G4V735_SCHMA Loading...

Putative sjcwl01.CXW

AlphaFold DB , UniProt , Accession G4V735, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low65.8Low135 Ų13593.1 Ų93.167%0.66548%0.482SS*.  0119.50-83.5178.2177.300103.4D5 Y6 R35M1-D5 HydrophobicContact CB-CB 4.5Å; M1-Y6 HydrophobicContact CB-CE2 4.34Å; M1-R35 HydrophobicContact CE-CG 4.31Å
2D51.7Low67.7Low121 Ų12193.3 Ų93.365%0.64748%0.479SS*.  trans-63.2151.5172.7-75.9-34.9000108.4D4 D5 Y6D2-D4 PolarHBondContact O-N 3.08Å; D2-D5 PolarHBondContact N-OD2 3.21Å; D2-D5 WeakPolarHBondContact O-CB 3.32Å; D2-D5 PolarHBondContact O-N 3.5Å; D2-Y6 WeakPolarHBondContact O-CD2 3.43Å
3L48.2Very low69.3Low147 Ų14790.4 Ų90.477%0.7746%0.464SS*.G310 helixtrans-56.6-26.9-179.3-155.778.2000111.3D5 Y6L3-D5 VanDerWaalsContact C-N 3.29Å; L3-D5 PolarHBondContact O-N 3.1Å; L3-Y6 HydrophobicContact CD1-CD2 4.35Å; L3-Y6 HydrophobicContact CD1-CE2 4.09Å; L3-Y6 WeakPolarHBondContact O-CD2 3.27Å
4D56Low70.5Confident161 Ų16186.2 Ų86.286%0.86145%0.446SS*.G310 helixtrans-74.2-13.5177.1-59.1-37.2000114D2D2-D4 PolarHBondContact O-N 3.08Å
5D62.8Low71.6Confident77 Ų7789.1 Ų89.141%0.41247%0.473SS..G310 helixtrans-91.6-3.2178.4-71.3-35.8000113.4M1 D2 L3 I7M1-D5 HydrophobicContact CB-CB 4.5Å; D2-D5 PolarHBondContact N-OD2 3.21Å; D2-D5 WeakPolarHBondContact O-CB 3.32Å; D2-D5 PolarHBondContact O-N 3.5Å; L3-D5 VanDerWaalsContact C-N 3.29Å; L3-D5 PolarHBondContact O-N 3.1Å; D5-I7 PolarHBondContact O-N 2.97Å
6Y64.4Low72.5Confident136 Ų13688.3 Ų88.353%0.53349%0.491SS..  trans-70.7108.6-175.4-81.5-99.5000110.9M1 D2 L3M1-Y6 HydrophobicContact CB-CE2 4.34Å; D2-Y6 WeakPolarHBondContact O-CD2 3.43Å; L3-Y6 HydrophobicContact CD1-CD2 4.35Å; L3-Y6 HydrophobicContact CD1-CE2 4.09Å; L3-Y6 WeakPolarHBondContact O-CD2 3.27Å
7I70.1Confident73.5Confident37 Ų3785.5 Ų85.519%0.1947%0.472CS..  trans-84.1119.2164.3-62.3-176.9000108.4D5 S9 M38 L41 V42D5-I7 PolarHBondContact O-N 2.97Å; I7-S9 VanDerWaalsContact CG2-OG 3.26Å; I7-S9 WeakPolarHBondContact CG2-OG 3.44Å; I7-M38 HydrophobicContact CB-SD 4.46Å; I7-M38 HydrophobicContact CD1-CB 4.25Å; I7-M38 VanDerWaalsContact CD1-O 3.28Å; I7-M38 WeakPolarHBondContact CD1-O 3.49Å; I7-M38 HydrophobicContact CD1-SD 4.5Å; I7-M38 HydrophobicContact CG2-SD 4.19Å; I7-L41 HydrophobicContact CD1-CB 3.72Å; I7-L41 HydrophobicContact CD1-CD2 4.01Å; I7-L41 HydrophobicContact CD1-CG 3.85Å; I7-L41 HydrophobicContact CG2-CD2 4.01Å; I7-V42 HydrophobicContact CD1-CB 4.19Å; I7-V42 HydrophobicContact CD1-CG2 3.24Å; I7-V42 HydrophobicContact CG1-CG2 3.56Å
