A0A077ZGF6_TRITR Loading...

D-2-hydroxyglutarate dehydrogenase, mitochondrial

Catalyzes the oxidation of D-2-hydroxyglutarate (D-2-HG) to alpha-ketoglutarate. Also catalyzes the oxidation of other D-2-hydroxyacids, such as D-malate (D-MAL) and D-lactate (D-LAC). Exhibits high activities towards D-2-HG and D-MAL but a very weak activity towards D-LAC.

AlphaFold DB , UniProt , Accession A0A077ZGF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 511 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
1M93.1Very high96.4Very high149 Ų14976.9 Ų76.973%0.73440%0.396SS*.  0-52.70-63.5-175.7-159.800111.1E3 R4 L51M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.17Å; M1-R4 WeakPolarHBondContact O-CB 3.36Å; M1-R4 PolarHBondContact O-N 3.35Å; M1-L51 HydrophobicContact CB-CD1 4.2Å; M1-L51 HydrophobicContact CB-CD2 3.79Å; M1-L51 HydrophobicContact SD-CD1 3.62Å
2L97Very high96.5Very high22 Ų2272.1 Ų72.112%0.11537%0.371CS..Hα-helixtrans-49.8-43.1176.4-66.4167.2000114R4 I5 V6 L11 I35 V37 V48 L51 L79L2-R4 PolarHBondContact O-N 2.96Å; L2-R4 VanDerWaalsContact O-N 3.17Å; L2-I5 WeakPolarHBondContact O-CA 3.34Å; L2-I5 WeakPolarHBondContact O-CB 3.47Å; L2-I5 PolarHBondContact O-N 3.14Å; L2-V6 WeakPolarHBondContact O-CG2 3.33Å; L2-V6 PolarHBondContact O-N 3.47Å; L2-L11 HydrophobicContact CB-CD2 3.87Å; L2-I35 HydrophobicContact CD1-CG2 4.44Å; L2-V37 HydrophobicContact CD2-CG2 4.36Å; L2-V48 HydrophobicContact CD2-CG1 4.11Å; L2-V48 HydrophobicContact CD2-CG2 4.17Å; L2-L51 HydrophobicContact CD2-CD2 3.72Å; L2-L51 HydrophobicContact CG-CD2 3.94Å; L2-L79 HydrophobicContact CD1-CD1 4.09Å; L2-L79 HydrophobicContact CD1-CD2 3.84Å; L2-L79 HydrophobicContact CD2-CD2 4.06Å
3E96.9Very high96.5Very high115 Ų11574 Ų7454%0.53739%0.388SS..Hα-helixtrans-58.2-30.9177.7-165.3-177.816400113.2M1 I5 G7 L11M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.17Å; E3-I5 VanDerWaalsContact C-N 3.27Å; E3-I5 PolarHBondContact O-N 3.22Å; E3-G7 WeakPolarHBondContact O-CA 3.45Å; E3-G7 PolarHBondContact O-N 3.46Å; E3-L11 HydrophobicContact CB-CD1 3.62Å; E3-L11 HydrophobicContact CG-CD1 4.07Å
4R97.8Very high96.5Very high235 Ų23574.3 Ų74.389%0.88739%0.39SS*.Hα-helixtrans-71-25.4175.5-65.6-177.4177.7173.5-1.9112.5M1 L2M1-R4 WeakPolarHBondContact O-CB 3.36Å; M1-R4 PolarHBondContact O-N 3.35Å; L2-R4 PolarHBondContact O-N 2.96Å; L2-R4 VanDerWaalsContact O-N 3.17Å
5I98.2Very high96.5Very high29 Ų2974.2 Ų74.215%0.14940%0.404CS..Hα-helixtrans-83.9-49.9-179-59.8168.4000110.1L2 E3 E44 Q47 V48 L51L2-I5 WeakPolarHBondContact O-CA 3.34Å; L2-I5 WeakPolarHBondContact O-CB 3.47Å; L2-I5 PolarHBondContact O-N 3.14Å; E3-I5 VanDerWaalsContact C-N 3.27Å; E3-I5 PolarHBondContact O-N 3.22Å; I5-E44 HydrophobicContact CG2-CB 4.25Å; I5-E44 HydrophobicContact CG2-CG 4.42Å; I5-Q47 HydrophobicContact CD1-CB 4.06Å; I5-Q47 HydrophobicContact CG1-CB 4.16Å; I5-Q47 HydrophobicContact CG2-CB 3.55Å; I5-V48 HydrophobicContact CD1-CG2 4.41Å; I5-V48 HydrophobicContact CG2-CG2 3.96Å; I5-L51 HydrophobicContact CD1-CB 4.37Å; I5-L51 HydrophobicContact CD1-CD2 4.12Å
6V98Very high96.5Very high15 Ų1577.6 Ų77.69%0.09142%0.422CS..Hα-helixtrans-109-2.6-170.6-590000114.6L2 G10 L11 V37 P39 E44 V48L2-V6 WeakPolarHBondContact O-CG2 3.33Å; L2-V6 PolarHBondContact O-N 3.47Å; V6-G10 WeakPolarHBondContact O-CA 3.3Å; V6-G10 PolarHBondContact O-N 2.96Å; V6-L11 HydrophobicContact CG2-CD2 3.71Å; V6-L11 HydrophobicContact CG2-CG 4.01Å; V6-V37 HydrophobicContact CB-CG2 4.35Å; V6-V37 HydrophobicContact CG1-CG2 3.7Å; V6-V37 HydrophobicContact CG2-CG2 3.8Å; V6-P39 HydrophobicContact CG1-CB 4.02Å; V6-E44 HydrophobicContact CG1-CB 4.32Å; V6-V48 HydrophobicContact CG1-CG2 4.17Å
7G97Very high96.5Very high33 Ų3381.3 Ų81.334%0.3443%0.428SS..  trans70.4168.7-171.700000113.5E3 N9 G10E3-G7 WeakPolarHBondContact O-CA 3.45Å; E3-G7 PolarHBondContact O-N 3.46Å; G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact O-N 2.9Å; G7-G10 PolarHBondContact O-N 3.35Å
8A93.7Very high96.6Very high61 Ų6177.9 Ų77.950%0.50441%0.411SS..G310 helixtrans-57.2-39.5178.300000112.7G10 L11A8-G10 PolarHBondContact O-N 3.47Å; A8-L11 PolarHBondContact O-N 3.3Å; A8-L11 VanDerWaalsContact O-N 3.16Å
9N93.4Very high96.7Very high148 Ų14876.3 Ų76.379%0.79141%0.406SS*.G310 helixtrans-72.6-8.4178.1-66.4-23.7000113.7G7 K85G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact O-N 2.9Å; N9-K85 PolarHBondContact O-NZ 3.43Å
10G97.3Very high96.7Very high0 Ų077.8 Ų77.80%042%0.418CS..G310 helixtrans-92.2-1.4173.300000113.2V6 G7 A8 V37 V38V6-G10 WeakPolarHBondContact O-CA 3.3Å; V6-G10 PolarHBondContact O-N 2.96Å; G7-G10 PolarHBondContact O-N 3.35Å; A8-G10 PolarHBondContact O-N 3.47Å; G10-V37 CarbonylContact O-C 3.5Å; G10-V38 PolarHBondContact O-N 3.04Å
11L98.1Very high96.8Very high39 Ų3974.6 Ų74.620%0.20440%0.402CS..EExtended strand (participates in β ladder)trans-113.2138.2177.1-60.9-179.1000110.8L2 E3 V6 A8 I35 V37L2-L11 HydrophobicContact CB-CD2 3.87Å; E3-L11 HydrophobicContact CB-CD1 3.62Å; E3-L11 HydrophobicContact CG-CD1 4.07Å; V6-L11 HydrophobicContact CG2-CD2 3.71Å; V6-L11 HydrophobicContact CG2-CG 4.01Å; A8-L11 PolarHBondContact O-N 3.3Å; A8-L11 VanDerWaalsContact O-N 3.16Å; L11-I35 HydrophobicContact CD2-CG2 4.17Å; L11-V37 HydrophobicContact CD2-CB 4.37Å; L11-V37 HydrophobicContact CD2-CG2 4.16Å
12I97.7Very high97Very high19 Ų1967.9 Ų67.910%0.09737%0.369CS..EExtended strand (participates in β ladder)trans-118.9117.4170.3-49.1170.5000107.6R17 V36 V38I12-R17 VanDerWaalsContact CD1-CZ 3.5Å; I12-R17 HydrophobicContact CG2-CB 3.47Å; I12-R17 VanDerWaalsContact CG2-CB 3.47Å; I12-R17 HydrophobicContact CG2-CG 4.33Å; I12-V36 HydrophobicContact CB-CB 4.01Å; I12-V36 HydrophobicContact CD1-CB 4.07Å; I12-V36 HydrophobicContact CD1-CG1 4.11Å; I12-V36 HydrophobicContact CG1-CB 4.34Å; I12-V36 PolarHBondContact N-O 3.05Å; I12-V36 PolarHBondContact O-N 2.95Å; I12-V38 HydrophobicContact CD1-CG2 3.65Å; I12-V38 HydrophobicContact CG1-CG2 3.95Å
13T96.6Very high97.1Very high97 Ų9768.7 Ų68.760%0.59538%0.375SS*.  trans-125.42.5173.957.30000111.9I35T13-I35 HydrophobicContact CG2-CG1 4.26Å
14D96Very high97.1Very high78 Ų7863.5 Ų63.542%0.41735%0.351SS..  trans-66.2132.3175.8168.290.4000110.6D16 R17 L18D14-D16 PolarHBondContact O-N 3.24Å; D14-D16 PolarHBondContact OD2-N 3.43Å; D14-R17 HydrophobicContact CB-CB 4.38Å; D14-R17 HydrophobicContact CB-CG 4.45Å; D14-R17 PolarHBondContact O-N 2.67Å; D14-R17 WeakPolarHBondContact OD2-CG 3.21Å; D14-R17 PolarHBondContact OD2-N 3.39Å; D14-L18 WeakPolarHBondContact O-CB 3.4Å; D14-L18 VanDerWaalsContact O-CG 3.25Å; D14-L18 WeakPolarHBondContact O-CG 3.43Å; D14-L18 PolarHBondContact O-N 3.28Å
15A96.4Very high96.9Very high73 Ų7360.1 Ų60.160%0.60334%0.339SS*.Hα-helixtrans-63.2-37.8-171.900000113.3S19A15-S19 WeakPolarHBondContact O-CB 3.44Å; A15-S19 PolarHBondContact O-N 2.91Å
16D97.1Very high96.6Very high128 Ų12861.1 Ų61.168%0.68435%0.346SS*.Hα-helixtrans-70.1-45.7-178.6-70.1-25.1000110.5D14 S19 V20D14-D16 PolarHBondContact O-N 3.24Å; D14-D16 PolarHBondContact OD2-N 3.43Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.87Å; D16-V20 PolarHBondContact O-N 3.39Å; D16-V20 VanDerWaalsContact O-N 3.12Å
17R97.1Very high96.4Very high141 Ų14163 Ų6353%0.53237%0.368SS..Hα-helixtrans-67-37.4177-64.6178.669.9-171.25.1112.1I12 D14 S19 V20 A21I12-R17 VanDerWaalsContact CD1-CZ 3.5Å; I12-R17 HydrophobicContact CG2-CB 3.47Å; I12-R17 VanDerWaalsContact CG2-CB 3.47Å; I12-R17 HydrophobicContact CG2-CG 4.33Å; D14-R17 HydrophobicContact CB-CB 4.38Å; D14-R17 HydrophobicContact CB-CG 4.45Å; D14-R17 PolarHBondContact O-N 2.67Å; D14-R17 WeakPolarHBondContact OD2-CG 3.21Å; D14-R17 PolarHBondContact OD2-N 3.39Å; R17-S19 VanDerWaalsContact C-N 3.35Å; R17-V20 PolarHBondContact O-N 3.43Å; R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 3.44Å
18L98Very high96.1Very high21 Ų2166.2 Ų66.211%0.1138%0.375CS..Hα-helixtrans-64.1-40172.1-75.7174.6000111.4D14 V20 A21 N22 E34 V36D14-L18 WeakPolarHBondContact O-CB 3.4Å; D14-L18 VanDerWaalsContact O-CG 3.25Å; D14-L18 WeakPolarHBondContact O-CG 3.43Å; D14-L18 PolarHBondContact O-N 3.28Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 2.85Å; L18-A21 PolarHBondContact O-N 2.99Å; L18-N22 VanDerWaalsContact O-CB 3.23Å; L18-N22 WeakPolarHBondContact O-CB 3.5Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 PolarHBondContact O-ND2 3.44Å; L18-E34 WeakPolarHBondContact CD1-O 3.5Å; L18-V36 HydrophobicContact CD2-CG2 3.91Å
19S97.6Very high96.2Very high46 Ų4665 Ų6532%0.32236%0.358SS..Hα-helixtrans-58.9-44.6176.9-171.50000111.6A15 D16 R17 T23 R30A15-S19 WeakPolarHBondContact O-CB 3.44Å; A15-S19 PolarHBondContact O-N 2.91Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.87Å; R17-S19 VanDerWaalsContact C-N 3.35Å; S19-T23 PolarHBondContact O-N 2.99Å; S19-T23 PolarHBondContact O-OG1 3.14Å; S19-R30 PolarHBondContact OG-NH2 2.81Å
20V97.5Very high96.4Very high107 Ų10766.2 Ų66.265%0.64835%0.351SS*.Hα-helixtrans-65.5-46175.7176.20000111.6D16 R17 L18 N22 T23 N65D16-V20 PolarHBondContact O-N 3.39Å; D16-V20 VanDerWaalsContact O-N 3.12Å; R17-V20 PolarHBondContact O-N 3.43Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 2.85Å; V20-N22 VanDerWaalsContact C-N 3.29Å; V20-N22 PolarHBondContact O-N 3.33Å; V20-T23 PolarHBondContact O-N 3.34Å; V20-N65 PolarHBondContact O-ND2 3.27Å
21A98Very high96.4Very high10 Ų1066.5 Ų66.58%0.08335%0.354CS..Hα-helixtrans-67.6-28.8-178.600000113.3R17 L18 V36 Q62 I80R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 3.44Å; L18-A21 PolarHBondContact O-N 2.99Å; A21-V36 HydrophobicContact CB-CG2 3.66Å; A21-Q62 PolarHBondContact O-NE2 3.49Å; A21-I80 HydrophobicContact CB-CD1 3.85Å; A21-I80 WeakPolarHBondContact O-CD1 3.46Å
22N98.6Very high96.4Very high8 Ų869.9 Ų69.94%0.04337%0.373CS..Hα-helixtrans-83.4-16.4179.1-83.1-65.5000113.9L18 V20 R30 G31 N32 A33 P74L18-N22 VanDerWaalsContact O-CB 3.23Å; L18-N22 WeakPolarHBondContact O-CB 3.5Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 PolarHBondContact O-ND2 3.44Å; V20-N22 VanDerWaalsContact C-N 3.29Å; V20-N22 PolarHBondContact O-N 3.33Å; N22-R30 CarbonylContact O-C 3.08Å; N22-R30 VanDerWaalsContact O-CA 3.26Å; N22-R30 WeakPolarHBondContact O-CA 3.42Å; N22-G31 PolarHBondContact O-N 2.9Å; N22-G31 VanDerWaalsContact OD1-C 3.24Å; N22-G31 PolarHBondContact OD1-O 2.97Å; N22-N32 PolarHBondContact OD1-N 3.26Å; N22-A33 PolarHBondContact ND2-O 2.83Å; N22-A33 WeakPolarHBondContact OD1-CB 3.27Å; N22-A33 PolarHBondContact OD1-N 2.69Å; N22-P74 WeakPolarHBondContact OD1-CG 3.33Å
23T98.2Very high96.4Very high39 Ų3969.2 Ų69.224%0.23937%0.37CS..BIsolated β-bridgetrans-103.7129.3-176.6-51.90000109.9S19 V20 N65S19-T23 PolarHBondContact O-N 2.99Å; S19-T23 PolarHBondContact O-OG1 3.14Å; V20-T23 PolarHBondContact O-N 3.34Å; T23-N65 PolarHBondContact O-ND2 2.92Å
24D97.1Very high96.5Very high6 Ų671.1 Ų71.13%0.03237%0.372CS..  trans-72.4168179.587.1-60.9000111.8T26 G27 Q28 F29 V73D24-T26 PolarHBondContact O-N 3.29Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 PolarHBondContact OD1-OG1 3.05Å; D24-T26 WeakPolarHBondContact OD2-CB 3.24Å; D24-T26 PolarHBondContact OD2-N 3.41Å; D24-T26 PolarHBondContact OD2-OG1 3.32Å; D24-G27 PolarHBondContact O-N 3.5Å; D24-G27 WeakPolarHBondContact OD1-CA 3.29Å; D24-G27 PolarHBondContact OD1-N 3.47Å; D24-Q28 PolarHBondContact OD1-N 3.46Å; D24-F29 HydrophobicContact CB-CB 4.19Å; D24-F29 PolarHBondContact N-O 2.92Å; D24-F29 PolarHBondContact OD1-N 3.15Å; D24-V73 HydrophobicContact CB-CG1 4.03Å; D24-V73 HydrophobicContact CB-CG2 3.76Å
25W93.9Very high96.5Very high165 Ų16570.1 Ų70.163%0.62537%0.366SS*.THydrogen-bonded Turntrans-55.9-32.4-179.8-174.1-103000113.5T66W25-T66 HydrophobicContact CE3-CG2 4.47Å
26T91.2Very high96.6Very high50 Ų5066.8 Ų66.831%0.30734%0.338SS..THydrogen-bonded Turntrans-85.9-13.3-178.575.30000113.7D24 Q28 L68D24-T26 PolarHBondContact O-N 3.29Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 PolarHBondContact OD1-OG1 3.05Å; D24-T26 WeakPolarHBondContact OD2-CB 3.24Å; D24-T26 PolarHBondContact OD2-N 3.41Å; D24-T26 PolarHBondContact OD2-OG1 3.32Å; T26-Q28 PolarHBondContact O-N 2.92Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.4Å; T26-Q28 WeakPolarHBondContact OG1-CG 3.28Å; T26-Q28 PolarHBondContact OG1-N 2.93Å; T26-Q28 PolarHBondContact OG1-NE2 2.97Å; T26-Q28 VanDerWaalsContact OG1-NE2 3.14Å; T26-L68 HydrophobicContact CG2-CB 4.48Å; T26-L68 HydrophobicContact CG2-CD2 3.76Å
27G93.1Very high96.7Very high54 Ų5460.7 Ų60.756%0.55731%0.306SS*.SBendtrans71.56.5-172.700000114.8D24D24-G27 PolarHBondContact O-N 3.5Å; D24-G27 WeakPolarHBondContact OD1-CA 3.29Å; D24-G27 PolarHBondContact OD1-N 3.47Å
28Q91.2Very high96.8Very high101 Ų10154.2 Ų54.247%0.47228%0.282SS..SBendtrans-81.9-27.4-179.8-68.4176.466.800112.6D24 T26D24-Q28 PolarHBondContact OD1-N 3.46Å; T26-Q28 PolarHBondContact O-N 2.92Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.4Å; T26-Q28 WeakPolarHBondContact OG1-CG 3.28Å; T26-Q28 PolarHBondContact OG1-N 2.93Å; T26-Q28 PolarHBondContact OG1-NE2 2.97Å; T26-Q28 VanDerWaalsContact OG1-NE2 3.14Å
29F96.2Very high96.8Very high36 Ų3653.2 Ų53.216%0.15828%0.277CS..  trans-119.4131.1-176.5-59.6-86000109.8D24 V73 Q471 L472D24-F29 HydrophobicContact CB-CB 4.19Å; D24-F29 PolarHBondContact N-O 2.92Å; D24-F29 PolarHBondContact OD1-N 3.15Å; F29-V73 HydrophobicContact CB-CG2 3.92Å; F29-Q471 HydrophobicContact CD1-CB 3.99Å; F29-Q471 HydrophobicContact CD1-CG 4.46Å; F29-Q471 HydrophobicContact CE1-CB 3.73Å; F29-Q471 HydrophobicContact CZ-CB 4.3Å; F29-L472 HydrophobicContact CE2-CB 4.08Å; F29-L472 HydrophobicContact CE2-CD1 4.37Å; F29-L472 HydrophobicContact CZ-CB 3.76Å; F29-L472 HydrophobicContact CZ-CD1 3.92Å; F29-L472 HydrophobicContact CZ-CG 4.41Å
30R97.5Very high96.8Very high172 Ų17253.7 Ų53.765%0.64928%0.28SS*.BIsolated β-bridgetrans-137.8120.8176.3-173.4175.1-179170.56.1110.5S19 N22S19-R30 PolarHBondContact OG-NH2 2.81Å; N22-R30 CarbonylContact O-C 3.08Å; N22-R30 VanDerWaalsContact O-CA 3.26Å; N22-R30 WeakPolarHBondContact O-CA 3.42Å
31G97.7Very high96.9Very high6 Ų649.8 Ų49.86%0.06226%0.258CS..  trans-91.7-170.6170.400000112.7N22 P74N22-G31 PolarHBondContact O-N 2.9Å; N22-G31 VanDerWaalsContact OD1-C 3.24Å; N22-G31 PolarHBondContact OD1-O 2.97Å; G31-P74 WeakPolarHBondContact CA-O 3.42Å; G31-P74 PolarHBondContact N-O 2.7Å
32N97.7Very high96.9Very high110 Ų11049.4 Ų49.459%0.58825%0.254SS*.  trans-139.540.8-175.1-164.557000112.1N22 N76N22-N32 PolarHBondContact OD1-N 3.26Å; N32-N76 CarbonylContact C-O 3.53Å; N32-N76 WeakPolarHBondContact CA-O 3.24Å; N32-N76 PolarHBondContact N-O 2.83Å
33A98.1Very high96.9Very high5 Ų553.1 Ų53.14%0.04127%0.274CS..  trans-64134.4171.300000110.9N22 P74 E78 I80N22-A33 PolarHBondContact ND2-O 2.83Å; N22-A33 WeakPolarHBondContact OD1-CB 3.27Å; N22-A33 PolarHBondContact OD1-N 2.69Å; A33-P74 HydrophobicContact CB-CG 3.88Å; A33-E78 WeakPolarHBondContact CB-O 3.22Å; A33-I80 HydrophobicContact CB-CD1 3.73Å; A33-I80 HydrophobicContact CB-CG1 3.69Å
34E97.6Very high96.9Very high138 Ų13852.8 Ų52.865%0.64527%0.27SS*.SBendtrans-91.8-15.2178.8-59.8-178.7162.200112.4L18L18-E34 WeakPolarHBondContact CD1-O 3.5Å
35I97.7Very high96.9Very high57 Ų5752.5 Ų52.529%0.29227%0.268SS..  trans-141.6136.8-175.7-55.4178.2000108.9L2 L11 T13 L79 I80L2-I35 HydrophobicContact CD1-CG2 4.44Å; L11-I35 HydrophobicContact CD2-CG2 4.17Å; T13-I35 HydrophobicContact CG2-CG1 4.26Å; I35-L79 HydrophobicContact CB-CD1 3.75Å; I35-L79 HydrophobicContact CG2-CD1 3.72Å; I35-L79 WeakPolarHBondContact O-CD1 3.13Å; I35-I80 PolarHBondContact O-N 2.87Å
36V98.6Very high97.2Very high3 Ų346.1 Ų46.12%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-109.3125.8158.8-178.20000108.2I12 L18 A21 V38 I80I12-V36 HydrophobicContact CB-CB 4.01Å; I12-V36 HydrophobicContact CD1-CB 4.07Å; I12-V36 HydrophobicContact CD1-CG1 4.11Å; I12-V36 HydrophobicContact CG1-CB 4.34Å; I12-V36 PolarHBondContact N-O 3.05Å; I12-V36 PolarHBondContact O-N 2.95Å; L18-V36 HydrophobicContact CD2-CG2 3.91Å; A21-V36 HydrophobicContact CB-CG2 3.66Å; V36-V38 HydrophobicContact CG1-CG2 3.99Å; V36-I80 CarbonylContact C-O 3.49Å; V36-I80 WeakPolarHBondContact CA-O 3.17Å; V36-I80 HydrophobicContact CB-CB 4.22Å; V36-I80 HydrophobicContact CB-CG2 4.46Å; V36-I80 HydrophobicContact CG1-CB 4.1Å; V36-I80 HydrophobicContact CG1-CG2 3.85Å; V36-I80 HydrophobicContact CG2-CB 3.84Å; V36-I80 HydrophobicContact CG2-CD1 3.98Å; V36-I80 HydrophobicContact CG2-CG1 4.43Å; V36-I80 HydrophobicContact CG2-CG2 4.13Å
37V98.7Very high97.5Very high0 Ų047.9 Ų47.90%025%0.251CS..EExtended strand (participates in β ladder)trans-96.1131.4171.567.30000109.4L2 V6 G10 L11 P39 V48 L79 I80 L81 S82L2-V37 HydrophobicContact CD2-CG2 4.36Å; V6-V37 HydrophobicContact CB-CG2 4.35Å; V6-V37 HydrophobicContact CG1-CG2 3.7Å; V6-V37 HydrophobicContact CG2-CG2 3.8Å; G10-V37 CarbonylContact O-C 3.5Å; L11-V37 HydrophobicContact CD2-CB 4.37Å; L11-V37 HydrophobicContact CD2-CG2 4.16Å; V37-P39 VanDerWaalsContact C-CD 3.47Å; V37-P39 WeakPolarHBondContact O-CD 3.12Å; V37-V48 HydrophobicContact CG1-CG1 4.11Å; V37-V48 HydrophobicContact CG2-CG2 3.94Å; V37-L79 HydrophobicContact CB-CD1 4.32Å; V37-L79 HydrophobicContact CG1-CD1 4.21Å; V37-L79 HydrophobicContact CG1-CD2 4.11Å; V37-L79 HydrophobicContact CG1-CG 4.12Å; V37-I80 WeakPolarHBondContact CG1-O 3.49Å; V37-I80 PolarHBondContact N-O 3.05Å; V37-L81 HydrophobicContact CG1-CB 3.88Å; V37-L81 HydrophobicContact CG1-CD1 4.28Å; V37-L81 HydrophobicContact CG1-CG 3.98Å; V37-L81 WeakPolarHBondContact O-CA 3.08Å; V37-S82 PolarHBondContact O-N 2.98Å
38V98.5Very high97.8Very high5 Ų545.3 Ų45.33%0.0322%0.224CC..  trans-126.373.5-172.5-165.80000109.5G10 I12 V36 C84 K85G10-V38 PolarHBondContact O-N 3.04Å; I12-V38 HydrophobicContact CD1-CG2 3.65Å; I12-V38 HydrophobicContact CG1-CG2 3.95Å; V36-V38 HydrophobicContact CG1-CG2 3.99Å; V38-C84 WeakPolarHBondContact CG1-SG 3.36Å; V38-K85 HydrophobicContact CG1-CB 4.22Å; V38-K85 HydrophobicContact CG1-CD 3.82Å; V38-K85 HydrophobicContact CG1-CG 3.7Å
39P98.5Very high98.1Very high0 Ų040.5 Ų40.50%020%0.202CC..  trans-63.9151.3178.825.9-32.1000111.4V6 V37 E44 I45 L81 S82 K85 L86V6-P39 HydrophobicContact CG1-CB 4.02Å; V37-P39 VanDerWaalsContact C-CD 3.47Å; V37-P39 WeakPolarHBondContact O-CD 3.12Å; P39-E44 WeakPolarHBondContact CA-OE2 3.43Å; P39-E44 HydrophobicContact CB-CB 3.61Å; P39-I45 HydrophobicContact CB-CG1 3.77Å; P39-I45 HydrophobicContact CG-CD1 4.1Å; P39-I45 HydrophobicContact CG-CG1 3.32Å; P39-L81 HydrophobicContact CG-CD2 4.28Å; P39-L81 HydrophobicContact CG-CG 4.26Å; P39-S82 WeakPolarHBondContact CD-O 3.36Å; P39-K85 WeakPolarHBondContact O-CB 3.47Å; P39-L86 HydrophobicContact CG-CD1 4.48Å; P39-L86 WeakPolarHBondContact O-CD1 3.16Å
40S97.9Very high98.3Very high55 Ų5542.9 Ų42.939%0.38521%0.214SC..SBendtrans-105.3-3.3-178.475.20000114E44S40-E44 PolarHBondContact N-OE2 3.32Å; S40-E44 PolarHBondContact OG-OE1 3.37Å; S40-E44 PolarHBondContact OG-OE2 3.11Å
41S98.3Very high98.3Very high26 Ų2636 Ų3618%0.18219%0.189CC..SBendtrans-152.5161.5-179.870.20000112.2D43 E44 I45S41-D43 PolarHBondContact O-N 3.5Å; S41-D43 PolarHBondContact OG-N 2.83Å; S41-E44 PolarHBondContact O-N 3.3Å; S41-E44 PolarHBondContact OG-N 2.96Å; S41-I45 PolarHBondContact O-N 3.04Å; S41-I45 VanDerWaalsContact O-N 3.12Å
42S98.2Very high98.3Very high1 Ų135.7 Ų35.71%0.00719%0.186CC..Hα-helixtrans-61.1-28.3172.7-440000112.8L46 E160 T201S42-L46 WeakPolarHBondContact O-CB 3.44Å; S42-L46 PolarHBondContact O-N 3.46Å; S42-E160 WeakPolarHBondContact CB-OE1 3.46Å; S42-E160 PolarHBondContact OG-OE1 3.3Å; S42-T201 WeakPolarHBondContact OG-CB 3.46Å
43D98.4Very high98.3Very high86 Ų8632.4 Ų32.446%0.4617%0.17SC..Hα-helixtrans-74-35.1177.9-66.1-34.4000112.2S41 L46 Q47 K170S41-D43 PolarHBondContact O-N 3.5Å; S41-D43 PolarHBondContact OG-N 2.83Å; D43-L46 PolarHBondContact O-N 3.12Å; D43-Q47 WeakPolarHBondContact O-CG 3.42Å; D43-Q47 PolarHBondContact O-N 2.9Å; D43-Q47 VanDerWaalsContact O-N 3.07Å; D43-Q47 PolarHBondContact O-NE2 2.85Å; D43-K170 IonicContact OD1-NZ 2.69Å; D43-K170 PolarHBondContact OD1-NZ 2.97Å
44E98.5Very high98.3Very high33 Ų3335.3 Ų35.315%0.15419%0.194CC..Hα-helixtrans-67.5-41.2171-73.6177.4-155.800111.2I5 V6 P39 S40 S41 L46 Q47 V48I5-E44 HydrophobicContact CG2-CB 4.25Å; I5-E44 HydrophobicContact CG2-CG 4.42Å; V6-E44 HydrophobicContact CG1-CB 4.32Å; P39-E44 WeakPolarHBondContact CA-OE2 3.43Å; P39-E44 HydrophobicContact CB-CB 3.61Å; S40-E44 PolarHBondContact N-OE2 3.32Å; S40-E44 PolarHBondContact OG-OE1 3.37Å; S40-E44 PolarHBondContact OG-OE2 3.11Å; S41-E44 PolarHBondContact O-N 3.3Å; S41-E44 PolarHBondContact OG-N 2.96Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 2.98Å; E44-Q47 PolarHBondContact O-N 3.29Å; E44-V48 WeakPolarHBondContact O-CG2 3.27Å; E44-V48 PolarHBondContact O-N 2.89Å
45I98.6Very high98.3Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-59.2-44.1173.7-67.8173.2000110.6P39 S41 Q47 V48 I49 L81 L86 I162 I199 T201P39-I45 HydrophobicContact CB-CG1 3.77Å; P39-I45 HydrophobicContact CG-CD1 4.1Å; P39-I45 HydrophobicContact CG-CG1 3.32Å; S41-I45 PolarHBondContact O-N 3.04Å; S41-I45 VanDerWaalsContact O-N 3.12Å; I45-Q47 PolarHBondContact O-N 3.26Å; I45-V48 PolarHBondContact O-N 3.08Å; I45-I49 HydrophobicContact CG2-CG1 4.35Å; I45-I49 WeakPolarHBondContact O-CB 3.36Å; I45-I49 WeakPolarHBondContact O-CG1 3.43Å; I45-I49 PolarHBondContact O-N 2.95Å; I45-L81 HydrophobicContact CD1-CD2 4.49Å; I45-L81 HydrophobicContact CG1-CD2 4.43Å; I45-L81 HydrophobicContact CG2-CD1 4.33Å; I45-L86 HydrophobicContact CD1-CD1 3.76Å; I45-L86 HydrophobicContact CD1-CD2 3.54Å; I45-L86 HydrophobicContact CD1-CG 4.33Å; I45-I162 HydrophobicContact CB-CG1 4.19Å; I45-I162 HydrophobicContact CG2-CB 3.85Å; I45-I162 HydrophobicContact CG2-CG1 3.68Å; I45-I162 HydrophobicContact CG2-CG2 4.13Å; I45-I199 HydrophobicContact CD1-CG2 4.22Å; I45-I199 HydrophobicContact CG2-CB 4.21Å; I45-I199 HydrophobicContact CG2-CD1 3.7Å; I45-I199 HydrophobicContact CG2-CG2 4.13Å; I45-T201 HydrophobicContact CD1-CG2 3.55Å; I45-T201 HydrophobicContact CG2-CG2 4.43Å
46L98.7Very high98.2Very high31 Ų3138 Ų3816%0.16221%0.205CC..Hα-helixtrans-58.3-47.1177179.260.9000111.9S42 D43 E44 V48 I49 Q50 I162S42-L46 WeakPolarHBondContact O-CB 3.44Å; S42-L46 PolarHBondContact O-N 3.46Å; D43-L46 PolarHBondContact O-N 3.12Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 2.98Å; L46-V48 PolarHBondContact O-N 3.41Å; L46-I49 PolarHBondContact O-N 2.68Å; L46-Q50 HydrophobicContact CD1-CG 4.41Å; L46-Q50 WeakPolarHBondContact O-CB 3.42Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 3.21Å; L46-I162 HydrophobicContact CB-CD1 4.25Å; L46-I162 HydrophobicContact CB-CG2 4.36Å; L46-I162 HydrophobicContact CD1-CG2 4Å
47Q98.7Very high98.2Very high87 Ų8741.3 Ų41.341%0.40722%0.222SC..Hα-helixtrans-64.5-38.9177.6-73.6173.66600112.6I5 D43 E44 I45 Q50 L51I5-Q47 HydrophobicContact CD1-CB 4.06Å; I5-Q47 HydrophobicContact CG1-CB 4.16Å; I5-Q47 HydrophobicContact CG2-CB 3.55Å; D43-Q47 WeakPolarHBondContact O-CG 3.42Å; D43-Q47 PolarHBondContact O-N 2.9Å; D43-Q47 VanDerWaalsContact O-N 3.07Å; D43-Q47 PolarHBondContact O-NE2 2.85Å; E44-Q47 PolarHBondContact O-N 3.29Å; I45-Q47 PolarHBondContact O-N 3.26Å; Q47-Q50 PolarHBondContact O-N 3.42Å; Q47-L51 PolarHBondContact O-N 3.28Å
48V98.6Very high98.1Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-63.5-43.5174.4171.90000110.8L2 I5 V6 V37 E44 I45 L46 L51 C52 L81L2-V48 HydrophobicContact CD2-CG1 4.11Å; L2-V48 HydrophobicContact CD2-CG2 4.17Å; I5-V48 HydrophobicContact CD1-CG2 4.41Å; I5-V48 HydrophobicContact CG2-CG2 3.96Å; V6-V48 HydrophobicContact CG1-CG2 4.17Å; V37-V48 HydrophobicContact CG1-CG1 4.11Å; V37-V48 HydrophobicContact CG2-CG2 3.94Å; E44-V48 WeakPolarHBondContact O-CG2 3.27Å; E44-V48 PolarHBondContact O-N 2.89Å; I45-V48 PolarHBondContact O-N 3.08Å; L46-V48 PolarHBondContact O-N 3.41Å; V48-L51 PolarHBondContact O-N 3.1Å; V48-C52 PolarHBondContact O-N 2.94Å; V48-C52 PolarHBondContact O-SG 2.81Å; V48-L81 HydrophobicContact CB-CD1 4.4Å; V48-L81 HydrophobicContact CG1-CD1 3.89Å
49I98.5Very high98.1Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-61.9-46.2176.8-75.5-75.6000110.9I45 L46 L51 C52 V53 L59 I162 I199 L502I45-I49 HydrophobicContact CG2-CG1 4.35Å; I45-I49 WeakPolarHBondContact O-CB 3.36Å; I45-I49 WeakPolarHBondContact O-CG1 3.43Å; I45-I49 PolarHBondContact O-N 2.95Å; L46-I49 PolarHBondContact O-N 2.68Å; I49-L51 VanDerWaalsContact C-N 3.29Å; I49-L51 PolarHBondContact O-N 3.21Å; I49-C52 PolarHBondContact O-N 2.97Å; I49-C52 VanDerWaalsContact O-N 3.12Å; I49-V53 HydrophobicContact CG2-CG2 4.32Å; I49-V53 WeakPolarHBondContact O-CG2 3.29Å; I49-V53 PolarHBondContact O-N 2.63Å; I49-L59 HydrophobicContact CD1-CD1 3.45Å; I49-L59 VanDerWaalsContact CD1-CD1 3.45Å; I49-L59 HydrophobicContact CG1-CD1 4.49Å; I49-I162 HydrophobicContact CB-CG2 4.01Å; I49-I162 HydrophobicContact CG1-CG2 3.78Å; I49-I162 HydrophobicContact CG2-CG2 4.2Å; I49-I199 HydrophobicContact CD1-CD1 3.68Å; I49-I199 HydrophobicContact CG1-CD1 3.9Å; I49-L502 HydrophobicContact CD1-CD2 3.71Å
50Q98.6Very high98.1Very high86 Ų8643 Ų4340%0.40223%0.234SC..Hα-helixtrans-57.3-43.7176.8-74.6168.8-18.900111.8L46 Q47 V53 A54 G167L46-Q50 HydrophobicContact CD1-CG 4.41Å; L46-Q50 WeakPolarHBondContact O-CB 3.42Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 3.21Å; Q47-Q50 PolarHBondContact O-N 3.42Å; Q50-V53 PolarHBondContact O-N 3.15Å; Q50-A54 WeakPolarHBondContact O-CB 3.41Å; Q50-A54 PolarHBondContact O-N 3.07Å; Q50-G167 WeakPolarHBondContact CA-O 3.35Å; Q50-G167 VanDerWaalsContact CG-O 3.24Å; Q50-G167 WeakPolarHBondContact CG-O 3.27Å
51L98.3Very high98.1Very high26 Ų2641.6 Ų41.614%0.13622%0.222CC..Hα-helixtrans-63.1-45.9174.6177.465.2000111.8M1 L2 I5 Q47 V48 I49 V53 A54 E55M1-L51 HydrophobicContact CB-CD1 4.2Å; M1-L51 HydrophobicContact CB-CD2 3.79Å; M1-L51 HydrophobicContact SD-CD1 3.62Å; L2-L51 HydrophobicContact CD2-CD2 3.72Å; L2-L51 HydrophobicContact CG-CD2 3.94Å; I5-L51 HydrophobicContact CD1-CB 4.37Å; I5-L51 HydrophobicContact CD1-CD2 4.12Å; Q47-L51 PolarHBondContact O-N 3.28Å; V48-L51 PolarHBondContact O-N 3.1Å; I49-L51 VanDerWaalsContact C-N 3.29Å; I49-L51 PolarHBondContact O-N 3.21Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 3.44Å; L51-E55 HydrophobicContact CD1-CG 3.81Å; L51-E55 HydrophobicContact CG-CG 4.49Å; L51-E55 WeakPolarHBondContact O-CB 3.26Å; L51-E55 WeakPolarHBondContact O-CG 3.28Å; L51-E55 PolarHBondContact O-N 3.21Å
52C98.2Very high98.2Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-65.7-36.1-179.5-66.10000112.5V48 I49 H56 L57 L59 I501V48-C52 PolarHBondContact O-N 2.94Å; V48-C52 PolarHBondContact O-SG 2.81Å; I49-C52 PolarHBondContact O-N 2.97Å; I49-C52 VanDerWaalsContact O-N 3.12Å; C52-H56 CarbonylContact O-C 3.59Å; C52-H56 VanDerWaalsContact O-CA 3.28Å; C52-H56 WeakPolarHBondContact O-CA 3.29Å; C52-H56 PolarHBondContact O-N 3.41Å; C52-L57 HydrophobicContact CB-CB 4.12Å; C52-L57 PolarHBondContact O-N 3.28Å; C52-L59 HydrophobicContact CB-CD1 3.97Å; C52-L59 HydrophobicContact CB-CG 4.25Å; C52-I501 HydrophobicContact CB-CD1 3.89Å
53V98.1Very high98.2Very high41 Ų4141.9 Ų41.925%0.24823%0.225CC..Hα-helixtrans-65.3-46.6173.6173.70000110.7I49 Q50 L51 E55 H56 P164 I501I49-V53 HydrophobicContact CG2-CG2 4.32Å; I49-V53 WeakPolarHBondContact O-CG2 3.29Å; I49-V53 PolarHBondContact O-N 2.63Å; Q50-V53 PolarHBondContact O-N 3.15Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.98Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 2.88Å; V53-H56 PolarHBondContact O-N 3.34Å; V53-P164 HydrophobicContact CG2-CB 3.72Å; V53-I501 HydrophobicContact CG2-CD1 3.56Å
54A97.8Very high98.2Very high66 Ų6638.9 Ų38.955%0.54521%0.214SC..Hα-helixtrans-61.8-41179.800000112.6Q50 L51 H56Q50-A54 WeakPolarHBondContact O-CB 3.41Å; Q50-A54 PolarHBondContact O-N 3.07Å; L51-A54 PolarHBondContact O-N 3.44Å; A54-H56 PolarHBondContact O-ND1 2.83Å
55E97.2Very high98.1Very high107 Ų10738.3 Ų38.350%0.521%0.212SC..Hα-helixtrans-94.72.6-176.2-60.4-61.9151.500113.4L51 V53 L57L51-E55 HydrophobicContact CD1-CG 3.81Å; L51-E55 HydrophobicContact CG-CG 4.49Å; L51-E55 WeakPolarHBondContact O-CB 3.26Å; L51-E55 WeakPolarHBondContact O-CG 3.28Å; L51-E55 PolarHBondContact O-N 3.21Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 2.88Å; E55-L57 HydrophobicContact CB-CD1 3.84Å; E55-L57 HydrophobicContact CB-CG 3.73Å; E55-L57 PolarHBondContact O-N 2.88Å
56H96.2Very high98.1Very high146 Ų14639.9 Ų39.968%0.67622%0.222SC*.THydrogen-bonded Turntrans5338.5-175.6-54.574.9000113.3C52 V53 A54C52-H56 CarbonylContact O-C 3.59Å; C52-H56 VanDerWaalsContact O-CA 3.28Å; C52-H56 WeakPolarHBondContact O-CA 3.29Å; C52-H56 PolarHBondContact O-N 3.41Å; V53-H56 PolarHBondContact O-N 3.34Å; A54-H56 PolarHBondContact O-ND1 2.83Å
57L97.3Very high97.9Very high71 Ų7139.3 Ų39.337%0.37222%0.221SC..  trans-86.1122-178.5-64.8172000110.5C52 E55C52-L57 HydrophobicContact CB-CB 4.12Å; C52-L57 PolarHBondContact O-N 3.28Å; E55-L57 HydrophobicContact CB-CD1 3.84Å; E55-L57 HydrophobicContact CB-CG 3.73Å; E55-L57 PolarHBondContact O-N 2.88Å
58P97.8Very high97.8Very high42 Ų4238.3 Ų38.327%0.27322%0.218SC..  trans-71.8144.5174.929.1-32.7000111.2E78 L79 I501 P504P58-E78 HydrophobicContact CB-CB 4.19Å; P58-E78 HydrophobicContact CB-CG 3.7Å; P58-E78 HydrophobicContact CG-CB 4.33Å; P58-E78 HydrophobicContact CG-CG 3.95Å; P58-E78 CarbonylContact O-C 3.5Å; P58-E78 WeakPolarHBondContact O-CA 3.34Å; P58-L79 PolarHBondContact O-N 3.47Å; P58-I501 CarbonylContact C-O 3.5Å; P58-I501 WeakPolarHBondContact CA-O 3.45Å; P58-P504 HydrophobicContact CB-CG 3.74Å
59L98.1Very high97.6Very high0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-117.7137.3-177.8-76.3169000111I49 C52 L79 L81 I501 L502 N503I49-L59 HydrophobicContact CD1-CD1 3.45Å; I49-L59 VanDerWaalsContact CD1-CD1 3.45Å; I49-L59 HydrophobicContact CG1-CD1 4.49Å; C52-L59 HydrophobicContact CB-CD1 3.97Å; C52-L59 HydrophobicContact CB-CG 4.25Å; L59-L79 CarbonylContact C-O 3.52Å; L59-L79 VanDerWaalsContact CA-O 3.27Å; L59-L79 WeakPolarHBondContact CA-O 3.15Å; L59-L79 HydrophobicContact CD2-CB 3.91Å; L59-L79 HydrophobicContact CD2-CD2 3.72Å; L59-L79 HydrophobicContact CD2-CG 3.78Å; L59-L79 WeakPolarHBondContact CD2-O 3.34Å; L59-L81 HydrophobicContact CD2-CB 4.19Å; L59-I501 HydrophobicContact CD1-CD1 4.48Å; L59-I501 PolarHBondContact N-O 3.31Å; L59-L502 HydrophobicContact CB-CD2 4.17Å; L59-L502 HydrophobicContact CD1-CD2 3.85Å; L59-N503 WeakPolarHBondContact O-CA 3.46Å; L59-N503 PolarHBondContact O-N 3.09Å
60C98.5Very high97.6Very high0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-106.2114163.2-173.80000109.6P74 E78 L79 I80 L81 N503 K506C60-P74 HydrophobicContact CB-CB 4.17Å; C60-P74 VanDerWaalsContact SG-N 3.41Å; C60-E78 HydrophobicContact CB-CB 4.19Å; C60-L79 PolarHBondContact N-O 2.75Å; C60-I80 HydrophobicContact CB-CG1 4.32Å; C60-I80 CarbonylContact O-C 3.59Å; C60-I80 VanDerWaalsContact O-CA 3.32Å; C60-I80 WeakPolarHBondContact O-CA 3.36Å; C60-L81 PolarHBondContact O-N 3.25Å; C60-N503 VanDerWaalsContact CA-OD1 3.25Å; C60-N503 WeakPolarHBondContact CA-OD1 3.39Å; C60-K506 PolarHBondContact SG-NZ 3.16Å; C60-K506 VanDerWaalsContact SG-NZ 3.42Å
61I98.5Very high97.5Very high25 Ų2535 Ų3513%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-83128.7-178.7-54.2161.1000108.8G195 I199 L502 N503I61-G195 VanDerWaalsContact CD1-O 3.24Å; I61-G195 WeakPolarHBondContact CD1-O 3.46Å; I61-I199 HydrophobicContact CD1-CD1 4.42Å; I61-I199 HydrophobicContact CD1-CG1 3.5Å; I61-I199 HydrophobicContact CG1-CD1 4.3Å; I61-I199 HydrophobicContact CG1-CG1 3.8Å; I61-I199 HydrophobicContact CG2-CG1 4.38Å; I61-I199 HydrophobicContact CG2-CG2 4.36Å; I61-L502 HydrophobicContact CD1-CD1 4.48Å; I61-L502 HydrophobicContact CD1-CD2 4.31Å; I61-N503 PolarHBondContact N-OD1 3.28Å
62Q98.8Very high97.5Very high13 Ų1334.3 Ų34.36%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-132.7122.5-174.2-169.2174.790.900112.1A21 N65 S72 I80 L81 S82 T83A21-Q62 PolarHBondContact O-NE2 3.49Å; Q62-N65 HydrophobicContact CG-CB 4.04Å; Q62-S72 PolarHBondContact NE2-O 3.26Å; Q62-I80 HydrophobicContact CB-CG2 3.78Å; Q62-L81 PolarHBondContact N-O 3.37Å; Q62-S82 VanDerWaalsContact O-CA 3.29Å; Q62-S82 WeakPolarHBondContact O-CA 3.3Å; Q62-T83 PolarHBondContact O-N 3.07Å
63G98.4Very high97.5Very high19 Ų1934.3 Ų34.320%0.19620%0.203CC..SBendtrans-90.9-121.3166.100000110.9N65G63-N65 PolarHBondContact O-N 3.43Å
64G98Very high97.5Very high23 Ų2332.4 Ų32.424%0.23719%0.192CC..SBendtrans-72.3-1.6178.500000116.4T66 S130G64-T66 VanDerWaalsContact C-N 3.32Å; G64-T66 WeakPolarHBondContact O-CG2 3.25Å; G64-T66 PolarHBondContact O-N 3.02Å; G64-S130 VanDerWaalsContact CA-O 3.23Å; G64-S130 WeakPolarHBondContact CA-O 3.4Å
65N98Very high97.5Very high21 Ų2131.4 Ų31.411%0.11218%0.179CC..SBendtrans5439.5-174.9-162.527.5000114.9V20 T23 Q62 G63 S72 V73V20-N65 PolarHBondContact O-ND2 3.27Å; T23-N65 PolarHBondContact O-ND2 2.92Å; Q62-N65 HydrophobicContact CG-CB 4.04Å; G63-N65 PolarHBondContact O-N 3.43Å; N65-S72 WeakPolarHBondContact OD1-CB 3.5Å; N65-S72 PolarHBondContact OD1-OG 3.36Å; N65-V73 VanDerWaalsContact OD1-CG1 3.31Å; N65-V73 WeakPolarHBondContact OD1-CG1 3.3Å
66T97.1Very high97.5Very high33 Ų3330.2 Ų30.220%0.20218%0.176CC..  trans-10616.4-177.861.10000113.6W25 G64 A127W25-T66 HydrophobicContact CE3-CG2 4.47Å; G64-T66 VanDerWaalsContact C-N 3.32Å; G64-T66 WeakPolarHBondContact O-CG2 3.25Å; G64-T66 PolarHBondContact O-N 3.02Å; T66-A127 HydrophobicContact CG2-CB 4.04Å
67S96Very high97.5Very high20 Ų2028.2 Ų28.214%0.1417%0.17CC..  trans-72.8144.1-178.7126.70000111.2V69 G70 G71S67-V69 PolarHBondContact OG-N 2.75Å; S67-G70 PolarHBondContact OG-N 2.74Å; S67-G71 PolarHBondContact OG-N 3.18Å; S67-G71 VanDerWaalsContact OG-N 3.11Å
68L95.1Very high97.6Very high66 Ų6624.9 Ų24.935%0.34615%0.153SC..SBendtrans-99.45.5178.9-59.1179.2000114T26T26-L68 HydrophobicContact CG2-CB 4.48Å; T26-L68 HydrophobicContact CG2-CD2 3.76Å
69V96.2Very high97.6Very high2 Ų223.7 Ų23.71%0.01214%0.144CC..SBendtrans-123.513.9-174.7-65.30000113S67 G71 H467 G470 Q471 L472 K473S67-V69 PolarHBondContact OG-N 2.75Å; V69-G71 PolarHBondContact O-N 2.93Å; V69-H467 HydrophobicContact CG1-CB 3.88Å; V69-H467 WeakPolarHBondContact CG2-O 2.9Å; V69-G470 CarbonylContact O-C 3.58Å; V69-G470 WeakPolarHBondContact O-CA 3.46Å; V69-Q471 PolarHBondContact O-N 2.86Å; V69-L472 HydrophobicContact CB-CB 4.15Å; V69-L472 HydrophobicContact CG1-CD2 4.4Å; V69-L472 PolarHBondContact O-N 3.43Å; V69-K473 HydrophobicContact CG1-CD 4.43Å
70G96.9Very high97.6Very high0 Ų023.7 Ų23.70%014%0.144CC..SBendtrans69.711.4-176.800000114.5S67 S72 Q471S67-G70 PolarHBondContact OG-N 2.74Å; G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 3.22Å; G70-Q471 WeakPolarHBondContact O-CG 3.41Å; G70-Q471 PolarHBondContact O-NE2 3.28Å
71G97.3Very high97.6Very high13 Ų1323.7 Ų23.713%0.13414%0.144CC..THydrogen-bonded Turntrans-59.8-39.5-178.900000113.2S67 V69 V73 K506S67-G71 PolarHBondContact OG-N 3.18Å; S67-G71 VanDerWaalsContact OG-N 3.11Å; V69-G71 PolarHBondContact O-N 2.93Å; G71-V73 PolarHBondContact O-N 3.39Å; G71-K506 WeakPolarHBondContact O-CD 3.42Å; G71-K506 PolarHBondContact O-NZ 3.24Å
72S97.8Very high97.7Very high13 Ų1323 Ų239%0.09114%0.141CC..THydrogen-bonded Turntrans-84.8-2.9-168.853.60000116.4Q62 N65 G70Q62-S72 PolarHBondContact NE2-O 3.26Å; N65-S72 WeakPolarHBondContact OD1-CB 3.5Å; N65-S72 PolarHBondContact OD1-OG 3.36Å; G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 3.22Å
73V98.4Very high97.6Very high0 Ų022.7 Ų22.70%014%0.14CC..SBendtrans-127143.4-177.7-610000112.5D24 F29 N65 G71 Q471 K506D24-V73 HydrophobicContact CB-CG1 4.03Å; D24-V73 HydrophobicContact CB-CG2 3.76Å; F29-V73 HydrophobicContact CB-CG2 3.92Å; N65-V73 VanDerWaalsContact OD1-CG1 3.31Å; N65-V73 WeakPolarHBondContact OD1-CG1 3.3Å; G71-V73 PolarHBondContact O-N 3.39Å; V73-Q471 PolarHBondContact O-NE2 3.01Å; V73-Q471 VanDerWaalsContact O-NE2 3.1Å; V73-K506 WeakPolarHBondContact O-CE 3.29Å; V73-K506 PolarHBondContact O-NZ 3.4Å
74P98.5Very high97.6Very high0 Ų024.1 Ų24.10%015%0.147CC..  trans-55.3154.9-177.817.9-28.7000113N22 G31 A33 C60 E78 I80N22-P74 WeakPolarHBondContact OD1-CG 3.33Å; G31-P74 WeakPolarHBondContact CA-O 3.42Å; G31-P74 PolarHBondContact N-O 2.7Å; A33-P74 HydrophobicContact CB-CG 3.88Å; C60-P74 HydrophobicContact CB-CB 4.17Å; C60-P74 VanDerWaalsContact SG-N 3.41Å; P74-E78 WeakPolarHBondContact CA-OE2 3.38Å; P74-E78 HydrophobicContact CB-CB 4.12Å; P74-E78 WeakPolarHBondContact CB-OE2 3.48Å; P74-I80 HydrophobicContact CG-CD1 3.86Å; P74-I80 HydrophobicContact CG-CG1 3.92Å
75V97.6Very high97.6Very high46 Ų4626.7 Ų26.728%0.27915%0.151SC..SBendtrans-91.1-40.5171.5-177.90000110.3E78 Q471 H505 K506V75-E78 PolarHBondContact N-OE1 2.87Å; V75-E78 VanDerWaalsContact N-OE1 3.14Å; V75-E78 PolarHBondContact N-OE2 3.26Å; V75-Q471 HydrophobicContact CG2-CG 3.98Å; V75-H505 HydrophobicContact CB-CB 4.14Å; V75-H505 HydrophobicContact CG1-CB 4.27Å; V75-H505 HydrophobicContact CG2-CB 3.67Å; V75-K506 HydrophobicContact CG2-CG 4.35Å
76N96.9Very high97.7Very high82 Ų8225.7 Ų25.744%0.43915%0.146SC..SBendtrans-117-123.8180-63.2-55.3000108.7N32 E78 H505N32-N76 CarbonylContact C-O 3.53Å; N32-N76 WeakPolarHBondContact CA-O 3.24Å; N32-N76 PolarHBondContact N-O 2.83Å; N76-E78 WeakPolarHBondContact CA-OE2 3.46Å; N76-E78 PolarHBondContact N-OE2 3.44Å; N76-H505 PolarHBondContact ND2-CD2 2.84Å; N76-H505 PolarHBondContact ND2-NE2 2.92Å
77N96.7Very high97.7Very high103 Ų10328.7 Ų28.755%0.55116%0.161SC*.SBendtrans-10928.9-178.666.6-29.2000112.6L79N77-L79 PolarHBondContact O-N 2.77Å
78E98.4Very high97.9Very high2 Ų233.9 Ų33.91%0.00918%0.177CC..PPolyproline II helixtrans-57.1139.1178.4-54.192145.900111.1A33 P58 C60 P74 V75 N76 I80 P504 H505A33-E78 WeakPolarHBondContact CB-O 3.22Å; P58-E78 HydrophobicContact CB-CB 4.19Å; P58-E78 HydrophobicContact CB-CG 3.7Å; P58-E78 HydrophobicContact CG-CB 4.33Å; P58-E78 HydrophobicContact CG-CG 3.95Å; P58-E78 CarbonylContact O-C 3.5Å; P58-E78 WeakPolarHBondContact O-CA 3.34Å; C60-E78 HydrophobicContact CB-CB 4.19Å; P74-E78 WeakPolarHBondContact CA-OE2 3.38Å; P74-E78 HydrophobicContact CB-CB 4.12Å; P74-E78 WeakPolarHBondContact CB-OE2 3.48Å; V75-E78 PolarHBondContact N-OE1 2.87Å; V75-E78 VanDerWaalsContact N-OE1 3.14Å; V75-E78 PolarHBondContact N-OE2 3.26Å; N76-E78 WeakPolarHBondContact CA-OE2 3.46Å; N76-E78 PolarHBondContact N-OE2 3.44Å; E78-I80 PolarHBondContact O-N 3.36Å; E78-P504 HydrophobicContact CG-CG 3.7Å; E78-H505 IonicContact OE1-CD2 2.63Å
79L98.5Very high98Very high17 Ų1733 Ų339%0.08917%0.172CC..EExtended strand (participates in β ladder)trans-64.4122.6174.717066.3000109L2 I35 V37 P58 L59 C60 N77 L81L2-L79 HydrophobicContact CD1-CD1 4.09Å; L2-L79 HydrophobicContact CD1-CD2 3.84Å; L2-L79 HydrophobicContact CD2-CD2 4.06Å; I35-L79 HydrophobicContact CB-CD1 3.75Å; I35-L79 HydrophobicContact CG2-CD1 3.72Å; I35-L79 WeakPolarHBondContact O-CD1 3.13Å; V37-L79 HydrophobicContact CB-CD1 4.32Å; V37-L79 HydrophobicContact CG1-CD1 4.21Å; V37-L79 HydrophobicContact CG1-CD2 4.11Å; V37-L79 HydrophobicContact CG1-CG 4.12Å; P58-L79 PolarHBondContact O-N 3.47Å; L59-L79 CarbonylContact C-O 3.52Å; L59-L79 VanDerWaalsContact CA-O 3.27Å; L59-L79 WeakPolarHBondContact CA-O 3.15Å; L59-L79 HydrophobicContact CD2-CB 3.91Å; L59-L79 HydrophobicContact CD2-CD2 3.72Å; L59-L79 HydrophobicContact CD2-CG 3.78Å; L59-L79 WeakPolarHBondContact CD2-O 3.34Å; C60-L79 PolarHBondContact N-O 2.75Å; N77-L79 PolarHBondContact O-N 2.77Å; L79-L81 PolarHBondContact O-N 3.01Å
