolarHBondContact O-CB 3.41Å; R47-D152 PolarHBondContact O-N 3.01Å; D152-E154 VanDerWaalsContact C-N 3.29Å; D152-E154 PolarHBondContact O-N 2.94Å; D152-A155 PolarHBondContact O-N 3.4Å; D152-R172 PolarHBondContact O-NE 3.01Å; D152-R172 PolarHBondContact O-NH2 3.38Å; D152-R172 WeakPolarHBondContact OD1-CD 3.48Å; D152-H174 IonicContact OD1-CE1 3.13Å; D152-H174 PolarHBondContact OD1-CE1 3.41Å; D152-H174 IonicContact OD1-NE2 3.75Å
153S88.9Confident93Very high94 Ų9464.7 Ų64.766%0.65734%0.335SS*.G310 helixtrans-67.9-27.217948.20000113.3P151 A155P151-S153 PolarHBondContact O-N 2.89Å; S153-A155 VanDerWaalsContact C-N 3.34Å
154E89.4Confident93.9Very high122 Ų12258.6 Ų58.657%0.5731%0.306SS*.G310 helixtrans-85.8-10.4179.5-69.2169.6-144.700112.1V150 P151 D152V150-E154 HydrophobicContact CG1-CB 3.97Å; P151-E154 HydrophobicContact CB-CG 4.31Å; P151-E154 VanDerWaalsContact CG-OE1 3.27Å; P151-E154 WeakPolarHBondContact CG-OE1 3.24Å; P151-E154 PolarHBondContact O-N 3.18Å; P151-E154 VanDerWaalsContact O-N 3.12Å; D152-E154 VanDerWaalsContact C-N 3.29Å; D152-E154 PolarHBondContact O-N 2.94Å
155A93.5Very high94.5Very high2 Ų260.8 Ų60.82%0.01731%0.314CS..  trans-11596.2-178.700000111.3D152 S153 M159 F166 R172 V181D152-A155 PolarHBondContact O-N 3.4Å; S153-A155 VanDerWaalsContact C-N 3.34Å; A155-M159 HydrophobicContact CB-CE 3.58Å; A155-F166 HydrophobicContact CB-CE2 4.28Å; A155-F166 WeakPolarHBondContact O-CD2 3.32Å; A155-R172 VanDerWaalsContact O-CZ 3.27Å; A155-R172 PolarHBondContact O-NE 3.44Å; A155-R172 PolarHBondContact O-NH2 3.33Å; A155-V181 HydrophobicContact CB-CB 3.49Å; A155-V181 VanDerWaalsContact CB-CB 3.49Å; A155-V181 HydrophobicContact CB-CG1 3.89Å; A155-V181 HydrophobicContact CB-CG2 3.46Å; A155-V181 VanDerWaalsContact CB-CG2 3.46Å
156T95.6Very high94.8Very high97 Ų9759 Ų5960%0.59531%0.306SS*.SBendtrans-85.7-24.6172.556.50000112.4F166T156-F166 PolarHBondContact O-N 2.87Å
157V97.4Very high94.9Very high31 Ų3161.9 Ų61.919%0.18832%0.322CS..BIsolated β-bridgetrans-128.8158.1178.6-64.80000111.8M159 A164 K165 F166V157-M159 PolarHBondContact O-N 3.06Å; V157-A164 CarbonylContact C-O 3.53Å; V157-A164 WeakPolarHBondContact CA-O 3.38Å; V157-K165 HydrophobicContact CG1-CG 3.9Å; V157-F166 WeakPolarHBondContact O-CE2 3.24Å
158C98.1Very high94.8Very high0 Ų066.4 Ų66.40%035%0.35CS..  trans-61.2121.7175.41760000111.4R160 C161 Q162 A164 F166 C183C158-R160 PolarHBondContact O-N 2.91Å; C158-C161 VanDerWaalsContact SG-SG 3.67Å; C158-Q162 VanDerWaalsContact O-CA 3.22Å; C158-Q162 WeakPolarHBondContact O-CA 3.28Å; C158-Q162 PolarHBondContact O-N 3.03Å; C158-A164 HydrophobicContact CB-CB 4.05Å; C158-A164 PolarHBondContact N-O 3.46Å; C158-F166 HydrophobicContact CB-CZ 4.04Å; C158-C183 HydrophobicContact CB-CB 4.16Å; C158-C183 PolarHBondContact SG-N 2.95Å; C158-C183 VanDerWaalsContact SG-SG 3.62Å
159M97.7Very high94.7Very high42 Ų4270.4 Ų70.421%0.20737%0.374CS..THydrogen-bonded Turntrans-72.72.6-178.4-65.4171.2168.500114.4V150 A155 V157 F180 V181V150-M159 HydrophobicContact CB-CE 4.07Å; V150-M159 HydrophobicContact CB-SD 4.32Å; V150-M159 HydrophobicContact CG1-CE 3.53Å; V150-M159 HydrophobicContact CG1-SD 4.41Å; V150-M159 HydrophobicContact CG2-CE 4.29Å; V150-M159 HydrophobicContact CG2-SD 4.18Å; A155-M159 HydrophobicContact CB-CE 3.58Å; V157-M159 PolarHBondContact O-N 3.06Å; M159-F180 HydrophobicContact CB-CB 4.07Å; M159-F180 HydrophobicContact CB-CD2 4.18Å; M159-F180 HydrophobicContact CB-CG 4.22Å; M159-F180 HydrophobicContact SD-CB 4Å; M159-F180 HydrophobicContact SD-CD1 4.26Å; M159-F180 HydrophobicContact SD-CG 4.19Å; M159-V181 WeakPolarHBondContact CB-O 3.33Å; M159-V181 HydrophobicContact CE-CG2 4.37Å; M159-V181 PolarHBondContact N-O 3.43Å; M159-V181 HydrophobicContact SD-CB 4.12Å; M159-V181 HydrophobicContact SD-CG2 4.23Å; M159-V181 PolarHBondContact SD-N 3.38Å
160R97Very high94.8Very high69 Ų6968.5 Ų68.526%0.2637%0.37SS..THydrogen-bonded Turntrans-104.5-61.8173.8-71.4-66.2-179.3-170.9-0.1111.8C158 C178 V182 C186 C204 F206 C207C158-R160 PolarHBondContact O-N 2.91Å; R160-C178 PolarHBondContact NH2-SG 3.45Å; R160-V182 HydrophobicContact CB-CG1 4.27Å; R160-V182 HydrophobicContact CG-CG1 3.49Å; R160-V182 VanDerWaalsContact CG-CG1 3.49Å; R160-C186 HydrophobicContact CB-CB 3.92Å; R160-C186 HydrophobicContact CG-CB 4.45Å; R160-C204 HydrophobicContact CG-CB 4.02Å; R160-C204 PolarHBondContact NE-SG 3.33Å; R160-C204 PolarHBondContact NH2-SG 3Å; R160-F206 VanDerWaalsContact NH1-CG 3.29Å; R160-C207 PolarHBondContact NH2-SG 2.85Å
161C97.2Very high94.9Very high42 Ų4275.6 Ų75.628%0.28439%0.394SS..THydrogen-bonded Turntrans-84.4-16.9-177.667.60000113.7C158 K163C158-C161 VanDerWaalsContact SG-SG 3.67Å; C161-K163 VanDerWaalsContact O-CG 3.31Å; C161-K163 WeakPolarHBondContact O-CG 3.36Å; C161-K163 PolarHBondContact O-N 3.32Å
