A0A093JT73_STRCA Loading...

BTB/POZ domain-containing protein KCTD6

AlphaFold DB , UniProt , Accession A0A093JT73, Species STRCA (Struthio camelus australis), Gene n/a, Length 237 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
1M41.2Very low45.7Very low234 Ų234144.5 Ų144.5100%1.15375%0.746SS**  093.90-73.1171.3174.300105.5
2D39.6Very low48.4Very low170 Ų170143.3 Ų143.391%0.90974%0.743SS**  trans-108.2109.3169.6-155.78.7000105.4
3N39.6Very low51.6Low150 Ų150140 Ų14080%0.80274%0.735SS**  trans-77.8127.5-170.1-78.7-33.8000108.5D5N3-D5 PolarHBondContact O-N 3.02Å
4G47.4Very low54.6Low61 Ų61131.6 Ų131.663%0.62969%0.692SS**  trans-55.8130.5-170.400000114.4W6G4-W6 VanDerWaalsContact C-N 3.33Å; G4-W6 PolarHBondContact O-N 2.88Å
5D44.4Very low57.4Low154 Ų154125.3 Ų125.382%0.82466%0.661SS**  trans-85.880.1162.5-166.217.3000108.9N3 G7N3-D5 PolarHBondContact O-N 3.02Å; D5-G7 PolarHBondContact OD1-N 3.09Å
6W47.2Very low59.9Low253 Ų253117.4 Ų117.496%0.95862%0.62SS**  trans-94.836.8166.6-70.187.3000110.1G4G4-W6 VanDerWaalsContact C-N 3.33Å; G4-W6 PolarHBondContact O-N 2.88Å
7G37.3Very low62.1Low50 Ų50111.8 Ų111.852%0.51559%0.59SS.*  trans-94109.4-174.100000113.9D5D5-G7 PolarHBondContact OD1-N 3.09Å
8Y47.8Very low64.1Low176 Ų176105.6 Ų105.669%0.6956%0.557SS**  trans77.555.8148-101-95.1000120M10Y8-M10 HydrophobicContact CD1-CB 3.83Å; Y8-M10 HydrophobicContact CD1-CG 4.49Å; Y8-M10 HydrophobicContact CD2-CE 3.95Å; Y8-M10 HydrophobicContact CE1-CB 3.82Å; Y8-M10 HydrophobicContact CE1-CE 4.24Å; Y8-M10 HydrophobicContact CE1-CG 4.37Å; Y8-M10 HydrophobicContact CE1-SD 4.02Å; Y8-M10 HydrophobicContact CE2-CE 3.49Å; Y8-M10 VanDerWaalsContact CE2-CE 3.49Å; Y8-M10 HydrophobicContact CE2-SD 4.3Å; Y8-M10 PolarHBondContact O-N 2.95Å
9M46.6Very low65.8Low174 Ų174101.8 Ų101.886%0.85755%0.547SS*.  trans-87.939.5142.9-76.6-88.1163.300110.7T11M9-T11 PolarHBondContact O-N 2.98Å
10M48.3Very low67.3Low125 Ų12599.5 Ų99.562%0.61655%0.548SS*.  trans-76.784160.6-77.3-176.5-122.400106.4Y8 D12Y8-M10 HydrophobicContact CD1-CB 3.83Å; Y8-M10 HydrophobicContact CD1-CG 4.49Å; Y8-M10 HydrophobicContact CD2-CE 3.95Å; Y8-M10 HydrophobicContact CE1-CB 3.82Å; Y8-M10 HydrophobicContact CE1-CE 4.24Å; Y8-M10 HydrophobicContact CE1-CG 4.37Å; Y8-M10 HydrophobicContact CE1-SD 4.02Å; Y8-M10 HydrophobicContact CE2-CE 3.49Å; Y8-M10 VanDerWaalsContact CE2-CE 3.49Å; Y8-M10 HydrophobicContact CE2-SD 4.3Å; Y8-M10 PolarHBondContact O-N 2.95Å; M10-D12 PolarHBondContact O-N 3.08Å; M10-D12 VanDerWaalsContact O-N 3.1Å
11T63.6Low68.8Low42 Ų4298.8 Ų98.826%0.25854%0.541SS..  trans-57.1115.5170.6330000109.1M9 S26 L27 T28M9-T11 PolarHBondContact O-N 2.98Å; T11-S26 WeakPolarHBondContact OG1-CB 3.23Å; T11-L27 HydrophobicContact CG2-CB 4.21Å; T11-T28 HydrophobicContact CG2-CG2 3.36Å; T11-T28 PolarHBondContact OG1-OG1 3.04Å; T11-T28 VanDerWaalsContact OG1-OG1 3.1Å
12D78Confident71.5Confident131 Ų13191.9 Ų91.970%0.70151%0.507SS*.  trans-47.9139.5177.7-72.1-46.1000110.8M10 V14M10-D12 PolarHBondContact O-N 3.08Å; M10-D12 VanDerWaalsContact O-N 3.1Å; D12-V14 PolarHBondContact O-N 3.14Å
13P90.3Very high74.2Confident100 Ų10085.7 Ų85.765%0.64947%0.471SS*.EExtended strand (participates in β ladder)trans-61.6129178.124.7-32000109.9T24 T25P13-T24 HydrophobicContact CB-CG2 3.76Å; P13-T25 CarbonylContact C-O 3.59Å; P13-T25 WeakPolarHBondContact CA-O 3.23Å
14V93.3Very high77Confident22 Ų2282.4 Ų82.413%0.13346%0.456CS..EExtended strand (participates in β ladder)trans-106.2128.4173.8178.20000108D12 T24 T25 L27 L30 F42 Y56D12-V14 PolarHBondContact O-N 3.14Å; V14-T24 WeakPolarHBondContact O-CA 3.49Å; V14-T25 PolarHBondContact N-O 3.33Å; V14-T25 PolarHBondContact O-N 3.13Å; V14-L27 HydrophobicContact CG2-CB 4.39Å; V14-L30 HydrophobicContact CB-CD1 4.13Å; V14-L30 HydrophobicContact CG1-CD1 3.8Å; V14-F42 HydrophobicContact CG1-CE1 3.5Å; V14-F42 VanDerWaalsContact CG1-CE1 3.5Å; V14-F42 HydrophobicContact CG1-CZ 3.77Å; V14-Y56 HydrophobicContact CG1-CD2 3.76Å; V14-Y56 HydrophobicContact CG1-CE2 3.9Å
15T96.2Very high79.3Confident37 Ų3780.1 Ų80.123%0.22743%0.43CS..EExtended strand (participates in β ladder)trans-104.8131.4176.2-58.90000111M22 Y23 T24 N55 Y56T15-M22 HydrophobicContact CG2-CE 3.29Å; T15-Y23 CarbonylContact C-O 3.57Å; T15-Y23 WeakPolarHBondContact CA-O 3.33Å; T15-T24 PolarHBondContact OG1-OG1 2.99Å; T15-N55 WeakPolarHBondContact CB-OD1 3.36Å; T15-N55 HydrophobicContact CG2-CB 4.18Å; T15-N55 VanDerWaalsContact CG2-OD1 3.25Å; T15-N55 WeakPolarHBondContact CG2-OD1 3.23Å; T15-Y56 PolarHBondContact O-N 2.95Å; T15-Y56 VanDerWaalsContact O-N 3.17Å
16L97.1Very high81.5Confident0 Ų073.9 Ų73.90%040%0.398CS..EExtended strand (participates in β ladder)trans-115138.7177.7-65.5152.3000109V18 M22 Y23 T25 L30 F42 Y56 I58 F65L16-V18 HydrophobicContact CB-CG2 4.17Å; L16-M22 CarbonylContact O-C 3.6Å; L16-M22 WeakPolarHBondContact O-CA 3.16Å; L16-Y23 PolarHBondContact N-O 2.91Å; L16-Y23 PolarHBondContact O-N 3.15Å; L16-T25 HydrophobicContact CD1-CG2 4.47Å; L16-L30 HydrophobicContact CD1-CD1 3.91Å; L16-L30 HydrophobicContact CD1-CD2 3.66Å; L16-L30 HydrophobicContact CD1-CG 4.42Å; L16-L30 HydrophobicContact CG-CD1 4.46Å; L16-F42 HydrophobicContact CD2-CE2 4.06Å; L16-F42 HydrophobicContact CD2-CZ 3.88Å; L16-Y56 CarbonylContact C-O 3.58Å; L16-Y56 WeakPolarHBondContact CA-O 3.13Å; L16-I58 HydrophobicContact CD2-CD1 3.87Å; L16-F65 HydrophobicContact CD1-CE1 3.97Å; L16-F65 HydrophobicContact CD1-CZ 3.95Å
17N97.7Very high83.6Confident21 Ų2165.1 Ų65.111%0.11237%0.37CS..EExtended strand (participates in β ladder)trans-108.7105.1167-179.1-17000107.8G20 M22 D51 N55 Y56 F57 I58N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 3.28Å; N17-M22 HydrophobicContact CB-CE 4.14Å; N17-M22 HydrophobicContact CB-SD 3.63Å; N17-D51 WeakPolarHBondContact CB-OD2 3.08Å; N17-D51 PolarHBondContact ND2-OD2 3.42Å; N17-N55 HydrophobicContact CB-CB 4.38Å; N17-Y56 PolarHBondContact N-O 3.28Å; N17-F57 HydrophobicContact CB-CD2 4.1Å; N17-F57 CarbonylContact O-C 3.51Å; N17-F57 WeakPolarHBondContact O-CA 3.36Å; N17-F57 WeakPolarHBondContact O-CD2 3.36Å; N17-I58 PolarHBondContact O-N 2.74Å
18V98Very high86.2Confident0 Ų066 Ų660%037%0.365CS..EExtended strand (participates in β ladder)trans-106.9100.9-178-171.30000109L16 G20 H21 Y23 I58 R60 G62 F65L16-V18 HydrophobicContact CB-CG2 4.17Å; V18-G20 PolarHBondContact O-N 2.93Å; V18-H21 PolarHBondContact N-O 2.83Å; V18-H21 WeakPolarHBondContact O-CB 3.48Å; V18-H21 PolarHBondContact O-N 3.24Å; V18-Y23 HydrophobicContact CB-CD2 4.4Å; V18-Y23 HydrophobicContact CG2-CD2 4.16Å; V18-I58 CarbonylContact C-O 3.44Å; V18-I58 VanDerWaalsContact CA-O 3.3Å; V18-I58 WeakPolarHBondContact CA-O 3.43Å; V18-I58 HydrophobicContact CG1-CB 4.41Å; V18-I58 HydrophobicContact CG2-CB 4.36Å; V18-I58 HydrophobicContact CG2-CD1 4.36Å; V18-R60 CarbonylContact C-O 3.51Å; V18-R60 HydrophobicContact CG1-CB 3.98Å; V18-G62 VanDerWaalsContact O-CA 3.24Å; V18-G62 WeakPolarHBondContact O-CA 3.49Å; V18-F65 HydrophobicContact CB-CB 4.41Å; V18-F65 HydrophobicContact CB-CD1 4.48Å; V18-F65 HydrophobicContact CB-CG 4.36Å; V18-F65 HydrophobicContact CG1-CB 3.98Å; V18-F65 HydrophobicContact CG1-CD2 4.39Å; V18-F65 HydrophobicContact CG1-CG 4.12Å; V18-F65 HydrophobicContact CG2-CD1 3.77Å; V18-F65 HydrophobicContact CG2-CD2 4.33Å; V18-F65 HydrophobicContact CG2-CE1 3.98Å; V18-F65 HydrophobicContact CG2-CG 3.94Å; V18-F65 HydrophobicContact CG2-CZ 4.35Å
19G96.6Very high88.3Confident35 Ų3558.2 Ų58.236%0.36134%0.336SS..THydrogen-bonded Turntrans54.236.2-177.300000113.6H21 I58 R60G19-H21 PolarHBondContact O-ND1 3.27Å; G19-I58 PolarHBondContact N-O 2.84Å; G19-R60 VanDerWaalsContact CA-O 3.23Å; G19-R60 WeakPolarHBondContact CA-O 3.23Å; G19-R60 PolarHBondContact N-O 2.93Å
20G95.9Very high90.6Very high55 Ų5549.9 Ų49.957%0.56730%0.295SS*.THydrogen-bonded Turntrans91-5.5-176.100000115.2N17 V18N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 3.28Å; V18-G20 PolarHBondContact O-N 2.93Å
21H98.1Very high92.6Very high85 Ų8545.9 Ų45.939%0.39428%0.278SS..EExtended strand (participates in β ladder)trans-96.3122.7178.7-64.766.6000111V18 G19 Y23V18-H21 PolarHBondContact N-O 2.83Å; V18-H21 WeakPolarHBondContact O-CB 3.48Å; V18-H21 PolarHBondContact O-N 3.24Å; G19-H21 PolarHBondContact O-ND1 3.27Å; H21-Y23 HydrophobicContact CB-CD2 4.38Å; H21-Y23 HydrophobicContact CB-CE2 3.79Å
22M97.9Very high94Very high89 Ų8949.5 Ų49.544%0.43829%0.287SS..EExtended strand (participates in β ladder)trans-84.7124.7-178.2-59.6-51.6-61.500111.3T15 L16 N17 N55T15-M22 HydrophobicContact CG2-CE 3.29Å; L16-M22 CarbonylContact O-C 3.6Å; L16-M22 WeakPolarHBondContact O-CA 3.16Å; N17-M22 HydrophobicContact CB-CE 4.14Å; N17-M22 HydrophobicContact CB-SD 3.63Å; M22-N55 HydrophobicContact CE-CB 3.92Å; M22-N55 VanDerWaalsContact CE-CG 3.48Å; M22-N55 WeakPolarHBondContact CE-ND2 3.48Å
23Y97.9Very high94.7Very high39 Ų3945.3 Ų45.315%0.15326%0.262CS..EExtended strand (participates in β ladder)trans-123.9133.9173.6-71.5-84.2000110.1T15 L16 V18 H21 G62 F65 R66 L69T15-Y23 CarbonylContact C-O 3.57Å; T15-Y23 WeakPolarHBondContact CA-O 3.33Å; L16-Y23 PolarHBondContact N-O 2.91Å; L16-Y23 PolarHBondContact O-N 3.15Å; V18-Y23 HydrophobicContact CB-CD2 4.4Å; V18-Y23 HydrophobicContact CG2-CD2 4.16Å; H21-Y23 HydrophobicContact CB-CD2 4.38Å; H21-Y23 HydrophobicContact CB-CE2 3.79Å; Y23-G62 VanDerWaalsContact CE2-O 3.28Å; Y23-G62 WeakPolarHBondContact CE2-O 3.23Å; Y23-G62 VanDerWaalsContact CZ-O 3.29Å; Y23-G62 PolarHBondContact OH-O 2.68Å; Y23-F65 HydrophobicContact CD1-CD1 4.28Å; Y23-F65 AromaticContact CD2-CD1 3.56Å; Y23-F65 HydrophobicContact CD2-CD1 3.56Å; Y23-F65 HydrophobicContact CD2-CE1 4.18Å; Y23-F65 HydrophobicContact CE1-CD1 4.45Å; Y23-F65 HydrophobicContact CE2-CB 4.11Å; Y23-F65 AromaticContact CE2-CD1 3.74Å; Y23-F65 HydrophobicContact CE2-CD1 3.74Å; Y23-F65 HydrophobicContact CE2-CG 4.38Å; Y23-F65 AromaticContact CG-CD1 3.83Å; Y23-F65 HydrophobicContact CG-CD1 3.83Å; Y23-F65 HydrophobicContact CG-CE1 4.14Å; Y23-R66 HydrophobicContact CE1-CB 4.18Å; Y23-R66 PolarHBondContact OH-N 2.86Å; Y23-L69 HydrophobicContact CD1-CD2 3.59Å; Y23-L69 HydrophobicContact CE1-CD2 4.38Å; Y23-L69 HydrophobicContact CG-CD2 4.14Å
24T96.5Very high94.7Very high81 Ų8143.4 Ų43.450%0.49725%0.249SC..EExtended strand (participates in β ladder)trans-115.4131.3171.4-55.10000109.2P13 V14 T15 R73P13-T24 HydrophobicContact CB-CG2 3.76Å; V14-T24 WeakPolarHBondContact O-CA 3.49Å; T15-T24 PolarHBondContact OG1-OG1 2.99Å; T24-R73 PolarHBondContact O-NH2 2.72Å
25T95.5Very high94.6Very high14 Ų1449.5 Ų49.59%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-151.7-172.8177.3-1610000110.2P13 V14 L16 T29 L30 L69P13-T25 CarbonylContact C-O 3.59Å; P13-T25 WeakPolarHBondContact CA-O 3.23Å; V14-T25 PolarHBondContact N-O 3.33Å; V14-T25 PolarHBondContact O-N 3.13Å; L16-T25 HydrophobicContact CD1-CG2 4.47Å; T25-T29 HydrophobicContact CG2-CG2 4.47Å; T25-T29 WeakPolarHBondContact OG1-CB 3.24Å; T25-T29 WeakPolarHBondContact OG1-CG2 3.43Å; T25-T29 PolarHBondContact OG1-OG1 2.83Å; T25-L30 HydrophobicContact CG2-CD1 3.79Å; T25-L30 HydrophobicContact CG2-CD2 3.68Å; T25-L30 HydrophobicContact CG2-CG 3.55Å; T25-L69 HydrophobicContact CG2-CD1 3.85Å
26S92.4Very high94.5Very high22 Ų2247.9 Ų47.915%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-97.2157.5173.561.50000114.4T11 T28 T29 L30T11-S26 WeakPolarHBondContact OG1-CB 3.23Å; S26-T28 VanDerWaalsContact CB-OG1 3.28Å; S26-T28 WeakPolarHBondContact CB-OG1 3.4Å; S26-T28 PolarHBondContact O-N 3.3Å; S26-T28 PolarHBondContact OG-OG1 2.84Å; S26-T29 WeakPolarHBondContact O-CB 3.31Å; S26-T29 PolarHBondContact O-N 3.14Å; S26-T29 PolarHBondContact OG-N 2.89Å; S26-T29 PolarHBondContact OG-OG1 3.04Å; S26-L30 PolarHBondContact O-N 3.24Å
27L91.2Very high94.4Very high69 Ų6950.6 Ų50.636%0.36129%0.285SS..Hα-helixtrans-55.3-40.1168.6-172.265.6000112.1T11 V14 T29 L30 T31 F42T11-L27 HydrophobicContact CG2-CB 4.21Å; V14-L27 HydrophobicContact CG2-CB 4.39Å; L27-T29 PolarHBondContact O-N 2.85Å; L27-L30 PolarHBondContact O-N 3.46Å; L27-T31 HydrophobicContact CD1-CG2 4Å; L27-T31 HydrophobicContact CG-CG2 4.22Å; L27-T31 WeakPolarHBondContact O-CB 3.37Å; L27-T31 WeakPolarHBondContact O-CG2 3.49Å; L27-T31 PolarHBondContact O-N 3.37Å; L27-T31 PolarHBondContact O-OG1 2.67Å; L27-F42 HydrophobicContact CD1-CB 3.7Å; L27-F42 HydrophobicContact CD1-CD1 3.66Å; L27-F42 HydrophobicContact CD1-CG 3.98Å
28T91.1Very high94.1Very high68 Ų6849.6 Ų49.642%0.41728%0.279SS..Hα-helixtrans-57.9-34.7175.538.50000112.8T11 S26 R32T11-T28 HydrophobicContact CG2-CG2 3.36Å; T11-T28 PolarHBondContact OG1-OG1 3.04Å; T11-T28 VanDerWaalsContact OG1-OG1 3.1Å; S26-T28 VanDerWaalsContact CB-OG1 3.28Å; S26-T28 WeakPolarHBondContact CB-OG1 3.4Å; S26-T28 PolarHBondContact O-N 3.3Å; S26-T28 PolarHBondContact OG-OG1 2.84Å; T28-R32 PolarHBondContact O-N 3.02Å
29T92.8Very high93.8Very high13 Ų1349.6 Ų49.68%0.0828%0.279CS..Hα-helixtrans-71-48.9176-58.30000110.5T25 S26 L27 T31 R32 L69 L72 R73T25-T29 HydrophobicContact CG2-CG2 4.47Å; T25-T29 WeakPolarHBondContact OG1-CB 3.24Å; T25-T29 WeakPolarHBondContact OG1-CG2 3.43Å; T25-T29 PolarHBondContact OG1-OG1 2.83Å; S26-T29 WeakPolarHBondContact O-CB 3.31Å; S26-T29 PolarHBondContact O-N 3.14Å; S26-T29 PolarHBondContact OG-N 2.89Å; S26-T29 PolarHBondContact OG-OG1 3.04Å; L27-T29 PolarHBondContact O-N 2.85Å; T29-T31 VanDerWaalsContact C-N 3.25Å; T29-T31 PolarHBondContact O-N 2.94Å; T29-R32 WeakPolarHBondContact O-CB 3.31Å; T29-R32 PolarHBondContact O-N 3.22Å; T29-L69 HydrophobicContact CG2-CD1 3.97Å; T29-L72 HydrophobicContact CG2-CB 3.67Å; T29-R73 HydrophobicContact CG2-CG 3.64Å
30L93.2Very high93.4Very high0 Ų048.4 Ų48.40%027%0.266CS..Hα-helixtrans-68.6-26-175.6-61.8172.6000113.1V14 L16 T25 S26 L27 G39 F42 L69 L72V14-L30 HydrophobicContact CB-CD1 4.13Å; V14-L30 HydrophobicContact CG1-CD1 3.8Å; L16-L30 HydrophobicContact CD1-CD1 3.91Å; L16-L30 HydrophobicContact CD1-CD2 3.66Å; L16-L30 HydrophobicContact CD1-CG 4.42Å; L16-L30 HydrophobicContact CG-CD1 4.46Å; T25-L30 HydrophobicContact CG2-CD1 3.79Å; T25-L30 HydrophobicContact CG2-CD2 3.68Å; T25-L30 HydrophobicContact CG2-CG 3.55Å; S26-L30 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 3.46Å; L30-G39 PolarHBondContact O-N 3.39Å; L30-F42 HydrophobicContact CB-CD2 4.01Å; L30-F42 HydrophobicContact CB-CE2 4.36Å; L30-F42 HydrophobicContact CB-CG 4.38Å; L30-F42 HydrophobicContact CD1-CD1 4.4Å; L30-F42 HydrophobicContact CD1-CD2 4.03Å; L30-F42 HydrophobicContact CD1-CE1 3.99Å; L30-F42 HydrophobicContact CD1-CE2 3.61Å; L30-F42 HydrophobicContact CD1-CG 4.42Å; L30-F42 HydrophobicContact CD1-CZ 3.58Å; L30-F42 HydrophobicContact CG-CE2 4.45Å; L30-L69 HydrophobicContact CD2-CD1 4.43Å; L30-L72 HydrophobicContact CD2-CD1 4.33Å
31T92.1Very high93.1Very high41 Ų4146.3 Ų46.325%0.25224%0.241SC..THydrogen-bonded Turntrans-99.36.5178.757.70000113.6L27 T29 Y33 F42L27-T31 HydrophobicContact CD1-CG2 4Å; L27-T31 HydrophobicContact CG-CG2 4.22Å; L27-T31 WeakPolarHBondContact O-CB 3.37Å; L27-T31 WeakPolarHBondContact O-CG2 3.49Å; L27-T31 PolarHBondContact O-N 3.37Å; L27-T31 PolarHBondContact O-OG1 2.67Å; T29-T31 VanDerWaalsContact C-N 3.25Å; T29-T31 PolarHBondContact O-N 2.94Å; T31-Y33 PolarHBondContact O-N 3.21Å; T31-Y33 VanDerWaalsContact O-N 3.16Å; T31-F42 HydrophobicContact CG2-CB 3.89Å
32R92Very high92.5Very high117 Ų11743.5 Ų43.544%0.44223%0.228SC..SBendtrans-54.7-37-179.6177.1170.8-65.1-114.6-3.3113T28 T29 P34 L72 R73 S75T28-R32 PolarHBondContact O-N 3.02Å; T29-R32 WeakPolarHBondContact O-CB 3.31Å; T29-R32 PolarHBondContact O-N 3.22Å; R32-P34 WeakPolarHBondContact O-CD 3.27Å; R32-L72 WeakPolarHBondContact CD-O 3.46Å; R32-L72 PolarHBondContact NE-O 3.03Å; R32-R73 PolarHBondContact NH2-O 3.36Å; R32-S75 WeakPolarHBondContact CD-OG 3.47Å; R32-S75 PolarHBondContact NH1-OG 2.95Å; R32-S75 VanDerWaalsContact NH1-OG 3.17Å
33Y92.8Very high91.8Very high44 Ų4445.3 Ų45.317%0.17323%0.23CC..SBendtrans-11293.1172.2-60.7-75.4000108.1T31 D35 S36 F71 L72 S75 I98 P100T31-Y33 PolarHBondContact O-N 3.21Å; T31-Y33 VanDerWaalsContact O-N 3.16Å; Y33-D35 PolarHBondContact O-N 2.9Å; Y33-S36 VanDerWaalsContact O-CB 3.31Å; Y33-S36 WeakPolarHBondContact O-CB 3.32Å; Y33-S36 PolarHBondContact O-N 3.31Å; Y33-S36 PolarHBondContact O-OG 3.33Å; Y33-F71 AromaticContact CE2-CD1 3.9Å; Y33-F71 HydrophobicContact CE2-CD1 3.9Å; Y33-F71 AromaticContact CE2-CE1 3.61Å; Y33-F71 HydrophobicContact CE2-CE1 3.61Å; Y33-F71 AromaticContact CZ-CE1 3.65Å; Y33-F71 VanDerWaalsContact OH-CE1 3.28Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.33Å; Y33-L72 HydrophobicContact CD2-CD2 3.49Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.49Å; Y33-L72 HydrophobicContact CE2-CD2 3.92Å; Y33-S75 WeakPolarHBondContact OH-CB 3.46Å; Y33-S75 PolarHBondContact OH-OG 3.06Å; Y33-I98 HydrophobicContact CD2-CG2 3.93Å; Y33-I98 HydrophobicContact CE2-CG2 4.19Å; Y33-I98 HydrophobicContact CG-CG2 4.38Å; Y33-P100 HydrophobicContact CD1-CG 4.08Å; Y33-P100 HydrophobicContact CE1-CB 4.32Å; Y33-P100 HydrophobicContact CE1-CG 3.73Å