80I98.8Very high98.1Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-79.6124.7176.8-60.8173.2000108.7A21 A33 I35 V36 V37 C60 Q62 P74 E78A21-I80 HydrophobicContact CB-CD1 3.85Å; A21-I80 WeakPolarHBondContact O-CD1 3.46Å; A33-I80 HydrophobicContact CB-CD1 3.73Å; A33-I80 HydrophobicContact CB-CG1 3.69Å; I35-I80 PolarHBondContact O-N 2.87Å; V36-I80 CarbonylContact C-O 3.49Å; V36-I80 WeakPolarHBondContact CA-O 3.17Å; V36-I80 HydrophobicContact CB-CB 4.22Å; V36-I80 HydrophobicContact CB-CG2 4.46Å; V36-I80 HydrophobicContact CG1-CB 4.1Å; V36-I80 HydrophobicContact CG1-CG2 3.85Å; V36-I80 HydrophobicContact CG2-CB 3.84Å; V36-I80 HydrophobicContact CG2-CD1 3.98Å; V36-I80 HydrophobicContact CG2-CG1 4.43Å; V36-I80 HydrophobicContact CG2-CG2 4.13Å; V37-I80 WeakPolarHBondContact CG1-O 3.49Å; V37-I80 PolarHBondContact N-O 3.05Å; C60-I80 HydrophobicContact CB-CG1 4.32Å; C60-I80 CarbonylContact O-C 3.59Å; C60-I80 VanDerWaalsContact O-CA 3.32Å; C60-I80 WeakPolarHBondContact O-CA 3.36Å; Q62-I80 HydrophobicContact CB-CG2 3.78Å; P74-I80 HydrophobicContact CG-CD1 3.86Å; P74-I80 HydrophobicContact CG-CG1 3.92Å; E78-I80 PolarHBondContact O-N 3.36Å
81L98.8Very high98.2Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-105.1111.5169.5-174.4154000109.3V37 P39 I45 V48 L59 C60 Q62 L79 T83 I199V37-L81 HydrophobicContact CG1-CB 3.88Å; V37-L81 HydrophobicContact CG1-CD1 4.28Å; V37-L81 HydrophobicContact CG1-CG 3.98Å; V37-L81 WeakPolarHBondContact O-CA 3.08Å; P39-L81 HydrophobicContact CG-CD2 4.28Å; P39-L81 HydrophobicContact CG-CG 4.26Å; I45-L81 HydrophobicContact CD1-CD2 4.49Å; I45-L81 HydrophobicContact CG1-CD2 4.43Å; I45-L81 HydrophobicContact CG2-CD1 4.33Å; V48-L81 HydrophobicContact CB-CD1 4.4Å; V48-L81 HydrophobicContact CG1-CD1 3.89Å; L59-L81 HydrophobicContact CD2-CB 4.19Å; C60-L81 PolarHBondContact O-N 3.25Å; Q62-L81 PolarHBondContact N-O 3.37Å; L79-L81 PolarHBondContact O-N 3.01Å; L81-T83 HydrophobicContact CD2-CG2 4.29Å; L81-I199 HydrophobicContact CD1-CD1 3.7Å; L81-I199 HydrophobicContact CD2-CD1 4.05Å; L81-I199 HydrophobicContact CD2-CG2 4.26Å; L81-I199 HydrophobicContact CG-CD1 4.44Å
82S98.6Very high98.2Very high10 Ų1040.8 Ų40.87%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-94.6129.5179.1-174.90000111.7V37 P39 Q62 C84V37-S82 PolarHBondContact O-N 2.98Å; P39-S82 WeakPolarHBondContact CD-O 3.36Å; Q62-S82 VanDerWaalsContact O-CA 3.29Å; Q62-S82 WeakPolarHBondContact O-CA 3.3Å; S82-C84 VanDerWaalsContact C-N 3.26Å; S82-C84 PolarHBondContact O-N 3.43Å; S82-C84 WeakPolarHBondContact OG-CB 3.45Å; S82-C84 PolarHBondContact OG-N 3.25Å; S82-C84 PolarHBondContact OG-SG 3.14Å; S82-C84 VanDerWaalsContact OG-SG 3.37Å
83T98.6Very high98.3Very high7 Ų743.4 Ų43.44%0.04322%0.223CC..  trans-85.46.9175.959.60000113.3Q62 L81 K85 L86 G104 I199Q62-T83 PolarHBondContact O-N 3.07Å; L81-T83 HydrophobicContact CD2-CG2 4.29Å; T83-K85 PolarHBondContact O-N 3.49Å; T83-K85 VanDerWaalsContact O-N 3.08Å; T83-L86 WeakPolarHBondContact O-CB 3.46Å; T83-L86 PolarHBondContact O-N 2.94Å; T83-G104 WeakPolarHBondContact O-CA 3.07Å; T83-I199 HydrophobicContact CG2-CG2 4.22Å
84C98Very high98.2Very high48 Ų4849.1 Ų49.132%0.32425%0.25SC..THydrogen-bonded Turntrans-63.8-20.9-166.670.20000115.5V38 S82 M132V38-C84 WeakPolarHBondContact CG1-SG 3.36Å; S82-C84 VanDerWaalsContact C-N 3.26Å; S82-C84 PolarHBondContact O-N 3.43Å; S82-C84 WeakPolarHBondContact OG-CB 3.45Å; S82-C84 PolarHBondContact OG-N 3.25Å; S82-C84 PolarHBondContact OG-SG 3.14Å; S82-C84 VanDerWaalsContact OG-SG 3.37Å; C84-M132 HydrophobicContact CB-CE 3.5Å; C84-M132 HydrophobicContact CB-SD 4.26Å
85K98.2Very high98.1Very high77 Ų7754.5 Ų54.534%0.33529%0.287SS..THydrogen-bonded Turntrans-89.2-9.7174.5-77.5-173.7-172.1171.30114.3N9 V38 P39 T83 N87N9-K85 PolarHBondContact O-NZ 3.43Å; V38-K85 HydrophobicContact CG1-CB 4.22Å; V38-K85 HydrophobicContact CG1-CD 3.82Å; V38-K85 HydrophobicContact CG1-CG 3.7Å; P39-K85 WeakPolarHBondContact O-CB 3.47Å; T83-K85 PolarHBondContact O-N 3.49Å; T83-K85 VanDerWaalsContact O-N 3.08Å; K85-N87 PolarHBondContact O-N 3.5Å; K85-N87 VanDerWaalsContact O-N 3.1Å; K85-N87 PolarHBondContact O-OD1 3.43Å
86L98.6Very high98Very high0 Ų053.7 Ų53.70%028%0.284CS..  trans-84.366.3171.8-78.986.5000108.1P39 I45 T83 E102 G104 T201P39-L86 HydrophobicContact CG-CD1 4.48Å; P39-L86 WeakPolarHBondContact O-CD1 3.16Å; I45-L86 HydrophobicContact CD1-CD1 3.76Å; I45-L86 HydrophobicContact CD1-CD2 3.54Å; I45-L86 HydrophobicContact CD1-CG 4.33Å; T83-L86 WeakPolarHBondContact O-CB 3.46Å; T83-L86 PolarHBondContact O-N 2.94Å; L86-E102 VanDerWaalsContact C-OE2 3.24Å; L86-E102 WeakPolarHBondContact CA-OE2 3.46Å; L86-E102 HydrophobicContact CB-CB 4.01Å; L86-E102 CarbonylContact O-C 3.52Å; L86-E102 WeakPolarHBondContact O-CB 3.24Å; L86-G104 CarbonylContact O-C 3.55Å; L86-G104 WeakPolarHBondContact O-CA 3.37Å; L86-G104 PolarHBondContact O-N 3.38Å; L86-T201 HydrophobicContact CD2-CG2 4.11Å
87N98.6Very high98.1Very high97 Ų9749.8 Ų49.852%0.51926%0.263SS..  trans-121.119.7-165.567.4-2.8000114.4K85 E102 C105K85-N87 PolarHBondContact O-N 3.5Å; K85-N87 VanDerWaalsContact O-N 3.1Å; K85-N87 PolarHBondContact O-OD1 3.43Å; N87-E102 PolarHBondContact N-OE2 3.5Å; N87-E102 VanDerWaalsContact N-OE2 3.13Å; N87-C105 PolarHBondContact O-SG 2.89Å
88R98.7Very high98.2Very high128 Ų12845.3 Ų45.348%0.48324%0.238SC..  trans-85.4136.2178.1-60.5178.7-67.9175.5-1.3112L90 E102 C105R88-L90 HydrophobicContact CB-CD2 4.18Å; R88-E102 HydrophobicContact CB-CG 4.25Å; R88-E102 VanDerWaalsContact CB-OE2 3.28Å; R88-E102 WeakPolarHBondContact CB-OE2 3.46Å; R88-E102 WeakPolarHBondContact CG-OE2 3.45Å; R88-E102 IonicContact CZ-OE1 3.89Å; R88-E102 PolarHBondContact N-OE2 3.36Å; R88-E102 IonicContact NE-OE1 2.99Å; R88-E102 PolarHBondContact NE-OE1 3.11Å; R88-E102 VanDerWaalsContact NE-OE1 3.16Å; R88-E102 IonicContact NE-OE2 2.84Å; R88-E102 PolarHBondContact NE-OE2 2.94Å; R88-E102 IonicContact NH2-OE1 3.99Å; R88-E102 PolarHBondContact NH2-OE1 3.27Å; R88-E102 PolarHBondContact O-N 3.46Å; R88-C105 PolarHBondContact O-SG 3.19Å
89I98.7Very high98.2Very high47 Ų4745.2 Ų45.224%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-78.2125.1159.3-59.8176.3000106.5L99 L110 Y113I89-L99 HydrophobicContact CG2-CD1 3.79Å; I89-L110 HydrophobicContact CD1-CD2 3.91Å; I89-L110 HydrophobicContact CG1-CD2 3.74Å; I89-Y113 HydrophobicContact CD1-CD1 3.65Å; I89-Y113 HydrophobicContact CD1-CD2 3.63Å; I89-Y113 HydrophobicContact CD1-CE1 4.21Å; I89-Y113 HydrophobicContact CD1-CE2 4.18Å; I89-Y113 HydrophobicContact CD1-CG 3.32Å; I89-Y113 HydrophobicContact CG2-CD1 4.16Å; I89-Y113 HydrophobicContact CG2-CE1 3.74Å
90L98.3Very high98.2Very high68 Ų6846.3 Ų46.336%0.35624%0.243SC..EExtended strand (participates in β ladder)trans-95.1-45.5-171.3-59.2177.1000111.3R88 E100 E102 R202R88-L90 HydrophobicContact CB-CD2 4.18Å; L90-E100 HydrophobicContact CB-CB 4.2Å; L90-E100 WeakPolarHBondContact CB-O 3.47Å; L90-E100 PolarHBondContact N-O 3.24Å; L90-E102 HydrophobicContact CD1-CG 4.3Å; L90-E102 HydrophobicContact CD2-CG 4.1Å; L90-E102 HydrophobicContact CG-CG 4.31Å; L90-R202 HydrophobicContact CD1-CB 4.46Å; L90-R202 HydrophobicContact CD1-CG 4.07Å
91D98.1Very high98.2Very high93 Ų9346.3 Ų46.350%0.49724%0.243SC..EExtended strand (participates in β ladder)trans-156.7154.3178.5-168.429.3000111E100D91-E100 HydrophobicContact CB-CB 4.27Å; D91-E100 PolarHBondContact N-O 3.18Å; D91-E100 PolarHBondContact O-N 3.12Å
92F98.5Very high98.2Very high19 Ų1946.3 Ų46.38%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-146.2112169.1-178.7-110.2000110.2E94 I98 L99 Y113 V114 Y119 T207F92-E94 HydrophobicContact CD1-CG 3.99Å; F92-E94 HydrophobicContact CE1-CB 4.44Å; F92-E94 HydrophobicContact CE1-CG 3.93Å; F92-E94 PolarHBondContact O-N 2.85Å; F92-I98 WeakPolarHBondContact CA-O 3.43Å; F92-I98 WeakPolarHBondContact CD2-O 3.09Å; F92-L99 HydrophobicContact CB-CD1 4.35Å; F92-L99 HydrophobicContact CD2-CB 3.91Å; F92-L99 HydrophobicContact CD2-CD1 4.19Å; F92-L99 HydrophobicContact CE2-CB 4.4Å; F92-Y113 HydrophobicContact CB-CE1 3.83Å; F92-Y113 HydrophobicContact CG-CE1 4.3Å; F92-V114 HydrophobicContact CD2-CG1 3.92Å; F92-V114 HydrophobicContact CE2-CB 4.21Å; F92-V114 HydrophobicContact CE2-CG1 3.8Å; F92-V114 HydrophobicContact CG-CG1 4.42Å; F92-V114 HydrophobicContact CZ-CB 4.15Å; F92-V114 HydrophobicContact CZ-CG1 4.2Å; F92-Y119 HydrophobicContact CE1-CD2 4.11Å; F92-Y119 AromaticContact CZ-CD2 3.61Å; F92-Y119 HydrophobicContact CZ-CD2 3.61Å; F92-Y119 HydrophobicContact CZ-CE2 4.15Å; F92-Y119 AromaticContact CZ-CG 3.85Å; F92-Y119 HydrophobicContact CZ-CG 3.85Å; F92-T207 HydrophobicContact CE2-CG2 4.11Å
93D97.9Very high98.2Very high67 Ų6745.9 Ų45.936%0.35824%0.24SC..EExtended strand (participates in β ladder)trans-88.1103.7175.5173.88.8000109.9S95 S96 G97 I98D93-S95 PolarHBondContact O-N 3.49Å; D93-S95 WeakPolarHBondContact OD1-CA 3.5Å; D93-S95 VanDerWaalsContact OD1-CB 3.23Å; D93-S95 WeakPolarHBondContact OD1-CB 3.33Å; D93-S95 PolarHBondContact OD1-N 3.06Å; D93-S96 WeakPolarHBondContact CB-OG 3.02Å; D93-S96 PolarHBondContact O-N 3.06Å; D93-S96 PolarHBondContact OD1-N 3.2Å; D93-S96 VanDerWaalsContact OD2-CB 3.25Å; D93-S96 WeakPolarHBondContact OD2-CB 3.47Å; D93-S96 PolarHBondContact OD2-OG 3.21Å; D93-G97 WeakPolarHBondContact O-CA 3.42Å; D93-G97 PolarHBondContact O-N 2.91Å; D93-I98 PolarHBondContact N-O 2.99Å; D93-I98 PolarHBondContact O-N 3.48Å
94E97.1Very high98.2Very high121 Ų12145.6 Ų45.657%0.56524%0.239SC*.THydrogen-bonded Turntrans-60.3-25.7179.1-56.2-169.4156.500113.3F92 S117 Y119F92-E94 HydrophobicContact CD1-CG 3.99Å; F92-E94 HydrophobicContact CE1-CB 4.44Å; F92-E94 HydrophobicContact CE1-CG 3.93Å; F92-E94 PolarHBondContact O-N 2.85Å; E94-S117 WeakPolarHBondContact OE1-CB 3.34Å; E94-S117 PolarHBondContact OE1-OG 2.57Å; E94-Y119 WeakPolarHBondContact O-CE2 3.11Å; E94-Y119 PolarHBondContact O-OH 2.65Å
95S96.2Very high98.3Very high113 Ų11343.6 Ų43.679%0.7923%0.225SC*.THydrogen-bonded Turntrans-75.1-37.4-179.8-54.50000111.5D93D93-S95 PolarHBondContact O-N 3.49Å; D93-S95 WeakPolarHBondContact OD1-CA 3.5Å; D93-S95 VanDerWaalsContact OD1-CB 3.23Å; D93-S95 WeakPolarHBondContact OD1-CB 3.33Å; D93-S95 PolarHBondContact OD1-N 3.06Å
96S96.8Very high98.3Very high29 Ų2942.6 Ų42.620%0.20322%0.223CC..THydrogen-bonded Turntrans-101.1-15.1-178.467.40000114.1D93 I98 R178D93-S96 WeakPolarHBondContact CB-OG 3.02Å; D93-S96 PolarHBondContact O-N 3.06Å; D93-S96 PolarHBondContact OD1-N 3.2Å; D93-S96 VanDerWaalsContact OD2-CB 3.25Å; D93-S96 WeakPolarHBondContact OD2-CB 3.47Å; D93-S96 PolarHBondContact OD2-OG 3.21Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 WeakPolarHBondContact OG-CD1 3.34Å; S96-I98 WeakPolarHBondContact OG-CG1 3.46Å; S96-R178 PolarHBondContact O-NH2 2.95Å
97G97.9Very high98.3Very high0 Ų042.7 Ų42.70%022%0.223CC..THydrogen-bonded Turntrans66.430.4-172.800000112.5D93 T207D93-G97 WeakPolarHBondContact O-CA 3.42Å; D93-G97 PolarHBondContact O-N 2.91Å; G97-T207 PolarHBondContact O-N 3.42Å; G97-T207 PolarHBondContact O-OG1 3.29Å
98I98.5Very high98.2Very high8 Ų842.2 Ų42.24%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-98.1123.9-179.5-64.1174000108.8F92 D93 S96 L157 S176 R178F92-I98 WeakPolarHBondContact CA-O 3.43Å; F92-I98 WeakPolarHBondContact CD2-O 3.09Å; D93-I98 PolarHBondContact N-O 2.99Å; D93-I98 PolarHBondContact O-N 3.48Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 WeakPolarHBondContact OG-CD1 3.34Å; S96-I98 WeakPolarHBondContact OG-CG1 3.46Å; I98-L157 HydrophobicContact CB-CD1 4.41Å; I98-L157 HydrophobicContact CD1-CD1 3.54Å; I98-L157 HydrophobicContact CG1-CD1 3.75Å; I98-L157 HydrophobicContact CG2-CD1 3.81Å; I98-S176 WeakPolarHBondContact CD1-O 3.34Å; I98-R178 HydrophobicContact CD1-CG 4.42Å
99L98.7Very high98.2Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-105.1126.6176.4173.668.1000109.6I89 F92 L110 V114 M121 S204 I205 T207I89-L99 HydrophobicContact CG2-CD1 3.79Å; F92-L99 HydrophobicContact CB-CD1 4.35Å; F92-L99 HydrophobicContact CD2-CB 3.91Å; F92-L99 HydrophobicContact CD2-CD1 4.19Å; F92-L99 HydrophobicContact CE2-CB 4.4Å; L99-L110 HydrophobicContact CD2-CB 4.26Å; L99-L110 HydrophobicContact CD2-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD2 4.07Å; L99-L110 HydrophobicContact CD2-CG 4.42Å; L99-V114 HydrophobicContact CD1-CG1 4.18Å; L99-V114 HydrophobicContact CD2-CG1 4.15Å; L99-M121 HydrophobicContact CD2-CE 4.42Å; L99-M121 HydrophobicContact CD2-SD 3.78Å; L99-S204 CarbonylContact O-C 3.5Å; L99-S204 VanDerWaalsContact O-CA 3.3Å; L99-S204 WeakPolarHBondContact O-CA 3.36Å; L99-I205 HydrophobicContact CB-CG2 4.06Å; L99-I205 HydrophobicContact CD2-CG2 4.2Å; L99-I205 HydrophobicContact CG-CG2 4.43Å; L99-I205 PolarHBondContact N-O 3.14Å; L99-I205 PolarHBondContact O-N 2.71Å; L99-T207 HydrophobicContact CB-CG2 3.96Å; L99-T207 HydrophobicContact CD2-CG2 4.49Å
100E98.7Very high98.2Very high41 Ų4137.6 Ų37.619%0.19221%0.206CC..EExtended strand (participates in β ladder)trans-108.1127.1166.4-59.4-160.4172.200110.3L90 D91 L203L90-E100 HydrophobicContact CB-CB 4.2Å; L90-E100 WeakPolarHBondContact CB-O 3.47Å; L90-E100 PolarHBondContact N-O 3.24Å; D91-E100 HydrophobicContact CB-CB 4.27Å; D91-E100 PolarHBondContact N-O 3.18Å; D91-E100 PolarHBondContact O-N 3.12Å; E100-L203 WeakPolarHBondContact CA-O 3.42Å
101C98.8Very high98.2Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-150.4163-177.963.50000112.9L110 R202 L203C101-L110 HydrophobicContact CB-CD2 4.09Å; C101-R202 CarbonylContact O-C 3.53Å; C101-R202 WeakPolarHBondContact O-CA 3.41Å; C101-L203 PolarHBondContact N-O 2.88Å; C101-L203 PolarHBondContact O-N 2.97Å
102E98.9Very high98.2Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-78.7150.5172.4-65.9-174.9145.700111.8L86 N87 R88 L90 G104 C105 I133 T201 R202L86-E102 VanDerWaalsContact C-OE2 3.24Å; L86-E102 WeakPolarHBondContact CA-OE2 3.46Å; L86-E102 HydrophobicContact CB-CB 4.01Å; L86-E102 CarbonylContact O-C 3.52Å; L86-E102 WeakPolarHBondContact O-CB 3.24Å; N87-E102 PolarHBondContact N-OE2 3.5Å; N87-E102 VanDerWaalsContact N-OE2 3.13Å; R88-E102 HydrophobicContact CB-CG 4.25Å; R88-E102 VanDerWaalsContact CB-OE2 3.28Å; R88-E102 WeakPolarHBondContact CB-OE2 3.46Å; R88-E102 WeakPolarHBondContact CG-OE2 3.45Å; R88-E102 IonicContact CZ-OE1 3.89Å; R88-E102 PolarHBondContact N-OE2 3.36Å; R88-E102 IonicContact NE-OE1 2.99Å; R88-E102 PolarHBondContact NE-OE1 3.11Å; R88-E102 VanDerWaalsContact NE-OE1 3.16Å; R88-E102 IonicContact NE-OE2 2.84Å; R88-E102 PolarHBondContact NE-OE2 2.94Å; R88-E102 IonicContact NH2-OE1 3.99Å; R88-E102 PolarHBondContact NH2-OE1 3.27Å; R88-E102 PolarHBondContact O-N 3.46Å; L90-E102 HydrophobicContact CD1-CG 4.3Å; L90-E102 HydrophobicContact CD2-CG 4.1Å; L90-E102 HydrophobicContact CG-CG 4.31Å; E102-G104 PolarHBondContact O-N 3.18Å; E102-G104 VanDerWaalsContact O-N 3.11Å; E102-C105 WeakPolarHBondContact O-CB 3.37Å; E102-C105 PolarHBondContact O-N 3.45Å; E102-C105 VanDerWaalsContact O-N 3.1Å; E102-C105 PolarHBondContact O-SG 2.88Å; E102-C105 VanDerWaalsContact O-SG 3.36Å; E102-I133 WeakPolarHBondContact O-CG2 3.39Å; E102-T201 WeakPolarHBondContact CA-O 3.49Å; E102-R202 HydrophobicContact CG-CG 4.23Å
103A98.7Very high98.2Very high0 Ų038.6 Ų38.60%021%0.209CC..THydrogen-bonded Turntrans-63.3-21.2-169.400000115.3G134 I200 T201A103-G134 WeakPolarHBondContact O-CA 3.33Å; A103-G134 PolarHBondContact O-N 2.9Å; A103-I200 HydrophobicContact CB-CG2 4.27Å; A103-I200 WeakPolarHBondContact CB-O 3.36Å; A103-T201 PolarHBondContact N-O 3.48Å
104G98.8Very high98.2Very high2 Ų235.4 Ų35.42%0.02119%0.192CC..THydrogen-bonded Turntrans-87.60.5178.100000114.8T83 L86 E102 I106 M132T83-G104 WeakPolarHBondContact O-CA 3.07Å; L86-G104 CarbonylContact O-C 3.55Å; L86-G104 WeakPolarHBondContact O-CA 3.37Å; L86-G104 PolarHBondContact O-N 3.38Å; E102-G104 PolarHBondContact O-N 3.18Å; E102-G104 VanDerWaalsContact O-N 3.11Å; G104-I106 PolarHBondContact O-N 3.04Å; G104-M132 WeakPolarHBondContact O-CG 3.36Å
105C98.8Very high98.2Very high5 Ų531.6 Ų31.63%0.03418%0.179CC..  trans-62.4129.9173.6-690000111N87 R88 E102 L110 M132 I133N87-C105 PolarHBondContact O-SG 2.89Å; R88-C105 PolarHBondContact O-SG 3.19Å; E102-C105 WeakPolarHBondContact O-CB 3.37Å; E102-C105 PolarHBondContact O-N 3.45Å; E102-C105 VanDerWaalsContact O-N 3.1Å; E102-C105 PolarHBondContact O-SG 2.88Å; E102-C105 VanDerWaalsContact O-SG 3.36Å; C105-L110 HydrophobicContact CB-CD1 3.9Å; C105-L110 HydrophobicContact CB-CD2 3.52Å; C105-L110 HydrophobicContact CB-CG 3.75Å; C105-M132 CarbonylContact O-C 3.52Å; C105-M132 VanDerWaalsContact O-CA 3.31Å; C105-M132 WeakPolarHBondContact O-CA 3.47Å; C105-I133 HydrophobicContact CB-CG2 4.1Å; C105-I133 PolarHBondContact O-N 3.16Å
106I98.7Very high98.3Very high57 Ų5733.4 Ų33.429%0.29218%0.175SC..BIsolated β-bridgetrans-71.2135.7176.1-64.4171.4000109.3G104 E108 T109 L110 R128 C131G104-I106 PolarHBondContact O-N 3.04Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 HydrophobicContact CG2-CB 4.39Å; I106-E108 PolarHBondContact O-N 3.12Å; I106-T109 WeakPolarHBondContact O-CB 3.35Å; I106-T109 PolarHBondContact O-N 2.86Å; I106-T109 VanDerWaalsContact O-N 3.08Å; I106-L110 PolarHBondContact O-N 3Å; I106-R128 VanDerWaalsContact CG2-O 3.23Å; I106-R128 WeakPolarHBondContact CG2-O 3.14Å; I106-C131 WeakPolarHBondContact CA-O 3.25Å
107L98.4Very high98.3Very high1 Ų133.7 Ų33.71%0.00518%0.177CC..Hα-helixtrans-56.7-45.2-176179.763.8000112.6T109 L110 N111 M121 F123 L125 R128 C131 I133L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 2.92Å; L107-L110 PolarHBondContact O-N 3.25Å; L107-N111 WeakPolarHBondContact O-CB 3.47Å; L107-N111 PolarHBondContact O-N 2.7Å; L107-M121 HydrophobicContact CD1-CB 4.03Å; L107-M121 HydrophobicContact CD1-CE 4.05Å; L107-M121 HydrophobicContact CD1-CG 3.89Å; L107-F123 HydrophobicContact CD1-CD2 4.43Å; L107-F123 HydrophobicContact CD1-CE2 3.7Å; L107-F123 HydrophobicContact CD1-CZ 3.85Å; L107-F123 HydrophobicContact CD2-CD2 4.06Å; L107-F123 HydrophobicContact CD2-CE2 3.68Å; L107-F123 HydrophobicContact CG-CE2 4.35Å; L107-L125 HydrophobicContact CD2-CD1 4.4Å; L107-L125 HydrophobicContact CD2-CD2 4.17Å; L107-L125 HydrophobicContact CD2-CG 3.91Å; L107-R128 HydrophobicContact CB-CB 4.39Å; L107-R128 HydrophobicContact CD2-CB 3.98Å; L107-R128 HydrophobicContact CG-CB 4.29Å; L107-C131 VanDerWaalsContact CB-SG 3.56Å; L107-C131 PolarHBondContact N-O 2.9Å; L107-I133 HydrophobicContact CD1-CD1 4.47Å
108E98Very high98.3Very high87 Ų8735.6 Ų35.641%0.40720%0.197SC..Hα-helixtrans-63.1-36.4178-174.7168.6-108.900112.5I106 N111 T112 R128I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 HydrophobicContact CG2-CB 4.39Å; I106-E108 PolarHBondContact O-N 3.12Å; E108-N111 PolarHBondContact O-N 3.43Å; E108-T112 WeakPolarHBondContact O-CB 2.8Å; E108-T112 PolarHBondContact O-N 3.39Å; E108-T112 PolarHBondContact O-OG1 3.49Å; E108-R128 HydrophobicContact CB-CB 4.28Å; E108-R128 HydrophobicContact CB-CG 4.28Å; E108-R128 WeakPolarHBondContact CB-O 3.27Å; E108-R128 PolarHBondContact N-O 3.17Å; E108-R128 IonicContact OE1-NE 3.58Å; E108-R128 PolarHBondContact OE1-NE 3.38Å
109T98.4Very high98.3Very high79 Ų7937 Ų3749%0.48520%0.202SC..Hα-helixtrans-64.7-44.7174.2-550000111.2I106 L107 T112 Y113I106-T109 WeakPolarHBondContact O-CB 3.35Å; I106-T109 PolarHBondContact O-N 2.86Å; I106-T109 VanDerWaalsContact O-N 3.08Å; L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 2.92Å; T109-T112 PolarHBondContact O-N 2.84Å; T109-Y113 WeakPolarHBondContact O-CB 3.4Å; T109-Y113 PolarHBondContact O-N 3.25Å
110L98.6Very high98.2Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-61.4-46.9175.7-65-178.2000111.3I89 L99 C101 C105 I106 L107 T112 Y113 V114 M121 I133I89-L110 HydrophobicContact CD1-CD2 3.91Å; I89-L110 HydrophobicContact CG1-CD2 3.74Å; L99-L110 HydrophobicContact CD2-CB 4.26Å; L99-L110 HydrophobicContact CD2-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD2 4.07Å; L99-L110 HydrophobicContact CD2-CG 4.42Å; C101-L110 HydrophobicContact CB-CD2 4.09Å; C105-L110 HydrophobicContact CB-CD1 3.9Å; C105-L110 HydrophobicContact CB-CD2 3.52Å; C105-L110 HydrophobicContact CB-CG 3.75Å; I106-L110 PolarHBondContact O-N 3Å; L107-L110 PolarHBondContact O-N 3.25Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.29Å; L110-Y113 WeakPolarHBondContact O-CB 3.22Å; L110-Y113 PolarHBondContact O-N 2.85Å; L110-V114 WeakPolarHBondContact O-CG2 3.14Å; L110-V114 PolarHBondContact O-N 3.32Å; L110-M121 HydrophobicContact CB-CG 4.19Å; L110-M121 HydrophobicContact CB-SD 3.95Å; L110-M121 HydrophobicContact CD1-CE 4.17Å; L110-I133 HydrophobicContact CD1-CB 3.74Å; L110-I133 HydrophobicContact CD1-CD1 4.2Å; L110-I133 HydrophobicContact CD1-CG1 3.89Å; L110-I133 HydrophobicContact CD1-CG2 4.04Å
111N97.7Very high98.1Very high30 Ų3035.8 Ų35.816%0.1620%0.196CC..Hα-helixtrans-62.2-40.8179.8-162.638.4000112L107 E108 S115 M120 M121L107-N111 WeakPolarHBondContact O-CB 3.47Å; L107-N111 PolarHBondContact O-N 2.7Å; E108-N111 PolarHBondContact O-N 3.43Å; N111-S115 VanDerWaalsContact O-CB 3.3Å; N111-S115 WeakPolarHBondContact O-CB 2.99Å; N111-S115 PolarHBondContact O-N 3.49Å; N111-S115 VanDerWaalsContact O-N 3.11Å; N111-M120 WeakPolarHBondContact OD1-CA 3.42Å; N111-M120 WeakPolarHBondContact OD1-CB 3.04Å; N111-M121 HydrophobicContact CB-CB 4.44Å; N111-M121 HydrophobicContact CB-CG 3.92Å; N111-M121 PolarHBondContact OD1-N 2.99Å
112T98.1Very high98Very high77 Ų7735.9 Ų35.947%0.47220%0.197SC..Hα-helixtrans-63.4-43.8175.1-59.60000111.3E108 T109 L110 S115E108-T112 WeakPolarHBondContact O-CB 2.8Å; E108-T112 PolarHBondContact O-N 3.39Å; E108-T112 PolarHBondContact O-OG1 3.49Å; T109-T112 PolarHBondContact O-N 2.84Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.29Å; T112-S115 PolarHBondContact O-N 3.04Å; T112-S115 PolarHBondContact O-OG 3.27Å
113Y98.6Very high97.7Very high94 Ų9436.3 Ų36.337%0.36920%0.199SC..Hα-helixtrans-60.7-54.8179.8179.8-94.2000111.8I89 F92 T109 L110 S115 Q116I89-Y113 HydrophobicContact CD1-CD1 3.65Å; I89-Y113 HydrophobicContact CD1-CD2 3.63Å; I89-Y113 HydrophobicContact CD1-CE1 4.21Å; I89-Y113 HydrophobicContact CD1-CE2 4.18Å; I89-Y113 HydrophobicContact CD1-CG 3.32Å; I89-Y113 HydrophobicContact CG2-CD1 4.16Å; I89-Y113 HydrophobicContact CG2-CE1 3.74Å; F92-Y113 HydrophobicContact CB-CE1 3.83Å; F92-Y113 HydrophobicContact CG-CE1 4.3Å; T109-Y113 WeakPolarHBondContact O-CB 3.4Å; T109-Y113 PolarHBondContact O-N 3.25Å; L110-Y113 WeakPolarHBondContact O-CB 3.22Å; L110-Y113 PolarHBondContact O-N 2.85Å; Y113-S115 PolarHBondContact O-N 3.14Å; Y113-Q116 WeakPolarHBondContact O-CB 3.3Å; Y113-Q116 WeakPolarHBondContact O-CG 3.17Å; Y113-Q116 PolarHBondContact O-N 3.39Å
114V98.5Very high97.3Very high0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-70.6-19.7-176.6-560000113.1F92 L99 L110 Q116 S117 Y119 T207F92-V114 HydrophobicContact CD2-CG1 3.92Å; F92-V114 HydrophobicContact CE2-CB 4.21Å; F92-V114 HydrophobicContact CE2-CG1 3.8Å; F92-V114 HydrophobicContact CG-CG1 4.42Å; F92-V114 HydrophobicContact CZ-CB 4.15Å; F92-V114 HydrophobicContact CZ-CG1 4.2Å; L99-V114 HydrophobicContact CD1-CG1 4.18Å; L99-V114 HydrophobicContact CD2-CG1 4.15Å; L110-V114 WeakPolarHBondContact O-CG2 3.14Å; L110-V114 PolarHBondContact O-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.45Å; V114-S117 PolarHBondContact O-N 3.02Å; V114-Y119 CarbonylContact C-O 3.59Å; V114-Y119 PolarHBondContact O-N 3.4Å; V114-Y119 VanDerWaalsContact O-N 3.08Å; V114-T207 HydrophobicContact CB-CG2 4.48Å; V114-T207 HydrophobicContact CG1-CG2 4.15Å; V114-T207 HydrophobicContact CG2-CG2 4.38Å
115S97.4Very high96.8Very high41 Ų4139.3 Ų39.329%0.28721%0.214SC..Hα-helixtrans-64.2-24.6174.776.60000114N111 T112 Y113 S117 G118 Y119N111-S115 VanDerWaalsContact O-CB 3.3Å; N111-S115 WeakPolarHBondContact O-CB 2.99Å; N111-S115 PolarHBondContact O-N 3.49Å; N111-S115 VanDerWaalsContact O-N 3.11Å; T112-S115 PolarHBondContact O-N 3.04Å; T112-S115 PolarHBondContact O-OG 3.27Å; Y113-S115 PolarHBondContact O-N 3.14Å; S115-S117 PolarHBondContact O-N 2.76Å; S115-G118 PolarHBondContact O-N 2.79Å; S115-G118 VanDerWaalsContact O-N 3.15Å; S115-Y119 WeakPolarHBondContact CA-O 3.45Å; S115-Y119 PolarHBondContact N-O 2.92Å
116Q97.1Very high96.3Very high150 Ų15044 Ų4470%0.70125%0.254SS*.THydrogen-bonded Turntrans-65.2-26.4177.3-60.9176.42.500112Y113 V114Y113-Q116 WeakPolarHBondContact O-CB 3.3Å; Y113-Q116 WeakPolarHBondContact O-CG 3.17Å; Y113-Q116 PolarHBondContact O-N 3.39Å; V114-Q116 PolarHBondContact O-N 3.45Å
117S97.5Very high96Very high35 Ų3542.7 Ų42.725%0.24525%0.251CS..THydrogen-bonded Turntrans-10415.1178.1-47.60000112.6E94 V114 S115 Y119E94-S117 WeakPolarHBondContact OE1-CB 3.34Å; E94-S117 PolarHBondContact OE1-OG 2.57Å; V114-S117 PolarHBondContact O-N 3.02Å; S115-S117 PolarHBondContact O-N 2.76Å; S117-Y119 VanDerWaalsContact O-CD2 3.25Å; S117-Y119 WeakPolarHBondContact O-CD2 3.41Å
118G97.1Very high95.9Very high41 Ų4146.9 Ų46.942%0.42327%0.267SS..THydrogen-bonded Turntrans80.218.3177.600000115.3S115 R210S115-G118 PolarHBondContact O-N 2.79Å; S115-G118 VanDerWaalsContact O-N 3.15Å; G118-R210 WeakPolarHBondContact O-CB 3.37Å; G118-R210 PolarHBondContact O-N 2.89Å
119Y98.2Very high95.8Very high36 Ų3644.4 Ų44.414%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-110.7172176.9-71.5-95000112.3F92 E94 V114 S115 S117 T207 V208 P209F92-Y119 HydrophobicContact CE1-CD2 4.11Å; F92-Y119 AromaticContact CZ-CD2 3.61Å; F92-Y119 HydrophobicContact CZ-CD2 3.61Å; F92-Y119 HydrophobicContact CZ-CE2 4.15Å; F92-Y119 AromaticContact CZ-CG 3.85Å; F92-Y119 HydrophobicContact CZ-CG 3.85Å; E94-Y119 WeakPolarHBondContact O-CE2 3.11Å; E94-Y119 PolarHBondContact O-OH 2.65Å; V114-Y119 CarbonylContact C-O 3.59Å; V114-Y119 PolarHBondContact O-N 3.4Å; V114-Y119 VanDerWaalsContact O-N 3.08Å; S115-Y119 WeakPolarHBondContact CA-O 3.45Å; S115-Y119 PolarHBondContact N-O 2.92Å; S117-Y119 VanDerWaalsContact O-CD2 3.25Å; S117-Y119 WeakPolarHBondContact O-CD2 3.41Å; Y119-T207 WeakPolarHBondContact CD1-OG1 3.14Å; Y119-V208 CarbonylContact C-O 3.59Å; Y119-V208 WeakPolarHBondContact CA-O 3.11Å; Y119-P209 HydrophobicContact CE1-CG 4.25Å
120M97.2Very high95.7Very high16 Ų1643.3 Ų43.38%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-145.6159.2169.264.4177.5-75.400110.4N111 F149 T207 V208 R210 P211N111-M120 WeakPolarHBondContact OD1-CA 3.42Å; N111-M120 WeakPolarHBondContact OD1-CB 3.04Å; M120-F149 HydrophobicContact CE-CE2 4.41Å; M120-T207 WeakPolarHBondContact O-CB 3.48Å; M120-V208 HydrophobicContact CG-CG2 3.53Å; M120-V208 PolarHBondContact N-O 2.89Å; M120-V208 PolarHBondContact O-N 3.24Å; M120-V208 HydrophobicContact SD-CG2 4.39Å; M120-R210 HydrophobicContact CB-CB 4.4Å; M120-R210 HydrophobicContact CB-CG 4.39Å; M120-R210 HydrophobicContact CG-CB 4.44Å; M120-R210 HydrophobicContact SD-CG 4.38Å; M120-P211 VanDerWaalsContact SD-CD 3.56Å
121M97.6Very high95.7Very high1 Ų143.4 Ų43.41%0.00526%0.261CS..  trans-61.9142.9170-65.7-60.3-67.600109.9L99 L107 L110 N111 F123 I133 I205 T207L99-M121 HydrophobicContact CD2-CE 4.42Å; L99-M121 HydrophobicContact CD2-SD 3.78Å; L107-M121 HydrophobicContact CD1-CB 4.03Å; L107-M121 HydrophobicContact CD1-CE 4.05Å; L107-M121 HydrophobicContact CD1-CG 3.89Å; L110-M121 HydrophobicContact CB-CG 4.19Å; L110-M121 HydrophobicContact CB-SD 3.95Å; L110-M121 HydrophobicContact CD1-CE 4.17Å; N111-M121 HydrophobicContact CB-CB 4.44Å; N111-M121 HydrophobicContact CB-CG 3.92Å; N111-M121 PolarHBondContact OD1-N 2.99Å; M121-F123 HydrophobicContact CE-CE1 4.44Å; M121-F123 PolarHBondContact O-N 2.89Å; M121-F123 VanDerWaalsContact O-N 3.14Å; M121-I133 HydrophobicContact CE-CD1 3.76Å; M121-I205 HydrophobicContact CE-CD1 4.2Å; M121-I205 HydrophobicContact CE-CG2 4.21Å; M121-T207 HydrophobicContact SD-CG2 4.2Å
122P95.3Very high95.7Very high1 Ų143 Ų431%0.00626%0.258CS..SBendtrans-73.6-3.7-173.127.5-32000114.1F149 H155 I205 C206 V208P122-F149 HydrophobicContact CB-CB 4.33Å; P122-F149 WeakPolarHBondContact O-CB 3.49Å; P122-F149 WeakPolarHBondContact O-CD2 3.36Å; P122-H155 VanDerWaalsContact CB-CE1 3.41Å; P122-H155 WeakPolarHBondContact CB-CE1 3.46Å; P122-H155 WeakPolarHBondContact CB-NE2 3.37Å; P122-H155 HydrophobicContact CG-CB 3.95Å; P122-I205 HydrophobicContact CG-CD1 4.22Å; P122-C206 WeakPolarHBondContact CG-O 3.48Å; P122-V208 HydrophobicContact CB-CG1 4.01Å; P122-V208 HydrophobicContact CB-CG2 4.49Å
123F94.1Very high95.8Very high10 Ų1039.3 Ų39.34%0.04424%0.236CC..  trans-142.3155.2176.461-87.1000109.3L107 M121 L125 I133 N136 L152 I205L107-F123 HydrophobicContact CD1-CD2 4.43Å; L107-F123 HydrophobicContact CD1-CE2 3.7Å; L107-F123 HydrophobicContact CD1-CZ 3.85Å; L107-F123 HydrophobicContact CD2-CD2 4.06Å; L107-F123 HydrophobicContact CD2-CE2 3.68Å; L107-F123 HydrophobicContact CG-CE2 4.35Å; M121-F123 HydrophobicContact CE-CE1 4.44Å; M121-F123 PolarHBondContact O-N 2.89Å; M121-F123 VanDerWaalsContact O-N 3.14Å; F123-L125 HydrophobicContact CD2-CD2 3.89Å; F123-L125 HydrophobicContact CE2-CD2 4.07Å; F123-I133 HydrophobicContact CE1-CD1 4.3Å; F123-I133 HydrophobicContact CZ-CD1 3.69Å; F123-N136 HydrophobicContact CE2-CB 3.92Å; F123-N136 HydrophobicContact CZ-CB 3.9Å; F123-L152 HydrophobicContact CD1-CD1 4.2Å; F123-L152 HydrophobicContact CD1-CG 4.46Å; F123-L152 HydrophobicContact CE1-CD1 3.62Å; F123-L152 HydrophobicContact CE1-CG 4.09Å; F123-L152 HydrophobicContact CE2-CD1 4.35Å; F123-L152 HydrophobicContact CZ-CD1 3.71Å; F123-I205 HydrophobicContact CE1-CD1 4.07Å
124D89.5Confident95.8Very high33 Ų3335.1 Ų35.118%0.17622%0.222CC..  trans-143.3147.1174.8-165.713.6000110.1R128 G143 L144D124-R128 VanDerWaalsContact OD1-CD 3.3Å; D124-R128 WeakPolarHBondContact OD1-CD 3.3Å; D124-R128 IonicContact OD1-NH1 2.66Å; D124-R128 IonicContact OD2-NH1 3.49Å; D124-G143 WeakPolarHBondContact O-CA 3.46Å; D124-L144 PolarHBondContact O-N 3.01Å
125L88.9Confident95.7Very high31 Ų3136.4 Ų36.416%0.16224%0.235CC..  trans-153.6156.5-172.353.594.9000111.5L107 F123 A127 R128 C131 A141L107-L125 HydrophobicContact CD2-CD1 4.4Å; L107-L125 HydrophobicContact CD2-CD2 4.17Å; L107-L125 HydrophobicContact CD2-CG 3.91Å; F123-L125 HydrophobicContact CD2-CD2 3.89Å; F123-L125 HydrophobicContact CE2-CD2 4.07Å; L125-A127 HydrophobicContact CD1-CB 3.69Å; L125-A127 PolarHBondContact O-N 2.9Å; L125-A127 VanDerWaalsContact O-N 3.09Å; L125-R128 VanDerWaalsContact O-CB 3.3Å; L125-R128 WeakPolarHBondContact O-CB 3.43Å; L125-R128 WeakPolarHBondContact O-CG 3.31Å; L125-R128 PolarHBondContact O-N 3.12Å; L125-C131 HydrophobicContact CD1-CB 4.3Å; L125-C131 VanDerWaalsContact CD1-SG 3.57Å; L125-A141 HydrophobicContact CD2-CB 3.87Å
126A87.3Confident95.8Very high105 Ų10534.8 Ų34.887%0.86822%0.223SC*.THydrogen-bonded Turntrans-57.5-31.1-173.400000113.5R128A126-R128 VanDerWaalsContact C-N 3.28Å; A126-R128 PolarHBondContact O-N 3.39Å
127A92.6Very high95.8Very high29 Ų2927.6 Ų27.624%0.2419%0.189CC..THydrogen-bonded Turntrans-82.48.8179.200000114.6T66 L125 G129 S130 C131T66-A127 HydrophobicContact CG2-CB 4.04Å; L125-A127 HydrophobicContact CD1-CB 3.69Å; L125-A127 PolarHBondContact O-N 2.9Å; L125-A127 VanDerWaalsContact O-N 3.09Å; A127-G129 PolarHBondContact O-N 2.97Å; A127-S130 PolarHBondContact O-N 2.87Å; A127-C131 HydrophobicContact CB-CB 4.18Å; A127-C131 PolarHBondContact O-N 2.92Å; A127-C131 PolarHBondContact O-SG 2.72Å; A127-C131 VanDerWaalsContact O-SG 3.38Å
128R95.3Very high95.9Very high88 Ų8826.7 Ų26.733%0.33218%0.184SC..THydrogen-bonded Turntrans-51.2-31.6-172.862175.2175.9-86.8-5.1115.2I106 L107 E108 D124 L125 A126 S130I106-R128 VanDerWaalsContact CG2-O 3.23Å; I106-R128 WeakPolarHBondContact CG2-O 3.14Å; L107-R128 HydrophobicContact CB-CB 4.39Å; L107-R128 HydrophobicContact CD2-CB 3.98Å; L107-R128 HydrophobicContact CG-CB 4.29Å; E108-R128 HydrophobicContact CB-CB 4.28Å; E108-R128 HydrophobicContact CB-CG 4.28Å; E108-R128 WeakPolarHBondContact CB-O 3.27Å; E108-R128 PolarHBondContact N-O 3.17Å; E108-R128 IonicContact OE1-NE 3.58Å; E108-R128 PolarHBondContact OE1-NE 3.38Å; D124-R128 VanDerWaalsContact OD1-CD 3.3Å; D124-R128 WeakPolarHBondContact OD1-CD 3.3Å; D124-R128 IonicContact OD1-NH1 2.66Å; D124-R128 IonicContact OD2-NH1 3.49Å; L125-R128 VanDerWaalsContact O-CB 3.3Å; L125-R128 WeakPolarHBondContact O-CB 3.43Å; L125-R128 WeakPolarHBondContact O-CG 3.31Å; L125-R128 PolarHBondContact O-N 3.12Å; A126-R128 VanDerWaalsContact C-N 3.28Å; A126-R128 PolarHBondContact O-N 3.39Å; R128-S130 PolarHBondContact O-N 2.97Å
129G95.8Very high95.9Very high35 Ų3526.8 Ų26.836%0.36118%0.176SC..THydrogen-bonded Turntrans-76.1-5.5-179.900000114.1A127A127-G129 PolarHBondContact O-N 2.97Å
130S97.6Very high95.8Very high57 Ų5726.9 Ų26.940%0.39918%0.181SC..THydrogen-bonded Turntrans-140.2-29.4-178.1-56.40000113.7G64 A127 R128G64-S130 VanDerWaalsContact CA-O 3.23Å; G64-S130 WeakPolarHBondContact CA-O 3.4Å; A127-S130 PolarHBondContact O-N 2.87Å; R128-S130 PolarHBondContact O-N 2.97Å
131C98Very high95.7Very high2 Ų226.5 Ų26.51%0.01418%0.181CC..  trans-64.4141.7176.572.20000110.5I106 L107 L125 A127I106-C131 WeakPolarHBondContact CA-O 3.25Å; L107-C131 VanDerWaalsContact CB-SG 3.56Å; L107-C131 PolarHBondContact N-O 2.9Å; L125-C131 HydrophobicContact CD1-CB 4.3Å; L125-C131 VanDerWaalsContact CD1-SG 3.57Å; A127-C131 HydrophobicContact CB-CB 4.18Å; A127-C131 PolarHBondContact O-N 2.92Å; A127-C131 PolarHBondContact O-SG 2.72Å; A127-C131 VanDerWaalsContact O-SG 3.38Å
132M98.7Very high95.3Very high20 Ų2026.7 Ų26.710%0.09918%0.183CC..BIsolated β-bridgetrans-105.2145.6178.6-62.9173-173.800109.7C84 G104 C105 G134 G135 N136C84-M132 HydrophobicContact CB-CE 3.5Å; C84-M132 HydrophobicContact CB-SD 4.26Å; G104-M132 WeakPolarHBondContact O-CG 3.36Å; C105-M132 CarbonylContact O-C 3.52Å; C105-M132 VanDerWaalsContact O-CA 3.31Å; C105-M132 WeakPolarHBondContact O-CA 3.47Å; M132-G134 VanDerWaalsContact C-N 3.29Å; M132-G134 PolarHBondContact O-N 2.82Å; M132-G135 VanDerWaalsContact O-CA 3.31Å; M132-G135 WeakPolarHBondContact O-CA 3.44Å; M132-G135 PolarHBondContact O-N 3.38Å; M132-N136 PolarHBondContact O-N 3.02Å; M132-N136 PolarHBondContact O-OD1 3.42Å; M132-N136 VanDerWaalsContact O-OD1 3.13Å
133I98.6Very high94.7Very high0 Ų026.9 Ų26.90%019%0.186CC..Hα-helixtrans-58.2-38.5-172-168.161.8000112.9E102 C105 L107 L110 M121 F123 G135 N136 V137 L203E102-I133 WeakPolarHBondContact O-CG2 3.39Å; C105-I133 HydrophobicContact CB-CG2 4.1Å; C105-I133 PolarHBondContact O-N 3.16Å; L107-I133 HydrophobicContact CD1-CD1 4.47Å; L110-I133 HydrophobicContact CD1-CB 3.74Å; L110-I133 HydrophobicContact CD1-CD1 4.2Å; L110-I133 HydrophobicContact CD1-CG1 3.89Å; L110-I133 HydrophobicContact CD1-CG2 4.04Å; M121-I133 HydrophobicContact CE-CD1 3.76Å; F123-I133 HydrophobicContact CE1-CD1 4.3Å; F123-I133 HydrophobicContact CZ-CD1 3.69Å; I133-G135 VanDerWaalsContact C-N 3.28Å; I133-G135 PolarHBondContact O-N 2.92Å; I133-N136 WeakPolarHBondContact CA-OD1 3.33Å; I133-N136 WeakPolarHBondContact O-CB 3.44Å; I133-N136 PolarHBondContact O-N 3.42Å; I133-N136 VanDerWaalsContact O-N 3.12Å; I133-V137 WeakPolarHBondContact O-CG2 3.21Å; I133-V137 PolarHBondContact O-N 3.25Å; I133-L203 HydrophobicContact CB-CD2 4.42Å; I133-L203 HydrophobicContact CG1-CD1 3.9Å; I133-L203 HydrophobicContact CG1-CD2 3.85Å; I133-L203 HydrophobicContact CG1-CG 4.4Å; I133-L203 HydrophobicContact CG2-CD2 3.96Å
134G98.5Very high94.3Very high7 Ų728.1 Ų28.17%0.07219%0.192CC..Hα-helixtrans-63.4-34.8174.600000112.7A103 M132 A138A103-G134 WeakPolarHBondContact O-CA 3.33Å; A103-G134 PolarHBondContact O-N 2.9Å; M132-G134 VanDerWaalsContact C-N 3.29Å; M132-G134 PolarHBondContact O-N 2.82Å; G134-A138 VanDerWaalsContact O-CB 3.23Å; G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.49Å
135G98.4Very high94.4Very high27 Ų2727.2 Ų27.228%0.27819%0.187SC..Hα-helixtrans-65.8-44.8170.800000111.8M132 I133 V137 A138 T139M132-G135 VanDerWaalsContact O-CA 3.31Å; M132-G135 WeakPolarHBondContact O-CA 3.44Å; M132-G135 PolarHBondContact O-N 3.38Å; I133-G135 VanDerWaalsContact C-N 3.28Å; I133-G135 PolarHBondContact O-N 2.92Å; G135-V137 VanDerWaalsContact C-N 3.33Å; G135-V137 PolarHBondContact O-N 2.93Å; G135-A138 PolarHBondContact O-N 2.77Å; G135-T139 WeakPolarHBondContact O-CG2 3.03Å; G135-T139 PolarHBondContact O-N 2.91Å; G135-T139 PolarHBondContact O-OG1 2.96Å
136N98.2Very high94.6Very high6 Ų627.9 Ų27.93%0.03219%0.191CC..Hα-helixtrans-59.6-43.1176.6-59.3120.4000111.8F123 M132 I133 T139 C140 A141 L152F123-N136 HydrophobicContact CE2-CB 3.92Å; F123-N136 HydrophobicContact CZ-CB 3.9Å; M132-N136 PolarHBondContact O-N 3.02Å; M132-N136 PolarHBondContact O-OD1 3.42Å; M132-N136 VanDerWaalsContact O-OD1 3.13Å; I133-N136 WeakPolarHBondContact CA-OD1 3.33Å; I133-N136 WeakPolarHBondContact O-CB 3.44Å; I133-N136 PolarHBondContact O-N 3.42Å; I133-N136 VanDerWaalsContact O-N 3.12Å; N136-T139 PolarHBondContact O-N 3.14Å; N136-T139 PolarHBondContact O-OG1 2.73Å; N136-C140 WeakPolarHBondContact O-CA 3.39Å; N136-C140 PolarHBondContact O-N 2.86Å; N136-A141 HydrophobicContact CB-CB 4Å; N136-A141 PolarHBondContact O-N 3.31Å; N136-L152 HydrophobicContact CB-CD1 4.02Å
137V98.2Very high94.9Very high0 Ų024.4 Ų24.40%016%0.157CC..Hα-helixtrans-65.3-47175.2-177.70000111I133 G135 T139 C140 L152 M156 V191 G192 I200 L203I133-V137 WeakPolarHBondContact O-CG2 3.21Å; I133-V137 PolarHBondContact O-N 3.25Å; G135-V137 VanDerWaalsContact C-N 3.33Å; G135-V137 PolarHBondContact O-N 2.93Å; V137-T139 PolarHBondContact O-N 3.06Å; V137-C140 PolarHBondContact O-N 3.45Å; V137-L152 HydrophobicContact CB-CD2 4.29Å; V137-L152 HydrophobicContact CG1-CD2 4.27Å; V137-L152 HydrophobicContact CG2-CD1 4.48Å; V137-L152 HydrophobicContact CG2-CD2 4.02Å; V137-M156 HydrophobicContact CG1-CE 4.06Å; V137-M156 HydrophobicContact CG1-SD 4.22Å; V137-M156 HydrophobicContact CG2-CE 4.06Å; V137-M156 HydrophobicContact CG2-SD 3.68Å; V137-V191 HydrophobicContact CG1-CB 4.33Å; V137-V191 HydrophobicContact CG1-CG1 4.3Å; V137-V191 HydrophobicContact CG1-CG2 3.83Å; V137-V191 WeakPolarHBondContact O-CA 3.34Å; V137-G192 PolarHBondContact O-N 3.01Å; V137-I200 HydrophobicContact CB-CD1 3.94Å; V137-I200 HydrophobicContact CG1-CD1 3.69Å; V137-L203 HydrophobicContact CG2-CD2 3.76Å
138A98.3Very high95Very high15 Ų1526.6 Ų26.612%0.12416%0.159CC..Hα-helixtrans-61.8-29.8-179.400000112.8G134 G135 G192 S193 E194 I200G134-A138 VanDerWaalsContact O-CB 3.23Å; G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.49Å; G135-A138 PolarHBondContact O-N 2.77Å; A138-G192 CarbonylContact O-C 3.54Å; A138-G192 WeakPolarHBondContact O-CA 3.36Å; A138-G192 PolarHBondContact O-N 2.84Å; A138-S193 PolarHBondContact O-N 3.4Å; A138-S193 VanDerWaalsContact O-N 3.11Å; A138-E194 WeakPolarHBondContact O-CA 3.38Å; A138-E194 PolarHBondContact O-N 3.24Å; A138-I200 HydrophobicContact CB-CD1 4.43Å
139T97.4Very high95Very high44 Ų4423.9 Ų23.927%0.2715%0.15SC..Hα-helixtrans-95.9-3.4175.164.70000113.5G135 N136 V137 A141G135-T139 WeakPolarHBondContact O-CG2 3.03Å; G135-T139 PolarHBondContact O-N 2.91Å; G135-T139 PolarHBondContact O-OG1 2.96Å; N136-T139 PolarHBondContact O-N 3.14Å; N136-T139 PolarHBondContact O-OG1 2.73Å; V137-T139 PolarHBondContact O-N 3.06Å; T139-A141 VanDerWaalsContact C-N 3.29Å; T139-A141 PolarHBondContact O-N 3.44Å
140C96.3Very high95Very high37 Ų3723.3 Ų23.325%0.2514%0.144CC..THydrogen-bonded Turntrans48.751.2-169.1-169.80000111.9N136 V137 G142 V191N136-C140 WeakPolarHBondContact O-CA 3.39Å; N136-C140 PolarHBondContact O-N 2.86Å; V137-C140 PolarHBondContact O-N 3.45Å; C140-G142 PolarHBondContact O-N 2.82Å; C140-V191 HydrophobicContact CB-CG1 3.93Å
141A94.5Very high94.8Very high9 Ų922.4 Ų22.47%0.07414%0.137CC..  trans-53.1136.7-173.400000112.7L125 N136 T139L125-A141 HydrophobicContact CD2-CB 3.87Å; N136-A141 HydrophobicContact CB-CB 4Å; N136-A141 PolarHBondContact O-N 3.31Å; T139-A141 VanDerWaalsContact C-N 3.29Å; T139-A141 PolarHBondContact O-N 3.44Å
142G89Confident94.7Very high5 Ų522.4 Ų22.45%0.05214%0.137CC..  trans-88.4-142.9170.800000112.1C140C140-G142 PolarHBondContact O-N 2.82Å