162Q96.9Very high95.1Very high104 Ų10478.9 Ų78.949%0.48640%0.403SS..SBendtrans555.3-174-58.1-64.9-8.900115.4C158C158-Q162 VanDerWaalsContact O-CA 3.22Å; C158-Q162 WeakPolarHBondContact O-CA 3.28Å; C158-Q162 PolarHBondContact O-N 3.03Å
163K96.5Very high95.3Very high185 Ų18580 Ų8080%0.80441%0.408SS*.  trans-100.9-39.4-176.5-69.6167.1-174.2-172.90112.4C161 K165C161-K163 VanDerWaalsContact O-CG 3.31Å; C161-K163 WeakPolarHBondContact O-CG 3.36Å; C161-K163 PolarHBondContact O-N 3.32Å; K163-K165 PolarHBondContact O-N 3.41Å
164A97.1Very high95.7Very high25 Ų2576 Ų7621%0.20738%0.378CS..  trans-82.1111.5-173.200000111.4V157 C158 C183V157-A164 CarbonylContact C-O 3.53Å; V157-A164 WeakPolarHBondContact CA-O 3.38Å; C158-A164 HydrophobicContact CB-CB 4.05Å; C158-A164 PolarHBondContact N-O 3.46Å; A164-C183 HydrophobicContact CB-CB 4.05Å
165K97.6Very high96.1Very high159 Ų15970.1 Ų70.169%0.69135%0.351SS*.BIsolated β-bridgetrans-74.3136169.9-67.5-177.8-179.7-177.70110.7V157 K163 N170V157-K165 HydrophobicContact CG1-CG 3.9Å; K163-K165 PolarHBondContact O-N 3.41Å; K165-N170 PolarHBondContact O-ND2 3.08Å
166F97.1Very high96.3Very high18 Ų1873.2 Ų73.28%0.07936%0.362CS..  trans-82.1131.7179-66.4-59.8000111.8A155 T156 V157 C158 N170 R172 V181 C183A155-F166 HydrophobicContact CB-CE2 4.28Å; A155-F166 WeakPolarHBondContact O-CD2 3.32Å; T156-F166 PolarHBondContact O-N 2.87Å; V157-F166 WeakPolarHBondContact O-CE2 3.24Å; C158-F166 HydrophobicContact CB-CZ 4.04Å; F166-N170 WeakPolarHBondContact CA-O 3.38Å; F166-R172 HydrophobicContact CB-CG 3.89Å; F166-R172 HydrophobicContact CD1-CB 4.4Å; F166-R172 HydrophobicContact CD1-CG 3.64Å; F166-R172 HydrophobicContact CD2-CG 3.66Å; F166-R172 HydrophobicContact CE1-CB 4.45Å; F166-R172 HydrophobicContact CE1-CG 4.01Å; F166-R172 HydrophobicContact CE2-CG 3.99Å; F166-R172 HydrophobicContact CG-CG 3.46Å; F166-R172 VanDerWaalsContact CG-CG 3.46Å; F166-R172 HydrophobicContact CZ-CG 4.16Å; F166-V181 HydrophobicContact CD2-CG1 4.41Å; F166-V181 HydrophobicContact CE2-CB 4.21Å; F166-V181 HydrophobicContact CE2-CG1 3.58Å; F166-V181 HydrophobicContact CZ-CB 4.41Å; F166-V181 HydrophobicContact CZ-CG1 3.67Å; F166-C183 HydrophobicContact CE1-CB 4.16Å
167T94.3Very high96.3Very high67 Ų6771.8 Ų71.841%0.41135%0.348SS..  trans-138.3174.318069.40000109.4V169 N170T167-V169 PolarHBondContact O-N 3.12Å; T167-V169 VanDerWaalsContact O-N 3.16Å; T167-V169 PolarHBondContact OG1-N 3.14Å; T167-N170 PolarHBondContact N-O 2.81Å; T167-N170 CarbonylContact O-C 3.23Å; T167-N170 VanDerWaalsContact O-C 3.23Å; T167-N170 PolarHBondContact O-N 2.76Å; T167-N170 PolarHBondContact OG1-N 2.86Å
168P91.4Very high96.2Very high118 Ų11871.6 Ų71.677%0.76635%0.348SS*.SBendtrans-56.3-28.4173.6-28.337.4000114R171P168-R171 WeakPolarHBondContact O-CG 3.49Å; P168-R171 PolarHBondContact O-NE 2.85Å
169V92.9Very high96.1Very high138 Ų13871.6 Ų71.684%0.83635%0.348SS*.SBendtrans-85.9-50.1176.4-176.20000110.8T167 R171T167-V169 PolarHBondContact O-N 3.12Å; T167-V169 VanDerWaalsContact O-N 3.16Å; T167-V169 PolarHBondContact OG1-N 3.14Å; V169-R171 PolarHBondContact O-N 3.47Å; V169-R171 VanDerWaalsContact O-N 3.17Å
170N94.8Very high96.1Very high48 Ų4872.9 Ų72.926%0.25735%0.352SS..SBendtrans-86.885.8174.6-174.432.2000110.7K165 F166 T167K165-N170 PolarHBondContact O-ND2 3.08Å; F166-N170 WeakPolarHBondContact CA-O 3.38Å; T167-N170 PolarHBondContact N-O 2.81Å; T167-N170 CarbonylContact O-C 3.23Å; T167-N170 VanDerWaalsContact O-C 3.23Å; T167-N170 PolarHBondContact O-N 2.76Å; T167-N170 PolarHBondContact OG1-N 2.86Å
171R95.2Very high96.1Very high178 Ų17869.6 Ų69.667%0.67234%0.34SS*.  trans-74.8150.4-170.8-66-178.6167.1-172.7-3.1113.1P168 V169P168-R171 WeakPolarHBondContact O-CG 3.49Å; P168-R171 PolarHBondContact O-NE 2.85Å; V169-R171 PolarHBondContact O-N 3.47Å; V169-R171 VanDerWaalsContact O-N 3.17Å
172R96.8Very high96.2Very high89 Ų8967.6 Ų67.634%0.33633%0.326SS..  trans-73.7141.9173.3-69.7178.8-18082.7-2111.9D152 A155 F166 V181D152-R172 PolarHBondContact O-NE 3.01Å; D152-R172 PolarHBondContact O-NH2 3.38Å; D152-R172 WeakPolarHBondContact OD1-CD 3.48Å; A155-R172 VanDerWaalsContact O-CZ 3.27Å; A155-R172 PolarHBondContact O-NE 3.44Å; A155-R172 PolarHBondContact O-NH2 3.33Å; F166-R172 HydrophobicContact CB-CG 3.89Å; F166-R172 HydrophobicContact CD1-CB 4.4Å; F166-R172 HydrophobicContact CD1-CG 3.64Å; F166-R172 HydrophobicContact CD2-CG 3.66Å; F166-R172 HydrophobicContact CE1-CB 4.45Å; F166-R172 HydrophobicContact CE1-CG 4.01Å; F166-R172 HydrophobicContact CE2-CG 3.99Å; F166-R172 HydrophobicContact CG-CG 3.46Å; F166-R172 VanDerWaalsContact CG-CG 3.46Å; F166-R172 HydrophobicContact CZ-CG 4.16Å; R172-V181 HydrophobicContact CB-CG1 3.64Å; R172-V181 HydrophobicContact CG-CG1 3.63Å