34P90.6Very high90.9Very high59 Ų5946.3 Ų46.338%0.38325%0.252SS..THydrogen-bonded Turntrans-62.2-27.2-173.8-2333.8000113.3R32 S36 R43R32-P34 WeakPolarHBondContact O-CD 3.27Å; P34-S36 VanDerWaalsContact C-N 3.26Å; P34-S36 PolarHBondContact O-N 3.04Å; P34-R43 PolarHBondContact O-NH1 2.73Å; P34-R43 PolarHBondContact O-NH2 3.4Å
35D91Very high89.9Confident150 Ų15046.7 Ų46.780%0.80225%0.251SS*.THydrogen-bonded Turntrans-82.8-4.3-179.6-55.1-33.7000113Y33Y33-D35 PolarHBondContact O-N 2.9Å
36S94.6Very high88.7Confident3 Ų351.7 Ų51.72%0.02127%0.272CS..SBendtrans-77.5163.1174.173.20000112.1Y33 P34 L38 G39 A40 Y96 Q97Y33-S36 VanDerWaalsContact O-CB 3.31Å; Y33-S36 WeakPolarHBondContact O-CB 3.32Å; Y33-S36 PolarHBondContact O-N 3.31Å; Y33-S36 PolarHBondContact O-OG 3.33Å; P34-S36 VanDerWaalsContact C-N 3.26Å; P34-S36 PolarHBondContact O-N 3.04Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3Å; S36-G39 PolarHBondContact O-N 3.02Å; S36-G39 VanDerWaalsContact O-N 3.13Å; S36-G39 PolarHBondContact OG-N 3.14Å; S36-G39 VanDerWaalsContact OG-N 3.08Å; S36-A40 PolarHBondContact O-N 3.14Å; S36-Y96 WeakPolarHBondContact CB-O 3.38Å; S36-Q97 WeakPolarHBondContact CA-O 3.5Å; S36-Q97 WeakPolarHBondContact CB-O 3.46Å
37M93.5Very high87.8Confident58 Ų5857 Ų5729%0.28631%0.306SS..Hα-helixtrans-57.4-42174.9178.1-87173.600111.4A40 M41 Y96 Q97M37-A40 PolarHBondContact O-N 2.95Å; M37-M41 HydrophobicContact CE-SD 4.06Å; M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.26Å; M37-M41 PolarHBondContact O-N 2.88Å; M37-Y96 WeakPolarHBondContact CB-O 3.32Å; M37-Y96 PolarHBondContact N-O 3.32Å; M37-Y96 HydrophobicContact SD-CD1 4.42Å; M37-Q97 HydrophobicContact CB-CB 4.41Å; M37-Q97 HydrophobicContact CB-CG 4.39Å
38L92.4Very high87.4Confident0 Ų055.8 Ų55.80%030%0.302CS..Hα-helixtrans-67.1-39.4177.1-65.5172.1000111.5S36 A40 M41 F42 I58 F65 L72 Y96S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3Å; L38-A40 PolarHBondContact O-N 2.88Å; L38-M41 HydrophobicContact CD2-SD 4.39Å; L38-M41 PolarHBondContact O-N 2.82Å; L38-F42 WeakPolarHBondContact O-CD2 3.35Å; L38-F42 PolarHBondContact O-N 2.97Å; L38-F42 VanDerWaalsContact O-N 3.1Å; L38-I58 HydrophobicContact CD2-CD1 3.8Å; L38-F65 HydrophobicContact CD1-CE2 4.1Å; L38-F65 HydrophobicContact CD1-CZ 4.38Å; L38-L72 HydrophobicContact CD1-CD1 3.71Å; L38-Y96 HydrophobicContact CD1-CD1 3.98Å; L38-Y96 HydrophobicContact CD1-CG 4.32Å; L38-Y96 HydrophobicContact CD2-CD1 4.01Å; L38-Y96 HydrophobicContact CD2-CE1 4.27Å; L38-Y96 HydrophobicContact CG-CD1 3.87Å
39G90.8Very high87.4Confident0 Ų055.2 Ų55.20%030%0.303CS..Hα-helixtrans-56.7-50.1173.400000111.6L30 S36 F42 R43L30-G39 PolarHBondContact O-N 3.39Å; S36-G39 PolarHBondContact O-N 3.02Å; S36-G39 VanDerWaalsContact O-N 3.13Å; S36-G39 PolarHBondContact OG-N 3.14Å; S36-G39 VanDerWaalsContact OG-N 3.08Å; G39-F42 PolarHBondContact O-N 3.42Å; G39-R43 WeakPolarHBondContact O-CG 3.48Å; G39-R43 PolarHBondContact O-N 2.78Å
40A89Confident87.4Confident10 Ų1061 Ų618%0.08332%0.324CS..Hα-helixtrans-67.7-40.1179.200000113.1S36 M37 L38 F42 R43 G44 D45 F46S36-A40 PolarHBondContact O-N 3.14Å; M37-A40 PolarHBondContact O-N 2.95Å; L38-A40 PolarHBondContact O-N 2.88Å; A40-F42 VanDerWaalsContact C-N 3.26Å; A40-F42 PolarHBondContact O-N 3.1Å; A40-R43 PolarHBondContact O-N 2.8Å; A40-G44 PolarHBondContact O-N 3.16Å; A40-D45 WeakPolarHBondContact CA-OD2 3.46Å; A40-D45 HydrophobicContact CB-CB 4.09Å; A40-D45 WeakPolarHBondContact O-CB 3.45Å; A40-D45 PolarHBondContact O-N 2.78Å; A40-F46 HydrophobicContact CB-CD2 3.63Å; A40-F46 HydrophobicContact CB-CE2 3.48Å; A40-F46 VanDerWaalsContact CB-CE2 3.48Å
41M89.2Confident87.5Confident10 Ų1062.3 Ų62.35%0.04933%0.331CS..Hα-helixtrans-54.6-43175.8-173-176.7173.200111.6M37 L38 G44 T48 Y56 I58M37-M41 HydrophobicContact CE-SD 4.06Å; M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.26Å; M37-M41 PolarHBondContact O-N 2.88Å; L38-M41 HydrophobicContact CD2-SD 4.39Å; L38-M41 PolarHBondContact O-N 2.82Å; M41-G44 PolarHBondContact O-N 2.85Å; M41-T48 HydrophobicContact CB-CG2 4.49Å; M41-T48 HydrophobicContact CE-CG2 3.63Å; M41-T48 HydrophobicContact CG-CG2 3.32Å; M41-T48 HydrophobicContact SD-CG2 4.34Å; M41-Y56 HydrophobicContact CE-CD1 3.77Å; M41-Y56 HydrophobicContact CE-CG 4.29Å; M41-I58 HydrophobicContact CE-CG1 4.42Å; M41-I58 HydrophobicContact SD-CD1 4.41Å
42F87.1Confident87.5Confident26 Ų2666.3 Ų66.311%0.11436%0.361CS..Hα-helixtrans-91.8-8.5-176.5-79.3-82.8000114.8V14 L16 L27 L30 T31 L38 G39 A40 G44 Y56V14-F42 HydrophobicContact CG1-CE1 3.5Å; V14-F42 VanDerWaalsContact CG1-CE1 3.5Å; V14-F42 HydrophobicContact CG1-CZ 3.77Å; L16-F42 HydrophobicContact CD2-CE2 4.06Å; L16-F42 HydrophobicContact CD2-CZ 3.88Å; L27-F42 HydrophobicContact CD1-CB 3.7Å; L27-F42 HydrophobicContact CD1-CD1 3.66Å; L27-F42 HydrophobicContact CD1-CG 3.98Å; L30-F42 HydrophobicContact CB-CD2 4.01Å; L30-F42 HydrophobicContact CB-CE2 4.36Å; L30-F42 HydrophobicContact CB-CG 4.38Å; L30-F42 HydrophobicContact CD1-CD1 4.4Å; L30-F42 HydrophobicContact CD1-CD2 4.03Å; L30-F42 HydrophobicContact CD1-CE1 3.99Å; L30-F42 HydrophobicContact CD1-CE2 3.61Å; L30-F42 HydrophobicContact CD1-CG 4.42Å; L30-F42 HydrophobicContact CD1-CZ 3.58Å; L30-F42 HydrophobicContact CG-CE2 4.45Å; T31-F42 HydrophobicContact CG2-CB 3.89Å; L38-F42 WeakPolarHBondContact O-CD2 3.35Å; L38-F42 PolarHBondContact O-N 2.97Å; L38-F42 VanDerWaalsContact O-N 3.1Å; G39-F42 PolarHBondContact O-N 3.42Å; A40-F42 VanDerWaalsContact C-N 3.26Å; A40-F42 PolarHBondContact O-N 3.1Å; F42-G44 VanDerWaalsContact C-N 3.29Å; F42-Y56 HydrophobicContact CD1-CE2 4.46Å; F42-Y56 HydrophobicContact CE1-CD1 4.27Å; F42-Y56 AromaticContact CE1-CD2 3.66Å; F42-Y56 HydrophobicContact CE1-CD2 3.66Å; F42-Y56 HydrophobicContact CE1-CE1 4.06Å; F42-Y56 AromaticContact CE1-CE2 3.43Å; F42-Y56 HydrophobicContact CE1-CE2 3.43Å; F42-Y56 VanDerWaalsContact CE1-CE2 3.43Å; F42-Y56 HydrophobicContact CE1-CG 4.06Å; F42-Y56 AromaticContact CE1-CZ 3.61Å; F42-Y56 HydrophobicContact CZ-CD1 4.1Å; F42-Y56 AromaticContact CZ-CD2 3.69Å; F42-Y56 HydrophobicContact CZ-CD2 3.69Å; F42-Y56 HydrophobicContact CZ-CE1 4.34Å; F42-Y56 AromaticContact CZ-CE2 3.97Å; F42-Y56 HydrophobicContact CZ-CE2 3.97Å; F42-Y56 AromaticContact CZ-CG 3.74Å; F42-Y56 HydrophobicContact CZ-CG 3.74Å
43R82.4Confident87.6Confident128 Ų12868.2 Ų68.248%0.48338%0.375SS..Hα-helixtrans-79.6-12.1163.3-74.9-169.3-52.5-137.6-8.1113.2P34 G39 A40 D45P34-R43 PolarHBondContact O-NH1 2.73Å; P34-R43 PolarHBondContact O-NH2 3.4Å; G39-R43 WeakPolarHBondContact O-CG 3.48Å; G39-R43 PolarHBondContact O-N 2.78Å; A40-R43 PolarHBondContact O-N 2.8Å; R43-D45 IonicContact CZ-OD2 2.68Å; R43-D45 IonicContact NE-OD2 2.93Å; R43-D45 PolarHBondContact NE-OD2 3.39Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 2.84Å
44G78.6Confident87.6Confident60 Ų6067.6 Ų67.662%0.61938%0.382SS*.THydrogen-bonded Turntrans86.714.9-17600000113.5A40 M41 F42 F46A40-G44 PolarHBondContact O-N 3.16Å; M41-G44 PolarHBondContact O-N 2.85Å; F42-G44 VanDerWaalsContact C-N 3.29Å; G44-F46 PolarHBondContact O-N 2.84Å
45D75.2Confident87.8Confident89 Ų8966.1 Ų66.148%0.47637%0.37SS..SBendtrans-72.2-17.9-180-57.2-28.8000111.6A40 R43A40-D45 WeakPolarHBondContact CA-OD2 3.46Å; A40-D45 HydrophobicContact CB-CB 4.09Å; A40-D45 WeakPolarHBondContact O-CB 3.45Å; A40-D45 PolarHBondContact O-N 2.78Å; R43-D45 IonicContact CZ-OD2 2.68Å; R43-D45 IonicContact NE-OD2 2.93Å; R43-D45 PolarHBondContact NE-OD2 3.39Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 2.84Å
46F71.2Confident87.9Confident118 Ų11861.3 Ų61.352%0.51834%0.341SS..SBendtrans-134.3148.4-176.6-68-77.7000113.3A40 G44 T48A40-F46 HydrophobicContact CB-CD2 3.63Å; A40-F46 HydrophobicContact CB-CE2 3.48Å; A40-F46 VanDerWaalsContact CB-CE2 3.48Å; G44-F46 PolarHBondContact O-N 2.84Å; F46-T48 PolarHBondContact O-N 3.06Å
47P72.3Confident88Confident133 Ų13364.4 Ų64.486%0.86435%0.354SS*.  trans-62.2126.1167.7-16.829.6000110.8
48T83.9Confident88.1Confident45 Ų4562 Ų6228%0.27634%0.343SS..  trans-106.5123.1-179.664.60000111.1M41 F46 Y56M41-T48 HydrophobicContact CB-CG2 4.49Å; M41-T48 HydrophobicContact CE-CG2 3.63Å; M41-T48 HydrophobicContact CG-CG2 3.32Å; M41-T48 HydrophobicContact SD-CG2 4.34Å; F46-T48 PolarHBondContact O-N 3.06Å; T48-Y56 HydrophobicContact CG2-CD1 4.28Å; T48-Y56 HydrophobicContact CG2-CE1 4.16Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.31Å
49A91.1Very high88.3Confident55 Ų5568.3 Ų68.346%0.45538%0.376SS..  trans-65.3148.417100000110.7F57A49-F57 HydrophobicContact CB-CB 4.22Å; A49-F57 HydrophobicContact CB-CD1 4.28Å; A49-F57 PolarHBondContact O-N 3.46Å
50R93.6Very high88.6Confident135 Ų13571.8 Ų71.851%0.50939%0.39SS..BIsolated β-bridgetrans-127.4146.1171.6-67.1-176.6-178.3-103.50.2110.2G54 N55 Y56R50-G54 PolarHBondContact NH1-O 2.85Å; R50-N55 CarbonylContact C-O 3.59Å; R50-N55 WeakPolarHBondContact CA-O 3.45Å; R50-Y56 PolarHBondContact NH2-OH 2.83Å
51D93.6Very high89Confident27 Ų2774.2 Ų74.214%0.14440%0.401CS..  trans-76.9179171.771.913.8000111.7N17 Q53 G54 N55N17-D51 WeakPolarHBondContact CB-OD2 3.08Å; N17-D51 PolarHBondContact ND2-OD2 3.42Å; D51-Q53 PolarHBondContact O-N 2.93Å; D51-Q53 VanDerWaalsContact O-N 3.11Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.29Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; D51-Q53 PolarHBondContact OD1-N 2.8Å; D51-G54 PolarHBondContact O-N 2.99Å; D51-G54 PolarHBondContact OD1-N 3.35Å; D51-N55 PolarHBondContact N-O 3.28Å; D51-N55 PolarHBondContact OD1-N 3.41Å; D51-N55 PolarHBondContact OD1-ND2 2.74Å; D51-N55 WeakPolarHBondContact OD2-CB 3.47Å; D51-N55 PolarHBondContact OD2-ND2 2.7Å
52S93.1Very high89.4Confident126 Ų12673.8 Ų73.888%0.88140%0.399SS*.THydrogen-bonded Turntrans-62.8-15.818056.50000114.4
53Q93.3Very high90Very high157 Ų15775.8 Ų75.873%0.73442%0.415SS*.THydrogen-bonded Turntrans-99.91.5177.7-64.1179.960.900112D51 N55D51-Q53 PolarHBondContact O-N 2.93Å; D51-Q53 VanDerWaalsContact O-N 3.11Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.29Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; D51-Q53 PolarHBondContact OD1-N 2.8Å; Q53-N55 WeakPolarHBondContact CB-ND2 3.1Å
54G92.9Very high90.7Very high31 Ų3169.8 Ų69.832%0.3239%0.392SS..SBendtrans82.97179.300000114.5R50 D51R50-G54 PolarHBondContact NH1-O 2.85Å; D51-G54 PolarHBondContact O-N 2.99Å; D51-G54 PolarHBondContact OD1-N 3.35Å
55N94.3Very high91.6Very high27 Ų2766.9 Ų66.914%0.14436%0.363CS..PPolyproline II helixtrans-74.4147.9175.1-50.5-64.8000110.1T15 N17 M22 R50 D51 Q53 F57T15-N55 WeakPolarHBondContact CB-OD1 3.36Å; T15-N55 HydrophobicContact CG2-CB 4.18Å; T15-N55 VanDerWaalsContact CG2-OD1 3.25Å; T15-N55 WeakPolarHBondContact CG2-OD1 3.23Å; N17-N55 HydrophobicContact CB-CB 4.38Å; M22-N55 HydrophobicContact CE-CB 3.92Å; M22-N55 VanDerWaalsContact CE-CG 3.48Å; M22-N55 WeakPolarHBondContact CE-ND2 3.48Å; R50-N55 CarbonylContact C-O 3.59Å; R50-N55 WeakPolarHBondContact CA-O 3.45Å; D51-N55 PolarHBondContact N-O 3.28Å; D51-N55 PolarHBondContact OD1-N 3.41Å; D51-N55 PolarHBondContact OD1-ND2 2.74Å; D51-N55 WeakPolarHBondContact OD2-CB 3.47Å; D51-N55 PolarHBondContact OD2-ND2 2.7Å; Q53-N55 WeakPolarHBondContact CB-ND2 3.1Å; N55-F57 PolarHBondContact O-N 3.44Å
56Y94.5Very high92.7Very high50 Ų5069.9 Ų69.920%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-63.2124175.3-71.9-81000110V14 T15 L16 N17 M41 F42 T48 R50V14-Y56 HydrophobicContact CG1-CD2 3.76Å; V14-Y56 HydrophobicContact CG1-CE2 3.9Å; T15-Y56 PolarHBondContact O-N 2.95Å; T15-Y56 VanDerWaalsContact O-N 3.17Å; L16-Y56 CarbonylContact C-O 3.58Å; L16-Y56 WeakPolarHBondContact CA-O 3.13Å; N17-Y56 PolarHBondContact N-O 3.28Å; M41-Y56 HydrophobicContact CE-CD1 3.77Å; M41-Y56 HydrophobicContact CE-CG 4.29Å; F42-Y56 HydrophobicContact CD1-CE2 4.46Å; F42-Y56 HydrophobicContact CE1-CD1 4.27Å; F42-Y56 AromaticContact CE1-CD2 3.66Å; F42-Y56 HydrophobicContact CE1-CD2 3.66Å; F42-Y56 HydrophobicContact CE1-CE1 4.06Å; F42-Y56 AromaticContact CE1-CE2 3.43Å; F42-Y56 HydrophobicContact CE1-CE2 3.43Å; F42-Y56 VanDerWaalsContact CE1-CE2 3.43Å; F42-Y56 HydrophobicContact CE1-CG 4.06Å; F42-Y56 AromaticContact CE1-CZ 3.61Å; F42-Y56 HydrophobicContact CZ-CD1 4.1Å; F42-Y56 AromaticContact CZ-CD2 3.69Å; F42-Y56 HydrophobicContact CZ-CD2 3.69Å; F42-Y56 HydrophobicContact CZ-CE1 4.34Å; F42-Y56 AromaticContact CZ-CE2 3.97Å; F42-Y56 HydrophobicContact CZ-CE2 3.97Å; F42-Y56 AromaticContact CZ-CG 3.74Å; F42-Y56 HydrophobicContact CZ-CG 3.74Å; T48-Y56 HydrophobicContact CG2-CD1 4.28Å; T48-Y56 HydrophobicContact CG2-CE1 4.16Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.31Å; R50-Y56 PolarHBondContact NH2-OH 2.83Å
57F95.9Very high94Very high67 Ų6766.4 Ų66.429%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-102.7132.4-175.7179.2-108.5000111.4N17 A49 N55 D59N17-F57 HydrophobicContact CB-CD2 4.1Å; N17-F57 CarbonylContact O-C 3.51Å; N17-F57 WeakPolarHBondContact O-CA 3.36Å; N17-F57 WeakPolarHBondContact O-CD2 3.36Å; A49-F57 HydrophobicContact CB-CB 4.22Å; A49-F57 HydrophobicContact CB-CD1 4.28Å; A49-F57 PolarHBondContact O-N 3.46Å; N55-F57 PolarHBondContact O-N 3.44Å; F57-D59 HydrophobicContact CE1-CB 3.83Å; F57-D59 HydrophobicContact CZ-CB 4.01Å
58I96.1Very high95.2Very high8 Ų860.1 Ų60.14%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-130.2118.5175.1-53.5173.2000108L16 N17 V18 G19 L38 M41 R60 F95 Y96L16-I58 HydrophobicContact CD2-CD1 3.87Å; N17-I58 PolarHBondContact O-N 2.74Å; V18-I58 CarbonylContact C-O 3.44Å; V18-I58 VanDerWaalsContact CA-O 3.3Å; V18-I58 WeakPolarHBondContact CA-O 3.43Å; V18-I58 HydrophobicContact CG1-CB 4.41Å; V18-I58 HydrophobicContact CG2-CB 4.36Å; V18-I58 HydrophobicContact CG2-CD1 4.36Å; G19-I58 PolarHBondContact N-O 2.84Å; L38-I58 HydrophobicContact CD2-CD1 3.8Å; M41-I58 HydrophobicContact CE-CG1 4.42Å; M41-I58 HydrophobicContact SD-CD1 4.41Å; I58-R60 HydrophobicContact CG2-CB 3.94Å; I58-R60 HydrophobicContact CG2-CG 3.48Å; I58-R60 VanDerWaalsContact CG2-CG 3.48Å; I58-R60 PolarHBondContact O-N 2.83Å; I58-F95 HydrophobicContact CG2-CE1 4.06Å; I58-Y96 HydrophobicContact CD1-CE1 4.26Å; I58-Y96 HydrophobicContact CG2-CE1 4.02Å
59D96.3Very high95.9Very high132 Ų13258 Ų5871%0.70630%0.298SS*.  trans-81.467.9-178.7-169.123.8000111.4F57F57-D59 HydrophobicContact CE1-CB 3.83Å; F57-D59 HydrophobicContact CZ-CB 4.01Å
60R97.4Very high96.1Very high73 Ų7357.5 Ų57.528%0.27529%0.287SS..SBendtrans-139.8175.8-175.3-64.1-58.1-62.6-178.9-1.8112.1V18 G19 I58 G62 E92 F95 Y96V18-R60 CarbonylContact C-O 3.51Å; V18-R60 HydrophobicContact CG1-CB 3.98Å; G19-R60 VanDerWaalsContact CA-O 3.23Å; G19-R60 WeakPolarHBondContact CA-O 3.23Å; G19-R60 PolarHBondContact N-O 2.93Å; I58-R60 HydrophobicContact CG2-CB 3.94Å; I58-R60 HydrophobicContact CG2-CG 3.48Å; I58-R60 VanDerWaalsContact CG2-CG 3.48Å; I58-R60 PolarHBondContact O-N 2.83Å; R60-G62 PolarHBondContact O-N 2.68Å; R60-G62 VanDerWaalsContact O-N 3.1Å; R60-E92 IonicContact CZ-OE1 3.41Å; R60-E92 IonicContact CZ-OE2 3.52Å; R60-E92 IonicContact NE-OE1 2.69Å; R60-E92 IonicContact NE-OE2 3.32Å; R60-E92 PolarHBondContact NE-OE2 2.87Å; R60-E92 VanDerWaalsContact NH2-CD 3.33Å; R60-E92 IonicContact NH2-OE1 3.04Å; R60-E92 PolarHBondContact NH2-OE1 3.01Å; R60-E92 IonicContact NH2-OE2 3.44Å; R60-E92 PolarHBondContact NH2-OE2 2.71Å; R60-F95 HydrophobicContact CG-CD1 3.67Å; R60-F95 HydrophobicContact CG-CE1 3.38Å; R60-F95 HydrophobicContact CG-CE2 4.32Å; R60-F95 HydrophobicContact CG-CG 4.27Å; R60-F95 HydrophobicContact CG-CZ 3.74Å; R60-Y96 VanDerWaalsContact CB-OH 3.31Å; R60-Y96 WeakPolarHBondContact CB-OH 3.38Å
61D98.1Very high96.2Very high61 Ų6151.2 Ų51.233%0.32626%0.263SS..  trans-67.9106.4180-167.9-69000111.7P63 L64 F65 E92D61-P63 WeakPolarHBondContact OD1-CD 3.32Å; D61-L64 HydrophobicContact CB-CB 4.25Å; D61-L64 HydrophobicContact CB-CD1 4.19Å; D61-L64 HydrophobicContact CB-CG 4.47Å; D61-L64 WeakPolarHBondContact OD1-CB 2.85Å; D61-L64 WeakPolarHBondContact OD1-CG 3.46Å; D61-L64 PolarHBondContact OD1-N 2.73Å; D61-F65 PolarHBondContact O-N 3.11Å; D61-F65 VanDerWaalsContact O-N 3.16Å; D61-E92 HydrophobicContact CB-CG 4.49Å
62G97.8Very high96.3Very high1 Ų150 Ų501%0.0126%0.257CS..Hα-helixtrans-61.1-50179.400000114V18 Y23 R60 L64 F65V18-G62 VanDerWaalsContact O-CA 3.24Å; V18-G62 WeakPolarHBondContact O-CA 3.49Å; Y23-G62 VanDerWaalsContact CE2-O 3.28Å; Y23-G62 WeakPolarHBondContact CE2-O 3.23Å; Y23-G62 VanDerWaalsContact CZ-O 3.29Å; Y23-G62 PolarHBondContact OH-O 2.68Å; R60-G62 PolarHBondContact O-N 2.68Å; R60-G62 VanDerWaalsContact O-N 3.1Å; G62-L64 PolarHBondContact O-N 2.88Å; G62-F65 WeakPolarHBondContact O-CB 3.44Å; G62-F65 PolarHBondContact O-N 2.95Å
63P98Very high96.2Very high68 Ų6848.6 Ų48.644%0.44223%0.232SC..Hα-helixtrans-55.8-45.9178.2-30.136.6000114.1D61 F65 R66D61-P63 WeakPolarHBondContact OD1-CD 3.32Å; P63-F65 VanDerWaalsContact C-N 3.31Å; P63-F65 PolarHBondContact O-N 2.81Å; P63-R66 WeakPolarHBondContact O-CB 3.49Å; P63-R66 PolarHBondContact O-N 3.38Å