143G84.6Confident94.5Very high5 Ų527.1 Ų27.15%0.05215%0.154CC..  trans142.6177.5179.200000114.1D124 H145 L146 E466D124-G143 WeakPolarHBondContact O-CA 3.46Å; G143-H145 PolarHBondContact O-N 2.8Å; G143-H145 VanDerWaalsContact O-N 3.08Å; G143-L146 WeakPolarHBondContact O-CB 3.23Å; G143-L146 PolarHBondContact O-N 2.78Å; G143-E466 PolarHBondContact N-OE1 2.72Å; G143-E466 VanDerWaalsContact N-OE1 3.16Å
144L84.1Confident94.3Very high36 Ų3629.8 Ų29.819%0.18818%0.182CC..THydrogen-bonded Turntrans-61.4-25-167.1-62.9176.5000115D124 S244 W374D124-L144 PolarHBondContact O-N 3.01Å; L144-S244 PolarHBondContact O-OG 3.3Å; L144-W374 HydrophobicContact CB-CH2 4.3Å; L144-W374 HydrophobicContact CD1-CE3 4.49Å; L144-W374 HydrophobicContact CD1-CH2 4.1Å; L144-W374 HydrophobicContact CD1-CZ3 3.87Å; L144-W374 HydrophobicContact CD2-CH2 4Å; L144-W374 HydrophobicContact CD2-CZ3 3.77Å; L144-W374 HydrophobicContact CG-CH2 4.36Å; L144-W374 HydrophobicContact CG-CZ3 4.33Å
145H91.8Very high94.2Very high14 Ų1430.5 Ų30.57%0.06518%0.183CC..THydrogen-bonded Turntrans-11016.3-175.2-50.1147.4000113.1G143 L147 R148 F149 S244 E332 M334G143-H145 PolarHBondContact O-N 2.8Å; G143-H145 VanDerWaalsContact O-N 3.08Å; H145-L147 PolarHBondContact O-N 3.46Å; H145-R148 PolarHBondContact O-N 3.28Å; H145-F149 HydrophobicContact CB-CD2 3.58Å; H145-F149 HydrophobicContact CB-CE2 3.78Å; H145-F149 PolarHBondContact O-N 3.49Å; H145-S244 PolarHBondContact CD2-OG 2.89Å; H145-E332 IonicContact CD2-OE1 3.74Å; H145-E332 IonicContact NE2-OE1 2.7Å; H145-E332 PolarHBondContact NE2-OE1 3.2Å; H145-M334 WeakPolarHBondContact CE1-CE 3.47Å; H145-M334 WeakPolarHBondContact NE2-CE 3.33Å
146L93.7Very high94.1Very high45 Ų4529.3 Ų29.324%0.23617%0.17CC..Hα-helixtrans-57.8-37.3178.8-175.4134000111.5G143 R148 G150 P151 D428G143-L146 WeakPolarHBondContact O-CB 3.23Å; G143-L146 PolarHBondContact O-N 2.78Å; L146-R148 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact O-N 3.14Å; L146-G150 WeakPolarHBondContact O-CA 3.4Å; L146-G150 PolarHBondContact O-N 3.31Å; L146-P151 HydrophobicContact CD1-CB 4.34Å; L146-D428 HydrophobicContact CD2-CB 3.85Å; L146-D428 VanDerWaalsContact CD2-CG 3.41Å; L146-D428 WeakPolarHBondContact CD2-OD1 3.48Å
147L93.4Very high94Very high32 Ų3229.9 Ų29.917%0.16817%0.173CC..Hα-helixtrans-51-36.9173.7179.961.1000113.7H145 L242 V245 D428H145-L147 PolarHBondContact O-N 3.46Å; L147-L242 HydrophobicContact CD2-CD2 3.87Å; L147-L242 HydrophobicContact CD2-CG 3.83Å; L147-V245 HydrophobicContact CD2-CB 4.12Å; L147-V245 HydrophobicContact CD2-CG2 3.68Å; L147-D428 VanDerWaalsContact CA-OD1 3.26Å; L147-D428 WeakPolarHBondContact CA-OD1 3.41Å; L147-D428 WeakPolarHBondContact CB-OD1 3.44Å; L147-D428 PolarHBondContact N-OD1 3.42Å
148R94.9Very high93.9Very high75 Ų7529.9 Ų29.928%0.28317%0.173SC..Hα-helixtrans-95-49.8-172.7169.557.8169.1161.1-13.3113.5H145 L146 P240 L242H145-R148 PolarHBondContact O-N 3.28Å; L146-R148 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact O-N 3.14Å; R148-P240 WeakPolarHBondContact CD-O 3.37Å; R148-P240 PolarHBondContact NE-O 3.43Å; R148-P240 VanDerWaalsContact NH1-CA 3.3Å; R148-P240 PolarHBondContact NH1-O 2.7Å; R148-P240 PolarHBondContact NH2-O 2.94Å; R148-L242 WeakPolarHBondContact CB-O 3.25Å
149F95.4Very high93.9Very high31 Ų3129.2 Ų29.214%0.13617%0.167CC..Hα-helixtrans-94-11.2-174.5-58.5-58.1000111.8M120 P122 H145 H155 V208 P211M120-F149 HydrophobicContact CE-CE2 4.41Å; P122-F149 HydrophobicContact CB-CB 4.33Å; P122-F149 WeakPolarHBondContact O-CB 3.49Å; P122-F149 WeakPolarHBondContact O-CD2 3.36Å; H145-F149 HydrophobicContact CB-CD2 3.58Å; H145-F149 HydrophobicContact CB-CE2 3.78Å; H145-F149 PolarHBondContact O-N 3.49Å; F149-H155 PolarHBondContact O-CE1 2.88Å; F149-H155 PolarHBondContact O-NE2 2.75Å; F149-V208 HydrophobicContact CD1-CB 4.07Å; F149-V208 HydrophobicContact CD1-CG1 3.79Å; F149-V208 HydrophobicContact CD1-CG2 3.89Å; F149-V208 HydrophobicContact CE1-CB 4.04Å; F149-V208 HydrophobicContact CE1-CG1 4.28Å; F149-V208 HydrophobicContact CE1-CG2 3.73Å; F149-V208 HydrophobicContact CE2-CG2 4.44Å; F149-V208 HydrophobicContact CG-CG1 4.39Å; F149-V208 HydrophobicContact CG-CG2 4.31Å; F149-V208 HydrophobicContact CZ-CG2 4.03Å; F149-P211 HydrophobicContact CZ-CG 4.42Å
150G94.7Very high94Very high23 Ų2327.3 Ų27.324%0.23716%0.156CC..  trans78.2-178.2-177.500000112.6L146L146-G150 WeakPolarHBondContact O-CA 3.4Å; L146-G150 PolarHBondContact O-N 3.31Å
151P94.7Very high94.1Very high38 Ų3825.6 Ų25.625%0.24714%0.144CC..  trans-75.4153.4-174.330.6-34.7000112.1L146 Y153 G154L146-P151 HydrophobicContact CD1-CB 4.34Å; P151-Y153 VanDerWaalsContact C-N 3.26Å; P151-Y153 HydrophobicContact CB-CD1 3.73Å; P151-Y153 HydrophobicContact CB-CE1 3.34Å; P151-Y153 HydrophobicContact CB-CE2 4.39Å; P151-Y153 HydrophobicContact CB-CG 4.4Å; P151-Y153 HydrophobicContact CG-CD1 4.02Å; P151-Y153 HydrophobicContact CG-CD2 4.19Å; P151-Y153 HydrophobicContact CG-CE1 3.42Å; P151-Y153 VanDerWaalsContact CG-CE1 3.42Å; P151-Y153 HydrophobicContact CG-CE2 3.6Å; P151-Y153 HydrophobicContact CG-CG 4.37Å; P151-Y153 WeakPolarHBondContact CG-OH 3.2Å; P151-Y153 PolarHBondContact O-N 3.14Å; P151-Y153 VanDerWaalsContact O-N 3.14Å; P151-G154 PolarHBondContact O-N 2.81Å
152L95.2Very high94.3Very high2 Ų225.1 Ų25.11%0.0114%0.14CC..G310 helixtrans-50.8-42-178.4-178.2154.2000113.1F123 N136 V137 G154 H155 M156 V191F123-L152 HydrophobicContact CD1-CD1 4.2Å; F123-L152 HydrophobicContact CD1-CG 4.46Å; F123-L152 HydrophobicContact CE1-CD1 3.62Å; F123-L152 HydrophobicContact CE1-CG 4.09Å; F123-L152 HydrophobicContact CE2-CD1 4.35Å; F123-L152 HydrophobicContact CZ-CD1 3.71Å; N136-L152 HydrophobicContact CB-CD1 4.02Å; V137-L152 HydrophobicContact CB-CD2 4.29Å; V137-L152 HydrophobicContact CG1-CD2 4.27Å; V137-L152 HydrophobicContact CG2-CD1 4.48Å; V137-L152 HydrophobicContact CG2-CD2 4.02Å; L152-G154 PolarHBondContact O-N 2.9Å; L152-G154 VanDerWaalsContact O-N 3.12Å; L152-H155 PolarHBondContact O-N 2.88Å; L152-M156 HydrophobicContact CD2-CG 3.72Å; L152-M156 HydrophobicContact CD2-SD 4.02Å; L152-M156 PolarHBondContact O-N 3.16Å; L152-V191 HydrophobicContact CD2-CG1 3.88Å
153Y94.4Very high94.7Very high119 Ų11924.9 Ų24.947%0.46714%0.138SC..G310 helixtrans-62.2-20.5-179.762.4-103.8000113.7P151 H155P151-Y153 VanDerWaalsContact C-N 3.26Å; P151-Y153 HydrophobicContact CB-CD1 3.73Å; P151-Y153 HydrophobicContact CB-CE1 3.34Å; P151-Y153 HydrophobicContact CB-CE2 4.39Å; P151-Y153 HydrophobicContact CB-CG 4.4Å; P151-Y153 HydrophobicContact CG-CD1 4.02Å; P151-Y153 HydrophobicContact CG-CD2 4.19Å; P151-Y153 HydrophobicContact CG-CE1 3.42Å; P151-Y153 VanDerWaalsContact CG-CE1 3.42Å; P151-Y153 HydrophobicContact CG-CE2 3.6Å; P151-Y153 HydrophobicContact CG-CG 4.37Å; P151-Y153 WeakPolarHBondContact CG-OH 3.2Å; P151-Y153 PolarHBondContact O-N 3.14Å; P151-Y153 VanDerWaalsContact O-N 3.14Å; Y153-H155 VanDerWaalsContact C-N 3.29Å
154G94.4Very high95.4Very high56 Ų5624.9 Ų24.958%0.57714%0.137SC*.G310 helixtrans-73.2-21.1174.300000113.6P151 L152P151-G154 PolarHBondContact O-N 2.81Å; L152-G154 PolarHBondContact O-N 2.9Å; L152-G154 VanDerWaalsContact O-N 3.12Å
155H96.1Very high96Very high22 Ų2224.4 Ų24.410%0.10213%0.134CC..THydrogen-bonded Turntrans-98.6-13.4-179.6-65-82.6000113.4P122 F149 L152 Y153 L157 I205 C206P122-H155 VanDerWaalsContact CB-CE1 3.41Å; P122-H155 WeakPolarHBondContact CB-CE1 3.46Å; P122-H155 WeakPolarHBondContact CB-NE2 3.37Å; P122-H155 HydrophobicContact CG-CB 3.95Å; F149-H155 PolarHBondContact O-CE1 2.88Å; F149-H155 PolarHBondContact O-NE2 2.75Å; L152-H155 PolarHBondContact O-N 2.88Å; Y153-H155 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 2.88Å; H155-I205 HydrophobicContact CB-CD1 4.25Å; H155-I205 HydrophobicContact CB-CG1 3.79Å; H155-I205 WeakPolarHBondContact O-CA 3.48Å; H155-C206 HydrophobicContact CB-CB 4.44Å; H155-C206 PolarHBondContact ND1-O 3.45Å; H155-C206 PolarHBondContact O-N 3.47Å
156M96.3Very high96.1Very high1 Ų131.9 Ų31.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-71.2123.3179.2-68.8-59.5-57.600111V137 L152 L159 V191 L203 I205V137-M156 HydrophobicContact CG1-CE 4.06Å; V137-M156 HydrophobicContact CG1-SD 4.22Å; V137-M156 HydrophobicContact CG2-CE 4.06Å; V137-M156 HydrophobicContact CG2-SD 3.68Å; L152-M156 HydrophobicContact CD2-CG 3.72Å; L152-M156 HydrophobicContact CD2-SD 4.02Å; L152-M156 PolarHBondContact O-N 3.16Å; M156-L159 HydrophobicContact CE-CD2 4.47Å; M156-V191 HydrophobicContact CG-CG2 4.2Å; M156-L203 HydrophobicContact CE-CB 3.87Å; M156-L203 HydrophobicContact CE-CD1 4.48Å; M156-I205 HydrophobicContact SD-CD1 4.26Å; M156-I205 HydrophobicContact SD-CG1 4.35Å
157L96.5Very high96.2Very high19 Ų1931.3 Ų31.310%0.09918%0.175CC..EExtended strand (participates in β ladder)trans-98.1-41.6175.2-60.7-174.7000111.8I98 H155 S175 S204I98-L157 HydrophobicContact CB-CD1 4.41Å; I98-L157 HydrophobicContact CD1-CD1 3.54Å; I98-L157 HydrophobicContact CG1-CD1 3.75Å; I98-L157 HydrophobicContact CG2-CD1 3.81Å; H155-L157 PolarHBondContact O-N 2.88Å; L157-S175 WeakPolarHBondContact CB-O 3.04Å; L157-S204 PolarHBondContact N-O 3.2Å
158G97Very high96.4Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-166.8158.6-172.800000112.5M173 L203 S204G158-M173 CarbonylContact C-O 3.54Å; G158-M173 WeakPolarHBondContact CA-O 3.06Å; G158-L203 WeakPolarHBondContact O-CA 3.3Å; G158-S204 WeakPolarHBondContact CA-OG 3.36Å; G158-S204 PolarHBondContact N-O 3.23Å; G158-S204 PolarHBondContact N-OG 2.98Å; G158-S204 PolarHBondContact O-N 3.29Å; G158-S204 PolarHBondContact O-OG 2.83Å
159L98.1Very high96.6Very high0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-148.6153.3174.564.887.5000112.4M156 A161 M173 L174 T187 F190 I200 R202 L203M156-L159 HydrophobicContact CE-CD2 4.47Å; L159-A161 HydrophobicContact CD1-CB 3.73Å; L159-M173 HydrophobicContact CD1-CE 3.51Å; L159-M173 HydrophobicContact CG-CE 4.21Å; L159-M173 PolarHBondContact N-O 3.38Å; L159-M173 CarbonylContact O-C 3.59Å; L159-M173 VanDerWaalsContact O-CA 3.29Å; L159-M173 WeakPolarHBondContact O-CA 3.32Å; L159-M173 WeakPolarHBondContact O-CB 3.21Å; L159-M173 PolarHBondContact O-N 2.84Å; L159-L174 PolarHBondContact O-N 2.8Å; L159-T187 HydrophobicContact CD2-CG2 4.44Å; L159-T187 HydrophobicContact CG-CG2 4.07Å; L159-F190 HydrophobicContact CD1-CB 4.42Å; L159-F190 HydrophobicContact CD1-CD2 4.09Å; L159-F190 HydrophobicContact CD1-CG 4.18Å; L159-F190 HydrophobicContact CD2-CB 3.91Å; L159-F190 HydrophobicContact CD2-CG 4.46Å; L159-I200 HydrophobicContact CB-CG2 4.49Å; L159-R202 CarbonylContact C-O 3.51Å; L159-R202 WeakPolarHBondContact CA-O 3.42Å; L159-R202 WeakPolarHBondContact CB-O 3.29Å; L159-L203 HydrophobicContact CB-CB 4.25Å
160E98.6Very high96.7Very high5 Ų531.9 Ų31.92%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-100.5131.6163.9-172.1-173.177.200108.2S42 K170 L171 L174 T201 R202S42-E160 WeakPolarHBondContact CB-OE1 3.46Å; S42-E160 PolarHBondContact OG-OE1 3.3Å; E160-K170 HydrophobicContact CG-CD 4.32Å; E160-K170 HydrophobicContact CG-CG 4.01Å; E160-L171 WeakPolarHBondContact CA-O 3.49Å; E160-L174 HydrophobicContact CB-CD1 4.28Å; E160-L174 HydrophobicContact CB-CG 4.29Å; E160-T201 WeakPolarHBondContact CB-OG1 3.48Å; E160-T201 WeakPolarHBondContact CG-OG1 3.31Å; E160-T201 PolarHBondContact O-N 2.87Å; E160-T201 PolarHBondContact O-OG1 2.99Å; E160-T201 PolarHBondContact OE1-OG1 3.41Å; E160-R202 HydrophobicContact CB-CB 3.92Å; E160-R202 HydrophobicContact CB-CG 4.48Å; E160-R202 PolarHBondContact N-O 3.38Å; E160-R202 IonicContact OE1-NE 4Å; E160-R202 IonicContact OE2-NH1 3.77Å
161A98.6Very high96.8Very high0 Ų032.3 Ų32.30%018%0.179CC..EExtended strand (participates in β ladder)trans-132.9144176.200000111.8L159 L171 F190 I199L159-A161 HydrophobicContact CD1-CB 3.73Å; A161-L171 PolarHBondContact N-O 2.57Å; A161-L171 PolarHBondContact O-N 3.42Å; A161-F190 HydrophobicContact CB-CD1 4.03Å; A161-F190 HydrophobicContact CB-CE1 3.74Å; A161-F190 HydrophobicContact CB-CZ 4.1Å; A161-I199 CarbonylContact C-O 3.58Å; A161-I199 VanDerWaalsContact CA-O 3.25Å; A161-I199 WeakPolarHBondContact CA-O 3.43Å
162I98.7Very high96.9Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-99.1126.4168.1-53.2-54.9000108.9I45 L46 I49 Q169 K170 G198 I199 T201I45-I162 HydrophobicContact CB-CG1 4.19Å; I45-I162 HydrophobicContact CG2-CB 3.85Å; I45-I162 HydrophobicContact CG2-CG1 3.68Å; I45-I162 HydrophobicContact CG2-CG2 4.13Å; L46-I162 HydrophobicContact CB-CD1 4.25Å; L46-I162 HydrophobicContact CB-CG2 4.36Å; L46-I162 HydrophobicContact CD1-CG2 4Å; I49-I162 HydrophobicContact CB-CG2 4.01Å; I49-I162 HydrophobicContact CG1-CG2 3.78Å; I49-I162 HydrophobicContact CG2-CG2 4.2Å; I162-Q169 WeakPolarHBondContact CA-O 3.49Å; I162-K170 HydrophobicContact CD1-CB 3.61Å; I162-K170 HydrophobicContact CD1-CD 4.39Å; I162-K170 HydrophobicContact CD1-CG 3.66Å; I162-G198 CarbonylContact O-C 3.57Å; I162-G198 VanDerWaalsContact O-CA 3.22Å; I162-G198 WeakPolarHBondContact O-CA 3.37Å; I162-I199 PolarHBondContact N-O 3.15Å; I162-I199 PolarHBondContact O-N 3.22Å; I162-T201 HydrophobicContact CG1-CG2 3.77Å
163V98.5Very high97Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-122.3148.6-177.6-580000111L165 G168 Q169 L171 F190 L197 F496V163-L165 HydrophobicContact CB-CB 4.5Å; V163-L165 HydrophobicContact CG2-CB 3.78Å; V163-L165 PolarHBondContact O-N 2.69Å; V163-G168 CarbonylContact O-C 3.56Å; V163-G168 VanDerWaalsContact O-CA 3.29Å; V163-G168 WeakPolarHBondContact O-CA 3.45Å; V163-Q169 HydrophobicContact CG2-CB 3.91Å; V163-Q169 PolarHBondContact N-O 3.28Å; V163-Q169 PolarHBondContact O-N 3.11Å; V163-L171 HydrophobicContact CG1-CD1 3.74Å; V163-L171 HydrophobicContact CG1-CG 4.32Å; V163-L171 HydrophobicContact CG2-CD1 3.95Å; V163-L171 HydrophobicContact CG2-CG 4.01Å; V163-F190 HydrophobicContact CG1-CE1 3.9Å; V163-F190 HydrophobicContact CG1-CZ 3.99Å; V163-L197 VanDerWaalsContact CG1-O 3.3Å; V163-L197 WeakPolarHBondContact CG1-O 3.29Å; V163-F496 HydrophobicContact CB-CD1 4.35Å; V163-F496 HydrophobicContact CG1-CD1 4.03Å
164P98.3Very high97.1Very high4 Ų433.9 Ų33.93%0.02619%0.193CC..  trans-70.1-11.6176.1-20.932000115.3V53 E166 G167 G168 F496 D497 I501 L502V53-P164 HydrophobicContact CG2-CB 3.72Å; P164-E166 PolarHBondContact O-N 2.9Å; P164-G167 PolarHBondContact O-N 2.84Å; P164-G168 PolarHBondContact O-N 2.98Å; P164-F496 VanDerWaalsContact CD-O 3.27Å; P164-F496 WeakPolarHBondContact CD-O 3.5Å; P164-D497 HydrophobicContact CB-CB 4.38Å; P164-D497 HydrophobicContact CG-CB 3.91Å; P164-I501 HydrophobicContact CB-CD1 4.25Å; P164-I501 HydrophobicContact CB-CG1 4.31Å; P164-I501 HydrophobicContact CG-CD1 4.18Å; P164-I501 HydrophobicContact CG-CG1 4.02Å; P164-L502 HydrophobicContact CG-CD1 3.67Å; P164-L502 HydrophobicContact CG-CD2 4.18Å; P164-L502 HydrophobicContact CG-CG 3.65Å
165L96.1Very high97.1Very high27 Ų2732.3 Ų32.314%0.14117%0.172CC..G310 helixtrans-47.4136.7177.8178.763.8000111.6V163 G167 G168 H495 F496V163-L165 HydrophobicContact CB-CB 4.5Å; V163-L165 HydrophobicContact CG2-CB 3.78Å; V163-L165 PolarHBondContact O-N 2.69Å; L165-G167 PolarHBondContact O-N 2.57Å; L165-G167 VanDerWaalsContact O-N 3.14Å; L165-G168 CarbonylContact O-C 3.52Å; L165-G168 PolarHBondContact O-N 3.31Å; L165-H495 WeakPolarHBondContact CD1-O 3.42Å; L165-F496 PolarHBondContact N-O 2.85Å
166E95.6Very high96.9Very high170 Ų17034.5 Ų34.579%0.79419%0.191SC*.G310 helixtrans53.332.1178.5-66.2177.5-174.400114.4P164P164-E166 PolarHBondContact O-N 2.9Å
167G95.2Very high96.8Very high34 Ų3439.2 Ų39.235%0.35122%0.215SC..G310 helixtrans90.3-2179.700000114Q50 P164 L165Q50-G167 WeakPolarHBondContact CA-O 3.35Å; Q50-G167 VanDerWaalsContact CG-O 3.24Å; Q50-G167 WeakPolarHBondContact CG-O 3.27Å; P164-G167 PolarHBondContact O-N 2.84Å; L165-G167 PolarHBondContact O-N 2.57Å; L165-G167 VanDerWaalsContact O-N 3.14Å
168G98Very high96.6Very high13 Ų1345.4 Ų45.413%0.13424%0.237CC..SBendtrans124.9113.6-176.300000110.8V163 P164 L165V163-G168 CarbonylContact O-C 3.56Å; V163-G168 VanDerWaalsContact O-CA 3.29Å; V163-G168 WeakPolarHBondContact O-CA 3.45Å; P164-G168 PolarHBondContact O-N 2.98Å; L165-G168 CarbonylContact O-C 3.52Å; L165-G168 PolarHBondContact O-N 3.31Å
169Q97.9Very high96.5Very high68 Ų6854.3 Ų54.332%0.31828%0.276SS..EExtended strand (participates in β ladder)trans-132142.9-178.7-169.9-179.114.500111.1I162 V163 L171I162-Q169 WeakPolarHBondContact CA-O 3.49Å; V163-Q169 HydrophobicContact CG2-CB 3.91Å; V163-Q169 PolarHBondContact N-O 3.28Å; V163-Q169 PolarHBondContact O-N 3.11Å; Q169-L171 HydrophobicContact CG-CD2 4.07Å
170K98.1Very high96.2Very high68 Ų6857.1 Ų57.130%0.29629%0.291SS..EExtended strand (participates in β ladder)trans-94.1115.8167.7-178.5-177.3-64.2-178.40109.6D43 E160 I162D43-K170 IonicContact OD1-NZ 2.69Å; D43-K170 PolarHBondContact OD1-NZ 2.97Å; E160-K170 HydrophobicContact CG-CD 4.32Å; E160-K170 HydrophobicContact CG-CG 4.01Å; I162-K170 HydrophobicContact CD1-CB 3.61Å; I162-K170 HydrophobicContact CD1-CD 4.39Å; I162-K170 HydrophobicContact CD1-CG 3.66Å
171L97.2Very high95.9Very high32 Ų3264.2 Ų64.217%0.16833%0.329CS..EExtended strand (participates in β ladder)trans-95.8105.7172.8-57.6-178.5000108.7E160 A161 V163 Q169 M173 F190 F496E160-L171 WeakPolarHBondContact CA-O 3.49Å; A161-L171 PolarHBondContact N-O 2.57Å; A161-L171 PolarHBondContact O-N 3.42Å; V163-L171 HydrophobicContact CG1-CD1 3.74Å; V163-L171 HydrophobicContact CG1-CG 4.32Å; V163-L171 HydrophobicContact CG2-CD1 3.95Å; V163-L171 HydrophobicContact CG2-CG 4.01Å; Q169-L171 HydrophobicContact CG-CD2 4.07Å; L171-M173 HydrophobicContact CB-CE 4.2Å; L171-F190 HydrophobicContact CD1-CZ 4.05Å; L171-F496 HydrophobicContact CD1-CE1 3.97Å
172N96.5Very high95.6Very high108 Ų10868.7 Ų68.758%0.57836%0.36SS*.EExtended strand (participates in β ladder)trans-93.7104.8173.7-174.3-2.5000109.7L174N172-L174 WeakPolarHBondContact OD1-CB 3.32Å; N172-L174 PolarHBondContact OD1-N 3.47Å; N172-L174 VanDerWaalsContact OD1-N 3.1Å
173M96.3Very high95.2Very high40 Ų4074 Ų7420%0.19739%0.393CS..EExtended strand (participates in β ladder)trans-122.230.1175-52.5167.7-70.900109.9G158 L159 L171 L186 T187 F190G158-M173 CarbonylContact C-O 3.54Å; G158-M173 WeakPolarHBondContact CA-O 3.06Å; L159-M173 HydrophobicContact CD1-CE 3.51Å; L159-M173 HydrophobicContact CG-CE 4.21Å; L159-M173 PolarHBondContact N-O 3.38Å; L159-M173 CarbonylContact O-C 3.59Å; L159-M173 VanDerWaalsContact O-CA 3.29Å; L159-M173 WeakPolarHBondContact O-CA 3.32Å; L159-M173 WeakPolarHBondContact O-CB 3.21Å; L159-M173 PolarHBondContact O-N 2.84Å; L171-M173 HydrophobicContact CB-CE 4.2Å; M173-L186 HydrophobicContact SD-CB 3.6Å; M173-L186 HydrophobicContact SD-CD1 4.36Å; M173-T187 HydrophobicContact CB-CG2 3.79Å; M173-T187 HydrophobicContact CE-CG2 4.38Å; M173-T187 HydrophobicContact SD-CG2 4.28Å; M173-F190 HydrophobicContact CE-CD2 4.1Å; M173-F190 HydrophobicContact CE-CE2 3.7Å; M173-F190 HydrophobicContact CE-CZ 4.47Å
174L96.4Very high94.9Very high45 Ų4580.3 Ų80.324%0.23643%0.426CS..  trans-65.7142.4173.5-71.4168.8000109.9L159 E160 N172 R202L159-L174 PolarHBondContact O-N 2.8Å; E160-L174 HydrophobicContact CB-CD1 4.28Å; E160-L174 HydrophobicContact CB-CG 4.29Å; N172-L174 WeakPolarHBondContact OD1-CB 3.32Å; N172-L174 PolarHBondContact OD1-N 3.47Å; N172-L174 VanDerWaalsContact OD1-N 3.1Å; L174-R202 HydrophobicContact CD1-CB 4.19Å; L174-R202 HydrophobicContact CD2-CB 4.16Å
175S94.5Very high94.6Very high22 Ų2285.2 Ų85.215%0.15444%0.444CS..  trans-156.8133.6179.8-178.70000109.8L157 L177 S204L157-S175 WeakPolarHBondContact CB-O 3.04Å; S175-L177 VanDerWaalsContact C-N 3.33Å; S175-L177 WeakPolarHBondContact OG-CB 3.47Å; S175-L177 PolarHBondContact OG-N 3.33Å; S175-L177 VanDerWaalsContact OG-N 3.14Å; S175-S204 PolarHBondContact N-OG 3Å; S175-S204 VanDerWaalsContact O-CB 3.31Å; S175-S204 WeakPolarHBondContact O-CB 3.07Å; S175-S204 PolarHBondContact O-OG 2.88Å
176S93.1Very high94.5Very high69 Ų6987.5 Ų87.548%0.48346%0.456SS..  trans-97.917.8169.1550000112I98I98-S176 WeakPolarHBondContact CD1-O 3.34Å
177L94.4Very high94.4Very high99 Ų9979.9 Ų79.952%0.51842%0.421SS..  trans-97.4117.7-179.4-58.2178.8000111.2S175 K179 D180S175-L177 VanDerWaalsContact C-N 3.33Å; S175-L177 WeakPolarHBondContact OG-CB 3.47Å; S175-L177 PolarHBondContact OG-N 3.33Å; S175-L177 VanDerWaalsContact OG-N 3.14Å; L177-K179 PolarHBondContact O-N 2.84Å; L177-D180 HydrophobicContact CB-CB 4.29Å; L177-D180 HydrophobicContact CD1-CB 4.41Å
178R92.1Very high94.4Very high150 Ų15081.5 Ų81.557%0.56642%0.421SS*.SBendtrans-61.1-28.1172.2-72-166.7179.6-156.21.1113.6S96 I98S96-R178 PolarHBondContact O-NH2 2.95Å; I98-R178 HydrophobicContact CD1-CG 4.42Å
179K93.5Very high94.3Very high187 Ų18783.6 Ų83.681%0.81343%0.429SS*.  trans-130.4107.2179.9-69.5177.164.7-179.20109.8L177L177-K179 PolarHBondContact O-N 2.84Å
180D92.4Very high94.3Very high59 Ų5980.4 Ų80.432%0.31642%0.415SS..  trans-144.1117171.5-177.311.6000109.1L177 S182 R185L177-D180 HydrophobicContact CB-CB 4.29Å; L177-D180 HydrophobicContact CD1-CB 4.41Å; D180-S182 WeakPolarHBondContact OD1-CB 3.19Å; D180-S182 PolarHBondContact OD1-N 3.43Å; D180-S182 PolarHBondContact OD1-OG 3.32Å; D180-S182 PolarHBondContact OD2-OG 3.04Å; D180-R185 PolarHBondContact O-NH2 3.36Å
181N93.2Very high94.3Very high153 Ų15378.1 Ų78.182%0.81841%0.406SS*.  trans-12121.6178.9-67.3-11.7000110.6T183N181-T183 PolarHBondContact O-N 3.35Å
182S91.7Very high94.2Very high95 Ų9578.2 Ų78.266%0.66442%0.415SS*.SBendtrans-70.9-10-17760.60000114.4D180D180-S182 WeakPolarHBondContact OD1-CB 3.19Å; D180-S182 PolarHBondContact OD1-N 3.43Å; D180-S182 PolarHBondContact OD1-OG 3.32Å; D180-S182 PolarHBondContact OD2-OG 3.04Å
183T89.8Confident94.3Very high110 Ų11073.8 Ų73.868%0.67539%0.392SS*.SBendtrans-161.4-178.9-179.3-171.70000111.5N181N181-T183 PolarHBondContact O-N 3.35Å
184L92.7Very high94.4Very high134 Ų13472.8 Ų72.870%0.70239%0.387SS*.  trans-61.8135.1167.8-61.8177.1000110.2L186L184-L186 HydrophobicContact CB-CD2 4.33Å; L184-L186 PolarHBondContact O-N 3.04Å
185R92Very high94.4Very high107 Ų10770.9 Ų70.940%0.40438%0.378SS..  trans-77.872.2177.8-169.4164.7-74.8-155.4-4111.4D180 T187 N188D180-R185 PolarHBondContact O-NH2 3.36Å; R185-T187 VanDerWaalsContact CG-OG1 3.29Å; R185-T187 WeakPolarHBondContact CG-OG1 3.16Å; R185-T187 PolarHBondContact O-N 2.81Å; R185-N188 PolarHBondContact O-N 3.1Å
186L93.7Very high94.6Very high75 Ų7570 Ų7039%0.39337%0.372SS..G310 helixtrans-60.1-26.6-177.9-65.8-179.9000113.2M173 L184 N188 L189M173-L186 HydrophobicContact SD-CB 3.6Å; M173-L186 HydrophobicContact SD-CD1 4.36Å; L184-L186 HydrophobicContact CB-CD2 4.33Å; L184-L186 PolarHBondContact O-N 3.04Å; L186-N188 PolarHBondContact O-N 2.82Å; L186-L189 HydrophobicContact CD2-CD1 3.98Å; L186-L189 VanDerWaalsContact O-CB 3.3Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 2.8Å
187T94.4Very high94.8Very high9 Ų967.2 Ų67.26%0.05535%0.351CS..G310 helixtrans-53.3-38.5176.155.50000112L159 M173 R185 L189 F190L159-T187 HydrophobicContact CD2-CG2 4.44Å; L159-T187 HydrophobicContact CG-CG2 4.07Å; M173-T187 HydrophobicContact CB-CG2 3.79Å; M173-T187 HydrophobicContact CE-CG2 4.38Å; M173-T187 HydrophobicContact SD-CG2 4.28Å; R185-T187 VanDerWaalsContact CG-OG1 3.29Å; R185-T187 WeakPolarHBondContact CG-OG1 3.16Å; R185-T187 PolarHBondContact O-N 2.81Å; T187-L189 PolarHBondContact O-N 3.26Å; T187-L189 VanDerWaalsContact O-N 3.15Å; T187-F190 PolarHBondContact O-N 3.48Å
188N94.6Very high95Very high68 Ų6862.6 Ų62.636%0.36433%0.328SS..G310 helixtrans-64.3-18.5179-76.323.6000113.7R185 L186 F190R185-N188 PolarHBondContact O-N 3.1Å; L186-N188 PolarHBondContact O-N 2.82Å; N188-F190 VanDerWaalsContact C-N 3.27Å; N188-F190 PolarHBondContact O-N 3.41Å
189L96.1Very high95.3Very high58 Ų5855.5 Ų55.530%0.30430%0.301SS..G310 helixtrans-69.1-28.8174.8-63175.4000112L186 T187 S193 L197 M492 F496L186-L189 HydrophobicContact CD2-CD1 3.98Å; L186-L189 VanDerWaalsContact O-CB 3.3Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 2.8Å; T187-L189 PolarHBondContact O-N 3.26Å; T187-L189 VanDerWaalsContact O-N 3.15Å; L189-S193 WeakPolarHBondContact O-CB 3.37Å; L189-L197 HydrophobicContact CB-CD1 3.98Å; L189-L197 VanDerWaalsContact O-CD1 3.24Å; L189-L197 WeakPolarHBondContact O-CD1 3.29Å; L189-M492 HydrophobicContact CD1-CE 4.25Å; L189-M492 HydrophobicContact CD1-SD 4.17Å; L189-M492 HydrophobicContact CD2-CE 4.11Å; L189-F496 HydrophobicContact CD1-CE2 4.05Å; L189-F496 HydrophobicContact CD1-CZ 4.2Å
190F97.6Very high95.5Very high1 Ų147.2 Ų47.20%0.00427%0.265CS..THydrogen-bonded Turntrans-87.4-20.7180-61.6-91.6000112.5L159 A161 V163 L171 M173 T187 N188 G192 S193 L197 I200 F496L159-F190 HydrophobicContact CD1-CB 4.42Å; L159-F190 HydrophobicContact CD1-CD2 4.09Å; L159-F190 HydrophobicContact CD1-CG 4.18Å; L159-F190 HydrophobicContact CD2-CB 3.91Å; L159-F190 HydrophobicContact CD2-CG 4.46Å; A161-F190 HydrophobicContact CB-CD1 4.03Å; A161-F190 HydrophobicContact CB-CE1 3.74Å; A161-F190 HydrophobicContact CB-CZ 4.1Å; V163-F190 HydrophobicContact CG1-CE1 3.9Å; V163-F190 HydrophobicContact CG1-CZ 3.99Å; L171-F190 HydrophobicContact CD1-CZ 4.05Å; M173-F190 HydrophobicContact CE-CD2 4.1Å; M173-F190 HydrophobicContact CE-CE2 3.7Å; M173-F190 HydrophobicContact CE-CZ 4.47Å; T187-F190 PolarHBondContact O-N 3.48Å; N188-F190 VanDerWaalsContact C-N 3.27Å; N188-F190 PolarHBondContact O-N 3.41Å; F190-G192 PolarHBondContact O-N 3.01Å; F190-S193 WeakPolarHBondContact O-CB 3.25Å; F190-S193 PolarHBondContact O-N 3.39Å; F190-S193 PolarHBondContact O-OG 2.7Å; F190-L197 HydrophobicContact CD1-CB 4.17Å; F190-L197 HydrophobicContact CE1-CB 4.01Å; F190-I200 HydrophobicContact CB-CD1 4.36Å; F190-I200 HydrophobicContact CB-CG1 4.43Å; F190-F496 HydrophobicContact CZ-CD1 4.47Å; F190-F496 HydrophobicContact CZ-CE1 4.13Å; F190-F496 HydrophobicContact CZ-CZ 4.44Å
191V97.1Very high95.9Very high19 Ų1944.4 Ų44.412%0.11525%0.25CS..THydrogen-bonded Turntrans-74120.5176.7-170.60000109.2V137 C140 L152 M156 S193V137-V191 HydrophobicContact CG1-CB 4.33Å; V137-V191 HydrophobicContact CG1-CG1 4.3Å; V137-V191 HydrophobicContact CG1-CG2 3.83Å; V137-V191 WeakPolarHBondContact O-CA 3.34Å; C140-V191 HydrophobicContact CB-CG1 3.93Å; L152-V191 HydrophobicContact CD2-CG1 3.88Å; M156-V191 HydrophobicContact CG-CG2 4.2Å; V191-S193 VanDerWaalsContact C-N 3.26Å; V191-S193 PolarHBondContact O-N 3.19Å
192G96.7Very high96.1Very high34 Ų3440.1 Ų40.135%0.35122%0.223SC..THydrogen-bonded Turntrans74.711.7-17400000114.4V137 A138 F190 E194V137-G192 PolarHBondContact O-N 3.01Å; A138-G192 CarbonylContact O-C 3.54Å; A138-G192 WeakPolarHBondContact O-CA 3.36Å; A138-G192 PolarHBondContact O-N 2.84Å; F190-G192 PolarHBondContact O-N 3.01Å; G192-E194 VanDerWaalsContact C-N 3.31Å; G192-E194 PolarHBondContact O-N 3.15Å
193S97.4Very high96.4Very high15 Ų1535.6 Ų35.611%0.10519%0.191CC..  trans-81.6-7-179.186.40000114.1A138 L189 F190 V191 G195 Q196A138-S193 PolarHBondContact O-N 3.4Å; A138-S193 VanDerWaalsContact O-N 3.11Å; L189-S193 WeakPolarHBondContact O-CB 3.37Å; F190-S193 WeakPolarHBondContact O-CB 3.25Å; F190-S193 PolarHBondContact O-N 3.39Å; F190-S193 PolarHBondContact O-OG 2.7Å; V191-S193 VanDerWaalsContact C-N 3.26Å; V191-S193 PolarHBondContact O-N 3.19Å; S193-G195 PolarHBondContact O-N 3.45Å; S193-G195 VanDerWaalsContact O-N 3.12Å; S193-Q196 WeakPolarHBondContact O-CB 3.36Å; S193-Q196 WeakPolarHBondContact O-CG 3.35Å; S193-Q196 PolarHBondContact O-N 2.86Å
194E98.1Very high96.8Very high20 Ų2030.3 Ų30.39%0.09316%0.159CC..THydrogen-bonded Turntrans49.939.6-178.3-61.2-177.9-111.400113.2A138 G192 Q196 I469 G470 N503 T507A138-E194 WeakPolarHBondContact O-CA 3.38Å; A138-E194 PolarHBondContact O-N 3.24Å; G192-E194 VanDerWaalsContact C-N 3.31Å; G192-E194 PolarHBondContact O-N 3.15Å; E194-Q196 PolarHBondContact O-N 2.84Å; E194-I469 PolarHBondContact OE1-N 3.22Å; E194-I469 PolarHBondContact OE2-N 2.64Å; E194-G470 WeakPolarHBondContact OE2-CA 3.23Å; E194-G470 PolarHBondContact OE2-N 2.86Å; E194-N503 PolarHBondContact O-ND2 2.84Å; E194-T507 WeakPolarHBondContact OE1-CG2 3.37Å; E194-T507 PolarHBondContact OE1-OG1 3.42Å; E194-T507 PolarHBondContact OE2-OG1 2.75Å
195G97.9Very high97.1Very high5 Ų524 Ų245%0.05213%0.126CC..THydrogen-bonded Turntrans70.16.7-178.600000115.2I61 S193 L197I61-G195 VanDerWaalsContact CD1-O 3.24Å; I61-G195 WeakPolarHBondContact CD1-O 3.46Å; S193-G195 PolarHBondContact O-N 3.45Å; S193-G195 VanDerWaalsContact O-N 3.12Å; G195-L197 VanDerWaalsContact C-N 3.33Å; G195-L197 PolarHBondContact O-N 3.44Å
196Q97.7Very high97.4Very high2 Ų219.5 Ų19.51%0.00911%0.11CC..SBendtrans-66.7-31.2-178.3-68-61.1-45.900113.5S193 E194 K493 N503 K506 L508S193-Q196 WeakPolarHBondContact O-CB 3.36Å; S193-Q196 WeakPolarHBondContact O-CG 3.35Å; S193-Q196 PolarHBondContact O-N 2.86Å; E194-Q196 PolarHBondContact O-N 2.84Å; Q196-K493 HydrophobicContact CB-CD 4.32Å; Q196-K493 WeakPolarHBondContact O-CD 3.35Å; Q196-K493 WeakPolarHBondContact O-CE 3.27Å; Q196-K493 PolarHBondContact O-NZ 3.03Å; Q196-K493 VanDerWaalsContact OE1-CE 3.29Å; Q196-N503 PolarHBondContact NE2-O 3.17Å; Q196-K506 PolarHBondContact NE2-O 2.78Å; Q196-K506 PolarHBondContact OE1-O 3.11Å; Q196-L508 HydrophobicContact CB-CD1 4.27Å; Q196-L508 HydrophobicContact CG-CD1 4.42Å; Q196-L508 HydrophobicContact CG-CG 4.33Å
197L97.8Very high97.6Very high11 Ų1116.1 Ų16.16%0.0589%0.093CC..SBendtrans-101.5-15.3-173.8-53.6-172.8000113.3V163 L189 F190 G195 M492 K493 F496V163-L197 VanDerWaalsContact CG1-O 3.3Å; V163-L197 WeakPolarHBondContact CG1-O 3.29Å; L189-L197 HydrophobicContact CB-CD1 3.98Å; L189-L197 VanDerWaalsContact O-CD1 3.24Å; L189-L197 WeakPolarHBondContact O-CD1 3.29Å; F190-L197 HydrophobicContact CD1-CB 4.17Å; F190-L197 HydrophobicContact CE1-CB 4.01Å; G195-L197 VanDerWaalsContact C-N 3.33Å; G195-L197 PolarHBondContact O-N 3.44Å; L197-M492 HydrophobicContact CD1-CG 4.06Å; L197-M492 HydrophobicContact CD2-CG 4.21Å; L197-K493 HydrophobicContact CD2-CB 4.45Å; L197-F496 HydrophobicContact CB-CB 4.31Å; L197-F496 HydrophobicContact CB-CD2 4.18Å; L197-F496 HydrophobicContact CB-CG 4.31Å; L197-F496 HydrophobicContact CD1-CD2 4.19Å; L197-F496 HydrophobicContact CD1-CE2 4.37Å; L197-F496 HydrophobicContact CD2-CD2 4.19Å; L197-F496 HydrophobicContact CG-CD2 4.42Å; L197-F496 WeakPolarHBondContact O-CB 3.21Å
198G98.2Very high97.7Very high2 Ų216.4 Ų16.42%0.02110%0.095CC..  trans167.1173.1-176.600000112.5I162I162-G198 CarbonylContact O-C 3.57Å; I162-G198 VanDerWaalsContact O-CA 3.22Å; I162-G198 WeakPolarHBondContact O-CA 3.37Å
199I98.7Very high97.8Very high1 Ų116.6 Ų16.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-100.5112.3176.6-57.8167.8000108I45 I49 I61 L81 T83 A161 I162 T201I45-I199 HydrophobicContact CD1-CG2 4.22Å; I45-I199 HydrophobicContact CG2-CB 4.21Å; I45-I199 HydrophobicContact CG2-CD1 3.7Å; I45-I199 HydrophobicContact CG2-CG2 4.13Å; I49-I199 HydrophobicContact CD1-CD1 3.68Å; I49-I199 HydrophobicContact CG1-CD1 3.9Å; I61-I199 HydrophobicContact CD1-CD1 4.42Å; I61-I199 HydrophobicContact CD1-CG1 3.5Å; I61-I199 HydrophobicContact CG1-CD1 4.3Å; I61-I199 HydrophobicContact CG1-CG1 3.8Å; I61-I199 HydrophobicContact CG2-CG1 4.38Å; I61-I199 HydrophobicContact CG2-CG2 4.36Å; L81-I199 HydrophobicContact CD1-CD1 3.7Å; L81-I199 HydrophobicContact CD2-CD1 4.05Å; L81-I199 HydrophobicContact CD2-CG2 4.26Å; L81-I199 HydrophobicContact CG-CD1 4.44Å; T83-I199 HydrophobicContact CG2-CG2 4.22Å; A161-I199 CarbonylContact C-O 3.58Å; A161-I199 VanDerWaalsContact CA-O 3.25Å; A161-I199 WeakPolarHBondContact CA-O 3.43Å; I162-I199 PolarHBondContact N-O 3.15Å; I162-I199 PolarHBondContact O-N 3.22Å; I199-T201 HydrophobicContact CG2-CG2 4.45Å; I199-T201 PolarHBondContact O-N 3.42Å
200I98.8Very high97.8Very high13 Ų1319.4 Ų19.47%0.06711%0.106CC..EExtended strand (participates in β ladder)trans-67.4126.3171.8-57.5169.9000108A103 V137 A138 L159 F190 L203A103-I200 HydrophobicContact CB-CG2 4.27Å; A103-I200 WeakPolarHBondContact CB-O 3.36Å; V137-I200 HydrophobicContact CB-CD1 3.94Å; V137-I200 HydrophobicContact CG1-CD1 3.69Å; A138-I200 HydrophobicContact CB-CD1 4.43Å; L159-I200 HydrophobicContact CB-CG2 4.49Å; F190-I200 HydrophobicContact CB-CD1 4.36Å; F190-I200 HydrophobicContact CB-CG1 4.43Å; I200-L203 HydrophobicContact CG2-CD2 4.29Å
201T98.8Very high97.6Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-112.7-34-178520000112.7S42 I45 L86 E102 A103 E160 I162 I199S42-T201 WeakPolarHBondContact OG-CB 3.46Å; I45-T201 HydrophobicContact CD1-CG2 3.55Å; I45-T201 HydrophobicContact CG2-CG2 4.43Å; L86-T201 HydrophobicContact CD2-CG2 4.11Å; E102-T201 WeakPolarHBondContact CA-O 3.49Å; A103-T201 PolarHBondContact N-O 3.48Å; E160-T201 WeakPolarHBondContact CB-OG1 3.48Å; E160-T201 WeakPolarHBondContact CG-OG1 3.31Å; E160-T201 PolarHBondContact O-N 2.87Å; E160-T201 PolarHBondContact O-OG1 2.99Å; E160-T201 PolarHBondContact OE1-OG1 3.41Å; I162-T201 HydrophobicContact CG1-CG2 3.77Å; I199-T201 HydrophobicContact CG2-CG2 4.45Å; I199-T201 PolarHBondContact O-N 3.42Å
202R98.7Very high97.4Very high63 Ų6324.5 Ų24.524%0.23814%0.138CC..EExtended strand (participates in β ladder)trans-143.7156.5176.6-59.5176178164.30.4110.1L90 C101 E102 L159 E160 L174L90-R202 HydrophobicContact CD1-CB 4.46Å; L90-R202 HydrophobicContact CD1-CG 4.07Å; C101-R202 CarbonylContact O-C 3.53Å; C101-R202 WeakPolarHBondContact O-CA 3.41Å; E102-R202 HydrophobicContact CG-CG 4.23Å; L159-R202 CarbonylContact C-O 3.51Å; L159-R202 WeakPolarHBondContact CA-O 3.42Å; L159-R202 WeakPolarHBondContact CB-O 3.29Å; E160-R202 HydrophobicContact CB-CB 3.92Å; E160-R202 HydrophobicContact CB-CG 4.48Å; E160-R202 PolarHBondContact N-O 3.38Å; E160-R202 IonicContact OE1-NE 4Å; E160-R202 IonicContact OE2-NH1 3.77Å; L174-R202 HydrophobicContact CD1-CB 4.19Å; L174-R202 HydrophobicContact CD2-CB 4.16Å
203L98.5Very high97.2Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-151.5161.3174.360.597.4000112.6E100 C101 I133 V137 M156 G158 L159 I200 I205E100-L203 WeakPolarHBondContact CA-O 3.42Å; C101-L203 PolarHBondContact N-O 2.88Å; C101-L203 PolarHBondContact O-N 2.97Å; I133-L203 HydrophobicContact CB-CD2 4.42Å; I133-L203 HydrophobicContact CG1-CD1 3.9Å; I133-L203 HydrophobicContact CG1-CD2 3.85Å; I133-L203 HydrophobicContact CG1-CG 4.4Å; I133-L203 HydrophobicContact CG2-CD2 3.96Å; V137-L203 HydrophobicContact CG2-CD2 3.76Å; M156-L203 HydrophobicContact CE-CB 3.87Å; M156-L203 HydrophobicContact CE-CD1 4.48Å; G158-L203 WeakPolarHBondContact O-CA 3.3Å; L159-L203 HydrophobicContact CB-CB 4.25Å; I200-L203 HydrophobicContact CG2-CD2 4.29Å; L203-I205 HydrophobicContact CD1-CB 4Å; L203-I205 HydrophobicContact CD1-CG2 4.01Å
204S98.3Very high97.1Very high0 Ų025.5 Ų25.50%013%0.129CC..EExtended strand (participates in β ladder)trans-123.1126.4173.946.90000108L99 L157 G158 S175L99-S204 CarbonylContact O-C 3.5Å; L99-S204 VanDerWaalsContact O-CA 3.3Å; L99-S204 WeakPolarHBondContact O-CA 3.36Å; L157-S204 PolarHBondContact N-O 3.2Å; G158-S204 WeakPolarHBondContact CA-OG 3.36Å; G158-S204 PolarHBondContact N-O 3.23Å; G158-S204 PolarHBondContact N-OG 2.98Å; G158-S204 PolarHBondContact O-N 3.29Å; G158-S204 PolarHBondContact O-OG 2.83Å; S175-S204 PolarHBondContact N-OG 3Å; S175-S204 VanDerWaalsContact O-CB 3.31Å; S175-S204 WeakPolarHBondContact O-CB 3.07Å; S175-S204 PolarHBondContact O-OG 2.88Å
205I98.1Very high96.9Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-136.4139.6-173.4-167.9171.3000110.5L99 M121 P122 F123 H155 M156 L203 T207L99-I205 HydrophobicContact CB-CG2 4.06Å; L99-I205 HydrophobicContact CD2-CG2 4.2Å; L99-I205 HydrophobicContact CG-CG2 4.43Å; L99-I205 PolarHBondContact N-O 3.14Å; L99-I205 PolarHBondContact O-N 2.71Å; M121-I205 HydrophobicContact CE-CD1 4.2Å; M121-I205 HydrophobicContact CE-CG2 4.21Å; P122-I205 HydrophobicContact CG-CD1 4.22Å; F123-I205 HydrophobicContact CE1-CD1 4.07Å; H155-I205 HydrophobicContact CB-CD1 4.25Å; H155-I205 HydrophobicContact CB-CG1 3.79Å; H155-I205 WeakPolarHBondContact O-CA 3.48Å; M156-I205 HydrophobicContact SD-CD1 4.26Å; M156-I205 HydrophobicContact SD-CG1 4.35Å; L203-I205 HydrophobicContact CD1-CB 4Å; L203-I205 HydrophobicContact CD1-CG2 4.01Å; I205-T207 PolarHBondContact O-N 3.36Å
206C97.7Very high96.7Very high13 Ų1324.6 Ų24.69%0.08812%0.124CC..EExtended strand (participates in β ladder)trans-73.6122.9168-72.90000110.1P122 H155P122-C206 WeakPolarHBondContact CG-O 3.48Å; H155-C206 HydrophobicContact CB-CB 4.44Å; H155-C206 PolarHBondContact ND1-O 3.45Å; H155-C206 PolarHBondContact O-N 3.47Å
207T98Very high96.4Very high4 Ų424.5 Ų24.53%0.02512%0.123CC..  trans-83.1171.316467.20000110F92 G97 L99 V114 Y119 M120 M121 I205F92-T207 HydrophobicContact CE2-CG2 4.11Å; G97-T207 PolarHBondContact O-N 3.42Å; G97-T207 PolarHBondContact O-OG1 3.29Å; L99-T207 HydrophobicContact CB-CG2 3.96Å; L99-T207 HydrophobicContact CD2-CG2 4.49Å; V114-T207 HydrophobicContact CB-CG2 4.48Å; V114-T207 HydrophobicContact CG1-CG2 4.15Å; V114-T207 HydrophobicContact CG2-CG2 4.38Å; Y119-T207 WeakPolarHBondContact CD1-OG1 3.14Å; M120-T207 WeakPolarHBondContact O-CB 3.48Å; M121-T207 HydrophobicContact SD-CG2 4.2Å; I205-T207 PolarHBondContact O-N 3.36Å
208V96.8Very high96.2Very high16 Ų1624 Ų2410%0.09712%0.121CC..EExtended strand (participates in β ladder)trans-118.4146.3177-64.80000109.9Y119 M120 P122 F149 R210Y119-V208 CarbonylContact C-O 3.59Å; Y119-V208 WeakPolarHBondContact CA-O 3.11Å; M120-V208 HydrophobicContact CG-CG2 3.53Å; M120-V208 PolarHBondContact N-O 2.89Å; M120-V208 PolarHBondContact O-N 3.24Å; M120-V208 HydrophobicContact SD-CG2 4.39Å; P122-V208 HydrophobicContact CB-CG1 4.01Å; P122-V208 HydrophobicContact CB-CG2 4.49Å; F149-V208 HydrophobicContact CD1-CB 4.07Å; F149-V208 HydrophobicContact CD1-CG1 3.79Å; F149-V208 HydrophobicContact CD1-CG2 3.89Å; F149-V208 HydrophobicContact CE1-CB 4.04Å; F149-V208 HydrophobicContact CE1-CG1 4.28Å; F149-V208 HydrophobicContact CE1-CG2 3.73Å; F149-V208 HydrophobicContact CE2-CG2 4.44Å; F149-V208 HydrophobicContact CG-CG1 4.39Å; F149-V208 HydrophobicContact CG-CG2 4.31Å; F149-V208 HydrophobicContact CZ-CG2 4.03Å; V208-R210 PolarHBondContact O-N 3.17Å
209P96.6Very high96Very high71 Ų7123.9 Ų23.946%0.46112%0.12SC..EExtended strand (participates in β ladder)trans-56.5136172.5-2333.7000109.9Y119 P211 F336Y119-P209 HydrophobicContact CE1-CG 4.25Å; P209-P211 VanDerWaalsContact O-CD 3.28Å; P209-P211 WeakPolarHBondContact O-CD 3.01Å; P209-F336 HydrophobicContact CB-CE1 4.2Å; P209-F336 HydrophobicContact CB-CZ 3.92Å
210R96Very high95.8Very high117 Ų11723.9 Ų23.944%0.44212%0.119SC..PPolyproline II helixtrans-74118.5-177.6-171.6179-178.6109.90.1109.5G118 M120 V208 F336G118-R210 WeakPolarHBondContact O-CB 3.37Å; G118-R210 PolarHBondContact O-N 2.89Å; M120-R210 HydrophobicContact CB-CB 4.4Å; M120-R210 HydrophobicContact CB-CG 4.39Å; M120-R210 HydrophobicContact CG-CB 4.44Å; M120-R210 HydrophobicContact SD-CG 4.38Å; V208-R210 PolarHBondContact O-N 3.17Å; R210-F336 WeakPolarHBondContact O-CE1 3.48Å
211P94.5Very high95.6Very high19 Ų1923.2 Ų23.212%0.12312%0.116CC..PPolyproline II helixtrans-58.2143.7173.6-23.536.4000111.1M120 F149 P209 M334 G335M120-P211 VanDerWaalsContact SD-CD 3.56Å; F149-P211 HydrophobicContact CZ-CG 4.42Å; P209-P211 VanDerWaalsContact O-CD 3.28Å; P209-P211 WeakPolarHBondContact O-CD 3.01Å; P211-M334 HydrophobicContact CB-CB 3.72Å; P211-M334 HydrophobicContact CB-CG 4.37Å; P211-M334 HydrophobicContact CB-SD 4.44Å; P211-M334 HydrophobicContact CG-CB 3.75Å; P211-M334 HydrophobicContact CG-CG 4.39Å; P211-M334 HydrophobicContact CG-SD 3.97Å; P211-G335 CarbonylContact C-O 3.59Å; P211-G335 VanDerWaalsContact CA-O 3.29Å; P211-G335 WeakPolarHBondContact CA-O 3.31Å; P211-G335 WeakPolarHBondContact CB-O 3.41Å
212V92.6Very high95.5Very high109 Ų10930.9 Ų30.966%0.66115%0.145SC*.SBendtrans-100.8-15.7178.7-51.10000112.3G335V212-G335 PolarHBondContact N-O 2.88Å