173H96.9Very high96.2Very high51 Ų5162.8 Ų62.824%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-133147.3168.6-53.7-59.8000110.8V181 V182 G184H173-V181 CarbonylContact O-C 3.57Å; H173-V181 VanDerWaalsContact O-CA 3.31Å; H173-V181 WeakPolarHBondContact O-CA 3.26Å; H173-V182 HydrophobicContact CB-CG2 4.23Å; H173-V182 WeakPolarHBondContact CB-O 3.43Å; H173-V182 PolarHBondContact N-O 3.48Å; H173-V182 WeakPolarHBondContact O-CG2 3.44Å; H173-V182 PolarHBondContact O-N 3.16Å; H173-G184 PolarHBondContact CD2-N 2.69Å
174H96.9Very high96.3Very high10 Ų1055 Ų555%0.04628%0.276CS..EExtended strand (participates in β ladder)trans-101.8132.1173.9-66.684.1000111.4W149 V150 D152 R176 F180W149-H174 HydrophobicContact CD2-CB 3.63Å; W149-H174 AromaticContact CD2-CD2 3.86Å; W149-H174 AromaticContact CD2-CG 3.67Å; W149-H174 HydrophobicContact CE3-CB 3.62Å; W149-H174 AromaticContact CE3-CD2 3.73Å; W149-H174 AromaticContact CE3-CG 3.33Å; W149-H174 AromaticContact CE3-ND1 3.55Å; W149-H174 HydrophobicContact CG-CB 4.24Å; W149-H174 AromaticContact CG-CD2 3.89Å; W149-H174 HydrophobicContact CH2-CB 4.06Å; W149-H174 HydrophobicContact CZ2-CB 4.06Å; W149-H174 HydrophobicContact CZ3-CB 3.83Å; W149-H174 AromaticContact CZ3-CG 3.81Å; W149-H174 AromaticContact CZ3-ND1 3.75Å; V150-H174 PolarHBondContact O-NE2 2.96Å; D152-H174 IonicContact OD1-CE1 3.13Å; D152-H174 PolarHBondContact OD1-CE1 3.41Å; D152-H174 IonicContact OD1-NE2 3.75Å; H174-R176 WeakPolarHBondContact O-CD 3.34Å; H174-R176 PolarHBondContact O-NH1 2.82Å; H174-F180 WeakPolarHBondContact CA-O 3.38Å
175C97.8Very high96.3Very high0 Ų057.9 Ų57.90%029%0.293CS..  trans-71.1125.6165.71770000109.6K177 C178 G179 F180 I203 C204C175-K177 VanDerWaalsContact C-N 3.3Å; C175-K177 PolarHBondContact O-N 3.17Å; C175-K177 PolarHBondContact SG-N 2.78Å; C175-C178 VanDerWaalsContact CB-SG 3.53Å; C175-C178 PolarHBondContact SG-SG 3.06Å; C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.42Å; C175-G179 PolarHBondContact O-N 3.25Å; C175-F180 PolarHBondContact N-O 3.49Å; C175-I203 VanDerWaalsContact SG-CA 3.57Å; C175-C204 HydrophobicContact CB-CB 4.14Å; C175-C204 PolarHBondContact SG-N 2.97Å
176R96.6Very high96.4Very high66 Ų6651.3 Ų51.325%0.24927%0.267CS..THydrogen-bonded Turntrans-71.9-22.9-179.5-83.859.8146.7-176.5-1.1113.7W149 H174 L193 Q196 V201 R202 I203W149-R176 HydrophobicContact CZ2-CG 4.23Å; H174-R176 WeakPolarHBondContact O-CD 3.34Å; H174-R176 PolarHBondContact O-NH1 2.82Å; R176-L193 HydrophobicContact CB-CD1 3.83Å; R176-Q196 PolarHBondContact O-NE2 3.23Å; R176-Q196 PolarHBondContact O-OE1 2.92Å; R176-V201 HydrophobicContact CB-CB 4.17Å; R176-V201 HydrophobicContact CB-CG2 3.63Å; R176-V201 HydrophobicContact CG-CB 3.88Å; R176-V201 HydrophobicContact CG-CG1 4.45Å; R176-V201 HydrophobicContact CG-CG2 3.89Å; R176-R202 VanDerWaalsContact CD-O 3.28Å; R176-R202 WeakPolarHBondContact CD-O 3.45Å; R176-R202 PolarHBondContact N-O 2.98Å; R176-R202 VanDerWaalsContact N-O 3.16Å; R176-I203 HydrophobicContact CB-CG2 4.31Å
177K95.4Very high96.4Very high67 Ų6750.5 Ų50.529%0.29126%0.263SS..THydrogen-bonded Turntrans-80.3-47.2178.2178.861.6178.6-177.10113A147 C175 L193 I203 C207 L211A147-K177 WeakPolarHBondContact CB-O 3.27Å; C175-K177 VanDerWaalsContact C-N 3.3Å; C175-K177 PolarHBondContact O-N 3.17Å; C175-K177 PolarHBondContact SG-N 2.78Å; K177-L193 HydrophobicContact CB-CD1 4.34Å; K177-I203 HydrophobicContact CB-CG2 4.08Å; K177-C207 HydrophobicContact CB-CB 4.03Å; K177-C207 HydrophobicContact CG-CB 4.12Å; K177-L211 HydrophobicContact CD-CD1 4.3Å; K177-L211 HydrophobicContact CG-CD1 4.16Å
178C95.9Very high96.5Very high28 Ų2854.5 Ų54.519%0.18928%0.277CS..THydrogen-bonded Turntrans-111.2-8.3-175.260.90000115.3R160 C175 F180R160-C178 PolarHBondContact NH2-SG 3.45Å; C175-C178 VanDerWaalsContact CB-SG 3.53Å; C175-C178 PolarHBondContact SG-SG 3.06Å; C178-F180 PolarHBondContact O-N 3.24Å
179G95.8Very high96.7Very high0 Ų052.6 Ų52.60%026%0.257CS..  trans78.6-5.6176.200000115.8W149 V150 C175W149-G179 WeakPolarHBondContact CA-O 3.28Å; V150-G179 PolarHBondContact N-O 2.87Å; C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.42Å; C175-G179 PolarHBondContact O-N 3.25Å
180F97.3Very high97Very high68 Ų6853 Ų5330%0.29824%0.244SC..  trans-65.2151.6178.5-71.7-3.5000113.6V150 M159 H174 C175 C178 V182V150-F180 HydrophobicContact CG2-CD1 4.25Å; M159-F180 HydrophobicContact CB-CB 4.07Å; M159-F180 HydrophobicContact CB-CD2 4.18Å; M159-F180 HydrophobicContact CB-CG 4.22Å; M159-F180 HydrophobicContact SD-CB 4Å; M159-F180 HydrophobicContact SD-CD1 4.26Å; M159-F180 HydrophobicContact SD-CG 4.19Å; H174-F180 WeakPolarHBondContact CA-O 3.38Å; C175-F180 PolarHBondContact N-O 3.49Å; C178-F180 PolarHBondContact O-N 3.24Å; F180-V182 HydrophobicContact CB-CG1 4.38Å