64L97.9Very high96Very high2 Ų244.6 Ų44.61%0.0122%0.218CC..Hα-helixtrans-69.9-28.9179.9-68.7174.9000112.7D61 G62 R66 Y67 F83 E85 L88 L89 E92D61-L64 HydrophobicContact CB-CB 4.25Å; D61-L64 HydrophobicContact CB-CD1 4.19Å; D61-L64 HydrophobicContact CB-CG 4.47Å; D61-L64 WeakPolarHBondContact OD1-CB 2.85Å; D61-L64 WeakPolarHBondContact OD1-CG 3.46Å; D61-L64 PolarHBondContact OD1-N 2.73Å; G62-L64 PolarHBondContact O-N 2.88Å; L64-R66 PolarHBondContact O-N 2.65Å; L64-Y67 HydrophobicContact CD2-CD2 4.24Å; L64-Y67 HydrophobicContact CD2-CE2 4.27Å; L64-Y67 PolarHBondContact O-N 2.86Å; L64-F83 HydrophobicContact CD2-CE2 4.27Å; L64-F83 HydrophobicContact CD2-CZ 4Å; L64-E85 HydrophobicContact CD2-CB 4.12Å; L64-L88 HydrophobicContact CD1-CB 3.46Å; L64-L88 VanDerWaalsContact CD1-CB 3.46Å; L64-L89 HydrophobicContact CD2-CB 4.46Å; L64-E92 HydrophobicContact CB-CG 3.98Å; L64-E92 HydrophobicContact CD1-CG 4.11Å
65F98.3Very high95.9Very high0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-56.9-24.9175.6-171.6-105000113.2L16 V18 Y23 L38 D61 G62 P63 Y67 V68 L69 Y96L16-F65 HydrophobicContact CD1-CE1 3.97Å; L16-F65 HydrophobicContact CD1-CZ 3.95Å; V18-F65 HydrophobicContact CB-CB 4.41Å; V18-F65 HydrophobicContact CB-CD1 4.48Å; V18-F65 HydrophobicContact CB-CG 4.36Å; V18-F65 HydrophobicContact CG1-CB 3.98Å; V18-F65 HydrophobicContact CG1-CD2 4.39Å; V18-F65 HydrophobicContact CG1-CG 4.12Å; V18-F65 HydrophobicContact CG2-CD1 3.77Å; V18-F65 HydrophobicContact CG2-CD2 4.33Å; V18-F65 HydrophobicContact CG2-CE1 3.98Å; V18-F65 HydrophobicContact CG2-CG 3.94Å; V18-F65 HydrophobicContact CG2-CZ 4.35Å; Y23-F65 HydrophobicContact CD1-CD1 4.28Å; Y23-F65 AromaticContact CD2-CD1 3.56Å; Y23-F65 HydrophobicContact CD2-CD1 3.56Å; Y23-F65 HydrophobicContact CD2-CE1 4.18Å; Y23-F65 HydrophobicContact CE1-CD1 4.45Å; Y23-F65 HydrophobicContact CE2-CB 4.11Å; Y23-F65 AromaticContact CE2-CD1 3.74Å; Y23-F65 HydrophobicContact CE2-CD1 3.74Å; Y23-F65 HydrophobicContact CE2-CG 4.38Å; Y23-F65 AromaticContact CG-CD1 3.83Å; Y23-F65 HydrophobicContact CG-CD1 3.83Å; Y23-F65 HydrophobicContact CG-CE1 4.14Å; L38-F65 HydrophobicContact CD1-CE2 4.1Å; L38-F65 HydrophobicContact CD1-CZ 4.38Å; D61-F65 PolarHBondContact O-N 3.11Å; D61-F65 VanDerWaalsContact O-N 3.16Å; G62-F65 WeakPolarHBondContact O-CB 3.44Å; G62-F65 PolarHBondContact O-N 2.95Å; P63-F65 VanDerWaalsContact C-N 3.31Å; P63-F65 PolarHBondContact O-N 2.81Å; F65-Y67 PolarHBondContact O-N 3.48Å; F65-V68 HydrophobicContact CD2-CB 4.17Å; F65-V68 HydrophobicContact CD2-CG1 4.28Å; F65-V68 HydrophobicContact CE2-CG1 4.18Å; F65-V68 PolarHBondContact O-N 2.79Å; F65-L69 HydrophobicContact CD1-CB 4.3Å; F65-L69 HydrophobicContact CE1-CB 4.09Å; F65-L69 HydrophobicContact CE1-CD1 4.36Å; F65-L69 HydrophobicContact CE1-CD2 4.23Å; F65-L69 HydrophobicContact CE1-CG 4.47Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.4Å; F65-L69 PolarHBondContact O-N 3.36Å; F65-Y96 HydrophobicContact CD2-CE1 4.16Å; F65-Y96 AromaticContact CD2-CE2 3.69Å; F65-Y96 HydrophobicContact CD2-CE2 3.69Å; F65-Y96 AromaticContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-OH 3.28Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.43Å; F65-Y96 AromaticContact CE2-CE1 3.95Å; F65-Y96 HydrophobicContact CE2-CE1 3.95Å; F65-Y96 HydrophobicContact CE2-CE2 4.14Å; F65-Y96 AromaticContact CE2-CZ 3.75Å
66R97.8Very high95.5Very high151 Ų15150 Ų5057%0.5724%0.24SC*.Hα-helixtrans-54.6-41.9173.3-178.8-179.3173.3121.4-0.4112.2Y23 P63 L64 N70Y23-R66 HydrophobicContact CE1-CB 4.18Å; Y23-R66 PolarHBondContact OH-N 2.86Å; P63-R66 WeakPolarHBondContact O-CB 3.49Å; P63-R66 PolarHBondContact O-N 3.38Å; L64-R66 PolarHBondContact O-N 2.65Å; R66-N70 WeakPolarHBondContact O-CB 3.27Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 2.96Å; R66-N70 PolarHBondContact O-ND2 2.79Å
67Y97.6Very high95.3Very high46 Ų4648.6 Ų48.618%0.1824%0.235CC..Hα-helixtrans-74-39.7-178.2-56.5-67.1000111.3L64 F65 L69 N70 F71 L79 P80 F83 L89L64-Y67 HydrophobicContact CD2-CD2 4.24Å; L64-Y67 HydrophobicContact CD2-CE2 4.27Å; L64-Y67 PolarHBondContact O-N 2.86Å; F65-Y67 PolarHBondContact O-N 3.48Å; Y67-L69 VanDerWaalsContact C-N 3.35Å; Y67-L69 PolarHBondContact O-N 2.79Å; Y67-N70 PolarHBondContact O-N 3.2Å; Y67-F71 PolarHBondContact O-N 2.98Å; Y67-L79 HydrophobicContact CD1-CD2 3.65Å; Y67-L79 HydrophobicContact CE1-CD2 4.22Å; Y67-L79 HydrophobicContact CG-CD2 3.86Å; Y67-P80 HydrophobicContact CE1-CG 4.19Å; Y67-F83 AromaticContact CD2-CE2 3.99Å; Y67-F83 HydrophobicContact CD2-CE2 3.99Å; Y67-F83 HydrophobicContact CD2-CZ 4.29Å; Y67-F83 HydrophobicContact CE2-CD2 4.19Å; Y67-F83 AromaticContact CE2-CE2 3.43Å; Y67-F83 HydrophobicContact CE2-CE2 3.43Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.43Å; Y67-F83 HydrophobicContact CE2-CZ 4.16Å; Y67-F83 AromaticContact CZ-CE2 3.74Å; Y67-L89 HydrophobicContact CD2-CD1 4.45Å; Y67-L89 HydrophobicContact CG-CD2 4.36Å
68V98.1Very high94.7Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-56.8-50.9171.1176.90000110.2F65 N70 F71 L72 L89 E92 Y96 I98 L101F65-V68 HydrophobicContact CD2-CB 4.17Å; F65-V68 HydrophobicContact CD2-CG1 4.28Å; F65-V68 HydrophobicContact CE2-CG1 4.18Å; F65-V68 PolarHBondContact O-N 2.79Å; V68-N70 VanDerWaalsContact C-N 3.33Å; V68-N70 PolarHBondContact O-N 3.15Å; V68-F71 WeakPolarHBondContact O-CB 3.4Å; V68-F71 PolarHBondContact O-N 2.83Å; V68-F71 VanDerWaalsContact O-N 3.17Å; V68-L72 WeakPolarHBondContact O-CG 3.22Å; V68-L72 PolarHBondContact O-N 3.39Å; V68-L89 HydrophobicContact CG2-CD1 4.06Å; V68-E92 HydrophobicContact CG2-CB 4.26Å; V68-Y96 HydrophobicContact CB-CD2 4.44Å; V68-Y96 HydrophobicContact CG1-CD2 3.86Å; V68-Y96 HydrophobicContact CG1-CE2 4.38Å; V68-Y96 HydrophobicContact CG1-CG 4.35Å; V68-Y96 HydrophobicContact CG2-CD2 3.97Å; V68-Y96 HydrophobicContact CG2-CE2 4.15Å; V68-I98 HydrophobicContact CG1-CD1 3.49Å; V68-I98 VanDerWaalsContact CG1-CD1 3.49Å; V68-L101 HydrophobicContact CG2-CD2 4.22Å
69L97.8Very high94.3Very high2 Ų249.3 Ų49.31%0.0125%0.245CC..Hα-helixtrans-62.7-38.9-179.1-17458.5000112.7Y23 T25 T29 L30 F65 Y67 L72 R73Y23-L69 HydrophobicContact CD1-CD2 3.59Å; Y23-L69 HydrophobicContact CE1-CD2 4.38Å; Y23-L69 HydrophobicContact CG-CD2 4.14Å; T25-L69 HydrophobicContact CG2-CD1 3.85Å; T29-L69 HydrophobicContact CG2-CD1 3.97Å; L30-L69 HydrophobicContact CD2-CD1 4.43Å; F65-L69 HydrophobicContact CD1-CB 4.3Å; F65-L69 HydrophobicContact CE1-CB 4.09Å; F65-L69 HydrophobicContact CE1-CD1 4.36Å; F65-L69 HydrophobicContact CE1-CD2 4.23Å; F65-L69 HydrophobicContact CE1-CG 4.47Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.4Å; F65-L69 PolarHBondContact O-N 3.36Å; Y67-L69 VanDerWaalsContact C-N 3.35Å; Y67-L69 PolarHBondContact O-N 2.79Å; L69-L72 PolarHBondContact O-N 2.92Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 2.98Å
70N96.2Very high93.8Very high43 Ų4345.5 Ų45.523%0.2323%0.228CC..Hα-helixtrans-66.5-41175.1-75.6-16.6000111.7R66 Y67 V68 L72 R73 T74R66-N70 WeakPolarHBondContact O-CB 3.27Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 2.96Å; R66-N70 PolarHBondContact O-ND2 2.79Å; Y67-N70 PolarHBondContact O-N 3.2Å; V68-N70 VanDerWaalsContact C-N 3.33Å; V68-N70 PolarHBondContact O-N 3.15Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 2.81Å; N70-R73 WeakPolarHBondContact O-CA 3.47Å; N70-R73 WeakPolarHBondContact O-CB 3.32Å; N70-R73 PolarHBondContact O-N 3.11Å; N70-R73 PolarHBondContact OD1-NH1 3.36Å; N70-T74 PolarHBondContact O-N 2.93Å; N70-T74 PolarHBondContact O-OG1 3.24Å; N70-T74 VanDerWaalsContact O-OG1 3.1Å
71F95.7Very high92.6Very high4 Ų446.5 Ų46.52%0.01824%0.238CC..Hα-helixtrans-59.7-40.3173-173.6-91000111.9Y33 Y67 V68 R73 S75 E76 L77 I98 P100 L101Y33-F71 AromaticContact CE2-CD1 3.9Å; Y33-F71 HydrophobicContact CE2-CD1 3.9Å; Y33-F71 AromaticContact CE2-CE1 3.61Å; Y33-F71 HydrophobicContact CE2-CE1 3.61Å; Y33-F71 AromaticContact CZ-CE1 3.65Å; Y33-F71 VanDerWaalsContact OH-CE1 3.28Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.33Å; Y67-F71 PolarHBondContact O-N 2.98Å; V68-F71 WeakPolarHBondContact O-CB 3.4Å; V68-F71 PolarHBondContact O-N 2.83Å; V68-F71 VanDerWaalsContact O-N 3.17Å; F71-R73 PolarHBondContact O-N 2.88Å; F71-S75 WeakPolarHBondContact O-CA 3.32Å; F71-S75 PolarHBondContact O-N 3.25Å; F71-E76 VanDerWaalsContact CD2-C 3.47Å; F71-L77 HydrophobicContact CD2-CB 4.24Å; F71-L77 HydrophobicContact CE2-CB 4.46Å; F71-I98 HydrophobicContact CD1-CG2 4.02Å; F71-I98 HydrophobicContact CE1-CG2 3.85Å; F71-P100 HydrophobicContact CE1-CB 4.18Å; F71-P100 HydrophobicContact CZ-CB 3.91Å; F71-L101 HydrophobicContact CB-CD1 4.29Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.83Å; F71-L101 HydrophobicContact CD1-CD1 4.43Å; F71-L101 HydrophobicContact CD1-CD2 4.44Å; F71-L101 HydrophobicContact CD1-CG 4.46Å; F71-L101 HydrophobicContact CD2-CB 4.4Å; F71-L101 HydrophobicContact CD2-CD1 3.75Å; F71-L101 HydrophobicContact CE1-CB 3.73Å; F71-L101 HydrophobicContact CE2-CB 4.31Å; F71-L101 HydrophobicContact CE2-CD1 4.17Å; F71-L101 HydrophobicContact CG-CB 4.17Å; F71-L101 HydrophobicContact CG-CD1 3.9Å; F71-L101 HydrophobicContact CG-CD2 4.39Å; F71-L101 HydrophobicContact CG-CG 4.38Å; F71-L101 HydrophobicContact CZ-CB 3.98Å
72L95.2Very high91.7Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-64.5-21.1173.7-65.1179.8000113.7T29 L30 R32 Y33 L38 V68 L69 N70 I98T29-L72 HydrophobicContact CG2-CB 3.67Å; L30-L72 HydrophobicContact CD2-CD1 4.33Å; R32-L72 WeakPolarHBondContact CD-O 3.46Å; R32-L72 PolarHBondContact NE-O 3.03Å; Y33-L72 HydrophobicContact CD2-CD2 3.49Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.49Å; Y33-L72 HydrophobicContact CE2-CD2 3.92Å; L38-L72 HydrophobicContact CD1-CD1 3.71Å; V68-L72 WeakPolarHBondContact O-CG 3.22Å; V68-L72 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 2.92Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 2.81Å; L72-I98 HydrophobicContact CD2-CD1 3.87Å; L72-I98 HydrophobicContact CG-CD1 4.34Å
73R92.1Very high91.2Very high98 Ų9850.2 Ų50.237%0.3726%0.257SS..Hα-helixtrans-86.3-46.3177.9-70.6168176.3156.5-4.8111.7T24 T29 R32 L69 N70 F71T24-R73 PolarHBondContact O-NH2 2.72Å; T29-R73 HydrophobicContact CG2-CG 3.64Å; R32-R73 PolarHBondContact NH2-O 3.36Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 2.98Å; N70-R73 WeakPolarHBondContact O-CA 3.47Å; N70-R73 WeakPolarHBondContact O-CB 3.32Å; N70-R73 PolarHBondContact O-N 3.11Å; N70-R73 PolarHBondContact OD1-NH1 3.36Å; F71-R73 PolarHBondContact O-N 2.88Å
74T89.1Confident90.8Very high72 Ų7255.7 Ų55.744%0.44227%0.274SS..Hα-helixtrans-102.7-20.9-169.960.20000113.5N70 E76N70-T74 PolarHBondContact O-N 2.93Å; N70-T74 PolarHBondContact O-OG1 3.24Å; N70-T74 VanDerWaalsContact O-OG1 3.1Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 PolarHBondContact OG1-N 2.92Å; T74-E76 PolarHBondContact OG1-O 3.34Å
75S89.1Confident90.7Very high46 Ų4660 Ų6032%0.32229%0.294SS..SBendtrans62.722.5-166.8-41.30000113.4R32 Y33 F71R32-S75 WeakPolarHBondContact CD-OG 3.47Å; R32-S75 PolarHBondContact NH1-OG 2.95Å; R32-S75 VanDerWaalsContact NH1-OG 3.17Å; Y33-S75 WeakPolarHBondContact OH-CB 3.46Å; Y33-S75 PolarHBondContact OH-OG 3.06Å; F71-S75 WeakPolarHBondContact O-CA 3.32Å; F71-S75 PolarHBondContact O-N 3.25Å
76E87.4Confident90.4Very high126 Ų12664.3 Ų64.359%0.58931%0.313SS*.SBendtrans-129137.9179.6-65.7-179.3178.600110.6F71 T74 T78F71-E76 VanDerWaalsContact CD2-C 3.47Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 PolarHBondContact OG1-N 2.92Å; T74-E76 PolarHBondContact OG1-O 3.34Å; E76-T78 PolarHBondContact O-N 3.26Å; E76-T78 VanDerWaalsContact O-N 3.1Å
77L88.9Confident90.2Very high21 Ų2162.7 Ų62.711%0.1132%0.315CS..  trans-81.881.6-18017754.1000111.1F71 L79 L89 L101 C104 L105 L111F71-L77 HydrophobicContact CD2-CB 4.24Å; F71-L77 HydrophobicContact CE2-CB 4.46Å; L77-L79 HydrophobicContact CD1-CD1 3.92Å; L77-L79 HydrophobicContact CD1-CD2 3.84Å; L77-L79 HydrophobicContact CD1-CG 3.75Å; L77-L79 HydrophobicContact CD2-CD1 4.23Å; L77-L79 HydrophobicContact CG-CD1 4.02Å; L77-L79 HydrophobicContact CG-CG 4.04Å; L77-L79 PolarHBondContact O-N 3.15Å; L77-L89 HydrophobicContact CD1-CD2 4.3Å; L77-L101 HydrophobicContact CD1-CD1 3.67Å; L77-L101 HydrophobicContact CD2-CD1 4.43Å; L77-L101 HydrophobicContact CG-CD1 4.42Å; L77-C104 HydrophobicContact CB-CB 4.1Å; L77-C104 HydrophobicContact CD2-CB 3.75Å; L77-L105 HydrophobicContact CD1-CD2 4.43Å; L77-L105 HydrophobicContact CD2-CD2 3.65Å; L77-L105 HydrophobicContact CD2-CG 3.88Å; L77-L111 WeakPolarHBondContact O-CD1 3.36Å; L77-L111 WeakPolarHBondContact O-CD2 3.02Å
78T84.8Confident90.1Very high77 Ų7763.9 Ų63.947%0.47233%0.325SS..  trans-88.4112.6177.8-43.60000111.8E76E76-T78 PolarHBondContact O-N 3.26Å; E76-T78 VanDerWaalsContact O-N 3.1Å
79L87.6Confident90.1Very high12 Ų1263.9 Ų63.96%0.06333%0.325CS..  trans-118.8151.9178.1-60.1175.5000111.6Y67 L77 F83 F86 L89 L111Y67-L79 HydrophobicContact CD1-CD2 3.65Å; Y67-L79 HydrophobicContact CE1-CD2 4.22Å; Y67-L79 HydrophobicContact CG-CD2 3.86Å; L77-L79 HydrophobicContact CD1-CD1 3.92Å; L77-L79 HydrophobicContact CD1-CD2 3.84Å; L77-L79 HydrophobicContact CD1-CG 3.75Å; L77-L79 HydrophobicContact CD2-CD1 4.23Å; L77-L79 HydrophobicContact CG-CD1 4.02Å; L77-L79 HydrophobicContact CG-CG 4.04Å; L77-L79 PolarHBondContact O-N 3.15Å; L79-F83 HydrophobicContact CB-CB 4.15Å; L79-F83 HydrophobicContact CB-CD1 4.47Å; L79-F83 HydrophobicContact CB-CG 4.27Å; L79-F83 HydrophobicContact CD1-CD1 3.8Å; L79-F83 HydrophobicContact CD1-CE1 4.16Å; L79-F83 HydrophobicContact CD1-CG 4.42Å; L79-F83 HydrophobicContact CD2-CD1 4.25Å; L79-F83 HydrophobicContact CD2-CE1 4.25Å; L79-F83 HydrophobicContact CD2-CG 4.39Å; L79-F83 HydrophobicContact CD2-CZ 4.42Å; L79-F83 HydrophobicContact CG-CD1 4.4Å; L79-F86 HydrophobicContact CD1-CD1 4.08Å; L79-F86 HydrophobicContact CD1-CE1 3.49Å; L79-F86 VanDerWaalsContact CD1-CE1 3.49Å; L79-F86 HydrophobicContact CD1-CZ 4.23Å; L79-L89 HydrophobicContact CD1-CD2 4.27Å; L79-L89 HydrophobicContact CD2-CD2 3.54Å; L79-L111 HydrophobicContact CB-CD1 4.26Å
80P84.9Confident90Very high53 Ų5367.4 Ų67.434%0.34434%0.338SS..  trans-55.8146.2166.2-22.932.6000111.3Y67 D82 F83Y67-P80 HydrophobicContact CE1-CG 4.19Å; P80-D82 PolarHBondContact O-N 3.14Å; P80-F83 HydrophobicContact CB-CB 4.35Å; P80-F83 HydrophobicContact CG-CD2 4.5Å; P80-F83 WeakPolarHBondContact O-CB 3.35Å; P80-F83 PolarHBondContact O-N 3.49Å
81L71.8Confident90.1Very high94 Ų9471.4 Ų71.449%0.49235%0.353SS..THydrogen-bonded Turntrans-57.3-33.8178.5-82.7146.3000112.9Y112L81-Y112 HydrophobicContact CD2-CE2 3.83Å; L81-Y112 HydrophobicContact CG-CE2 4.48Å
82D80.2Confident90.2Very high122 Ų12271.8 Ų71.865%0.65236%0.355SS*.THydrogen-bonded Turntrans-99.919.8179.468-35.8000112.9P80 K84P80-D82 PolarHBondContact O-N 3.14Å; D82-K84 VanDerWaalsContact O-CG 3.23Å; D82-K84 WeakPolarHBondContact O-CG 3.23Å; D82-K84 PolarHBondContact O-N 3.19Å
83F87.8Confident90.3Very high17 Ų1771.8 Ų71.88%0.07536%0.355CS..  trans-59.4126.7177.2-171.5-105.6000110.4L64 Y67 L79 P80 E85 F86 L89L64-F83 HydrophobicContact CD2-CE2 4.27Å; L64-F83 HydrophobicContact CD2-CZ 4Å; Y67-F83 AromaticContact CD2-CE2 3.99Å; Y67-F83 HydrophobicContact CD2-CE2 3.99Å; Y67-F83 HydrophobicContact CD2-CZ 4.29Å; Y67-F83 HydrophobicContact CE2-CD2 4.19Å; Y67-F83 AromaticContact CE2-CE2 3.43Å; Y67-F83 HydrophobicContact CE2-CE2 3.43Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.43Å; Y67-F83 HydrophobicContact CE2-CZ 4.16Å; Y67-F83 AromaticContact CZ-CE2 3.74Å; L79-F83 HydrophobicContact CB-CB 4.15Å; L79-F83 HydrophobicContact CB-CD1 4.47Å; L79-F83 HydrophobicContact CB-CG 4.27Å; L79-F83 HydrophobicContact CD1-CD1 3.8Å; L79-F83 HydrophobicContact CD1-CE1 4.16Å; L79-F83 HydrophobicContact CD1-CG 4.42Å; L79-F83 HydrophobicContact CD2-CD1 4.25Å; L79-F83 HydrophobicContact CD2-CE1 4.25Å; L79-F83 HydrophobicContact CD2-CG 4.39Å; L79-F83 HydrophobicContact CD2-CZ 4.42Å; L79-F83 HydrophobicContact CG-CD1 4.4Å; P80-F83 HydrophobicContact CB-CB 4.35Å; P80-F83 HydrophobicContact CG-CD2 4.5Å; P80-F83 WeakPolarHBondContact O-CB 3.35Å; P80-F83 PolarHBondContact O-N 3.49Å; F83-E85 HydrophobicContact CE1-CB 4.21Å; F83-E85 HydrophobicContact CE2-CB 4.09Å; F83-E85 HydrophobicContact CZ-CB 3.72Å; F83-F86 HydrophobicContact CB-CZ 4.48Å; F83-F86 HydrophobicContact CD1-CD1 4.06Å; F83-F86 HydrophobicContact CD1-CD2 4.03Å; F83-F86 HydrophobicContact CD1-CE1 4.03Å; F83-F86 HydrophobicContact CD1-CE2 4.01Å; F83-F86 HydrophobicContact CD1-CG 4.06Å; F83-F86 HydrophobicContact CD1-CZ 4Å; F83-F86 HydrophobicContact CE1-CD1 4.32Å; F83-F86 HydrophobicContact CE1-CG 4.28Å; F83-F86 WeakPolarHBondContact O-CE2 2.97Å; F83-L89 HydrophobicContact CE1-CB 4.1Å; F83-L89 HydrophobicContact CE1-CD2 3.91Å; F83-L89 HydrophobicContact CZ-CB 3.97Å; F83-L89 HydrophobicContact CZ-CD2 3.91Å
84K89.1Confident90.5Very high184 Ų18470.2 Ų70.280%0.835%0.354SS*.  trans-113.6-10.2-176-55.6-171.9-178.2172.60113.7D82 F86D82-K84 VanDerWaalsContact O-CG 3.23Å; D82-K84 WeakPolarHBondContact O-CG 3.23Å; D82-K84 PolarHBondContact O-N 3.19Å; K84-F86 VanDerWaalsContact C-N 3.33Å; K84-F86 PolarHBondContact O-N 3.37Å
85E94.9Very high90.9Very high92 Ų9270.4 Ų70.443%0.4335%0.349SS..  trans-98.234.9-168.2-62.6-179.9104.300112.1L64 F83 D87 L88 L89L64-E85 HydrophobicContact CD2-CB 4.12Å; F83-E85 HydrophobicContact CE1-CB 4.21Å; F83-E85 HydrophobicContact CE2-CB 4.09Å; F83-E85 HydrophobicContact CZ-CB 3.72Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.38Å; E85-L88 HydrophobicContact CB-CB 4.3Å; E85-L88 HydrophobicContact CB-CD1 4.17Å; E85-L88 HydrophobicContact CG-CD1 4.17Å; E85-L88 PolarHBondContact O-N 2.74Å; E85-L88 VanDerWaalsContact O-N 3.14Å; E85-L89 PolarHBondContact O-N 2.88Å