213T92.6Very high95.4Very high3 Ų330.8 Ų30.82%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-114.8146.6178.472.70000109.3M334 G335 Q338 D341T213-M334 WeakPolarHBondContact O-CA 3.28Å; T213-G335 PolarHBondContact N-O 3.23Å; T213-G335 PolarHBondContact O-N 3.17Å; T213-G335 WeakPolarHBondContact OG1-CA 3.32Å; T213-G335 PolarHBondContact OG1-N 3.3Å; T213-G335 PolarHBondContact OG1-O 2.79Å; T213-Q338 HydrophobicContact CG2-CB 3.85Å; T213-Q338 VanDerWaalsContact CG2-N 3.26Å; T213-D341 WeakPolarHBondContact CG2-OD2 3.12Å; T213-D341 PolarHBondContact OG1-OD2 3.04Å
214R93.7Very high95.3Very high66 Ų6632.3 Ų32.325%0.24916%0.158CC..EExtended strand (participates in β ladder)trans-149.4123.5175.6-176.4177.8176.2-109.65.5109.6E332 T333 M334 E367R214-E332 HydrophobicContact CG-CG 4.25Å; R214-E332 IonicContact CZ-OE2 2.89Å; R214-E332 IonicContact NE-OE2 3.37Å; R214-E332 PolarHBondContact NE-OE2 2.94Å; R214-E332 IonicContact NH2-OE2 3.7Å; R214-E332 PolarHBondContact NH2-OE2 2.91Å; R214-T333 VanDerWaalsContact CA-O 3.29Å; R214-T333 WeakPolarHBondContact CA-O 3.49Å; R214-M334 HydrophobicContact CG-CG 4.46Å; R214-E367 IonicContact NH1-OE1 3.8Å; R214-E367 IonicContact NH1-OE2 3.31Å; R214-E367 PolarHBondContact NH1-OE2 3.01Å
215N94Very high95.3Very high7 Ų735.2 Ų35.24%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-121141.8172.8-59.5-77.4000110.7E332 T333 D342 T345 F363N215-E332 CarbonylContact O-C 3.54Å; N215-E332 VanDerWaalsContact O-CA 3.31Å; N215-E332 WeakPolarHBondContact O-CA 3.38Å; N215-E332 WeakPolarHBondContact O-CG 3.35Å; N215-T333 WeakPolarHBondContact CB-OG1 3.48Å; N215-T333 PolarHBondContact N-O 3.12Å; N215-T333 PolarHBondContact O-N 3.44Å; N215-D342 PolarHBondContact ND2-OD1 2.93Å; N215-D342 PolarHBondContact OD1-OD1 3.23Å; N215-T345 HydrophobicContact CB-CG2 4.17Å; N215-F363 HydrophobicContact CB-CE2 3.81Å; N215-F363 HydrophobicContact CB-CZ 3.62Å; N215-F363 WeakPolarHBondContact OD1-CZ 3.28Å
216V94.2Very high95.3Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-128.9136.7-179.7176.10000109.5L330 I331 E332 A364 A370 I373V216-L330 HydrophobicContact CG1-CD2 4.42Å; V216-L330 HydrophobicContact CG1-CG 4.33Å; V216-I331 CarbonylContact C-O 3.55Å; V216-I331 WeakPolarHBondContact CA-O 3.45Å; V216-E332 HydrophobicContact CG2-CB 4.47Å; V216-E332 HydrophobicContact CG2-CG 3.9Å; V216-A364 HydrophobicContact CB-CB 4.35Å; V216-A364 WeakPolarHBondContact O-CB 3.45Å; V216-A364 PolarHBondContact O-N 3.13Å; V216-A370 HydrophobicContact CB-CB 3.88Å; V216-A370 HydrophobicContact CG2-CB 3.74Å; V216-I373 HydrophobicContact CG1-CB 3.88Å; V216-I373 HydrophobicContact CG1-CD1 4.12Å; V216-I373 HydrophobicContact CG1-CG2 3.63Å
217A92.3Very high95.3Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-133.1150.5177.100000111L219 L330 I331 M349 V362 F363A217-L219 HydrophobicContact CB-CD1 4.35Å; A217-L330 CarbonylContact O-C 3.55Å; A217-L330 VanDerWaalsContact O-CA 3.28Å; A217-L330 WeakPolarHBondContact O-CA 3.45Å; A217-I331 HydrophobicContact CB-CB 4.29Å; A217-I331 PolarHBondContact N-O 3.08Å; A217-I331 PolarHBondContact O-N 2.64Å; A217-M349 HydrophobicContact CB-CE 3.4Å; A217-M349 HydrophobicContact CB-CG 4.25Å; A217-M349 HydrophobicContact CB-SD 3.17Å; A217-M349 WeakPolarHBondContact CB-SD 3.37Å; A217-V362 VanDerWaalsContact CA-O 3.29Å; A217-V362 WeakPolarHBondContact CA-O 3.47Å; A217-F363 HydrophobicContact CB-CD2 4.18Å
218L93.3Very high95.3Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-124.8132.7166.8-172.770.6000108.3M248 P320 I321 M329 L330 G361 V362 I373 L376L218-M248 HydrophobicContact CD1-CE 3.5Å; L218-M248 VanDerWaalsContact CD1-CE 3.5Å; L218-P320 HydrophobicContact CD2-CG 3.62Å; L218-I321 HydrophobicContact CD2-CG1 3.96Å; L218-I321 HydrophobicContact CG-CD1 4.45Å; L218-I321 HydrophobicContact CG-CG1 4.11Å; L218-I321 WeakPolarHBondContact O-CD1 3.41Å; L218-M329 CarbonylContact C-O 3.52Å; L218-M329 WeakPolarHBondContact CA-O 3.48Å; L218-L330 HydrophobicContact CD1-CB 3.9Å; L218-G361 CarbonylContact O-C 3.45Å; L218-G361 VanDerWaalsContact O-CA 3.25Å; L218-G361 WeakPolarHBondContact O-CA 3.49Å; L218-V362 HydrophobicContact CB-CG2 3.79Å; L218-V362 PolarHBondContact N-O 3.12Å; L218-V362 PolarHBondContact O-N 3.29Å; L218-I373 HydrophobicContact CB-CG2 3.99Å; L218-L376 HydrophobicContact CD2-CD1 3.91Å
219L93.3Very high95.3Very high0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-128.3134.7-178.1-64.3122.6000110.2A217 L230 Y328 M329 I331 M349 L353 A358 D360A217-L219 HydrophobicContact CB-CD1 4.35Å; L219-L230 HydrophobicContact CB-CD1 3.9Å; L219-L230 HydrophobicContact CD1-CD1 4.12Å; L219-L230 HydrophobicContact CD2-CD1 4.44Å; L219-L230 HydrophobicContact CG-CD1 4.36Å; L219-Y328 CarbonylContact O-C 3.55Å; L219-Y328 WeakPolarHBondContact O-CA 3.48Å; L219-M329 HydrophobicContact CB-CB 4.47Å; L219-M329 PolarHBondContact N-O 2.81Å; L219-M329 PolarHBondContact O-N 2.97Å; L219-I331 HydrophobicContact CD1-CG1 3.66Å; L219-M349 HydrophobicContact CD1-CE 4.27Å; L219-M349 HydrophobicContact CD1-CG 4.37Å; L219-M349 HydrophobicContact CD2-CE 4.04Å; L219-M349 HydrophobicContact CG-CE 4.13Å; L219-L353 HydrophobicContact CD2-CG 4.5Å; L219-A358 HydrophobicContact CB-CB 4.03Å; L219-A358 HydrophobicContact CD2-CB 3.65Å; L219-A358 HydrophobicContact CG-CB 4.48Å; L219-D360 WeakPolarHBondContact CA-O 3.48Å
220G94Very high95.4Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-91.5131.4174.700000111.8A358 A359 D360G220-A358 CarbonylContact O-C 3.54Å; G220-A358 WeakPolarHBondContact O-CA 3.36Å; G220-A359 PolarHBondContact O-N 2.74Å; G220-D360 PolarHBondContact N-O 3.38Å
221C96Very high95.5Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-118.3140.9-178.7-61.40000111D226 C227 P326 F327 H357C221-D226 HydrophobicContact CB-CB 4.16Å; C221-C227 WeakPolarHBondContact CB-SG 3.02Å; C221-P326 WeakPolarHBondContact O-CD 3.33Å; C221-F327 HydrophobicContact CB-CB 4.1Å; C221-F327 PolarHBondContact N-O 2.86Å; C221-F327 PolarHBondContact O-N 2.81Å; C221-H357 PolarHBondContact SG-O 2.99Å; C221-H357 VanDerWaalsContact SG-O 3.38Å
222R95.4Very high95.6Very high160 Ų16036.1 Ų36.160%0.60419%0.188SC*.SBendtrans-82.5-29.5-178-68.8179.6-180171.80.8113P326 A359R222-P326 WeakPolarHBondContact O-CG 3.42Å; R222-A359 HydrophobicContact CG-CB 4.11Å
223T96.8Very high95.8Very high62 Ų6231.4 Ų31.438%0.3816%0.159SC..SBendtrans-135161.7178730000111.2A225 D226 C227 F327T223-A225 PolarHBondContact O-N 3.1Å; T223-A225 PolarHBondContact OG1-N 3.37Å; T223-D226 WeakPolarHBondContact CB-OD2 3.31Å; T223-D226 PolarHBondContact N-OD2 2.95Å; T223-D226 WeakPolarHBondContact O-CB 3.4Å; T223-D226 PolarHBondContact O-N 3.11Å; T223-D226 PolarHBondContact OG1-N 2.71Å; T223-D226 VanDerWaalsContact OG1-N 3.12Å; T223-D226 PolarHBondContact OG1-OD1 3.1Å; T223-D226 PolarHBondContact OG1-OD2 2.89Å; T223-C227 PolarHBondContact O-N 3.46Å; T223-C227 PolarHBondContact O-SG 3.23Å; T223-C227 VanDerWaalsContact O-SG 3.4Å; T223-F327 VanDerWaalsContact C-CD2 3.41Å
224F97.6Very high96Very high32 Ų3231.3 Ų31.314%0.1416%0.158CC..Hα-helixtrans-67.6-28.4173.1-173.4-108.1000112D226 C227 L228 F247 F327 M399 Y402 Y403 L426F224-D226 VanDerWaalsContact C-N 3.29Å; F224-D226 PolarHBondContact O-N 3.48Å; F224-C227 HydrophobicContact CD2-CB 4.25Å; F224-C227 HydrophobicContact CE2-CB 4.46Å; F224-C227 VanDerWaalsContact O-CB 3.31Å; F224-C227 WeakPolarHBondContact O-CB 3.35Å; F224-C227 PolarHBondContact O-N 2.89Å; F224-L228 HydrophobicContact CD1-CD1 4.33Å; F224-L228 HydrophobicContact CD1-CG 4.38Å; F224-L228 HydrophobicContact CE1-CD1 3.88Å; F224-L228 HydrophobicContact CE1-CD2 4.02Å; F224-L228 HydrophobicContact CE1-CG 3.91Å; F224-L228 HydrophobicContact CZ-CD2 3.88Å; F224-L228 HydrophobicContact CZ-CG 4.18Å; F224-L228 PolarHBondContact O-N 3.41Å; F224-L228 VanDerWaalsContact O-N 3.15Å; F224-F247 HydrophobicContact CD2-CD2 4.5Å; F224-F247 AromaticContact CD2-CE2 3.83Å; F224-F247 HydrophobicContact CD2-CE2 3.83Å; F224-F247 HydrophobicContact CD2-CZ 4.31Å; F224-F247 HydrophobicContact CE2-CD2 4.26Å; F224-F247 AromaticContact CE2-CE2 3.97Å; F224-F247 HydrophobicContact CE2-CE2 3.97Å; F224-F247 HydrophobicContact CE2-CZ 4.43Å; F224-F327 HydrophobicContact CB-CE2 4.15Å; F224-F327 HydrophobicContact CB-CZ 4.17Å; F224-F327 VanDerWaalsContact N-CE2 3.3Å; F224-M399 WeakPolarHBondContact CE1-O 3.46Å; F224-Y402 AromaticContact CE2-CD1 3.87Å; F224-Y402 HydrophobicContact CE2-CD1 3.87Å; F224-Y402 AromaticContact CZ-CD1 3.71Å; F224-Y402 HydrophobicContact CZ-CD1 3.71Å; F224-Y402 HydrophobicContact CZ-CG 4.01Å; F224-Y403 HydrophobicContact CD2-CG 4.21Å; F224-Y403 HydrophobicContact CG-CG 4.48Å; F224-L426 HydrophobicContact CE2-CD1 4.1Å; F224-L426 HydrophobicContact CZ-CD1 3.88Å
225A97.7Very high96.2Very high60 Ų6033.5 Ų33.550%0.49617%0.167SC..Hα-helixtrans-64.1-35.6173.400000112.1T223 C227 L228 S229T223-A225 PolarHBondContact O-N 3.1Å; T223-A225 PolarHBondContact OG1-N 3.37Å; A225-C227 VanDerWaalsContact C-N 3.33Å; A225-L228 PolarHBondContact O-N 3.13Å; A225-S229 PolarHBondContact O-N 3.37Å; A225-S229 PolarHBondContact O-OG 3.14Å
226D97.6Very high96.3Very high35 Ų3538.9 Ų38.919%0.18719%0.194CC..Hα-helixtrans-64.6-39.7173.5-56.1-35.3000110.9C221 T223 F224 L228 S229 L230 H357C221-D226 HydrophobicContact CB-CB 4.16Å; T223-D226 WeakPolarHBondContact CB-OD2 3.31Å; T223-D226 PolarHBondContact N-OD2 2.95Å; T223-D226 WeakPolarHBondContact O-CB 3.4Å; T223-D226 PolarHBondContact O-N 3.11Å; T223-D226 PolarHBondContact OG1-N 2.71Å; T223-D226 VanDerWaalsContact OG1-N 3.12Å; T223-D226 PolarHBondContact OG1-OD1 3.1Å; T223-D226 PolarHBondContact OG1-OD2 2.89Å; F224-D226 VanDerWaalsContact C-N 3.29Å; F224-D226 PolarHBondContact O-N 3.48Å; D226-L228 VanDerWaalsContact C-N 3.32Å; D226-L228 PolarHBondContact O-N 3Å; D226-S229 PolarHBondContact O-N 3.41Å; D226-L230 WeakPolarHBondContact O-CB 3.38Å; D226-L230 PolarHBondContact O-N 2.83Å; D226-H357 WeakPolarHBondContact CB-O 3.29Å
227C98.1Very high96.3Very high0 Ų044.6 Ų44.60%022%0.216CC..Hα-helixtrans-59.1-42.8175.5-57.60000111.8C221 T223 F224 A225 L231 F327 M329 L426C221-C227 WeakPolarHBondContact CB-SG 3.02Å; T223-C227 PolarHBondContact O-N 3.46Å; T223-C227 PolarHBondContact O-SG 3.23Å; T223-C227 VanDerWaalsContact O-SG 3.4Å; F224-C227 HydrophobicContact CD2-CB 4.25Å; F224-C227 HydrophobicContact CE2-CB 4.46Å; F224-C227 VanDerWaalsContact O-CB 3.31Å; F224-C227 WeakPolarHBondContact O-CB 3.35Å; F224-C227 PolarHBondContact O-N 2.89Å; A225-C227 VanDerWaalsContact C-N 3.33Å; C227-L231 WeakPolarHBondContact O-CB 3.25Å; C227-L231 PolarHBondContact O-N 3.24Å; C227-F327 VanDerWaalsContact SG-CB 3.52Å; C227-M329 HydrophobicContact CB-CG 4.29Å; C227-M329 HydrophobicContact CB-SD 3.88Å; C227-L426 HydrophobicContact CB-CD2 4.17Å
228L98.1Very high96.5Very high47 Ų4744.9 Ų44.925%0.24622%0.218CC..Hα-helixtrans-68.6-37.5177.2-64.4-176.6000112.3F224 A225 D226 L231 H232 M399 L426F224-L228 HydrophobicContact CD1-CD1 4.33Å; F224-L228 HydrophobicContact CD1-CG 4.38Å; F224-L228 HydrophobicContact CE1-CD1 3.88Å; F224-L228 HydrophobicContact CE1-CD2 4.02Å; F224-L228 HydrophobicContact CE1-CG 3.91Å; F224-L228 HydrophobicContact CZ-CD2 3.88Å; F224-L228 HydrophobicContact CZ-CG 4.18Å; F224-L228 PolarHBondContact O-N 3.41Å; F224-L228 VanDerWaalsContact O-N 3.15Å; A225-L228 PolarHBondContact O-N 3.13Å; D226-L228 VanDerWaalsContact C-N 3.32Å; D226-L228 PolarHBondContact O-N 3Å; L228-L231 PolarHBondContact O-N 2.87Å; L228-H232 WeakPolarHBondContact O-CB 3.08Å; L228-H232 PolarHBondContact O-N 3.08Å; L228-M399 HydrophobicContact CD2-CB 4.07Å; L228-L426 HydrophobicContact CD2-CD1 4.23Å; L228-L426 HydrophobicContact CD2-CD2 4.41Å
229S98.1Very high96.6Very high44 Ų4446.5 Ų46.531%0.30823%0.234SC..Hα-helixtrans-67.4-40.9176.5-54.70000111.2A225 D226 H232 L233 H357A225-S229 PolarHBondContact O-N 3.37Å; A225-S229 PolarHBondContact O-OG 3.14Å; D226-S229 PolarHBondContact O-N 3.41Å; S229-H232 WeakPolarHBondContact O-CB 3.17Å; S229-H232 PolarHBondContact O-N 2.81Å; S229-L233 PolarHBondContact O-N 2.94Å; S229-H357 WeakPolarHBondContact CB-ND1 3.49Å
230L97.7Very high96.6Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-60.2-49.9172-174.6156.1000111.2L219 D226 H232 L233 M234 M329 I331 C352 H357 A358L219-L230 HydrophobicContact CB-CD1 3.9Å; L219-L230 HydrophobicContact CD1-CD1 4.12Å; L219-L230 HydrophobicContact CD2-CD1 4.44Å; L219-L230 HydrophobicContact CG-CD1 4.36Å; D226-L230 WeakPolarHBondContact O-CB 3.38Å; D226-L230 PolarHBondContact O-N 2.83Å; L230-H232 VanDerWaalsContact C-N 3.28Å; L230-H232 PolarHBondContact O-N 2.99Å; L230-L233 PolarHBondContact O-N 2.95Å; L230-M234 HydrophobicContact CD2-CG 3.79Å; L230-M234 HydrophobicContact CG-CG 4.48Å; L230-M234 WeakPolarHBondContact O-CB 3.42Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.42Å; L230-M234 PolarHBondContact O-N 2.85Å; L230-M329 HydrophobicContact CD1-CB 4.26Å; L230-M329 HydrophobicContact CD1-CG 4.31Å; L230-M329 HydrophobicContact CD2-CB 4.14Å; L230-M329 HydrophobicContact CD2-CE 4.42Å; L230-M329 HydrophobicContact CD2-CG 4.3Å; L230-I331 HydrophobicContact CD2-CD1 3.68Å; L230-I331 HydrophobicContact CD2-CG1 4.15Å; L230-C352 HydrophobicContact CG-CB 4.49Å; L230-H357 HydrophobicContact CB-CB 4.25Å; L230-A358 HydrophobicContact CD1-CB 4.18Å
231L97.5Very high96.6Very high10 Ų1051.6 Ų51.65%0.05227%0.266CS..Hα-helixtrans-56.1-44.4175.8170.563.8000111.4C227 L228 R235 V245 L426C227-L231 WeakPolarHBondContact O-CB 3.25Å; C227-L231 PolarHBondContact O-N 3.24Å; L228-L231 PolarHBondContact O-N 2.87Å; L231-R235 HydrophobicContact CD1-CG 4.09Å; L231-R235 WeakPolarHBondContact O-CB 3.18Å; L231-R235 WeakPolarHBondContact O-CG 3.34Å; L231-R235 PolarHBondContact O-N 2.91Å; L231-V245 HydrophobicContact CD1-CB 3.97Å; L231-V245 HydrophobicContact CD1-CG1 3.72Å; L231-V245 HydrophobicContact CD1-CG2 3.94Å; L231-L426 HydrophobicContact CD2-CG 4.18Å
232H97.4Very high96.7Very high124 Ų12452 Ų5257%0.57427%0.268SS*.Hα-helixtrans-60.2-49.7177.5178.170.2000111.6L228 S229 L230 R235 I236L228-H232 WeakPolarHBondContact O-CB 3.08Å; L228-H232 PolarHBondContact O-N 3.08Å; S229-H232 WeakPolarHBondContact O-CB 3.17Å; S229-H232 PolarHBondContact O-N 2.81Å; L230-H232 VanDerWaalsContact C-N 3.28Å; L230-H232 PolarHBondContact O-N 2.99Å; H232-R235 PolarHBondContact O-N 3.17Å; H232-I236 WeakPolarHBondContact O-CG1 3.31Å; H232-I236 PolarHBondContact O-N 3.48Å; H232-I236 VanDerWaalsContact O-N 3.13Å
233L97.5Very high96.7Very high10 Ų1044.3 Ų44.35%0.05224%0.239CC..Hα-helixtrans-60.6-48.2178.9-167.5153.2000111.4S229 L230 R235 I236 R237 A348 Q351 E355S229-L233 PolarHBondContact O-N 2.94Å; L230-L233 PolarHBondContact O-N 2.95Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 2.91Å; L233-I236 PolarHBondContact O-N 2.8Å; L233-R237 HydrophobicContact CD2-CB 4.29Å; L233-R237 HydrophobicContact CD2-CG 3.64Å; L233-R237 HydrophobicContact CG-CG 4.15Å; L233-R237 WeakPolarHBondContact O-CB 3.41Å; L233-R237 WeakPolarHBondContact O-CG 3.31Å; L233-R237 PolarHBondContact O-N 3.14Å; L233-A348 HydrophobicContact CD2-CB 4.47Å; L233-Q351 HydrophobicContact CD1-CB 4.38Å; L233-Q351 HydrophobicContact CD1-CG 3.95Å; L233-Q351 HydrophobicContact CD2-CB 4.36Å; L233-E355 VanDerWaalsContact CD1-OE2 3.29Å; L233-E355 WeakPolarHBondContact CD1-OE2 3.34Å
234M96.7Very high96.7Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-56.9-45.9177.9-70.8-58.2118.600111.6L230 I236 R237 L238 L242 I331 A348 C352L230-M234 HydrophobicContact CD2-CG 3.79Å; L230-M234 HydrophobicContact CG-CG 4.48Å; L230-M234 WeakPolarHBondContact O-CB 3.42Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.42Å; L230-M234 PolarHBondContact O-N 2.85Å; M234-I236 VanDerWaalsContact C-N 3.32Å; M234-I236 PolarHBondContact O-N 3.21Å; M234-R237 PolarHBondContact O-N 3.29Å; M234-L238 HydrophobicContact CB-CD1 4.29Å; M234-L238 HydrophobicContact CG-CD1 4.49Å; M234-L238 VanDerWaalsContact O-CB 3.25Å; M234-L238 WeakPolarHBondContact O-CB 3.33Å; M234-L238 PolarHBondContact O-N 3.01Å; M234-L238 HydrophobicContact SD-CD1 3.51Å; M234-L238 VanDerWaalsContact SD-CD1 3.51Å; M234-L238 HydrophobicContact SD-CG 4.37Å; M234-L242 HydrophobicContact CB-CD1 4.33Å; M234-L242 HydrophobicContact CB-CD2 4.25Å; M234-I331 HydrophobicContact CG-CD1 4.1Å; M234-I331 HydrophobicContact CG-CG1 4.31Å; M234-I331 HydrophobicContact CG-CG2 4.35Å; M234-I331 HydrophobicContact SD-CG2 4.1Å; M234-A348 HydrophobicContact CE-CB 3.89Å; M234-A348 WeakPolarHBondContact CE-O 3.42Å; M234-A348 HydrophobicContact SD-CB 4.15Å; M234-C352 HydrophobicContact CE-CB 4.15Å; M234-C352 WeakPolarHBondContact CE-SG 3.3Å
235R96.4Very high96.7Very high113 Ų11340 Ų4043%0.42622%0.216SC..Hα-helixtrans-59.2-42177.8-80177.6169.1-87.95.9112.4L231 H232 L233 G239 L242 G427L231-R235 HydrophobicContact CD1-CG 4.09Å; L231-R235 WeakPolarHBondContact O-CB 3.18Å; L231-R235 WeakPolarHBondContact O-CG 3.34Å; L231-R235 PolarHBondContact O-N 2.91Å; H232-R235 PolarHBondContact O-N 3.17Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 2.91Å; R235-G239 VanDerWaalsContact O-CA 3.28Å; R235-G239 WeakPolarHBondContact O-CA 3.36Å; R235-G239 PolarHBondContact O-N 3.05Å; R235-G239 VanDerWaalsContact O-N 3.12Å; R235-L242 HydrophobicContact CG-CD2 3.9Å; R235-G427 PolarHBondContact NH2-O 3.06Å
236I96.3Very high96.6Very high120 Ų12037.2 Ų37.262%0.61519%0.192SC*.Hα-helixtrans-75.3-40.6-178.3-63.6-60.7000112H232 L233 M234H232-I236 WeakPolarHBondContact O-CG1 3.31Å; H232-I236 PolarHBondContact O-N 3.48Å; H232-I236 VanDerWaalsContact O-N 3.13Å; L233-I236 PolarHBondContact O-N 2.8Å; M234-I236 VanDerWaalsContact C-N 3.32Å; M234-I236 PolarHBondContact O-N 3.21Å
237R95.8Very high96.6Very high119 Ų11935.5 Ų35.545%0.44918%0.183SC..Hα-helixtrans-83.3-34.1-173.4-64.4-63.8-71.5-126.5-11.6113.6L233 M234 A348L233-R237 HydrophobicContact CD2-CB 4.29Å; L233-R237 HydrophobicContact CD2-CG 3.64Å; L233-R237 HydrophobicContact CG-CG 4.15Å; L233-R237 WeakPolarHBondContact O-CB 3.41Å; L233-R237 WeakPolarHBondContact O-CG 3.31Å; L233-R237 PolarHBondContact O-N 3.14Å; M234-R237 PolarHBondContact O-N 3.29Å; R237-A348 HydrophobicContact CB-CB 3.84Å
238L96.4Very high96.6Very high7 Ų735.5 Ų35.54%0.03718%0.183CC..Hα-helixtrans-97.5-29.8-178-55.4175.3000111.5M234 P240 L241 L242 I331 T333 T344 A348M234-L238 HydrophobicContact CB-CD1 4.29Å; M234-L238 HydrophobicContact CG-CD1 4.49Å; M234-L238 VanDerWaalsContact O-CB 3.25Å; M234-L238 WeakPolarHBondContact O-CB 3.33Å; M234-L238 PolarHBondContact O-N 3.01Å; M234-L238 HydrophobicContact SD-CD1 3.51Å; M234-L238 VanDerWaalsContact SD-CD1 3.51Å; M234-L238 HydrophobicContact SD-CG 4.37Å; L238-P240 WeakPolarHBondContact O-CD 3.47Å; L238-P240 VanDerWaalsContact O-N 3.14Å; L238-L241 HydrophobicContact CB-CB 4.43Å; L238-L241 HydrophobicContact CD2-CD2 4.44Å; L238-L241 VanDerWaalsContact O-CB 3.23Å; L238-L241 WeakPolarHBondContact O-CB 3.39Å; L238-L241 PolarHBondContact O-N 3.28Å; L238-L242 HydrophobicContact CB-CB 4.08Å; L238-L242 HydrophobicContact CD1-CD1 3.89Å; L238-I331 HydrophobicContact CD1-CG2 4.26Å; L238-T333 HydrophobicContact CD1-CG2 3.71Å; L238-T333 HydrophobicContact CD2-CG2 4.4Å; L238-T333 HydrophobicContact CG-CG2 4.42Å; L238-T344 HydrophobicContact CD2-CG2 4.09Å; L238-A348 HydrophobicContact CD1-CB 4.39Å; L238-A348 HydrophobicContact CD2-CB 3.68Å; L238-A348 HydrophobicContact CG-CB 3.99Å
239G94.1Very high96.6Very high34 Ų3433.3 Ų33.335%0.35117%0.172SC..G310 helixtrans51.3-119.1177.100000111.5R235 L241 L242R235-G239 VanDerWaalsContact O-CA 3.28Å; R235-G239 WeakPolarHBondContact O-CA 3.36Å; R235-G239 PolarHBondContact O-N 3.05Å; R235-G239 VanDerWaalsContact O-N 3.12Å; G239-L241 PolarHBondContact O-N 3.33Å; G239-L242 WeakPolarHBondContact O-CB 3.25Å; G239-L242 PolarHBondContact O-N 2.9Å
240P92.6Very high96.5Very high93 Ų9333 Ų3360%0.60417%0.166SC*.G310 helixtrans-63-28.3178.627.2-33.7000112.7R148 L238 L242R148-P240 WeakPolarHBondContact CD-O 3.37Å; R148-P240 PolarHBondContact NE-O 3.43Å; R148-P240 VanDerWaalsContact NH1-CA 3.3Å; R148-P240 PolarHBondContact NH1-O 2.7Å; R148-P240 PolarHBondContact NH2-O 2.94Å; L238-P240 WeakPolarHBondContact O-CD 3.47Å; L238-P240 VanDerWaalsContact O-N 3.14Å; P240-L242 PolarHBondContact O-N 2.63Å
241L95.7Very high96.3Very high14 Ų1434.8 Ų34.87%0.07318%0.175CC..G310 helixtrans-64-25.4-176.4-178.159.4000112.4L238 G239 S243 T333 M334 D341 T344L238-L241 HydrophobicContact CB-CB 4.43Å; L238-L241 HydrophobicContact CD2-CD2 4.44Å; L238-L241 VanDerWaalsContact O-CB 3.23Å; L238-L241 WeakPolarHBondContact O-CB 3.39Å; L238-L241 PolarHBondContact O-N 3.28Å; G239-L241 PolarHBondContact O-N 3.33Å; L241-S243 PolarHBondContact O-N 3.49Å; L241-T333 HydrophobicContact CD2-CG2 4.25Å; L241-T333 HydrophobicContact CG-CG2 3.78Å; L241-T333 CarbonylContact O-C 3.48Å; L241-T333 WeakPolarHBondContact O-CA 3.26Å; L241-T333 VanDerWaalsContact O-CB 3.27Å; L241-T333 WeakPolarHBondContact O-CB 3.23Å; L241-M334 PolarHBondContact O-N 3.38Å; L241-D341 HydrophobicContact CD1-CB 3.99Å; L241-D341 HydrophobicContact CD2-CB 4.07Å; L241-T344 HydrophobicContact CD2-CG2 4.4Å
242L97.1Very high96.2Very high7 Ų734.3 Ų34.34%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-66.7115.6-179.7-167.961.7000112L147 R148 M234 R235 L238 G239 P240 V245 I331L147-L242 HydrophobicContact CD2-CD2 3.87Å; L147-L242 HydrophobicContact CD2-CG 3.83Å; R148-L242 WeakPolarHBondContact CB-O 3.25Å; M234-L242 HydrophobicContact CB-CD1 4.33Å; M234-L242 HydrophobicContact CB-CD2 4.25Å; R235-L242 HydrophobicContact CG-CD2 3.9Å; L238-L242 HydrophobicContact CB-CB 4.08Å; L238-L242 HydrophobicContact CD1-CD1 3.89Å; G239-L242 WeakPolarHBondContact O-CB 3.25Å; G239-L242 PolarHBondContact O-N 2.9Å; P240-L242 PolarHBondContact O-N 2.63Å; L242-V245 HydrophobicContact CD1-CG2 3.66Å; L242-V245 HydrophobicContact CD2-CG2 3.78Å; L242-V245 HydrophobicContact CG-CG2 3.92Å; L242-I331 HydrophobicContact CD1-CG2 3.7Å
243S96.1Very high95.9Very high0 Ų028.7 Ų28.70%015%0.147CC..EExtended strand (participates in β ladder)trans-100.9-38.5-179.756.50000114.2L241 E332 T333L241-S243 PolarHBondContact O-N 3.49Å; S243-E332 WeakPolarHBondContact CB-OE1 3.34Å; S243-E332 PolarHBondContact N-O 3.06Å; S243-E332 VanDerWaalsContact OG-CB 3.31Å; S243-E332 WeakPolarHBondContact OG-CB 3.3Å; S243-E332 WeakPolarHBondContact OG-CG 3.48Å; S243-E332 PolarHBondContact OG-O 3.15Å; S243-E332 VanDerWaalsContact OG-O 3.12Å; S243-E332 PolarHBondContact OG-OE1 3.03Å; S243-T333 WeakPolarHBondContact OG-CA 3.47Å; S243-T333 PolarHBondContact OG-N 2.88Å
244S96.1Very high95.6Very high1 Ų131 Ų311%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-145.6146.9178.4-560000111.8L144 H145 E332L144-S244 PolarHBondContact O-OG 3.3Å; H145-S244 PolarHBondContact CD2-OG 2.89Å; S244-E332 PolarHBondContact N-O 3.3Å; S244-E332 PolarHBondContact O-N 2.85Å
245V96.9Very high95.5Very high2 Ų231 Ų311%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-136.794168.2-179.50000108.4L147 L231 L242 M329 L330 I331 L426 G427L147-V245 HydrophobicContact CD2-CB 4.12Å; L147-V245 HydrophobicContact CD2-CG2 3.68Å; L231-V245 HydrophobicContact CD1-CB 3.97Å; L231-V245 HydrophobicContact CD1-CG1 3.72Å; L231-V245 HydrophobicContact CD1-CG2 3.94Å; L242-V245 HydrophobicContact CD1-CG2 3.66Å; L242-V245 HydrophobicContact CD2-CG2 3.78Å; L242-V245 HydrophobicContact CG-CG2 3.92Å; V245-M329 HydrophobicContact CG1-CE 3.23Å; V245-L330 WeakPolarHBondContact CA-O 3.46Å; V245-I331 HydrophobicContact CB-CD1 4.12Å; V245-I331 HydrophobicContact CG1-CD1 3.61Å; V245-I331 HydrophobicContact CG2-CD1 3.82Å; V245-L426 PolarHBondContact O-N 3.36Å; V245-L426 VanDerWaalsContact O-N 3.17Å; V245-G427 PolarHBondContact O-N 3.08Å; V245-G427 VanDerWaalsContact O-N 3.13Å
246E97.1Very high95.3Very high1 Ų125.9 Ų25.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-98.4140.1-177.3-59.6-64.5126.300110.6M329 L330 W374 R377 G424 H425E246-M329 CarbonylContact O-C 3.56Å; E246-M329 WeakPolarHBondContact O-CA 3.42Å; E246-L330 HydrophobicContact CB-CB 4.14Å; E246-L330 HydrophobicContact CG-CD2 4.4Å; E246-L330 PolarHBondContact N-O 2.84Å; E246-L330 PolarHBondContact O-N 2.87Å; E246-W374 HydrophobicContact CG-CH2 3.73Å; E246-W374 HydrophobicContact CG-CZ3 3.96Å; E246-R377 HydrophobicContact CB-CG 4.26Å; E246-R377 HydrophobicContact CG-CG 4.27Å; E246-R377 IonicContact OE2-CZ 3.36Å; E246-R377 VanDerWaalsContact OE2-CZ 3.24Å; E246-R377 IonicContact OE2-NE 3.67Å; E246-R377 PolarHBondContact OE2-NE 2.98Å; E246-R377 IonicContact OE2-NH2 3.79Å; E246-R377 PolarHBondContact OE2-NH2 3.35Å; E246-G424 CarbonylContact C-O 3.55Å; E246-G424 WeakPolarHBondContact CA-O 3.4Å; E246-H425 IonicContact OE1-CE1 3.71Å; E246-H425 IonicContact OE1-CG 3.17Å; E246-H425 IonicContact OE1-ND1 3.61Å; E246-H425 PolarHBondContact OE1-ND1 2.72Å; E246-H425 IonicContact OE2-CE1 3.49Å; E246-H425 PolarHBondContact OE2-CE1 3.29Å; E246-H425 IonicContact OE2-CG 2.7Å; E246-H425 IonicContact OE2-ND1 3.63Å; E246-H425 PolarHBondContact OE2-ND1 3.48Å
247F97.7Very high94.8Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-110.8143.8177.1166.9-87.5000110.4F224 D249 F327 M329 Y402 Y403 A422 F423 G424 L426F224-F247 HydrophobicContact CD2-CD2 4.5Å; F224-F247 AromaticContact CD2-CE2 3.83Å; F224-F247 HydrophobicContact CD2-CE2 3.83Å; F224-F247 HydrophobicContact CD2-CZ 4.31Å; F224-F247 HydrophobicContact CE2-CD2 4.26Å; F224-F247 AromaticContact CE2-CE2 3.97Å; F224-F247 HydrophobicContact CE2-CE2 3.97Å; F224-F247 HydrophobicContact CE2-CZ 4.43Å; F247-D249 HydrophobicContact CE1-CB 4.34Å; F247-D249 HydrophobicContact CZ-CB 4.21Å; F247-F327 HydrophobicContact CE2-CB 4Å; F247-F327 AromaticContact CE2-CD1 3.4Å; F247-F327 HydrophobicContact CE2-CD1 3.4Å; F247-F327 VanDerWaalsContact CE2-CD1 3.4Å; F247-F327 HydrophobicContact CE2-CE1 4.17Å; F247-F327 AromaticContact CE2-CG 3.96Å; F247-F327 HydrophobicContact CE2-CG 3.96Å; F247-F327 AromaticContact CZ-CD1 3.39Å; F247-F327 HydrophobicContact CZ-CD1 3.39Å; F247-F327 AromaticContact CZ-CE1 3.85Å; F247-F327 HydrophobicContact CZ-CE1 3.85Å; F247-F327 HydrophobicContact CZ-CG 4.38Å; F247-M329 HydrophobicContact CB-SD 3.99Å; F247-M329 HydrophobicContact CD2-SD 3.83Å; F247-M329 HydrophobicContact CG-SD 4.42Å; F247-Y402 AromaticContact CD1-CE1 3.98Å; F247-Y402 HydrophobicContact CD1-CE1 3.98Å; F247-Y402 HydrophobicContact CE1-CE1 4.45Å; F247-Y402 HydrophobicContact CG-CE1 4.31Å; F247-Y403 AromaticContact CE1-CD2 3.65Å; F247-Y403 HydrophobicContact CE1-CD2 3.65Å; F247-Y403 AromaticContact CE1-CE2 3.69Å; F247-Y403 HydrophobicContact CE1-CE2 3.69Å; F247-Y403 AromaticContact CZ-CD2 3.41Å; F247-Y403 HydrophobicContact CZ-CD2 3.41Å; F247-Y403 VanDerWaalsContact CZ-CD2 3.41Å; F247-Y403 AromaticContact CZ-CE2 3.51Å; F247-Y403 HydrophobicContact CZ-CE2 3.51Å; F247-Y403 HydrophobicContact CZ-CG 4.3Å; F247-A422 WeakPolarHBondContact CE1-O 3.47Å; F247-F423 CarbonylContact O-C 3.43Å; F247-F423 WeakPolarHBondContact O-CA 3.25Å; F247-F423 VanDerWaalsContact O-CB 3.29Å; F247-F423 WeakPolarHBondContact O-CB 3.36Å; F247-G424 PolarHBondContact N-O 2.94Å; F247-G424 PolarHBondContact O-N 3.38Å; F247-L426 HydrophobicContact CB-CB 3.74Å; F247-L426 HydrophobicContact CB-CD2 4.34Å
248M97.9Very high94.5Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-142.7138.5171.4-56.9167.7-7600108.7L218 C252 L253 Y328 L330 R377 I380 F423L218-M248 HydrophobicContact CD1-CE 3.5Å; L218-M248 VanDerWaalsContact CD1-CE 3.5Å; M248-C252 HydrophobicContact CB-CB 4.34Å; M248-L253 HydrophobicContact SD-CD2 4.24Å; M248-Y328 PolarHBondContact N-O 3.29Å; M248-Y328 PolarHBondContact O-N 3.05Å; M248-L330 HydrophobicContact CE-CB 4.2Å; M248-R377 HydrophobicContact CE-CB 4.46Å; M248-R377 HydrophobicContact SD-CB 3.74Å; M248-R377 HydrophobicContact SD-CG 4.39Å; M248-I380 HydrophobicContact CB-CD1 4.22Å; M248-I380 HydrophobicContact CG-CD1 3.5Å; M248-I380 VanDerWaalsContact CG-CD1 3.5Å; M248-I380 HydrophobicContact SD-CD1 3.55Å; M248-I380 VanDerWaalsContact SD-CD1 3.55Å; M248-F423 HydrophobicContact CG-CB 4.17Å
249D97.6Very high94.3Very high1 Ų127 Ų271%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-90.4170.8167.866.912.1000112.6F247 D251 C252 P326 F327 Y403 R410 G421 A422F247-D249 HydrophobicContact CE1-CB 4.34Å; F247-D249 HydrophobicContact CZ-CB 4.21Å; D249-D251 PolarHBondContact O-N 2.89Å; D249-D251 WeakPolarHBondContact OD1-CB 3.42Å; D249-D251 PolarHBondContact OD1-N 3.3Å; D249-C252 WeakPolarHBondContact O-CB 3.45Å; D249-C252 PolarHBondContact O-N 3.44Å; D249-C252 VanDerWaalsContact O-N 3.13Å; D249-C252 PolarHBondContact OD1-N 3.38Å; D249-C252 VanDerWaalsContact OD1-N 3.11Å; D249-C252 PolarHBondContact OD1-SG 2.97Å; D249-P326 CarbonylContact C-O 3.41Å; D249-P326 WeakPolarHBondContact CA-O 3.43Å; D249-F327 HydrophobicContact CB-CD1 4.21Å; D249-F327 HydrophobicContact CB-CE1 4.4Å; D249-Y403 HydrophobicContact CB-CE2 3.91Å; D249-Y403 VanDerWaalsContact CB-OH 3.25Å; D249-Y403 WeakPolarHBondContact CB-OH 3.28Å; D249-Y403 PolarHBondContact OD2-OH 3.4Å; D249-R410 IonicContact OD2-NH2 3.09Å; D249-R410 PolarHBondContact OD2-NH2 2.84Å; D249-R410 VanDerWaalsContact OD2-NH2 3.15Å; D249-G421 WeakPolarHBondContact OD2-CA 3.34Å; D249-A422 PolarHBondContact N-O 2.89Å; D249-A422 PolarHBondContact OD1-N 3.43Å; D249-A422 PolarHBondContact OD2-N 3.19Å
250Q95Very high94Very high38 Ų3825.8 Ų25.818%0.17813%0.131CC..Hα-helixtrans-57.5-37.4179.3-175.564.657.500112.5C252 L253 D254 C325 P326 Y328Q250-C252 PolarHBondContact O-N 3.42Å; Q250-L253 PolarHBondContact O-N 2.8Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; Q250-D254 PolarHBondContact NE2-OD1 3.22Å; Q250-D254 WeakPolarHBondContact O-CB 3.5Å; Q250-D254 VanDerWaalsContact O-CG 3.3Å; Q250-D254 PolarHBondContact O-N 3.27Å; Q250-C325 PolarHBondContact OE1-O 3.33Å; Q250-P326 PolarHBondContact N-O 3.13Å; Q250-Y328 PolarHBondContact OE1-OH 2.93Å
251D95.1Very high93.3Very high36 Ų3626.7 Ų26.719%0.19312%0.123CC..Hα-helixtrans-57.8-36.9177.9-85.9-67.7000112.2D249 C255 R410 R419D249-D251 PolarHBondContact O-N 2.89Å; D249-D251 WeakPolarHBondContact OD1-CB 3.42Å; D249-D251 PolarHBondContact OD1-N 3.3Å; D251-C255 VanDerWaalsContact O-CB 3.26Å; D251-C255 WeakPolarHBondContact O-CB 3.17Å; D251-C255 PolarHBondContact O-N 2.89Å; D251-C255 VanDerWaalsContact O-N 3.09Å; D251-R410 IonicContact OD2-CZ 3.57Å; D251-R410 IonicContact OD2-NE 3.2Å; D251-R410 IonicContact OD2-NH2 3.9Å; D251-R410 PolarHBondContact OD2-NH2 3.34Å; D251-R419 HydrophobicContact CB-CG 4.03Å; D251-R419 PolarHBondContact O-NH1 3.43Å; D251-R419 WeakPolarHBondContact OD1-CG 3.39Å; D251-R419 IonicContact OD1-CZ 2.72Å; D251-R419 IonicContact OD1-NH1 3.3Å; D251-R419 PolarHBondContact OD1-NH1 2.89Å
252C95.3Very high92.4Very high0 Ų037.3 Ų37.30%016%0.161CC..Hα-helixtrans-63.4-49.7175.4-64.90000112.1M248 D249 Q250 C255 V256 I380 F384 A422M248-C252 HydrophobicContact CB-CB 4.34Å; D249-C252 WeakPolarHBondContact O-CB 3.45Å; D249-C252 PolarHBondContact O-N 3.44Å; D249-C252 VanDerWaalsContact O-N 3.13Å; D249-C252 PolarHBondContact OD1-N 3.38Å; D249-C252 VanDerWaalsContact OD1-N 3.11Å; D249-C252 PolarHBondContact OD1-SG 2.97Å; Q250-C252 PolarHBondContact O-N 3.42Å; C252-C255 WeakPolarHBondContact O-CB 3.32Å; C252-C255 PolarHBondContact O-N 2.81Å; C252-V256 WeakPolarHBondContact O-CG2 3.36Å; C252-V256 PolarHBondContact O-N 3.44Å; C252-I380 HydrophobicContact CB-CD1 3.77Å; C252-I380 HydrophobicContact CB-CG1 4.11Å; C252-I380 HydrophobicContact CB-CG2 3.89Å; C252-F384 HydrophobicContact CB-CE2 4.39Å; C252-A422 VanDerWaalsContact SG-C 3.53Å; C252-A422 PolarHBondContact SG-O 3.32Å
253L91.3Very high91.4Very high7 Ų741.4 Ų41.44%0.03718%0.181CC..Hα-helixtrans-68.1-40.4-178.1-64.2-167.5000111.9M248 Q250 C255 V256 E257 N319 Y328 L376M248-L253 HydrophobicContact SD-CD2 4.24Å; Q250-L253 PolarHBondContact O-N 2.8Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; L253-C255 PolarHBondContact O-N 2.67Å; L253-V256 PolarHBondContact O-N 3.2Å; L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.44Å; L253-N319 WeakPolarHBondContact CD1-ND2 3.18Å; L253-Y328 HydrophobicContact CD1-CD1 3.85Å; L253-Y328 HydrophobicContact CD1-CD2 3.42Å; L253-Y328 VanDerWaalsContact CD1-CD2 3.42Å; L253-Y328 HydrophobicContact CD1-CE1 3.85Å; L253-Y328 HydrophobicContact CD1-CE2 3.43Å; L253-Y328 VanDerWaalsContact CD1-CE2 3.43Å; L253-Y328 HydrophobicContact CD1-CG 3.63Å; L253-Y328 HydrophobicContact CG-CD2 4.03Å; L253-Y328 HydrophobicContact CG-CE2 4.18Å; L253-L376 HydrophobicContact CD2-CB 4.45Å
254D91.4Very high89.9Confident59 Ų5941.6 Ų41.632%0.31618%0.181SC..Hα-helixtrans-58-40.2174.3-71.9-8000111.1Q250 K258Q250-D254 PolarHBondContact NE2-OD1 3.22Å; Q250-D254 WeakPolarHBondContact O-CB 3.5Å; Q250-D254 VanDerWaalsContact O-CG 3.3Å; Q250-D254 PolarHBondContact O-N 3.27Å; D254-K258 VanDerWaalsContact O-CB 3.23Å; D254-K258 WeakPolarHBondContact O-CB 3.26Å; D254-K258 PolarHBondContact O-N 2.83Å
255C93.5Very high88.3Confident0 Ų048.1 Ų48.10%021%0.212CC..Hα-helixtrans-67.2-44.3178.9-162.60000111.7D251 C252 L253 K258 H259 A383D251-C255 VanDerWaalsContact O-CB 3.26Å; D251-C255 WeakPolarHBondContact O-CB 3.17Å; D251-C255 PolarHBondContact O-N 2.89Å; D251-C255 VanDerWaalsContact O-N 3.09Å; C252-C255 WeakPolarHBondContact O-CB 3.32Å; C252-C255 PolarHBondContact O-N 2.81Å; L253-C255 PolarHBondContact O-N 2.67Å; C255-K258 PolarHBondContact O-N 3.37Å; C255-H259 PolarHBondContact O-CD2 3.11Å; C255-H259 PolarHBondContact O-N 3.06Å; C255-H259 VanDerWaalsContact O-N 3.12Å; C255-A383 HydrophobicContact CB-CB 4.29Å; C255-A383 PolarHBondContact SG-O 2.85Å
256V91.3Very high86.6Confident4 Ų448.1 Ų48.12%0.02421%0.212CC..Hα-helixtrans-62.7-45.1175.5172.60000110.6C252 L253 K258 L260 R261 V264 L379 I380 A383C252-V256 WeakPolarHBondContact O-CG2 3.36Å; C252-V256 PolarHBondContact O-N 3.44Å; L253-V256 PolarHBondContact O-N 3.2Å; V256-K258 PolarHBondContact O-N 3.35Å; V256-L260 HydrophobicContact CG1-CB 4.5Å; V256-L260 CarbonylContact O-C 3.46Å; V256-L260 VanDerWaalsContact O-CA 3.32Å; V256-L260 WeakPolarHBondContact O-CA 3.39Å; V256-L260 WeakPolarHBondContact O-CB 3.42Å; V256-L260 PolarHBondContact O-N 2.96Å; V256-R261 PolarHBondContact O-N 3.33Å; V256-V264 HydrophobicContact CG1-CG2 3.94Å; V256-L379 HydrophobicContact CG1-CB 4.48Å; V256-L379 HydrophobicContact CG2-CB 4.46Å; V256-I380 HydrophobicContact CG2-CB 4.48Å; V256-I380 HydrophobicContact CG2-CG1 3.91Å; V256-A383 HydrophobicContact CB-CB 4.39Å; V256-A383 HydrophobicContact CG2-CB 3.78Å
257E87.7Confident84.7Confident78 Ų7851 Ų5136%0.36423%0.23SC..Hα-helixtrans-63.2-41.5177.4-178.6170.1-163.400111.9L253 R261 N318L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.44Å; E257-R261 VanDerWaalsContact O-CB 3.32Å; E257-R261 WeakPolarHBondContact O-CB 3.43Å; E257-N318 HydrophobicContact CG-CB 4.05Å; E257-N318 PolarHBondContact OE1-ND2 3.29Å
258K89.5Confident82.9Confident129 Ų12951.1 Ų51.156%0.56123%0.23SC*.Hα-helixtrans-63.7-45.4-180-178.9179.6173.1-168.90112.5D254 C255 V256 D387D254-K258 VanDerWaalsContact O-CB 3.23Å; D254-K258 WeakPolarHBondContact O-CB 3.26Å; D254-K258 PolarHBondContact O-N 2.83Å; C255-K258 PolarHBondContact O-N 3.37Å; V256-K258 PolarHBondContact O-N 3.35Å; K258-D387 IonicContact NZ-OD1 3.63Å; K258-D387 PolarHBondContact NZ-OD1 3.25Å
259H91.3Very high80.8Confident62 Ų6254 Ų5429%0.28724%0.243SC..Hα-helixtrans-103.3-29.9-168.2-66.4-66.1000114.3C255 H386 D387C255-H259 PolarHBondContact O-CD2 3.11Å; C255-H259 PolarHBondContact O-N 3.06Å; C255-H259 VanDerWaalsContact O-N 3.12Å; H259-H386 HydrophobicContact CB-CB 3.9Å; H259-H386 PolarHBondContact CE1-O 2.88Å; H259-D387 IonicContact CD2-OD1 2.91Å; H259-D387 IonicContact CE1-OD1 3.5Å; H259-D387 VanDerWaalsContact NE2-CA 3.33Å; H259-D387 WeakPolarHBondContact NE2-CA 3.11Å; H259-D387 WeakPolarHBondContact NE2-CB 3.38Å; H259-D387 VanDerWaalsContact NE2-CG 3.34Å; H259-D387 IonicContact NE2-OD1 3.81Å; H259-D387 PolarHBondContact NE2-OD1 3Å
260L87.8Confident78.8Confident10 Ų1054 Ų545%0.05224%0.242CC..Hα-helixtrans-125.817.7-168.4-56.7178000113.1V256 R262 Q263 L379 E382 A383V256-L260 HydrophobicContact CG1-CB 4.5Å; V256-L260 CarbonylContact O-C 3.46Å; V256-L260 VanDerWaalsContact O-CA 3.32Å; V256-L260 WeakPolarHBondContact O-CA 3.39Å; V256-L260 WeakPolarHBondContact O-CB 3.42Å; V256-L260 PolarHBondContact O-N 2.96Å; L260-R262 PolarHBondContact O-N 3.48Å; L260-Q263 WeakPolarHBondContact O-CB 3.31Å; L260-Q263 PolarHBondContact O-N 3.44Å; L260-L379 HydrophobicContact CD1-CB 3.87Å; L260-L379 HydrophobicContact CD1-CD2 4.26Å; L260-L379 HydrophobicContact CD1-CG 4.45Å; L260-E382 HydrophobicContact CD1-CB 4.14Å; L260-E382 HydrophobicContact CD1-CG 4.03Å; L260-A383 HydrophobicContact CD1-CB 3.88Å; L260-A383 HydrophobicContact CG-CB 4.41Å
261R77.5Confident77Confident112 Ų11253.4 Ų53.442%0.42324%0.239SC..G310 helixtrans-42.8-41.9179.6-164.7175.5170.7167.53.9114.5V256 E257 Q263 V264 S299 N318V256-R261 PolarHBondContact O-N 3.33Å; E257-R261 VanDerWaalsContact O-CB 3.32Å; E257-R261 WeakPolarHBondContact O-CB 3.43Å; R261-Q263 PolarHBondContact O-N 3.18Å; R261-V264 CarbonylContact O-C 3.46Å; R261-V264 PolarHBondContact O-N 2.74Å; R261-S299 PolarHBondContact NH2-OG 3.34Å; R261-N318 WeakPolarHBondContact CG-OD1 3.17Å; R261-N318 PolarHBondContact NE-ND2 2.95Å; R261-N318 PolarHBondContact NE-OD1 3.15Å
262R76.4Confident75Confident236 Ų23652.8 Ų52.889%0.89124%0.235SC*.G310 helixtrans-69.6-21.8-176.4-68.5-176.1178.5174.20.5113.3L260 V264L260-R262 PolarHBondContact O-N 3.48Å; R262-V264 VanDerWaalsContact C-N 3.3Å
263Q76.3Confident72.9Confident94 Ų9457.5 Ų57.544%0.43925%0.252SS..G310 helixtrans-83.6-11.6177-55-165.427.200112.4L260 R261 L379L260-Q263 WeakPolarHBondContact O-CB 3.31Å; L260-Q263 PolarHBondContact O-N 3.44Å; R261-Q263 PolarHBondContact O-N 3.18Å; Q263-L379 HydrophobicContact CB-CD1 3.97Å
264V65.5Low70.6Confident3 Ų362 Ų622%0.01828%0.282CS..  trans-123.190.5-176.2-1770000108.6V256 R261 R262 L266 L376 L379V256-V264 HydrophobicContact CG1-CG2 3.94Å; R261-V264 CarbonylContact O-C 3.46Å; R261-V264 PolarHBondContact O-N 2.74Å; R262-V264 VanDerWaalsContact C-N 3.3Å; V264-L266 HydrophobicContact CG1-CD1 3.86Å; V264-L266 HydrophobicContact CG1-CD2 4Å; V264-L266 HydrophobicContact CG1-CG 3.8Å; V264-L376 HydrophobicContact CG1-CD2 3.43Å; V264-L376 VanDerWaalsContact CG1-CD2 3.43Å; V264-L376 HydrophobicContact CG1-CG 4.38Å; V264-L376 HydrophobicContact CG2-CD2 4.34Å; V264-L379 HydrophobicContact CG2-CD1 3.77Å
265Q61.5Low68.2Low139 Ų13963.7 Ų63.765%0.6530%0.299SS*.  trans-118.9118.7168.7-75.8-168.21.600109.1
266L61.5Low65.6Low1 Ų165.6 Ų65.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-115.6133.1-164.5-63.6-173.1000111.6V264 Y268 R316 L317 P320 E372 L376V264-L266 HydrophobicContact CG1-CD1 3.86Å; V264-L266 HydrophobicContact CG1-CD2 4Å; V264-L266 HydrophobicContact CG1-CG 3.8Å; L266-Y268 VanDerWaalsContact CA-CE2 3.43Å; L266-Y268 HydrophobicContact CB-CD2 3.49Å; L266-Y268 VanDerWaalsContact CB-CD2 3.49Å; L266-Y268 HydrophobicContact CB-CE2 3.13Å; L266-Y268 HydrophobicContact CD1-CE2 4.09Å; L266-Y268 HydrophobicContact CD2-CE2 3.5Å; L266-Y268 WeakPolarHBondContact CD2-OH 3.23Å; L266-Y268 HydrophobicContact CG-CD2 4.43Å; L266-Y268 HydrophobicContact CG-CE2 3.69Å; L266-R316 WeakPolarHBondContact O-CA 3.35Å; L266-R316 PolarHBondContact O-N 2.77Å; L266-L317 HydrophobicContact CB-CB 4.36Å; L266-L317 WeakPolarHBondContact CB-O 3.36Å; L266-L317 WeakPolarHBondContact CG-O 3.35Å; L266-L317 PolarHBondContact N-O 3.34Å; L266-L317 PolarHBondContact O-N 3.24Å; L266-P320 HydrophobicContact CD1-CB 4.06Å; L266-P320 HydrophobicContact CD1-CG 3.97Å; L266-E372 HydrophobicContact CD2-CB 3.69Å; L266-E372 HydrophobicContact CD2-CG 4.36Å; L266-L376 HydrophobicContact CD1-CD1 4.16Å; L266-L376 HydrophobicContact CD1-CD2 4.34Å