181V97.9Very high97.1Very high0 Ų053.4 Ų53.40%024%0.243CC..EExtended strand (participates in β ladder)trans-89.5121.1173.7-164.80000110V150 A155 M159 F166 R172 H173V150-V181 HydrophobicContact CB-CG2 4.09Å; A155-V181 HydrophobicContact CB-CB 3.49Å; A155-V181 VanDerWaalsContact CB-CB 3.49Å; A155-V181 HydrophobicContact CB-CG1 3.89Å; A155-V181 HydrophobicContact CB-CG2 3.46Å; A155-V181 VanDerWaalsContact CB-CG2 3.46Å; M159-V181 WeakPolarHBondContact CB-O 3.33Å; M159-V181 HydrophobicContact CE-CG2 4.37Å; M159-V181 PolarHBondContact N-O 3.43Å; M159-V181 HydrophobicContact SD-CB 4.12Å; M159-V181 HydrophobicContact SD-CG2 4.23Å; M159-V181 PolarHBondContact SD-N 3.38Å; F166-V181 HydrophobicContact CD2-CG1 4.41Å; F166-V181 HydrophobicContact CE2-CB 4.21Å; F166-V181 HydrophobicContact CE2-CG1 3.58Å; F166-V181 HydrophobicContact CZ-CB 4.41Å; F166-V181 HydrophobicContact CZ-CG1 3.67Å; R172-V181 HydrophobicContact CB-CG1 3.64Å; R172-V181 HydrophobicContact CG-CG1 3.63Å; H173-V181 CarbonylContact O-C 3.57Å; H173-V181 VanDerWaalsContact O-CA 3.31Å; H173-V181 WeakPolarHBondContact O-CA 3.26Å
182V98.4Very high97.1Very high0 Ų048.7 Ų48.70%023%0.231CC..EExtended strand (participates in β ladder)trans-132.8152.4-171-62.40000111.2R160 H173 F180 C186 C204R160-V182 HydrophobicContact CB-CG1 4.27Å; R160-V182 HydrophobicContact CG-CG1 3.49Å; R160-V182 VanDerWaalsContact CG-CG1 3.49Å; H173-V182 HydrophobicContact CB-CG2 4.23Å; H173-V182 WeakPolarHBondContact CB-O 3.43Å; H173-V182 PolarHBondContact N-O 3.48Å; H173-V182 WeakPolarHBondContact O-CG2 3.44Å; H173-V182 PolarHBondContact O-N 3.16Å; F180-V182 HydrophobicContact CB-CG1 4.38Å; V182-C186 HydrophobicContact CB-CB 4.41Å; V182-C204 HydrophobicContact CG1-CB 4.1Å; V182-C204 HydrophobicContact CG2-CB 4.49Å
183C98.3Very high97Very high4 Ų445.2 Ų45.23%0.02722%0.219CC..  trans-77.5168.317265.30000111.4C158 A164 F166 C186 S187C158-C183 HydrophobicContact CB-CB 4.16Å; C158-C183 PolarHBondContact SG-N 2.95Å; C158-C183 VanDerWaalsContact SG-SG 3.62Å; A164-C183 HydrophobicContact CB-CB 4.05Å; F166-C183 HydrophobicContact CE1-CB 4.16Å; C183-C186 PolarHBondContact O-N 3.31Å; C183-S187 PolarHBondContact O-OG 2.87Å
184G98Very high96.8Very high20 Ų2047.8 Ų47.821%0.20624%0.24CC..SBendtrans-53.2-53.3178.500000112.7H173 C186 S187 E188H173-G184 PolarHBondContact CD2-N 2.69Å; G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 3.44Å; G184-S187 CarbonylContact O-C 3.47Å; G184-S187 PolarHBondContact O-N 2.86Å; G184-S187 PolarHBondContact O-OG 3.2Å; G184-E188 WeakPolarHBondContact O-CG 3.24Å; G184-E188 PolarHBondContact O-N 2.85Å
185P97.9Very high96.5Very high87 Ų8749 Ų4957%0.56525%0.249SC*.THydrogen-bonded Turntrans-60.2-28-179.8-28.236000115.5S187P185-S187 VanDerWaalsContact C-N 3.27Å; P185-S187 PolarHBondContact O-N 2.94Å
186C98.4Very high96.2Very high21 Ų2151.5 Ų51.514%0.14226%0.261CS..THydrogen-bonded Turntrans-87.99.1177.8-670000113.6R160 V182 C183 G184 C204 D205R160-C186 HydrophobicContact CB-CB 3.92Å; R160-C186 HydrophobicContact CG-CB 4.45Å; V182-C186 HydrophobicContact CB-CB 4.41Å; C183-C186 PolarHBondContact O-N 3.31Å; G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 3.44Å; C186-C204 WeakPolarHBondContact O-CA 3.31Å; C186-C204 VanDerWaalsContact O-CB 3.31Å; C186-C204 WeakPolarHBondContact O-CB 3.37Å; C186-D205 WeakPolarHBondContact CA-OD2 3.2Å; C186-D205 PolarHBondContact O-N 2.98Å; C186-D205 VanDerWaalsContact O-N 3.12Å
187S97.8Very high96Very high0 Ų050.2 Ų50.20%026%0.262CS..  trans-153.136.9-174.164.90000113.4C183 G184 P185 K189 R202 I203C183-S187 PolarHBondContact O-OG 2.87Å; G184-S187 CarbonylContact O-C 3.47Å; G184-S187 PolarHBondContact O-N 2.86Å; G184-S187 PolarHBondContact O-OG 3.2Å; P185-S187 VanDerWaalsContact C-N 3.27Å; P185-S187 PolarHBondContact O-N 2.94Å; S187-K189 PolarHBondContact O-N 3.26Å; S187-R202 WeakPolarHBondContact O-CG 3.49Å; S187-R202 PolarHBondContact O-NH1 3.26Å; S187-R202 PolarHBondContact OG-NH1 3.44Å; S187-I203 WeakPolarHBondContact CA-O 3.33Å; S187-I203 WeakPolarHBondContact CB-O 3.43Å
188E96.6Very high96Very high152 Ų15252.3 Ų52.371%0.7129%0.286SS*.  trans-69.2-28.6-177.7-62.9-172.3118.400111.6G184G184-E188 WeakPolarHBondContact O-CG 3.24Å; G184-E188 PolarHBondContact O-N 2.85Å
189K96.3Very high96Very high78 Ų7858.1 Ų58.134%0.33931%0.308SS..  trans-81156.8-175.6-53.2-175.2-169.9176.10113.1S187 I203 Y208 D209S187-K189 PolarHBondContact O-N 3.26Å; K189-I203 PolarHBondContact O-N 2.82Å; K189-Y208 HydrophobicContact CB-CD1 4.44Å; K189-Y208 HydrophobicContact CB-CD2 3.5Å; K189-Y208 VanDerWaalsContact CB-CD2 3.5Å; K189-Y208 HydrophobicContact CB-CE2 3.96Å; K189-Y208 HydrophobicContact CB-CG 3.76Å; K189-Y208 HydrophobicContact CD-CD1 3.21Å; K189-Y208 HydrophobicContact CD-CD2 3.88Å; K189-Y208 HydrophobicContact CD-CE1 3.58Å; K189-Y208 HydrophobicContact CD-CE2 4.2Å; K189-Y208 HydrophobicContact CD-CG 3.36Å; K189-Y208 HydrophobicContact CG-CD1 4.42Å; K189-Y208 HydrophobicContact CG-CD2 4.31Å; K189-Y208 HydrophobicContact CG-CG 4.2Å; K189-D209 IonicContact NZ-OD1 2.78Å; K189-D209 PolarHBondContact NZ-OD1 2.91Å