86F92.6Very high91.2Very high90 Ų9068.2 Ų68.240%0.39533%0.333SS..Hα-helixtrans-55.9-44.3-177.3-73.8-82.4000113.1L79 F83 K84 L88 L89 R90 L105L79-F86 HydrophobicContact CD1-CD1 4.08Å; L79-F86 HydrophobicContact CD1-CE1 3.49Å; L79-F86 VanDerWaalsContact CD1-CE1 3.49Å; L79-F86 HydrophobicContact CD1-CZ 4.23Å; F83-F86 HydrophobicContact CB-CZ 4.48Å; F83-F86 HydrophobicContact CD1-CD1 4.06Å; F83-F86 HydrophobicContact CD1-CD2 4.03Å; F83-F86 HydrophobicContact CD1-CE1 4.03Å; F83-F86 HydrophobicContact CD1-CE2 4.01Å; F83-F86 HydrophobicContact CD1-CG 4.06Å; F83-F86 HydrophobicContact CD1-CZ 4Å; F83-F86 HydrophobicContact CE1-CD1 4.32Å; F83-F86 HydrophobicContact CE1-CG 4.28Å; F83-F86 WeakPolarHBondContact O-CE2 2.97Å; K84-F86 VanDerWaalsContact C-N 3.33Å; K84-F86 PolarHBondContact O-N 3.37Å; F86-L88 VanDerWaalsContact C-N 3.32Å; F86-L88 PolarHBondContact O-N 2.66Å; F86-L89 PolarHBondContact O-N 3.32Å; F86-R90 WeakPolarHBondContact O-CB 3.26Å; F86-R90 PolarHBondContact O-N 2.61Å; F86-L105 HydrophobicContact CD1-CD2 4.37Å
87D93.1Very high91.7Very high117 Ų11768 Ų6863%0.62633%0.332SS*.Hα-helixtrans-67.3-34.9179.7-65.7-29.2000112.1E85 K91E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.38Å; D87-K91 WeakPolarHBondContact O-CG 3.21Å; D87-K91 PolarHBondContact O-N 2.88Å; D87-K91 VanDerWaalsContact O-N 3.15Å
88L96.8Very high92Very high72 Ų7267 Ų6738%0.37733%0.327SS..Hα-helixtrans-71.8-44.9177.1-58.8179.2000110.4L64 E85 F86 R90 K91 E92L64-L88 HydrophobicContact CD1-CB 3.46Å; L64-L88 VanDerWaalsContact CD1-CB 3.46Å; E85-L88 HydrophobicContact CB-CB 4.3Å; E85-L88 HydrophobicContact CB-CD1 4.17Å; E85-L88 HydrophobicContact CG-CD1 4.17Å; E85-L88 PolarHBondContact O-N 2.74Å; E85-L88 VanDerWaalsContact O-N 3.14Å; F86-L88 VanDerWaalsContact C-N 3.32Å; F86-L88 PolarHBondContact O-N 2.66Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.55Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.14Å; L88-E92 PolarHBondContact O-N 3.26Å
89L97.1Very high92.4Very high0 Ų068.3 Ų68.30%033%0.328CS..Hα-helixtrans-62.7-34.8175.8-177.658.5000112.1L64 Y67 V68 L77 L79 F83 E85 F86 E92 A93 L105L64-L89 HydrophobicContact CD2-CB 4.46Å; Y67-L89 HydrophobicContact CD2-CD1 4.45Å; Y67-L89 HydrophobicContact CG-CD2 4.36Å; V68-L89 HydrophobicContact CG2-CD1 4.06Å; L77-L89 HydrophobicContact CD1-CD2 4.3Å; L79-L89 HydrophobicContact CD1-CD2 4.27Å; L79-L89 HydrophobicContact CD2-CD2 3.54Å; F83-L89 HydrophobicContact CE1-CB 4.1Å; F83-L89 HydrophobicContact CE1-CD2 3.91Å; F83-L89 HydrophobicContact CZ-CB 3.97Å; F83-L89 HydrophobicContact CZ-CD2 3.91Å; E85-L89 PolarHBondContact O-N 2.88Å; F86-L89 PolarHBondContact O-N 3.32Å; L89-E92 PolarHBondContact O-N 3.2Å; L89-A93 PolarHBondContact O-N 2.96Å; L89-L105 HydrophobicContact CD2-CD2 4.03Å; L89-L105 HydrophobicContact CG-CD1 4.09Å; L89-L105 HydrophobicContact CG-CD2 4.28Å
90R95.9Very high92.6Very high76 Ų7670 Ų7029%0.28734%0.339SS..Hα-helixtrans-61.8-45.2172.8-169.2179.7-56.4-151.74.7111.7F86 L88 E92 A93 D94 L105 N106F86-R90 WeakPolarHBondContact O-CB 3.26Å; F86-R90 PolarHBondContact O-N 2.61Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.55Å; R90-E92 VanDerWaalsContact C-N 3.27Å; R90-E92 PolarHBondContact O-N 3.48Å; R90-A93 WeakPolarHBondContact O-CB 3.47Å; R90-A93 PolarHBondContact O-N 3.41Å; R90-A93 VanDerWaalsContact O-N 3.16Å; R90-D94 WeakPolarHBondContact O-CB 3.35Å; R90-D94 VanDerWaalsContact O-CG 3.28Å; R90-D94 PolarHBondContact O-N 2.92Å; R90-L105 HydrophobicContact CB-CD1 4.35Å; R90-L105 PolarHBondContact NH2-O 3.24Å; R90-N106 PolarHBondContact NH1-OD1 3.14Å
91K97.3Very high93.1Very high126 Ų12667.4 Ų67.455%0.54832%0.323SS..Hα-helixtrans-60.9-35.5174.7-70.6172.2-176.6177.50112.6D87 L88 F95D87-K91 WeakPolarHBondContact O-CG 3.21Å; D87-K91 PolarHBondContact O-N 2.88Å; D87-K91 VanDerWaalsContact O-N 3.15Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.14Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 2.87Å
92E98.3Very high94.1Very high12 Ų1263.6 Ų63.66%0.05630%0.303CS..Hα-helixtrans-68.7-46172.6-64.5-44.6124.400111.6R60 D61 L64 V68 L88 L89 R90 D94 F95 Y96R60-E92 IonicContact CZ-OE1 3.41Å; R60-E92 IonicContact CZ-OE2 3.52Å; R60-E92 IonicContact NE-OE1 2.69Å; R60-E92 IonicContact NE-OE2 3.32Å; R60-E92 PolarHBondContact NE-OE2 2.87Å; R60-E92 VanDerWaalsContact NH2-CD 3.33Å; R60-E92 IonicContact NH2-OE1 3.04Å; R60-E92 PolarHBondContact NH2-OE1 3.01Å; R60-E92 IonicContact NH2-OE2 3.44Å; R60-E92 PolarHBondContact NH2-OE2 2.71Å; D61-E92 HydrophobicContact CB-CG 4.49Å; L64-E92 HydrophobicContact CB-CG 3.98Å; L64-E92 HydrophobicContact CD1-CG 4.11Å; V68-E92 HydrophobicContact CG2-CB 4.26Å; L88-E92 PolarHBondContact O-N 3.26Å; L89-E92 PolarHBondContact O-N 3.2Å; R90-E92 VanDerWaalsContact C-N 3.27Å; R90-E92 PolarHBondContact O-N 3.48Å; E92-D94 VanDerWaalsContact C-N 3.28Å; E92-D94 PolarHBondContact O-N 3.25Å; E92-F95 WeakPolarHBondContact O-CB 3.38Å; E92-F95 PolarHBondContact O-N 3.45Å; E92-F95 VanDerWaalsContact O-N 3.09Å; E92-Y96 HydrophobicContact CB-CD2 4.29Å; E92-Y96 HydrophobicContact CB-CE2 4.04Å; E92-Y96 WeakPolarHBondContact O-CD2 3.28Å; E92-Y96 PolarHBondContact O-N 3.48Å
93A97.1Very high94.5Very high0 Ų062.9 Ų62.90%030%0.296CS..Hα-helixtrans-57.5-42.1176.500000112.3L89 R90 Q97 I98 L101 I102 L105L89-A93 PolarHBondContact O-N 2.96Å; R90-A93 WeakPolarHBondContact O-CB 3.47Å; R90-A93 PolarHBondContact O-N 3.41Å; R90-A93 VanDerWaalsContact O-N 3.16Å; A93-Q97 PolarHBondContact O-N 2.93Å; A93-I98 PolarHBondContact O-N 2.74Å; A93-I98 VanDerWaalsContact O-N 3.14Å; A93-L101 HydrophobicContact CB-CB 4.34Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.66Å; A93-I102 HydrophobicContact CB-CG1 3.86Å; A93-L105 HydrophobicContact CB-CD1 3.72Å
94D96.8Very high94.5Very high65 Ų6564.3 Ų64.335%0.34831%0.307SS..Hα-helixtrans-62.3-47.9172.5-69.5-26.1000110.8R90 E92 Y96 Q97 I102R90-D94 WeakPolarHBondContact O-CB 3.35Å; R90-D94 VanDerWaalsContact O-CG 3.28Å; R90-D94 PolarHBondContact O-N 2.92Å; E92-D94 VanDerWaalsContact C-N 3.28Å; E92-D94 PolarHBondContact O-N 3.25Å; D94-Y96 VanDerWaalsContact C-N 3.35Å; D94-Y96 PolarHBondContact O-N 2.95Å; D94-Q97 PolarHBondContact O-N 3.44Å; D94-Q97 PolarHBondContact O-NE2 2.85Å; D94-I102 VanDerWaalsContact OD1-CD1 3.3Å; D94-I102 WeakPolarHBondContact OD1-CD1 3.37Å; D94-I102 WeakPolarHBondContact OD1-CG1 3.41Å
95F97.1Very high94.5Very high77 Ų7755.8 Ų55.834%0.33827%0.27SS..Hα-helixtrans-58.3-45.5178.6176.2-91.2000112.4I58 R60 K91 E92 Q97I58-F95 HydrophobicContact CG2-CE1 4.06Å; R60-F95 HydrophobicContact CG-CD1 3.67Å; R60-F95 HydrophobicContact CG-CE1 3.38Å; R60-F95 HydrophobicContact CG-CE2 4.32Å; R60-F95 HydrophobicContact CG-CG 4.27Å; R60-F95 HydrophobicContact CG-CZ 3.74Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 2.87Å; E92-F95 WeakPolarHBondContact O-CB 3.38Å; E92-F95 PolarHBondContact O-N 3.45Å; E92-F95 VanDerWaalsContact O-N 3.09Å; F95-Q97 PolarHBondContact O-N 3.3Å
96Y96.8Very high93.9Very high0 Ų055.5 Ų55.50%027%0.271CS..THydrogen-bonded Turntrans-77.4-4.6178.1-61.4-64.5000113.3S36 M37 L38 I58 R60 F65 V68 E92 D94 I98S36-Y96 WeakPolarHBondContact CB-O 3.38Å; M37-Y96 WeakPolarHBondContact CB-O 3.32Å; M37-Y96 PolarHBondContact N-O 3.32Å; M37-Y96 HydrophobicContact SD-CD1 4.42Å; L38-Y96 HydrophobicContact CD1-CD1 3.98Å; L38-Y96 HydrophobicContact CD1-CG 4.32Å; L38-Y96 HydrophobicContact CD2-CD1 4.01Å; L38-Y96 HydrophobicContact CD2-CE1 4.27Å; L38-Y96 HydrophobicContact CG-CD1 3.87Å; I58-Y96 HydrophobicContact CD1-CE1 4.26Å; I58-Y96 HydrophobicContact CG2-CE1 4.02Å; R60-Y96 VanDerWaalsContact CB-OH 3.31Å; R60-Y96 WeakPolarHBondContact CB-OH 3.38Å; F65-Y96 HydrophobicContact CD2-CE1 4.16Å; F65-Y96 AromaticContact CD2-CE2 3.69Å; F65-Y96 HydrophobicContact CD2-CE2 3.69Å; F65-Y96 AromaticContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-OH 3.28Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.43Å; F65-Y96 AromaticContact CE2-CE1 3.95Å; F65-Y96 HydrophobicContact CE2-CE1 3.95Å; F65-Y96 HydrophobicContact CE2-CE2 4.14Å; F65-Y96 AromaticContact CE2-CZ 3.75Å; V68-Y96 HydrophobicContact CB-CD2 4.44Å; V68-Y96 HydrophobicContact CG1-CD2 3.86Å; V68-Y96 HydrophobicContact CG1-CE2 4.38Å; V68-Y96 HydrophobicContact CG1-CG 4.35Å; V68-Y96 HydrophobicContact CG2-CD2 3.97Å; V68-Y96 HydrophobicContact CG2-CE2 4.15Å; E92-Y96 HydrophobicContact CB-CD2 4.29Å; E92-Y96 HydrophobicContact CB-CE2 4.04Å; E92-Y96 WeakPolarHBondContact O-CD2 3.28Å; E92-Y96 PolarHBondContact O-N 3.48Å; D94-Y96 VanDerWaalsContact C-N 3.35Å; D94-Y96 PolarHBondContact O-N 2.95Å; Y96-I98 VanDerWaalsContact C-N 3.32Å; Y96-I98 PolarHBondContact O-N 3.14Å
97Q96.2Very high92.9Very high120 Ų12056.6 Ų56.656%0.56128%0.281SS*.THydrogen-bonded Turntrans55.444.1178.9-58.2-74.4-5300112.3S36 M37 A93 D94 F95 E99S36-Q97 WeakPolarHBondContact CA-O 3.5Å; S36-Q97 WeakPolarHBondContact CB-O 3.46Å; M37-Q97 HydrophobicContact CB-CB 4.41Å; M37-Q97 HydrophobicContact CB-CG 4.39Å; A93-Q97 PolarHBondContact O-N 2.93Å; D94-Q97 PolarHBondContact O-N 3.44Å; D94-Q97 PolarHBondContact O-NE2 2.85Å; F95-Q97 PolarHBondContact O-N 3.3Å; Q97-E99 PolarHBondContact O-N 3.48Å
98I96.7Very high91.2Very high0 Ų055.1 Ų55.10%028%0.278CS..  trans-96.883.8179.4-55.7166.2000108.6Y33 V68 F71 L72 A93 Y96 L101 I102Y33-I98 HydrophobicContact CD2-CG2 3.93Å; Y33-I98 HydrophobicContact CE2-CG2 4.19Å; Y33-I98 HydrophobicContact CG-CG2 4.38Å; V68-I98 HydrophobicContact CG1-CD1 3.49Å; V68-I98 VanDerWaalsContact CG1-CD1 3.49Å; F71-I98 HydrophobicContact CD1-CG2 4.02Å; F71-I98 HydrophobicContact CE1-CG2 3.85Å; L72-I98 HydrophobicContact CD2-CD1 3.87Å; L72-I98 HydrophobicContact CG-CD1 4.34Å; A93-I98 PolarHBondContact O-N 2.74Å; A93-I98 VanDerWaalsContact O-N 3.14Å; Y96-I98 VanDerWaalsContact C-N 3.32Å; Y96-I98 PolarHBondContact O-N 3.14Å; I98-L101 HydrophobicContact CB-CB 4.02Å; I98-L101 HydrophobicContact CD1-CD2 4.44Å; I98-L101 HydrophobicContact CG2-CB 3.66Å; I98-L101 WeakPolarHBondContact O-CA 3.29Å; I98-L101 WeakPolarHBondContact O-CB 3.4Å; I98-L101 PolarHBondContact O-N 3.19Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.22Å
99E93.2Very high89.2Confident105 Ų10559.9 Ų59.949%0.49130%0.296SS..Hα-helixtrans-50.6-45.6-174-174.961.4-151.600114.2Q97 L101 I102 Q103Q97-E99 PolarHBondContact O-N 3.48Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 3.43Å; E99-Q103 WeakPolarHBondContact O-CG 3.4Å; E99-Q103 PolarHBondContact O-N 3.47Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å
100P91.4Very high87.1Confident47 Ų4763.7 Ų63.731%0.30532%0.321SS..Hα-helixtrans-63.1-32.5177.7-25.538.2000113.6Y33 F71 C104Y33-P100 HydrophobicContact CD1-CG 4.08Å; Y33-P100 HydrophobicContact CE1-CB 4.32Å; Y33-P100 HydrophobicContact CE1-CG 3.73Å; F71-P100 HydrophobicContact CE1-CB 4.18Å; F71-P100 HydrophobicContact CZ-CB 3.91Å; P100-C104 PolarHBondContact O-N 3.08Å; P100-C104 VanDerWaalsContact O-N 3.08Å; P100-C104 PolarHBondContact O-SG 3.04Å
101L94.2Very high85Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-71.9-41.6176.5176.458000111V68 F71 L77 A93 I98 E99 Q103 C104 L105V68-L101 HydrophobicContact CG2-CD2 4.22Å; F71-L101 HydrophobicContact CB-CD1 4.29Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.83Å; F71-L101 HydrophobicContact CD1-CD1 4.43Å; F71-L101 HydrophobicContact CD1-CD2 4.44Å; F71-L101 HydrophobicContact CD1-CG 4.46Å; F71-L101 HydrophobicContact CD2-CB 4.4Å; F71-L101 HydrophobicContact CD2-CD1 3.75Å; F71-L101 HydrophobicContact CE1-CB 3.73Å; F71-L101 HydrophobicContact CE2-CB 4.31Å; F71-L101 HydrophobicContact CE2-CD1 4.17Å; F71-L101 HydrophobicContact CG-CB 4.17Å; F71-L101 HydrophobicContact CG-CD1 3.9Å; F71-L101 HydrophobicContact CG-CD2 4.39Å; F71-L101 HydrophobicContact CG-CG 4.38Å; F71-L101 HydrophobicContact CZ-CB 3.98Å; L77-L101 HydrophobicContact CD1-CD1 3.67Å; L77-L101 HydrophobicContact CD2-CD1 4.43Å; L77-L101 HydrophobicContact CG-CD1 4.42Å; A93-L101 HydrophobicContact CB-CB 4.34Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.66Å; I98-L101 HydrophobicContact CB-CB 4.02Å; I98-L101 HydrophobicContact CD1-CD2 4.44Å; I98-L101 HydrophobicContact CG2-CB 3.66Å; I98-L101 WeakPolarHBondContact O-CA 3.29Å; I98-L101 WeakPolarHBondContact O-CB 3.4Å; I98-L101 PolarHBondContact O-N 3.19Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; L101-Q103 VanDerWaalsContact C-N 3.29Å; L101-Q103 PolarHBondContact O-N 2.82Å; L101-C104 PolarHBondContact O-N 3.4Å; L101-L105 HydrophobicContact CD1-CD1 3.98Å; L101-L105 HydrophobicContact CD1-CG 4.26Å; L101-L105 HydrophobicContact CG-CD1 3.96Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.44Å
102I93.3Very high83Confident14 Ų1461.4 Ų61.47%0.07232%0.315CS..Hα-helixtrans-58-45.5175-63.3166.7000109.6A93 D94 I98 E99 L105 N106A93-I102 HydrophobicContact CB-CG1 3.86Å; D94-I102 VanDerWaalsContact OD1-CD1 3.3Å; D94-I102 WeakPolarHBondContact OD1-CD1 3.37Å; D94-I102 WeakPolarHBondContact OD1-CG1 3.41Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.22Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 3.43Å; I102-L105 PolarHBondContact O-N 2.84Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.45Å; I102-N106 WeakPolarHBondContact O-CB 3.21Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 2.97Å
103Q89.1Confident81.2Confident107 Ų10764.4 Ų64.450%0.534%0.335SS..Hα-helixtrans-60.8-46.2176.3-70174.85.200112.3E99 L101 L105 N106 D107E99-Q103 WeakPolarHBondContact O-CG 3.4Å; E99-Q103 PolarHBondContact O-N 3.47Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å; L101-Q103 VanDerWaalsContact C-N 3.29Å; L101-Q103 PolarHBondContact O-N 2.82Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.37Å; Q103-N106 PolarHBondContact O-N 2.94Å; Q103-D107 PolarHBondContact O-N 3.15Å
104C86.9Confident79.6Confident47 Ų4770.2 Ų70.232%0.31837%0.37SS..Hα-helixtrans-61.1-33.5175.4-72.20000113.3L77 P100 L101 D107 P108L77-C104 HydrophobicContact CB-CB 4.1Å; L77-C104 HydrophobicContact CD2-CB 3.75Å; P100-C104 PolarHBondContact O-N 3.08Å; P100-C104 VanDerWaalsContact O-N 3.08Å; P100-C104 PolarHBondContact O-SG 3.04Å; L101-C104 PolarHBondContact O-N 3.4Å; C104-D107 CarbonylContact O-C 3.55Å; C104-P108 WeakPolarHBondContact O-CA 3.39Å
105L89.7Confident78.3Confident5 Ų569.9 Ų69.93%0.02637%0.369CS..Hα-helixtrans-78.4-32.3177.7-71.5164.3000112L77 F86 L89 R90 A93 L101 I102 Q103L77-L105 HydrophobicContact CD1-CD2 4.43Å; L77-L105 HydrophobicContact CD2-CD2 3.65Å; L77-L105 HydrophobicContact CD2-CG 3.88Å; F86-L105 HydrophobicContact CD1-CD2 4.37Å; L89-L105 HydrophobicContact CD2-CD2 4.03Å; L89-L105 HydrophobicContact CG-CD1 4.09Å; L89-L105 HydrophobicContact CG-CD2 4.28Å; R90-L105 HydrophobicContact CB-CD1 4.35Å; R90-L105 PolarHBondContact NH2-O 3.24Å; A93-L105 HydrophobicContact CB-CD1 3.72Å; L101-L105 HydrophobicContact CD1-CD1 3.98Å; L101-L105 HydrophobicContact CD1-CG 4.26Å; L101-L105 HydrophobicContact CG-CD1 3.96Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.44Å; I102-L105 PolarHBondContact O-N 2.84Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.37Å
106N82.8Confident77.2Confident85 Ų8567.5 Ų67.546%0.45536%0.36SS..Hα-helixtrans-75.4-37.7178.5-70.6-16.7000112.8R90 I102 Q103R90-N106 PolarHBondContact NH1-OD1 3.14Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.45Å; I102-N106 WeakPolarHBondContact O-CB 3.21Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 2.97Å; Q103-N106 PolarHBondContact O-N 2.94Å
107D72.1Confident76.3Confident113 Ų11371.6 Ų71.660%0.60438%0.378SS*.SBendtrans-125.682.1177.4-172.612.4000108.1Q103 C104 K109Q103-D107 PolarHBondContact O-N 3.15Å; C104-D107 CarbonylContact O-C 3.55Å; D107-K109 PolarHBondContact O-N 3.34Å
108P57.3Low75.6Confident86 Ų8668.2 Ų68.256%0.55836%0.362SS*.  trans-66.488.1-178.127.2-32.8000108.9C104 P110C104-P108 WeakPolarHBondContact O-CA 3.39Å; P108-P110 WeakPolarHBondContact O-CD 3.48Å; P108-P110 VanDerWaalsContact O-N 3.11Å
109K55Low75.4Confident173 Ų17369.8 Ų69.875%0.75237%0.37SS*.  trans-53.8119.2158.1-74.3-179.8-178.1172.80105.5D107 L111D107-K109 PolarHBondContact O-N 3.34Å; K109-L111 PolarHBondContact O-N 3.36Å
110P51.9Low75.3Confident79 Ų7967.4 Ų67.451%0.51336%0.363SS..  trans-60133.4-173.325.3-33.6000108.1P108 Y112 V114P108-P110 WeakPolarHBondContact O-CD 3.48Å; P108-P110 VanDerWaalsContact O-N 3.11Å; P110-Y112 CarbonylContact C-O 3.5Å; P110-Y112 VanDerWaalsContact CB-O 3.23Å; P110-Y112 WeakPolarHBondContact CB-O 3.17Å; P110-Y112 WeakPolarHBondContact CG-O 3.21Å; P110-Y112 PolarHBondContact O-N 2.88Å; P110-Y112 VanDerWaalsContact O-O 3.09Å; P110-V114 HydrophobicContact CG-CG2 3.73Å
111L52.1Low75.5Confident83 Ų8365.2 Ų65.244%0.43535%0.348SS..SBendtrans-59.1-13.1-177.8-81.5167.7000113.6L77 L79 K109L77-L111 WeakPolarHBondContact O-CD1 3.36Å; L77-L111 WeakPolarHBondContact O-CD2 3.02Å; L79-L111 HydrophobicContact CB-CD1 4.26Å; K109-L111 PolarHBondContact O-N 3.36Å