8I74.7Confident74.4Confident74 Ų7484.7 Ų84.738%0.37947%0.47SS..EExtended strand (participates in β ladder)trans-90.4126.8162.3-56.8-174.6000108I75 F91 T93 H94I8-I75 HydrophobicContact CG2-CD1 4.41Å; I8-F91 HydrophobicContact CB-CD1 3.8Å; I8-F91 HydrophobicContact CB-CE1 3.47Å; I8-F91 VanDerWaalsContact CB-CE1 3.47Å; I8-F91 HydrophobicContact CB-CZ 4.39Å; I8-F91 HydrophobicContact CD1-CD1 3.52Å; I8-F91 HydrophobicContact CD1-CD2 4.2Å; I8-F91 HydrophobicContact CD1-CE1 3.35Å; I8-F91 HydrophobicContact CD1-CE2 4.03Å; I8-F91 HydrophobicContact CD1-CG 3.96Å; I8-F91 HydrophobicContact CD1-CZ 3.61Å; I8-F91 HydrophobicContact CG1-CD1 3.87Å; I8-F91 HydrophobicContact CG1-CE1 3.3Å; I8-F91 HydrophobicContact CG1-CZ 3.74Å; I8-T93 HydrophobicContact CB-CG2 3.79Å; I8-T93 HydrophobicContact CG2-CG2 3.54Å; I8-T93 CarbonylContact O-C 3.53Å; I8-T93 WeakPolarHBondContact O-CA 3.33Å; I8-T93 WeakPolarHBondContact O-CB 3.39Å; I8-H94 PolarHBondContact O-N 3.45Å; I8-H94 VanDerWaalsContact O-N 3.08Å
9S80Confident75.2Confident27 Ų2784.3 Ų84.319%0.18947%0.474CS..EExtended strand (participates in β ladder)trans-129.1139.8179.8-66.40000110.4I7 H94I7-S9 VanDerWaalsContact CG2-OG 3.26Å; I7-S9 WeakPolarHBondContact CG2-OG 3.44Å; S9-H94 CarbonylContact C-O 3.51Å; S9-H94 VanDerWaalsContact CA-O 3.25Å; S9-H94 WeakPolarHBondContact CA-O 3.47Å
10V84.4Confident76Confident66 Ų6687.8 Ų87.840%0.448%0.483SS..EExtended strand (participates in β ladder)trans-92.8117.8168.5-179.40000107.2I75 H94 L96V10-I75 HydrophobicContact CG2-CD1 3.7Å; V10-I75 HydrophobicContact CG2-CG1 4.37Å; V10-H94 PolarHBondContact N-O 3.29Å; V10-L96 PolarHBondContact O-N 2.68Å; V10-L96 VanDerWaalsContact O-O 3.14Å
11V88.4Confident76.6Confident43 Ų4389.1 Ų89.126%0.26149%0.488SS..EExtended strand (participates in β ladder)trans-103.9118.8179.3-166.50000109.8I13 L23 L65 L96 V98V11-I13 HydrophobicContact CG1-CD1 4.03Å; V11-I13 PolarHBondContact O-N 3.32Å; V11-L23 HydrophobicContact CB-CD1 4.28Å; V11-L23 HydrophobicContact CG1-CD1 4.05Å; V11-L23 HydrophobicContact CG2-CD1 4.24Å; V11-L65 HydrophobicContact CG1-CD1 3.87Å; V11-L96 CarbonylContact C-O 3.17Å; V11-L96 WeakPolarHBondContact CA-O 3.45Å; V11-L96 HydrophobicContact CG1-CB 4.33Å; V11-L96 HydrophobicContact CG2-CB 4.18Å; V11-L96 HydrophobicContact CG2-CD1 4.27Å; V11-V98 HydrophobicContact CG1-CG2 4.05Å
12Q88.2Confident78.9Confident95 Ų9582.8 Ų82.844%0.44446%0.457SS..EExtended strand (participates in β ladder)trans-77.8118.4170.1-67.1-177.5-30.800109.7L96 V98Q12-L96 PolarHBondContact N-O 2.76Å; Q12-V98 PolarHBondContact O-N 3.23Å
13I88.8Confident80.7Confident56 Ų5678.7 Ų78.729%0.28743%0.434SS..PPolyproline II helixtrans-96127.6178.4-57.8-60.2000109.1V11 Y17 L22 L23 V98V11-I13 HydrophobicContact CG1-CD1 4.03Å; V11-I13 PolarHBondContact O-N 3.32Å; I13-Y17 WeakPolarHBondContact CG2-O 3.19Å; I13-L22 HydrophobicContact CD1-CD1 4.26Å; I13-L22 HydrophobicContact CG2-CD1 4.15Å; I13-L23 HydrophobicContact CD1-CD1 4.02Å; I13-V98 HydrophobicContact CD1-CG2 4.34Å