190R97.6Very high96.1Very high147 Ų14761.4 Ų61.456%0.55533%0.329SS*.EExtended strand (participates in β ladder)trans-128.3146.8175-67.2-178.7169.6-120.78.6110.3P200 V201 Y208R190-P200 HydrophobicContact CB-CB 3.81Å; R190-P200 PolarHBondContact NH1-O 3.3Å; R190-V201 CarbonylContact C-O 3.55Å; R190-V201 WeakPolarHBondContact CA-O 3.37Å; R190-Y208 WeakPolarHBondContact O-CE2 3.41Å
191F96.9Very high96Very high56 Ų5659 Ų5925%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-139.3147-179.2-162.3-87.5000110.4L193 P200 V201 I203 Y208 L211F191-L193 HydrophobicContact CD1-CD2 4.01Å; F191-L193 PolarHBondContact O-N 3.35Å; F191-P200 WeakPolarHBondContact O-CA 3.42Å; F191-V201 PolarHBondContact N-O 3.13Å; F191-V201 WeakPolarHBondContact O-CG2 3.17Å; F191-V201 PolarHBondContact O-N 2.87Å; F191-I203 HydrophobicContact CB-CD1 3.33Å; F191-I203 HydrophobicContact CB-CG1 3.93Å; F191-I203 HydrophobicContact CD2-CD1 4.46Å; F191-I203 HydrophobicContact CG-CD1 4.01Å; F191-Y208 HydrophobicContact CB-CD2 4.29Å; F191-Y208 HydrophobicContact CD2-CD2 4.01Å; F191-Y208 HydrophobicContact CD2-CE2 4.07Å; F191-L211 HydrophobicContact CD1-CB 4.41Å; F191-L211 HydrophobicContact CD1-CD1 3.76Å; F191-L211 HydrophobicContact CD2-CB 4.18Å; F191-L211 HydrophobicContact CE1-CB 4.01Å; F191-L211 HydrophobicContact CE1-CD1 3.98Å; F191-L211 HydrophobicContact CE1-CG 4.44Å; F191-L211 HydrophobicContact CE2-CB 3.73Å; F191-L211 HydrophobicContact CG-CD1 4.09Å; F191-L211 HydrophobicContact CZ-CB 3.66Å; F191-L211 HydrophobicContact CZ-CD1 4.46Å
192L96.4Very high96Very high78 Ų7861.8 Ų61.841%0.40833%0.33SS..  trans-78.7117.5176.3-176.764.3000109.3P194 S197L192-P194 HydrophobicContact CG-CG 4.34Å; L192-P194 WeakPolarHBondContact O-CD 3.41Å; L192-S197 WeakPolarHBondContact CD1-O 3.4Å
193L94.7Very high96Very high16 Ų1661.8 Ų61.88%0.08433%0.33CS..  trans-109.992.1171.6-62.1-179.4000107.2R176 K177 F191 S195 Q196 S197 V201 I203 L211R176-L193 HydrophobicContact CB-CD1 3.83Å; K177-L193 HydrophobicContact CB-CD1 4.34Å; F191-L193 HydrophobicContact CD1-CD2 4.01Å; F191-L193 PolarHBondContact O-N 3.35Å; L193-S195 PolarHBondContact O-N 3.48Å; L193-Q196 HydrophobicContact CB-CB 4.13Å; L193-Q196 HydrophobicContact CB-CG 4.34Å; L193-Q196 PolarHBondContact O-N 3.12Å; L193-S197 PolarHBondContact O-N 3.5Å; L193-V201 HydrophobicContact CB-CG2 4.2Å; L193-V201 HydrophobicContact CD1-CG2 3.72Å; L193-V201 HydrophobicContact CG-CG2 3.86Å; L193-I203 HydrophobicContact CD1-CG2 4.34Å; L193-L211 HydrophobicContact CD2-CD1 4.1Å
194P92Very high96Very high105 Ų10561.6 Ų61.668%0.68233%0.329SS*.THydrogen-bonded Turntrans-55.5-39.7-168.6-27.635.9000113.2L192 Q196L192-P194 HydrophobicContact CG-CG 4.34Å; L192-P194 WeakPolarHBondContact O-CD 3.41Å; P194-Q196 PolarHBondContact O-N 3.24Å
195S89.9Confident96Very high35 Ų3562.4 Ų62.425%0.24533%0.328CS..THydrogen-bonded Turntrans-65.4-16.3177.9-50.80000114T106 E144 L193T106-S195 WeakPolarHBondContact CA-O 3.4Å; T106-S195 WeakPolarHBondContact CG2-O 3.36Å; E144-S195 WeakPolarHBondContact OE1-CB 3.34Å; E144-S195 PolarHBondContact OE1-OG 3.47Å; L193-S195 PolarHBondContact O-N 3.48Å
196Q92.1Very high95.9Very high54 Ų5463.5 Ų63.525%0.25233%0.325SS..THydrogen-bonded Turntrans-115.5-29.9-177.4-59.9-175.328.200113.6P105 A146 R176 L193 P194P105-Q196 WeakPolarHBondContact O-CG 3.42Å; A146-Q196 HydrophobicContact CB-CG 4.15Å; R176-Q196 PolarHBondContact O-NE2 3.23Å; R176-Q196 PolarHBondContact O-OE1 2.92Å; L193-Q196 HydrophobicContact CB-CB 4.13Å; L193-Q196 HydrophobicContact CB-CG 4.34Å; L193-Q196 PolarHBondContact O-N 3.12Å; P194-Q196 PolarHBondContact O-N 3.24Å
197S93.3Very high95.9Very high39 Ų3962.6 Ų62.627%0.27332%0.318SS..  trans-161.8146.1-177.6-166.40000112.3L192 L193 K199L192-S197 WeakPolarHBondContact CD1-O 3.4Å; L193-S197 PolarHBondContact O-N 3.5Å; S197-K199 WeakPolarHBondContact CB-O 3.22Å; S197-K199 PolarHBondContact O-N 3.06Å; S197-K199 PolarHBondContact OG-N 2.87Å; S197-K199 PolarHBondContact OG-O 2.9Å
198S94.6Very high95.8Very high111 Ų11166 Ų6678%0.77633%0.332SS*.SBendtrans-76-6.6167.757.50000113.8
199K96.1Very high95.8Very high150 Ų15062.6 Ų62.665%0.65232%0.319SS*.SBendtrans-121.4151.6179.8-64.9-176.6-180-178.50110.6S197 V201S197-K199 WeakPolarHBondContact CB-O 3.22Å; S197-K199 PolarHBondContact O-N 3.06Å; S197-K199 PolarHBondContact OG-N 2.87Å; S197-K199 PolarHBondContact OG-O 2.9Å; K199-V201 PolarHBondContact O-N 3.04Å
200P96.9Very high95.7Very high68 Ų6860.3 Ų60.344%0.44231%0.31SS..  trans-56.7125.7175.1-27.335.7000113.2R190 F191R190-P200 HydrophobicContact CB-CB 3.81Å; R190-P200 PolarHBondContact NH1-O 3.3Å; F191-P200 WeakPolarHBondContact O-CA 3.42Å