112Y55.3Low75.5Confident72 Ų7270 Ų7028%0.28237%0.371SS..SBendtrans-131.3153.8174.6-35.6-77.7000106.8L81 P110 V114 T116 L231L81-Y112 HydrophobicContact CD2-CE2 3.83Å; L81-Y112 HydrophobicContact CG-CE2 4.48Å; P110-Y112 CarbonylContact C-O 3.5Å; P110-Y112 VanDerWaalsContact CB-O 3.23Å; P110-Y112 WeakPolarHBondContact CB-O 3.17Å; P110-Y112 WeakPolarHBondContact CG-O 3.21Å; P110-Y112 PolarHBondContact O-N 2.88Å; P110-Y112 VanDerWaalsContact O-O 3.09Å; Y112-V114 PolarHBondContact O-N 3.3Å; Y112-T116 HydrophobicContact CG-CG2 4.42Å; Y112-L231 HydrophobicContact CD1-CD1 4.43Å; Y112-L231 HydrophobicContact CE1-CD1 4.48Å
113P60.7Low75.6Confident75 Ų7569.4 Ų69.449%0.48737%0.368SS..  trans-44.9142.1164.5-28.137.4000110.7D115 T116P113-D115 WeakPolarHBondContact CB-OD1 3.37Å; P113-D115 PolarHBondContact O-N 3.34Å; P113-T116 WeakPolarHBondContact O-CA 3.24Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.49Å; P113-T116 PolarHBondContact O-N 2.85Å; P113-T116 PolarHBondContact O-OG1 3.02Å
114V63.3Low75.8Confident121 Ų12165.1 Ų65.173%0.73335%0.349SS*.THydrogen-bonded Turntrans-57.3-23.2-174.3177.30000112.8P110 Y112 T116P110-V114 HydrophobicContact CG-CG2 3.73Å; Y112-V114 PolarHBondContact O-N 3.3Å; V114-T116 VanDerWaalsContact C-N 3.32Å
115D69.5Low76Confident59 Ų5962.9 Ų62.932%0.31633%0.334SS..THydrogen-bonded Turntrans-76.9-12.5173.458.6-52.4000113.2P113 R233 K234P113-D115 WeakPolarHBondContact CB-OD1 3.37Å; P113-D115 PolarHBondContact O-N 3.34Å; D115-R233 CarbonylContact O-C 3.55Å; D115-R233 VanDerWaalsContact O-CA 3.31Å; D115-R233 WeakPolarHBondContact O-CA 3.36Å; D115-K234 HydrophobicContact CB-CB 4.15Å; D115-K234 PolarHBondContact O-N 2.98Å
116T74.1Confident75.9Confident26 Ų2663.3 Ų63.316%0.1634%0.337CS..EExtended strand (participates in β ladder)trans-90.9127.9-176.7-52.60000111.7Y112 P113 V114 L231 A232Y112-T116 HydrophobicContact CG-CG2 4.42Å; P113-T116 WeakPolarHBondContact O-CA 3.24Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.49Å; P113-T116 PolarHBondContact O-N 2.85Å; P113-T116 PolarHBondContact O-OG1 3.02Å; V114-T116 VanDerWaalsContact C-N 3.32Å; T116-L231 HydrophobicContact CG2-CB 4.19Å; T116-L231 HydrophobicContact CG2-CD2 4.3Å; T116-A232 CarbonylContact C-O 3.51Å; T116-A232 VanDerWaalsContact CA-O 3.23Å; T116-A232 WeakPolarHBondContact CA-O 3.37Å; T116-A232 WeakPolarHBondContact CG2-O 3.36Å
117F78.8Confident76Confident87 Ų8762.6 Ų62.638%0.38233%0.328SS..EExtended strand (participates in β ladder)trans-135.3168.3175.765.7-83.5000110.6E119 A232 K234F117-E119 HydrophobicContact CD2-CG 4.21Å; F117-E119 HydrophobicContact CE2-CG 3.56Å; F117-E119 HydrophobicContact CZ-CG 4.34Å; F117-A232 HydrophobicContact CE1-CB 4.18Å; F117-A232 HydrophobicContact CE2-CB 4.13Å; F117-A232 HydrophobicContact CZ-CB 3.91Å; F117-A232 PolarHBondContact N-O 3.25Å; F117-A232 PolarHBondContact O-N 3.11Å; F117-A232 VanDerWaalsContact O-O 3.12Å; F117-K234 HydrophobicContact CD1-CG 3.93Å; F117-K234 HydrophobicContact CE1-CG 3.89Å
118E81.4Confident76.3Confident48 Ų4862.5 Ų62.522%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-98.1130.3177.3179.9160.1-101.400111.8V120 R206 C229 R230E118-V120 HydrophobicContact CG-CG2 4.09Å; E118-R206 IonicContact OE1-CZ 3.5Å; E118-R206 IonicContact OE1-NH1 3.14Å; E118-R206 IonicContact OE1-NH2 3.1Å; E118-R206 PolarHBondContact OE1-NH2 2.67Å; E118-R206 IonicContact OE2-CZ 3.81Å; E118-R206 IonicContact OE2-NH1 3.53Å; E118-R206 PolarHBondContact OE2-NH1 3.14Å; E118-R206 IonicContact OE2-NH2 3.46Å; E118-R206 PolarHBondContact OE2-NH2 2.99Å; E118-C229 HydrophobicContact CG-CB 4.1Å; E118-C229 WeakPolarHBondContact OE1-CB 3.33Å; E118-R230 WeakPolarHBondContact CA-O 3.45Å
119E90.8Very high77.1Confident33 Ų3360.6 Ų60.615%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-95.5137.5167.1-70.3-179.4145.100109.9F117 V149 F203 C229 R230 A232F117-E119 HydrophobicContact CD2-CG 4.21Å; F117-E119 HydrophobicContact CE2-CG 3.56Å; F117-E119 HydrophobicContact CZ-CG 4.34Å; E119-V149 HydrophobicContact CB-CG2 3.73Å; E119-V149 HydrophobicContact CG-CG2 3.76Å; E119-V149 WeakPolarHBondContact OE1-CG2 3.39Å; E119-F203 HydrophobicContact CB-CE1 3.87Å; E119-F203 HydrophobicContact CB-CZ 4.06Å; E119-C229 WeakPolarHBondContact O-CA 3.4Å; E119-R230 HydrophobicContact CB-CG 4.19Å; E119-R230 PolarHBondContact N-O 3.02Å; E119-R230 PolarHBondContact O-N 2.85Å; E119-R230 VanDerWaalsContact O-N 3.11Å; E119-R230 IonicContact OE1-NH2 3.12Å; E119-R230 IonicContact OE2-CZ 2.65Å; E119-R230 IonicContact OE2-NE 2.55Å; E119-R230 PolarHBondContact OE2-NE 3.47Å; E119-R230 IonicContact OE2-NH2 2.66Å; E119-R230 PolarHBondContact OE2-NH2 2.83Å; E119-A232 HydrophobicContact CG-CB 3.83Å
120V91.4Very high77.5Confident56 Ų5653.9 Ų53.934%0.33928%0.282SS..EExtended strand (participates in β ladder)trans-120.9140.1-178.5-177.90000109.9E118 E122 T147 T227 F228E118-V120 HydrophobicContact CG-CG2 4.09Å; V120-E122 HydrophobicContact CG1-CG 4.32Å; V120-T147 PolarHBondContact O-OG1 3.1Å; V120-T227 HydrophobicContact CG1-CG2 3.76Å; V120-F228 WeakPolarHBondContact CA-O 3.38Å
121V95.2Very high77.8Confident0 Ų055.2 Ų55.20%028%0.28CS..EExtended strand (participates in β ladder)trans-127126.8171-177.90000107.8I145 L152 I198 F203 F228V121-I145 HydrophobicContact CG1-CG2 3.95Å; V121-L152 HydrophobicContact CB-CD2 4.33Å; V121-L152 HydrophobicContact CG1-CD2 4.02Å; V121-L152 HydrophobicContact CG2-CD2 3.32Å; V121-I198 HydrophobicContact CB-CG2 4.5Å; V121-I198 HydrophobicContact CG1-CD1 3.9Å; V121-I198 HydrophobicContact CG1-CG1 4.32Å; V121-I198 HydrophobicContact CG1-CG2 4.45Å; V121-F203 HydrophobicContact CG2-CD1 3.8Å; V121-F203 HydrophobicContact CG2-CD2 4.42Å; V121-F203 HydrophobicContact CG2-CE1 3.45Å; V121-F203 VanDerWaalsContact CG2-CE1 3.45Å; V121-F203 HydrophobicContact CG2-CE2 4.12Å; V121-F203 HydrophobicContact CG2-CG 4.28Å; V121-F203 HydrophobicContact CG2-CZ 3.64Å; V121-F228 HydrophobicContact CB-CB 4.32Å; V121-F228 PolarHBondContact N-O 3.1Å; V121-F228 PolarHBondContact O-N 2.84Å
122E95.1Very high77.9Confident102 Ų10260.1 Ų60.148%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-107131.7173.1-63-177.7159.400109.1V120 I145 T146 W226V120-E122 HydrophobicContact CG1-CG 4.32Å; E122-I145 CarbonylContact O-C 3.55Å; E122-I145 VanDerWaalsContact O-CA 3.26Å; E122-I145 WeakPolarHBondContact O-CA 3.4Å; E122-T146 PolarHBondContact N-O 3.17Å; E122-T146 PolarHBondContact O-N 3.46Å; E122-W226 WeakPolarHBondContact CA-O 3.49Å
123L94.6Very high77.7Confident1 Ų159.1 Ų59.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-119.2122.8171174.266.1000107.7L143 T144 I145 R191 L194 M195 N225 W226 F228L123-L143 HydrophobicContact CD1-CD2 4.39Å; L123-T144 CarbonylContact C-O 3.4Å; L123-T144 VanDerWaalsContact CA-O 3.32Å; L123-T144 WeakPolarHBondContact CA-O 2.86Å; L123-I145 HydrophobicContact CD1-CG1 3.66Å; L123-R191 HydrophobicContact CD2-CG 4.24Å; L123-L194 HydrophobicContact CD1-CD1 4.18Å; L123-M195 HydrophobicContact CD2-CG 3.63Å; L123-M195 HydrophobicContact CD2-SD 4.5Å; L123-N225 CarbonylContact O-C 3.46Å; L123-W226 HydrophobicContact CB-CB 4.38Å; L123-W226 HydrophobicContact CB-CE3 4.49Å; L123-W226 HydrophobicContact CD2-CE3 4.2Å; L123-W226 HydrophobicContact CG-CE3 4.06Å; L123-W226 PolarHBondContact N-O 3.06Å; L123-W226 PolarHBondContact O-N 2.97Å; L123-F228 HydrophobicContact CB-CE2 4.09Å; L123-F228 HydrophobicContact CD2-CE2 4.49Å
124S93.3Very high77Confident16 Ų1662.8 Ų62.811%0.11231%0.313CS..EExtended strand (participates in β ladder)trans-117.6146.6173.872.80000111.7L143 T144 H224 N225S124-L143 CarbonylContact O-C 3.59Å; S124-L143 VanDerWaalsContact O-CA 3.26Å; S124-L143 WeakPolarHBondContact O-CA 3.28Å; S124-T144 PolarHBondContact N-O 3.26Å; S124-T144 PolarHBondContact O-N 2.86Å; S124-T144 WeakPolarHBondContact OG-CB 3.37Å; S124-H224 CarbonylContact C-O 3.59Å; S124-H224 WeakPolarHBondContact CA-O 3.3Å; S124-N225 WeakPolarHBondContact CB-OD1 3.46Å
125S91.4Very high76.4Confident0 Ų063.3 Ų63.30%032%0.319CS..EExtended strand (participates in β ladder)trans-124.2109.7170.2-176.10000108.2Q142 E187 E223 H224S125-Q142 CarbonylContact C-O 3.49Å; S125-Q142 WeakPolarHBondContact CA-O 3.39Å; S125-E187 PolarHBondContact OG-OE1 2.86Å; S125-E223 CarbonylContact O-C 3.53Å; S125-E223 WeakPolarHBondContact O-CA 3.39Å; S125-H224 PolarHBondContact N-O 3.28Å; S125-H224 PolarHBondContact O-N 3.21Å
126T88.6Confident75.9Confident14 Ų1465.5 Ų65.59%0.08633%0.334CS..EExtended strand (participates in β ladder)trans-108.3120.1-178.2-43.80000109.7K128 T141 Q142 T221 V222 E223T126-K128 HydrophobicContact CG2-CG 4.09Å; T126-T141 CarbonylContact O-C 3.5Å; T126-T141 VanDerWaalsContact O-CA 3.28Å; T126-T141 WeakPolarHBondContact O-CA 3.5Å; T126-Q142 PolarHBondContact N-O 2.86Å; T126-Q142 PolarHBondContact O-N 3.35Å; T126-T221 HydrophobicContact CG2-CG2 3.55Å; T126-V222 CarbonylContact C-O 3.5Å; T126-V222 WeakPolarHBondContact CA-O 3.38Å; T126-E223 PolarHBondContact OG1-OE1 3.08Å
127R83.4Confident75.2Confident70 Ų7066.9 Ų66.926%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-102.1121.7170.8-62.4-173.4-148.5-81.9-8109.4I140 T141 E187 T221 V222R127-I140 WeakPolarHBondContact CA-O 3.44Å; R127-T141 HydrophobicContact CG-CG2 3.77Å; R127-E187 IonicContact CZ-OE2 2.99Å; R127-E187 IonicContact NH1-OE2 3.53Å; R127-E187 PolarHBondContact NH1-OE2 2.9Å; R127-E187 IonicContact NH2-OE2 2.89Å; R127-E187 PolarHBondContact NH2-OE2 3.17Å; R127-E187 VanDerWaalsContact NH2-OE2 3.14Å; R127-T221 WeakPolarHBondContact O-CA 3.48Å; R127-V222 PolarHBondContact N-O 3.23Å; R127-V222 PolarHBondContact O-N 3.17Å
128K79.4Confident74.7Confident111 Ų11164.2 Ų64.248%0.48334%0.339SS..EExtended strand (participates in β ladder)trans-117.9131.7177.3-65.3-173.2178.2-179.70110.8T126 I139 I140 T221T126-K128 HydrophobicContact CG2-CG 4.09Å; K128-I139 WeakPolarHBondContact O-CA 3.49Å; K128-I140 PolarHBondContact N-O 3.1Å; K128-I140 PolarHBondContact O-N 3.5Å; K128-T221 HydrophobicContact CG-CG2 3.98Å
129L73.4Confident74.2Confident47 Ų4766.3 Ų66.325%0.24635%0.351CS..EExtended strand (participates in β ladder)trans-87.4110.3170.9-172.769.6000110A137 I139 N220L129-A137 HydrophobicContact CD1-CB 3.81Å; L129-A137 HydrophobicContact CG-CB 4.29Å; L129-I139 HydrophobicContact CD1-CG1 3.96Å; L129-N220 PolarHBondContact N-O 2.74Å
130S64.2Low73.5Confident32 Ų3268 Ų6822%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-89118.3173.8177.50000110.6A137 V138S130-A137 WeakPolarHBondContact O-CA 3.38Å; S130-V138 PolarHBondContact N-O 3.25Å; S130-V138 PolarHBondContact O-N 3.44Å
131K57.5Low73.1Confident107 Ų10765.5 Ų65.547%0.46535%0.345SS..  trans-93.9-3.9172.1-64.7-171-172.7-1790113.7N218K131-N218 HydrophobicContact CD-CB 4.1Å; K131-N218 PolarHBondContact NZ-OD1 2.94Å
132Y54Low72.8Confident185 Ų18568.7 Ų68.773%0.72536%0.36SS*.SBendtrans-93.5-7.4-170.3-66.6-75000114.8
133S51.1Low72.6Confident52 Ų5263.8 Ų63.836%0.36434%0.337SS..SBendtrans-99.393.8173.943.20000109.4
134N46.3Very low72.5Confident152 Ų15264.2 Ų64.281%0.81334%0.34SS*.SBendtrans31.7135.3155.3-140.51.8000118.3V136N134-V136 PolarHBondContact O-N 3.31Å
135P51.6Low72.5Confident131 Ų13163.5 Ų63.585%0.85133%0.334SS*.SBend-39.43.4-125.931.4-40.3000121.1
136V57.8Low72.7Confident106 Ų10665.8 Ų65.864%0.64235%0.348SS*.SBendtrans-114118.3-178.4-176.20000108.5N134 V138N134-V136 PolarHBondContact O-N 3.31Å; V136-V138 PolarHBondContact O-N 3.05Å
137A60.9Low72.9Confident55 Ų5565.3 Ų65.346%0.45535%0.345SS..  trans-59132.217400000110.3L129 S130L129-A137 HydrophobicContact CD1-CB 3.81Å; L129-A137 HydrophobicContact CG-CB 4.29Å; S130-A137 WeakPolarHBondContact O-CA 3.38Å
138V67.4Low73.2Confident30 Ų3070.3 Ų70.318%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-109134.8-177.2167.70000109.6S130 V136 I140 P181S130-V138 PolarHBondContact N-O 3.25Å; S130-V138 PolarHBondContact O-N 3.44Å; V136-V138 PolarHBondContact O-N 3.05Å; V138-I140 HydrophobicContact CG1-CG1 4.19Å; V138-P181 HydrophobicContact CG1-CB 3.79Å; V138-P181 HydrophobicContact CG1-CG 3.61Å; V138-P181 HydrophobicContact CG2-CG 4.37Å
139I71.3Confident73.8Confident93 Ų9365.4 Ų65.448%0.47735%0.348SS..EExtended strand (participates in β ladder)trans-92.4122.9171.9-59.1172.9000108.2K128 L129K128-I139 WeakPolarHBondContact O-CA 3.49Å; L129-I139 HydrophobicContact CD1-CG1 3.96Å
140I74.4Confident74.6Confident67 Ų6769.4 Ų69.434%0.34437%0.365SS..EExtended strand (participates in β ladder)trans-106.3130.3170.9-60174.4000107.1R127 K128 V138 T178R127-I140 WeakPolarHBondContact CA-O 3.44Å; K128-I140 PolarHBondContact N-O 3.1Å; K128-I140 PolarHBondContact O-N 3.5Å; V138-I140 HydrophobicContact CG1-CG1 4.19Å; I140-T178 HydrophobicContact CG2-CG2 3.8Å
141T83.8Confident75.8Confident5 Ų571.7 Ų71.73%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-113.6133.4172.5-46.40000109.9T126 R127 F179 E187T126-T141 CarbonylContact O-C 3.5Å; T126-T141 VanDerWaalsContact O-CA 3.28Å; T126-T141 WeakPolarHBondContact O-CA 3.5Å; R127-T141 HydrophobicContact CG-CG2 3.77Å; T141-F179 PolarHBondContact N-O 3.16Å; T141-F179 PolarHBondContact O-N 3.39Å; T141-E187 HydrophobicContact CG2-CB 4.5Å; T141-E187 HydrophobicContact CG2-CG 3.61Å
142Q88.2Confident77.5Confident66 Ų6666.7 Ų66.731%0.30836%0.36SS..EExtended strand (participates in β ladder)trans-121124.3176.1-173.5178-13.500109.5S125 T126 T144 S176 F177S125-Q142 CarbonylContact C-O 3.49Å; S125-Q142 WeakPolarHBondContact CA-O 3.39Å; T126-Q142 PolarHBondContact N-O 2.86Å; T126-Q142 PolarHBondContact O-N 3.35Å; Q142-T144 PolarHBondContact NE2-OG1 3.04Å; Q142-S176 PolarHBondContact NE2-OG 3.34Å; Q142-F177 CarbonylContact C-O 3.58Å; Q142-F177 VanDerWaalsContact CA-O 3.29Å; Q142-F177 WeakPolarHBondContact CA-O 3.24Å
143L91.3Very high79.1Confident0 Ų058.7 Ų58.70%033%0.329CS..EExtended strand (participates in β ladder)trans-98.1124.1168.5-78.7172.8000109.2L123 S124 S176 F177 F179 E187 L190 R191L123-L143 HydrophobicContact CD1-CD2 4.39Å; S124-L143 CarbonylContact O-C 3.59Å; S124-L143 VanDerWaalsContact O-CA 3.26Å; S124-L143 WeakPolarHBondContact O-CA 3.28Å; L143-S176 CarbonylContact O-C 3.55Å; L143-S176 VanDerWaalsContact O-CA 3.31Å; L143-S176 WeakPolarHBondContact O-CA 3.28Å; L143-F177 HydrophobicContact CB-CB 4.32Å; L143-F177 PolarHBondContact N-O 3.35Å; L143-F177 PolarHBondContact O-N 3.39Å; L143-F179 HydrophobicContact CB-CE2 4.4Å; L143-F179 HydrophobicContact CD1-CE2 3.91Å; L143-F179 HydrophobicContact CD1-CZ 4.44Å; L143-F179 HydrophobicContact CG-CE2 4.25Å; L143-E187 HydrophobicContact CD1-CG 3.8Å; L143-E187 WeakPolarHBondContact CD1-O 3.18Å; L143-E187 HydrophobicContact CD2-CG 4.42Å; L143-E187 HydrophobicContact CG-CG 3.87Å; L143-L190 HydrophobicContact CD1-CB 4.13Å; L143-L190 HydrophobicContact CD1-CD2 4.04Å; L143-L190 HydrophobicContact CD1-CG 4.09Å; L143-R191 HydrophobicContact CD1-CB 3.96Å; L143-R191 HydrophobicContact CD2-CB 4.13Å; L143-R191 HydrophobicContact CD2-CG 4.19Å
144T92.5Very high80.9Confident10 Ų1062.4 Ų62.46%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-125.2129-177.6-52.30000110.4L123 S124 Q142 Q174 S176L123-T144 CarbonylContact C-O 3.4Å; L123-T144 VanDerWaalsContact CA-O 3.32Å; L123-T144 WeakPolarHBondContact CA-O 2.86Å; S124-T144 PolarHBondContact N-O 3.26Å; S124-T144 PolarHBondContact O-N 2.86Å; S124-T144 WeakPolarHBondContact OG-CB 3.37Å; Q142-T144 PolarHBondContact NE2-OG1 3.04Å; T144-Q174 HydrophobicContact CG2-CG 3.63Å; T144-S176 WeakPolarHBondContact CG2-OG 3.3Å; T144-S176 PolarHBondContact OG1-OG 2.96Å
145I94.7Very high82.9Confident0 Ų055.5 Ų55.50%031%0.306CS..EExtended strand (participates in β ladder)trans-109.8125.6174.4-56.3156.5000107.4V121 E122 L123 I156 Q174 V175 F177 L194V121-I145 HydrophobicContact CG1-CG2 3.95Å; E122-I145 CarbonylContact O-C 3.55Å; E122-I145 VanDerWaalsContact O-CA 3.26Å; E122-I145 WeakPolarHBondContact O-CA 3.4Å; L123-I145 HydrophobicContact CD1-CG1 3.66Å; I145-I156 HydrophobicContact CD1-CD1 3.81Å; I145-I156 HydrophobicContact CD1-CG2 4.07Å; I145-I156 HydrophobicContact CG2-CD1 4.06Å; I145-Q174 CarbonylContact O-C 3.51Å; I145-Q174 VanDerWaalsContact O-CA 3.23Å; I145-Q174 WeakPolarHBondContact O-CA 3.35Å; I145-Q174 WeakPolarHBondContact O-CG 3.44Å; I145-V175 PolarHBondContact N-O 3.14Å; I145-V175 PolarHBondContact O-N 3.06Å; I145-F177 HydrophobicContact CD1-CE2 4.03Å; I145-L194 HydrophobicContact CD1-CD1 3.72Å; I145-L194 HydrophobicContact CD1-CD2 3.48Å; I145-L194 VanDerWaalsContact CD1-CD2 3.48Å; I145-L194 HydrophobicContact CD1-CG 4.16Å; I145-L194 HydrophobicContact CG1-CD1 4.3Å
146T94.4Very high84.7Confident48 Ų4849.3 Ų49.329%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-122.1122.4176.9-52.30000109.1E122 C173 Q174E122-T146 PolarHBondContact N-O 3.17Å; E122-T146 PolarHBondContact O-N 3.46Å; T146-C173 CarbonylContact C-O 3.54Å; T146-C173 WeakPolarHBondContact CA-O 3.28Å; T146-Q174 PolarHBondContact OG1-NE2 3.47Å
147T93.1Very high85.9Confident4 Ų445.6 Ų45.63%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-158.9152.4177.2-174.80000111.9V120 V149 L152 L153 C173V120-T147 PolarHBondContact O-OG1 3.1Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact OG1-N 3.24Å; T147-V149 VanDerWaalsContact OG1-N 3.14Å; T147-L152 HydrophobicContact CG2-CD2 3.97Å; T147-L153 HydrophobicContact CG2-CD1 4.14Å; T147-L153 HydrophobicContact CG2-CD2 3.74Å; T147-L153 HydrophobicContact CG2-CG 3.62Å; T147-C173 PolarHBondContact N-O 2.65Å; T147-C173 CarbonylContact O-C 3.46Å; T147-C173 WeakPolarHBondContact O-CA 2.97Å; T147-C173 WeakPolarHBondContact O-CB 3.49Å; T147-C173 VanDerWaalsContact O-O 3.06Å