267T57.8Low63.1Low63 Ų6372.2 Ų72.239%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-127.7115.6168.2-57.10000110.2C314 F315 Q369T267-C314 WeakPolarHBondContact CA-O 3.12Å; T267-F315 HydrophobicContact CG2-CD1 3.45Å; T267-F315 VanDerWaalsContact CG2-CD1 3.45Å; T267-F315 HydrophobicContact CG2-CE1 3.55Å; T267-F315 HydrophobicContact CG2-CG 4.38Å; T267-Q369 PolarHBondContact O-NE2 3.18Å
268Y60.1Low60.8Low2 Ų271.3 Ų71.31%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-141.6160.3-165.1-71.1-89.6000112.9L266 T313 C314 P320 Q369 E372 I373L266-Y268 VanDerWaalsContact CA-CE2 3.43Å; L266-Y268 HydrophobicContact CB-CD2 3.49Å; L266-Y268 VanDerWaalsContact CB-CD2 3.49Å; L266-Y268 HydrophobicContact CB-CE2 3.13Å; L266-Y268 HydrophobicContact CD1-CE2 4.09Å; L266-Y268 HydrophobicContact CD2-CE2 3.5Å; L266-Y268 WeakPolarHBondContact CD2-OH 3.23Å; L266-Y268 HydrophobicContact CG-CD2 4.43Å; L266-Y268 HydrophobicContact CG-CE2 3.69Å; Y268-T313 CarbonylContact O-C 3.52Å; Y268-T313 WeakPolarHBondContact O-CA 3.28Å; Y268-C314 PolarHBondContact N-O 3.14Å; Y268-C314 PolarHBondContact O-N 2.97Å; Y268-P320 HydrophobicContact CD2-CB 4.07Å; Y268-P320 HydrophobicContact CE2-CB 4.5Å; Y268-P320 HydrophobicContact CG-CB 4.15Å; Y268-Q369 HydrophobicContact CD1-CB 4.39Å; Y268-Q369 HydrophobicContact CD1-CG 4.22Å; Y268-Q369 HydrophobicContact CE1-CB 3.73Å; Y268-Q369 HydrophobicContact CE1-CG 3.88Å; Y268-Q369 PolarHBondContact OH-O 2.95Å; Y268-Q369 VanDerWaalsContact OH-O 3.05Å; Y268-E372 WeakPolarHBondContact OH-CB 3.48Å; Y268-E372 PolarHBondContact OH-OE2 3.31Å; Y268-I373 HydrophobicContact CD1-CD1 4.43Å; Y268-I373 HydrophobicContact CE1-CD1 3.74Å; Y268-I373 HydrophobicContact CE1-CG1 3.57Å; Y268-I373 PolarHBondContact OH-N 3.19Å
269K54.1Low58.2Low60 Ų6073.3 Ų73.326%0.26135%0.35SS..EExtended strand (participates in β ladder)trans-97.4121.3156.4-65-167.2-163.2131.60109.2A312 T313 E365K269-A312 CarbonylContact C-O 3.39Å; K269-A312 VanDerWaalsContact CA-O 3.25Å; K269-A312 WeakPolarHBondContact CA-O 3.4Å; K269-T313 HydrophobicContact CG-CG2 4.45Å; K269-E365 WeakPolarHBondContact CD-OE1 3.27Å; K269-E365 WeakPolarHBondContact CE-OE2 3.1Å; K269-E365 VanDerWaalsContact NZ-CD 3.26Å; K269-E365 IonicContact NZ-OE1 2.75Å; K269-E365 PolarHBondContact NZ-OE1 3.36Å; K269-E365 IonicContact NZ-OE2 2.77Å; K269-E365 PolarHBondContact NZ-OE2 3.09Å
270A55.6Low55.3Low0 Ų081.1 Ų81.10%038%0.377CS..EExtended strand (participates in β ladder)trans-96.5143.6174.200000110.9F272 K311 A312 V362A270-F272 HydrophobicContact CB-CD2 4.41Å; A270-F272 HydrophobicContact CB-CE1 4.44Å; A270-F272 HydrophobicContact CB-CE2 3.46Å; A270-F272 VanDerWaalsContact CB-CE2 3.46Å; A270-F272 HydrophobicContact CB-CZ 3.49Å; A270-F272 VanDerWaalsContact CB-CZ 3.49Å; A270-K311 WeakPolarHBondContact O-CA 3.48Å; A270-A312 PolarHBondContact N-O 2.77Å; A270-A312 PolarHBondContact O-N 3.42Å; A270-V362 HydrophobicContact CB-CG1 3.98Å
271Y55.7Low52.8Low26 Ų2684.2 Ų84.210%0.10239%0.393CS..EExtended strand (participates in β ladder)trans-110117.6-176.3-69.3-97.8000109.5N310 K311 F346 G361 F363Y271-N310 CarbonylContact C-O 3.42Å; Y271-N310 VanDerWaalsContact CA-O 3.27Å; Y271-N310 WeakPolarHBondContact CA-O 3.38Å; Y271-K311 HydrophobicContact CD1-CD 4.18Å; Y271-K311 HydrophobicContact CD1-CG 3.77Å; Y271-K311 HydrophobicContact CE1-CD 3.43Å; Y271-K311 VanDerWaalsContact CE1-CD 3.43Å; Y271-K311 HydrophobicContact CE1-CG 3.56Å; Y271-F346 HydrophobicContact CD1-CE2 4.17Å; Y271-F346 HydrophobicContact CD1-CZ 4.04Å; Y271-F346 AromaticContact CE1-CE2 3.51Å; Y271-F346 HydrophobicContact CE1-CE2 3.51Å; Y271-F346 AromaticContact CE1-CZ 3.5Å; Y271-F346 HydrophobicContact CE1-CZ 3.5Å; Y271-F346 VanDerWaalsContact CE1-CZ 3.5Å; Y271-F346 HydrophobicContact CE2-CE2 4.21Å; Y271-F346 AromaticContact CZ-CE2 3.56Å; Y271-G361 PolarHBondContact N-O 3.43Å; Y271-F363 HydrophobicContact CE2-CB 4.2Å
272F54Low50.9Low23 Ų2380.4 Ų80.410%0.10139%0.388CS..  trans-115.4138-175.4-59.6-77.5000110.7A270 I276 N310 A312 V322A270-F272 HydrophobicContact CB-CD2 4.41Å; A270-F272 HydrophobicContact CB-CE1 4.44Å; A270-F272 HydrophobicContact CB-CE2 3.46Å; A270-F272 VanDerWaalsContact CB-CE2 3.46Å; A270-F272 HydrophobicContact CB-CZ 3.49Å; A270-F272 VanDerWaalsContact CB-CZ 3.49Å; F272-I276 HydrophobicContact CB-CD1 4.29Å; F272-I276 HydrophobicContact CD1-CD1 3.71Å; F272-N310 PolarHBondContact N-O 2.76Å; F272-N310 WeakPolarHBondContact O-CA 3.34Å; F272-N310 VanDerWaalsContact O-CB 3.3Å; F272-N310 WeakPolarHBondContact O-CB 3.32Å; F272-A312 HydrophobicContact CD2-CB 4.18Å; F272-A312 HydrophobicContact CE2-CB 3.82Å; F272-V322 HydrophobicContact CE1-CB 3.89Å; F272-V322 HydrophobicContact CE1-CG1 4.47Å; F272-V322 HydrophobicContact CE1-CG2 4.16Å; F272-V322 HydrophobicContact CZ-CB 3.99Å; F272-V322 HydrophobicContact CZ-CG2 3.74Å
273W50.5Low49.2Very low99 Ų9977.8 Ų77.838%0.37538%0.383SS..  trans-94.3151169.2-149.9-110.4000110.6S275 I276 L354W273-S275 PolarHBondContact O-N 3Å; W273-I276 PolarHBondContact O-N 3.14Å; W273-L354 HydrophobicContact CD2-CD2 4.38Å; W273-L354 HydrophobicContact CH2-CD2 3.38Å; W273-L354 HydrophobicContact CH2-CG 4.3Å; W273-L354 HydrophobicContact CZ2-CD2 3.2Å; W273-L354 HydrophobicContact CZ2-CG 4.45Å; W273-L354 HydrophobicContact CZ3-CD2 4.03Å
274P42.7Very low47.4Very low102 Ų10275.2 Ų75.266%0.66237%0.372SS*.THydrogen-bonded Turntrans-63.41.7-163.2-23.634.6000117.4
275S41Very low46.2Very low95 Ų9579 Ų7966%0.66440%0.399SS*.THydrogen-bonded Turntrans-99.310.3179.744.10000114.2W273W273-S275 PolarHBondContact O-N 3Å
276I40.2Very low45.2Very low39 Ų3979.4 Ų79.420%0.240%0.401CS..SBendtrans-91114.4174.5-64.3168.3000109F272 W273 I278F272-I276 HydrophobicContact CB-CD1 4.29Å; F272-I276 HydrophobicContact CD1-CD1 3.71Å; W273-I276 PolarHBondContact O-N 3.14Å; I276-I278 PolarHBondContact O-N 3.02Å
277D37.8Very low44.3Very low144 Ų14487.2 Ų87.277%0.7744%0.443SS*.  trans-61.397.5171.3-80.8-45.5000109.7F279D277-F279 WeakPolarHBondContact O-CD2 3.1Å; D277-F279 PolarHBondContact O-N 2.8Å; D277-F279 VanDerWaalsContact O-N 3.1Å
278I40.1Very low43.7Very low59 Ų5989 Ų8930%0.30345%0.447SS..  trans-69.6102.1175.8-75.8166.1000108.5I276 I281 L294I276-I278 PolarHBondContact O-N 3.02Å; I278-I281 HydrophobicContact CG2-CD1 3.85Å; I278-I281 HydrophobicContact CG2-CG1 3.46Å; I278-I281 VanDerWaalsContact CG2-CG1 3.46Å; I278-L294 HydrophobicContact CB-CD2 3.96Å; I278-L294 HydrophobicContact CD1-CD1 4.12Å; I278-L294 HydrophobicContact CG1-CD1 4.32Å; I278-L294 HydrophobicContact CG1-CD2 3.97Å; I278-L294 HydrophobicContact CG2-CD1 4.04Å; I278-L294 HydrophobicContact CG2-CD2 3.19Å; I278-L294 HydrophobicContact CG2-CG 3.63Å
279F34.5Very low43Very low171 Ų17195.3 Ų95.375%0.7547%0.474SS*.  trans-69.9136.1173.2-85.6-93.8000111.4D277D277-F279 WeakPolarHBondContact O-CD2 3.1Å; D277-F279 PolarHBondContact O-N 2.8Å; D277-F279 VanDerWaalsContact O-N 3.1Å
280R31.2Very low42.7Very low225 Ų22598.7 Ų98.785%0.84950%0.495SS*.  trans40.288.2177.4-84.2-172173.2-174.6-0.3116.2
281I34.9Very low42.1Very low76 Ų76101.3 Ų101.339%0.3951%0.508SS..EExtended strand (participates in β ladder)trans-79.9120.7166.9-55.8172.1000109.4I278 K292I278-I281 HydrophobicContact CG2-CD1 3.85Å; I278-I281 HydrophobicContact CG2-CG1 3.46Å; I278-I281 VanDerWaalsContact CG2-CG1 3.46Å; I281-K292 HydrophobicContact CG2-CB 4.46Å; I281-K292 HydrophobicContact CG2-CG 4.44Å
282G38.1Very low41.9Very low31 Ų31103.4 Ų103.432%0.3252%0.518SS..EExtended strand (participates in β ladder)trans-99.2134.1163.800000110L293G282-L293 PolarHBondContact N-O 2.66Å; G282-L293 VanDerWaalsContact N-O 3.11Å; G282-L293 PolarHBondContact O-N 3.02Å
283F41Very low41.6Very low182 Ų182103.5 Ų103.580%0.79852%0.519SS*.EExtended strand (participates in β ladder)trans-82.7128.6170-70-85.3000109.4
284L38.4Very low41.7Very low39 Ų3999.5 Ų99.520%0.20451%0.505CS..PPolyproline II helixtrans-69.7151.4168.2-69.5167.5000109.8E288 L293 Y303L284-E288 HydrophobicContact CB-CB 3.65Å; L284-E288 WeakPolarHBondContact CB-OE2 3.38Å; L284-E288 HydrophobicContact CD1-CB 4.31Å; L284-L293 HydrophobicContact CD1-CB 4.48Å; L284-L293 HydrophobicContact CD2-CB 4.43Å; L284-L293 HydrophobicContact CD2-CD1 4.45Å; L284-L293 HydrophobicContact CD2-CD2 4.25Å; L284-L293 HydrophobicContact CG-CB 4.17Å; L284-Y303 HydrophobicContact CD1-CD1 4.16Å; L284-Y303 HydrophobicContact CD1-CE1 3.98Å
285S38.4Very low42.1Very low84 Ų8498.7 Ų98.759%0.58750%0.495SS*.PPolyproline II helixtrans-56.4162.7-173.172.10000113.3N287 E288S285-N287 PolarHBondContact O-N 3.01Å; S285-E288 PolarHBondContact O-N 3.29Å
286E41Very low42.7Very low147 Ų14796.9 Ų96.969%0.68748%0.477SS*.THydrogen-bonded Turntrans-54.3-17.5-162.7-65.5-158114.100117.4K289E286-K289 IonicContact OE1-NZ 2.77Å; E286-K289 PolarHBondContact OE1-NZ 3.14Å
287N44.1Very low43.4Very low165 Ų16598.5 Ų98.588%0.88249%0.486SS*.THydrogen-bonded Turntrans-85.5-6.9174.9-73.2-24.9000114.4S285S285-N287 PolarHBondContact O-N 3.01Å
288E44.2Very low44Very low101 Ų101100.1 Ų100.147%0.47250%0.495SS..  trans-117.714.6-177.3-69.9-178.4139.800113.4L284 S285 L290 N291L284-E288 HydrophobicContact CB-CB 3.65Å; L284-E288 WeakPolarHBondContact CB-OE2 3.38Å; L284-E288 HydrophobicContact CD1-CB 4.31Å; S285-E288 PolarHBondContact O-N 3.29Å; E288-L290 PolarHBondContact O-N 2.92Å; E288-N291 PolarHBondContact O-N 3.23Å
289K44.9Very low44.5Very low134 Ų13499.6 Ų99.658%0.58350%0.496SS*.THydrogen-bonded Turntrans-54.53-175.5-83.5178.8177.2167.60117.1E286E286-K289 IonicContact OE1-NZ 2.77Å; E286-K289 PolarHBondContact OE1-NZ 3.14Å
290L47.8Very low45.4Very low131 Ų13191.5 Ų91.569%0.68646%0.461SS*.THydrogen-bonded Turntrans-88.2-14.9176.4-77.9158.9000114.1E288 N306E288-L290 PolarHBondContact O-N 2.92Å; L290-N306 WeakPolarHBondContact O-CB 3.49Å; L290-N306 PolarHBondContact O-N 3.13Å; L290-N306 VanDerWaalsContact O-N 3.11Å; L290-N306 PolarHBondContact O-ND2 3.31Å; L290-N306 VanDerWaalsContact O-ND2 3.16Å
291N44.6Very low46.4Very low54 Ų5482.9 Ų82.929%0.28943%0.433SS..EExtended strand (participates in β ladder)trans-130.4143.3-171.1-58.2-27.6000112.8E288 Q304 Q305E288-N291 PolarHBondContact O-N 3.23Å; N291-Q304 CarbonylContact C-O 3.51Å; N291-Q304 VanDerWaalsContact CA-O 3.29Å; N291-Q304 WeakPolarHBondContact CA-O 3.37Å; N291-Q305 WeakPolarHBondContact OD1-CA 3.46Å; N291-Q305 WeakPolarHBondContact OD1-CG 3.43Å
292K51.3Low47.4Very low70 Ų7079.4 Ų79.430%0.30442%0.415SS..EExtended strand (participates in β ladder)trans-92.5131.7172-67.8178.2-177.6174.40110.2I281 Y303 Q304I281-K292 HydrophobicContact CG2-CB 4.46Å; I281-K292 HydrophobicContact CG2-CG 4.44Å; K292-Y303 WeakPolarHBondContact O-CA 3.35Å; K292-Q304 HydrophobicContact CB-CB 4.34Å; K292-Q304 PolarHBondContact N-O 3.25Å; K292-Q304 PolarHBondContact O-N 2.93Å
293L47.8Very low48.2Very low25 Ų2582 Ų8213%0.13142%0.416CS..EExtended strand (participates in β ladder)trans-92.9122.7169.1-163.379000109.5G282 L284 I295 V301 Y303G282-L293 PolarHBondContact N-O 2.66Å; G282-L293 VanDerWaalsContact N-O 3.11Å; G282-L293 PolarHBondContact O-N 3.02Å; L284-L293 HydrophobicContact CD1-CB 4.48Å; L284-L293 HydrophobicContact CD2-CB 4.43Å; L284-L293 HydrophobicContact CD2-CD1 4.45Å; L284-L293 HydrophobicContact CD2-CD2 4.25Å; L284-L293 HydrophobicContact CG-CB 4.17Å; L293-I295 HydrophobicContact CD2-CD1 4.29Å; L293-I295 HydrophobicContact CD2-CG1 4.2Å; L293-I295 HydrophobicContact CG-CG1 4.48Å; L293-V301 HydrophobicContact CD1-CG1 3.31Å; L293-V301 HydrophobicContact CD2-CG1 4.34Å; L293-V301 HydrophobicContact CG-CG1 3.88Å; L293-Y303 HydrophobicContact CD1-CD1 3.52Å; L293-Y303 HydrophobicContact CD1-CD2 4.09Å; L293-Y303 HydrophobicContact CD1-CE1 3.11Å; L293-Y303 HydrophobicContact CD1-CE2 3.73Å; L293-Y303 HydrophobicContact CD1-CG 4Å
294L52.4Low49.2Very low16 Ų1674 Ų748%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-112.3107.6-179.2-107.5143.9000107.4I278 C302 Q304I278-L294 HydrophobicContact CB-CD2 3.96Å; I278-L294 HydrophobicContact CD1-CD1 4.12Å; I278-L294 HydrophobicContact CG1-CD1 4.32Å; I278-L294 HydrophobicContact CG1-CD2 3.97Å; I278-L294 HydrophobicContact CG2-CD1 4.04Å; I278-L294 HydrophobicContact CG2-CD2 3.19Å; I278-L294 HydrophobicContact CG2-CG 3.63Å; L294-C302 HydrophobicContact CB-CB 3.78Å; L294-C302 PolarHBondContact N-O 3.19Å; L294-C302 PolarHBondContact O-N 3.32Å; L294-Q304 HydrophobicContact CD1-CB 4.35Å
295I50.3Low50.1Low85 Ų8576.7 Ų76.744%0.43639%0.393SS..EExtended strand (participates in β ladder)trans-94.9111.9176.2-58.9175.1000107.7L293 N297L293-I295 HydrophobicContact CD2-CD1 4.29Å; L293-I295 HydrophobicContact CD2-CG1 4.2Å; L293-I295 HydrophobicContact CG-CG1 4.48Å; I295-N297 WeakPolarHBondContact CG2-O 3.41Å
296I53.6Low51.2Low57 Ų5776.8 Ų76.829%0.29239%0.387SS..EExtended strand (participates in β ladder)trans-83-42.2-177.8-59.7164.1000110.4A300 C302 L317 V322I296-A300 PolarHBondContact N-O 3.18Å; I296-C302 WeakPolarHBondContact CD1-SG 3.39Å; I296-L317 HydrophobicContact CD1-CD2 4.07Å; I296-V322 HydrophobicContact CB-CG1 4.45Å; I296-V322 HydrophobicContact CD1-CB 3.99Å; I296-V322 HydrophobicContact CD1-CG1 3.38Å; I296-V322 HydrophobicContact CD1-CG2 3.38Å; I296-V322 HydrophobicContact CG1-CG1 3.7Å; I296-V322 HydrophobicContact CG2-CG1 3.87Å
297N54.7Low52.3Low72 Ų7274.3 Ų74.339%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-155.7176.8173.663.544.2000110.1I295 S299 A300I295-N297 WeakPolarHBondContact CG2-O 3.41Å; N297-S299 PolarHBondContact O-N 3.06Å; N297-S299 WeakPolarHBondContact OD1-CA 3.38Å; N297-S299 PolarHBondContact OD1-N 3.08Å; N297-S299 PolarHBondContact OD1-OG 3.08Å; N297-A300 PolarHBondContact O-N 3.15Å; N297-A300 PolarHBondContact OD1-N 3.33Å
298D49.9Very low53.3Low179 Ų17970 Ų7096%0.95736%0.36SS*.THydrogen-bonded Turntrans-57-13.6-177.1-66.3-20.3000114.6
299S51.8Low54.2Low47 Ų4769 Ų6933%0.32936%0.362SS..THydrogen-bonded Turntrans-116.8-9.6-176.846.40000115.9R261 N297 R316R261-S299 PolarHBondContact NH2-OG 3.34Å; N297-S299 PolarHBondContact O-N 3.06Å; N297-S299 WeakPolarHBondContact OD1-CA 3.38Å; N297-S299 PolarHBondContact OD1-N 3.08Å; N297-S299 PolarHBondContact OD1-OG 3.08Å; S299-R316 WeakPolarHBondContact O-CB 3.35Å
300A52.9Low54.9Low1 Ų165.2 Ų65.21%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-128.8134.6-17400000112.8I296 N297 F315 L317I296-A300 PolarHBondContact N-O 3.18Å; N297-A300 PolarHBondContact O-N 3.15Å; N297-A300 PolarHBondContact OD1-N 3.33Å; A300-F315 WeakPolarHBondContact CA-O 3.28Å; A300-L317 HydrophobicContact CB-CD2 3.53Å; A300-L317 HydrophobicContact CB-CG 4.29Å
301V52.2Low55.6Low45 Ų4561.7 Ų61.727%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-129.3129.4-175.6-174.40000109.3L293 Y303 C314 F315L293-V301 HydrophobicContact CD1-CG1 3.31Å; L293-V301 HydrophobicContact CD2-CG1 4.34Å; L293-V301 HydrophobicContact CG-CG1 3.88Å; V301-Y303 HydrophobicContact CB-CE2 4.24Å; V301-Y303 HydrophobicContact CG1-CD2 4.07Å; V301-Y303 HydrophobicContact CG1-CE2 3.44Å; V301-Y303 VanDerWaalsContact CG1-CE2 3.44Å; V301-C314 CarbonylContact O-C 3.47Å; V301-C314 WeakPolarHBondContact O-CA 3.49Å; V301-F315 PolarHBondContact N-O 3.03Å; V301-F315 PolarHBondContact O-N 3.02Å
302C56.5Low56.4Low2 Ų259.1 Ų59.11%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-112.4145.8171.1-61.10000111.9L294 I296 A312 T313 C314L294-C302 HydrophobicContact CB-CB 3.78Å; L294-C302 PolarHBondContact N-O 3.19Å; L294-C302 PolarHBondContact O-N 3.32Å; I296-C302 WeakPolarHBondContact CD1-SG 3.39Å; C302-A312 HydrophobicContact CB-CB 4.27Å; C302-T313 CarbonylContact C-O 3.36Å; C302-T313 WeakPolarHBondContact CA-O 3.39Å; C302-C314 HydrophobicContact CB-CB 4.16Å; C302-C314 WeakPolarHBondContact CB-SG 3.34Å; C302-C314 WeakPolarHBondContact SG-CB 3.23Å; C302-C314 CovalentContact SG-SG 2.04Å; C302-C314 PolarHBondContact SG-SG 2.89Å
303Y55Low56.9Low87 Ų8757.7 Ų57.734%0.34131%0.311SS..EExtended strand (participates in β ladder)trans-123.9115.7178.9-67.6-100.6000108.8L284 K292 L293 V301 A312 T313 F315L284-Y303 HydrophobicContact CD1-CD1 4.16Å; L284-Y303 HydrophobicContact CD1-CE1 3.98Å; K292-Y303 WeakPolarHBondContact O-CA 3.35Å; L293-Y303 HydrophobicContact CD1-CD1 3.52Å; L293-Y303 HydrophobicContact CD1-CD2 4.09Å; L293-Y303 HydrophobicContact CD1-CE1 3.11Å; L293-Y303 HydrophobicContact CD1-CE2 3.73Å; L293-Y303 HydrophobicContact CD1-CG 4Å; V301-Y303 HydrophobicContact CB-CE2 4.24Å; V301-Y303 HydrophobicContact CG1-CD2 4.07Å; V301-Y303 HydrophobicContact CG1-CE2 3.44Å; V301-Y303 VanDerWaalsContact CG1-CE2 3.44Å; Y303-A312 CarbonylContact O-C 3.43Å; Y303-A312 VanDerWaalsContact O-CA 3.27Å; Y303-A312 WeakPolarHBondContact O-CA 3.38Å; Y303-T313 PolarHBondContact N-O 3.15Å; Y303-T313 PolarHBondContact O-N 3.37Å; Y303-F315 AromaticContact CD2-CD2 3.73Å; Y303-F315 HydrophobicContact CD2-CD2 3.73Å; Y303-F315 AromaticContact CD2-CE2 3.46Å; Y303-F315 HydrophobicContact CD2-CE2 3.46Å; Y303-F315 VanDerWaalsContact CD2-CE2 3.46Å; Y303-F315 AromaticContact CE2-CD2 3.76Å; Y303-F315 HydrophobicContact CE2-CD2 3.76Å; Y303-F315 AromaticContact CE2-CE2 3.7Å; Y303-F315 HydrophobicContact CE2-CE2 3.7Å; Y303-F315 HydrophobicContact CG-CE2 4.49Å
304Q60.6Low57.3Low13 Ų1356.5 Ų56.56%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-106.3125.3178.5-174.1-174.822.200109.1N291 K292 L294 P309 K311 A312N291-Q304 CarbonylContact C-O 3.51Å; N291-Q304 VanDerWaalsContact CA-O 3.29Å; N291-Q304 WeakPolarHBondContact CA-O 3.37Å; K292-Q304 HydrophobicContact CB-CB 4.34Å; K292-Q304 PolarHBondContact N-O 3.25Å; K292-Q304 PolarHBondContact O-N 2.93Å; L294-Q304 HydrophobicContact CD1-CB 4.35Å; Q304-P309 PolarHBondContact NE2-O 2.89Å; Q304-K311 WeakPolarHBondContact CG-O 3.4Å; Q304-A312 HydrophobicContact CB-CB 3.92Å; Q304-A312 HydrophobicContact CG-CB 4.39Å
305Q58.1Low57.2Low95 Ų9559.5 Ų59.544%0.44432%0.317SS..EExtended strand (participates in β ladder)trans-81.6137.6175-62.3-166.8-1400110N291 S307 E308N291-Q305 WeakPolarHBondContact OD1-CA 3.46Å; N291-Q305 WeakPolarHBondContact OD1-CG 3.43Å; Q305-S307 PolarHBondContact O-N 3.16Å; Q305-S307 VanDerWaalsContact O-N 3.17Å; Q305-E308 CarbonylContact O-C 3.6Å; Q305-E308 PolarHBondContact O-N 3.28Å; Q305-E308 VanDerWaalsContact O-N 3.09Å
306N62.4Low57.5Low87 Ų8764.1 Ų64.147%0.46533%0.329SS..THydrogen-bonded Turntrans-61.2-26.1179-77-24.8000113.3L290 E308L290-N306 WeakPolarHBondContact O-CB 3.49Å; L290-N306 PolarHBondContact O-N 3.13Å; L290-N306 VanDerWaalsContact O-N 3.11Å; L290-N306 PolarHBondContact O-ND2 3.31Å; L290-N306 VanDerWaalsContact O-ND2 3.16Å; N306-E308 VanDerWaalsContact C-N 3.33Å
307S64.1Low57.5Low95 Ų9561.8 Ų61.866%0.66432%0.318SS*.THydrogen-bonded Turntrans-73.8-20.3177.448.10000114.1Q305Q305-S307 PolarHBondContact O-N 3.16Å; Q305-S307 VanDerWaalsContact O-N 3.17Å
308E65.2Low57.9Low75 Ų7559.4 Ų59.435%0.3531%0.305SS..  trans-131.173179.8-65-167.2135.200109.4Q305 N306 N310 K311Q305-E308 CarbonylContact O-C 3.6Å; Q305-E308 PolarHBondContact O-N 3.28Å; Q305-E308 VanDerWaalsContact O-N 3.09Å; N306-E308 VanDerWaalsContact C-N 3.33Å; E308-N310 PolarHBondContact O-N 3.38Å; E308-K311 HydrophobicContact CB-CB 4.1Å; E308-K311 HydrophobicContact CB-CD 4.47Å; E308-K311 HydrophobicContact CB-CG 4.24Å; E308-K311 PolarHBondContact O-N 2.8Å; E308-K311 WeakPolarHBondContact OE1-CE 3.35Å; E308-K311 IonicContact OE1-NZ 2.7Å; E308-K311 PolarHBondContact OE1-NZ 3.43Å; E308-K311 WeakPolarHBondContact OE2-CD 3.25Å; E308-K311 IonicContact OE2-NZ 2.74Å
309P61.6Low58.7Low79 Ų7952.1 Ų52.151%0.51327%0.266SS..THydrogen-bonded Turntrans-65-11.9-172.627.1-35.5000113.6Q304Q304-P309 PolarHBondContact NE2-O 2.89Å
310N60.7Low59.6Low54 Ų5449.9 Ų49.929%0.28925%0.25SC..THydrogen-bonded Turntrans-97.64.5175.3-62.9-9.9000112.6Y271 F272 E308Y271-N310 CarbonylContact C-O 3.42Å; Y271-N310 VanDerWaalsContact CA-O 3.27Å; Y271-N310 WeakPolarHBondContact CA-O 3.38Å; F272-N310 PolarHBondContact N-O 2.76Å; F272-N310 WeakPolarHBondContact O-CA 3.34Å; F272-N310 VanDerWaalsContact O-CB 3.3Å; F272-N310 WeakPolarHBondContact O-CB 3.32Å; E308-N310 PolarHBondContact O-N 3.38Å
311K61.2Low60.6Low57 Ų5750.1 Ų50.125%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-126.1131.5-179.5-55.5-164.9-155.3162.50111.7A270 Y271 Q304 E308A270-K311 WeakPolarHBondContact O-CA 3.48Å; Y271-K311 HydrophobicContact CD1-CD 4.18Å; Y271-K311 HydrophobicContact CD1-CG 3.77Å; Y271-K311 HydrophobicContact CE1-CD 3.43Å; Y271-K311 VanDerWaalsContact CE1-CD 3.43Å; Y271-K311 HydrophobicContact CE1-CG 3.56Å; Q304-K311 WeakPolarHBondContact CG-O 3.4Å; E308-K311 HydrophobicContact CB-CB 4.1Å; E308-K311 HydrophobicContact CB-CD 4.47Å; E308-K311 HydrophobicContact CB-CG 4.24Å; E308-K311 PolarHBondContact O-N 2.8Å; E308-K311 WeakPolarHBondContact OE1-CE 3.35Å; E308-K311 IonicContact OE1-NZ 2.7Å; E308-K311 PolarHBondContact OE1-NZ 3.43Å; E308-K311 WeakPolarHBondContact OE2-CD 3.25Å; E308-K311 IonicContact OE2-NZ 2.74Å
312A62.5Low61.5Low1 Ų150 Ų501%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-130.4141.2168.500000111.3K269 A270 F272 C302 Y303 Q304K269-A312 CarbonylContact C-O 3.39Å; K269-A312 VanDerWaalsContact CA-O 3.25Å; K269-A312 WeakPolarHBondContact CA-O 3.4Å; A270-A312 PolarHBondContact N-O 2.77Å; A270-A312 PolarHBondContact O-N 3.42Å; F272-A312 HydrophobicContact CD2-CB 4.18Å; F272-A312 HydrophobicContact CE2-CB 3.82Å; C302-A312 HydrophobicContact CB-CB 4.27Å; Y303-A312 CarbonylContact O-C 3.43Å; Y303-A312 VanDerWaalsContact O-CA 3.27Å; Y303-A312 WeakPolarHBondContact O-CA 3.38Å; Q304-A312 HydrophobicContact CB-CB 3.92Å; Q304-A312 HydrophobicContact CG-CB 4.39Å
313T61.8Low62.4Low39 Ų3951.1 Ų51.124%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-88.6116.5172.5-51.90000109.4Y268 K269 C302 Y303 F315Y268-T313 CarbonylContact O-C 3.52Å; Y268-T313 WeakPolarHBondContact O-CA 3.28Å; K269-T313 HydrophobicContact CG-CG2 4.45Å; C302-T313 CarbonylContact C-O 3.36Å; C302-T313 WeakPolarHBondContact CA-O 3.39Å; Y303-T313 PolarHBondContact N-O 3.15Å; Y303-T313 PolarHBondContact O-N 3.37Å; T313-F315 HydrophobicContact CG2-CE1 4.43Å; T313-F315 HydrophobicContact CG2-CE2 3.75Å; T313-F315 HydrophobicContact CG2-CZ 3.68Å
314C56.5Low63.5Low0 Ų055.3 Ų55.30%028%0.28CS..EExtended strand (participates in β ladder)trans-109.7137.4-177.4-61.80000112.1T267 Y268 V301 C302 L317T267-C314 WeakPolarHBondContact CA-O 3.12Å; Y268-C314 PolarHBondContact N-O 3.14Å; Y268-C314 PolarHBondContact O-N 2.97Å; V301-C314 CarbonylContact O-C 3.47Å; V301-C314 WeakPolarHBondContact O-CA 3.49Å; C302-C314 HydrophobicContact CB-CB 4.16Å; C302-C314 WeakPolarHBondContact CB-SG 3.34Å; C302-C314 WeakPolarHBondContact SG-CB 3.23Å; C302-C314 CovalentContact SG-SG 2.04Å; C302-C314 PolarHBondContact SG-SG 2.89Å; C314-L317 HydrophobicContact CB-CD1 3.45Å; C314-L317 VanDerWaalsContact CB-CD1 3.45Å; C314-L317 HydrophobicContact CB-CG 4.24Å
315F49.3Very low65Low79 Ų7954.7 Ų54.735%0.34628%0.277SS..EExtended strand (participates in β ladder)trans-118.4142-176.7-62.3-88.1000111.4T267 A300 V301 Y303 T313 L317T267-F315 HydrophobicContact CG2-CD1 3.45Å; T267-F315 VanDerWaalsContact CG2-CD1 3.45Å; T267-F315 HydrophobicContact CG2-CE1 3.55Å; T267-F315 HydrophobicContact CG2-CG 4.38Å; A300-F315 WeakPolarHBondContact CA-O 3.28Å; V301-F315 PolarHBondContact N-O 3.03Å; V301-F315 PolarHBondContact O-N 3.02Å; Y303-F315 AromaticContact CD2-CD2 3.73Å; Y303-F315 HydrophobicContact CD2-CD2 3.73Å; Y303-F315 AromaticContact CD2-CE2 3.46Å; Y303-F315 HydrophobicContact CD2-CE2 3.46Å; Y303-F315 VanDerWaalsContact CD2-CE2 3.46Å; Y303-F315 AromaticContact CE2-CD2 3.76Å; Y303-F315 HydrophobicContact CE2-CD2 3.76Å; Y303-F315 AromaticContact CE2-CE2 3.7Å; Y303-F315 HydrophobicContact CE2-CE2 3.7Å; Y303-F315 HydrophobicContact CG-CE2 4.49Å; T313-F315 HydrophobicContact CG2-CE1 4.43Å; T313-F315 HydrophobicContact CG2-CE2 3.75Å; T313-F315 HydrophobicContact CG2-CZ 3.68Å; F315-L317 VanDerWaalsContact C-N 3.3Å; F315-L317 PolarHBondContact O-N 2.89Å
316R56.3Low66.7Low182 Ų18252.8 Ų52.869%0.68727%0.273SS*.EExtended strand (participates in β ladder)trans60.235.4171.8-57.2-179.7-178.2-179.50.9114.1L266 S299L266-R316 WeakPolarHBondContact O-CA 3.35Å; L266-R316 PolarHBondContact O-N 2.77Å; S299-R316 WeakPolarHBondContact O-CB 3.35Å
317L54.6Low68.4Low9 Ų949.5 Ų49.55%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-74.6147.2171.6-72.2173.6000110L266 I296 A300 C314 F315 N319 V322L266-L317 HydrophobicContact CB-CB 4.36Å; L266-L317 WeakPolarHBondContact CB-O 3.36Å; L266-L317 WeakPolarHBondContact CG-O 3.35Å; L266-L317 PolarHBondContact N-O 3.34Å; L266-L317 PolarHBondContact O-N 3.24Å; I296-L317 HydrophobicContact CD1-CD2 4.07Å; A300-L317 HydrophobicContact CB-CD2 3.53Å; A300-L317 HydrophobicContact CB-CG 4.29Å; C314-L317 HydrophobicContact CB-CD1 3.45Å; C314-L317 VanDerWaalsContact CB-CD1 3.45Å; C314-L317 HydrophobicContact CB-CG 4.24Å; F315-L317 VanDerWaalsContact C-N 3.3Å; F315-L317 PolarHBondContact O-N 2.89Å; L317-N319 WeakPolarHBondContact CB-O 3.45Å; L317-V322 HydrophobicContact CD1-CG2 4.14Å
318N61.9Low70Confident21 Ų2145.1 Ų45.111%0.11222%0.223CC..SBendtrans-94.9-27.4165.8-55-37.9000110.2E257 R261 L376E257-N318 HydrophobicContact CG-CB 4.05Å; E257-N318 PolarHBondContact OE1-ND2 3.29Å; R261-N318 WeakPolarHBondContact CG-OD1 3.17Å; R261-N318 PolarHBondContact NE-ND2 2.95Å; R261-N318 PolarHBondContact NE-OD1 3.15Å; N318-L376 WeakPolarHBondContact O-CD2 3.29Å
319N68.3Low71.5Confident26 Ų2641.5 Ų41.514%0.13921%0.207CC..SBendtrans-121.7118.9168.2179.2-3.7000107.7L253 L317 I321 Y328L253-N319 WeakPolarHBondContact CD1-ND2 3.18Å; L317-N319 WeakPolarHBondContact CB-O 3.45Å; N319-I321 PolarHBondContact O-N 2.84Å; N319-I321 WeakPolarHBondContact OD1-CB 3.4Å; N319-I321 PolarHBondContact OD1-N 2.97Å; N319-Y328 WeakPolarHBondContact ND2-CE1 3.45Å; N319-Y328 PolarHBondContact ND2-OH 3.3Å; N319-Y328 VanDerWaalsContact ND2-OH 3.14Å
320P70.5Confident73.1Confident0 Ų037.8 Ų37.80%018%0.182CC..SBendtrans-73.7-11.2-174.433.2-34.3000112.1L218 L266 Y268 V362 L376L218-P320 HydrophobicContact CD2-CG 3.62Å; L266-P320 HydrophobicContact CD1-CB 4.06Å; L266-P320 HydrophobicContact CD1-CG 3.97Å; Y268-P320 HydrophobicContact CD2-CB 4.07Å; Y268-P320 HydrophobicContact CE2-CB 4.5Å; Y268-P320 HydrophobicContact CG-CB 4.15Å; P320-V362 HydrophobicContact CB-CG1 3.97Å; P320-V362 HydrophobicContact CB-CG2 3.91Å; P320-V362 HydrophobicContact CG-CG2 3.87Å; P320-V362 VanDerWaalsContact O-CG1 3.26Å; P320-V362 WeakPolarHBondContact O-CG1 3.25Å; P320-L376 HydrophobicContact CG-CD1 3.99Å
321I73.9Confident74.9Confident6 Ų635.2 Ų35.23%0.03117%0.169CC..  trans-87.3119170.7-56.4-63.4000108.6L218 N319 T323 Y328 D360 V362L218-I321 HydrophobicContact CD2-CG1 3.96Å; L218-I321 HydrophobicContact CG-CD1 4.45Å; L218-I321 HydrophobicContact CG-CG1 4.11Å; L218-I321 WeakPolarHBondContact O-CD1 3.41Å; N319-I321 PolarHBondContact O-N 2.84Å; N319-I321 WeakPolarHBondContact OD1-CB 3.4Å; N319-I321 PolarHBondContact OD1-N 2.97Å; I321-T323 WeakPolarHBondContact CG2-O 3.48Å; I321-Y328 HydrophobicContact CB-CD1 4.25Å; I321-Y328 HydrophobicContact CB-CE1 3.88Å; I321-Y328 HydrophobicContact CG1-CD1 4.05Å; I321-Y328 HydrophobicContact CG1-CE1 4.22Å; I321-Y328 HydrophobicContact CG2-CE1 4.01Å; I321-D360 HydrophobicContact CG2-CB 3.83Å; I321-V362 HydrophobicContact CD1-CG1 4.35Å; I321-V362 HydrophobicContact CD1-CG2 4.45Å
322V70.9Confident76.6Confident42 Ų4232.6 Ų32.626%0.25516%0.157SC..  trans-84.1-35.4-174.41760000110.6F272 I296 L317 Q324 D360F272-V322 HydrophobicContact CE1-CB 3.89Å; F272-V322 HydrophobicContact CE1-CG1 4.47Å; F272-V322 HydrophobicContact CE1-CG2 4.16Å; F272-V322 HydrophobicContact CZ-CB 3.99Å; F272-V322 HydrophobicContact CZ-CG2 3.74Å; I296-V322 HydrophobicContact CB-CG1 4.45Å; I296-V322 HydrophobicContact CD1-CB 3.99Å; I296-V322 HydrophobicContact CD1-CG1 3.38Å; I296-V322 HydrophobicContact CD1-CG2 3.38Å; I296-V322 HydrophobicContact CG1-CG1 3.7Å; I296-V322 HydrophobicContact CG2-CG1 3.87Å; L317-V322 HydrophobicContact CD1-CG2 4.14Å; V322-Q324 PolarHBondContact O-N 3.14Å; V322-D360 PolarHBondContact N-OD2 2.91Å
323T74.1Confident78.2Confident26 Ų2632.5 Ų32.516%0.1616%0.157CC..SBendtrans-71.3122.6176.5-54.80000109.8I321 C325 A359 D360I321-T323 WeakPolarHBondContact CG2-O 3.48Å; T323-C325 PolarHBondContact O-N 3.03Å; T323-C325 PolarHBondContact O-SG 3.36Å; T323-A359 HydrophobicContact CG2-CB 4.26Å; T323-D360 PolarHBondContact N-OD2 2.84Å; T323-D360 WeakPolarHBondContact OG1-CB 3.42Å; T323-D360 PolarHBondContact OG1-OD2 2.83Å
324Q79.8Confident79.8Confident175 Ų17531.5 Ų31.582%0.81815%0.149SC*.  trans-64.1114.1178-168.81668.400110.4V322V322-Q324 PolarHBondContact O-N 3.14Å
325C90.4Very high81.7Confident1 Ų131.7 Ų31.71%0.00715%0.151CC..  trans-124.3137.5-177.6-65.60000109.8Q250 T323 F327 Y328Q250-C325 PolarHBondContact OE1-O 3.33Å; T323-C325 PolarHBondContact O-N 3.03Å; T323-C325 PolarHBondContact O-SG 3.36Å; C325-F327 PolarHBondContact O-N 3.12Å; C325-Y328 HydrophobicContact CB-CE1 4.07Å; C325-Y328 PolarHBondContact N-OH 2.84Å; C325-Y328 WeakPolarHBondContact O-CE2 3.5Å; C325-Y328 PolarHBondContact O-OH 3.43Å
326P95.1Very high83.8Confident54 Ų5433.5 Ų33.535%0.35116%0.159SC..SBendtrans-68.5-19.4174.625.8-33000113.4C221 R222 D249 Q250C221-P326 WeakPolarHBondContact O-CD 3.33Å; R222-P326 WeakPolarHBondContact O-CG 3.42Å; D249-P326 CarbonylContact C-O 3.41Å; D249-P326 WeakPolarHBondContact CA-O 3.43Å; Q250-P326 PolarHBondContact N-O 3.13Å
327F97.7Very high85.6Confident19 Ų1928.9 Ų28.98%0.08315%0.148CC..EExtended strand (participates in β ladder)trans-135.7147.6-174.3-54.2-64.4000111.9C221 T223 F224 C227 F247 D249 C325 Y403C221-F327 HydrophobicContact CB-CB 4.1Å; C221-F327 PolarHBondContact N-O 2.86Å; C221-F327 PolarHBondContact O-N 2.81Å; T223-F327 VanDerWaalsContact C-CD2 3.41Å; F224-F327 HydrophobicContact CB-CE2 4.15Å; F224-F327 HydrophobicContact CB-CZ 4.17Å; F224-F327 VanDerWaalsContact N-CE2 3.3Å; C227-F327 VanDerWaalsContact SG-CB 3.52Å; F247-F327 HydrophobicContact CE2-CB 4Å; F247-F327 AromaticContact CE2-CD1 3.4Å; F247-F327 HydrophobicContact CE2-CD1 3.4Å; F247-F327 VanDerWaalsContact CE2-CD1 3.4Å; F247-F327 HydrophobicContact CE2-CE1 4.17Å; F247-F327 AromaticContact CE2-CG 3.96Å; F247-F327 HydrophobicContact CE2-CG 3.96Å; F247-F327 AromaticContact CZ-CD1 3.39Å; F247-F327 HydrophobicContact CZ-CD1 3.39Å; F247-F327 AromaticContact CZ-CE1 3.85Å; F247-F327 HydrophobicContact CZ-CE1 3.85Å; F247-F327 HydrophobicContact CZ-CG 4.38Å; D249-F327 HydrophobicContact CB-CD1 4.21Å; D249-F327 HydrophobicContact CB-CE1 4.4Å; C325-F327 PolarHBondContact O-N 3.12Å; F327-Y403 AromaticContact CE1-CD1 3.82Å; F327-Y403 HydrophobicContact CE1-CD1 3.82Å; F327-Y403 HydrophobicContact CE1-CD2 4.22Å; F327-Y403 AromaticContact CE1-CE1 3.46Å; F327-Y403 HydrophobicContact CE1-CE1 3.46Å; F327-Y403 VanDerWaalsContact CE1-CE1 3.46Å; F327-Y403 AromaticContact CE1-CE2 3.91Å; F327-Y403 HydrophobicContact CE1-CE2 3.91Å; F327-Y403 HydrophobicContact CE1-CG 4.18Å; F327-Y403 AromaticContact CE1-CZ 3.51Å; F327-Y403 AromaticContact CZ-CD1 3.97Å; F327-Y403 HydrophobicContact CZ-CD1 3.97Å; F327-Y403 AromaticContact CZ-CE1 3.75Å; F327-Y403 HydrophobicContact CZ-CE1 3.75Å
328Y96.8Very high87Confident2 Ų232.5 Ų32.51%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-136.1134.2-178.6-56.4-89.9000110L219 M248 Q250 L253 N319 I321 C325L219-Y328 CarbonylContact O-C 3.55Å; L219-Y328 WeakPolarHBondContact O-CA 3.48Å; M248-Y328 PolarHBondContact N-O 3.29Å; M248-Y328 PolarHBondContact O-N 3.05Å; Q250-Y328 PolarHBondContact OE1-OH 2.93Å; L253-Y328 HydrophobicContact CD1-CD1 3.85Å; L253-Y328 HydrophobicContact CD1-CD2 3.42Å; L253-Y328 VanDerWaalsContact CD1-CD2 3.42Å; L253-Y328 HydrophobicContact CD1-CE1 3.85Å; L253-Y328 HydrophobicContact CD1-CE2 3.43Å; L253-Y328 VanDerWaalsContact CD1-CE2 3.43Å; L253-Y328 HydrophobicContact CD1-CG 3.63Å; L253-Y328 HydrophobicContact CG-CD2 4.03Å; L253-Y328 HydrophobicContact CG-CE2 4.18Å; N319-Y328 WeakPolarHBondContact ND2-CE1 3.45Å; N319-Y328 PolarHBondContact ND2-OH 3.3Å; N319-Y328 VanDerWaalsContact ND2-OH 3.14Å; I321-Y328 HydrophobicContact CB-CD1 4.25Å; I321-Y328 HydrophobicContact CB-CE1 3.88Å; I321-Y328 HydrophobicContact CG1-CD1 4.05Å; I321-Y328 HydrophobicContact CG1-CE1 4.22Å; I321-Y328 HydrophobicContact CG2-CE1 4.01Å; C325-Y328 HydrophobicContact CB-CE1 4.07Å; C325-Y328 PolarHBondContact N-OH 2.84Å; C325-Y328 WeakPolarHBondContact O-CE2 3.5Å; C325-Y328 PolarHBondContact O-OH 3.43Å
329M97.3Very high88Confident0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-118114.3-177.5-67-59.7-60.400109.2L218 L219 C227 L230 V245 E246 F247 L426L218-M329 CarbonylContact C-O 3.52Å; L218-M329 WeakPolarHBondContact CA-O 3.48Å; L219-M329 HydrophobicContact CB-CB 4.47Å; L219-M329 PolarHBondContact N-O 2.81Å; L219-M329 PolarHBondContact O-N 2.97Å; C227-M329 HydrophobicContact CB-CG 4.29Å; C227-M329 HydrophobicContact CB-SD 3.88Å; L230-M329 HydrophobicContact CD1-CB 4.26Å; L230-M329 HydrophobicContact CD1-CG 4.31Å; L230-M329 HydrophobicContact CD2-CB 4.14Å; L230-M329 HydrophobicContact CD2-CE 4.42Å; L230-M329 HydrophobicContact CD2-CG 4.3Å; V245-M329 HydrophobicContact CG1-CE 3.23Å; E246-M329 CarbonylContact O-C 3.56Å; E246-M329 WeakPolarHBondContact O-CA 3.42Å; F247-M329 HydrophobicContact CB-SD 3.99Å; F247-M329 HydrophobicContact CD2-SD 3.83Å; F247-M329 HydrophobicContact CG-SD 4.42Å; M329-L426 HydrophobicContact CE-CB 4.36Å; M329-L426 HydrophobicContact CE-CD2 3.51Å; M329-L426 HydrophobicContact CE-CG 4.48Å; M329-L426 HydrophobicContact SD-CD2 3.79Å
330L96.5Very high89.2Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-92.1121.5170.4178.8167.8000108.4V216 A217 L218 V245 E246 M248 I373 W374 R377V216-L330 HydrophobicContact CG1-CD2 4.42Å; V216-L330 HydrophobicContact CG1-CG 4.33Å; A217-L330 CarbonylContact O-C 3.55Å; A217-L330 VanDerWaalsContact O-CA 3.28Å; A217-L330 WeakPolarHBondContact O-CA 3.45Å; L218-L330 HydrophobicContact CD1-CB 3.9Å; V245-L330 WeakPolarHBondContact CA-O 3.46Å; E246-L330 HydrophobicContact CB-CB 4.14Å; E246-L330 HydrophobicContact CG-CD2 4.4Å; E246-L330 PolarHBondContact N-O 2.84Å; E246-L330 PolarHBondContact O-N 2.87Å; M248-L330 HydrophobicContact CE-CB 4.2Å; L330-I373 HydrophobicContact CD1-CG2 3.75Å; L330-I373 HydrophobicContact CG-CG2 4.09Å; L330-W374 HydrophobicContact CD1-CD2 3.87Å; L330-W374 HydrophobicContact CD1-CE3 4.08Å; L330-W374 HydrophobicContact CD1-CG 4.13Å; L330-W374 HydrophobicContact CD2-CD2 4.12Å; L330-W374 HydrophobicContact CD2-CH2 4.01Å; L330-W374 HydrophobicContact CD2-CZ2 3.55Å; L330-W374 HydrophobicContact CD2-CZ3 4.45Å; L330-R377 HydrophobicContact CD1-CB 4.03Å
331I97Very high90.3Very high1 Ų140.6 Ų40.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-111.5130.6179-51.1-60.1000108.2V216 A217 L219 L230 M234 L238 L242 V245V216-I331 CarbonylContact C-O 3.55Å; V216-I331 WeakPolarHBondContact CA-O 3.45Å; A217-I331 HydrophobicContact CB-CB 4.29Å; A217-I331 PolarHBondContact N-O 3.08Å; A217-I331 PolarHBondContact O-N 2.64Å; L219-I331 HydrophobicContact CD1-CG1 3.66Å; L230-I331 HydrophobicContact CD2-CD1 3.68Å; L230-I331 HydrophobicContact CD2-CG1 4.15Å; M234-I331 HydrophobicContact CG-CD1 4.1Å; M234-I331 HydrophobicContact CG-CG1 4.31Å; M234-I331 HydrophobicContact CG-CG2 4.35Å; M234-I331 HydrophobicContact SD-CG2 4.1Å; L238-I331 HydrophobicContact CD1-CG2 4.26Å; L242-I331 HydrophobicContact CD1-CG2 3.7Å; V245-I331 HydrophobicContact CB-CD1 4.12Å; V245-I331 HydrophobicContact CG1-CD1 3.61Å; V245-I331 HydrophobicContact CG2-CD1 3.82Å
332E96.8Very high91Very high1 Ų142.4 Ų42.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-121.1144.5171.7-167.4-169.577.700110.3H145 R214 N215 V216 S243 S244 M334 W374H145-E332 IonicContact CD2-OE1 3.74Å; H145-E332 IonicContact NE2-OE1 2.7Å; H145-E332 PolarHBondContact NE2-OE1 3.2Å; R214-E332 HydrophobicContact CG-CG 4.25Å; R214-E332 IonicContact CZ-OE2 2.89Å; R214-E332 IonicContact NE-OE2 3.37Å; R214-E332 PolarHBondContact NE-OE2 2.94Å; R214-E332 IonicContact NH2-OE2 3.7Å; R214-E332 PolarHBondContact NH2-OE2 2.91Å; N215-E332 CarbonylContact O-C 3.54Å; N215-E332 VanDerWaalsContact O-CA 3.31Å; N215-E332 WeakPolarHBondContact O-CA 3.38Å; N215-E332 WeakPolarHBondContact O-CG 3.35Å; V216-E332 HydrophobicContact CG2-CB 4.47Å; V216-E332 HydrophobicContact CG2-CG 3.9Å; S243-E332 WeakPolarHBondContact CB-OE1 3.34Å; S243-E332 PolarHBondContact N-O 3.06Å; S243-E332 VanDerWaalsContact OG-CB 3.31Å; S243-E332 WeakPolarHBondContact OG-CB 3.3Å; S243-E332 WeakPolarHBondContact OG-CG 3.48Å; S243-E332 PolarHBondContact OG-O 3.15Å; S243-E332 VanDerWaalsContact OG-O 3.12Å; S243-E332 PolarHBondContact OG-OE1 3.03Å; S244-E332 PolarHBondContact N-O 3.3Å; S244-E332 PolarHBondContact O-N 2.85Å; E332-M334 WeakPolarHBondContact OE1-CE 3.3Å; E332-W374 HydrophobicContact CB-CZ2 4.15Å; E332-W374 PolarHBondContact OE2-NE1 2.8Å
333T96.8Very high91.9Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-126.3147.3168.750.10000111.8R214 N215 L238 L241 S243 T345R214-T333 VanDerWaalsContact CA-O 3.29Å; R214-T333 WeakPolarHBondContact CA-O 3.49Å; N215-T333 WeakPolarHBondContact CB-OG1 3.48Å; N215-T333 PolarHBondContact N-O 3.12Å; N215-T333 PolarHBondContact O-N 3.44Å; L238-T333 HydrophobicContact CD1-CG2 3.71Å; L238-T333 HydrophobicContact CD2-CG2 4.4Å; L238-T333 HydrophobicContact CG-CG2 4.42Å; L241-T333 HydrophobicContact CD2-CG2 4.25Å; L241-T333 HydrophobicContact CG-CG2 3.78Å; L241-T333 CarbonylContact O-C 3.48Å; L241-T333 WeakPolarHBondContact O-CA 3.26Å; L241-T333 VanDerWaalsContact O-CB 3.27Å; L241-T333 WeakPolarHBondContact O-CB 3.23Å; S243-T333 WeakPolarHBondContact OG-CA 3.47Å; S243-T333 PolarHBondContact OG-N 2.88Å; T333-T345 HydrophobicContact CG2-CG2 3.85Å; T333-T345 WeakPolarHBondContact CG2-OG1 3.48Å; T333-T345 PolarHBondContact OG1-OG1 2.99Å
334M95.5Very high92.8Very high17 Ų1748 Ų488%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-138.3124.9177.4-73.1-170.3-177.300111.4H145 P211 T213 R214 L241 E332H145-M334 WeakPolarHBondContact CE1-CE 3.47Å; H145-M334 WeakPolarHBondContact NE2-CE 3.33Å; P211-M334 HydrophobicContact CB-CB 3.72Å; P211-M334 HydrophobicContact CB-CG 4.37Å; P211-M334 HydrophobicContact CB-SD 4.44Å; P211-M334 HydrophobicContact CG-CB 3.75Å; P211-M334 HydrophobicContact CG-CG 4.39Å; P211-M334 HydrophobicContact CG-SD 3.97Å; T213-M334 WeakPolarHBondContact O-CA 3.28Å; R214-M334 HydrophobicContact CG-CG 4.46Å; L241-M334 PolarHBondContact O-N 3.38Å; E332-M334 WeakPolarHBondContact OE1-CE 3.3Å
335G95.6Very high93.5Very high4 Ų439.8 Ų39.84%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-148.7-156.3-175.400000114.6P211 V212 T213 D341P211-G335 CarbonylContact C-O 3.59Å; P211-G335 VanDerWaalsContact CA-O 3.29Å; P211-G335 WeakPolarHBondContact CA-O 3.31Å; P211-G335 WeakPolarHBondContact CB-O 3.41Å; V212-G335 PolarHBondContact N-O 2.88Å; T213-G335 PolarHBondContact N-O 3.23Å; T213-G335 PolarHBondContact O-N 3.17Å; T213-G335 WeakPolarHBondContact OG1-CA 3.32Å; T213-G335 PolarHBondContact OG1-N 3.3Å; T213-G335 PolarHBondContact OG1-O 2.79Å; G335-D341 VanDerWaalsContact C-OD2 3.3Å; G335-D341 VanDerWaalsContact CA-OD2 3.23Å; G335-D341 WeakPolarHBondContact CA-OD2 3.39Å
336F94.7Very high93.4Very high117 Ų11742.5 Ų42.551%0.51321%0.214SC..SBendtrans-131.8-3.6-168.8-65.3-82.2000113.6P209 R210 D341P209-F336 HydrophobicContact CB-CE1 4.2Å; P209-F336 HydrophobicContact CB-CZ 3.92Å; R210-F336 WeakPolarHBondContact O-CE1 3.48Å; F336-D341 PolarHBondContact N-OD2 3.21Å
337D93.4Very high93.2Very high86 Ų8642.3 Ų42.346%0.4621%0.214SC..  trans-137.596.8-175.9-178.9-8.1000110D339 N340 D341D337-D339 VanDerWaalsContact C-N 3.33Å; D337-D339 PolarHBondContact O-N 2.92Å; D337-N340 HydrophobicContact CB-CB 4.25Å; D337-N340 PolarHBondContact O-N 2.81Å; D337-N340 WeakPolarHBondContact OD2-CB 3.23Å; D337-D341 PolarHBondContact N-OD2 2.68Å; D337-D341 WeakPolarHBondContact O-CB 3.3Å; D337-D341 PolarHBondContact O-N 3.11Å; D337-D341 VanDerWaalsContact O-OD2 3.13Å