201V97Very high95.4Very high19 Ų1954.3 Ų54.312%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-104.7150.9179.6-66.50000111R176 R190 F191 L193 K199 I203R176-V201 HydrophobicContact CB-CB 4.17Å; R176-V201 HydrophobicContact CB-CG2 3.63Å; R176-V201 HydrophobicContact CG-CB 3.88Å; R176-V201 HydrophobicContact CG-CG1 4.45Å; R176-V201 HydrophobicContact CG-CG2 3.89Å; R190-V201 CarbonylContact C-O 3.55Å; R190-V201 WeakPolarHBondContact CA-O 3.37Å; F191-V201 PolarHBondContact N-O 3.13Å; F191-V201 WeakPolarHBondContact O-CG2 3.17Å; F191-V201 PolarHBondContact O-N 2.87Å; L193-V201 HydrophobicContact CB-CG2 4.2Å; L193-V201 HydrophobicContact CD1-CG2 3.72Å; L193-V201 HydrophobicContact CG-CG2 3.86Å; K199-V201 PolarHBondContact O-N 3.04Å; V201-I203 PolarHBondContact O-N 2.81Å
202R97.8Very high95.2Very high57 Ų5754.7 Ų54.722%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-62.4129.9177.5176.1-172.5-63.2-88.61.8110.5R176 S187R176-R202 VanDerWaalsContact CD-O 3.28Å; R176-R202 WeakPolarHBondContact CD-O 3.45Å; R176-R202 PolarHBondContact N-O 2.98Å; R176-R202 VanDerWaalsContact N-O 3.16Å; S187-R202 WeakPolarHBondContact O-CG 3.49Å; S187-R202 PolarHBondContact O-NH1 3.26Å; S187-R202 PolarHBondContact OG-NH1 3.44Å
203I98.3Very high94.9Very high0 Ų054.6 Ų54.60%031%0.309CS..  trans-131.3159.9169.560.7169000108.6C175 R176 K177 S187 K189 F191 L193 V201 C207 Y208 L211C175-I203 VanDerWaalsContact SG-CA 3.57Å; R176-I203 HydrophobicContact CB-CG2 4.31Å; K177-I203 HydrophobicContact CB-CG2 4.08Å; S187-I203 WeakPolarHBondContact CA-O 3.33Å; S187-I203 WeakPolarHBondContact CB-O 3.43Å; K189-I203 PolarHBondContact O-N 2.82Å; F191-I203 HydrophobicContact CB-CD1 3.33Å; F191-I203 HydrophobicContact CB-CG1 3.93Å; F191-I203 HydrophobicContact CD2-CD1 4.46Å; F191-I203 HydrophobicContact CG-CD1 4.01Å; L193-I203 HydrophobicContact CD1-CG2 4.34Å; V201-I203 PolarHBondContact O-N 2.81Å; I203-C207 HydrophobicContact CB-CB 4.34Å; I203-C207 HydrophobicContact CD1-CB 4.15Å; I203-Y208 HydrophobicContact CD1-CD2 4.12Å; I203-Y208 HydrophobicContact CD1-CG 4.37Å; I203-Y208 HydrophobicContact CG1-CD2 4.41Å; I203-L211 HydrophobicContact CD1-CD1 3.95Å
204C98.4Very high94Very high0 Ų056.6 Ų56.60%033%0.333CS..  trans-72.4154.9172.559.50000110.7R160 C175 V182 C186 F206 C207 Y208R160-C204 HydrophobicContact CG-CB 4.02Å; R160-C204 PolarHBondContact NE-SG 3.33Å; R160-C204 PolarHBondContact NH2-SG 3Å; C175-C204 HydrophobicContact CB-CB 4.14Å; C175-C204 PolarHBondContact SG-N 2.97Å; V182-C204 HydrophobicContact CG1-CB 4.1Å; V182-C204 HydrophobicContact CG2-CB 4.49Å; C186-C204 WeakPolarHBondContact O-CA 3.31Å; C186-C204 VanDerWaalsContact O-CB 3.31Å; C186-C204 WeakPolarHBondContact O-CB 3.37Å; C204-F206 VanDerWaalsContact C-N 3.28Å; C204-F206 PolarHBondContact O-N 3.12Å; C204-C207 PolarHBondContact O-N 2.78Å; C204-C207 PolarHBondContact SG-SG 3.38Å; C204-Y208 PolarHBondContact O-N 2.76Å
205D97.3Very high92.7Very high37 Ų3755.8 Ų55.820%0.19832%0.323CS..Hα-helixtrans-59.6-40.3-172.2-50.7-41.3000112C186 C207 Y208 D209C186-D205 WeakPolarHBondContact CA-OD2 3.2Å; C186-D205 PolarHBondContact O-N 2.98Å; C186-D205 VanDerWaalsContact O-N 3.12Å; D205-C207 VanDerWaalsContact C-N 3.3Å; D205-C207 PolarHBondContact O-N 3.26Å; D205-Y208 WeakPolarHBondContact O-CA 3.16Å; D205-Y208 WeakPolarHBondContact O-CB 3.48Å; D205-Y208 PolarHBondContact O-N 2.91Å; D205-D209 VanDerWaalsContact O-CG 3.23Å; D205-D209 PolarHBondContact O-N 2.86Å
206F96.2Very high91.2Very high111 Ų11161.4 Ų61.449%0.48735%0.347SS..Hα-helixtrans-53.2-43.4172.6178.9-91.6000113.8R160 C204 Y208 L210R160-F206 VanDerWaalsContact NH1-CG 3.29Å; C204-F206 VanDerWaalsContact C-N 3.28Å; C204-F206 PolarHBondContact O-N 3.12Å; F206-Y208 VanDerWaalsContact C-N 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.31Å; F206-L210 PolarHBondContact O-N 2.76Å
207C96.8Very high89.3Confident1 Ų163 Ų631%0.00737%0.369CS..Hα-helixtrans-74-29.3178.7-74.10000111.3R160 K177 I203 C204 D205 L211R160-C207 PolarHBondContact NH2-SG 2.85Å; K177-C207 HydrophobicContact CB-CB 4.03Å; K177-C207 HydrophobicContact CG-CB 4.12Å; I203-C207 HydrophobicContact CB-CB 4.34Å; I203-C207 HydrophobicContact CD1-CB 4.15Å; C204-C207 PolarHBondContact O-N 2.78Å; C204-C207 PolarHBondContact SG-SG 3.38Å; D205-C207 VanDerWaalsContact C-N 3.3Å; D205-C207 PolarHBondContact O-N 3.26Å; C207-L211 WeakPolarHBondContact O-CB 3.34Å; C207-L211 WeakPolarHBondContact O-CD1 3.31Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.45Å; C207-L211 VanDerWaalsContact O-N 3.11Å