14P86.2Confident82.7Confident32 Ų3274 Ų7421%0.20841%0.41CS..PPolyproline II helixtrans-65.4152.1177.924-32.6000111.8Y17 V98P14-Y17 HydrophobicContact CB-CD2 4.15Å; P14-Y17 HydrophobicContact CG-CD2 3.63Å; P14-Y17 HydrophobicContact CG-CE2 4.22Å; P14-Y17 HydrophobicContact CG-CG 4.22Å; P14-Y17 PolarHBondContact O-N 2.91Å; P14-V98 HydrophobicContact CG-CB 4.38Å; P14-V98 HydrophobicContact CG-CG1 4.32Å
15P86.4Confident84.3Confident130 Ų13070.6 Ų70.684%0.84440%0.395SS*.THydrogen-bonded Turntrans-54.2143.8174.4-24.233.7000112.2Y17P15-Y17 VanDerWaalsContact C-N 3.27Å; P15-Y17 WeakPolarHBondContact O-CD2 3.43Å; P15-Y17 PolarHBondContact O-N 3.32Å
16G87.2Confident85.7Confident75 Ų7572.1 Ų72.177%0.77341%0.411SS*.THydrogen-bonded Turntrans84.4-7.9-178.800000115
17Y88.4Confident86.9Confident41 Ų4168.4 Ų68.416%0.16140%0.4CS..  trans-112.1154174.8-62.7-92000111.4I13 P14 P15 L22 L63I13-Y17 WeakPolarHBondContact CG2-O 3.19Å; P14-Y17 HydrophobicContact CB-CD2 4.15Å; P14-Y17 HydrophobicContact CG-CD2 3.63Å; P14-Y17 HydrophobicContact CG-CE2 4.22Å; P14-Y17 HydrophobicContact CG-CG 4.22Å; P14-Y17 PolarHBondContact O-N 2.91Å; P15-Y17 VanDerWaalsContact C-N 3.27Å; P15-Y17 WeakPolarHBondContact O-CD2 3.43Å; P15-Y17 PolarHBondContact O-N 3.32Å; Y17-L22 HydrophobicContact CD1-CD1 4.17Å; Y17-L22 HydrophobicContact CD1-CD2 3.7Å; Y17-L22 HydrophobicContact CD1-CG 4.1Å; Y17-L22 HydrophobicContact CE1-CD2 4.25Å; Y17-L22 HydrophobicContact CG-CD1 4.01Å; Y17-L22 HydrophobicContact CG-CD2 4.38Å; Y17-L22 HydrophobicContact CG-CG 4.4Å; Y17-L63 HydrophobicContact CD1-CD1 4.06Å; Y17-L63 HydrophobicContact CE1-CD1 3.61Å; Y17-L63 HydrophobicContact CE2-CD1 4.34Å
18T90.3Very high88Confident72 Ų7271.3 Ų71.344%0.44242%0.421SS..  trans-111.9155.5170.566.30000110.1K20 M21 L22T18-K20 PolarHBondContact O-N 3.3Å; T18-M21 HydrophobicContact CG2-SD 4.29Å; T18-M21 PolarHBondContact O-N 3.49Å; T18-M21 VanDerWaalsContact O-N 3.07Å; T18-M21 WeakPolarHBondContact OG1-CG 2.99Å; T18-M21 PolarHBondContact OG1-N 3.17Å; T18-M21 VanDerWaalsContact OG1-N 3.14Å; T18-L22 PolarHBondContact O-N 3.3Å
19S89.7Confident88.8Confident76 Ų7673.9 Ų73.953%0.53143%0.432SS..Hα-helixtrans-57.1-39173.554.40000111.5M21 L22 L23S19-M21 VanDerWaalsContact C-N 3.33Å; S19-M21 PolarHBondContact O-N 3.37Å; S19-L22 PolarHBondContact O-N 2.82Å; S19-L23 WeakPolarHBondContact O-CA 3.28Å; S19-L23 WeakPolarHBondContact O-CB 3.4Å; S19-L23 PolarHBondContact O-N 3.41Å
20K90.5Very high89.4Confident154 Ų15472.8 Ų72.867%0.6742%0.424SS*.Hα-helixtrans-63.8-33.6175.8-168.5176.7-178.9-178.80112.6T18 D24T18-K20 PolarHBondContact O-N 3.3Å; K20-D24 VanDerWaalsContact O-CB 3.32Å; K20-D24 WeakPolarHBondContact O-CB 2.94Å
21M89.7Confident89.7Confident116 Ų11672.8 Ų72.857%0.57142%0.419SS*.Hα-helixtrans-70.8-33.2176.2-73.9166.876.100113.1T18 S19T18-M21 HydrophobicContact CG2-SD 4.29Å; T18-M21 PolarHBondContact O-N 3.49Å; T18-M21 VanDerWaalsContact O-N 3.07Å; T18-M21 WeakPolarHBondContact OG1-CG 2.99Å; T18-M21 PolarHBondContact OG1-N 3.17Å; T18-M21 VanDerWaalsContact OG1-N 3.14Å; S19-M21 VanDerWaalsContact C-N 3.33Å; S19-M21 PolarHBondContact O-N 3.37Å