148K90.6Very high87Confident176 Ų17648.1 Ų48.177%0.76525%0.251SS*.SBendtrans-89.6-1.7170.7-63.6-175.9178.4-179.80113.1H150K148-H150 PolarHBondContact O-N 3.4Å; K148-H150 VanDerWaalsContact O-N 3.13Å
149V91.5Very high87.8Confident7 Ų752.6 Ų52.64%0.04227%0.269CS..  trans-82.394-178.4-174.40000109.2E119 T147 S151 L152 L153 F203E119-V149 HydrophobicContact CB-CG2 3.73Å; E119-V149 HydrophobicContact CG-CG2 3.76Å; E119-V149 WeakPolarHBondContact OE1-CG2 3.39Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact OG1-N 3.24Å; T147-V149 VanDerWaalsContact OG1-N 3.14Å; V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 2.95Å; V149-L152 HydrophobicContact CB-CB 4Å; V149-L152 HydrophobicContact CG1-CB 3.83Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.4Å; V149-L153 PolarHBondContact O-N 2.95Å; V149-F203 HydrophobicContact CG2-CZ 4.05Å
150H88.8Confident88.3Confident131 Ų13148.8 Ų48.861%0.60625%0.249SC*.Hα-helixtrans-56.3-43.3-175-72.2-72.6000113.2K148 L152 L153 E154K148-H150 PolarHBondContact O-N 3.4Å; K148-H150 VanDerWaalsContact O-N 3.13Å; H150-L152 VanDerWaalsContact C-N 3.25Å; H150-L152 PolarHBondContact O-N 3.14Å; H150-L153 PolarHBondContact O-N 3.17Å; H150-L153 VanDerWaalsContact O-N 3.15Å; H150-E154 PolarHBondContact O-N 3.39Å
151S90.6Very high88Confident80 Ų8049.8 Ų49.856%0.55926%0.259SS*.Hα-helixtrans-62-31.7177.956.60000113.2V149 G155V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 2.95Å; S151-G155 PolarHBondContact O-N 2.69Å
152L92.3Very high87.4Confident2 Ų258 Ų581%0.0129%0.294CS..Hα-helixtrans-69.6-45.6174.9-175.972.4000110.8V121 T147 V149 H150 G155 I156 Y197 Q201 F203V121-L152 HydrophobicContact CB-CD2 4.33Å; V121-L152 HydrophobicContact CG1-CD2 4.02Å; V121-L152 HydrophobicContact CG2-CD2 3.32Å; T147-L152 HydrophobicContact CG2-CD2 3.97Å; V149-L152 HydrophobicContact CB-CB 4Å; V149-L152 HydrophobicContact CG1-CB 3.83Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.4Å; H150-L152 VanDerWaalsContact C-N 3.25Å; H150-L152 PolarHBondContact O-N 3.14Å; L152-G155 PolarHBondContact O-N 3.02Å; L152-I156 HydrophobicContact CG-CD1 4Å; L152-I156 WeakPolarHBondContact O-CD1 3.14Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.04Å; L152-Y197 HydrophobicContact CD1-CD1 4.09Å; L152-Y197 HydrophobicContact CD1-CE1 3.69Å; L152-Q201 HydrophobicContact CD1-CB 4.13Å; L152-Q201 HydrophobicContact CD1-CG 3.68Å; L152-F203 HydrophobicContact CD2-CE2 4.27Å
153L89.4Confident86.5Confident17 Ų1756.4 Ų56.49%0.08929%0.285CS..Hα-helixtrans-61.6-48.7178.4-71.7169.1000111.6T147 V149 H150 G155 I156 S157 V175T147-L153 HydrophobicContact CG2-CD1 4.14Å; T147-L153 HydrophobicContact CG2-CD2 3.74Å; T147-L153 HydrophobicContact CG2-CG 3.62Å; V149-L153 PolarHBondContact O-N 2.95Å; H150-L153 PolarHBondContact O-N 3.17Å; H150-L153 VanDerWaalsContact O-N 3.15Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 3.35Å; L153-I156 PolarHBondContact O-N 3.5Å; L153-I156 VanDerWaalsContact O-N 3.14Å; L153-S157 PolarHBondContact O-N 3.34Å; L153-S157 PolarHBondContact O-OG 3.29Å; L153-V175 HydrophobicContact CD2-CB 4.47Å; L153-V175 HydrophobicContact CD2-CG2 3.59Å
154E87.2Confident85.1Confident130 Ų13058 Ų5861%0.60729%0.294SS*.Hα-helixtrans-58.4-44.1175.7-72.7-176.117200111.3H150 I156 S157 N158H150-E154 PolarHBondContact O-N 3.39Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 2.91Å; E154-S157 PolarHBondContact O-N 2.95Å; E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 VanDerWaalsContact O-CG 3.22Å; E154-N158 PolarHBondContact O-N 3.09Å; E154-N158 PolarHBondContact O-ND2 2.89Å; E154-N158 VanDerWaalsContact O-ND2 3.14Å
155G89.3Confident83.5Confident8 Ų866 Ų668%0.08233%0.328CS..Hα-helixtrans-61.2-38.9176.200000113.2S151 L152 L153 H159 Y197S151-G155 PolarHBondContact O-N 2.69Å; L152-G155 PolarHBondContact O-N 3.02Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 3.35Å; G155-H159 VanDerWaalsContact O-CB 3.27Å; G155-H159 WeakPolarHBondContact O-CB 3.06Å; G155-H159 VanDerWaalsContact O-CG 3.24Å; G155-H159 PolarHBondContact O-N 3.27Å; G155-H159 PolarHBondContact O-ND1 2.69Å; G155-Y197 VanDerWaalsContact CA-OH 3.32Å; G155-Y197 WeakPolarHBondContact CA-OH 3.41Å
156I88.8Confident81.9Confident0 Ų074.1 Ų74.10%037%0.365CS..Hα-helixtrans-65.2-50.3174.2-69.1157.6000110I145 L152 L153 E154 N158 H159 F160 V175 F177 L194 Y197I145-I156 HydrophobicContact CD1-CD1 3.81Å; I145-I156 HydrophobicContact CD1-CG2 4.07Å; I145-I156 HydrophobicContact CG2-CD1 4.06Å; L152-I156 HydrophobicContact CG-CD1 4Å; L152-I156 WeakPolarHBondContact O-CD1 3.14Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.04Å; L153-I156 PolarHBondContact O-N 3.5Å; L153-I156 VanDerWaalsContact O-N 3.14Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 2.91Å; I156-N158 PolarHBondContact O-N 3Å; I156-H159 PolarHBondContact O-N 3.32Å; I156-F160 HydrophobicContact CB-CD2 4.45Å; I156-F160 HydrophobicContact CG2-CD2 4.15Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 PolarHBondContact O-N 3.16Å; I156-V175 HydrophobicContact CG2-CG1 4.22Å; I156-F177 HydrophobicContact CG2-CE2 4.41Å; I156-F177 HydrophobicContact CG2-CZ 4.13Å; I156-L194 HydrophobicContact CG1-CD2 4.46Å; I156-L194 HydrophobicContact CG2-CD2 4.15Å; I156-Y197 HydrophobicContact CG1-CD1 3.98Å; I156-Y197 HydrophobicContact CG1-CE1 3.85Å
157S83.6Confident80.8Confident28 Ų2874 Ų7420%0.19636%0.362CS..Hα-helixtrans-59-35.4-179.5-64.60000112.7L153 E154 N164L153-S157 PolarHBondContact O-N 3.34Å; L153-S157 PolarHBondContact O-OG 3.29Å; E154-S157 PolarHBondContact O-N 2.95Å; S157-N164 PolarHBondContact O-ND2 3.44Å
158N83.4Confident80.2Confident109 Ų10975.9 Ų75.958%0.58337%0.371SS*.Hα-helixtrans-81.8-40.5-179.3-69-29000113.6E154 I156 T161E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 VanDerWaalsContact O-CG 3.22Å; E154-N158 PolarHBondContact O-N 3.09Å; E154-N158 PolarHBondContact O-ND2 2.89Å; E154-N158 VanDerWaalsContact O-ND2 3.14Å; I156-N158 PolarHBondContact O-N 3Å; N158-T161 VanDerWaalsContact O-CG2 3.23Å; N158-T161 WeakPolarHBondContact O-CG2 3.43Å
159H84Confident79.8Confident124 Ų12470.8 Ų70.857%0.57435%0.352SS*.Hα-helixtrans-85-24.4-175-63.6137.6000113.8G155 I156 Y197G155-H159 VanDerWaalsContact O-CB 3.27Å; G155-H159 WeakPolarHBondContact O-CB 3.06Å; G155-H159 VanDerWaalsContact O-CG 3.24Å; G155-H159 PolarHBondContact O-N 3.27Å; G155-H159 PolarHBondContact O-ND1 2.69Å; I156-H159 PolarHBondContact O-N 3.32Å; H159-Y197 AromaticContact ND1-CE2 3.46Å; H159-Y197 WeakPolarHBondContact ND1-CE2 3.31Å; H159-Y197 AromaticContact ND1-CZ 3.66Å; H159-Y197 PolarHBondContact ND1-OH 3.25Å
160F82.1Confident79.4Confident13 Ų1374.1 Ų74.16%0.05737%0.373CS..THydrogen-bonded Turntrans-99.425.7-176.2-67.3-99.3000113I156 K162 W163 N164 F177 L190 H193 L194 Y197I156-F160 HydrophobicContact CB-CD2 4.45Å; I156-F160 HydrophobicContact CG2-CD2 4.15Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 PolarHBondContact O-N 3.16Å; F160-K162 PolarHBondContact O-N 3.45Å; F160-K162 VanDerWaalsContact O-N 3.1Å; F160-W163 HydrophobicContact CB-CE3 3.96Å; F160-W163 HydrophobicContact CB-CZ3 4.44Å; F160-W163 AromaticContact CD1-CE3 3.77Å; F160-W163 HydrophobicContact CD1-CE3 3.77Å; F160-W163 HydrophobicContact CD1-CH2 4.48Å; F160-W163 AromaticContact CD1-CZ3 3.67Å; F160-W163 HydrophobicContact CD1-CZ3 3.67Å; F160-W163 HydrophobicContact CE1-CZ3 4.38Å; F160-W163 HydrophobicContact CG-CE3 4.32Å; F160-W163 HydrophobicContact CG-CZ3 4.4Å; F160-W163 PolarHBondContact O-N 3.07Å; F160-N164 PolarHBondContact O-OD1 3.32Å; F160-F177 HydrophobicContact CB-CZ 4.48Å; F160-L190 HydrophobicContact CD1-CD1 3.35Å; F160-L190 HydrophobicContact CE1-CD1 3.75Å; F160-L190 HydrophobicContact CG-CD1 4.38Å; F160-H193 HydrophobicContact CE1-CB 3.7Å; F160-H193 HydrophobicContact CZ-CB 4.24Å; F160-L194 HydrophobicContact CD1-CD2 4.19Å; F160-L194 HydrophobicContact CD2-CD2 4.38Å; F160-L194 HydrophobicContact CE1-CD2 3.84Å; F160-L194 HydrophobicContact CE1-CG 4.12Å; F160-L194 HydrophobicContact CE2-CD2 4.07Å; F160-L194 HydrophobicContact CG-CD2 4.43Å; F160-L194 HydrophobicContact CZ-CD2 3.78Å; F160-L194 HydrophobicContact CZ-CG 4.37Å; F160-Y197 HydrophobicContact CE2-CD1 4.22Å; F160-Y197 HydrophobicContact CE2-CD2 4.31Å; F160-Y197 AromaticContact CE2-CG 3.97Å; F160-Y197 HydrophobicContact CE2-CG 3.97Å; F160-Y197 HydrophobicContact CZ-CG 4.29Å
161T68.1Low79.1Confident88 Ų8875.6 Ų75.654%0.5437%0.373SS..G310 helixtrans-57.5-26.6-178.949.50000115.1N158 W163 N164N158-T161 VanDerWaalsContact O-CG2 3.23Å; N158-T161 WeakPolarHBondContact O-CG2 3.43Å; T161-W163 PolarHBondContact O-N 3.43Å; T161-W163 VanDerWaalsContact O-N 3.16Å; T161-N164 WeakPolarHBondContact CA-ND2 3.35Å; T161-N164 WeakPolarHBondContact O-CB 3.4Å; T161-N164 PolarHBondContact O-N 2.86Å
162K71.6Confident78.6Confident177 Ų17779.4 Ų79.477%0.7739%0.387SS*.G310 helixtrans-55.9-28.4171-177.9179.4177-177.10112.8F160F160-K162 PolarHBondContact O-N 3.45Å; F160-K162 VanDerWaalsContact O-N 3.1Å
163W70Confident78.3Confident32 Ų3281.2 Ų81.212%0.12140%0.399CS..G310 helixtrans-102.5-2.5178.6-61.3-91.5000113.2F160 T161 M167 F177 L190F160-W163 HydrophobicContact CB-CE3 3.96Å; F160-W163 HydrophobicContact CB-CZ3 4.44Å; F160-W163 AromaticContact CD1-CE3 3.77Å; F160-W163 HydrophobicContact CD1-CE3 3.77Å; F160-W163 HydrophobicContact CD1-CH2 4.48Å; F160-W163 AromaticContact CD1-CZ3 3.67Å; F160-W163 HydrophobicContact CD1-CZ3 3.67Å; F160-W163 HydrophobicContact CE1-CZ3 4.38Å; F160-W163 HydrophobicContact CG-CE3 4.32Å; F160-W163 HydrophobicContact CG-CZ3 4.4Å; F160-W163 PolarHBondContact O-N 3.07Å; T161-W163 PolarHBondContact O-N 3.43Å; T161-W163 VanDerWaalsContact O-N 3.16Å; W163-M167 HydrophobicContact CB-CE 4.19Å; W163-M167 WeakPolarHBondContact O-CE 3.5Å; W163-F177 HydrophobicContact CB-CD1 4.27Å; W163-F177 HydrophobicContact CB-CE1 4.23Å; W163-L190 HydrophobicContact CD2-CD1 3.92Å; W163-L190 HydrophobicContact CE3-CD1 4.14Å; W163-L190 HydrophobicContact CG-CD1 4.2Å; W163-L190 HydrophobicContact CG-CD2 4.47Å
164N62.3Low78.4Confident35 Ų3582.9 Ų82.919%0.18741%0.407CS..Hα-helixtrans-78.5-27.8-169-80.7-0.5000115.8S157 F160 T161 H166 M168S157-N164 PolarHBondContact O-ND2 3.44Å; F160-N164 PolarHBondContact O-OD1 3.32Å; T161-N164 WeakPolarHBondContact CA-ND2 3.35Å; T161-N164 WeakPolarHBondContact O-CB 3.4Å; T161-N164 PolarHBondContact O-N 2.86Å; N164-H166 VanDerWaalsContact C-N 3.27Å; N164-H166 PolarHBondContact O-N 3.41Å; N164-M168 HydrophobicContact CB-CE 4.24Å; N164-M168 WeakPolarHBondContact ND2-CE 3.36Å; N164-M168 WeakPolarHBondContact OD1-CE 3.28Å; N164-M168 PolarHBondContact OD1-SD 3.17Å
165K57.2Low78.6Confident177 Ų17776.8 Ų76.877%0.7738%0.378SS*.Hα-helixtrans-62.1-30.4-156.7-160176.6176.11780114.7
166H62.5Low78.6Confident170 Ų17076.6 Ų76.679%0.78738%0.376SS*.Hα-helixtrans-145-0.3179.1-62.1-65.1000115.1N164N164-H166 VanDerWaalsContact C-N 3.27Å; N164-H166 PolarHBondContact O-N 3.41Å
167M69.8Low78.7Confident45 Ų4576.6 Ų76.622%0.22238%0.376CS..Hα-helixtrans-112.3-17-170.8-61.4-177.2-63.900113.5W163 F177 T178 F179W163-M167 HydrophobicContact CB-CE 4.19Å; W163-M167 WeakPolarHBondContact O-CE 3.5Å; M167-F177 CarbonylContact O-C 3.51Å; M167-F177 VanDerWaalsContact O-CA 3.24Å; M167-F177 WeakPolarHBondContact O-CA 3.41Å; M167-T178 WeakPolarHBondContact CB-O 3.37Å; M167-T178 WeakPolarHBondContact CG-O 3.41Å; M167-T178 PolarHBondContact O-N 3.45Å; M167-F179 HydrophobicContact CE-CE1 4.43Å; M167-F179 HydrophobicContact SD-CD1 4.12Å; M167-F179 HydrophobicContact SD-CE1 4.23Å
168M81.1Confident78.9Confident44 Ų4478.3 Ų78.322%0.21739%0.385CS..EExtended strand (participates in β ladder)trans-95.9122.3-175.5-168.5178.567.600111.6N164 T170 V175 S176 F177N164-M168 HydrophobicContact CB-CE 4.24Å; N164-M168 WeakPolarHBondContact ND2-CE 3.36Å; N164-M168 WeakPolarHBondContact OD1-CE 3.28Å; N164-M168 PolarHBondContact OD1-SD 3.17Å; M168-T170 HydrophobicContact CE-CG2 3.79Å; M168-T170 HydrophobicContact CG-CG2 4.19Å; M168-T170 HydrophobicContact SD-CG2 4.13Å; M168-V175 HydrophobicContact CG-CG1 3.62Å; M168-V175 HydrophobicContact SD-CG1 3.55Å; M168-V175 VanDerWaalsContact SD-CG1 3.55Å; M168-S176 CarbonylContact C-O 3.55Å; M168-S176 VanDerWaalsContact CA-O 3.23Å; M168-S176 WeakPolarHBondContact CA-O 3.23Å; M168-F177 HydrophobicContact CB-CD1 4.03Å; M168-F177 HydrophobicContact CB-CE1 3.89Å; M168-F177 HydrophobicContact CG-CD1 4.16Å; M168-F177 HydrophobicContact CG-CE1 3.73Å; M168-F177 HydrophobicContact CG-CZ 4.07Å; M168-F177 HydrophobicContact SD-CE1 3.79Å; M168-F177 HydrophobicContact SD-CZ 3.82Å
169D82.3Confident78.9Confident69 Ų6973.1 Ų73.137%0.36936%0.357SS..EExtended strand (participates in β ladder)trans-108.9127.9167.7-175.227.2000108.7R171 S176D169-R171 IonicContact OD2-CZ 3.41Å; D169-R171 IonicContact OD2-NE 2.95Å; D169-R171 PolarHBondContact OD2-NE 3Å; D169-R171 IonicContact OD2-NH2 2.98Å; D169-R171 PolarHBondContact OD2-NH2 3.28Å; D169-S176 PolarHBondContact N-O 2.97Å; D169-S176 PolarHBondContact O-N 3.19Å
170T82.4Confident78.3Confident78 Ų7868.7 Ų68.748%0.47935%0.345SS..EExtended strand (participates in β ladder)trans-115.2128.318052.70000109.9M168 Q174 V175M168-T170 HydrophobicContact CE-CG2 3.79Å; M168-T170 HydrophobicContact CG-CG2 4.19Å; M168-T170 HydrophobicContact SD-CG2 4.13Å; T170-Q174 WeakPolarHBondContact CA-O 3.31Å; T170-V175 HydrophobicContact CG2-CG2 4.11Å
171R82.6Confident77.5Confident162 Ų16271.6 Ų71.661%0.61137%0.365SS*.EExtended strand (participates in β ladder)trans-130.5174.3176-59.2-178.4-171.1-171.41.7109.2D169 C173 Q174D169-R171 IonicContact OD2-CZ 3.41Å; D169-R171 IonicContact OD2-NE 2.95Å; D169-R171 PolarHBondContact OD2-NE 3Å; D169-R171 IonicContact OD2-NH2 2.98Å; D169-R171 PolarHBondContact OD2-NH2 3.28Å; R171-C173 PolarHBondContact O-N 2.78Å; R171-C173 VanDerWaalsContact O-N 3.09Å; R171-Q174 HydrophobicContact CB-CB 4.44Å; R171-Q174 PolarHBondContact N-O 2.76Å; R171-Q174 PolarHBondContact O-N 3.25Å; R171-Q174 VanDerWaalsContact O-O 3.06Å
172D80.8Confident77.2Confident159 Ų15973.2 Ų73.285%0.8538%0.379SS*.THydrogen-bonded Turntrans-52.7122.2172.1-67.9-25.8000110.1Q174D172-Q174 PolarHBondContact O-N 3.08Å; D172-Q174 VanDerWaalsContact O-N 3.14Å
173C86.4Confident77.1Confident40 Ų4067.2 Ų67.227%0.2736%0.355SS..THydrogen-bonded Turntrans62.612.3179.6-58.20000115.9T146 T147 R171T146-C173 CarbonylContact C-O 3.54Å; T146-C173 WeakPolarHBondContact CA-O 3.28Å; T147-C173 PolarHBondContact N-O 2.65Å; T147-C173 CarbonylContact O-C 3.46Å; T147-C173 WeakPolarHBondContact O-CA 2.97Å; T147-C173 WeakPolarHBondContact O-CB 3.49Å; T147-C173 VanDerWaalsContact O-O 3.06Å; R171-C173 PolarHBondContact O-N 2.78Å; R171-C173 VanDerWaalsContact O-N 3.09Å
174Q90.9Very high77.2Confident53 Ų5371.9 Ų71.925%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-144.8138.8-172.9-175.9173.574.700114.2T144 I145 T146 T170 R171 D172T144-Q174 HydrophobicContact CG2-CG 3.63Å; I145-Q174 CarbonylContact O-C 3.51Å; I145-Q174 VanDerWaalsContact O-CA 3.23Å; I145-Q174 WeakPolarHBondContact O-CA 3.35Å; I145-Q174 WeakPolarHBondContact O-CG 3.44Å; T146-Q174 PolarHBondContact OG1-NE2 3.47Å; T170-Q174 WeakPolarHBondContact CA-O 3.31Å; R171-Q174 HydrophobicContact CB-CB 4.44Å; R171-Q174 PolarHBondContact N-O 2.76Å; R171-Q174 PolarHBondContact O-N 3.25Å; R171-Q174 VanDerWaalsContact O-O 3.06Å; D172-Q174 PolarHBondContact O-N 3.08Å; D172-Q174 VanDerWaalsContact O-N 3.14Å
175V91.2Very high78.1Confident2 Ų276 Ų761%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-126.1123.4169.7177.40000108.5I145 L153 I156 M168 T170 F177I145-V175 PolarHBondContact N-O 3.14Å; I145-V175 PolarHBondContact O-N 3.06Å; L153-V175 HydrophobicContact CD2-CB 4.47Å; L153-V175 HydrophobicContact CD2-CG2 3.59Å; I156-V175 HydrophobicContact CG2-CG1 4.22Å; M168-V175 HydrophobicContact CG-CG1 3.62Å; M168-V175 HydrophobicContact SD-CG1 3.55Å; M168-V175 VanDerWaalsContact SD-CG1 3.55Å; T170-V175 HydrophobicContact CG2-CG2 4.11Å; V175-F177 HydrophobicContact CG1-CD2 4.27Å; V175-F177 HydrophobicContact CG1-CE2 3.49Å; V175-F177 VanDerWaalsContact CG1-CE2 3.49Å; V175-F177 HydrophobicContact CG1-CZ 3.64Å
176S90.5Very high79.3Confident4 Ų471.3 Ų71.33%0.02837%0.372CS..EExtended strand (participates in β ladder)trans-116.8140.3177.6-64.30000111.5Q142 L143 T144 M168 D169Q142-S176 PolarHBondContact NE2-OG 3.34Å; L143-S176 CarbonylContact O-C 3.55Å; L143-S176 VanDerWaalsContact O-CA 3.31Å; L143-S176 WeakPolarHBondContact O-CA 3.28Å; T144-S176 WeakPolarHBondContact CG2-OG 3.3Å; T144-S176 PolarHBondContact OG1-OG 2.96Å; M168-S176 CarbonylContact C-O 3.55Å; M168-S176 VanDerWaalsContact CA-O 3.23Å; M168-S176 WeakPolarHBondContact CA-O 3.23Å; D169-S176 PolarHBondContact N-O 2.97Å; D169-S176 PolarHBondContact O-N 3.19Å