338Q84.5Confident93Very high85 Ų8541.5 Ų41.540%0.39721%0.21SC..Hα-helixtrans-55.9-47.8-168.8-171.571.643.500111.9T213 N340 D342T213-Q338 HydrophobicContact CG2-CB 3.85Å; T213-Q338 VanDerWaalsContact CG2-N 3.26Å; Q338-N340 VanDerWaalsContact C-N 3.31Å; Q338-N340 PolarHBondContact O-N 3.38Å; Q338-D342 PolarHBondContact NE2-OD1 3.38Å; Q338-D342 PolarHBondContact NE2-OD2 3.17Å; Q338-D342 WeakPolarHBondContact O-CB 3.49Å; Q338-D342 PolarHBondContact O-N 3.39Å; Q338-D342 VanDerWaalsContact O-N 3.08Å; Q338-D342 VanDerWaalsContact O-OD1 3.13Å
339D83.5Confident92.7Very high113 Ų11341.7 Ų41.760%0.60421%0.212SC*.Hα-helixtrans-68.3-32.7-174.1-75.6-21.5000112.4D337 K343D337-D339 VanDerWaalsContact C-N 3.33Å; D337-D339 PolarHBondContact O-N 2.92Å; D339-K343 WeakPolarHBondContact O-CD 3.38Å; D339-K343 WeakPolarHBondContact O-CE 3.38Å; D339-K343 VanDerWaalsContact O-CG 3.22Å; D339-K343 WeakPolarHBondContact O-CG 3.25Å
340N92.9Very high92.2Very high87 Ų8745.6 Ų45.647%0.46523%0.23SC..Hα-helixtrans-85.6-40179.7-17366.5000112.1D337 Q338 K343 T344D337-N340 HydrophobicContact CB-CB 4.25Å; D337-N340 PolarHBondContact O-N 2.81Å; D337-N340 WeakPolarHBondContact OD2-CB 3.23Å; Q338-N340 VanDerWaalsContact C-N 3.31Å; Q338-N340 PolarHBondContact O-N 3.38Å; N340-K343 PolarHBondContact O-N 3.25Å; N340-T344 VanDerWaalsContact O-CB 3.31Å; N340-T344 WeakPolarHBondContact O-CB 3.29Å; N340-T344 PolarHBondContact O-N 3.44Å; N340-T344 PolarHBondContact O-OG1 3.39Å
341D93.9Very high91.9Very high17 Ų1747.4 Ų47.49%0.09124%0.238CC..Hα-helixtrans-63.8-47-179.1-65.6-23000110.2T213 L241 G335 F336 D337 K343 T344 T345T213-D341 WeakPolarHBondContact CG2-OD2 3.12Å; T213-D341 PolarHBondContact OG1-OD2 3.04Å; L241-D341 HydrophobicContact CD1-CB 3.99Å; L241-D341 HydrophobicContact CD2-CB 4.07Å; G335-D341 VanDerWaalsContact C-OD2 3.3Å; G335-D341 VanDerWaalsContact CA-OD2 3.23Å; G335-D341 WeakPolarHBondContact CA-OD2 3.39Å; F336-D341 PolarHBondContact N-OD2 3.21Å; D337-D341 PolarHBondContact N-OD2 2.68Å; D337-D341 WeakPolarHBondContact O-CB 3.3Å; D337-D341 PolarHBondContact O-N 3.11Å; D337-D341 VanDerWaalsContact O-OD2 3.13Å; D341-K343 PolarHBondContact O-N 3.3Å; D341-T344 PolarHBondContact O-N 3.13Å; D341-T345 WeakPolarHBondContact O-CB 3.31Å; D341-T345 PolarHBondContact O-N 3.32Å; D341-T345 PolarHBondContact O-OG1 2.87Å
342D88.8Confident91.6Very high44 Ų4447.3 Ų47.324%0.23524%0.238CC..Hα-helixtrans-60.6-46.2179.3-65.47.7000111.4N215 Q338 F346N215-D342 PolarHBondContact ND2-OD1 2.93Å; N215-D342 PolarHBondContact OD1-OD1 3.23Å; Q338-D342 PolarHBondContact NE2-OD1 3.38Å; Q338-D342 PolarHBondContact NE2-OD2 3.17Å; Q338-D342 WeakPolarHBondContact O-CB 3.49Å; Q338-D342 PolarHBondContact O-N 3.39Å; Q338-D342 VanDerWaalsContact O-N 3.08Å; Q338-D342 VanDerWaalsContact O-OD1 3.13Å; D342-F346 WeakPolarHBondContact O-CB 3.44Å; D342-F346 PolarHBondContact O-N 2.88Å
343K88.9Confident91Very high142 Ų14248.4 Ų48.462%0.61724%0.244SC*.Hα-helixtrans-63.6-42.3178-72.8173.4-166.8151.50112D339 N340 D341 S347D339-K343 WeakPolarHBondContact O-CD 3.38Å; D339-K343 WeakPolarHBondContact O-CE 3.38Å; D339-K343 VanDerWaalsContact O-CG 3.22Å; D339-K343 WeakPolarHBondContact O-CG 3.25Å; N340-K343 PolarHBondContact O-N 3.25Å; D341-K343 PolarHBondContact O-N 3.3Å; K343-S347 WeakPolarHBondContact O-CB 3.25Å; K343-S347 PolarHBondContact O-N 3.2Å
344T93.9Very high90.6Very high44 Ų4452.8 Ų52.827%0.2727%0.266SS..Hα-helixtrans-67.2-46.1-178.9-56.80000110.3L238 L241 N340 D341 S347 A348L238-T344 HydrophobicContact CD2-CG2 4.09Å; L241-T344 HydrophobicContact CD2-CG2 4.4Å; N340-T344 VanDerWaalsContact O-CB 3.31Å; N340-T344 WeakPolarHBondContact O-CB 3.29Å; N340-T344 PolarHBondContact O-N 3.44Å; N340-T344 PolarHBondContact O-OG1 3.39Å; D341-T344 PolarHBondContact O-N 3.13Å; T344-S347 PolarHBondContact O-N 2.96Å; T344-A348 PolarHBondContact O-N 3.45Å
345T92.6Very high90.4Very high1 Ų156.7 Ų56.71%0.00628%0.284CS..Hα-helixtrans-61.8-48.8176.3-55.50000111.5N215 T333 D341 S347 A348 M349 F363N215-T345 HydrophobicContact CB-CG2 4.17Å; T333-T345 HydrophobicContact CG2-CG2 3.85Å; T333-T345 WeakPolarHBondContact CG2-OG1 3.48Å; T333-T345 PolarHBondContact OG1-OG1 2.99Å; D341-T345 WeakPolarHBondContact O-CB 3.31Å; D341-T345 PolarHBondContact O-N 3.32Å; D341-T345 PolarHBondContact O-OG1 2.87Å; T345-S347 PolarHBondContact O-N 3.42Å; T345-A348 PolarHBondContact O-N 2.89Å; T345-M349 WeakPolarHBondContact O-CG 3.37Å; T345-M349 PolarHBondContact O-N 3.3Å; T345-M349 VanDerWaalsContact O-N 3.12Å; T345-F363 HydrophobicContact CG2-CE2 3.73Å; T345-F363 HydrophobicContact CG2-CZ 4.46Å
346F89.3Confident90.1Very high59 Ų5958.7 Ų58.726%0.25931%0.305SS..Hα-helixtrans-60.4-45.3178.4-172.9-91.7000112.1Y271 D342 A348 M349 E350 F363Y271-F346 HydrophobicContact CD1-CE2 4.17Å; Y271-F346 HydrophobicContact CD1-CZ 4.04Å; Y271-F346 AromaticContact CE1-CE2 3.51Å; Y271-F346 HydrophobicContact CE1-CE2 3.51Å; Y271-F346 AromaticContact CE1-CZ 3.5Å; Y271-F346 HydrophobicContact CE1-CZ 3.5Å; Y271-F346 VanDerWaalsContact CE1-CZ 3.5Å; Y271-F346 HydrophobicContact CE2-CE2 4.21Å; Y271-F346 AromaticContact CZ-CE2 3.56Å; D342-F346 WeakPolarHBondContact O-CB 3.44Å; D342-F346 PolarHBondContact O-N 2.88Å; F346-A348 VanDerWaalsContact C-N 3.34Å; F346-A348 PolarHBondContact O-N 2.82Å; F346-M349 WeakPolarHBondContact O-CB 3.26Å; F346-M349 PolarHBondContact O-N 2.96Å; F346-E350 PolarHBondContact O-N 3.35Å; F346-F363 HydrophobicContact CD2-CD1 4.31Å; F346-F363 HydrophobicContact CD2-CG 4.28Å
347S90.8Very high90.1Very high49 Ų4954.9 Ų54.934%0.34329%0.289SS..Hα-helixtrans-62.7-38.8178.7179.70000112.7K343 T344 T345 E350 Q351K343-S347 WeakPolarHBondContact O-CB 3.25Å; K343-S347 PolarHBondContact O-N 3.2Å; T344-S347 PolarHBondContact O-N 2.96Å; T345-S347 PolarHBondContact O-N 3.42Å; S347-E350 PolarHBondContact O-N 3.41Å; S347-Q351 PolarHBondContact O-N 2.9Å
348A93.7Very high90Very high2 Ų251 Ų512%0.01727%0.269CS..Hα-helixtrans-63.8-42.8175.900000111.3L233 M234 R237 L238 T344 T345 F346 Q351 C352L233-A348 HydrophobicContact CD2-CB 4.47Å; M234-A348 HydrophobicContact CE-CB 3.89Å; M234-A348 WeakPolarHBondContact CE-O 3.42Å; M234-A348 HydrophobicContact SD-CB 4.15Å; R237-A348 HydrophobicContact CB-CB 3.84Å; L238-A348 HydrophobicContact CD1-CB 4.39Å; L238-A348 HydrophobicContact CD2-CB 3.68Å; L238-A348 HydrophobicContact CG-CB 3.99Å; T344-A348 PolarHBondContact O-N 3.45Å; T345-A348 PolarHBondContact O-N 2.89Å; F346-A348 VanDerWaalsContact C-N 3.34Å; F346-A348 PolarHBondContact O-N 2.82Å; A348-Q351 WeakPolarHBondContact O-CB 3.48Å; A348-Q351 PolarHBondContact O-N 2.69Å; A348-C352 PolarHBondContact O-N 3Å; A348-C352 VanDerWaalsContact O-N 3.07Å
349M90.2Very high90.2Very high6 Ų647.7 Ų47.73%0.0326%0.256CS..Hα-helixtrans-63.9-44.5176.9-71.417963.400112.9A217 L219 T345 F346 Q351 C352 L353 F363A217-M349 HydrophobicContact CB-CE 3.4Å; A217-M349 HydrophobicContact CB-CG 4.25Å; A217-M349 HydrophobicContact CB-SD 3.17Å; A217-M349 WeakPolarHBondContact CB-SD 3.37Å; L219-M349 HydrophobicContact CD1-CE 4.27Å; L219-M349 HydrophobicContact CD1-CG 4.37Å; L219-M349 HydrophobicContact CD2-CE 4.04Å; L219-M349 HydrophobicContact CG-CE 4.13Å; T345-M349 WeakPolarHBondContact O-CG 3.37Å; T345-M349 PolarHBondContact O-N 3.3Å; T345-M349 VanDerWaalsContact O-N 3.12Å; F346-M349 WeakPolarHBondContact O-CB 3.26Å; F346-M349 PolarHBondContact O-N 2.96Å; M349-Q351 PolarHBondContact O-N 3.41Å; M349-C352 WeakPolarHBondContact O-CB 3.19Å; M349-C352 PolarHBondContact O-N 3.19Å; M349-L353 PolarHBondContact O-N 3.45Å; M349-F363 HydrophobicContact CE-CB 4.26Å; M349-F363 HydrophobicContact CE-CD2 4.31Å; M349-F363 HydrophobicContact SD-CB 4.35Å; M349-F363 HydrophobicContact SD-CD2 3.38Å; M349-F363 WeakPolarHBondContact SD-CD2 3.37Å; M349-F363 HydrophobicContact SD-CE2 4.05Å; M349-F363 HydrophobicContact SD-CG 4.28Å
350E86.1Confident90.2Very high82 Ų8242.3 Ų42.338%0.38323%0.227SC..Hα-helixtrans-56.8-41.3176-174.4176.8-138.800110.2F346 S347 C352 L353 L354F346-E350 PolarHBondContact O-N 3.35Å; S347-E350 PolarHBondContact O-N 3.41Å; E350-C352 PolarHBondContact O-N 3.34Å; E350-L353 PolarHBondContact O-N 2.93Å; E350-L354 HydrophobicContact CG-CD1 4.04Å; E350-L354 HydrophobicContact CG-CG 4.44Å; E350-L354 WeakPolarHBondContact O-CB 3.49Å; E350-L354 VanDerWaalsContact O-CG 3.26Å; E350-L354 WeakPolarHBondContact O-CG 3.47Å; E350-L354 PolarHBondContact O-N 3.46Å
351Q89.9Confident89.9Confident38 Ų3838.2 Ų38.218%0.17821%0.205CC..Hα-helixtrans-62.8-40.3175-165-174.9-9.900112.9L233 S347 A348 M349 L353 L354 E355L233-Q351 HydrophobicContact CD1-CB 4.38Å; L233-Q351 HydrophobicContact CD1-CG 3.95Å; L233-Q351 HydrophobicContact CD2-CB 4.36Å; S347-Q351 PolarHBondContact O-N 2.9Å; A348-Q351 WeakPolarHBondContact O-CB 3.48Å; A348-Q351 PolarHBondContact O-N 2.69Å; M349-Q351 PolarHBondContact O-N 3.41Å; Q351-L353 VanDerWaalsContact C-N 3.31Å; Q351-L353 PolarHBondContact O-N 3.41Å; Q351-L354 PolarHBondContact O-N 2.94Å; Q351-E355 HydrophobicContact CG-CG 4.32Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.35Å; Q351-E355 PolarHBondContact NE2-OE1 3.45Å; Q351-E355 WeakPolarHBondContact O-CB 3.44Å; Q351-E355 WeakPolarHBondContact O-CG 3.23Å; Q351-E355 PolarHBondContact O-N 2.91Å
352C90.9Very high89.6Confident0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-61.6-38.3174.5-87.90000113.4L230 M234 A348 M349 E350 G356 H357 A358L230-C352 HydrophobicContact CG-CB 4.49Å; M234-C352 HydrophobicContact CE-CB 4.15Å; M234-C352 WeakPolarHBondContact CE-SG 3.3Å; A348-C352 PolarHBondContact O-N 3Å; A348-C352 VanDerWaalsContact O-N 3.07Å; M349-C352 WeakPolarHBondContact O-CB 3.19Å; M349-C352 PolarHBondContact O-N 3.19Å; E350-C352 PolarHBondContact O-N 3.34Å; C352-G356 PolarHBondContact O-N 3.17Å; C352-H357 HydrophobicContact CB-CB 4.46Å; C352-H357 PolarHBondContact O-N 2.85Å; C352-A358 PolarHBondContact O-N 3.39Å; C352-A358 VanDerWaalsContact O-N 3.14Å
353L85.8Confident89.5Confident24 Ų2436 Ų3613%0.12619%0.193CC..Hα-helixtrans-68.3-43.8174.7-67.9164.9000110.7L219 M349 E350 Q351 E355 G356 A358L219-L353 HydrophobicContact CD2-CG 4.5Å; M349-L353 PolarHBondContact O-N 3.45Å; E350-L353 PolarHBondContact O-N 2.93Å; Q351-L353 VanDerWaalsContact C-N 3.31Å; Q351-L353 PolarHBondContact O-N 3.41Å; L353-E355 PolarHBondContact O-N 3.15Å; L353-G356 PolarHBondContact O-N 3.01Å; L353-A358 HydrophobicContact CD2-CB 3.74Å; L353-A358 HydrophobicContact CG-CB 4.35Å
354L87.6Confident89.5Confident91 Ų9129.6 Ų29.648%0.47617%0.166SC..Hα-helixtrans-61.7-41.3178.4-77169.6000113.1W273 E350 Q351 G356W273-L354 HydrophobicContact CD2-CD2 4.38Å; W273-L354 HydrophobicContact CH2-CD2 3.38Å; W273-L354 HydrophobicContact CH2-CG 4.3Å; W273-L354 HydrophobicContact CZ2-CD2 3.2Å; W273-L354 HydrophobicContact CZ2-CG 4.45Å; W273-L354 HydrophobicContact CZ3-CD2 4.03Å; E350-L354 HydrophobicContact CG-CD1 4.04Å; E350-L354 HydrophobicContact CG-CG 4.44Å; E350-L354 WeakPolarHBondContact O-CB 3.49Å; E350-L354 VanDerWaalsContact O-CG 3.26Å; E350-L354 WeakPolarHBondContact O-CG 3.47Å; E350-L354 PolarHBondContact O-N 3.46Å; Q351-L354 PolarHBondContact O-N 2.94Å; L354-G356 PolarHBondContact O-N 2.81Å
355E91.8Very high89Confident99 Ų9932 Ų3246%0.46317%0.174SC..THydrogen-bonded Turntrans-81.3-2.2179.4-67.7-179-167.700112.9L233 Q351 L353 H357L233-E355 VanDerWaalsContact CD1-OE2 3.29Å; L233-E355 WeakPolarHBondContact CD1-OE2 3.34Å; Q351-E355 HydrophobicContact CG-CG 4.32Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.35Å; Q351-E355 PolarHBondContact NE2-OE1 3.45Å; Q351-E355 WeakPolarHBondContact O-CB 3.44Å; Q351-E355 WeakPolarHBondContact O-CG 3.23Å; Q351-E355 PolarHBondContact O-N 2.91Å; L353-E355 PolarHBondContact O-N 3.15Å; E355-H357 VanDerWaalsContact C-N 3.29Å; E355-H357 PolarHBondContact O-N 3.25Å; E355-H357 IonicContact OE2-CD2 3.3Å; E355-H357 IonicContact OE2-NE2 2.69Å; E355-H357 PolarHBondContact OE2-NE2 3.12Å
356G89.6Confident88.6Confident46 Ų4634.5 Ų34.547%0.47419%0.192SC..THydrogen-bonded Turntrans75.313.717800000114.5C352 L353 L354 A358C352-G356 PolarHBondContact O-N 3.17Å; L353-G356 PolarHBondContact O-N 3.01Å; L354-G356 PolarHBondContact O-N 2.81Å; G356-A358 VanDerWaalsContact C-N 3.3Å
357H94.5Very high88.5Confident38 Ų3835.5 Ų35.518%0.17620%0.197CC..SBendtrans-74.4-22.6173.2-59.1-26000112.4C221 D226 S229 L230 C352 E355C221-H357 PolarHBondContact SG-O 2.99Å; C221-H357 VanDerWaalsContact SG-O 3.38Å; D226-H357 WeakPolarHBondContact CB-O 3.29Å; S229-H357 WeakPolarHBondContact CB-ND1 3.49Å; L230-H357 HydrophobicContact CB-CB 4.25Å; C352-H357 HydrophobicContact CB-CB 4.46Å; C352-H357 PolarHBondContact O-N 2.85Å; E355-H357 VanDerWaalsContact C-N 3.29Å; E355-H357 PolarHBondContact O-N 3.25Å; E355-H357 IonicContact OE2-CD2 3.3Å; E355-H357 IonicContact OE2-NE2 2.69Å; E355-H357 PolarHBondContact OE2-NE2 3.12Å
358A91.2Very high88.3Confident5 Ų537.3 Ų37.34%0.04121%0.207CC..  trans-124.5142.616800000109.5L219 G220 L230 C352 L353 G356L219-A358 HydrophobicContact CB-CB 4.03Å; L219-A358 HydrophobicContact CD2-CB 3.65Å; L219-A358 HydrophobicContact CG-CB 4.48Å; G220-A358 CarbonylContact O-C 3.54Å; G220-A358 WeakPolarHBondContact O-CA 3.36Å; L230-A358 HydrophobicContact CD1-CB 4.18Å; C352-A358 PolarHBondContact O-N 3.39Å; C352-A358 VanDerWaalsContact O-N 3.14Å; L353-A358 HydrophobicContact CD2-CB 3.74Å; L353-A358 HydrophobicContact CG-CB 4.35Å; G356-A358 VanDerWaalsContact C-N 3.3Å
359A87.8Confident87.9Confident15 Ų1538.5 Ų38.512%0.12421%0.212CC..SBendtrans-87.1-30175.300000112.4G220 R222 T323G220-A359 PolarHBondContact O-N 2.74Å; R222-A359 HydrophobicContact CG-CB 4.11Å; T323-A359 HydrophobicContact CG2-CB 4.26Å
360D83.7Confident87.8Confident0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-159.3157.5-174-173.51.6000108.6L219 G220 I321 V322 T323L219-D360 WeakPolarHBondContact CA-O 3.48Å; G220-D360 PolarHBondContact N-O 3.38Å; I321-D360 HydrophobicContact CG2-CB 3.83Å; V322-D360 PolarHBondContact N-OD2 2.91Å; T323-D360 PolarHBondContact N-OD2 2.84Å; T323-D360 WeakPolarHBondContact OG1-CB 3.42Å; T323-D360 PolarHBondContact OG1-OD2 2.83Å
361G87.2Confident88Confident0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-161.2148.6-176.200000114.3L218 Y271L218-G361 CarbonylContact O-C 3.45Å; L218-G361 VanDerWaalsContact O-CA 3.25Å; L218-G361 WeakPolarHBondContact O-CA 3.49Å; Y271-G361 PolarHBondContact N-O 3.43Å
362V86.8Confident87.8Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-121.8144.1168.3-59.20000110.4A217 L218 A270 P320 I321 I373A217-V362 VanDerWaalsContact CA-O 3.29Å; A217-V362 WeakPolarHBondContact CA-O 3.47Å; L218-V362 HydrophobicContact CB-CG2 3.79Å; L218-V362 PolarHBondContact N-O 3.12Å; L218-V362 PolarHBondContact O-N 3.29Å; A270-V362 HydrophobicContact CB-CG1 3.98Å; P320-V362 HydrophobicContact CB-CG1 3.97Å; P320-V362 HydrophobicContact CB-CG2 3.91Å; P320-V362 HydrophobicContact CG-CG2 3.87Å; P320-V362 VanDerWaalsContact O-CG1 3.26Å; P320-V362 WeakPolarHBondContact O-CG1 3.25Å; I321-V362 HydrophobicContact CD1-CG1 4.35Å; I321-V362 HydrophobicContact CD1-CG2 4.45Å; V362-I373 HydrophobicContact CG2-CD1 4.01Å
363F87.2Confident87.7Confident16 Ų1642 Ų427%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-121.2130.4174.8-172.2-102.6000108.7N215 A217 Y271 T345 F346 M349 E365N215-F363 HydrophobicContact CB-CE2 3.81Å; N215-F363 HydrophobicContact CB-CZ 3.62Å; N215-F363 WeakPolarHBondContact OD1-CZ 3.28Å; A217-F363 HydrophobicContact CB-CD2 4.18Å; Y271-F363 HydrophobicContact CE2-CB 4.2Å; T345-F363 HydrophobicContact CG2-CE2 3.73Å; T345-F363 HydrophobicContact CG2-CZ 4.46Å; F346-F363 HydrophobicContact CD2-CD1 4.31Å; F346-F363 HydrophobicContact CD2-CG 4.28Å; M349-F363 HydrophobicContact CE-CB 4.26Å; M349-F363 HydrophobicContact CE-CD2 4.31Å; M349-F363 HydrophobicContact SD-CB 4.35Å; M349-F363 HydrophobicContact SD-CD2 3.38Å; M349-F363 WeakPolarHBondContact SD-CD2 3.37Å; M349-F363 HydrophobicContact SD-CE2 4.05Å; M349-F363 HydrophobicContact SD-CG 4.28Å; F363-E365 PolarHBondContact O-N 2.98Å
364A88.2Confident88Confident7 Ų741.1 Ų41.16%0.05822%0.217CC..  trans-69.7125.4177.300000110.4V216 Q369 A370 I373V216-A364 HydrophobicContact CB-CB 4.35Å; V216-A364 WeakPolarHBondContact O-CB 3.45Å; V216-A364 PolarHBondContact O-N 3.13Å; A364-Q369 HydrophobicContact CB-CB 3.92Å; A364-A370 HydrophobicContact CB-CB 3.88Å; A364-I373 HydrophobicContact CB-CD1 4.17Å
365E83.1Confident88.1Confident94 Ų9441.2 Ų41.244%0.43921%0.214SC..SBendtrans-95.21.4173.6-58.9-174.515000111.9K269 F363K269-E365 WeakPolarHBondContact CD-OE1 3.27Å; K269-E365 WeakPolarHBondContact CE-OE2 3.1Å; K269-E365 VanDerWaalsContact NZ-CD 3.26Å; K269-E365 IonicContact NZ-OE1 2.75Å; K269-E365 PolarHBondContact NZ-OE1 3.36Å; K269-E365 IonicContact NZ-OE2 2.77Å; K269-E365 PolarHBondContact NZ-OE2 3.09Å; F363-E365 PolarHBondContact O-N 2.98Å
366S85.3Confident88Confident54 Ų5436.6 Ų36.638%0.37819%0.192SC..SBendtrans-154.2157.1177.864.50000111.7T368 Q369 A370S366-T368 PolarHBondContact O-N 3.44Å; S366-Q369 PolarHBondContact O-N 2.89Å; S366-Q369 VanDerWaalsContact O-N 3.13Å; S366-Q369 PolarHBondContact OG-N 2.77Å; S366-A370 PolarHBondContact O-N 3.32Å
367E87Confident88.1Confident79 Ų7935.3 Ų35.337%0.36917%0.173SC..Hα-helixtrans-60.1-31.8174.7175.855.6-16100112.4R214 A370 R371R214-E367 IonicContact NH1-OE1 3.8Å; R214-E367 IonicContact NH1-OE2 3.31Å; R214-E367 PolarHBondContact NH1-OE2 3.01Å; E367-A370 PolarHBondContact O-N 2.95Å; E367-R371 WeakPolarHBondContact O-CG 3.29Å; E367-R371 PolarHBondContact O-N 3.33Å; E367-R371 IonicContact OE1-CZ 2.84Å; E367-R371 IonicContact OE1-NE 2.72Å; E367-R371 PolarHBondContact OE1-NE 3.35Å; E367-R371 IonicContact OE1-NH2 3.84Å; E367-R371 PolarHBondContact OE1-NH2 2.9Å
368T86.5Confident87.9Confident88 Ų8838.5 Ų38.554%0.5419%0.188SC..Hα-helixtrans-61.9-49.7173.5-570000111.1S366 A370 R371 E372S366-T368 PolarHBondContact O-N 3.44Å; T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.41Å; T368-R371 PolarHBondContact O-N 2.94Å; T368-E372 WeakPolarHBondContact O-CG 3.2Å; T368-E372 PolarHBondContact O-N 3.43Å
369Q84.9Confident87.9Confident27 Ų2739.2 Ų39.213%0.12619%0.191CC..Hα-helixtrans-62.9-38.3177.2-79174.4-21.700112.1T267 Y268 A364 S366 E372 I373T267-Q369 PolarHBondContact O-NE2 3.18Å; Y268-Q369 HydrophobicContact CD1-CB 4.39Å; Y268-Q369 HydrophobicContact CD1-CG 4.22Å; Y268-Q369 HydrophobicContact CE1-CB 3.73Å; Y268-Q369 HydrophobicContact CE1-CG 3.88Å; Y268-Q369 PolarHBondContact OH-O 2.95Å; Y268-Q369 VanDerWaalsContact OH-O 3.05Å; A364-Q369 HydrophobicContact CB-CB 3.92Å; S366-Q369 PolarHBondContact O-N 2.89Å; S366-Q369 VanDerWaalsContact O-N 3.13Å; S366-Q369 PolarHBondContact OG-N 2.77Å; Q369-E372 PolarHBondContact O-N 2.87Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 2.63Å
370A89.2Confident88.2Confident2 Ų238.5 Ų38.52%0.01719%0.185CC..Hα-helixtrans-60.8-45.1176.500000111.5V216 A364 S366 E367 T368 I373 W374V216-A370 HydrophobicContact CB-CB 3.88Å; V216-A370 HydrophobicContact CG2-CB 3.74Å; A364-A370 HydrophobicContact CB-CB 3.88Å; S366-A370 PolarHBondContact O-N 3.32Å; E367-A370 PolarHBondContact O-N 2.95Å; T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.41Å; A370-I373 PolarHBondContact O-N 3.15Å; A370-W374 PolarHBondContact O-N 3.01Å
371R89Confident88.5Confident150 Ų15040.9 Ų40.957%0.56620%0.202SC*.Hα-helixtrans-63.8-41.4174.3-70.6175.9-166178.24.2112.4E367 T368 I373 W374 K375E367-R371 WeakPolarHBondContact O-CG 3.29Å; E367-R371 PolarHBondContact O-N 3.33Å; E367-R371 IonicContact OE1-CZ 2.84Å; E367-R371 IonicContact OE1-NE 2.72Å; E367-R371 PolarHBondContact OE1-NE 3.35Å; E367-R371 IonicContact OE1-NH2 3.84Å; E367-R371 PolarHBondContact OE1-NH2 2.9Å; T368-R371 PolarHBondContact O-N 2.94Å; R371-I373 VanDerWaalsContact C-N 3.35Å; R371-W374 PolarHBondContact O-N 3.07Å; R371-K375 WeakPolarHBondContact O-CG 3.3Å; R371-K375 PolarHBondContact O-N 3.38Å
372E85.9Confident88.7Confident46 Ų4645 Ų4522%0.21522%0.221CC..Hα-helixtrans-64.3-37.3178-77.1174.5-178.400112.5L266 Y268 T368 Q369 K375L266-E372 HydrophobicContact CD2-CB 3.69Å; L266-E372 HydrophobicContact CD2-CG 4.36Å; Y268-E372 WeakPolarHBondContact OH-CB 3.48Å; Y268-E372 PolarHBondContact OH-OE2 3.31Å; T368-E372 WeakPolarHBondContact O-CG 3.2Å; T368-E372 PolarHBondContact O-N 3.43Å; Q369-E372 PolarHBondContact O-N 2.87Å; E372-K375 PolarHBondContact O-N 3.1Å
373I89.2Confident89.1Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-64.5-46.3171.6-68.9170000110.2V216 L218 Y268 L330 V362 A364 Q369 A370 R371 K375 L376V216-I373 HydrophobicContact CG1-CB 3.88Å; V216-I373 HydrophobicContact CG1-CD1 4.12Å; V216-I373 HydrophobicContact CG1-CG2 3.63Å; L218-I373 HydrophobicContact CB-CG2 3.99Å; Y268-I373 HydrophobicContact CD1-CD1 4.43Å; Y268-I373 HydrophobicContact CE1-CD1 3.74Å; Y268-I373 HydrophobicContact CE1-CG1 3.57Å; Y268-I373 PolarHBondContact OH-N 3.19Å; L330-I373 HydrophobicContact CD1-CG2 3.75Å; L330-I373 HydrophobicContact CG-CG2 4.09Å; V362-I373 HydrophobicContact CG2-CD1 4.01Å; A364-I373 HydrophobicContact CB-CD1 4.17Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 2.63Å; A370-I373 PolarHBondContact O-N 3.15Å; R371-I373 VanDerWaalsContact C-N 3.35Å; I373-K375 VanDerWaalsContact C-N 3.3Å; I373-K375 PolarHBondContact O-N 2.66Å; I373-L376 VanDerWaalsContact O-CB 3.28Å; I373-L376 WeakPolarHBondContact O-CB 3.34Å; I373-L376 PolarHBondContact O-N 3Å; I373-L376 VanDerWaalsContact O-N 3.13Å
374W91.6Very high89.4Confident7 Ų744.3 Ų44.33%0.02722%0.218CC..Hα-helixtrans-61.5-36.4178.5-93.599.1000113.5L144 E246 L330 E332 A370 R371 L376 R377 E378L144-W374 HydrophobicContact CB-CH2 4.3Å; L144-W374 HydrophobicContact CD1-CE3 4.49Å; L144-W374 HydrophobicContact CD1-CH2 4.1Å; L144-W374 HydrophobicContact CD1-CZ3 3.87Å; L144-W374 HydrophobicContact CD2-CH2 4Å; L144-W374 HydrophobicContact CD2-CZ3 3.77Å; L144-W374 HydrophobicContact CG-CH2 4.36Å; L144-W374 HydrophobicContact CG-CZ3 4.33Å; E246-W374 HydrophobicContact CG-CH2 3.73Å; E246-W374 HydrophobicContact CG-CZ3 3.96Å; L330-W374 HydrophobicContact CD1-CD2 3.87Å; L330-W374 HydrophobicContact CD1-CE3 4.08Å; L330-W374 HydrophobicContact CD1-CG 4.13Å; L330-W374 HydrophobicContact CD2-CD2 4.12Å; L330-W374 HydrophobicContact CD2-CH2 4.01Å; L330-W374 HydrophobicContact CD2-CZ2 3.55Å; L330-W374 HydrophobicContact CD2-CZ3 4.45Å; E332-W374 HydrophobicContact CB-CZ2 4.15Å; E332-W374 PolarHBondContact OE2-NE1 2.8Å; A370-W374 PolarHBondContact O-N 3.01Å; R371-W374 PolarHBondContact O-N 3.07Å; W374-L376 PolarHBondContact O-N 3.02Å; W374-L376 VanDerWaalsContact O-N 3.16Å; W374-R377 HydrophobicContact CE3-CB 4.33Å; W374-R377 HydrophobicContact CE3-CG 4.21Å; W374-R377 HydrophobicContact CZ3-CG 4.05Å; W374-R377 WeakPolarHBondContact O-CA 3.44Å; W374-R377 WeakPolarHBondContact O-CB 3.34Å; W374-R377 PolarHBondContact O-N 2.9Å; W374-E378 HydrophobicContact CE3-CG 4.34Å; W374-E378 WeakPolarHBondContact O-CG 3.47Å; W374-E378 PolarHBondContact O-N 3.35Å
375K90Very high89.6Confident93 Ų9346 Ų4640%0.40424%0.236SC..Hα-helixtrans-54.9-34.7174.8-79.5177.5179.6-179.30112.6R371 E372 I373 R377 E378 L379R371-K375 WeakPolarHBondContact O-CG 3.3Å; R371-K375 PolarHBondContact O-N 3.38Å; E372-K375 PolarHBondContact O-N 3.1Å; I373-K375 VanDerWaalsContact C-N 3.3Å; I373-K375 PolarHBondContact O-N 2.66Å; K375-R377 VanDerWaalsContact C-N 3.25Å; K375-R377 PolarHBondContact O-N 2.92Å; K375-E378 PolarHBondContact O-N 2.82Å; K375-L379 HydrophobicContact CB-CD1 4.28Å; K375-L379 WeakPolarHBondContact O-CB 3.23Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 2.94Å
376L89.7Confident90.1Very high2 Ų246.6 Ų46.61%0.0124%0.238CC..Hα-helixtrans-56.6-43.5175.2-65.8168.9000111.4L218 L253 V264 L266 N318 P320 I373 W374 I380L218-L376 HydrophobicContact CD2-CD1 3.91Å; L253-L376 HydrophobicContact CD2-CB 4.45Å; V264-L376 HydrophobicContact CG1-CD2 3.43Å; V264-L376 VanDerWaalsContact CG1-CD2 3.43Å; V264-L376 HydrophobicContact CG1-CG 4.38Å; V264-L376 HydrophobicContact CG2-CD2 4.34Å; L266-L376 HydrophobicContact CD1-CD1 4.16Å; L266-L376 HydrophobicContact CD1-CD2 4.34Å; N318-L376 WeakPolarHBondContact O-CD2 3.29Å; P320-L376 HydrophobicContact CG-CD1 3.99Å; I373-L376 VanDerWaalsContact O-CB 3.28Å; I373-L376 WeakPolarHBondContact O-CB 3.34Å; I373-L376 PolarHBondContact O-N 3Å; I373-L376 VanDerWaalsContact O-N 3.13Å; W374-L376 PolarHBondContact O-N 3.02Å; W374-L376 VanDerWaalsContact O-N 3.16Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å
377R91.9Very high90.5Very high18 Ų1844.6 Ų44.67%0.06822%0.224CC..Hα-helixtrans-77.1-39.4-179.6171.158.9-173.4776.5112.6E246 M248 L330 W374 K375 H425E246-R377 HydrophobicContact CB-CG 4.26Å; E246-R377 HydrophobicContact CG-CG 4.27Å; E246-R377 IonicContact OE2-CZ 3.36Å; E246-R377 VanDerWaalsContact OE2-CZ 3.24Å; E246-R377 IonicContact OE2-NE 3.67Å; E246-R377 PolarHBondContact OE2-NE 2.98Å; E246-R377 IonicContact OE2-NH2 3.79Å; E246-R377 PolarHBondContact OE2-NH2 3.35Å; M248-R377 HydrophobicContact CE-CB 4.46Å; M248-R377 HydrophobicContact SD-CB 3.74Å; M248-R377 HydrophobicContact SD-CG 4.39Å; L330-R377 HydrophobicContact CD1-CB 4.03Å; W374-R377 HydrophobicContact CE3-CB 4.33Å; W374-R377 HydrophobicContact CE3-CG 4.21Å; W374-R377 HydrophobicContact CZ3-CG 4.05Å; W374-R377 WeakPolarHBondContact O-CA 3.44Å; W374-R377 WeakPolarHBondContact O-CB 3.34Å; W374-R377 PolarHBondContact O-N 2.9Å; K375-R377 VanDerWaalsContact C-N 3.25Å; K375-R377 PolarHBondContact O-N 2.92Å; R377-H425 PolarHBondContact NH2-CE1 2.93Å; R377-H425 VanDerWaalsContact NH2-CE1 3.29Å
378E90.2Very high90.9Very high105 Ų10542.1 Ų42.149%0.49122%0.219SC..Hα-helixtrans-71.6-37.3-177.2-68.7179.813300112.3W374 K375 I380W374-E378 HydrophobicContact CE3-CG 4.34Å; W374-E378 WeakPolarHBondContact O-CG 3.47Å; W374-E378 PolarHBondContact O-N 3.35Å; K375-E378 PolarHBondContact O-N 2.82Å; E378-I380 VanDerWaalsContact C-N 3.27Å; E378-I380 PolarHBondContact O-N 3.49Å
379L91.2Very high91.3Very high20 Ų2042 Ų4211%0.10521%0.21CC..THydrogen-bonded Turntrans-76.6-8.7-176.4-68.3176.1000114.1V256 L260 Q263 V264 K375 S381 E382 A383V256-L379 HydrophobicContact CG1-CB 4.48Å; V256-L379 HydrophobicContact CG2-CB 4.46Å; L260-L379 HydrophobicContact CD1-CB 3.87Å; L260-L379 HydrophobicContact CD1-CD2 4.26Å; L260-L379 HydrophobicContact CD1-CG 4.45Å; Q263-L379 HydrophobicContact CB-CD1 3.97Å; V264-L379 HydrophobicContact CG2-CD1 3.77Å; K375-L379 HydrophobicContact CB-CD1 4.28Å; K375-L379 WeakPolarHBondContact O-CB 3.23Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 2.94Å; L379-S381 PolarHBondContact O-N 2.86Å; L379-E382 PolarHBondContact O-N 3.13Å; L379-A383 WeakPolarHBondContact O-CB 3.16Å; L379-A383 PolarHBondContact O-N 3.11Å
380I94.1Very high91.8Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-59-46.2-175.4-64.2172.2000111.8M248 C252 V256 L376 E378 E382 A383 F384 F423M248-I380 HydrophobicContact CB-CD1 4.22Å; M248-I380 HydrophobicContact CG-CD1 3.5Å; M248-I380 VanDerWaalsContact CG-CD1 3.5Å; M248-I380 HydrophobicContact SD-CD1 3.55Å; M248-I380 VanDerWaalsContact SD-CD1 3.55Å; C252-I380 HydrophobicContact CB-CD1 3.77Å; C252-I380 HydrophobicContact CB-CG1 4.11Å; C252-I380 HydrophobicContact CB-CG2 3.89Å; V256-I380 HydrophobicContact CG2-CB 4.48Å; V256-I380 HydrophobicContact CG2-CG1 3.91Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å; E378-I380 VanDerWaalsContact C-N 3.27Å; E378-I380 PolarHBondContact O-N 3.49Å; I380-E382 VanDerWaalsContact C-N 3.28Å; I380-E382 PolarHBondContact O-N 3.35Å; I380-A383 PolarHBondContact O-N 3.31Å; I380-F384 HydrophobicContact CG2-CD2 3.44Å; I380-F384 VanDerWaalsContact CG2-CD2 3.44Å; I380-F384 HydrophobicContact CG2-CE2 3.29Å; I380-F384 VanDerWaalsContact O-CD2 3.28Å; I380-F384 WeakPolarHBondContact O-CD2 3.47Å; I380-F384 PolarHBondContact O-N 3.32Å; I380-F423 HydrophobicContact CB-CD1 4.13Å; I380-F423 HydrophobicContact CB-CE1 4.17Å; I380-F423 HydrophobicContact CB-CG 4.47Å; I380-F423 HydrophobicContact CD1-CB 3.96Å; I380-F423 HydrophobicContact CD1-CD1 4.45Å; I380-F423 HydrophobicContact CD1-CG 4.12Å; I380-F423 HydrophobicContact CG2-CD1 3.28Å; I380-F423 HydrophobicContact CG2-CE1 3.45Å; I380-F423 VanDerWaalsContact CG2-CE1 3.45Å; I380-F423 HydrophobicContact CG2-CG 4Å; I380-F423 HydrophobicContact CG2-CZ 4.29Å
381S90.5Very high92.1Very high51 Ų5142 Ų4236%0.35721%0.21SC..Hα-helixtrans-63.5-35.9-176.7-169.90000112.4L379 G385 K392L379-S381 PolarHBondContact O-N 2.86Å; S381-G385 PolarHBondContact O-N 3.33Å; S381-K392 PolarHBondContact O-NZ 3.12Å; S381-K392 VanDerWaalsContact O-NZ 3.1Å; S381-K392 PolarHBondContact OG-NZ 2.75Å
382E90.9Very high92.3Very high87 Ų8739.6 Ų39.641%0.40720%0.203SC..Hα-helixtrans-69.7-47173.4-178.2-179.3154.900110.6L260 L379 I380 F384 G385 H386L260-E382 HydrophobicContact CD1-CB 4.14Å; L260-E382 HydrophobicContact CD1-CG 4.03Å; L379-E382 PolarHBondContact O-N 3.13Å; I380-E382 VanDerWaalsContact C-N 3.28Å; I380-E382 PolarHBondContact O-N 3.35Å; E382-F384 PolarHBondContact O-N 2.67Å; E382-G385 WeakPolarHBondContact O-CA 3.31Å; E382-G385 PolarHBondContact O-N 3.25Å; E382-H386 PolarHBondContact O-CD2 2.79Å; E382-H386 PolarHBondContact O-N 2.69Å; E382-H386 IonicContact OE1-NE2 2.77Å
383A94.5Very high92.8Very high0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-56.6-47.4179.600000112.3C255 V256 L260 L379 I380 G385 H386 D387C255-A383 HydrophobicContact CB-CB 4.29Å; C255-A383 PolarHBondContact SG-O 2.85Å; V256-A383 HydrophobicContact CB-CB 4.39Å; V256-A383 HydrophobicContact CG2-CB 3.78Å; L260-A383 HydrophobicContact CD1-CB 3.88Å; L260-A383 HydrophobicContact CG-CB 4.41Å; L379-A383 WeakPolarHBondContact O-CB 3.16Å; L379-A383 PolarHBondContact O-N 3.11Å; I380-A383 PolarHBondContact O-N 3.31Å; A383-G385 PolarHBondContact O-N 2.9Å; A383-H386 PolarHBondContact O-N 3.29Å; A383-D387 PolarHBondContact O-N 2.99Å
384F94.8Very high93.2Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-62.7-29.7176-81.8-76.8000112.6C252 I380 E382 H386 D387 N390 R419 F423 N434 V436C252-F384 HydrophobicContact CB-CE2 4.39Å; I380-F384 HydrophobicContact CG2-CD2 3.44Å; I380-F384 VanDerWaalsContact CG2-CD2 3.44Å; I380-F384 HydrophobicContact CG2-CE2 3.29Å; I380-F384 VanDerWaalsContact O-CD2 3.28Å; I380-F384 WeakPolarHBondContact O-CD2 3.47Å; I380-F384 PolarHBondContact O-N 3.32Å; E382-F384 PolarHBondContact O-N 2.67Å; F384-H386 VanDerWaalsContact C-N 3.26Å; F384-H386 PolarHBondContact O-N 2.96Å; F384-D387 PolarHBondContact O-N 3.32Å; F384-N390 VanDerWaalsContact CB-ND2 3.26Å; F384-N390 WeakPolarHBondContact CB-ND2 3.35Å; F384-R419 HydrophobicContact CE1-CG 3.93Å; F384-F423 HydrophobicContact CE2-CD1 4.32Å; F384-F423 HydrophobicContact CE2-CE1 4.46Å; F384-N434 HydrophobicContact CD1-CB 3.96Å; F384-N434 HydrophobicContact CD2-CB 4.1Å; F384-N434 HydrophobicContact CE1-CB 3.94Å; F384-N434 HydrophobicContact CE2-CB 4.14Å; F384-N434 HydrophobicContact CG-CB 4.03Å; F384-N434 HydrophobicContact CZ-CB 4.06Å; F384-V436 HydrophobicContact CB-CG2 4.27Å; F384-V436 HydrophobicContact CD1-CG2 3.56Å; F384-V436 HydrophobicContact CE1-CG2 4.37Å; F384-V436 HydrophobicContact CG-CG2 4.38Å
385G91.4Very high93.5Very high42 Ų4237.5 Ų37.543%0.43319%0.194SC..Hα-helixtrans-68.5-24.4174.400000113.5S381 E382 A383S381-G385 PolarHBondContact O-N 3.33Å; E382-G385 WeakPolarHBondContact O-CA 3.31Å; E382-G385 PolarHBondContact O-N 3.25Å; A383-G385 PolarHBondContact O-N 2.9Å
386H93.7Very high93.8Very high107 Ų10734.8 Ų34.850%0.49519%0.186SC..Hα-helixtrans-86.4-18.3173.8-70-54.1000113.7H259 E382 A383 F384 G388H259-H386 HydrophobicContact CB-CB 3.9Å; H259-H386 PolarHBondContact CE1-O 2.88Å; E382-H386 PolarHBondContact O-CD2 2.79Å; E382-H386 PolarHBondContact O-N 2.69Å; E382-H386 IonicContact OE1-NE2 2.77Å; A383-H386 PolarHBondContact O-N 3.29Å; F384-H386 VanDerWaalsContact C-N 3.26Å; F384-H386 PolarHBondContact O-N 2.96Å; H386-G388 VanDerWaalsContact C-N 3.3Å; H386-G388 PolarHBondContact O-N 3.36Å
387D94.2Very high94.2Very high13 Ų1335 Ų357%0.0719%0.188CC..SBendtrans-80.6-10.8-177.6-145.525.2000113.4K258 H259 A383 F384 R419 V436K258-D387 IonicContact NZ-OD1 3.63Å; K258-D387 PolarHBondContact NZ-OD1 3.25Å; H259-D387 IonicContact CD2-OD1 2.91Å; H259-D387 IonicContact CE1-OD1 3.5Å; H259-D387 VanDerWaalsContact NE2-CA 3.33Å; H259-D387 WeakPolarHBondContact NE2-CA 3.11Å; H259-D387 WeakPolarHBondContact NE2-CB 3.38Å; H259-D387 VanDerWaalsContact NE2-CG 3.34Å; H259-D387 IonicContact NE2-OD1 3.81Å; H259-D387 PolarHBondContact NE2-OD1 3Å; A383-D387 PolarHBondContact O-N 2.99Å; F384-D387 PolarHBondContact O-N 3.32Å; D387-R419 IonicContact OD2-CZ 3.62Å; D387-R419 IonicContact OD2-NE 3.75Å; D387-R419 PolarHBondContact OD2-NE 3.24Å; D387-R419 IonicContact OD2-NH2 3.52Å; D387-V436 HydrophobicContact CB-CG1 4.2Å
388G95.1Very high94.4Very high27 Ų2736.3 Ų36.328%0.27820%0.198SC..SBendtrans152.1-156.5178.800000112.2H386 N390 T437H386-G388 VanDerWaalsContact C-N 3.3Å; H386-G388 PolarHBondContact O-N 3.36Å; G388-N390 PolarHBondContact O-N 2.99Å; G388-T437 CarbonylContact C-O 3.38Å; G388-T437 WeakPolarHBondContact CA-O 3.17Å
389Y94.7Very high94.7Very high85 Ų8534.5 Ų34.533%0.33319%0.191SC..EExtended strand (participates in β ladder)trans-79.1118.1169.4-170.8-88.7000110Y391 V436 T437Y389-Y391 HydrophobicContact CD1-CD1 4.22Å; Y389-Y391 HydrophobicContact CD1-CD2 4.26Å; Y389-Y391 AromaticContact CD1-CE1 3.77Å; Y389-Y391 HydrophobicContact CD1-CE1 3.77Å; Y389-Y391 AromaticContact CD1-CE2 3.82Å; Y389-Y391 HydrophobicContact CD1-CE2 3.82Å; Y389-Y391 HydrophobicContact CD1-CG 4.44Å; Y389-Y391 AromaticContact CD1-CZ 3.55Å; Y389-Y391 AromaticContact CE1-CD1 3.74Å; Y389-Y391 HydrophobicContact CE1-CD1 3.74Å; Y389-Y391 AromaticContact CE1-CE1 3.35Å; Y389-Y391 HydrophobicContact CE1-CE1 3.35Å; Y389-Y391 HydrophobicContact CE1-CE2 4.27Å; Y389-Y391 HydrophobicContact CE1-CG 4.33Å; Y389-Y391 AromaticContact CE1-CZ 3.65Å; Y389-V436 WeakPolarHBondContact O-CA 3.38Å; Y389-T437 PolarHBondContact N-O 3.47Å; Y389-T437 PolarHBondContact O-N 2.71Å
390N95.3Very high94.8Very high20 Ų2039.3 Ų39.311%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-102.8114.6-173.9-178.49.3000112.3F384 G388 K392 N434 V436F384-N390 VanDerWaalsContact CB-ND2 3.26Å; F384-N390 WeakPolarHBondContact CB-ND2 3.35Å; G388-N390 PolarHBondContact O-N 2.99Å; N390-K392 WeakPolarHBondContact ND2-CE 3.44Å; N390-K392 PolarHBondContact ND2-NZ 3.32Å; N390-N434 PolarHBondContact ND2-OD1 3.42Å; N390-N434 WeakPolarHBondContact OD1-CB 3.5Å; N390-N434 PolarHBondContact OD1-OD1 2.89Å; N390-V436 HydrophobicContact CB-CG2 3.96Å
391Y95.2Very high95Very high9 Ų943 Ų434%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-82.4111.7166.8-54.9-82.8000109.4Y389 I435 T437 S441 K445 M448Y389-Y391 HydrophobicContact CD1-CD1 4.22Å; Y389-Y391 HydrophobicContact CD1-CD2 4.26Å; Y389-Y391 AromaticContact CD1-CE1 3.77Å; Y389-Y391 HydrophobicContact CD1-CE1 3.77Å; Y389-Y391 AromaticContact CD1-CE2 3.82Å; Y389-Y391 HydrophobicContact CD1-CE2 3.82Å; Y389-Y391 HydrophobicContact CD1-CG 4.44Å; Y389-Y391 AromaticContact CD1-CZ 3.55Å; Y389-Y391 AromaticContact CE1-CD1 3.74Å; Y389-Y391 HydrophobicContact CE1-CD1 3.74Å; Y389-Y391 AromaticContact CE1-CE1 3.35Å; Y389-Y391 HydrophobicContact CE1-CE1 3.35Å; Y389-Y391 HydrophobicContact CE1-CE2 4.27Å; Y389-Y391 HydrophobicContact CE1-CG 4.33Å; Y389-Y391 AromaticContact CE1-CZ 3.65Å; Y391-I435 VanDerWaalsContact CD2-O 3.32Å; Y391-I435 WeakPolarHBondContact CD2-O 3.33Å; Y391-I435 PolarHBondContact N-O 3.36Å; Y391-I435 PolarHBondContact O-N 2.87Å; Y391-T437 HydrophobicContact CD2-CG2 4.37Å; Y391-T437 HydrophobicContact CE2-CG2 3.78Å; Y391-T437 WeakPolarHBondContact CE2-OG1 3.39Å; Y391-S441 PolarHBondContact OH-N 3.26Å; Y391-S441 PolarHBondContact OH-O 3.43Å; Y391-K445 HydrophobicContact CD1-CB 4.18Å; Y391-K445 HydrophobicContact CD1-CD 4.31Å; Y391-K445 HydrophobicContact CD1-CG 4.13Å; Y391-K445 HydrophobicContact CE1-CB 3.63Å; Y391-K445 HydrophobicContact CE1-CD 4.16Å; Y391-K445 HydrophobicContact CE1-CG 4.02Å; Y391-M448 HydrophobicContact CD2-SD 3.69Å; Y391-M448 HydrophobicContact CE2-SD 4.1Å; Y391-M448 HydrophobicContact CG-SD 4.03Å
392K95Very high95.3Very high100 Ų10040.6 Ų40.644%0.43522%0.216SC..EExtended strand (participates in β ladder)trans-102.7132.8-174.9-53.7-173.4-173.7-122.40111.4S381 N390S381-K392 PolarHBondContact O-NZ 3.12Å; S381-K392 VanDerWaalsContact O-NZ 3.1Å; S381-K392 PolarHBondContact OG-NZ 2.75Å; N390-K392 WeakPolarHBondContact ND2-CE 3.44Å; N390-K392 PolarHBondContact ND2-NZ 3.32Å
393Y96.6Very high95.7Very high5 Ų536.8 Ų36.82%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-128.2125.4176.6-58.2-84.9000110.1H432 L433 I435 M448 D449 V452 Y453Y393-H432 CarbonylContact O-C 3.54Å; Y393-H432 WeakPolarHBondContact O-CA 3.26Å; Y393-L433 HydrophobicContact CD2-CD2 4.13Å; Y393-L433 HydrophobicContact CD2-CG 4.23Å; Y393-L433 PolarHBondContact N-O 2.94Å; Y393-L433 PolarHBondContact O-N 3Å; Y393-I435 HydrophobicContact CE2-CD1 4.09Å; Y393-M448 VanDerWaalsContact OH-CB 3.25Å; Y393-M448 WeakPolarHBondContact OH-CB 3.36Å; Y393-D449 VanDerWaalsContact CE1-OD1 3.25Å; Y393-D449 WeakPolarHBondContact CE1-OD1 3.32Å; Y393-D449 PolarHBondContact OH-N 2.94Å; Y393-D449 PolarHBondContact OH-OD1 2.62Å; Y393-V452 HydrophobicContact CD1-CB 4.2Å; Y393-V452 HydrophobicContact CD1-CG1 3.67Å; Y393-V452 HydrophobicContact CD2-CG1 4.4Å; Y393-V452 HydrophobicContact CD2-CG2 4.41Å; Y393-V452 HydrophobicContact CE1-CB 4.17Å; Y393-V452 HydrophobicContact CE1-CG1 4.16Å; Y393-V452 HydrophobicContact CE1-CG2 4.41Å; Y393-V452 HydrophobicContact CE2-CG2 4.24Å; Y393-V452 HydrophobicContact CG-CG1 3.82Å; Y393-Y453 AromaticContact CD1-CE1 3.96Å; Y393-Y453 HydrophobicContact CD1-CE1 3.96Å; Y393-Y453 AromaticContact CD1-CZ 3.87Å; Y393-Y453 HydrophobicContact CE1-CE1 4.45Å; Y393-Y453 HydrophobicContact CE1-CE2 4.28Å
394D96.2Very high95.9Very high4 Ų437.9 Ų37.92%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-106.5110.3175.4165.947.3000108.5N430 H432 I463 S464 A465 E466 H467 K473D394-N430 PolarHBondContact OD1-ND2 2.8Å; D394-N430 PolarHBondContact OD1-OD1 3.45Å; D394-H432 IonicContact OD1-CE1 3.43Å; D394-H432 IonicContact OD1-ND1 3.71Å; D394-I463 CarbonylContact O-C 3.47Å; D394-I463 VanDerWaalsContact O-O 3.04Å; D394-S464 VanDerWaalsContact O-CA 3.3Å; D394-S464 WeakPolarHBondContact O-CA 3.18Å; D394-A465 WeakPolarHBondContact OD1-CB 3.4Å; D394-A465 PolarHBondContact OD2-N 3.4Å; D394-E466 PolarHBondContact OD2-N 3.4Å; D394-H467 WeakPolarHBondContact CB-ND1 3.41Å; D394-H467 IonicContact OD2-CG 2.83Å; D394-H467 PolarHBondContact OD2-N 2.77Å; D394-H467 IonicContact OD2-ND1 3.24Å; D394-K473 PolarHBondContact O-NZ 3.49Å
395L97.5Very high96Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-133.1148.7-167.6-50171.6000111.3I405 N430 I431 V452 Y453 T456 S462L395-I405 HydrophobicContact CD1-CD1 3.54Å; L395-N430 CarbonylContact O-C 3.58Å; L395-N430 VanDerWaalsContact O-CA 3.3Å; L395-N430 WeakPolarHBondContact O-CA 3.44Å; L395-N430 PolarHBondContact O-ND2 2.96Å; L395-I431 HydrophobicContact CB-CG2 3.91Å; L395-I431 HydrophobicContact CD1-CG2 4.47Å; L395-I431 PolarHBondContact N-O 2.86Å; L395-I431 PolarHBondContact O-N 2.97Å; L395-V452 HydrophobicContact CD1-CG1 3.76Å; L395-V452 HydrophobicContact CD2-CG1 4.27Å; L395-Y453 HydrophobicContact CD2-CD1 4.35Å; L395-Y453 HydrophobicContact CD2-CE1 4.31Å; L395-T456 HydrophobicContact CD2-CG2 4.36Å; L395-S462 WeakPolarHBondContact CA-O 3.41Å
396S97.5Very high96.4Very high36 Ų3635.9 Ų35.925%0.25219%0.186SC..EExtended strand (participates in β ladder)trans-106.5132163.3-50.70000109.8G429 G461 S462 A465S396-G429 CarbonylContact C-O 3.19Å; S396-G429 VanDerWaalsContact CA-O 3.25Å; S396-G429 WeakPolarHBondContact CA-O 3.44Å; S396-G461 CarbonylContact O-C 3.43Å; S396-G461 WeakPolarHBondContact O-CA 3.5Å; S396-S462 PolarHBondContact N-O 2.69Å; S396-S462 PolarHBondContact O-N 3.33Å; S396-A465 WeakPolarHBondContact OG-CA 3.4Å; S396-A465 WeakPolarHBondContact OG-CB 3.49Å