22L89.9Confident89.8Confident3 Ų377.3 Ų77.32%0.01644%0.436CS..Hα-helixtrans-101.6-32.2-169.4-64.6177.7000114.1I13 Y17 T18 S19 L53 T55 L63 V98I13-L22 HydrophobicContact CD1-CD1 4.26Å; I13-L22 HydrophobicContact CG2-CD1 4.15Å; Y17-L22 HydrophobicContact CD1-CD1 4.17Å; Y17-L22 HydrophobicContact CD1-CD2 3.7Å; Y17-L22 HydrophobicContact CD1-CG 4.1Å; Y17-L22 HydrophobicContact CE1-CD2 4.25Å; Y17-L22 HydrophobicContact CG-CD1 4.01Å; Y17-L22 HydrophobicContact CG-CD2 4.38Å; Y17-L22 HydrophobicContact CG-CG 4.4Å; T18-L22 PolarHBondContact O-N 3.3Å; S19-L22 PolarHBondContact O-N 2.82Å; L22-L53 HydrophobicContact CB-CD1 4.45Å; L22-L53 HydrophobicContact CD2-CD1 4.41Å; L22-T55 HydrophobicContact CD2-CG2 4.13Å; L22-L63 HydrophobicContact CD1-CD1 4.43Å; L22-L63 HydrophobicContact CD2-CD1 3.48Å; L22-L63 VanDerWaalsContact CD2-CD1 3.48Å; L22-V98 HydrophobicContact CD1-CB 4.41Å; L22-V98 HydrophobicContact CD1-CG1 4.06Å; L22-V98 HydrophobicContact CD1-CG2 4.35Å
23L90.9Very high90.1Very high34 Ų3473.9 Ų73.918%0.17842%0.419CS..SBendtrans-12930.1-167.2-51.5174.4000111.2V11 I13 S19 T25 L34 L53V11-L23 HydrophobicContact CB-CD1 4.28Å; V11-L23 HydrophobicContact CG1-CD1 4.05Å; V11-L23 HydrophobicContact CG2-CD1 4.24Å; I13-L23 HydrophobicContact CD1-CD1 4.02Å; S19-L23 WeakPolarHBondContact O-CA 3.28Å; S19-L23 WeakPolarHBondContact O-CB 3.4Å; S19-L23 PolarHBondContact O-N 3.41Å; L23-T25 PolarHBondContact O-N 2.92Å; L23-T25 VanDerWaalsContact O-N 3.08Å; L23-L34 HydrophobicContact CB-CD1 4.46Å; L23-L34 HydrophobicContact CD2-CD2 4Å; L23-L53 HydrophobicContact CD2-CD2 4.08Å
24D90.4Very high90.2Very high48 Ų4872.5 Ų72.526%0.25741%0.412SS..  trans-63.7107.9178.2-164.3-2.3000111.6K20 C26 N27 V30K20-D24 VanDerWaalsContact O-CB 3.32Å; K20-D24 WeakPolarHBondContact O-CB 2.94Å; D24-C26 PolarHBondContact O-N 3.15Å; D24-C26 VanDerWaalsContact OD1-CB 3.26Å; D24-C26 WeakPolarHBondContact OD1-CB 3.11Å; D24-C26 PolarHBondContact OD1-N 2.94Å; D24-N27 HydrophobicContact CB-CB 4.36Å; D24-N27 PolarHBondContact O-N 2.88Å; D24-N27 VanDerWaalsContact O-N 3.11Å; D24-V30 WeakPolarHBondContact O-CB 3.28Å; D24-V30 WeakPolarHBondContact O-CG1 3.25Å
25T89.5Confident90.4Very high91 Ų9177 Ų7756%0.55843%0.425SS*.THydrogen-bonded Turntrans-73-9.4175.454.60000112.9L23 N27 L34L23-T25 PolarHBondContact O-N 2.92Å; L23-T25 VanDerWaalsContact O-N 3.08Å; T25-N27 VanDerWaalsContact C-N 3.27Å; T25-L34 HydrophobicContact CG2-CD1 4.16Å
26C90.8Very high90.6Very high109 Ų10975.4 Ų75.474%0.73641%0.405SS*.THydrogen-bonded Turntrans-75-17.4168.6-64.10000112.4D24 P28D24-C26 PolarHBondContact O-N 3.15Å; D24-C26 VanDerWaalsContact OD1-CB 3.26Å; D24-C26 WeakPolarHBondContact OD1-CB 3.11Å; D24-C26 PolarHBondContact OD1-N 2.94Å; C26-P28 WeakPolarHBondContact O-CD 3.45Å