177F90.2Very high80.4Confident0 Ų063.2 Ų63.20%034%0.335CS..EExtended strand (participates in β ladder)trans-118.4121.3173.3-58-92.1000109.8Q142 L143 I145 I156 F160 W163 M167 M168 V175 F179 L190 L194Q142-F177 CarbonylContact C-O 3.58Å; Q142-F177 VanDerWaalsContact CA-O 3.29Å; Q142-F177 WeakPolarHBondContact CA-O 3.24Å; L143-F177 HydrophobicContact CB-CB 4.32Å; L143-F177 PolarHBondContact N-O 3.35Å; L143-F177 PolarHBondContact O-N 3.39Å; I145-F177 HydrophobicContact CD1-CE2 4.03Å; I156-F177 HydrophobicContact CG2-CE2 4.41Å; I156-F177 HydrophobicContact CG2-CZ 4.13Å; F160-F177 HydrophobicContact CB-CZ 4.48Å; W163-F177 HydrophobicContact CB-CD1 4.27Å; W163-F177 HydrophobicContact CB-CE1 4.23Å; M167-F177 CarbonylContact O-C 3.51Å; M167-F177 VanDerWaalsContact O-CA 3.24Å; M167-F177 WeakPolarHBondContact O-CA 3.41Å; M168-F177 HydrophobicContact CB-CD1 4.03Å; M168-F177 HydrophobicContact CB-CE1 3.89Å; M168-F177 HydrophobicContact CG-CD1 4.16Å; M168-F177 HydrophobicContact CG-CE1 3.73Å; M168-F177 HydrophobicContact CG-CZ 4.07Å; M168-F177 HydrophobicContact SD-CE1 3.79Å; M168-F177 HydrophobicContact SD-CZ 3.82Å; V175-F177 HydrophobicContact CG1-CD2 4.27Å; V175-F177 HydrophobicContact CG1-CE2 3.49Å; V175-F177 VanDerWaalsContact CG1-CE2 3.49Å; V175-F177 HydrophobicContact CG1-CZ 3.64Å; F177-F179 HydrophobicContact CB-CE2 3.74Å; F177-F179 HydrophobicContact CB-CZ 4.08Å; F177-L190 HydrophobicContact CB-CD2 3.78Å; F177-L190 HydrophobicContact CD1-CD2 3.66Å; F177-L190 HydrophobicContact CD2-CD2 3.69Å; F177-L190 HydrophobicContact CE1-CD2 4.12Å; F177-L190 HydrophobicContact CE2-CD2 4.14Å; F177-L190 HydrophobicContact CG-CD2 3.42Å; F177-L190 VanDerWaalsContact CG-CD2 3.42Å; F177-L190 HydrophobicContact CZ-CD2 4.34Å; F177-L194 HydrophobicContact CE2-CD1 4.33Å
178T87.2Confident81.2Confident63 Ų6363.6 Ų63.639%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-105.8127.1178.9-54.70000111.1I140 M167I140-T178 HydrophobicContact CG2-CG2 3.8Å; M167-T178 WeakPolarHBondContact CB-O 3.37Å; M167-T178 WeakPolarHBondContact CG-O 3.41Å; M167-T178 PolarHBondContact O-N 3.45Å
179F82.9Confident81.6Confident1 Ų163.9 Ų63.90%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-112.2129.4179-59.5-87.1000110T141 L143 M167 F177 D183 Q186 E187 L190T141-F179 PolarHBondContact N-O 3.16Å; T141-F179 PolarHBondContact O-N 3.39Å; L143-F179 HydrophobicContact CB-CE2 4.4Å; L143-F179 HydrophobicContact CD1-CE2 3.91Å; L143-F179 HydrophobicContact CD1-CZ 4.44Å; L143-F179 HydrophobicContact CG-CE2 4.25Å; M167-F179 HydrophobicContact CE-CE1 4.43Å; M167-F179 HydrophobicContact SD-CD1 4.12Å; M167-F179 HydrophobicContact SD-CE1 4.23Å; F177-F179 HydrophobicContact CB-CE2 3.74Å; F177-F179 HydrophobicContact CB-CZ 4.08Å; F179-D183 HydrophobicContact CB-CB 4.2Å; F179-D183 HydrophobicContact CD1-CB 4.26Å; F179-Q186 HydrophobicContact CD1-CB 4.04Å; F179-Q186 HydrophobicContact CE1-CB 3.84Å; F179-E187 HydrophobicContact CD2-CB 3.93Å; F179-E187 HydrophobicContact CD2-CG 4.13Å; F179-E187 HydrophobicContact CE2-CB 4.1Å; F179-E187 HydrophobicContact CE2-CG 4.22Å; F179-E187 HydrophobicContact CG-CB 4.14Å; F179-E187 HydrophobicContact CZ-CB 4.44Å; F179-L190 HydrophobicContact CE2-CD2 4.14Å; F179-L190 HydrophobicContact CZ-CB 4.16Å; F179-L190 HydrophobicContact CZ-CD2 3.57Å; F179-L190 HydrophobicContact CZ-CG 4.48Å
180G71.9Confident81.9Confident31 Ų3160.6 Ų60.632%0.3233%0.328SS..  trans-77.4-173.2176.600000113.5
181P65.8Low82.3Confident73 Ų7359.1 Ų59.147%0.47431%0.314SS..THydrogen-bonded Turntrans-56.1141.2174.116.3-23.7000111.3V138 D183V138-P181 HydrophobicContact CG1-CB 3.79Å; V138-P181 HydrophobicContact CG1-CG 3.61Å; V138-P181 HydrophobicContact CG2-CG 4.37Å; P181-D183 VanDerWaalsContact C-N 3.33Å; P181-D183 PolarHBondContact O-N 2.98Å
182C60.9Low82.7Confident122 Ų12255.1 Ų55.182%0.82431%0.307SS*.THydrogen-bonded Turntrans73.61.3176.4-54.90000117.4
183D70.6Confident83.3Confident52 Ų5251.5 Ų51.528%0.27829%0.285SS..  trans-96.622.9-180-75.5-40.2000115F179 P181 H185 Q186 E187F179-D183 HydrophobicContact CB-CB 4.2Å; F179-D183 HydrophobicContact CD1-CB 4.26Å; P181-D183 VanDerWaalsContact C-N 3.33Å; P181-D183 PolarHBondContact O-N 2.98Å; D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-N 3.35Å; D183-Q186 HydrophobicContact CB-CB 4.43Å; D183-Q186 HydrophobicContact CB-CG 4.33Å; D183-Q186 WeakPolarHBondContact O-CB 3.37Å; D183-Q186 PolarHBondContact O-N 2.91Å; D183-Q186 PolarHBondContact OD1-NE2 3.1Å; D183-E187 PolarHBondContact O-N 3.28Å; D183-E187 VanDerWaalsContact O-N 3.15Å
184Y72.8Confident83.6Confident129 Ų12949.6 Ų49.651%0.50627%0.272SS..Hα-helixtrans-60.1-34-175.680.1-88000113.6Q186 E187 V188Y184-Q186 VanDerWaalsContact C-N 3.3Å; Y184-Q186 PolarHBondContact O-N 2.82Å; Y184-E187 PolarHBondContact O-N 2.93Å; Y184-V188 WeakPolarHBondContact O-CG2 3.5Å; Y184-V188 PolarHBondContact O-N 3.47Å
185H80.8Confident83.7Confident122 Ų12248.5 Ų48.557%0.56527%0.268SS*.Hα-helixtrans-65.4-34.9175.3-72.1-67.2000112.2D183 S189D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-N 3.35Å; H185-S189 VanDerWaalsContact O-CB 3.24Å; H185-S189 WeakPolarHBondContact O-CB 3.37Å; H185-S189 PolarHBondContact O-N 3.03Å
186Q81.8Confident83.8Confident78 Ų7852.8 Ų52.836%0.36429%0.287SS..Hα-helixtrans-69.2-40.2177.3-55.4-163.636.400110.7F179 D183 Y184 S189 L190F179-Q186 HydrophobicContact CD1-CB 4.04Å; F179-Q186 HydrophobicContact CE1-CB 3.84Å; D183-Q186 HydrophobicContact CB-CB 4.43Å; D183-Q186 HydrophobicContact CB-CG 4.33Å; D183-Q186 WeakPolarHBondContact O-CB 3.37Å; D183-Q186 PolarHBondContact O-N 2.91Å; D183-Q186 PolarHBondContact OD1-NE2 3.1Å; Y184-Q186 VanDerWaalsContact C-N 3.3Å; Y184-Q186 PolarHBondContact O-N 2.82Å; Q186-S189 PolarHBondContact O-N 3.24Å; Q186-L190 WeakPolarHBondContact O-CB 3.4Å; Q186-L190 PolarHBondContact O-N 2.58Å
187E85.8Confident84Confident0 Ų054.1 Ų54.10%029%0.292CS..Hα-helixtrans-59.3-53.3173.4-178.1-94.2145.800111.6S125 R127 T141 L143 F179 D183 Y184 S189 L190 R191S125-E187 PolarHBondContact OG-OE1 2.86Å; R127-E187 IonicContact CZ-OE2 2.99Å; R127-E187 IonicContact NH1-OE2 3.53Å; R127-E187 PolarHBondContact NH1-OE2 2.9Å; R127-E187 IonicContact NH2-OE2 2.89Å; R127-E187 PolarHBondContact NH2-OE2 3.17Å; R127-E187 VanDerWaalsContact NH2-OE2 3.14Å; T141-E187 HydrophobicContact CG2-CB 4.5Å; T141-E187 HydrophobicContact CG2-CG 3.61Å; L143-E187 HydrophobicContact CD1-CG 3.8Å; L143-E187 WeakPolarHBondContact CD1-O 3.18Å; L143-E187 HydrophobicContact CD2-CG 4.42Å; L143-E187 HydrophobicContact CG-CG 3.87Å; F179-E187 HydrophobicContact CD2-CB 3.93Å; F179-E187 HydrophobicContact CD2-CG 4.13Å; F179-E187 HydrophobicContact CE2-CB 4.1Å; F179-E187 HydrophobicContact CE2-CG 4.22Å; F179-E187 HydrophobicContact CG-CB 4.14Å; F179-E187 HydrophobicContact CZ-CB 4.44Å; D183-E187 PolarHBondContact O-N 3.28Å; D183-E187 VanDerWaalsContact O-N 3.15Å; Y184-E187 PolarHBondContact O-N 2.93Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 3.2Å; E187-L190 PolarHBondContact O-N 3.16Å; E187-R191 WeakPolarHBondContact O-CB 3.23Å; E187-R191 PolarHBondContact O-N 3.28Å; E187-R191 IonicContact OE1-NE 2.68Å
188V86.4Confident84.2Confident53 Ų5354.1 Ų54.132%0.32129%0.292SS..Hα-helixtrans-60.3-43.5-179.3173.30000110.9Y184 R191 V192Y184-V188 WeakPolarHBondContact O-CG2 3.5Å; Y184-V188 PolarHBondContact O-N 3.47Å; V188-R191 PolarHBondContact O-N 3.04Å; V188-V192 WeakPolarHBondContact O-CG2 3.45Å; V188-V192 PolarHBondContact O-N 2.96Å; V188-V192 VanDerWaalsContact O-N 3.08Å
189S88.6Confident84.5Confident50 Ų5054.6 Ų54.635%0.3530%0.295SS..Hα-helixtrans-60.8-50.4176.4-174.80000111.3H185 Q186 E187 R191 V192 H193H185-S189 VanDerWaalsContact O-CB 3.24Å; H185-S189 WeakPolarHBondContact O-CB 3.37Å; H185-S189 PolarHBondContact O-N 3.03Å; Q186-S189 PolarHBondContact O-N 3.24Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 3.2Å; S189-R191 VanDerWaalsContact C-N 3.33Å; S189-R191 PolarHBondContact O-N 2.95Å; S189-V192 PolarHBondContact O-N 3.47Å; S189-H193 PolarHBondContact O-N 3.39Å; S189-H193 VanDerWaalsContact O-N 3.14Å; S189-H193 PolarHBondContact O-ND1 3.35Å
190L88.9Confident85Confident0 Ų061.6 Ų61.60%033%0.325CS..Hα-helixtrans-59.4-45.5178.6178.260.7000111.1L143 F160 W163 F177 F179 Q186 E187 V192 H193 L194L143-L190 HydrophobicContact CD1-CB 4.13Å; L143-L190 HydrophobicContact CD1-CD2 4.04Å; L143-L190 HydrophobicContact CD1-CG 4.09Å; F160-L190 HydrophobicContact CD1-CD1 3.35Å; F160-L190 HydrophobicContact CE1-CD1 3.75Å; F160-L190 HydrophobicContact CG-CD1 4.38Å; W163-L190 HydrophobicContact CD2-CD1 3.92Å; W163-L190 HydrophobicContact CE3-CD1 4.14Å; W163-L190 HydrophobicContact CG-CD1 4.2Å; W163-L190 HydrophobicContact CG-CD2 4.47Å; F177-L190 HydrophobicContact CB-CD2 3.78Å; F177-L190 HydrophobicContact CD1-CD2 3.66Å; F177-L190 HydrophobicContact CD2-CD2 3.69Å; F177-L190 HydrophobicContact CE1-CD2 4.12Å; F177-L190 HydrophobicContact CE2-CD2 4.14Å; F177-L190 HydrophobicContact CG-CD2 3.42Å; F177-L190 VanDerWaalsContact CG-CD2 3.42Å; F177-L190 HydrophobicContact CZ-CD2 4.34Å; F179-L190 HydrophobicContact CE2-CD2 4.14Å; F179-L190 HydrophobicContact CZ-CB 4.16Å; F179-L190 HydrophobicContact CZ-CD2 3.57Å; F179-L190 HydrophobicContact CZ-CG 4.48Å; Q186-L190 WeakPolarHBondContact O-CB 3.4Å; Q186-L190 PolarHBondContact O-N 2.58Å; E187-L190 PolarHBondContact O-N 3.16Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.25Å; L190-H193 PolarHBondContact O-N 3.13Å; L190-L194 HydrophobicContact CD1-CD1 4.1Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.24Å; L190-L194 HydrophobicContact CG-CD1 3.75Å; L190-L194 HydrophobicContact CG-CG 4.1Å; L190-L194 WeakPolarHBondContact O-CB 3.33Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.92Å
191R91.4Very high86Confident48 Ų4863.7 Ų63.718%0.18133%0.327CS..Hα-helixtrans-56.4-47.2179-175.3170.556.480.25.7111.7L123 L143 E187 V188 S189 H193 L194 M195L123-R191 HydrophobicContact CD2-CG 4.24Å; L143-R191 HydrophobicContact CD1-CB 3.96Å; L143-R191 HydrophobicContact CD2-CB 4.13Å; L143-R191 HydrophobicContact CD2-CG 4.19Å; E187-R191 WeakPolarHBondContact O-CB 3.23Å; E187-R191 PolarHBondContact O-N 3.28Å; E187-R191 IonicContact OE1-NE 2.68Å; V188-R191 PolarHBondContact O-N 3.04Å; S189-R191 VanDerWaalsContact C-N 3.33Å; S189-R191 PolarHBondContact O-N 2.95Å; R191-H193 PolarHBondContact O-N 3.49Å; R191-L194 PolarHBondContact O-N 3.33Å; R191-M195 HydrophobicContact CG-CG 4.42Å; R191-M195 HydrophobicContact CG-SD 4.12Å; R191-M195 WeakPolarHBondContact O-CG 3.37Å; R191-M195 PolarHBondContact O-N 3.19Å
192V91.3Very high87.2Confident77 Ų7762.5 Ų62.547%0.46733%0.328SS..Hα-helixtrans-60.5-46.4178.2172.20000111.1V188 S189 L190 L194 M195 E196V188-V192 WeakPolarHBondContact O-CG2 3.45Å; V188-V192 PolarHBondContact O-N 2.96Å; V188-V192 VanDerWaalsContact O-N 3.08Å; S189-V192 PolarHBondContact O-N 3.47Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.25Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.21Å; V192-M195 PolarHBondContact O-N 2.83Å; V192-E196 WeakPolarHBondContact O-CB 3.36Å; V192-E196 PolarHBondContact O-N 3.18Å
193H92.6Very high88.8Confident84 Ų8456.8 Ų56.839%0.38929%0.289SS..Hα-helixtrans-64.1-38.1178.5-70.485.6000112.4F160 S189 L190 R191 E196 Y197F160-H193 HydrophobicContact CE1-CB 3.7Å; F160-H193 HydrophobicContact CZ-CB 4.24Å; S189-H193 PolarHBondContact O-N 3.39Å; S189-H193 VanDerWaalsContact O-N 3.14Å; S189-H193 PolarHBondContact O-ND1 3.35Å; L190-H193 PolarHBondContact O-N 3.13Å; R191-H193 PolarHBondContact O-N 3.49Å; H193-E196 PolarHBondContact O-N 3.05Å; H193-Y197 VanDerWaalsContact O-CB 3.27Å; H193-Y197 WeakPolarHBondContact O-CB 3.09Å; H193-Y197 PolarHBondContact O-N 2.84Å
194L92.6Very high89.7Confident0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-64.6-46.2175.5-74.1171.7000111.5L123 I145 I156 F160 F177 L190 R191 V192 E196 Y197 I198L123-L194 HydrophobicContact CD1-CD1 4.18Å; I145-L194 HydrophobicContact CD1-CD1 3.72Å; I145-L194 HydrophobicContact CD1-CD2 3.48Å; I145-L194 VanDerWaalsContact CD1-CD2 3.48Å; I145-L194 HydrophobicContact CD1-CG 4.16Å; I145-L194 HydrophobicContact CG1-CD1 4.3Å; I156-L194 HydrophobicContact CG1-CD2 4.46Å; I156-L194 HydrophobicContact CG2-CD2 4.15Å; F160-L194 HydrophobicContact CD1-CD2 4.19Å; F160-L194 HydrophobicContact CD2-CD2 4.38Å; F160-L194 HydrophobicContact CE1-CD2 3.84Å; F160-L194 HydrophobicContact CE1-CG 4.12Å; F160-L194 HydrophobicContact CE2-CD2 4.07Å; F160-L194 HydrophobicContact CG-CD2 4.43Å; F160-L194 HydrophobicContact CZ-CD2 3.78Å; F160-L194 HydrophobicContact CZ-CG 4.37Å; F177-L194 HydrophobicContact CE2-CD1 4.33Å; L190-L194 HydrophobicContact CD1-CD1 4.1Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.24Å; L190-L194 HydrophobicContact CG-CD1 3.75Å; L190-L194 HydrophobicContact CG-CG 4.1Å; L190-L194 WeakPolarHBondContact O-CB 3.33Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.92Å; R191-L194 PolarHBondContact O-N 3.33Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.21Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.29Å; L194-Y197 PolarHBondContact O-N 3.1Å; L194-I198 WeakPolarHBondContact O-CB 3.45Å; L194-I198 WeakPolarHBondContact O-CD1 3.46Å; L194-I198 VanDerWaalsContact O-CG1 3.22Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 2.83Å
195M93.4Very high90.4Very high30 Ų3056 Ų5615%0.14830%0.299CS..Hα-helixtrans-61.6-42.1177.6-66-177.691.800111.1L123 R191 V192 T199 I205 W226 F228L123-M195 HydrophobicContact CD2-CG 3.63Å; L123-M195 HydrophobicContact CD2-SD 4.5Å; R191-M195 HydrophobicContact CG-CG 4.42Å; R191-M195 HydrophobicContact CG-SD 4.12Å; R191-M195 WeakPolarHBondContact O-CG 3.37Å; R191-M195 PolarHBondContact O-N 3.19Å; V192-M195 PolarHBondContact O-N 2.83Å; M195-T199 WeakPolarHBondContact O-CB 3.33Å; M195-T199 PolarHBondContact O-N 2.78Å; M195-T199 PolarHBondContact O-OG1 3.32Å; M195-I205 HydrophobicContact CE-CD1 4.05Å; M195-W226 HydrophobicContact CE-CB 4.35Å; M195-W226 HydrophobicContact CE-CD2 4Å; M195-W226 HydrophobicContact CE-CG 3.66Å; M195-F228 HydrophobicContact CB-CZ 4.32Å; M195-F228 HydrophobicContact CE-CZ 3.82Å; M195-F228 HydrophobicContact CG-CZ 4.02Å
196E93.9Very high90.7Very high91 Ų9156.2 Ų56.243%0.42529%0.294SS..Hα-helixtrans-64.3-43.4175.4-167.8-172.1158.600111.7V192 H193 L194 T199 K200V192-E196 WeakPolarHBondContact O-CB 3.36Å; V192-E196 PolarHBondContact O-N 3.18Å; H193-E196 PolarHBondContact O-N 3.05Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.29Å; E196-T199 PolarHBondContact O-N 3.39Å; E196-K200 HydrophobicContact CG-CD 4.34Å; E196-K200 WeakPolarHBondContact O-CB 3.09Å; E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 2.86Å; E196-K200 VanDerWaalsContact OE1-CE 3.29Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 3.95Å; E196-K200 PolarHBondContact OE1-NZ 2.89Å
197Y94.5Very high90.7Very high32 Ų3254.9 Ų54.913%0.12529%0.29CS..Hα-helixtrans-62.3-48.5177.9-177-101.6000111.8L152 G155 I156 H159 F160 H193 L194 T199 K200 Q201L152-Y197 HydrophobicContact CD1-CD1 4.09Å; L152-Y197 HydrophobicContact CD1-CE1 3.69Å; G155-Y197 VanDerWaalsContact CA-OH 3.32Å; G155-Y197 WeakPolarHBondContact CA-OH 3.41Å; I156-Y197 HydrophobicContact CG1-CD1 3.98Å; I156-Y197 HydrophobicContact CG1-CE1 3.85Å; H159-Y197 AromaticContact ND1-CE2 3.46Å; H159-Y197 WeakPolarHBondContact ND1-CE2 3.31Å; H159-Y197 AromaticContact ND1-CZ 3.66Å; H159-Y197 PolarHBondContact ND1-OH 3.25Å; F160-Y197 HydrophobicContact CE2-CD1 4.22Å; F160-Y197 HydrophobicContact CE2-CD2 4.31Å; F160-Y197 AromaticContact CE2-CG 3.97Å; F160-Y197 HydrophobicContact CE2-CG 3.97Å; F160-Y197 HydrophobicContact CZ-CG 4.29Å; H193-Y197 VanDerWaalsContact O-CB 3.27Å; H193-Y197 WeakPolarHBondContact O-CB 3.09Å; H193-Y197 PolarHBondContact O-N 2.84Å; L194-Y197 PolarHBondContact O-N 3.1Å; Y197-T199 VanDerWaalsContact C-N 3.28Å; Y197-T199 PolarHBondContact O-N 3.38Å; Y197-K200 WeakPolarHBondContact O-CB 3.4Å; Y197-K200 PolarHBondContact O-N 2.86Å; Y197-Q201 HydrophobicContact CE1-CG 4.26Å; Y197-Q201 WeakPolarHBondContact O-CG 3.33Å; Y197-Q201 PolarHBondContact O-N 3.1Å; Y197-Q201 VanDerWaalsContact O-N 3.14Å
198I94.5Very high90.8Very high0 Ų058.9 Ų58.90%031%0.314CS..Hα-helixtrans-57.8-43.9176.2-68163.1000110.1V121 L194 K200 Q201 F203 F228V121-I198 HydrophobicContact CB-CG2 4.5Å; V121-I198 HydrophobicContact CG1-CD1 3.9Å; V121-I198 HydrophobicContact CG1-CG1 4.32Å; V121-I198 HydrophobicContact CG1-CG2 4.45Å; L194-I198 WeakPolarHBondContact O-CB 3.45Å; L194-I198 WeakPolarHBondContact O-CD1 3.46Å; L194-I198 VanDerWaalsContact O-CG1 3.22Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 2.83Å; I198-K200 PolarHBondContact O-N 2.91Å; I198-Q201 WeakPolarHBondContact O-CB 3.44Å; I198-Q201 PolarHBondContact O-N 2.7Å; I198-Q201 VanDerWaalsContact O-N 3.15Å; I198-F203 HydrophobicContact CG2-CB 3.58Å; I198-F203 HydrophobicContact CG2-CD2 4.21Å; I198-F203 HydrophobicContact CG2-CG 3.99Å; I198-F203 WeakPolarHBondContact O-CB 3.28Å; I198-F203 PolarHBondContact O-N 3.26Å; I198-F228 HydrophobicContact CD1-CD2 4.46Å; I198-F228 HydrophobicContact CD1-CE2 4.22Å; I198-F228 HydrophobicContact CG2-CB 3.92Å; I198-F228 HydrophobicContact CG2-CD1 3.61Å; I198-F228 HydrophobicContact CG2-CD2 4.07Å; I198-F228 HydrophobicContact CG2-CE1 4.07Å; I198-F228 HydrophobicContact CG2-CG 3.62Å
199T92.4Very high90.7Very high74 Ų7463.5 Ų63.545%0.45433%0.326SS..Hα-helixtrans-64.9-40.5178.7-52.60000112.2M195 E196 Y197 Q201 G202 F203M195-T199 WeakPolarHBondContact O-CB 3.33Å; M195-T199 PolarHBondContact O-N 2.78Å; M195-T199 PolarHBondContact O-OG1 3.32Å; E196-T199 PolarHBondContact O-N 3.39Å; Y197-T199 VanDerWaalsContact C-N 3.28Å; Y197-T199 PolarHBondContact O-N 3.38Å; T199-Q201 PolarHBondContact O-N 2.93Å; T199-G202 PolarHBondContact O-N 3.06Å; T199-F203 WeakPolarHBondContact CA-O 3.42Å