208Y97.3Very high87.1Confident73 Ų7365.7 Ų65.729%0.28639%0.385SS..Hα-helixtrans-67.9-46.8176.2-177.1-82.9000110.6K189 R190 F191 I203 C204 D205 F206 L210 L211 S212K189-Y208 HydrophobicContact CB-CD1 4.44Å; K189-Y208 HydrophobicContact CB-CD2 3.5Å; K189-Y208 VanDerWaalsContact CB-CD2 3.5Å; K189-Y208 HydrophobicContact CB-CE2 3.96Å; K189-Y208 HydrophobicContact CB-CG 3.76Å; K189-Y208 HydrophobicContact CD-CD1 3.21Å; K189-Y208 HydrophobicContact CD-CD2 3.88Å; K189-Y208 HydrophobicContact CD-CE1 3.58Å; K189-Y208 HydrophobicContact CD-CE2 4.2Å; K189-Y208 HydrophobicContact CD-CG 3.36Å; K189-Y208 HydrophobicContact CG-CD1 4.42Å; K189-Y208 HydrophobicContact CG-CD2 4.31Å; K189-Y208 HydrophobicContact CG-CG 4.2Å; R190-Y208 WeakPolarHBondContact O-CE2 3.41Å; F191-Y208 HydrophobicContact CB-CD2 4.29Å; F191-Y208 HydrophobicContact CD2-CD2 4.01Å; F191-Y208 HydrophobicContact CD2-CE2 4.07Å; I203-Y208 HydrophobicContact CD1-CD2 4.12Å; I203-Y208 HydrophobicContact CD1-CG 4.37Å; I203-Y208 HydrophobicContact CG1-CD2 4.41Å; C204-Y208 PolarHBondContact O-N 2.76Å; D205-Y208 WeakPolarHBondContact O-CA 3.16Å; D205-Y208 WeakPolarHBondContact O-CB 3.48Å; D205-Y208 PolarHBondContact O-N 2.91Å; F206-Y208 VanDerWaalsContact C-N 3.31Å; Y208-L210 VanDerWaalsContact C-N 3.35Å; Y208-L210 PolarHBondContact O-N 3.3Å; Y208-L211 PolarHBondContact O-N 3.26Å; Y208-S212 WeakPolarHBondContact CD1-OG 3.42Å; Y208-S212 VanDerWaalsContact CE1-OG 3.24Å; Y208-S212 WeakPolarHBondContact CE1-OG 3.44Å; Y208-S212 VanDerWaalsContact O-CB 3.26Å; Y208-S212 WeakPolarHBondContact O-CB 3.38Å; Y208-S212 PolarHBondContact O-N 3.03Å; Y208-S212 PolarHBondContact O-OG 2.94Å
209D95.3Very high84.7Confident80 Ų8062.3 Ų62.343%0.42836%0.36SS..Hα-helixtrans-64.8-43-177.5-58.6-22.1000110.1K189 D205 S212 A213K189-D209 IonicContact NZ-OD1 2.78Å; K189-D209 PolarHBondContact NZ-OD1 2.91Å; D205-D209 VanDerWaalsContact O-CG 3.23Å; D205-D209 PolarHBondContact O-N 2.86Å; D209-S212 PolarHBondContact O-N 2.88Å; D209-A213 WeakPolarHBondContact O-CB 3.21Å; D209-A213 PolarHBondContact O-N 3.4Å
210L94.1Very high82.2Confident30 Ų3063.2 Ų63.216%0.15737%0.367CS..Hα-helixtrans-60.5-47.4175-172.272.3000113F206 Y208 S212 A213 D215 C219F206-L210 WeakPolarHBondContact O-CB 3.31Å; F206-L210 PolarHBondContact O-N 2.76Å; Y208-L210 VanDerWaalsContact C-N 3.35Å; Y208-L210 PolarHBondContact O-N 3.3Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 3.33Å; L210-A213 PolarHBondContact O-N 2.94Å; L210-D215 HydrophobicContact CD1-CB 3.54Å; L210-D215 HydrophobicContact CG-CB 4.13Å; L210-D215 WeakPolarHBondContact CG-O 3.41Å; L210-D215 PolarHBondContact O-N 3.47Å; L210-C219 HydrophobicContact CD2-CB 3.5Å; L210-C219 WeakPolarHBondContact CD2-SG 3.48Å
211L93Very high79.5Confident20 Ų2065.1 Ų65.111%0.10538%0.379CS..Hα-helixtrans-69.1-31.3179.7-71.8170.2000112.3K177 F191 L193 I203 C207 Y208 G214K177-L211 HydrophobicContact CD-CD1 4.3Å; K177-L211 HydrophobicContact CG-CD1 4.16Å; F191-L211 HydrophobicContact CD1-CB 4.41Å; F191-L211 HydrophobicContact CD1-CD1 3.76Å; F191-L211 HydrophobicContact CD2-CB 4.18Å; F191-L211 HydrophobicContact CE1-CB 4.01Å; F191-L211 HydrophobicContact CE1-CD1 3.98Å; F191-L211 HydrophobicContact CE1-CG 4.44Å; F191-L211 HydrophobicContact CE2-CB 3.73Å; F191-L211 HydrophobicContact CG-CD1 4.09Å; F191-L211 HydrophobicContact CZ-CB 3.66Å; F191-L211 HydrophobicContact CZ-CD1 4.46Å; L193-L211 HydrophobicContact CD2-CD1 4.1Å; I203-L211 HydrophobicContact CD1-CD1 3.95Å; C207-L211 WeakPolarHBondContact O-CB 3.34Å; C207-L211 WeakPolarHBondContact O-CD1 3.31Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.45Å; C207-L211 VanDerWaalsContact O-N 3.11Å; Y208-L211 PolarHBondContact O-N 3.26Å; L211-G214 PolarHBondContact O-N 3.41Å
212S91.8Very high76.7Confident65 Ų6568.5 Ų68.546%0.45541%0.41SS..Hα-helixtrans-75.6-28.3177.8-55.30000112.2Y208 D209 L210 G214Y208-S212 WeakPolarHBondContact CD1-OG 3.42Å; Y208-S212 VanDerWaalsContact CE1-OG 3.24Å; Y208-S212 WeakPolarHBondContact CE1-OG 3.44Å; Y208-S212 VanDerWaalsContact O-CB 3.26Å; Y208-S212 WeakPolarHBondContact O-CB 3.38Å; Y208-S212 PolarHBondContact O-N 3.03Å; Y208-S212 PolarHBondContact O-OG 2.94Å; D209-S212 PolarHBondContact O-N 2.88Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 3.33Å; S212-G214 PolarHBondContact O-N 2.69Å
213A89.1Confident73.8Confident76 Ų7675.4 Ų75.463%0.62844%0.436SS*.THydrogen-bonded Turntrans-75.7-3.9173.700000113.6D209 L210 D215D209-A213 WeakPolarHBondContact O-CB 3.21Å; D209-A213 PolarHBondContact O-N 3.4Å; L210-A213 PolarHBondContact O-N 2.94Å; A213-D215 VanDerWaalsContact C-N 3.25Å; A213-D215 PolarHBondContact O-N 3.05Å
214G77.3Confident71.3Confident57 Ų5780.5 Ų80.559%0.58847%0.471SS*.THydrogen-bonded Turntrans79.52.4-177.800000114.4L211 S212 M216L211-G214 PolarHBondContact O-N 3.41Å; S212-G214 PolarHBondContact O-N 2.69Å; G214-M216 VanDerWaalsContact C-N 3.33Å; G214-M216 PolarHBondContact O-N 3.24Å
215D65.3Low68.4Low88 Ų8885.5 Ų85.547%0.47150%0.498SS..  trans-80.678.6178.3-96.8-25.5000110.9L210 A213 A217L210-D215 HydrophobicContact CD1-CB 3.54Å; L210-D215 HydrophobicContact CG-CB 4.13Å; L210-D215 WeakPolarHBondContact CG-O 3.41Å; L210-D215 PolarHBondContact O-N 3.47Å; A213-D215 VanDerWaalsContact C-N 3.25Å; A213-D215 PolarHBondContact O-N 3.05Å; D215-A217 PolarHBondContact O-N 3.43Å
216M57.2Low65.2Low153 Ų15387.9 Ų87.975%0.75452%0.517SS*.  trans-73.8-13.4175.8-72.3-142.8-72.200113.9G214G214-M216 VanDerWaalsContact C-N 3.33Å; G214-M216 PolarHBondContact O-N 3.24Å
217A52.3Low62.4Low87 Ų8789.6 Ų89.672%0.71952%0.522SS*.SBendtrans-93.2-19.4-165.300000116.1D215D215-A217 PolarHBondContact O-N 3.43Å