27N91.4Very high90.8Very high58 Ų5871.9 Ų71.931%0.3137%0.368SS..SBendtrans-86.3116.9172-179.7-24.5000110.3D24 T25 Q29 V30 E31D24-N27 HydrophobicContact CB-CB 4.36Å; D24-N27 PolarHBondContact O-N 2.88Å; D24-N27 VanDerWaalsContact O-N 3.11Å; T25-N27 VanDerWaalsContact C-N 3.27Å; N27-Q29 VanDerWaalsContact C-N 3.25Å; N27-Q29 PolarHBondContact O-N 3.41Å; N27-Q29 VanDerWaalsContact O-N 3.16Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.29Å; N27-Q29 PolarHBondContact OD1-N 3.39Å; N27-V30 HydrophobicContact CB-CB 4.11Å; N27-V30 HydrophobicContact CB-CG2 3.96Å; N27-V30 PolarHBondContact O-N 2.61Å; N27-V30 VanDerWaalsContact O-N 3.13Å; N27-E31 PolarHBondContact O-N 2.82Å
28P92.1Very high90.8Very high97 Ų9771.8 Ų71.863%0.6337%0.37SS*.Hα-helixtrans-60-30.1-176.7-24.834.2000114.6C26 K32C26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-K32 VanDerWaalsContact O-CB 3.22Å; P28-K32 WeakPolarHBondContact O-CB 3.42Å; P28-K32 PolarHBondContact O-N 3.28Å
29Q92.1Very high90.7Very high128 Ų12874.9 Ų74.960%0.59838%0.377SS*.Hα-helixtrans-70.7-43.7178.2-65-171.7-18.600111.1N27 F33 P54N27-Q29 VanDerWaalsContact C-N 3.25Å; N27-Q29 PolarHBondContact O-N 3.41Å; N27-Q29 VanDerWaalsContact O-N 3.16Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.29Å; N27-Q29 PolarHBondContact OD1-N 3.39Å; Q29-F33 VanDerWaalsContact O-CB 3.3Å; Q29-F33 WeakPolarHBondContact O-CB 3.33Å; Q29-F33 PolarHBondContact O-N 3.03Å; Q29-P54 HydrophobicContact CB-CB 4.22Å; Q29-P54 HydrophobicContact CB-CG 4.36Å
30V91.5Very high90.6Very high4 Ų475.3 Ų75.32%0.02437%0.367CS..Hα-helixtrans-66.7-44.7177.2177.10000110.1D24 N27 K32 F33 L34 P54D24-V30 WeakPolarHBondContact O-CB 3.28Å; D24-V30 WeakPolarHBondContact O-CG1 3.25Å; N27-V30 HydrophobicContact CB-CB 4.11Å; N27-V30 HydrophobicContact CB-CG2 3.96Å; N27-V30 PolarHBondContact O-N 2.61Å; N27-V30 VanDerWaalsContact O-N 3.13Å; V30-K32 PolarHBondContact O-N 3.36Å; V30-F33 WeakPolarHBondContact O-CB 3.47Å; V30-F33 PolarHBondContact O-N 2.87Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.18Å; V30-P54 HydrophobicContact CG2-CG 4.03Å
31E90.9Very high90.4Very high66 Ų6668 Ų6831%0.30834%0.335SS..Hα-helixtrans-59.2-48.7176.6-165.8-159161.300111.8N27 F33 L34 R35N27-E31 PolarHBondContact O-N 2.82Å; E31-F33 VanDerWaalsContact C-N 3.3Å; E31-F33 PolarHBondContact O-N 2.73Å; E31-L34 PolarHBondContact O-N 3.37Å; E31-R35 WeakPolarHBondContact O-CG 3.3Å; E31-R35 PolarHBondContact O-N 3Å; E31-R35 IonicContact OE1-CZ 3.16Å; E31-R35 IonicContact OE1-NE 2.68Å; E31-R35 PolarHBondContact OE1-NE 2.98Å; E31-R35 IonicContact OE1-NH2 2.67Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å
32K91.9Very high90.1Very high138 Ų13865.8 Ų65.860%0.633%0.328SS*.Hα-helixtrans-60.3-40.8176.4-176.1178.3-177.7177.90111.7P28 V30 K36P28-K32 VanDerWaalsContact O-CB 3.22Å; P28-K32 WeakPolarHBondContact O-CB 3.42Å; P28-K32 PolarHBondContact O-N 3.28Å; V30-K32 PolarHBondContact O-N 3.36Å; K32-K36 WeakPolarHBondContact O-CG 3.29Å; K32-K36 PolarHBondContact O-N 3.26Å; K32-K36 VanDerWaalsContact O-N 3.14Å