397L97.9Very high96.6Very high7 Ų736.3 Ų36.34%0.03719%0.188CC..  trans-134.3149-178.9-67.2176.3000111.2I405 G429 I431 W455 T456L397-I405 HydrophobicContact CD1-CB 4.13Å; L397-I405 HydrophobicContact CD1-CD1 4.48Å; L397-I405 HydrophobicContact CD1-CG2 3.76Å; L397-G429 PolarHBondContact N-O 2.9Å; L397-I431 HydrophobicContact CD1-CG2 3.86Å; L397-I431 HydrophobicContact CG-CG2 4.32Å; L397-W455 HydrophobicContact CD1-CH2 4.47Å; L397-W455 HydrophobicContact CD1-CZ3 3.84Å; L397-W455 HydrophobicContact CD2-CE3 4.42Å; L397-W455 HydrophobicContact CD2-CZ3 3.74Å; L397-W455 HydrophobicContact CG-CZ3 4.47Å; L397-T456 HydrophobicContact CD2-CG2 3.94Å
398P97Very high96.8Very high45 Ų4539.5 Ų39.529%0.29220%0.203SC..  trans-53.8143.1166.1-25.335.3000111.3N400 K401 Y402 N459P398-N400 VanDerWaalsContact C-N 3.25Å; P398-N400 WeakPolarHBondContact CB-OD1 3.47Å; P398-N400 PolarHBondContact O-N 3.34Å; P398-N400 VanDerWaalsContact O-N 3.14Å; P398-K401 CarbonylContact O-C 3.58Å; P398-K401 WeakPolarHBondContact O-CA 3.12Å; P398-K401 PolarHBondContact O-N 3.38Å; P398-Y402 PolarHBondContact O-N 3.3Å; P398-N459 WeakPolarHBondContact CD-O 3.46Å; P398-N459 WeakPolarHBondContact CG-O 3.43Å
399M95.6Very high96.9Very high67 Ų6738.2 Ų38.233%0.3319%0.19SC..G310 helixtrans-55.7-38-173.3-64.9-61161.400113.5F224 L228 K401 Y402 L426 G429F224-M399 WeakPolarHBondContact CE1-O 3.46Å; L228-M399 HydrophobicContact CD2-CB 4.07Å; M399-K401 PolarHBondContact O-N 3.34Å; M399-Y402 WeakPolarHBondContact O-CB 3.42Å; M399-Y402 PolarHBondContact O-N 2.8Å; M399-L426 WeakPolarHBondContact CE-O 3.39Å; M399-L426 HydrophobicContact SD-CD1 4.2Å; M399-G429 VanDerWaalsContact CE-N 3.33Å
400N94.1Very high97.1Very high121 Ų12137.8 Ų37.865%0.64719%0.187SC*.G310 helixtrans-73.1-5.9177.667.8-33.4000114.4P398P398-N400 VanDerWaalsContact C-N 3.25Å; P398-N400 WeakPolarHBondContact CB-OD1 3.47Å; P398-N400 PolarHBondContact O-N 3.34Å; P398-N400 VanDerWaalsContact O-N 3.14Å
401K97Very high97.2Very high77 Ų7743.1 Ų43.134%0.33522%0.216SC..G310 helixtrans-118.6-8.1178.3-65.7-61.4-173.3173.90113P398 M399 Y403 A404 W455 N459P398-K401 CarbonylContact O-C 3.58Å; P398-K401 WeakPolarHBondContact O-CA 3.12Å; P398-K401 PolarHBondContact O-N 3.38Å; M399-K401 PolarHBondContact O-N 3.34Å; K401-Y403 PolarHBondContact O-N 3.18Å; K401-A404 PolarHBondContact O-N 2.82Å; K401-A404 VanDerWaalsContact O-N 3.14Å; K401-W455 HydrophobicContact CB-CH2 4.07Å; K401-N459 VanDerWaalsContact CE-OD1 3.31Å; K401-N459 WeakPolarHBondContact CE-OD1 3.43Å; K401-N459 HydrophobicContact CG-CB 4.43Å
402Y97.8Very high97.3Very high0 Ų045.8 Ų45.80%023%0.23CC..THydrogen-bonded Turntrans-50-53.2-171.7-174.6-83000112.5F224 F247 P398 M399 L426 N430 I431F224-Y402 AromaticContact CE2-CD1 3.87Å; F224-Y402 HydrophobicContact CE2-CD1 3.87Å; F224-Y402 AromaticContact CZ-CD1 3.71Å; F224-Y402 HydrophobicContact CZ-CD1 3.71Å; F224-Y402 HydrophobicContact CZ-CG 4.01Å; F247-Y402 AromaticContact CD1-CE1 3.98Å; F247-Y402 HydrophobicContact CD1-CE1 3.98Å; F247-Y402 HydrophobicContact CE1-CE1 4.45Å; F247-Y402 HydrophobicContact CG-CE1 4.31Å; P398-Y402 PolarHBondContact O-N 3.3Å; M399-Y402 WeakPolarHBondContact O-CB 3.42Å; M399-Y402 PolarHBondContact O-N 2.8Å; Y402-L426 HydrophobicContact CD1-CD1 3.62Å; Y402-L426 HydrophobicContact CD2-CD1 3.79Å; Y402-L426 HydrophobicContact CE1-CD1 3.68Å; Y402-L426 HydrophobicContact CE2-CD1 3.82Å; Y402-L426 HydrophobicContact CG-CD1 3.68Å; Y402-N430 PolarHBondContact OH-O 2.77Å; Y402-I431 HydrophobicContact CD1-CB 4.42Å; Y402-I431 HydrophobicContact CD1-CD1 3.91Å; Y402-I431 HydrophobicContact CD1-CG1 4.46Å; Y402-I431 HydrophobicContact CD2-CB 4.28Å; Y402-I431 HydrophobicContact CE1-CB 3.94Å; Y402-I431 HydrophobicContact CE1-CD1 3.78Å; Y402-I431 HydrophobicContact CE1-CG1 3.91Å; Y402-I431 HydrophobicContact CE2-CB 3.79Å; Y402-I431 WeakPolarHBondContact O-CD1 3.45Å
403Y98.4Very high97.4Very high8 Ų841.2 Ų41.23%0.03121%0.21CC..THydrogen-bonded Turntrans-89.1-17.3-180-158.4-105.6000114.6F224 F247 D249 F327 K401 I405 V406 E407 R410 A422F224-Y403 HydrophobicContact CD2-CG 4.21Å; F224-Y403 HydrophobicContact CG-CG 4.48Å; F247-Y403 AromaticContact CE1-CD2 3.65Å; F247-Y403 HydrophobicContact CE1-CD2 3.65Å; F247-Y403 AromaticContact CE1-CE2 3.69Å; F247-Y403 HydrophobicContact CE1-CE2 3.69Å; F247-Y403 AromaticContact CZ-CD2 3.41Å; F247-Y403 HydrophobicContact CZ-CD2 3.41Å; F247-Y403 VanDerWaalsContact CZ-CD2 3.41Å; F247-Y403 AromaticContact CZ-CE2 3.51Å; F247-Y403 HydrophobicContact CZ-CE2 3.51Å; F247-Y403 HydrophobicContact CZ-CG 4.3Å; D249-Y403 HydrophobicContact CB-CE2 3.91Å; D249-Y403 VanDerWaalsContact CB-OH 3.25Å; D249-Y403 WeakPolarHBondContact CB-OH 3.28Å; D249-Y403 PolarHBondContact OD2-OH 3.4Å; F327-Y403 AromaticContact CE1-CD1 3.82Å; F327-Y403 HydrophobicContact CE1-CD1 3.82Å; F327-Y403 HydrophobicContact CE1-CD2 4.22Å; F327-Y403 AromaticContact CE1-CE1 3.46Å; F327-Y403 HydrophobicContact CE1-CE1 3.46Å; F327-Y403 VanDerWaalsContact CE1-CE1 3.46Å; F327-Y403 AromaticContact CE1-CE2 3.91Å; F327-Y403 HydrophobicContact CE1-CE2 3.91Å; F327-Y403 HydrophobicContact CE1-CG 4.18Å; F327-Y403 AromaticContact CE1-CZ 3.51Å; F327-Y403 AromaticContact CZ-CD1 3.97Å; F327-Y403 HydrophobicContact CZ-CD1 3.97Å; F327-Y403 AromaticContact CZ-CE1 3.75Å; F327-Y403 HydrophobicContact CZ-CE1 3.75Å; K401-Y403 PolarHBondContact O-N 3.18Å; Y403-I405 PolarHBondContact O-N 2.97Å; Y403-I405 VanDerWaalsContact O-N 3.15Å; Y403-V406 HydrophobicContact CD2-CB 4.27Å; Y403-V406 HydrophobicContact CD2-CG2 3.78Å; Y403-V406 HydrophobicContact CE1-CB 4.24Å; Y403-V406 HydrophobicContact CE1-CG1 4.46Å; Y403-V406 HydrophobicContact CE2-CB 3.98Å; Y403-V406 HydrophobicContact CE2-CG1 4.1Å; Y403-V406 HydrophobicContact CE2-CG2 3.71Å; Y403-V406 HydrophobicContact CG-CG2 4.34Å; Y403-V406 WeakPolarHBondContact O-CB 3.33Å; Y403-V406 PolarHBondContact O-N 2.88Å; Y403-E407 HydrophobicContact CD1-CG 4.17Å; Y403-E407 HydrophobicContact CE1-CG 4.23Å; Y403-R410 PolarHBondContact OH-NH1 2.81Å; Y403-R410 PolarHBondContact OH-NH2 2.89Å; Y403-A422 HydrophobicContact CE2-CB 4.48Å
404A98.1Very high97.3Very high23 Ų2342.6 Ų42.619%0.1923%0.226CC..Hα-helixtrans-58.4-33.6-176.800000112.5K401 V406 E407 E408 W455K401-A404 PolarHBondContact O-N 2.82Å; K401-A404 VanDerWaalsContact O-N 3.14Å; A404-V406 PolarHBondContact O-N 3.31Å; A404-E407 PolarHBondContact O-N 3.13Å; A404-E408 VanDerWaalsContact O-CG 3.31Å; A404-E408 WeakPolarHBondContact O-CG 3.38Å; A404-E408 PolarHBondContact O-N 3.26Å; A404-W455 HydrophobicContact CB-CH2 4.23Å; A404-W455 HydrophobicContact CB-CZ2 4.12Å
405I98.2Very high97.3Very high0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-61.3-32.8177.2-162.1171.6000112.8L395 L397 Y403 C409 I431 L433 V452 W455L395-I405 HydrophobicContact CD1-CD1 3.54Å; L397-I405 HydrophobicContact CD1-CB 4.13Å; L397-I405 HydrophobicContact CD1-CD1 4.48Å; L397-I405 HydrophobicContact CD1-CG2 3.76Å; Y403-I405 PolarHBondContact O-N 2.97Å; Y403-I405 VanDerWaalsContact O-N 3.15Å; I405-C409 WeakPolarHBondContact O-CB 3.41Å; I405-C409 PolarHBondContact O-N 3.33Å; I405-C409 PolarHBondContact O-SG 3.39Å; I405-I431 HydrophobicContact CG2-CD1 4.31Å; I405-L433 HydrophobicContact CD1-CD2 4.21Å; I405-L433 HydrophobicContact CG1-CD2 4.28Å; I405-V452 HydrophobicContact CD1-CG1 4.02Å; I405-W455 HydrophobicContact CB-CD2 4.47Å; I405-W455 HydrophobicContact CB-CE3 3.91Å; I405-W455 HydrophobicContact CB-CH2 3.81Å; I405-W455 HydrophobicContact CB-CZ2 4.35Å; I405-W455 HydrophobicContact CB-CZ3 3.58Å; I405-W455 HydrophobicContact CD1-CD2 4.35Å; I405-W455 HydrophobicContact CD1-CE3 3.58Å; I405-W455 HydrophobicContact CD1-CZ3 3.94Å; I405-W455 HydrophobicContact CG1-CD2 4.1Å; I405-W455 HydrophobicContact CG1-CE3 3.68Å; I405-W455 HydrophobicContact CG1-CH2 4.47Å; I405-W455 HydrophobicContact CG1-CZ3 3.91Å
406V98.4Very high97.3Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-68.8-44.1179.5-170.90000109.6Y403 A404 C409 R410 V420 A422 I431 L433Y403-V406 HydrophobicContact CD2-CB 4.27Å; Y403-V406 HydrophobicContact CD2-CG2 3.78Å; Y403-V406 HydrophobicContact CE1-CB 4.24Å; Y403-V406 HydrophobicContact CE1-CG1 4.46Å; Y403-V406 HydrophobicContact CE2-CB 3.98Å; Y403-V406 HydrophobicContact CE2-CG1 4.1Å; Y403-V406 HydrophobicContact CE2-CG2 3.71Å; Y403-V406 HydrophobicContact CG-CG2 4.34Å; Y403-V406 WeakPolarHBondContact O-CB 3.33Å; Y403-V406 PolarHBondContact O-N 2.88Å; A404-V406 PolarHBondContact O-N 3.31Å; V406-C409 PolarHBondContact O-N 2.89Å; V406-R410 WeakPolarHBondContact O-CG 3.33Å; V406-R410 PolarHBondContact O-N 3.11Å; V406-V420 HydrophobicContact CG1-CG1 4.01Å; V406-A422 HydrophobicContact CG2-CB 3.52Å; V406-I431 HydrophobicContact CG2-CD1 3.88Å; V406-L433 HydrophobicContact CG2-CD1 4.18Å
407E98Very high97.2Very high116 Ų11651.4 Ų51.454%0.54228%0.279SS..Hα-helixtrans-63.6-44177.5-61.7179.3139.800111.6Y403 A404 R410 N411Y403-E407 HydrophobicContact CD1-CG 4.17Å; Y403-E407 HydrophobicContact CE1-CG 4.23Å; A404-E407 PolarHBondContact O-N 3.13Å; E407-R410 PolarHBondContact O-N 3.36Å; E407-N411 WeakPolarHBondContact O-CB 3.47Å; E407-N411 PolarHBondContact O-N 3.28Å
408E98.2Very high97.1Very high80 Ų8054.1 Ų54.137%0.37430%0.295SS..Hα-helixtrans-62.7-42.9175.5-66.5-74.3-179.600111.6A404 N411 I412 F451A404-E408 VanDerWaalsContact O-CG 3.31Å; A404-E408 WeakPolarHBondContact O-CG 3.38Å; A404-E408 PolarHBondContact O-N 3.26Å; E408-N411 PolarHBondContact O-N 2.7Å; E408-I412 WeakPolarHBondContact O-CB 3.26Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.31Å; E408-I412 PolarHBondContact O-N 3.39Å; E408-F451 HydrophobicContact CB-CE1 4.3Å; E408-F451 HydrophobicContact CB-CZ 3.89Å
409C98.3Very high97Very high0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-64.7-40175.8-70.70000112.1I405 V406 N411 I412 F413 V420 I435I405-C409 WeakPolarHBondContact O-CB 3.41Å; I405-C409 PolarHBondContact O-N 3.33Å; I405-C409 PolarHBondContact O-SG 3.39Å; V406-C409 PolarHBondContact O-N 2.89Å; C409-N411 VanDerWaalsContact C-N 3.34Å; C409-I412 PolarHBondContact O-N 3.11Å; C409-F413 HydrophobicContact CB-CD2 4.29Å; C409-F413 WeakPolarHBondContact O-CB 3.43Å; C409-F413 PolarHBondContact O-N 3.31Å; C409-V420 HydrophobicContact CB-CG1 3.88Å; C409-I435 HydrophobicContact CB-CD1 4.13Å
410R97.9Very high97.2Very high75 Ų7550.7 Ų50.728%0.28327%0.274SS..Hα-helixtrans-60.3-44.7173.3-78.3178.5-174.7133.10.6111.3D249 D251 Y403 V406 E407 G414 V420D249-R410 IonicContact OD2-NH2 3.09Å; D249-R410 PolarHBondContact OD2-NH2 2.84Å; D249-R410 VanDerWaalsContact OD2-NH2 3.15Å; D251-R410 IonicContact OD2-CZ 3.57Å; D251-R410 IonicContact OD2-NE 3.2Å; D251-R410 IonicContact OD2-NH2 3.9Å; D251-R410 PolarHBondContact OD2-NH2 3.34Å; Y403-R410 PolarHBondContact OH-NH1 2.81Å; Y403-R410 PolarHBondContact OH-NH2 2.89Å; V406-R410 WeakPolarHBondContact O-CG 3.33Å; V406-R410 PolarHBondContact O-N 3.11Å; E407-R410 PolarHBondContact O-N 3.36Å; R410-G414 WeakPolarHBondContact O-CA 3.33Å; R410-G414 PolarHBondContact O-N 2.97Å; R410-V420 HydrophobicContact CG-CB 3.65Å; R410-V420 HydrophobicContact CG-CG1 3.87Å; R410-V420 HydrophobicContact CG-CG2 4.28Å; R410-V420 PolarHBondContact NE-O 3.19Å; R410-V420 PolarHBondContact NH2-O 2.88Å
411N98Very high97.3Very high133 Ų13345 Ų4571%0.71124%0.243SC*.Hα-helixtrans-64.3-40.7179.6-175.748.3000112.5E407 E408 C409E407-N411 WeakPolarHBondContact O-CB 3.47Å; E407-N411 PolarHBondContact O-N 3.28Å; E408-N411 PolarHBondContact O-N 2.7Å; C409-N411 VanDerWaalsContact C-N 3.34Å
412I97.7Very high97.4Very high65 Ų6541.3 Ų41.333%0.33323%0.227SC..Hα-helixtrans-84.1-41.8-175-64.9167.6000112.5E408 C409 F451E408-I412 WeakPolarHBondContact O-CB 3.26Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.31Å; E408-I412 PolarHBondContact O-N 3.39Å; C409-I412 PolarHBondContact O-N 3.11Å; I412-F451 HydrophobicContact CD1-CD1 4.37Å; I412-F451 HydrophobicContact CD1-CD2 3.72Å; I412-F451 HydrophobicContact CD1-CE1 3.93Å; I412-F451 HydrophobicContact CD1-CE2 3.21Å; I412-F451 HydrophobicContact CD1-CG 4.28Å; I412-F451 HydrophobicContact CD1-CZ 3.34Å
413F97.4Very high97.4Very high4 Ų441.7 Ų41.72%0.01823%0.229CC..Hα-helixtrans-114.3-5.6-169.6-54.5-68.4000113.9C409 S415 E416 C417 L444 R447 M448 F451C409-F413 HydrophobicContact CB-CD2 4.29Å; C409-F413 WeakPolarHBondContact O-CB 3.43Å; C409-F413 PolarHBondContact O-N 3.31Å; F413-S415 VanDerWaalsContact C-N 3.27Å; F413-S415 PolarHBondContact O-N 3.36Å; F413-S415 VanDerWaalsContact O-N 3.13Å; F413-E416 WeakPolarHBondContact O-CA 3.37Å; F413-E416 PolarHBondContact O-N 3.29Å; F413-C417 PolarHBondContact O-N 3.29Å; F413-C417 PolarHBondContact O-SG 2.94Å; F413-L444 HydrophobicContact CD1-CD1 4.19Å; F413-R447 HydrophobicContact CE1-CB 4.28Å; F413-M448 HydrophobicContact CB-CE 3.96Å; F413-M448 HydrophobicContact CD1-CE 4.17Å; F413-M448 HydrophobicContact CD1-CG 4.1Å; F413-M448 HydrophobicContact CD2-CG 4.26Å; F413-M448 HydrophobicContact CE1-CG 3.94Å; F413-M448 HydrophobicContact CE2-CG 4.11Å; F413-M448 HydrophobicContact CG-CE 4Å; F413-M448 HydrophobicContact CG-CG 4.26Å; F413-M448 HydrophobicContact CZ-CB 4.45Å; F413-M448 HydrophobicContact CZ-CG 3.95Å; F413-F451 HydrophobicContact CE2-CB 4.18Å; F413-F451 AromaticContact CE2-CD1 3.71Å; F413-F451 HydrophobicContact CE2-CD1 3.71Å; F413-F451 HydrophobicContact CE2-CE1 4.47Å; F413-F451 HydrophobicContact CE2-CG 4.07Å; F413-F451 HydrophobicContact CZ-CB 3.9Å; F413-F451 HydrophobicContact CZ-CD1 4.28Å; F413-F451 HydrophobicContact CZ-CG 4.19Å
414G95.2Very high97.2Very high33 Ų3341.3 Ų41.334%0.3423%0.227SC..G310 helixtrans-55.5-36.2-170.300000114.6R410 E416 C417R410-G414 WeakPolarHBondContact O-CA 3.33Å; R410-G414 PolarHBondContact O-N 2.97Å; G414-E416 PolarHBondContact O-N 3.09Å; G414-C417 PolarHBondContact O-N 3.45Å
415S96.2Very high97.1Very high121 Ų12140.6 Ų40.685%0.84622%0.22SC*.G310 helixtrans-71.6-1517759.10000114.4F413F413-S415 VanDerWaalsContact C-N 3.27Å; F413-S415 PolarHBondContact O-N 3.36Å; F413-S415 VanDerWaalsContact O-N 3.13Å
416E96.1Very high97Very high81 Ų8140.6 Ų40.638%0.37922%0.22SC..G310 helixtrans-103.4-1.6179.6-60.1178.1-80.900112F413 G414 T437 L444 R447F413-E416 WeakPolarHBondContact O-CA 3.37Å; F413-E416 PolarHBondContact O-N 3.29Å; G414-E416 PolarHBondContact O-N 3.09Å; E416-T437 WeakPolarHBondContact O-CG2 3.31Å; E416-L444 HydrophobicContact CB-CD2 4.4Å; E416-R447 IonicContact OE1-CZ 3.77Å; E416-R447 IonicContact OE1-NH1 2.72Å; E416-R447 PolarHBondContact OE1-NH1 2.72Å; E416-R447 VanDerWaalsContact OE1-NH1 3.14Å; E416-R447 IonicContact OE1-NH2 3.71Å; E416-R447 PolarHBondContact OE1-NH2 3.19Å; E416-R447 IonicContact OE2-CZ 3.56Å; E416-R447 IonicContact OE2-NH1 3.36Å; E416-R447 PolarHBondContact OE2-NH1 3.44Å; E416-R447 IonicContact OE2-NH2 3.88Å
417C95.6Very high96.9Very high24 Ų2440.7 Ų40.716%0.16222%0.22CC..  trans-121.2148.3-171.3-58.50000111.9F413 G414 V420 I435 V436 M448F413-C417 PolarHBondContact O-N 3.29Å; F413-C417 PolarHBondContact O-SG 2.94Å; G414-C417 PolarHBondContact O-N 3.45Å; C417-V420 HydrophobicContact CB-CG2 4.17Å; C417-I435 HydrophobicContact CB-CG2 4.26Å; C417-I435 WeakPolarHBondContact SG-CG2 3.5Å; C417-V436 CarbonylContact C-O 3.59Å; C417-V436 WeakPolarHBondContact CA-O 3.2Å; C417-V436 WeakPolarHBondContact CB-O 3.21Å; C417-M448 VanDerWaalsContact SG-CE 3.54Å
418V95.7Very high96.6Very high64 Ų6437.4 Ų37.439%0.38821%0.207SC..SBendtrans-72.1-41.8166.81770000109.7V436 E438V418-V436 HydrophobicContact CB-CG1 4.29Å; V418-V436 PolarHBondContact N-O 2.84Å; V418-E438 HydrophobicContact CG2-CG 3.83Å
419R96.1Very high96.5Very high33 Ų3333.7 Ų33.713%0.12519%0.19CC..EExtended strand (participates in β ladder)trans-154.6145.7-175.1-167.5175.3-63.8-87.313.6111.4D251 F384 D387 V436D251-R419 HydrophobicContact CB-CG 4.03Å; D251-R419 PolarHBondContact O-NH1 3.43Å; D251-R419 WeakPolarHBondContact OD1-CG 3.39Å; D251-R419 IonicContact OD1-CZ 2.72Å; D251-R419 IonicContact OD1-NH1 3.3Å; D251-R419 PolarHBondContact OD1-NH1 2.89Å; F384-R419 HydrophobicContact CE1-CG 3.93Å; D387-R419 IonicContact OD2-CZ 3.62Å; D387-R419 IonicContact OD2-NE 3.75Å; D387-R419 PolarHBondContact OD2-NE 3.24Å; D387-R419 IonicContact OD2-NH2 3.52Å; R419-V436 HydrophobicContact CB-CB 4.31Å; R419-V436 PolarHBondContact N-O 3.37Å; R419-V436 PolarHBondContact O-N 2.73Å
420V97.9Very high96.5Very high7 Ų734 Ų344%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-130.4113.1164.6178.40000106.2V406 C409 R410 C417 L433 I435V406-V420 HydrophobicContact CG1-CG1 4.01Å; C409-V420 HydrophobicContact CB-CG1 3.88Å; R410-V420 HydrophobicContact CG-CB 3.65Å; R410-V420 HydrophobicContact CG-CG1 3.87Å; R410-V420 HydrophobicContact CG-CG2 4.28Å; R410-V420 PolarHBondContact NE-O 3.19Å; R410-V420 PolarHBondContact NH2-O 2.88Å; C417-V420 HydrophobicContact CB-CG2 4.17Å; V420-L433 HydrophobicContact CG1-CD1 4.12Å; V420-I435 HydrophobicContact CG1-CG1 4.19Å; V420-I435 HydrophobicContact CG2-CG1 4.35Å; V420-I435 HydrophobicContact CG2-CG2 4.04Å
421G97.6Very high96.5Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-144.5163.9-178.300000111.4D249 N434D249-G421 WeakPolarHBondContact OD2-CA 3.34Å; G421-N434 PolarHBondContact N-O 3.04Å; G421-N434 PolarHBondContact O-N 2.88Å; G421-N434 VanDerWaalsContact O-O 3.1Å
422A98.1Very high96.5Very high0 Ų025.1 Ų25.10%015%0.149CC..EExtended strand (participates in β ladder)trans-147.7149.3-179.800000113.3F247 D249 C252 Y403 V406 I431 H432F247-A422 WeakPolarHBondContact CE1-O 3.47Å; D249-A422 PolarHBondContact N-O 2.89Å; D249-A422 PolarHBondContact OD1-N 3.43Å; D249-A422 PolarHBondContact OD2-N 3.19Å; C252-A422 VanDerWaalsContact SG-C 3.53Å; C252-A422 PolarHBondContact SG-O 3.32Å; Y403-A422 HydrophobicContact CE2-CB 4.48Å; V406-A422 HydrophobicContact CG2-CB 3.52Å; A422-I431 HydrophobicContact CB-CD1 3.66Å; A422-I431 HydrophobicContact CB-CG1 3.79Å; A422-H432 WeakPolarHBondContact CA-O 3.35Å
423F97.6Very high96.5Very high9 Ų922 Ų224%0.03913%0.133CC..EExtended strand (participates in β ladder)trans-138.7171.5172.564-86.8000109F247 M248 I380 F384 H432 N434F247-F423 CarbonylContact O-C 3.43Å; F247-F423 WeakPolarHBondContact O-CA 3.25Å; F247-F423 VanDerWaalsContact O-CB 3.29Å; F247-F423 WeakPolarHBondContact O-CB 3.36Å; M248-F423 HydrophobicContact CG-CB 4.17Å; I380-F423 HydrophobicContact CB-CD1 4.13Å; I380-F423 HydrophobicContact CB-CE1 4.17Å; I380-F423 HydrophobicContact CB-CG 4.47Å; I380-F423 HydrophobicContact CD1-CB 3.96Å; I380-F423 HydrophobicContact CD1-CD1 4.45Å; I380-F423 HydrophobicContact CD1-CG 4.12Å; I380-F423 HydrophobicContact CG2-CD1 3.28Å; I380-F423 HydrophobicContact CG2-CE1 3.45Å; I380-F423 VanDerWaalsContact CG2-CE1 3.45Å; I380-F423 HydrophobicContact CG2-CG 4Å; I380-F423 HydrophobicContact CG2-CZ 4.29Å; F384-F423 HydrophobicContact CE2-CD1 4.32Å; F384-F423 HydrophobicContact CE2-CE1 4.46Å; F423-H432 HydrophobicContact CD1-CB 4.24Å; F423-H432 HydrophobicContact CD2-CB 4.02Å; F423-H432 AromaticContact CD2-CD2 4Å; F423-H432 HydrophobicContact CE1-CB 3.94Å; F423-H432 HydrophobicContact CE2-CB 3.69Å; F423-H432 AromaticContact CE2-CD2 3.69Å; F423-H432 AromaticContact CE2-CG 3.78Å; F423-H432 HydrophobicContact CG-CB 4.31Å; F423-H432 HydrophobicContact CZ-CB 3.67Å; F423-H432 PolarHBondContact N-O 2.88Å; F423-H432 WeakPolarHBondContact O-CA 3.45Å; F423-H432 WeakPolarHBondContact O-CB 3.17Å; F423-H432 PolarHBondContact O-N 3.48Å; F423-N434 VanDerWaalsContact CE1-ND2 3.31Å; F423-N434 WeakPolarHBondContact CE1-ND2 3.42Å
424G95.6Very high96.5Very high0 Ų022 Ų220%013%0.133CC..EExtended strand (participates in β ladder)trans154.8-169.6166.600000115.6E246 F247 L426 N430E246-G424 CarbonylContact C-O 3.55Å; E246-G424 WeakPolarHBondContact CA-O 3.4Å; F247-G424 PolarHBondContact N-O 2.94Å; F247-G424 PolarHBondContact O-N 3.38Å; G424-L426 VanDerWaalsContact C-N 3.31Å; G424-L426 PolarHBondContact O-N 3.21Å; G424-N430 CarbonylContact C-O 3.48Å
425H95.6Very high96.6Very high8 Ų820.4 Ų20.44%0.03712%0.117CC..EExtended strand (participates in β ladder)trans-81.877.1-175.6-42.4-60.2000108.6E246 R377 G427 D428 G429 N430 H432 E466E246-H425 IonicContact OE1-CE1 3.71Å; E246-H425 IonicContact OE1-CG 3.17Å; E246-H425 IonicContact OE1-ND1 3.61Å; E246-H425 PolarHBondContact OE1-ND1 2.72Å; E246-H425 IonicContact OE2-CE1 3.49Å; E246-H425 PolarHBondContact OE2-CE1 3.29Å; E246-H425 IonicContact OE2-CG 2.7Å; E246-H425 IonicContact OE2-ND1 3.63Å; E246-H425 PolarHBondContact OE2-ND1 3.48Å; R377-H425 PolarHBondContact NH2-CE1 2.93Å; R377-H425 VanDerWaalsContact NH2-CE1 3.29Å; H425-G427 PolarHBondContact O-N 3.28Å; H425-D428 HydrophobicContact CB-CB 4.19Å; H425-D428 CarbonylContact O-C 3.56Å; H425-D428 PolarHBondContact O-N 3.48Å; H425-G429 PolarHBondContact O-N 3.3Å; H425-N430 HydrophobicContact CB-CB 4.32Å; H425-N430 PolarHBondContact CD2-OD1 3.48Å; H425-N430 VanDerWaalsContact CD2-OD1 3.31Å; H425-N430 PolarHBondContact N-O 3.35Å; H425-N430 PolarHBondContact O-N 3.45Å; H425-N430 VanDerWaalsContact O-N 3.15Å; H425-H432 AromaticContact CD2-NE2 3.71Å; H425-H432 AromaticContact NE2-NE2 3.28Å; H425-H432 PolarHBondContact NE2-NE2 2.82Å; H425-E466 IonicContact CD2-OE1 3.16Å
426L96.9Very high96.7Very high0 Ų014.6 Ų14.60%08%0.077CC..THydrogen-bonded Turntrans-60.7-31.7179.9-175.867000111F224 C227 L228 L231 V245 F247 M329 M399 Y402 G424 D428 G429F224-L426 HydrophobicContact CE2-CD1 4.1Å; F224-L426 HydrophobicContact CZ-CD1 3.88Å; C227-L426 HydrophobicContact CB-CD2 4.17Å; L228-L426 HydrophobicContact CD2-CD1 4.23Å; L228-L426 HydrophobicContact CD2-CD2 4.41Å; L231-L426 HydrophobicContact CD2-CG 4.18Å; V245-L426 PolarHBondContact O-N 3.36Å; V245-L426 VanDerWaalsContact O-N 3.17Å; F247-L426 HydrophobicContact CB-CB 3.74Å; F247-L426 HydrophobicContact CB-CD2 4.34Å; M329-L426 HydrophobicContact CE-CB 4.36Å; M329-L426 HydrophobicContact CE-CD2 3.51Å; M329-L426 HydrophobicContact CE-CG 4.48Å; M329-L426 HydrophobicContact SD-CD2 3.79Å; M399-L426 WeakPolarHBondContact CE-O 3.39Å; M399-L426 HydrophobicContact SD-CD1 4.2Å; Y402-L426 HydrophobicContact CD1-CD1 3.62Å; Y402-L426 HydrophobicContact CD2-CD1 3.79Å; Y402-L426 HydrophobicContact CE1-CD1 3.68Å; Y402-L426 HydrophobicContact CE2-CD1 3.82Å; Y402-L426 HydrophobicContact CG-CD1 3.68Å; G424-L426 VanDerWaalsContact C-N 3.31Å; G424-L426 PolarHBondContact O-N 3.21Å; L426-D428 PolarHBondContact O-N 3.04Å; L426-G429 PolarHBondContact O-N 3.45Å
427G94.3Very high96.8Very high1 Ų111 Ų111%0.016%0.06CC..THydrogen-bonded Turntrans-51.3-36.1170.900000113.2R235 V245 H425R235-G427 PolarHBondContact NH2-O 3.06Å; V245-G427 PolarHBondContact O-N 3.08Å; V245-G427 VanDerWaalsContact O-N 3.13Å; H425-G427 PolarHBondContact O-N 3.28Å
428D93.6Very high96.8Very high47 Ų4718 Ų1825%0.2519%0.091SC..THydrogen-bonded Turntrans-107.8-3.9-171.8-53.3-44.5000112.9L146 L147 H425 L426 N430L146-D428 HydrophobicContact CD2-CB 3.85Å; L146-D428 VanDerWaalsContact CD2-CG 3.41Å; L146-D428 WeakPolarHBondContact CD2-OD1 3.48Å; L147-D428 VanDerWaalsContact CA-OD1 3.26Å; L147-D428 WeakPolarHBondContact CA-OD1 3.41Å; L147-D428 WeakPolarHBondContact CB-OD1 3.44Å; L147-D428 PolarHBondContact N-OD1 3.42Å; H425-D428 HydrophobicContact CB-CB 4.19Å; H425-D428 CarbonylContact O-C 3.56Å; H425-D428 PolarHBondContact O-N 3.48Å; L426-D428 PolarHBondContact O-N 3.04Å; D428-N430 VanDerWaalsContact C-N 3.31Å
429G96Very high96.8Very high3 Ų324.7 Ų24.73%0.03111%0.109CC..THydrogen-bonded Turntrans74.222.8-177.800000113S396 L397 M399 H425 L426S396-G429 CarbonylContact C-O 3.19Å; S396-G429 VanDerWaalsContact CA-O 3.25Å; S396-G429 WeakPolarHBondContact CA-O 3.44Å; L397-G429 PolarHBondContact N-O 2.9Å; M399-G429 VanDerWaalsContact CE-N 3.33Å; H425-G429 PolarHBondContact O-N 3.3Å; L426-G429 PolarHBondContact O-N 3.45Å
430N97.3Very high96.7Very high5 Ų526.3 Ų26.33%0.02713%0.125CC..EExtended strand (participates in β ladder)trans-102.6115.6176.8174.6-161.8000112.1D394 L395 Y402 G424 H425 D428 A465 E466D394-N430 PolarHBondContact OD1-ND2 2.8Å; D394-N430 PolarHBondContact OD1-OD1 3.45Å; L395-N430 CarbonylContact O-C 3.58Å; L395-N430 VanDerWaalsContact O-CA 3.3Å; L395-N430 WeakPolarHBondContact O-CA 3.44Å; L395-N430 PolarHBondContact O-ND2 2.96Å; Y402-N430 PolarHBondContact OH-O 2.77Å; G424-N430 CarbonylContact C-O 3.48Å; H425-N430 HydrophobicContact CB-CB 4.32Å; H425-N430 PolarHBondContact CD2-OD1 3.48Å; H425-N430 VanDerWaalsContact CD2-OD1 3.31Å; H425-N430 PolarHBondContact N-O 3.35Å; H425-N430 PolarHBondContact O-N 3.45Å; H425-N430 VanDerWaalsContact O-N 3.15Å; D428-N430 VanDerWaalsContact C-N 3.31Å; N430-A465 HydrophobicContact CB-CB 3.91Å; N430-A465 WeakPolarHBondContact ND2-CB 3.26Å; N430-E466 WeakPolarHBondContact OD1-CG 3.32Å
431I97.9Very high96.6Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-105.4134.4176.8-168.4168.3000111.8L395 L397 Y402 I405 V406 A422L395-I431 HydrophobicContact CB-CG2 3.91Å; L395-I431 HydrophobicContact CD1-CG2 4.47Å; L395-I431 PolarHBondContact N-O 2.86Å; L395-I431 PolarHBondContact O-N 2.97Å; L397-I431 HydrophobicContact CD1-CG2 3.86Å; L397-I431 HydrophobicContact CG-CG2 4.32Å; Y402-I431 HydrophobicContact CD1-CB 4.42Å; Y402-I431 HydrophobicContact CD1-CD1 3.91Å; Y402-I431 HydrophobicContact CD1-CG1 4.46Å; Y402-I431 HydrophobicContact CD2-CB 4.28Å; Y402-I431 HydrophobicContact CE1-CB 3.94Å; Y402-I431 HydrophobicContact CE1-CD1 3.78Å; Y402-I431 HydrophobicContact CE1-CG1 3.91Å; Y402-I431 HydrophobicContact CE2-CB 3.79Å; Y402-I431 WeakPolarHBondContact O-CD1 3.45Å; I405-I431 HydrophobicContact CG2-CD1 4.31Å; V406-I431 HydrophobicContact CG2-CD1 3.88Å; A422-I431 HydrophobicContact CB-CD1 3.66Å; A422-I431 HydrophobicContact CB-CG1 3.79Å
432H97.2Very high96.5Very high22 Ų2235.1 Ų35.110%0.10218%0.176CC..EExtended strand (participates in β ladder)trans-98.891.4168.7-62.3-75.8000109.1Y393 D394 A422 F423 H425 N434Y393-H432 CarbonylContact O-C 3.54Å; Y393-H432 WeakPolarHBondContact O-CA 3.26Å; D394-H432 IonicContact OD1-CE1 3.43Å; D394-H432 IonicContact OD1-ND1 3.71Å; A422-H432 WeakPolarHBondContact CA-O 3.35Å; F423-H432 HydrophobicContact CD1-CB 4.24Å; F423-H432 HydrophobicContact CD2-CB 4.02Å; F423-H432 AromaticContact CD2-CD2 4Å; F423-H432 HydrophobicContact CE1-CB 3.94Å; F423-H432 HydrophobicContact CE2-CB 3.69Å; F423-H432 AromaticContact CE2-CD2 3.69Å; F423-H432 AromaticContact CE2-CG 3.78Å; F423-H432 HydrophobicContact CG-CB 4.31Å; F423-H432 HydrophobicContact CZ-CB 3.67Å; F423-H432 PolarHBondContact N-O 2.88Å; F423-H432 WeakPolarHBondContact O-CA 3.45Å; F423-H432 WeakPolarHBondContact O-CB 3.17Å; F423-H432 PolarHBondContact O-N 3.48Å; H425-H432 AromaticContact CD2-NE2 3.71Å; H425-H432 AromaticContact NE2-NE2 3.28Å; H425-H432 PolarHBondContact NE2-NE2 2.82Å; H432-N434 PolarHBondContact O-ND2 3.26Å
433L98.3Very high96.4Very high0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-80.2126.8176167.869.3000109.7Y393 I405 V406 V420 I435 V452Y393-L433 HydrophobicContact CD2-CD2 4.13Å; Y393-L433 HydrophobicContact CD2-CG 4.23Å; Y393-L433 PolarHBondContact N-O 2.94Å; Y393-L433 PolarHBondContact O-N 3Å; I405-L433 HydrophobicContact CD1-CD2 4.21Å; I405-L433 HydrophobicContact CG1-CD2 4.28Å; V406-L433 HydrophobicContact CG2-CD1 4.18Å; V420-L433 HydrophobicContact CG1-CD1 4.12Å; L433-I435 HydrophobicContact CD1-CG1 4.27Å; L433-I435 HydrophobicContact CD2-CD1 4.38Å; L433-I435 HydrophobicContact CG-CG1 4.32Å; L433-V452 HydrophobicContact CD2-CG1 4.21Å; L433-V452 HydrophobicContact CD2-CG2 4.01Å
434N98.1Very high96.3Very high3 Ų341.2 Ų41.22%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-122.4124.3179.5-69.2-104.4000109.2F384 N390 G421 F423 H432F384-N434 HydrophobicContact CD1-CB 3.96Å; F384-N434 HydrophobicContact CD2-CB 4.1Å; F384-N434 HydrophobicContact CE1-CB 3.94Å; F384-N434 HydrophobicContact CE2-CB 4.14Å; F384-N434 HydrophobicContact CG-CB 4.03Å; F384-N434 HydrophobicContact CZ-CB 4.06Å; N390-N434 PolarHBondContact ND2-OD1 3.42Å; N390-N434 WeakPolarHBondContact OD1-CB 3.5Å; N390-N434 PolarHBondContact OD1-OD1 2.89Å; G421-N434 PolarHBondContact N-O 3.04Å; G421-N434 PolarHBondContact O-N 2.88Å; G421-N434 VanDerWaalsContact O-O 3.1Å; F423-N434 VanDerWaalsContact CE1-ND2 3.31Å; F423-N434 WeakPolarHBondContact CE1-ND2 3.42Å; H432-N434 PolarHBondContact O-ND2 3.26Å
435I97.9Very high96.2Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-119.3115.7176.3-56.9172.6000107.7Y391 Y393 C409 C417 V420 L433 M448Y391-I435 VanDerWaalsContact CD2-O 3.32Å; Y391-I435 WeakPolarHBondContact CD2-O 3.33Å; Y391-I435 PolarHBondContact N-O 3.36Å; Y391-I435 PolarHBondContact O-N 2.87Å; Y393-I435 HydrophobicContact CE2-CD1 4.09Å; C409-I435 HydrophobicContact CB-CD1 4.13Å; C417-I435 HydrophobicContact CB-CG2 4.26Å; C417-I435 WeakPolarHBondContact SG-CG2 3.5Å; V420-I435 HydrophobicContact CG1-CG1 4.19Å; V420-I435 HydrophobicContact CG2-CG1 4.35Å; V420-I435 HydrophobicContact CG2-CG2 4.04Å; L433-I435 HydrophobicContact CD1-CG1 4.27Å; L433-I435 HydrophobicContact CD2-CD1 4.38Å; L433-I435 HydrophobicContact CG-CG1 4.32Å; I435-M448 HydrophobicContact CB-CE 4.41Å; I435-M448 HydrophobicContact CB-SD 4.32Å; I435-M448 HydrophobicContact CD1-CG 4.5Å; I435-M448 HydrophobicContact CD1-SD 4.24Å; I435-M448 HydrophobicContact CG2-CE 3.37Å; I435-M448 HydrophobicContact CG2-SD 3.88Å
436V97.7Very high96.2Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-107.5134-175.3-176.90000111F384 D387 Y389 N390 C417 V418 R419F384-V436 HydrophobicContact CB-CG2 4.27Å; F384-V436 HydrophobicContact CD1-CG2 3.56Å; F384-V436 HydrophobicContact CE1-CG2 4.37Å; F384-V436 HydrophobicContact CG-CG2 4.38Å; D387-V436 HydrophobicContact CB-CG1 4.2Å; Y389-V436 WeakPolarHBondContact O-CA 3.38Å; N390-V436 HydrophobicContact CB-CG2 3.96Å; C417-V436 CarbonylContact C-O 3.59Å; C417-V436 WeakPolarHBondContact CA-O 3.2Å; C417-V436 WeakPolarHBondContact CB-O 3.21Å; V418-V436 HydrophobicContact CB-CG1 4.29Å; V418-V436 PolarHBondContact N-O 2.84Å; R419-V436 HydrophobicContact CB-CB 4.31Å; R419-V436 PolarHBondContact N-O 3.37Å; R419-V436 PolarHBondContact O-N 2.73Å
437T97.4Very high96.2Very high5 Ų554.5 Ų54.53%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-124162.5173.360.70000110.2G388 Y389 Y391 E416 R439 L444 M448G388-T437 CarbonylContact C-O 3.38Å; G388-T437 WeakPolarHBondContact CA-O 3.17Å; Y389-T437 PolarHBondContact N-O 3.47Å; Y389-T437 PolarHBondContact O-N 2.71Å; Y391-T437 HydrophobicContact CD2-CG2 4.37Å; Y391-T437 HydrophobicContact CE2-CG2 3.78Å; Y391-T437 WeakPolarHBondContact CE2-OG1 3.39Å; E416-T437 WeakPolarHBondContact O-CG2 3.31Å; T437-R439 PolarHBondContact O-N 3.06Å; T437-R439 PolarHBondContact OG1-O 3.07Å; T437-L444 HydrophobicContact CG2-CD2 3.74Å; T437-M448 HydrophobicContact CG2-CE 4.44Å
438E95.7Very high96.3Very high172 Ų17254.4 Ų54.480%0.80426%0.263SS*.SBendtrans-61.5-34.2178.6-64.4-175.2168.900112.8V418V418-E438 HydrophobicContact CG2-CG 3.83Å
439R95.4Very high96.4Very high203 Ų20352.8 Ų52.877%0.76625%0.254SS*.SBendtrans-144.8158.9-178.960.6-177.5174.4-169.6-3111.1T437T437-R439 PolarHBondContact O-N 3.06Å; T437-R439 PolarHBondContact OG1-O 3.07Å
440S94.4Very high96.3Very high68 Ų6855.9 Ų55.948%0.47627%0.27SS..  trans-64.6150.4171.3580000111.7
441S95.9Very high96.3Very high49 Ų4957.8 Ų57.834%0.34328%0.278SS..  trans-153.4114.6175.71700000109.6Y391 L443 L444 K445Y391-S441 PolarHBondContact OH-N 3.26Å; Y391-S441 PolarHBondContact OH-O 3.43Å; S441-L443 VanDerWaalsContact C-N 3.26Å; S441-L443 PolarHBondContact O-N 2.89Å; S441-L444 PolarHBondContact O-N 3.33Å; S441-L444 PolarHBondContact OG-N 3.29Å; S441-K445 WeakPolarHBondContact O-CB 3.28Å; S441-K445 PolarHBondContact O-N 3.25Å
442D94.6Very high96.3Very high142 Ų14257.8 Ų57.876%0.75928%0.278SS*.Hα-helixtrans-61.5-36.6-179.5-64.1-25.7000112.3K446D442-K446 WeakPolarHBondContact O-CB 3.29Å; D442-K446 PolarHBondContact O-N 2.94Å
443L96Very high96.2Very high126 Ų12657 Ų5766%0.6627%0.274SS*.Hα-helixtrans-65.7-43.1177.5-179.763.2000111.2S441 K446 R447S441-L443 VanDerWaalsContact C-N 3.26Å; S441-L443 PolarHBondContact O-N 2.89Å; L443-K446 PolarHBondContact O-N 3.06Å; L443-R447 WeakPolarHBondContact O-CG 3.44Å; L443-R447 PolarHBondContact O-N 3.23Å; L443-R447 VanDerWaalsContact O-N 3.11Å
444L95.9Very high96.1Very high12 Ų1262.8 Ų62.86%0.06330%0.299CS..Hα-helixtrans-70.2-43.3179.3-172.258.6000110.8F413 E416 T437 S441 K446 R447 M448F413-L444 HydrophobicContact CD1-CD1 4.19Å; E416-L444 HydrophobicContact CB-CD2 4.4Å; T437-L444 HydrophobicContact CG2-CD2 3.74Å; S441-L444 PolarHBondContact O-N 3.33Å; S441-L444 PolarHBondContact OG-N 3.29Å; L444-K446 VanDerWaalsContact C-N 3.3Å; L444-K446 PolarHBondContact O-N 2.88Å; L444-R447 WeakPolarHBondContact O-CB 3.41Å; L444-R447 PolarHBondContact O-N 3.12Å; L444-M448 HydrophobicContact CD1-CE 3.82Å; L444-M448 HydrophobicContact CD1-CG 4.39Å; L444-M448 HydrophobicContact CD2-CE 3.71Å; L444-M448 HydrophobicContact CG-CE 3.58Å; L444-M448 HydrophobicContact CG-CG 4.36Å; L444-M448 HydrophobicContact CG-SD 4Å; L444-M448 WeakPolarHBondContact O-CG 3.36Å; L444-M448 PolarHBondContact O-N 3.33Å
445K95Very high96Very high47 Ų4763.8 Ų63.820%0.20430%0.303CS..Hα-helixtrans-52.2-49.7172.3-177.2163.9169.434.40111.4Y391 S441 R447 M448 D449Y391-K445 HydrophobicContact CD1-CB 4.18Å; Y391-K445 HydrophobicContact CD1-CD 4.31Å; Y391-K445 HydrophobicContact CD1-CG 4.13Å; Y391-K445 HydrophobicContact CE1-CB 3.63Å; Y391-K445 HydrophobicContact CE1-CD 4.16Å; Y391-K445 HydrophobicContact CE1-CG 4.02Å; S441-K445 WeakPolarHBondContact O-CB 3.28Å; S441-K445 PolarHBondContact O-N 3.25Å; K445-R447 VanDerWaalsContact C-N 3.3Å; K445-R447 PolarHBondContact O-N 3.3Å; K445-M448 PolarHBondContact O-N 3.48Å; K445-D449 VanDerWaalsContact NZ-CG 3.35Å; K445-D449 IonicContact NZ-OD1 3.15Å; K445-D449 PolarHBondContact NZ-OD1 2.96Å; K445-D449 IonicContact NZ-OD2 2.74Å; K445-D449 PolarHBondContact NZ-OD2 2.84Å; K445-D449 WeakPolarHBondContact O-CB 3.34Å; K445-D449 PolarHBondContact O-N 3.14Å
446K94.5Very high96Very high140 Ų14063.8 Ų63.861%0.60930%0.303SS*.Hα-helixtrans-62.1-37.2179.1-171.9173.8-178.1177.10112.3D442 L443 L444 N450D442-K446 WeakPolarHBondContact O-CB 3.29Å; D442-K446 PolarHBondContact O-N 2.94Å; L443-K446 PolarHBondContact O-N 3.06Å; L444-K446 VanDerWaalsContact C-N 3.3Å; L444-K446 PolarHBondContact O-N 2.88Å; K446-N450 VanDerWaalsContact O-CB 3.29Å; K446-N450 WeakPolarHBondContact O-CB 3.44Å; K446-N450 VanDerWaalsContact O-CG 3.25Å; K446-N450 PolarHBondContact O-N 2.91Å; K446-N450 PolarHBondContact O-ND2 3.05Å
447R96.4Very high95.8Very high99 Ų9966 Ų6637%0.37432%0.316SS..Hα-helixtrans-67.1-47.8174.7-76170.357.2-147.5-8.9111.5F413 E416 L443 L444 K445 F451F413-R447 HydrophobicContact CE1-CB 4.28Å; E416-R447 IonicContact OE1-CZ 3.77Å; E416-R447 IonicContact OE1-NH1 2.72Å; E416-R447 PolarHBondContact OE1-NH1 2.72Å; E416-R447 VanDerWaalsContact OE1-NH1 3.14Å; E416-R447 IonicContact OE1-NH2 3.71Å; E416-R447 PolarHBondContact OE1-NH2 3.19Å; E416-R447 IonicContact OE2-CZ 3.56Å; E416-R447 IonicContact OE2-NH1 3.36Å; E416-R447 PolarHBondContact OE2-NH1 3.44Å; E416-R447 IonicContact OE2-NH2 3.88Å; L443-R447 WeakPolarHBondContact O-CG 3.44Å; L443-R447 PolarHBondContact O-N 3.23Å; L443-R447 VanDerWaalsContact O-N 3.11Å; L444-R447 WeakPolarHBondContact O-CB 3.41Å; L444-R447 PolarHBondContact O-N 3.12Å; K445-R447 VanDerWaalsContact C-N 3.3Å; K445-R447 PolarHBondContact O-N 3.3Å; R447-F451 WeakPolarHBondContact O-CB 3.4Å; R447-F451 PolarHBondContact O-N 3.31Å
448M96.6Very high95.7Very high0 Ų071.7 Ų71.70%034%0.342CS..Hα-helixtrans-63.6-50.1179.7-70.2175.8171.500111.4Y391 Y393 F413 C417 I435 T437 L444 K445 N450 F451 V452Y391-M448 HydrophobicContact CD2-SD 3.69Å; Y391-M448 HydrophobicContact CE2-SD 4.1Å; Y391-M448 HydrophobicContact CG-SD 4.03Å; Y393-M448 VanDerWaalsContact OH-CB 3.25Å; Y393-M448 WeakPolarHBondContact OH-CB 3.36Å; F413-M448 HydrophobicContact CB-CE 3.96Å; F413-M448 HydrophobicContact CD1-CE 4.17Å; F413-M448 HydrophobicContact CD1-CG 4.1Å; F413-M448 HydrophobicContact CD2-CG 4.26Å; F413-M448 HydrophobicContact CE1-CG 3.94Å; F413-M448 HydrophobicContact CE2-CG 4.11Å; F413-M448 HydrophobicContact CG-CE 4Å; F413-M448 HydrophobicContact CG-CG 4.26Å; F413-M448 HydrophobicContact CZ-CB 4.45Å; F413-M448 HydrophobicContact CZ-CG 3.95Å; C417-M448 VanDerWaalsContact SG-CE 3.54Å; I435-M448 HydrophobicContact CB-CE 4.41Å; I435-M448 HydrophobicContact CB-SD 4.32Å; I435-M448 HydrophobicContact CD1-CG 4.5Å; I435-M448 HydrophobicContact CD1-SD 4.24Å; I435-M448 HydrophobicContact CG2-CE 3.37Å; I435-M448 HydrophobicContact CG2-SD 3.88Å; T437-M448 HydrophobicContact CG2-CE 4.44Å; L444-M448 HydrophobicContact CD1-CE 3.82Å; L444-M448 HydrophobicContact CD1-CG 4.39Å; L444-M448 HydrophobicContact CD2-CE 3.71Å; L444-M448 HydrophobicContact CG-CE 3.58Å; L444-M448 HydrophobicContact CG-CG 4.36Å; L444-M448 HydrophobicContact CG-SD 4Å; L444-M448 WeakPolarHBondContact O-CG 3.36Å; L444-M448 PolarHBondContact O-N 3.33Å; K445-M448 PolarHBondContact O-N 3.48Å; M448-N450 PolarHBondContact O-N 3.41Å; M448-F451 PolarHBondContact O-N 2.84Å; M448-F451 VanDerWaalsContact O-N 3.15Å; M448-V452 WeakPolarHBondContact O-CB 3.25Å; M448-V452 WeakPolarHBondContact O-CG2 3.28Å; M448-V452 PolarHBondContact O-N 2.87Å
449D95.3Very high95.8Very high13 Ų1365 Ų657%0.0731%0.312CS..Hα-helixtrans-57.7-47.7178.3-68.2-8.2000111.2Y393 K445 F451 Y453 F476Y393-D449 VanDerWaalsContact CE1-OD1 3.25Å; Y393-D449 WeakPolarHBondContact CE1-OD1 3.32Å; Y393-D449 PolarHBondContact OH-N 2.94Å; Y393-D449 PolarHBondContact OH-OD1 2.62Å; K445-D449 VanDerWaalsContact NZ-CG 3.35Å; K445-D449 IonicContact NZ-OD1 3.15Å; K445-D449 PolarHBondContact NZ-OD1 2.96Å; K445-D449 IonicContact NZ-OD2 2.74Å; K445-D449 PolarHBondContact NZ-OD2 2.84Å; K445-D449 WeakPolarHBondContact O-CB 3.34Å; K445-D449 PolarHBondContact O-N 3.14Å; D449-F451 VanDerWaalsContact C-N 3.33Å; D449-F451 PolarHBondContact O-N 2.8Å; D449-Y453 HydrophobicContact CB-CD2 3.98Å; D449-Y453 HydrophobicContact CB-CE2 3.86Å; D449-Y453 WeakPolarHBondContact O-CB 3.47Å; D449-Y453 WeakPolarHBondContact O-CD2 3.45Å; D449-Y453 PolarHBondContact O-N 2.85Å; D449-F476 HydrophobicContact CB-CE1 4.19Å; D449-F476 HydrophobicContact CB-CE2 3.66Å; D449-F476 HydrophobicContact CB-CZ 3.38Å
450N94.7Very high95.7Very high67 Ų6762.4 Ų62.436%0.35831%0.313SS..Hα-helixtrans-59.5-42.8177.1-81.9-42.3000112.3K446 M448 K454 F476K446-N450 VanDerWaalsContact O-CB 3.29Å; K446-N450 WeakPolarHBondContact O-CB 3.44Å; K446-N450 VanDerWaalsContact O-CG 3.25Å; K446-N450 PolarHBondContact O-N 2.91Å; K446-N450 PolarHBondContact O-ND2 3.05Å; M448-N450 PolarHBondContact O-N 3.41Å; N450-K454 WeakPolarHBondContact O-CB 3.38Å; N450-K454 PolarHBondContact O-N 3.37Å; N450-F476 WeakPolarHBondContact OD1-CE1 3.4Å
451F96.9Very high95.8Very high46 Ų4659.9 Ų59.920%0.20230%0.298CS..Hα-helixtrans-67.9-57.3178.8174-99.4000111.5E408 I412 F413 R447 M448 D449 Y453 K454 W455E408-F451 HydrophobicContact CB-CE1 4.3Å; E408-F451 HydrophobicContact CB-CZ 3.89Å; I412-F451 HydrophobicContact CD1-CD1 4.37Å; I412-F451 HydrophobicContact CD1-CD2 3.72Å; I412-F451 HydrophobicContact CD1-CE1 3.93Å; I412-F451 HydrophobicContact CD1-CE2 3.21Å; I412-F451 HydrophobicContact CD1-CG 4.28Å; I412-F451 HydrophobicContact CD1-CZ 3.34Å; F413-F451 HydrophobicContact CE2-CB 4.18Å; F413-F451 AromaticContact CE2-CD1 3.71Å; F413-F451 HydrophobicContact CE2-CD1 3.71Å; F413-F451 HydrophobicContact CE2-CE1 4.47Å; F413-F451 HydrophobicContact CE2-CG 4.07Å; F413-F451 HydrophobicContact CZ-CB 3.9Å; F413-F451 HydrophobicContact CZ-CD1 4.28Å; F413-F451 HydrophobicContact CZ-CG 4.19Å; R447-F451 WeakPolarHBondContact O-CB 3.4Å; R447-F451 PolarHBondContact O-N 3.31Å; M448-F451 PolarHBondContact O-N 2.84Å; M448-F451 VanDerWaalsContact O-N 3.15Å; D449-F451 VanDerWaalsContact C-N 3.33Å; D449-F451 PolarHBondContact O-N 2.8Å; F451-Y453 PolarHBondContact O-N 3.13Å; F451-K454 PolarHBondContact O-N 2.89Å; F451-W455 HydrophobicContact CE2-CB 4.42Å; F451-W455 HydrophobicContact CZ-CB 4.23Å; F451-W455 AromaticContact CZ-CD1 3.75Å; F451-W455 HydrophobicContact CZ-CG 4.14Å; F451-W455 WeakPolarHBondContact O-CB 3.35Å; F451-W455 PolarHBondContact O-N 3.48Å