200K94.2Very high90.5Very high148 Ų14865 Ų6564%0.64333%0.333SS*.Hα-helixtrans-62.5-24.8174.6-80.8172.7168.61660113.3E196 Y197 I198 G202E196-K200 HydrophobicContact CG-CD 4.34Å; E196-K200 WeakPolarHBondContact O-CB 3.09Å; E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 2.86Å; E196-K200 VanDerWaalsContact OE1-CE 3.29Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 3.95Å; E196-K200 PolarHBondContact OE1-NZ 2.89Å; Y197-K200 WeakPolarHBondContact O-CB 3.4Å; Y197-K200 PolarHBondContact O-N 2.86Å; I198-K200 PolarHBondContact O-N 2.91Å; K200-G202 PolarHBondContact O-N 2.75Å
201Q92.6Very high90Very high75 Ų7569.2 Ų69.235%0.3535%0.352SS..THydrogen-bonded Turntrans-81.19.6172.1-60.2-59.9-42.800112.8L152 Y197 I198 T199 F203 R230L152-Q201 HydrophobicContact CD1-CB 4.13Å; L152-Q201 HydrophobicContact CD1-CG 3.68Å; Y197-Q201 HydrophobicContact CE1-CG 4.26Å; Y197-Q201 WeakPolarHBondContact O-CG 3.33Å; Y197-Q201 PolarHBondContact O-N 3.1Å; Y197-Q201 VanDerWaalsContact O-N 3.14Å; I198-Q201 WeakPolarHBondContact O-CB 3.44Å; I198-Q201 PolarHBondContact O-N 2.7Å; I198-Q201 VanDerWaalsContact O-N 3.15Å; T199-Q201 PolarHBondContact O-N 2.93Å; Q201-F203 HydrophobicContact CB-CD2 3.99Å; Q201-F203 HydrophobicContact CB-CE2 4.23Å; Q201-R230 PolarHBondContact O-NH1 2.99Å
202G91.6Very high89.3Confident48 Ų4873.8 Ų73.850%0.49538%0.376SS..THydrogen-bonded Turntrans85.67.5175.500000114.6T199 K200 R230T199-G202 PolarHBondContact O-N 3.06Å; K200-G202 PolarHBondContact O-N 2.75Å; G202-R230 WeakPolarHBondContact O-CB 3.47Å
203F93.9Very high88.1Confident1 Ų173.8 Ų73.80%0.00437%0.372CS..  trans-80.6140.7173.3-70.3-94.2000111.5E119 V121 V149 L152 I198 T199 Q201 F228 R230E119-F203 HydrophobicContact CB-CE1 3.87Å; E119-F203 HydrophobicContact CB-CZ 4.06Å; V121-F203 HydrophobicContact CG2-CD1 3.8Å; V121-F203 HydrophobicContact CG2-CD2 4.42Å; V121-F203 HydrophobicContact CG2-CE1 3.45Å; V121-F203 VanDerWaalsContact CG2-CE1 3.45Å; V121-F203 HydrophobicContact CG2-CE2 4.12Å; V121-F203 HydrophobicContact CG2-CG 4.28Å; V121-F203 HydrophobicContact CG2-CZ 3.64Å; V149-F203 HydrophobicContact CG2-CZ 4.05Å; L152-F203 HydrophobicContact CD2-CE2 4.27Å; I198-F203 HydrophobicContact CG2-CB 3.58Å; I198-F203 HydrophobicContact CG2-CD2 4.21Å; I198-F203 HydrophobicContact CG2-CG 3.99Å; I198-F203 WeakPolarHBondContact O-CB 3.28Å; I198-F203 PolarHBondContact O-N 3.26Å; T199-F203 WeakPolarHBondContact CA-O 3.42Å; Q201-F203 HydrophobicContact CB-CD2 3.99Å; Q201-F203 HydrophobicContact CB-CE2 4.23Å; F203-F228 HydrophobicContact CB-CB 3.86Å; F203-F228 HydrophobicContact CD1-CB 4.3Å; F203-F228 HydrophobicContact CG-CB 4.45Å; F203-R230 HydrophobicContact CD1-CB 4.03Å; F203-R230 HydrophobicContact CD1-CG 3.86Å; F203-R230 HydrophobicContact CD2-CG 4.38Å; F203-R230 HydrophobicContact CE1-CB 4.27Å; F203-R230 HydrophobicContact CE1-CG 3.61Å; F203-R230 VanDerWaalsContact CE2-CD 3.49Å; F203-R230 HydrophobicContact CE2-CG 4.17Å; F203-R230 VanDerWaalsContact CE2-CZ 3.5Å; F203-R230 HydrophobicContact CG-CB 4.28Å; F203-R230 HydrophobicContact CG-CG 4.22Å; F203-R230 HydrophobicContact CZ-CG 3.77Å; F203-R230 VanDerWaalsContact CZ-NE 3.29Å
204S89.6Confident86.6Confident76 Ų7674.2 Ų74.253%0.53138%0.384SS..EExtended strand (participates in β ladder)trans-112.8144.9175.3-63.40000110.7R206 F228 C229S204-R206 PolarHBondContact O-N 3.42Å; S204-F228 CarbonylContact O-C 3.59Å; S204-F228 WeakPolarHBondContact O-CA 3.39Å; S204-C229 PolarHBondContact N-O 2.79Å; S204-C229 PolarHBondContact O-N 3Å
205I88.3Confident84.9Confident90 Ų9082 Ų8246%0.46242%0.42SS..EExtended strand (participates in β ladder)trans-65.6121.7175.1-64.2171.8000108.7M195 T208 F228M195-I205 HydrophobicContact CE-CD1 4.05Å; I205-T208 HydrophobicContact CG2-CG2 3.81Å; I205-F228 HydrophobicContact CB-CD1 4.5Å; I205-F228 HydrophobicContact CD1-CE1 4.03Å; I205-F228 HydrophobicContact CD1-CZ 4.47Å; I205-F228 HydrophobicContact CG1-CD1 3.63Å; I205-F228 HydrophobicContact CG1-CE1 3.3Å; I205-F228 HydrophobicContact CG1-CZ 3.98Å
206R86.7Confident83Confident125 Ų12589.7 Ų89.747%0.47245%0.447SS..EExtended strand (participates in β ladder)trans-92-43.3172.8173.8174.9-71.1-174.7-10111.9E118 S204 T227 C229E118-R206 IonicContact OE1-CZ 3.5Å; E118-R206 IonicContact OE1-NH1 3.14Å; E118-R206 IonicContact OE1-NH2 3.1Å; E118-R206 PolarHBondContact OE1-NH2 2.67Å; E118-R206 IonicContact OE2-CZ 3.81Å; E118-R206 IonicContact OE2-NH1 3.53Å; E118-R206 PolarHBondContact OE2-NH1 3.14Å; E118-R206 IonicContact OE2-NH2 3.46Å; E118-R206 PolarHBondContact OE2-NH2 2.99Å; S204-R206 PolarHBondContact O-N 3.42Å; R206-T227 PolarHBondContact N-O 3.03Å; R206-C229 PolarHBondContact NE-SG 2.9Å; R206-C229 VanDerWaalsContact NE-SG 3.41Å; R206-C229 PolarHBondContact NH2-SG 3.33Å
207N82Confident80.9Confident50 Ų5090.1 Ų90.127%0.26747%0.467SS..EExtended strand (participates in β ladder)trans-152.7147.5-169.1-17420.3000111.2R209 W226 T227N207-R209 PolarHBondContact ND2-NE 3.36Å; N207-R209 PolarHBondContact ND2-NH2 3.06Å; N207-W226 WeakPolarHBondContact O-CA 3.25Å; N207-T227 PolarHBondContact N-O 3.48Å; N207-T227 PolarHBondContact O-N 2.9Å
208T87.6Confident78.9Confident84 Ų8492.3 Ų92.352%0.51548%0.48SS..EExtended strand (participates in β ladder)trans-133.3126.3174.863.40000108.8I205 N225 W226I205-T208 HydrophobicContact CG2-CG2 3.81Å; T208-N225 CarbonylContact C-O 3.52Å; T208-N225 WeakPolarHBondContact CA-O 3.48Å; T208-W226 VanDerWaalsContact CG2-CD1 3.44Å; T208-W226 HydrophobicContact CG2-CG 4.47Å
209R84.7Confident77.1Confident151 Ų15196.2 Ų96.257%0.5750%0.499SS*.EExtended strand (participates in β ladder)trans-131.5147.9-179.5-66.9-178176.41543.9110.9N207 N225N207-R209 PolarHBondContact ND2-NE 3.36Å; N207-R209 PolarHBondContact ND2-NH2 3.06Å; R209-N225 HydrophobicContact CB-CB 4.47Å; R209-N225 PolarHBondContact N-O 3.02Å; R209-N225 PolarHBondContact O-N 2.92Å
210V84.6Confident75.9Confident82 Ų8297.7 Ų97.750%0.49750%0.504SS..EExtended strand (participates in β ladder)trans-124.1124.9173.3176.30000108E223V210-E223 CarbonylContact C-O 3.36Å; V210-E223 WeakPolarHBondContact CA-O 3.15Å
211H78.4Confident74.9Confident87 Ų8791.7 Ų91.740%0.40348%0.48SS..EExtended strand (participates in β ladder)trans-117126.7177.8-69.7-88.3000110E223H211-E223 PolarHBondContact N-O 2.87Å; H211-E223 PolarHBondContact O-N 3.26Å
212H76.8Confident74.3Confident145 Ų14590.1 Ų90.167%0.67148%0.475SS*.EExtended strand (participates in β ladder)trans-103114.1170.3-65.1-85.8000107.9
213M65.4Low74.1Confident77 Ų7790.2 Ų90.238%0.37946%0.463SS..EExtended strand (participates in β ladder)trans-113.9123.7-179.4-62.3179.673.600109.5E215 T221M213-E215 HydrophobicContact CE-CG 4.15Å; M213-E215 WeakPolarHBondContact CE-OE1 3.25Å; M213-T221 PolarHBondContact N-O 3.35Å; M213-T221 PolarHBondContact O-N 3.34Å; M213-T221 VanDerWaalsContact O-N 3.11Å
214S62Low73.9Confident93 Ų9392.4 Ų92.465%0.6547%0.473SS*.  trans-122.269.5169.969.20000109.1R216S214-R216 VanDerWaalsContact C-N 3.26Å; S214-R216 PolarHBondContact O-N 3.3Å
215E55Low74Confident162 Ų16290.6 Ų90.676%0.75746%0.457SS*.SBendtrans-74.1-17.8-176.1-71.7-171.4162.300112.9M213M213-E215 HydrophobicContact CE-CG 4.15Å; M213-E215 WeakPolarHBondContact CE-OE1 3.25Å
216R54.9Low74.3Confident192 Ų19287.8 Ų87.873%0.72544%0.441SS*.SBendtrans-145.6154.5174.1-64.1-177.7-177.3166.91110.9S214 N218 E219S214-R216 VanDerWaalsContact C-N 3.26Å; S214-R216 PolarHBondContact O-N 3.3Å; R216-N218 PolarHBondContact O-N 3.49Å; R216-E219 PolarHBondContact O-N 3.3Å
217A50.5Low74.5Confident100 Ų10083.2 Ų83.283%0.82643%0.427SS*.THydrogen-bonded Turntrans-55.8-2.2-179.200000116
218N51.2Low75.1Confident78 Ų7880.9 Ų80.942%0.41741%0.414SS..THydrogen-bonded Turntrans-131.92.8-172.1-75.8-31.4000116K131 R216K131-N218 HydrophobicContact CD-CB 4.1Å; K131-N218 PolarHBondContact NZ-OD1 2.94Å; R216-N218 PolarHBondContact O-N 3.49Å
219E56.8Low75.3Confident82 Ų8277.8 Ų77.838%0.38340%0.396SS..  trans-132.498.4-179.9-71175.3-166.200110.2R216R216-E219 PolarHBondContact O-N 3.3Å
220N67.3Low75.6Confident106 Ų10673.5 Ų73.557%0.56738%0.38SS*.  trans-83.8113.7168.3-71.7-12.6000107.6L129L129-N220 PolarHBondContact N-O 2.74Å
221T73Confident75.6Confident22 Ų2274.4 Ų74.414%0.13538%0.382CS..EExtended strand (participates in β ladder)trans-114.1129.6175-57.70000109.9T126 R127 K128 M213T126-T221 HydrophobicContact CG2-CG2 3.55Å; R127-T221 WeakPolarHBondContact O-CA 3.48Å; K128-T221 HydrophobicContact CG-CG2 3.98Å; M213-T221 PolarHBondContact N-O 3.35Å; M213-T221 PolarHBondContact O-N 3.34Å; M213-T221 VanDerWaalsContact O-N 3.11Å
222V81.3Confident75.8Confident42 Ų4271 Ų7126%0.25537%0.369SS..EExtended strand (participates in β ladder)trans-116.1125.9171.2-177.70000107.9T126 R127T126-V222 CarbonylContact C-O 3.5Å; T126-V222 WeakPolarHBondContact CA-O 3.38Å; R127-V222 PolarHBondContact N-O 3.23Å; R127-V222 PolarHBondContact O-N 3.17Å
223E86.8Confident75.9Confident49 Ų4972.9 Ų72.923%0.22937%0.37CS..EExtended strand (participates in β ladder)trans-120.9129177.5-170.6177.9-124.200110.8S125 T126 V210 H211 N225S125-E223 CarbonylContact O-C 3.53Å; S125-E223 WeakPolarHBondContact O-CA 3.39Å; T126-E223 PolarHBondContact OG1-OE1 3.08Å; V210-E223 CarbonylContact C-O 3.36Å; V210-E223 WeakPolarHBondContact CA-O 3.15Å; H211-E223 PolarHBondContact N-O 2.87Å; H211-E223 PolarHBondContact O-N 3.26Å; E223-N225 PolarHBondContact OE2-ND2 3.25Å
224H89.1Confident76.2Confident47 Ų4775.4 Ų75.422%0.21838%0.379CS..EExtended strand (participates in β ladder)trans-108.2129.6169.1-59.8159.3000109S124 S125 W226S124-H224 CarbonylContact C-O 3.59Å; S124-H224 WeakPolarHBondContact CA-O 3.3Å; S125-H224 PolarHBondContact N-O 3.28Å; S125-H224 PolarHBondContact O-N 3.21Å; H224-W226 HydrophobicContact CB-CE3 4.46Å; H224-W226 HydrophobicContact CB-CH2 3.29Å; H224-W226 HydrophobicContact CB-CZ2 3.93Å; H224-W226 HydrophobicContact CB-CZ3 3.61Å
225N91.4Very high76.2Confident39 Ų3976.4 Ų76.421%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-122.3132.3-177.8-70.2-48.9000110.2L123 S124 T208 R209 E223L123-N225 CarbonylContact O-C 3.46Å; S124-N225 WeakPolarHBondContact CB-OD1 3.46Å; T208-N225 CarbonylContact C-O 3.52Å; T208-N225 WeakPolarHBondContact CA-O 3.48Å; R209-N225 HydrophobicContact CB-CB 4.47Å; R209-N225 PolarHBondContact N-O 3.02Å; R209-N225 PolarHBondContact O-N 2.92Å; E223-N225 PolarHBondContact OE2-ND2 3.25Å
226W94.5Very high76Confident31 Ų3176.7 Ų76.712%0.11739%0.388CS..EExtended strand (participates in β ladder)trans-122.8128.1172.8-62.1-91.9000109.2E122 L123 M195 N207 T208 H224 F228E122-W226 WeakPolarHBondContact CA-O 3.49Å; L123-W226 HydrophobicContact CB-CB 4.38Å; L123-W226 HydrophobicContact CB-CE3 4.49Å; L123-W226 HydrophobicContact CD2-CE3 4.2Å; L123-W226 HydrophobicContact CG-CE3 4.06Å; L123-W226 PolarHBondContact N-O 3.06Å; L123-W226 PolarHBondContact O-N 2.97Å; M195-W226 HydrophobicContact CE-CB 4.35Å; M195-W226 HydrophobicContact CE-CD2 4Å; M195-W226 HydrophobicContact CE-CG 3.66Å; N207-W226 WeakPolarHBondContact O-CA 3.25Å; T208-W226 VanDerWaalsContact CG2-CD1 3.44Å; T208-W226 HydrophobicContact CG2-CG 4.47Å; H224-W226 HydrophobicContact CB-CE3 4.46Å; H224-W226 HydrophobicContact CB-CH2 3.29Å; H224-W226 HydrophobicContact CB-CZ2 3.93Å; H224-W226 HydrophobicContact CB-CZ3 3.61Å; W226-F228 HydrophobicContact CB-CD2 4.41Å; W226-F228 HydrophobicContact CB-CE2 3.64Å; W226-F228 HydrophobicContact CB-CZ 4.16Å
227T92Very high75.4Confident29 Ų2978.1 Ų78.118%0.17841%0.41CS..EExtended strand (participates in β ladder)trans-109.1127.3174-50.80000108.8V120 R206 N207V120-T227 HydrophobicContact CG1-CG2 3.76Å; R206-T227 PolarHBondContact N-O 3.03Å; N207-T227 PolarHBondContact N-O 3.48Å; N207-T227 PolarHBondContact O-N 2.9Å
228F95.1Very high76.6Confident0 Ų077 Ų770%039%0.389CS..EExtended strand (participates in β ladder)trans-115.3145.5175.1-52.4-109.9000110.7V120 V121 L123 M195 I198 F203 S204 I205 W226V120-F228 WeakPolarHBondContact CA-O 3.38Å; V121-F228 HydrophobicContact CB-CB 4.32Å; V121-F228 PolarHBondContact N-O 3.1Å; V121-F228 PolarHBondContact O-N 2.84Å; L123-F228 HydrophobicContact CB-CE2 4.09Å; L123-F228 HydrophobicContact CD2-CE2 4.49Å; M195-F228 HydrophobicContact CB-CZ 4.32Å; M195-F228 HydrophobicContact CE-CZ 3.82Å; M195-F228 HydrophobicContact CG-CZ 4.02Å; I198-F228 HydrophobicContact CD1-CD2 4.46Å; I198-F228 HydrophobicContact CD1-CE2 4.22Å; I198-F228 HydrophobicContact CG2-CB 3.92Å; I198-F228 HydrophobicContact CG2-CD1 3.61Å; I198-F228 HydrophobicContact CG2-CD2 4.07Å; I198-F228 HydrophobicContact CG2-CE1 4.07Å; I198-F228 HydrophobicContact CG2-CG 3.62Å; F203-F228 HydrophobicContact CB-CB 3.86Å; F203-F228 HydrophobicContact CD1-CB 4.3Å; F203-F228 HydrophobicContact CG-CB 4.45Å; S204-F228 CarbonylContact O-C 3.59Å; S204-F228 WeakPolarHBondContact O-CA 3.39Å; I205-F228 HydrophobicContact CB-CD1 4.5Å; I205-F228 HydrophobicContact CD1-CE1 4.03Å; I205-F228 HydrophobicContact CD1-CZ 4.47Å; I205-F228 HydrophobicContact CG1-CD1 3.63Å; I205-F228 HydrophobicContact CG1-CE1 3.3Å; I205-F228 HydrophobicContact CG1-CZ 3.98Å; W226-F228 HydrophobicContact CB-CD2 4.41Å; W226-F228 HydrophobicContact CB-CE2 3.64Å; W226-F228 HydrophobicContact CB-CZ 4.16Å
229C90.4Very high77.9Confident20 Ų2076.9 Ų76.914%0.13539%0.387CS..EExtended strand (participates in β ladder)trans-135.2149.1179.360.40000112.4E118 E119 S204 R206E118-C229 HydrophobicContact CG-CB 4.1Å; E118-C229 WeakPolarHBondContact OE1-CB 3.33Å; E119-C229 WeakPolarHBondContact O-CA 3.4Å; S204-C229 PolarHBondContact N-O 2.79Å; S204-C229 PolarHBondContact O-N 3Å; R206-C229 PolarHBondContact NE-SG 2.9Å; R206-C229 VanDerWaalsContact NE-SG 3.41Å; R206-C229 PolarHBondContact NH2-SG 3.33Å
230R91.8Very high79.1Confident61 Ų6176.7 Ų76.723%0.2339%0.387CS..EExtended strand (participates in β ladder)trans-143.8156.2163.774.8-178.1-178.9-177.30.9110.5E118 E119 Q201 G202 F203E118-R230 WeakPolarHBondContact CA-O 3.45Å; E119-R230 HydrophobicContact CB-CG 4.19Å; E119-R230 PolarHBondContact N-O 3.02Å; E119-R230 PolarHBondContact O-N 2.85Å; E119-R230 VanDerWaalsContact O-N 3.11Å; E119-R230 IonicContact OE1-NH2 3.12Å; E119-R230 IonicContact OE2-CZ 2.65Å; E119-R230 IonicContact OE2-NE 2.55Å; E119-R230 PolarHBondContact OE2-NE 3.47Å; E119-R230 IonicContact OE2-NH2 2.66Å; E119-R230 PolarHBondContact OE2-NH2 2.83Å; Q201-R230 PolarHBondContact O-NH1 2.99Å; G202-R230 WeakPolarHBondContact O-CB 3.47Å; F203-R230 HydrophobicContact CD1-CB 4.03Å; F203-R230 HydrophobicContact CD1-CG 3.86Å; F203-R230 HydrophobicContact CD2-CG 4.38Å; F203-R230 HydrophobicContact CE1-CB 4.27Å; F203-R230 HydrophobicContact CE1-CG 3.61Å; F203-R230 VanDerWaalsContact CE2-CD 3.49Å; F203-R230 HydrophobicContact CE2-CG 4.17Å; F203-R230 VanDerWaalsContact CE2-CZ 3.5Å; F203-R230 HydrophobicContact CG-CB 4.28Å; F203-R230 HydrophobicContact CG-CG 4.22Å; F203-R230 HydrophobicContact CZ-CG 3.77Å; F203-R230 VanDerWaalsContact CZ-NE 3.29Å
231L85.2Confident79.8Confident101 Ų10174.9 Ų74.953%0.52938%0.377SS..EExtended strand (participates in β ladder)trans-82.3133.8168.8-64.4175.3000109.6Y112 T116Y112-L231 HydrophobicContact CD1-CD1 4.43Å; Y112-L231 HydrophobicContact CE1-CD1 4.48Å; T116-L231 HydrophobicContact CG2-CB 4.19Å; T116-L231 HydrophobicContact CG2-CD2 4.3Å
232A81.6Confident80.2Confident16 Ų1678.3 Ų78.313%0.13239%0.392CS..EExtended strand (participates in β ladder)trans-126.4155.2175.600000109.8T116 F117 E119T116-A232 CarbonylContact C-O 3.51Å; T116-A232 VanDerWaalsContact CA-O 3.23Å; T116-A232 WeakPolarHBondContact CA-O 3.37Å; T116-A232 WeakPolarHBondContact CG2-O 3.36Å; F117-A232 HydrophobicContact CE1-CB 4.18Å; F117-A232 HydrophobicContact CE2-CB 4.13Å; F117-A232 HydrophobicContact CZ-CB 3.91Å; F117-A232 PolarHBondContact N-O 3.25Å; F117-A232 PolarHBondContact O-N 3.11Å; F117-A232 VanDerWaalsContact O-O 3.12Å; E119-A232 HydrophobicContact CG-CB 3.83Å
233R79.6Confident80.2Confident183 Ų18380.7 Ų80.769%0.69140%0.401SS*.EExtended strand (participates in β ladder)trans-107.2141.5173.2-65.2-177.2-175.61700109.3D115 T235D115-R233 CarbonylContact O-C 3.55Å; D115-R233 VanDerWaalsContact O-CA 3.31Å; D115-R233 WeakPolarHBondContact O-CA 3.36Å; R233-T235 PolarHBondContact O-N 3.45Å
234K70Confident79.7Confident131 Ų13182.9 Ų82.957%0.5741%0.413SS*.  trans-61.2117.8167.2-75.2-179.8178.4173.50106.6D115 F117D115-K234 HydrophobicContact CB-CB 4.15Å; D115-K234 PolarHBondContact O-N 2.98Å; F117-K234 HydrophobicContact CD1-CG 3.93Å; F117-K234 HydrophobicContact CE1-CG 3.89Å
235T63.2Low79Confident114 Ų11485.7 Ų85.770%0.69943%0.428SS*.  trans-70.4129.316342.40000107.1R233 D237R233-T235 PolarHBondContact O-N 3.45Å; T235-D237 PolarHBondContact O-N 3.46Å; T235-D237 VanDerWaalsContact O-N 3.08Å
236D50.3Low77.9Confident168 Ų16889.6 Ų89.690%0.89845%0.447SS*.  trans-64.2107.3166.3-70.5-36.1000106.8
237D41.5Very low76.4Confident221 Ų22194.9 Ų94.9100%1.18248%0.477SS*.  trans-78.50169.1-81-16.5000110.7T235T235-D237 PolarHBondContact O-N 3.46Å; T235-D237 VanDerWaalsContact O-N 3.08Å

Retrieved 237 of 237 residues in 141.3 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).