33F93Very high90Very high23 Ų2372.9 Ų72.910%0.10136%0.359CS..Hα-helixtrans-60.3-52.6174.5169.4-88.1000111.3Q29 V30 E31 R35 K36 F37 R51 V52 L53 P54 L65Q29-F33 VanDerWaalsContact O-CB 3.3Å; Q29-F33 WeakPolarHBondContact O-CB 3.33Å; Q29-F33 PolarHBondContact O-N 3.03Å; V30-F33 WeakPolarHBondContact O-CB 3.47Å; V30-F33 PolarHBondContact O-N 2.87Å; E31-F33 VanDerWaalsContact C-N 3.3Å; E31-F33 PolarHBondContact O-N 2.73Å; F33-R35 PolarHBondContact O-N 2.83Å; F33-K36 PolarHBondContact O-N 3.4Å; F33-K36 VanDerWaalsContact O-N 3.16Å; F33-F37 HydrophobicContact CE1-CB 4.36Å; F33-F37 HydrophobicContact CE1-CD2 4.36Å; F33-F37 HydrophobicContact CZ-CD2 4.06Å; F33-F37 WeakPolarHBondContact O-CB 3.25Å; F33-F37 PolarHBondContact O-N 2.81Å; F33-R51 HydrophobicContact CE2-CB 3.53Å; F33-R51 HydrophobicContact CZ-CB 3.77Å; F33-V52 WeakPolarHBondContact CE2-O 3.31Å; F33-L53 HydrophobicContact CD1-CD2 4.04Å; F33-L53 HydrophobicContact CE1-CD2 3.48Å; F33-L53 VanDerWaalsContact CE1-CD2 3.48Å; F33-L53 HydrophobicContact CE1-CG 4.5Å; F33-L53 HydrophobicContact CZ-CD2 3.95Å; F33-P54 HydrophobicContact CB-CG 3.77Å; F33-P54 HydrophobicContact CD2-CG 4.46Å; F33-P54 HydrophobicContact CG-CG 4.12Å; F33-L65 HydrophobicContact CE1-CB 4.14Å; F33-L65 HydrophobicContact CE1-CD2 3.93Å; F33-L65 HydrophobicContact CZ-CB 4.07Å
34L91Very high89.7Confident27 Ų2777.2 Ų77.214%0.14138%0.377CS..Hα-helixtrans-61.4-43.5-178-70174.8000111.3L23 T25 V30 E31 K36 F37 M38 L65L23-L34 HydrophobicContact CB-CD1 4.46Å; L23-L34 HydrophobicContact CD2-CD2 4Å; T25-L34 HydrophobicContact CG2-CD1 4.16Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.18Å; E31-L34 PolarHBondContact O-N 3.37Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.11Å; L34-F37 PolarHBondContact O-N 2.99Å; L34-M38 WeakPolarHBondContact O-CB 3.16Å; L34-M38 VanDerWaalsContact O-CG 3.29Å; L34-M38 WeakPolarHBondContact O-CG 3.46Å; L34-M38 PolarHBondContact O-N 2.87Å; L34-L65 HydrophobicContact CD2-CD2 4.07Å
35R90.3Very high89.2Confident126 Ų12678.2 Ų78.248%0.47539%0.386SS..Hα-helixtrans-57.6-45.5174.9-72.6178.1-177.4-79.31.7111.9M1 E31 F33 K39M1-R35 HydrophobicContact CE-CG 4.31Å; E31-R35 WeakPolarHBondContact O-CG 3.3Å; E31-R35 PolarHBondContact O-N 3Å; E31-R35 IonicContact OE1-CZ 3.16Å; E31-R35 IonicContact OE1-NE 2.68Å; E31-R35 PolarHBondContact OE1-NE 2.98Å; E31-R35 IonicContact OE1-NH2 2.67Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å; F33-R35 PolarHBondContact O-N 2.83Å; R35-K39 VanDerWaalsContact O-CB 3.23Å; R35-K39 WeakPolarHBondContact O-CB 2.93Å; R35-K39 PolarHBondContact O-N 3.08Å