452V97.7Very high95.8Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-59.3-49.5-1731710000110.9Y393 L395 I405 L433 M448 T456Y393-V452 HydrophobicContact CD1-CB 4.2Å; Y393-V452 HydrophobicContact CD1-CG1 3.67Å; Y393-V452 HydrophobicContact CD2-CG1 4.4Å; Y393-V452 HydrophobicContact CD2-CG2 4.41Å; Y393-V452 HydrophobicContact CE1-CB 4.17Å; Y393-V452 HydrophobicContact CE1-CG1 4.16Å; Y393-V452 HydrophobicContact CE1-CG2 4.41Å; Y393-V452 HydrophobicContact CE2-CG2 4.24Å; Y393-V452 HydrophobicContact CG-CG1 3.82Å; L395-V452 HydrophobicContact CD1-CG1 3.76Å; L395-V452 HydrophobicContact CD2-CG1 4.27Å; I405-V452 HydrophobicContact CD1-CG1 4.02Å; L433-V452 HydrophobicContact CD2-CG1 4.21Å; L433-V452 HydrophobicContact CD2-CG2 4.01Å; M448-V452 WeakPolarHBondContact O-CB 3.25Å; M448-V452 WeakPolarHBondContact O-CG2 3.28Å; M448-V452 PolarHBondContact O-N 2.87Å; V452-T456 VanDerWaalsContact O-CB 3.29Å; V452-T456 WeakPolarHBondContact O-CB 3.35Å; V452-T456 PolarHBondContact O-N 3.16Å; V452-T456 PolarHBondContact O-OG1 3.28Å
453Y96.2Very high95.9Very high4 Ų452.3 Ų52.32%0.01626%0.256CS..Hα-helixtrans-70.6-37.9-177.1-63.9-46.2000112.7Y393 L395 D449 F451 V457 I463 F476Y393-Y453 AromaticContact CD1-CE1 3.96Å; Y393-Y453 HydrophobicContact CD1-CE1 3.96Å; Y393-Y453 AromaticContact CD1-CZ 3.87Å; Y393-Y453 HydrophobicContact CE1-CE1 4.45Å; Y393-Y453 HydrophobicContact CE1-CE2 4.28Å; L395-Y453 HydrophobicContact CD2-CD1 4.35Å; L395-Y453 HydrophobicContact CD2-CE1 4.31Å; D449-Y453 HydrophobicContact CB-CD2 3.98Å; D449-Y453 HydrophobicContact CB-CE2 3.86Å; D449-Y453 WeakPolarHBondContact O-CB 3.47Å; D449-Y453 WeakPolarHBondContact O-CD2 3.45Å; D449-Y453 PolarHBondContact O-N 2.85Å; F451-Y453 PolarHBondContact O-N 3.13Å; Y453-V457 WeakPolarHBondContact O-CG2 3.22Å; Y453-V457 PolarHBondContact O-N 3.39Å; Y453-I463 HydrophobicContact CD1-CB 3.6Å; Y453-I463 HydrophobicContact CD1-CG2 3.73Å; Y453-I463 HydrophobicContact CE1-CB 4.07Å; Y453-I463 HydrophobicContact CG-CB 4.44Å; Y453-I463 HydrophobicContact CG-CG2 4.23Å; Y453-F476 HydrophobicContact CD2-CB 3.83Å; Y453-F476 AromaticContact CD2-CD1 3.52Å; Y453-F476 HydrophobicContact CD2-CD1 3.52Å; Y453-F476 AromaticContact CD2-CD2 3.46Å; Y453-F476 HydrophobicContact CD2-CD2 3.46Å; Y453-F476 VanDerWaalsContact CD2-CD2 3.46Å; Y453-F476 AromaticContact CD2-CE1 3.88Å; Y453-F476 HydrophobicContact CD2-CE1 3.88Å; Y453-F476 AromaticContact CD2-CE2 3.83Å; Y453-F476 HydrophobicContact CD2-CE2 3.83Å; Y453-F476 AromaticContact CD2-CG 3.29Å; Y453-F476 HydrophobicContact CD2-CG 3.29Å; Y453-F476 HydrophobicContact CD2-CZ 4.04Å; Y453-F476 HydrophobicContact CE2-CB 4.37Å; Y453-F476 HydrophobicContact CE2-CD1 4.42Å; Y453-F476 AromaticContact CE2-CD2 3.53Å; Y453-F476 HydrophobicContact CE2-CD2 3.53Å; Y453-F476 AromaticContact CE2-CE2 3.85Å; Y453-F476 HydrophobicContact CE2-CE2 3.85Å; Y453-F476 AromaticContact CE2-CG 3.85Å; Y453-F476 HydrophobicContact CE2-CG 3.85Å; Y453-F476 HydrophobicContact CE2-CZ 4.43Å; Y453-F476 HydrophobicContact CG-CB 4.18Å; Y453-F476 HydrophobicContact CG-CD1 4.17Å; Y453-F476 HydrophobicContact CG-CG 4.05Å
454K94.9Very high95.8Very high123 Ų12347 Ų4754%0.53523%0.23SC..Hα-helixtrans-65.7-49.8175.3-178.2177.7170-178.70111.2N450 F451 T456 V457 E458N450-K454 WeakPolarHBondContact O-CB 3.38Å; N450-K454 PolarHBondContact O-N 3.37Å; F451-K454 PolarHBondContact O-N 2.89Å; K454-T456 VanDerWaalsContact C-N 3.26Å; K454-T456 PolarHBondContact O-N 2.9Å; K454-V457 PolarHBondContact O-N 2.83Å; K454-V457 VanDerWaalsContact O-N 3.15Å; K454-E458 WeakPolarHBondContact CE-OE1 3.05Å; K454-E458 HydrophobicContact CG-CG 4.32Å; K454-E458 IonicContact NZ-OE1 3.69Å; K454-E458 WeakPolarHBondContact O-CG 3.16Å; K454-E458 PolarHBondContact O-N 2.89Å
455W97.2Very high95.7Very high23 Ų2348.1 Ų48.19%0.08724%0.241CC..Hα-helixtrans-57.4-42.9178.6-174.6102000111.2L397 K401 A404 I405 F451 V457 E458 N459L397-W455 HydrophobicContact CD1-CH2 4.47Å; L397-W455 HydrophobicContact CD1-CZ3 3.84Å; L397-W455 HydrophobicContact CD2-CE3 4.42Å; L397-W455 HydrophobicContact CD2-CZ3 3.74Å; L397-W455 HydrophobicContact CG-CZ3 4.47Å; K401-W455 HydrophobicContact CB-CH2 4.07Å; A404-W455 HydrophobicContact CB-CH2 4.23Å; A404-W455 HydrophobicContact CB-CZ2 4.12Å; I405-W455 HydrophobicContact CB-CD2 4.47Å; I405-W455 HydrophobicContact CB-CE3 3.91Å; I405-W455 HydrophobicContact CB-CH2 3.81Å; I405-W455 HydrophobicContact CB-CZ2 4.35Å; I405-W455 HydrophobicContact CB-CZ3 3.58Å; I405-W455 HydrophobicContact CD1-CD2 4.35Å; I405-W455 HydrophobicContact CD1-CE3 3.58Å; I405-W455 HydrophobicContact CD1-CZ3 3.94Å; I405-W455 HydrophobicContact CG1-CD2 4.1Å; I405-W455 HydrophobicContact CG1-CE3 3.68Å; I405-W455 HydrophobicContact CG1-CH2 4.47Å; I405-W455 HydrophobicContact CG1-CZ3 3.91Å; F451-W455 HydrophobicContact CE2-CB 4.42Å; F451-W455 HydrophobicContact CZ-CB 4.23Å; F451-W455 AromaticContact CZ-CD1 3.75Å; F451-W455 HydrophobicContact CZ-CG 4.14Å; F451-W455 WeakPolarHBondContact O-CB 3.35Å; F451-W455 PolarHBondContact O-N 3.48Å; W455-V457 VanDerWaalsContact C-N 3.33Å; W455-V457 PolarHBondContact O-N 2.92Å; W455-E458 PolarHBondContact O-N 3.46Å; W455-N459 VanDerWaalsContact CD2-ND2 3.33Å; W455-N459 VanDerWaalsContact CE2-ND2 3.25Å; W455-N459 HydrophobicContact CE3-CB 4.3Å; W455-N459 HydrophobicContact CH2-CB 4.24Å; W455-N459 HydrophobicContact CZ3-CB 4.06Å; W455-N459 WeakPolarHBondContact O-CB 3.39Å; W455-N459 PolarHBondContact O-N 2.66Å; W455-N459 PolarHBondContact O-ND2 2.73Å
456T97.3Very high95.5Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-56.5-48.4177.8-63.80000110.9L395 L397 V452 K454 N459 N460 G461 S462 I463L395-T456 HydrophobicContact CD2-CG2 4.36Å; L397-T456 HydrophobicContact CD2-CG2 3.94Å; V452-T456 VanDerWaalsContact O-CB 3.29Å; V452-T456 WeakPolarHBondContact O-CB 3.35Å; V452-T456 PolarHBondContact O-N 3.16Å; V452-T456 PolarHBondContact O-OG1 3.28Å; K454-T456 VanDerWaalsContact C-N 3.26Å; K454-T456 PolarHBondContact O-N 2.9Å; T456-N459 CarbonylContact O-C 3.5Å; T456-N459 PolarHBondContact O-N 3.14Å; T456-N460 PolarHBondContact O-N 2.84Å; T456-G461 WeakPolarHBondContact O-CA 3.23Å; T456-G461 PolarHBondContact O-N 3.23Å; T456-S462 WeakPolarHBondContact CG2-O 3.19Å; T456-I463 HydrophobicContact CG2-CG2 4.18Å
457V94.3Very high95.4Very high46 Ų4643.5 Ų43.528%0.27922%0.222SC..Hα-helixtrans-71.7-40.2-177.3170.50000111.6Y453 K454 W455 N459 N460 I463 T480Y453-V457 WeakPolarHBondContact O-CG2 3.22Å; Y453-V457 PolarHBondContact O-N 3.39Å; K454-V457 PolarHBondContact O-N 2.83Å; K454-V457 VanDerWaalsContact O-N 3.15Å; W455-V457 VanDerWaalsContact C-N 3.33Å; W455-V457 PolarHBondContact O-N 2.92Å; V457-N459 PolarHBondContact O-N 3.25Å; V457-N460 PolarHBondContact O-N 3.35Å; V457-I463 HydrophobicContact CG2-CG2 3.83Å; V457-T480 HydrophobicContact CB-CG2 4.26Å; V457-T480 HydrophobicContact CG1-CG2 4.47Å; V457-T480 VanDerWaalsContact CG2-CB 3.49Å; V457-T480 HydrophobicContact CG2-CG2 3.64Å
458E95.4Very high95.4Very high125 Ų12539.4 Ų39.458%0.58421%0.211SC*.Hα-helixtrans-62.4-25.4174.8-72.3177.715900112.5K454 W455K454-E458 WeakPolarHBondContact CE-OE1 3.05Å; K454-E458 HydrophobicContact CG-CG 4.32Å; K454-E458 IonicContact NZ-OE1 3.69Å; K454-E458 WeakPolarHBondContact O-CG 3.16Å; K454-E458 PolarHBondContact O-N 2.89Å; W455-E458 PolarHBondContact O-N 3.46Å
459N96.7Very high95.3Very high31 Ų3140.2 Ų40.217%0.16622%0.215CC..THydrogen-bonded Turntrans-97.720.9174.1-72.1-89.4000113.3P398 K401 W455 T456 V457 G461P398-N459 WeakPolarHBondContact CD-O 3.46Å; P398-N459 WeakPolarHBondContact CG-O 3.43Å; K401-N459 VanDerWaalsContact CE-OD1 3.31Å; K401-N459 WeakPolarHBondContact CE-OD1 3.43Å; K401-N459 HydrophobicContact CG-CB 4.43Å; W455-N459 VanDerWaalsContact CD2-ND2 3.33Å; W455-N459 VanDerWaalsContact CE2-ND2 3.25Å; W455-N459 HydrophobicContact CE3-CB 4.3Å; W455-N459 HydrophobicContact CH2-CB 4.24Å; W455-N459 HydrophobicContact CZ3-CB 4.06Å; W455-N459 WeakPolarHBondContact O-CB 3.39Å; W455-N459 PolarHBondContact O-N 2.66Å; W455-N459 PolarHBondContact O-ND2 2.73Å; T456-N459 CarbonylContact O-C 3.5Å; T456-N459 PolarHBondContact O-N 3.14Å; V457-N459 PolarHBondContact O-N 3.25Å; N459-G461 VanDerWaalsContact C-N 3.27Å; N459-G461 PolarHBondContact O-N 2.82Å
460N94.8Very high95.4Very high149 Ų14939.6 Ų39.680%0.79721%0.211SC*.THydrogen-bonded Turntrans59.131.1177.9-55.4-62.6000114.6T456 V457T456-N460 PolarHBondContact O-N 2.84Å; V457-N460 PolarHBondContact O-N 3.35Å
461G96.5Very high95.5Very high15 Ų1538.3 Ų38.316%0.15520%0.203CC..  trans-93.2178.2175.100000114.7S396 T456 N459S396-G461 CarbonylContact O-C 3.43Å; S396-G461 WeakPolarHBondContact O-CA 3.5Å; T456-G461 WeakPolarHBondContact O-CA 3.23Å; T456-G461 PolarHBondContact O-N 3.23Å; N459-G461 VanDerWaalsContact C-N 3.27Å; N459-G461 PolarHBondContact O-N 2.82Å
462S95.4Very high95.3Very high31 Ų3138 Ų3822%0.21720%0.203CC..BIsolated β-bridgetrans-108.7133.9169.8-172.20000110.7L395 S396 T456 S464L395-S462 WeakPolarHBondContact CA-O 3.41Å; S396-S462 PolarHBondContact N-O 2.69Å; S396-S462 PolarHBondContact O-N 3.33Å; T456-S462 WeakPolarHBondContact CG2-O 3.19Å; S462-S464 PolarHBondContact O-N 2.92Å; S462-S464 PolarHBondContact OG-N 3.15Å; S462-S464 PolarHBondContact OG-O 3.04Å
463I95.6Very high95.2Very high2 Ų238.2 Ų38.21%0.0120%0.204CC..SBendtrans-74.7-6.717765.9166.8000113.9D394 Y453 T456 V457 K473 F476 W477D394-I463 CarbonylContact O-C 3.47Å; D394-I463 VanDerWaalsContact O-O 3.04Å; Y453-I463 HydrophobicContact CD1-CB 3.6Å; Y453-I463 HydrophobicContact CD1-CG2 3.73Å; Y453-I463 HydrophobicContact CE1-CB 4.07Å; Y453-I463 HydrophobicContact CG-CB 4.44Å; Y453-I463 HydrophobicContact CG-CG2 4.23Å; T456-I463 HydrophobicContact CG2-CG2 4.18Å; V457-I463 HydrophobicContact CG2-CG2 3.83Å; I463-K473 PolarHBondContact O-NZ 3.28Å; I463-F476 HydrophobicContact CD1-CB 4.14Å; I463-W477 HydrophobicContact CD1-CB 4.04Å
464S95Very high95.1Very high14 Ų1438.5 Ų38.510%0.09821%0.206CC..  trans-149.4115.8174.8-153.70000108.3D394 S462 G468 K473D394-S464 VanDerWaalsContact O-CA 3.3Å; D394-S464 WeakPolarHBondContact O-CA 3.18Å; S462-S464 PolarHBondContact O-N 2.92Å; S462-S464 PolarHBondContact OG-N 3.15Å; S462-S464 PolarHBondContact OG-O 3.04Å; S464-G468 VanDerWaalsContact CB-O 3.27Å; S464-G468 WeakPolarHBondContact CB-O 3.22Å; S464-G468 PolarHBondContact OG-N 3.36Å; S464-G468 PolarHBondContact OG-O 2.9Å; S464-K473 VanDerWaalsContact CB-NZ 3.31Å; S464-K473 PolarHBondContact OG-NZ 3.12Å
465A94.4Very high94.8Very high36 Ų3635.5 Ų35.530%0.29820%0.201SC..SBendtrans-86.1-47.2178.900000110.4D394 S396 N430D394-A465 WeakPolarHBondContact OD1-CB 3.4Å; D394-A465 PolarHBondContact OD2-N 3.4Å; S396-A465 WeakPolarHBondContact OG-CA 3.4Å; S396-A465 WeakPolarHBondContact OG-CB 3.49Å; N430-A465 HydrophobicContact CB-CB 3.91Å; N430-A465 WeakPolarHBondContact ND2-CB 3.26Å
466E90.6Very high94.5Very high34 Ų3435.6 Ų35.616%0.15920%0.202CC..SBendtrans-127.6-33.6-170.2-60.1-169146.400113.2G143 D394 H425 N430 G468G143-E466 PolarHBondContact N-OE1 2.72Å; G143-E466 VanDerWaalsContact N-OE1 3.16Å; D394-E466 PolarHBondContact OD2-N 3.4Å; H425-E466 IonicContact CD2-OE1 3.16Å; N430-E466 WeakPolarHBondContact OD1-CG 3.32Å; E466-G468 VanDerWaalsContact C-N 3.32Å; E466-G468 PolarHBondContact O-N 2.84Å
467H92.6Very high94.2Very high55 Ų5536.8 Ų36.826%0.25521%0.207SC..SBendtrans-80.6-7-167-58.9154.4000115.3V69 D394V69-H467 HydrophobicContact CG1-CB 3.88Å; V69-H467 WeakPolarHBondContact CG2-O 2.9Å; D394-H467 WeakPolarHBondContact CB-ND1 3.41Å; D394-H467 IonicContact OD2-CG 2.83Å; D394-H467 PolarHBondContact OD2-N 2.77Å; D394-H467 IonicContact OD2-ND1 3.24Å
468G94.8Very high93.9Very high14 Ų1436.8 Ų36.814%0.14420%0.203CC..  trans77.5-165.8-17400000113.3S464 E466S464-G468 VanDerWaalsContact CB-O 3.27Å; S464-G468 WeakPolarHBondContact CB-O 3.22Å; S464-G468 PolarHBondContact OG-N 3.36Å; S464-G468 PolarHBondContact OG-O 2.9Å; E466-G468 VanDerWaalsContact C-N 3.32Å; E466-G468 PolarHBondContact O-N 2.84Å
469I96.1Very high93.5Very high16 Ų1637.6 Ų37.68%0.08221%0.209CC..  trans-106.3-45.3-174.2-57.7-55.3000111.8E194 K473 L474 W477 T507E194-I469 PolarHBondContact OE1-N 3.22Å; E194-I469 PolarHBondContact OE2-N 2.64Å; I469-K473 HydrophobicContact CD1-CB 4.37Å; I469-K473 HydrophobicContact CG2-CB 4.12Å; I469-K473 WeakPolarHBondContact O-CB 3.44Å; I469-K473 PolarHBondContact O-N 3.01Å; I469-L474 HydrophobicContact CG2-CB 4.39Å; I469-W477 HydrophobicContact CD1-CB 4.12Å; I469-W477 VanDerWaalsContact CD1-CD1 3.48Å; I469-W477 HydrophobicContact CD1-CG 3.99Å; I469-W477 HydrophobicContact CG1-CB 4.45Å; I469-W477 HydrophobicContact CG1-CG 4.1Å; I469-W477 HydrophobicContact CG2-CB 3.88Å; I469-W477 HydrophobicContact CG2-CG 4.21Å; I469-T507 HydrophobicContact CB-CG2 3.68Å; I469-T507 HydrophobicContact CG1-CG2 3.95Å; I469-T507 HydrophobicContact CG2-CG2 4.16Å
470G96.2Very high92.9Very high0 Ų037.7 Ų37.70%021%0.21CC..THydrogen-bonded Turntrans48.4-138.9-179.100000114.7V69 E194 T507V69-G470 CarbonylContact O-C 3.58Å; V69-G470 WeakPolarHBondContact O-CA 3.46Å; E194-G470 WeakPolarHBondContact OE2-CA 3.23Å; E194-G470 PolarHBondContact OE2-N 2.86Å; G470-T507 PolarHBondContact N-OG1 2.82Å; G470-T507 PolarHBondContact O-N 2.72Å
471Q96.2Very high92.5Very high40 Ų4035 Ų3519%0.18719%0.189CC..THydrogen-bonded Turntrans-80.8-42.6170.7-61.8-177.15500110.8F29 V69 G70 V73 V75 K473 L474 K506F29-Q471 HydrophobicContact CD1-CB 3.99Å; F29-Q471 HydrophobicContact CD1-CG 4.46Å; F29-Q471 HydrophobicContact CE1-CB 3.73Å; F29-Q471 HydrophobicContact CZ-CB 4.3Å; V69-Q471 PolarHBondContact O-N 2.86Å; G70-Q471 WeakPolarHBondContact O-CG 3.41Å; G70-Q471 PolarHBondContact O-NE2 3.28Å; V73-Q471 PolarHBondContact O-NE2 3.01Å; V73-Q471 VanDerWaalsContact O-NE2 3.1Å; V75-Q471 HydrophobicContact CG2-CG 3.98Å; Q471-K473 PolarHBondContact O-N 3.4Å; Q471-L474 PolarHBondContact O-N 2.96Å; Q471-K506 HydrophobicContact CB-CG 4.47Å; Q471-K506 HydrophobicContact CG-CD 3.55Å; Q471-K506 HydrophobicContact CG-CG 3.45Å; Q471-K506 VanDerWaalsContact CG-CG 3.45Å
472L93.9Very high92.2Very high39 Ų3937.9 Ų37.920%0.20421%0.205CC..THydrogen-bonded Turntrans-60.7-43.3-166.8178.261.9000113.1F29 V69F29-L472 HydrophobicContact CE2-CB 4.08Å; F29-L472 HydrophobicContact CE2-CD1 4.37Å; F29-L472 HydrophobicContact CZ-CB 3.76Å; F29-L472 HydrophobicContact CZ-CD1 3.92Å; F29-L472 HydrophobicContact CZ-CG 4.41Å; V69-L472 HydrophobicContact CB-CB 4.15Å; V69-L472 HydrophobicContact CG1-CD2 4.4Å; V69-L472 PolarHBondContact O-N 3.43Å
473K94.6Very high92Very high5 Ų540.2 Ų40.22%0.02222%0.218CC..THydrogen-bonded Turntrans-104.93-171.3-55.1-176.6-178.7-175.20113.1V69 D394 I463 S464 I469 Q471 S475 F476 W477V69-K473 HydrophobicContact CG1-CD 4.43Å; D394-K473 PolarHBondContact O-NZ 3.49Å; I463-K473 PolarHBondContact O-NZ 3.28Å; S464-K473 VanDerWaalsContact CB-NZ 3.31Å; S464-K473 PolarHBondContact OG-NZ 3.12Å; I469-K473 HydrophobicContact CD1-CB 4.37Å; I469-K473 HydrophobicContact CG2-CB 4.12Å; I469-K473 WeakPolarHBondContact O-CB 3.44Å; I469-K473 PolarHBondContact O-N 3.01Å; Q471-K473 PolarHBondContact O-N 3.4Å; K473-S475 PolarHBondContact O-N 2.92Å; K473-F476 PolarHBondContact O-N 3.28Å; K473-W477 WeakPolarHBondContact O-CB 3.32Å; K473-W477 PolarHBondContact O-N 3.13Å
474L93.9Very high92Very high10 Ų1043.8 Ų43.85%0.05224%0.244CC..Hα-helixtrans-57.5-52.4-171.2179.356.6000113.1I469 Q471 F476 W477 Q478 H505 T507 Q509I469-L474 HydrophobicContact CG2-CB 4.39Å; Q471-L474 PolarHBondContact O-N 2.96Å; L474-F476 VanDerWaalsContact C-N 3.33Å; L474-F476 PolarHBondContact O-N 3.05Å; L474-W477 PolarHBondContact O-N 3.28Å; L474-Q478 HydrophobicContact CD1-CG 4.3Å; L474-Q478 WeakPolarHBondContact O-CG 3.3Å; L474-Q478 PolarHBondContact O-N 2.99Å; L474-H505 WeakPolarHBondContact CD2-O 3.5Å; L474-T507 VanDerWaalsContact CD1-C 3.49Å; L474-T507 WeakPolarHBondContact CD1-O 3.42Å; L474-Q509 HydrophobicContact CD1-CG 4.31Å; L474-Q509 HydrophobicContact CD2-CG 3.94Å; L474-Q509 HydrophobicContact CG-CG 4.41Å
475S90.4Very high91.9Very high61 Ų6146.3 Ų46.343%0.42726%0.258SS..Hα-helixtrans-59.8-43.9-178.654.80000111.8K473 Q478 M479K473-S475 PolarHBondContact O-N 2.92Å; S475-Q478 PolarHBondContact O-N 2.95Å; S475-M479 VanDerWaalsContact O-CG 3.3Å; S475-M479 WeakPolarHBondContact O-CG 3.32Å; S475-M479 PolarHBondContact O-N 3.32Å
476F90.9Very high91.9Very high24 Ų2445.3 Ų45.311%0.10525%0.248CC..Hα-helixtrans-68.4-40178-69.4-72.8000112.5D449 N450 Y453 I463 K473 L474 Q478 M479 T480D449-F476 HydrophobicContact CB-CE1 4.19Å; D449-F476 HydrophobicContact CB-CE2 3.66Å; D449-F476 HydrophobicContact CB-CZ 3.38Å; N450-F476 WeakPolarHBondContact OD1-CE1 3.4Å; Y453-F476 HydrophobicContact CD2-CB 3.83Å; Y453-F476 AromaticContact CD2-CD1 3.52Å; Y453-F476 HydrophobicContact CD2-CD1 3.52Å; Y453-F476 AromaticContact CD2-CD2 3.46Å; Y453-F476 HydrophobicContact CD2-CD2 3.46Å; Y453-F476 VanDerWaalsContact CD2-CD2 3.46Å; Y453-F476 AromaticContact CD2-CE1 3.88Å; Y453-F476 HydrophobicContact CD2-CE1 3.88Å; Y453-F476 AromaticContact CD2-CE2 3.83Å; Y453-F476 HydrophobicContact CD2-CE2 3.83Å; Y453-F476 AromaticContact CD2-CG 3.29Å; Y453-F476 HydrophobicContact CD2-CG 3.29Å; Y453-F476 HydrophobicContact CD2-CZ 4.04Å; Y453-F476 HydrophobicContact CE2-CB 4.37Å; Y453-F476 HydrophobicContact CE2-CD1 4.42Å; Y453-F476 AromaticContact CE2-CD2 3.53Å; Y453-F476 HydrophobicContact CE2-CD2 3.53Å; Y453-F476 AromaticContact CE2-CE2 3.85Å; Y453-F476 HydrophobicContact CE2-CE2 3.85Å; Y453-F476 AromaticContact CE2-CG 3.85Å; Y453-F476 HydrophobicContact CE2-CG 3.85Å; Y453-F476 HydrophobicContact CE2-CZ 4.43Å; Y453-F476 HydrophobicContact CG-CB 4.18Å; Y453-F476 HydrophobicContact CG-CD1 4.17Å; Y453-F476 HydrophobicContact CG-CG 4.05Å; I463-F476 HydrophobicContact CD1-CB 4.14Å; K473-F476 PolarHBondContact O-N 3.28Å; L474-F476 VanDerWaalsContact C-N 3.33Å; L474-F476 PolarHBondContact O-N 3.05Å; F476-Q478 VanDerWaalsContact C-N 3.3Å; F476-Q478 PolarHBondContact O-N 3.15Å; F476-M479 PolarHBondContact O-N 3.32Å; F476-T480 WeakPolarHBondContact O-CB 3.43Å; F476-T480 WeakPolarHBondContact O-CG2 3.37Å; F476-T480 PolarHBondContact O-N 3.06Å; F476-T480 PolarHBondContact O-OG1 3.25Å
477W90.7Very high92Very high26 Ų2651.5 Ų51.510%0.09827%0.269CS..Hα-helixtrans-59.1-43.5174.2-177.787.3000111.2I463 I469 K473 L474 T480 R481 L486 C489 L508I463-W477 HydrophobicContact CD1-CB 4.04Å; I469-W477 HydrophobicContact CD1-CB 4.12Å; I469-W477 VanDerWaalsContact CD1-CD1 3.48Å; I469-W477 HydrophobicContact CD1-CG 3.99Å; I469-W477 HydrophobicContact CG1-CB 4.45Å; I469-W477 HydrophobicContact CG1-CG 4.1Å; I469-W477 HydrophobicContact CG2-CB 3.88Å; I469-W477 HydrophobicContact CG2-CG 4.21Å; K473-W477 WeakPolarHBondContact O-CB 3.32Å; K473-W477 PolarHBondContact O-N 3.13Å; L474-W477 PolarHBondContact O-N 3.28Å; W477-T480 PolarHBondContact O-N 2.98Å; W477-T480 PolarHBondContact O-OG1 3.27Å; W477-R481 HydrophobicContact CD2-CG 4.19Å; W477-R481 HydrophobicContact CG-CG 4.34Å; W477-R481 HydrophobicContact CZ2-CG 4.35Å; W477-R481 WeakPolarHBondContact O-CB 3.32Å; W477-R481 WeakPolarHBondContact O-CG 3.27Å; W477-R481 PolarHBondContact O-N 3.18Å; W477-L486 HydrophobicContact CD2-CD2 4.43Å; W477-L486 HydrophobicContact CE3-CD2 3.76Å; W477-L486 HydrophobicContact CH2-CD2 3.32Å; W477-L486 HydrophobicContact CZ2-CD2 4.05Å; W477-L486 HydrophobicContact CZ3-CD2 3.16Å; W477-C489 HydrophobicContact CH2-CB 4.34Å; W477-L508 HydrophobicContact CH2-CD2 3.51Å; W477-L508 HydrophobicContact CZ2-CD2 4.33Å; W477-L508 HydrophobicContact CZ3-CD2 3.88Å
478Q88.1Confident92.2Very high45 Ų4555.5 Ų55.521%0.2129%0.288CS..Hα-helixtrans-65-41.4176.3-68.2177-61.800112.6L474 S475 F476 T480 L486L474-Q478 HydrophobicContact CD1-CG 4.3Å; L474-Q478 WeakPolarHBondContact O-CG 3.3Å; L474-Q478 PolarHBondContact O-N 2.99Å; S475-Q478 PolarHBondContact O-N 2.95Å; F476-Q478 VanDerWaalsContact C-N 3.3Å; F476-Q478 PolarHBondContact O-N 3.15Å; Q478-T480 VanDerWaalsContact C-N 3.25Å; Q478-T480 PolarHBondContact O-N 3.04Å; Q478-L486 WeakPolarHBondContact O-CD1 3.25Å
479M85.5Confident92.2Very high143 Ų14356.5 Ų56.570%0.70429%0.293SS*.Hα-helixtrans-68-25.5-179.6-73.8177.16300113.4S475 F476S475-M479 VanDerWaalsContact O-CG 3.3Å; S475-M479 WeakPolarHBondContact O-CG 3.32Å; S475-M479 PolarHBondContact O-N 3.32Å; F476-M479 PolarHBondContact O-N 3.32Å
480T84Confident92.2Very high32 Ų3256 Ų5620%0.19629%0.291CS..Hα-helixtrans-105.3-5.9-169.656.90000114.1V457 F476 W477 Q478V457-T480 HydrophobicContact CB-CG2 4.26Å; V457-T480 HydrophobicContact CG1-CG2 4.47Å; V457-T480 VanDerWaalsContact CG2-CB 3.49Å; V457-T480 HydrophobicContact CG2-CG2 3.64Å; F476-T480 WeakPolarHBondContact O-CB 3.43Å; F476-T480 WeakPolarHBondContact O-CG2 3.37Å; F476-T480 PolarHBondContact O-N 3.06Å; F476-T480 PolarHBondContact O-OG1 3.25Å; W477-T480 PolarHBondContact O-N 2.98Å; W477-T480 PolarHBondContact O-OG1 3.27Å; Q478-T480 VanDerWaalsContact C-N 3.25Å; Q478-T480 PolarHBondContact O-N 3.04Å
481R87.7Confident92.2Very high94 Ų9458.1 Ų58.136%0.35531%0.309SS..SBendtrans-100.9144.2179.7-68.4-65.7-177.4-156.91.2112.2W477 T483 L486W477-R481 HydrophobicContact CD2-CG 4.19Å; W477-R481 HydrophobicContact CG-CG 4.34Å; W477-R481 HydrophobicContact CZ2-CG 4.35Å; W477-R481 WeakPolarHBondContact O-CB 3.32Å; W477-R481 WeakPolarHBondContact O-CG 3.27Å; W477-R481 PolarHBondContact O-N 3.18Å; R481-T483 PolarHBondContact O-N 2.97Å; R481-L486 HydrophobicContact CB-CD1 4.37Å; R481-L486 HydrophobicContact CB-CD2 3.68Å; R481-L486 HydrophobicContact CB-CG 3.88Å; R481-L486 HydrophobicContact CG-CD2 4.35Å
482P90.4Very high92.2Very high75 Ų7559.6 Ų59.649%0.48732%0.316SS..  trans-57.8136.2172.6-22.632.7000111.2S484 V485 L486P482-S484 PolarHBondContact O-N 3.33Å; P482-S484 VanDerWaalsContact O-N 3.08Å; P482-V485 HydrophobicContact CB-CG2 4.25Å; P482-V485 HydrophobicContact CG-CG2 4.32Å; P482-V485 WeakPolarHBondContact O-CB 3.47Å; P482-V485 PolarHBondContact O-N 3.33Å; P482-L486 PolarHBondContact O-N 2.75Å; P482-L486 VanDerWaalsContact O-N 3.15Å
483T91.1Very high92.3Very high79 Ų7957.7 Ų57.749%0.48531%0.306SS..Hα-helixtrans-55.8-31179.5-47.60000112.8R481 L486 R487R481-T483 PolarHBondContact O-N 2.97Å; T483-L486 PolarHBondContact O-N 3.41Å; T483-R487 VanDerWaalsContact O-CG 3.32Å; T483-R487 WeakPolarHBondContact O-CG 3.47Å; T483-R487 PolarHBondContact O-N 2.84Å
484S94.8Very high92.4Very high78 Ų7862.4 Ų62.455%0.54532%0.324SS..Hα-helixtrans-61.6-43.8175.151.90000112.5P482 Q488P482-S484 PolarHBondContact O-N 3.33Å; P482-S484 VanDerWaalsContact O-N 3.08Å; S484-Q488 WeakPolarHBondContact O-CG 3.17Å; S484-Q488 PolarHBondContact O-N 3.48Å
485V93Very high92.5Very high67 Ų6767 Ų6741%0.40635%0.345SS..Hα-helixtrans-66.2-47177.3176.40000109.9P482 R487 Q488 C489P482-V485 HydrophobicContact CB-CG2 4.25Å; P482-V485 HydrophobicContact CG-CG2 4.32Å; P482-V485 WeakPolarHBondContact O-CB 3.47Å; P482-V485 PolarHBondContact O-N 3.33Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.81Å; V485-Q488 PolarHBondContact O-N 2.75Å; V485-C489 PolarHBondContact O-N 3.3Å; V485-C489 PolarHBondContact O-SG 2.91Å; V485-C489 VanDerWaalsContact O-SG 3.41Å
486L93.4Very high92.9Very high14 Ų1464.8 Ų64.87%0.07333%0.328CS..Hα-helixtrans-57.1-42.3179-65.9-178.6000112.4W477 Q478 R481 P482 T483 Q488 C489 A490 I511W477-L486 HydrophobicContact CD2-CD2 4.43Å; W477-L486 HydrophobicContact CE3-CD2 3.76Å; W477-L486 HydrophobicContact CH2-CD2 3.32Å; W477-L486 HydrophobicContact CZ2-CD2 4.05Å; W477-L486 HydrophobicContact CZ3-CD2 3.16Å; Q478-L486 WeakPolarHBondContact O-CD1 3.25Å; R481-L486 HydrophobicContact CB-CD1 4.37Å; R481-L486 HydrophobicContact CB-CD2 3.68Å; R481-L486 HydrophobicContact CB-CG 3.88Å; R481-L486 HydrophobicContact CG-CD2 4.35Å; P482-L486 PolarHBondContact O-N 2.75Å; P482-L486 VanDerWaalsContact O-N 3.15Å; T483-L486 PolarHBondContact O-N 3.41Å; L486-Q488 PolarHBondContact O-N 2.87Å; L486-C489 PolarHBondContact O-N 2.77Å; L486-A490 PolarHBondContact O-N 3.4Å; L486-I511 HydrophobicContact CB-CD1 3.45Å; L486-I511 VanDerWaalsContact CB-CD1 3.45Å; L486-I511 HydrophobicContact CD1-CD1 4.29Å; L486-I511 HydrophobicContact CG-CD1 4.36Å
487R94.6Very high93.2Very high164 Ų16463.7 Ų63.762%0.61932%0.323SS*.Hα-helixtrans-62.1-39.4175.2-75.9177.3-173.8159.73.8112.7T483 V485 A490 A491T483-R487 VanDerWaalsContact O-CG 3.32Å; T483-R487 WeakPolarHBondContact O-CG 3.47Å; T483-R487 PolarHBondContact O-N 2.84Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.81Å; R487-A490 PolarHBondContact O-N 2.9Å; R487-A491 WeakPolarHBondContact O-CB 3.4Å; R487-A491 PolarHBondContact O-N 2.89Å
488Q95.7Very high93.4Very high139 Ų13966 Ų6665%0.6534%0.341SS*.Hα-helixtrans-67.7-41.3177.2-65.7-59-26.100111.6S484 V485 L486 A490 A491 M492S484-Q488 WeakPolarHBondContact O-CG 3.17Å; S484-Q488 PolarHBondContact O-N 3.48Å; V485-Q488 PolarHBondContact O-N 2.75Å; L486-Q488 PolarHBondContact O-N 2.87Å; Q488-A490 PolarHBondContact O-N 3.34Å; Q488-A491 PolarHBondContact O-N 3.4Å; Q488-M492 WeakPolarHBondContact O-CB 3.41Å; Q488-M492 PolarHBondContact O-N 3.06Å
489C95.2Very high93.8Very high36 Ų3666.3 Ų66.324%0.24336%0.356CS..Hα-helixtrans-60.7-45.9173.9-62.70000111.7W477 V485 L486 A491 M492 K493 L508W477-C489 HydrophobicContact CH2-CB 4.34Å; V485-C489 PolarHBondContact O-N 3.3Å; V485-C489 PolarHBondContact O-SG 2.91Å; V485-C489 VanDerWaalsContact O-SG 3.41Å; L486-C489 PolarHBondContact O-N 2.77Å; C489-A491 VanDerWaalsContact C-N 3.34Å; C489-A491 PolarHBondContact O-N 2.88Å; C489-M492 PolarHBondContact O-N 2.72Å; C489-K493 WeakPolarHBondContact O-CB 3.46Å; C489-K493 PolarHBondContact O-N 2.93Å; C489-L508 HydrophobicContact CB-CD1 4.26Å; C489-L508 HydrophobicContact CB-CD2 3.67Å
490A95.4Very high94.4Very high5 Ų561.5 Ų61.54%0.04133%0.33CS..Hα-helixtrans-64.4-37.4177.100000112.5L486 R487 Q488 R494L486-A490 PolarHBondContact O-N 3.4Å; R487-A490 PolarHBondContact O-N 2.9Å; Q488-A490 PolarHBondContact O-N 3.34Å; A490-R494 WeakPolarHBondContact O-CB 3.42Å; A490-R494 PolarHBondContact O-N 3.36Å
491A96.1Very high95Very high45 Ų4560.2 Ų60.237%0.37232%0.323SS..Hα-helixtrans-64.2-43.2174.400000111.8R487 Q488 C489 R494 H495R487-A491 WeakPolarHBondContact O-CB 3.4Å; R487-A491 PolarHBondContact O-N 2.89Å; Q488-A491 PolarHBondContact O-N 3.4Å; C489-A491 VanDerWaalsContact C-N 3.34Å; C489-A491 PolarHBondContact O-N 2.88Å; A491-R494 PolarHBondContact O-N 3.34Å; A491-H495 PolarHBondContact O-N 2.75Å
492M95.7Very high95.5Very high70 Ų7055.8 Ų55.835%0.34531%0.306SS..Hα-helixtrans-63.2-46.4176.3-168.164.274.200111.7L189 L197 Q488 C489 R494 H495 F496L189-M492 HydrophobicContact CD1-CE 4.25Å; L189-M492 HydrophobicContact CD1-SD 4.17Å; L189-M492 HydrophobicContact CD2-CE 4.11Å; L197-M492 HydrophobicContact CD1-CG 4.06Å; L197-M492 HydrophobicContact CD2-CG 4.21Å; Q488-M492 WeakPolarHBondContact O-CB 3.41Å; Q488-M492 PolarHBondContact O-N 3.06Å; C489-M492 PolarHBondContact O-N 2.72Å; M492-R494 VanDerWaalsContact C-N 3.34Å; M492-R494 PolarHBondContact O-N 2.77Å; M492-H495 WeakPolarHBondContact O-CB 3.02Å; M492-H495 PolarHBondContact O-N 2.91Å; M492-H495 VanDerWaalsContact O-N 3.17Å; M492-F496 HydrophobicContact CG-CD2 4.09Å; M492-F496 HydrophobicContact CG-CE2 4.1Å; M492-F496 WeakPolarHBondContact O-CD2 3.48Å; M492-F496 PolarHBondContact O-N 2.71Å; M492-F496 VanDerWaalsContact O-N 3.14Å; M492-F496 HydrophobicContact SD-CD2 3.96Å; M492-F496 HydrophobicContact SD-CE2 3.51Å; M492-F496 VanDerWaalsContact SD-CE2 3.51Å
493K97.1Very high95.8Very high0 Ų052.5 Ų52.50%028%0.284CS..Hα-helixtrans-56.5-47.8174.1174.756.3168.9173.40111.3Q196 L197 C489 H495 F496 D497 W500 L502 L508Q196-K493 HydrophobicContact CB-CD 4.32Å; Q196-K493 WeakPolarHBondContact O-CD 3.35Å; Q196-K493 WeakPolarHBondContact O-CE 3.27Å; Q196-K493 PolarHBondContact O-NZ 3.03Å; Q196-K493 VanDerWaalsContact OE1-CE 3.29Å; L197-K493 HydrophobicContact CD2-CB 4.45Å; C489-K493 WeakPolarHBondContact O-CB 3.46Å; C489-K493 PolarHBondContact O-N 2.93Å; K493-H495 VanDerWaalsContact C-N 3.27Å; K493-H495 PolarHBondContact O-N 2.04Å; K493-F496 PolarHBondContact O-N 2.75Å; K493-D497 HydrophobicContact CD-CB 4.18Å; K493-D497 WeakPolarHBondContact CE-OD2 3.43Å; K493-D497 IonicContact NZ-OD2 3.14Å; K493-D497 PolarHBondContact NZ-OD2 3.01Å; K493-D497 CarbonylContact O-C 3.55Å; K493-D497 WeakPolarHBondContact O-CA 3.44Å; K493-D497 PolarHBondContact O-N 3Å; K493-W500 HydrophobicContact CB-CH2 4.09Å; K493-W500 HydrophobicContact CB-CZ2 4.17Å; K493-W500 HydrophobicContact CG-CD2 4.07Å; K493-W500 HydrophobicContact CG-CE3 3.94Å; K493-W500 HydrophobicContact CG-CH2 3.51Å; K493-W500 HydrophobicContact CG-CZ2 3.67Å; K493-W500 HydrophobicContact CG-CZ3 3.66Å; K493-L502 PolarHBondContact NZ-O 2.92Å; K493-L508 HydrophobicContact CB-CD1 3.91Å; K493-L508 HydrophobicContact CG-CD1 4.48Å
494R96.6Very high96.1Very high104 Ų10449.6 Ų49.639%0.39227%0.266SS..Hα-helixtrans-64.8-30.2178.7-169178.4-64.8111.9-6.9112.9A490 A491 M492 P498 N510A490-R494 WeakPolarHBondContact O-CB 3.42Å; A490-R494 PolarHBondContact O-N 3.36Å; A491-R494 PolarHBondContact O-N 3.34Å; M492-R494 VanDerWaalsContact C-N 3.34Å; M492-R494 PolarHBondContact O-N 2.77Å; R494-P498 VanDerWaalsContact O-CA 3.3Å; R494-P498 WeakPolarHBondContact O-CA 3.38Å; R494-P498 WeakPolarHBondContact O-CG 3.13Å; R494-N510 PolarHBondContact NH2-OD1 2.62Å
495H96.7Very high96.1Very high107 Ų10750.5 Ų50.550%0.49526%0.262SS..Hα-helixtrans-66.9-55174.9178.567.8000111.1L165 A491 M492 K493L165-H495 WeakPolarHBondContact CD1-O 3.42Å; A491-H495 PolarHBondContact O-N 2.75Å; M492-H495 WeakPolarHBondContact O-CB 3.02Å; M492-H495 PolarHBondContact O-N 2.91Å; M492-H495 VanDerWaalsContact O-N 3.17Å; K493-H495 VanDerWaalsContact C-N 3.27Å; K493-H495 PolarHBondContact O-N 2.04Å
496F97.5Very high96.2Very high13 Ų1347.4 Ų47.46%0.05724%0.243CC..Hα-helixtrans-75.2-29.9-177-75-71.9000113.9V163 P164 L165 L171 L189 F190 L197 M492 K493V163-F496 HydrophobicContact CB-CD1 4.35Å; V163-F496 HydrophobicContact CG1-CD1 4.03Å; P164-F496 VanDerWaalsContact CD-O 3.27Å; P164-F496 WeakPolarHBondContact CD-O 3.5Å; L165-F496 PolarHBondContact N-O 2.85Å; L171-F496 HydrophobicContact CD1-CE1 3.97Å; L189-F496 HydrophobicContact CD1-CE2 4.05Å; L189-F496 HydrophobicContact CD1-CZ 4.2Å; F190-F496 HydrophobicContact CZ-CD1 4.47Å; F190-F496 HydrophobicContact CZ-CE1 4.13Å; F190-F496 HydrophobicContact CZ-CZ 4.44Å; L197-F496 HydrophobicContact CB-CB 4.31Å; L197-F496 HydrophobicContact CB-CD2 4.18Å; L197-F496 HydrophobicContact CB-CG 4.31Å; L197-F496 HydrophobicContact CD1-CD2 4.19Å; L197-F496 HydrophobicContact CD1-CE2 4.37Å; L197-F496 HydrophobicContact CD2-CD2 4.19Å; L197-F496 HydrophobicContact CG-CD2 4.42Å; L197-F496 WeakPolarHBondContact O-CB 3.21Å; M492-F496 HydrophobicContact CG-CD2 4.09Å; M492-F496 HydrophobicContact CG-CE2 4.1Å; M492-F496 WeakPolarHBondContact O-CD2 3.48Å; M492-F496 PolarHBondContact O-N 2.71Å; M492-F496 VanDerWaalsContact O-N 3.14Å; M492-F496 HydrophobicContact SD-CD2 3.96Å; M492-F496 HydrophobicContact SD-CE2 3.51Å; M492-F496 VanDerWaalsContact SD-CE2 3.51Å; K493-F496 PolarHBondContact O-N 2.75Å
497D97.6Very high95.9Very high1 Ų147.4 Ų47.41%0.00524%0.244CC..  trans-13678-178.5178.917000111P164 K493 G499 W500 I501 L502P164-D497 HydrophobicContact CB-CB 4.38Å; P164-D497 HydrophobicContact CG-CB 3.91Å; K493-D497 HydrophobicContact CD-CB 4.18Å; K493-D497 WeakPolarHBondContact CE-OD2 3.43Å; K493-D497 IonicContact NZ-OD2 3.14Å; K493-D497 PolarHBondContact NZ-OD2 3.01Å; K493-D497 CarbonylContact O-C 3.55Å; K493-D497 WeakPolarHBondContact O-CA 3.44Å; K493-D497 PolarHBondContact O-N 3Å; D497-G499 PolarHBondContact O-N 2.89Å; D497-W500 PolarHBondContact O-N 3.1Å; D497-W500 VanDerWaalsContact O-N 3.11Å; D497-W500 PolarHBondContact OD1-N 3.38Å; D497-W500 VanDerWaalsContact OD2-C 3.24Å; D497-W500 VanDerWaalsContact OD2-CA 3.27Å; D497-W500 WeakPolarHBondContact OD2-CA 3.45Å; D497-I501 WeakPolarHBondContact OD1-CG1 3.18Å; D497-I501 PolarHBondContact OD1-N 3.34Å; D497-I501 PolarHBondContact OD2-N 3.21Å; D497-L502 PolarHBondContact OD2-N 2.94Å
498P96Very high95.6Very high75 Ų7540.6 Ų40.649%0.48722%0.219SC..THydrogen-bonded Turntrans-60.2-30.6-178.7-23.833.7000113.6R494 W500R494-P498 VanDerWaalsContact O-CA 3.3Å; R494-P498 WeakPolarHBondContact O-CA 3.38Å; R494-P498 WeakPolarHBondContact O-CG 3.13Å; P498-W500 VanDerWaalsContact C-N 3.34Å
499G96.2Very high94.9Very high51 Ų5137.9 Ų37.953%0.52621%0.207SC..THydrogen-bonded Turntrans-83-6.8179.500000114.3D497 I501D497-G499 PolarHBondContact O-N 2.89Å; G499-I501 PolarHBondContact O-N 2.85Å
500W96.5Very high94Very high42 Ų4241 Ų4116%0.15922%0.221CC..  trans54.234-174.7-72.970.3000113.2K493 D497 P498 L508 Q509 N510K493-W500 HydrophobicContact CB-CH2 4.09Å; K493-W500 HydrophobicContact CB-CZ2 4.17Å; K493-W500 HydrophobicContact CG-CD2 4.07Å; K493-W500 HydrophobicContact CG-CE3 3.94Å; K493-W500 HydrophobicContact CG-CH2 3.51Å; K493-W500 HydrophobicContact CG-CZ2 3.67Å; K493-W500 HydrophobicContact CG-CZ3 3.66Å; D497-W500 PolarHBondContact O-N 3.1Å; D497-W500 VanDerWaalsContact O-N 3.11Å; D497-W500 PolarHBondContact OD1-N 3.38Å; D497-W500 VanDerWaalsContact OD2-C 3.24Å; D497-W500 VanDerWaalsContact OD2-CA 3.27Å; D497-W500 WeakPolarHBondContact OD2-CA 3.45Å; P498-W500 VanDerWaalsContact C-N 3.34Å; W500-L508 HydrophobicContact CZ3-CB 4.49Å; W500-Q509 VanDerWaalsContact CH2-O 3.26Å; W500-Q509 WeakPolarHBondContact CH2-O 3.39Å; W500-Q509 VanDerWaalsContact CZ3-C 3.41Å; W500-N510 HydrophobicContact CD2-CB 4.22Å; W500-N510 HydrophobicContact CE3-CB 4.32Å; W500-N510 HydrophobicContact CH2-CB 3.93Å; W500-N510 VanDerWaalsContact CH2-N 3.27Å; W500-N510 HydrophobicContact CZ2-CB 3.8Å; W500-N510 HydrophobicContact CZ3-CB 4.18Å
501I97.5Very high92.9Very high6 Ų646.5 Ų46.53%0.03125%0.248CC..  trans-80-25.7-17764162.8000112.7C52 V53 P58 L59 P164 D497 G499C52-I501 HydrophobicContact CB-CD1 3.89Å; V53-I501 HydrophobicContact CG2-CD1 3.56Å; P58-I501 CarbonylContact C-O 3.5Å; P58-I501 WeakPolarHBondContact CA-O 3.45Å; L59-I501 HydrophobicContact CD1-CD1 4.48Å; L59-I501 PolarHBondContact N-O 3.31Å; P164-I501 HydrophobicContact CB-CD1 4.25Å; P164-I501 HydrophobicContact CB-CG1 4.31Å; P164-I501 HydrophobicContact CG-CD1 4.18Å; P164-I501 HydrophobicContact CG-CG1 4.02Å; D497-I501 WeakPolarHBondContact OD1-CG1 3.18Å; D497-I501 PolarHBondContact OD1-N 3.34Å; D497-I501 PolarHBondContact OD2-N 3.21Å; G499-I501 PolarHBondContact O-N 2.85Å
502L98Very high92.7Very high0 Ų046.6 Ų46.60%024%0.242CC..BIsolated β-bridgetrans-85.5122.5-176-59.8-174.2000112.2I49 L59 I61 P164 K493 D497I49-L502 HydrophobicContact CD1-CD2 3.71Å; L59-L502 HydrophobicContact CB-CD2 4.17Å; L59-L502 HydrophobicContact CD1-CD2 3.85Å; I61-L502 HydrophobicContact CD1-CD1 4.48Å; I61-L502 HydrophobicContact CD1-CD2 4.31Å; P164-L502 HydrophobicContact CG-CD1 3.67Å; P164-L502 HydrophobicContact CG-CD2 4.18Å; P164-L502 HydrophobicContact CG-CG 3.65Å; K493-L502 PolarHBondContact NZ-O 2.92Å; D497-L502 PolarHBondContact OD2-N 2.94Å
503N97.9Very high92.6Very high6 Ų645.3 Ų45.33%0.03224%0.237CC..SBendtrans44.255.1176.4-78.4-23.2000112.6L59 C60 I61 E194 Q196 K506L59-N503 WeakPolarHBondContact O-CA 3.46Å; L59-N503 PolarHBondContact O-N 3.09Å; C60-N503 VanDerWaalsContact CA-OD1 3.25Å; C60-N503 WeakPolarHBondContact CA-OD1 3.39Å; I61-N503 PolarHBondContact N-OD1 3.28Å; E194-N503 PolarHBondContact O-ND2 2.84Å; Q196-N503 PolarHBondContact NE2-O 3.17Å; N503-K506 PolarHBondContact O-N 3.11Å
504P96.5Very high92.3Very high18 Ų1847.8 Ų47.812%0.11725%0.25CC..THydrogen-bonded Turntrans-61.1161.8178.830.7-37.7000111.1P58 E78 K506P58-P504 HydrophobicContact CB-CG 3.74Å; E78-P504 HydrophobicContact CG-CG 3.7Å; P504-K506 PolarHBondContact O-N 2.8Å
505H95.1Very high92.1Very high98 Ų9844.5 Ų44.545%0.45424%0.241SC..THydrogen-bonded Turntrans61.49.3-176.4-43.9-68.6000114.4V75 N76 E78 L474V75-H505 HydrophobicContact CB-CB 4.14Å; V75-H505 HydrophobicContact CG1-CB 4.27Å; V75-H505 HydrophobicContact CG2-CB 3.67Å; N76-H505 PolarHBondContact ND2-CD2 2.84Å; N76-H505 PolarHBondContact ND2-NE2 2.92Å; E78-H505 IonicContact OE1-CD2 2.63Å; L474-H505 WeakPolarHBondContact CD2-O 3.5Å
506K94.1Very high91.8Very high2 Ų240.6 Ų40.61%0.00923%0.226CC..SBendtrans-135.6150.1-176.3-69.3-178.5-134.3151.40112.8C60 G71 V73 V75 Q196 Q471 N503 P504 L508C60-K506 PolarHBondContact SG-NZ 3.16Å; C60-K506 VanDerWaalsContact SG-NZ 3.42Å; G71-K506 WeakPolarHBondContact O-CD 3.42Å; G71-K506 PolarHBondContact O-NZ 3.24Å; V73-K506 WeakPolarHBondContact O-CE 3.29Å; V73-K506 PolarHBondContact O-NZ 3.4Å; V75-K506 HydrophobicContact CG2-CG 4.35Å; Q196-K506 PolarHBondContact NE2-O 2.78Å; Q196-K506 PolarHBondContact OE1-O 3.11Å; Q471-K506 HydrophobicContact CB-CG 4.47Å; Q471-K506 HydrophobicContact CG-CD 3.55Å; Q471-K506 HydrophobicContact CG-CG 3.45Å; Q471-K506 VanDerWaalsContact CG-CG 3.45Å; N503-K506 PolarHBondContact O-N 3.11Å; P504-K506 PolarHBondContact O-N 2.8Å; K506-L508 PolarHBondContact O-N 2.7Å
507T87.4Confident91.4Very high13 Ų1342.5 Ų42.58%0.0824%0.237CC..SBendtrans35.6-45.9-162.4-470000117.1E194 I469 G470 L474E194-T507 WeakPolarHBondContact OE1-CG2 3.37Å; E194-T507 PolarHBondContact OE1-OG1 3.42Å; E194-T507 PolarHBondContact OE2-OG1 2.75Å; I469-T507 HydrophobicContact CB-CG2 3.68Å; I469-T507 HydrophobicContact CG1-CG2 3.95Å; I469-T507 HydrophobicContact CG2-CG2 4.16Å; G470-T507 PolarHBondContact N-OG1 2.82Å; G470-T507 PolarHBondContact O-N 2.72Å; L474-T507 VanDerWaalsContact CD1-C 3.49Å; L474-T507 WeakPolarHBondContact CD1-O 3.42Å
508L89.3Confident91Very high21 Ų2145.4 Ų45.411%0.1125%0.253CS..  trans-114.9150.2178.5-57.3-180000110.6Q196 W477 C489 K493 W500 K506Q196-L508 HydrophobicContact CB-CD1 4.27Å; Q196-L508 HydrophobicContact CG-CD1 4.42Å; Q196-L508 HydrophobicContact CG-CG 4.33Å; W477-L508 HydrophobicContact CH2-CD2 3.51Å; W477-L508 HydrophobicContact CZ2-CD2 4.33Å; W477-L508 HydrophobicContact CZ3-CD2 3.88Å; C489-L508 HydrophobicContact CB-CD1 4.26Å; C489-L508 HydrophobicContact CB-CD2 3.67Å; K493-L508 HydrophobicContact CB-CD1 3.91Å; K493-L508 HydrophobicContact CG-CD1 4.48Å; W500-L508 HydrophobicContact CZ3-CB 4.49Å; K506-L508 PolarHBondContact O-N 2.7Å
509Q80.6Confident90.6Very high83 Ų8343.2 Ų43.239%0.38824%0.235SC..  trans-125.3156.7170.8-66.7-169-10.700110.3L474 W500 I511L474-Q509 HydrophobicContact CD1-CG 4.31Å; L474-Q509 HydrophobicContact CD2-CG 3.94Å; L474-Q509 HydrophobicContact CG-CG 4.41Å; W500-Q509 VanDerWaalsContact CH2-O 3.26Å; W500-Q509 WeakPolarHBondContact CH2-O 3.39Å; W500-Q509 VanDerWaalsContact CZ3-C 3.41Å; Q509-I511 PolarHBondContact O-N 2.8Å
510N76.4Confident90.1Very high101 Ų10142.5 Ų42.554%0.5421%0.211SC..  trans-75.5108.8173.7-165.44.2000108R494 W500R494-N510 PolarHBondContact NH2-OD1 2.62Å; W500-N510 HydrophobicContact CD2-CB 4.22Å; W500-N510 HydrophobicContact CE3-CB 4.32Å; W500-N510 HydrophobicContact CH2-CB 3.93Å; W500-N510 VanDerWaalsContact CH2-N 3.27Å; W500-N510 HydrophobicContact CZ2-CB 3.8Å; W500-N510 HydrophobicContact CZ3-CB 4.18Å
511I72.3Confident89.5Confident120 Ų12042.5 Ų42.562%0.61522%0.216SC*.  trans-98.10-175.6-54.8174.1000110.6L486 Q509L486-I511 HydrophobicContact CB-CD1 3.45Å; L486-I511 VanDerWaalsContact CB-CD1 3.45Å; L486-I511 HydrophobicContact CD1-CD1 4.29Å; L486-I511 HydrophobicContact CG-CD1 4.36Å; Q509-I511 PolarHBondContact O-N 2.8Å

Retrieved 511 of 511 residues in 273.3 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).