218T46.2Very low59.5Low97 Ų9793.6 Ų93.660%0.59555%0.549SS*.SBendtrans-109.39.7-164.145.50000116.3Q220T218-Q220 PolarHBondContact O-N 3.35Å
219C46Very low56.5Low40 Ų4097.5 Ų97.527%0.2757%0.57SS.*  trans-101.356.8173.4-110.40000112.3L210L210-C219 HydrophobicContact CD2-CB 3.5Å; L210-C219 WeakPolarHBondContact CD2-SG 3.48Å
220Q42.8Very low53.5Low168 Ų16896.7 Ų96.779%0.78557%0.571SS**  trans-70.7137.1155.9-69.4-170.3-4.200107.7T218 A222T218-Q220 PolarHBondContact O-N 3.35Å; Q220-A222 PolarHBondContact O-N 2.78Å
221P40.6Very low50.7Low108 Ų108100 Ų10070%0.70159%0.589SS**  trans-61.5109.1165.226.3-28.9000106.2R223P221-R223 PolarHBondContact O-N 2.98Å; P221-R223 VanDerWaalsContact O-N 3.13Å
222A38.2Very low48Very low91 Ų91106.7 Ų106.775%0.75262%0.616SS**  trans-49.9126.1164.200000106.6Q220Q220-A222 PolarHBondContact O-N 2.78Å
223R37.3Very low45.3Very low202 Ų202107.8 Ų107.876%0.76262%0.624SS**  trans-43.2144.3-174.7-70.8174.2159.7-176.8-6111.7P221 D225P221-R223 PolarHBondContact O-N 2.98Å; P221-R223 VanDerWaalsContact O-N 3.13Å; R223-D225 PolarHBondContact O-N 3.37Å
224S44.3Very low42.8Very low107 Ų107108.6 Ų108.675%0.74863%0.625SS**THydrogen-bonded Turntrans-51.85.717447.30000116.8
225D37.8Very low40.9Very low105 Ų105112.5 Ų112.556%0.56163%0.632SS**THydrogen-bonded Turntrans-92.3-12-169.1-63.7-30000113.8R223R223-D225 PolarHBondContact O-N 3.37Å
226S31.5Very low39.6Very low87 Ų87115.2 Ų115.261%0.60865%0.647SS**SBendtrans-93.5-10.8-175.555.90000115.2S228S226-S228 VanDerWaalsContact C-N 3.31Å
227Y37.1Very low38.6Very low147 Ų147114 Ų11458%0.57664%0.643SS**Hα-helixtrans-75.9-21.3176.4-160.7-101.2000112.6Q229 L231Y227-Q229 VanDerWaalsContact C-N 3.27Å; Y227-Q229 PolarHBondContact O-N 3Å; Y227-L231 HydrophobicContact CD1-CD1 4.07Å; Y227-L231 HydrophobicContact CE1-CD1 3.86Å
228S36Very low37.9Very low84 Ų84118 Ų11859%0.58765%0.649SS**Hα-helixtrans-73.5-14.8178.2-53.70000114S226S226-S228 VanDerWaalsContact C-N 3.31Å
229Q33.2Very low37.3Very low156 Ų156118 Ų11873%0.72965%0.653SS**Hα-helixtrans-88.5-30.6179.9-103.6170.4-5.700113.5Y227 K232Y227-Q229 VanDerWaalsContact C-N 3.27Å; Y227-Q229 PolarHBondContact O-N 3Å; Q229-K232 PolarHBondContact O-N 3.16Å
230S33.4Very low36.8Very low63 Ų63123 Ų12344%0.44168%0.677SS.*Hα-helixtrans-74.8-27.317977.60000113K232 S233S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 3.17Å; S230-S233 PolarHBondContact O-N 3.41Å; S230-S233 PolarHBondContact O-OG 3.46Å
231L35Very low36.3Very low100 Ų100123 Ų12352%0.52468%0.683SS.*Hα-helixtrans-69.3-23.8174.7-87.8153.5000113.9Y227Y227-L231 HydrophobicContact CD1-CD1 4.07Å; Y227-L231 HydrophobicContact CE1-CD1 3.86Å
232K36.3Very low36Very low159 Ų159124.6 Ų124.669%0.69169%0.685SS**Hα-helixtrans-79.2-23.3176.4-77.9-176173-177.70113.4Q229 S230Q229-K232 PolarHBondContact O-N 3.16Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 3.17Å
233S33.5Very low35.7Very low88 Ų88127.6 Ų127.662%0.61569%0.688SS**Hα-helixtrans-78.1-19.4-179.769.40000114S230S230-S233 PolarHBondContact O-N 3.41Å; S230-S233 PolarHBondContact O-OG 3.46Å
234S37.6Very low35.5Very low93 Ų93125 Ų12565%0.6569%0.69SS**THydrogen-bonded Turntrans-1005.6-177.1-53.40000114.5
235L37.8Very low35Very low139 Ų139126.5 Ų126.573%0.72869%0.689SS**SBendtrans-115.7-0.6178.8-79.8163.5000113.5
236N36.6Very low34.6Very low146 Ų146129 Ų12978%0.78170%0.703SS**SBendtrans-10411.3178.6-80.59000113.5
237D36.9Very low34.9Very low126 Ų126128.8 Ų128.867%0.67470%0.701SS**  trans-122.346.8-177.3-155.625.9000111.6
238M38Very low34.8Very low172 Ų172127 Ų12785%0.84771%0.71SS**  trans-128.772.2164.2-59.9-67.914700105.8
239S33.4Very low34.9Very low97 Ų97134.6 Ų134.668%0.67874%0.744SS**  trans-79.3126.6165.650.90000108.7
240D35.9Very low34.9Very low145 Ų145133.6 Ų133.678%0.77575%0.745SS**  trans-8.3120.7156.1-56.6-36.8000116.1
241D32.7Very low35Very low169 Ų169137.3 Ų137.390%0.90476%0.761SS**  trans-127.492.1148.6-82.5-34.5000105.9
242D33.9Very low35Very low141 Ų141139.3 Ų139.375%0.75477%0.774SS**  trans-95.8159.2158.3-87.7-37.8000108.3
243D32Very low34.9Very low153 Ų153138.2 Ų138.282%0.81878%0.779SS**  trans89.1129.5177-52.2-28.1000114.6
244D33.3Very low35Very low148 Ų148141.3 Ų141.379%0.79179%0.789SS**  cis-142.9136.328.3-73.6-57.8000110
245D32.3Very low34.9Very low138 Ų138144.5 Ų144.574%0.73880%0.799SS**  67.711485.6-147.111.7000115.2
246D30.6Very low34.7Very low159 Ų159144.9 Ų144.985%0.8580%0.804SS**  -162.9142.9126.2-146.9-11.1000111.7
247S36.4Very low34.5Very low81 Ų81144.8 Ų144.857%0.56681%0.806SS**  trans-100.6166.3-165.9-66.90000113.5
248S35.9Very low34.3Very low111 Ų111146.4 Ų146.478%0.77682%0.817SS**  trans82.5127.2142.2-57.20000121.6
249D37.1Very low34Very low243 Ų243144.1 Ų144.1100%1.29981%0.814SS**  trans68.50157.6-70.2-17.7000121.2

Retrieved 249 of 249 residues in 81 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).