36K91.1Very high88.7Confident98 Ų9876.3 Ų76.343%0.42638%0.384SS..Hα-helixtrans-65.8-43.3176.5-77.5-176.1175-171.60112.1K32 F33 L34 R40 E112K32-K36 WeakPolarHBondContact O-CG 3.29Å; K32-K36 PolarHBondContact O-N 3.26Å; K32-K36 VanDerWaalsContact O-N 3.14Å; F33-K36 PolarHBondContact O-N 3.4Å; F33-K36 VanDerWaalsContact O-N 3.16Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.11Å; K36-R40 PolarHBondContact O-N 3.04Å; K36-R40 VanDerWaalsContact O-N 3.13Å; K36-E112 IonicContact NZ-OE2 2.81Å
37F91.4Very high88.3Confident0 Ų072.7 Ų72.70%036%0.362CS..Hα-helixtrans-60.8-52.1-179.9-171.5-84.1000110.9F33 L34 R40 L41 F49 R51 L65 V67 L96F33-F37 HydrophobicContact CE1-CB 4.36Å; F33-F37 HydrophobicContact CE1-CD2 4.36Å; F33-F37 HydrophobicContact CZ-CD2 4.06Å; F33-F37 WeakPolarHBondContact O-CB 3.25Å; F33-F37 PolarHBondContact O-N 2.81Å; L34-F37 PolarHBondContact O-N 2.99Å; F37-R40 WeakPolarHBondContact O-CB 3.35Å; F37-R40 PolarHBondContact O-N 3.27Å; F37-R40 VanDerWaalsContact O-N 3.16Å; F37-L41 PolarHBondContact O-N 2.96Å; F37-L41 VanDerWaalsContact O-N 3.08Å; F37-F49 HydrophobicContact CD1-CE2 4.37Å; F37-F49 HydrophobicContact CD2-CD2 4.46Å; F37-F49 AromaticContact CD2-CE2 3.78Å; F37-F49 HydrophobicContact CD2-CE2 3.78Å; F37-F49 HydrophobicContact CE1-CE2 4.08Å; F37-F49 HydrophobicContact CE1-CZ 4.3Å; F37-F49 AromaticContact CE2-CD2 3.89Å; F37-F49 HydrophobicContact CE2-CD2 3.89Å; F37-F49 AromaticContact CE2-CE2 3.45Å; F37-F49 HydrophobicContact CE2-CE2 3.45Å; F37-F49 VanDerWaalsContact CE2-CE2 3.45Å; F37-F49 HydrophobicContact CE2-CZ 4.42Å; F37-F49 HydrophobicContact CG-CE2 4.22Å; F37-F49 HydrophobicContact CZ-CD2 4.22Å; F37-F49 AromaticContact CZ-CE2 3.61Å; F37-F49 HydrophobicContact CZ-CE2 3.61Å; F37-F49 HydrophobicContact CZ-CZ 4.19Å; F37-R51 HydrophobicContact CD2-CB 4.15Å; F37-R51 HydrophobicContact CD2-CG 4.24Å; F37-R51 HydrophobicContact CE2-CB 4.37Å; F37-R51 HydrophobicContact CE2-CG 4.49Å; F37-L65 HydrophobicContact CD1-CD2 3.74Å; F37-L65 HydrophobicContact CD1-CG 4.48Å; F37-L65 HydrophobicContact CD2-CB 4.49Å; F37-L65 HydrophobicContact CD2-CD2 4.09Å; F37-L65 HydrophobicContact CD2-CG 4.46Å; F37-L65 HydrophobicContact CE1-CD2 3.74Å; F37-L65 HydrophobicContact CE1-CG 4.02Å; F37-L65 HydrophobicContact CE2-CB 4.07Å; F37-L65 HydrophobicContact CE2-CD2 4.08Å; F37-L65 HydrophobicContact CE2-CG 3.99Å; F37-L65 VanDerWaalsContact CE2-O 3.24Å; F37-L65 WeakPolarHBondContact CE2-O 3.4Å; F37-L65 HydrophobicContact CG-CD2 3.92Å; F37-L65 HydrophobicContact CZ-CB 4.31Å; F37-L65 HydrophobicContact CZ-CD2 3.92Å; F37-L65 HydrophobicContact CZ-CG 3.75Å; F37-V67 HydrophobicContact CE1-CG2 4.23Å; F37-V67 HydrophobicContact CZ-CG2 3.93Å; F37-L96 HydrophobicContact CE1-CD1 3.92Å; F37-L96 HydrophobicContact CE1-CD2 3.99Å; F37-L96 HydrophobicContact CZ-CD2 4.43Å
38M89.1Confident88Confident40 Ų4072.9 Ų72.920%0.19736%0.362CS..Hα-helixtrans-65.2-41.5179.3-63.6-54.7-17800111.9I7 L34 R40 L41 V42 L96I7-M38 HydrophobicContact CB-SD 4.46Å; I7-M38 HydrophobicContact CD1-CB 4.25Å; I7-M38 VanDerWaalsContact CD1-O 3.28Å; I7-M38 WeakPolarHBondContact CD1-O 3.49Å; I7-M38 HydrophobicContact CD1-SD 4.5Å; I7-M38 HydrophobicContact CG2-SD 4.19Å; L34-M38 WeakPolarHBondContact O-CB 3.16Å; L34-M38 VanDerWaalsContact O-CG 3.29Å; L34-M38 WeakPolarHBondContact O-CG 3.46Å; L34-M38 PolarHBondContact O-N 2.87Å; M38-R40 PolarHBondContact O-N 2.83Å; M38-L41 WeakPolarHBondContact O-CA 3.24Å; M38-L41 WeakPolarHBondContact O-CB 3.26Å; M38-L41 PolarHBondContact O-N 2.86Å; M38-L41 HydrophobicContact SD-CD2 4.21Å; M38-V42 PolarHBondContact O-N 3.04Å; M38-L96 HydrophobicContact CE-CD1 3.7Å; M38-L96 HydrophobicContact SD-CD1 4.35Å
39K88Confident87.9Confident136 Ų13668.4 Ų68.459%0.59133%0.333SS*.Hα-helixtrans-57.6-34.3174.5-173.4173-172170.90112.5R35 K43R35-K39 VanDerWaalsContact O-CB 3.23Å; R35-K39 WeakPolarHBondContact O-CB 2.93Å; R35-K39 PolarHBondContact O-N 3.08Å; K39-K43 WeakPolarHBondContact O-CG 3.38Å; K39-K43 PolarHBondContact O-N 2.94Å
40R88Confident87.7Confident86 Ų8662.3 Ų62.333%0.32531%0.305SS..Hα-helixtrans-71.4-39.7175.1-173.3175.9-177.8119.77.6111.7K36 F37 M38 K43 K44 F49K36-R40 PolarHBondContact O-N 3.04Å; K36-R40 VanDerWaalsContact O-N 3.13Å; F37-R40 WeakPolarHBondContact O-CB 3.35Å; F37-R40 PolarHBondContact O-N 3.27Å; F37-R40 VanDerWaalsContact O-N 3.16Å; M38-R40 PolarHBondContact O-N 2.83Å; R40-K43 PolarHBondContact O-N 3.37Å; R40-K44 PolarHBondContact O-N 2.93Å; R40-K44 VanDerWaalsContact O-N 3.11Å; R40-F49 HydrophobicContact CB-CE2 4.29Å; R40-F49 HydrophobicContact CB-CZ 4.01Å; R40-F49 HydrophobicContact CG-CE1 4.17Å; R40-F49 HydrophobicContact CG-CE2 4.18Å; R40-F49 HydrophobicContact CG-CZ 3.91Å
41L86Confident87.7Confident0 Ų063.1 Ų63.10%031%0.307CS..Hα-helixtrans-62.2-44.7176.3-172.456.3000111.5I7 F37 M38 K43 K44 P45 F49 V67 H94 L96I7-L41 HydrophobicContact CD1-CB 3.72Å; I7-L41 HydrophobicContact CD1-CD2 4.01Å; I7-L41 HydrophobicContact CD1-CG 3.85Å; I7-L41 HydrophobicContact CG2-CD2 4.01Å; F37-L41 PolarHBondContact O-N 2.96Å; F37-L41 VanDerWaalsContact O-N 3.08Å; M38-L41 WeakPolarHBondContact O-CA 3.24Å; M38-L41 WeakPolarHBondContact O-CB 3.26Å; M38-L41 PolarHBondContact O-N 2.86Å; M38-L41 HydrophobicContact SD-CD2 4.21Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.94Å; L41-K44 CarbonylContact O-C 3.6Å; L41-K44 PolarHBondContact O-N 2.93Å; L41-P45 VanDerWaalsContact O-CA 3.25Å; L41-P45 WeakPolarHBondContact O-CA 3.28Å; L41-F49 HydrophobicContact CB-CE1 4.46Å; L41-F49 HydrophobicContact CB-CZ 4.07Å; L41-F49 HydrophobicContact CD1-CE1 4.19Å; L41-F49 HydrophobicContact CD1-CZ 4.45Å; L41-V67 HydrophobicContact CD1-CG1 4.31Å; L41-V67 HydrophobicContact CD1-CG2 3.97Å; L41-H94 HydrophobicContact CD2-CB 3.85Å; L41-L96 HydrophobicContact CD2-CD2 4.2Å
42V83.8Confident87.7Confident70 Ų7063.1 Ų63.142%0.42431%0.312SS..Hα-helixtrans-56.7-45.2174.4178.50000110.8I7 M38 K44I7-V42 HydrophobicContact CD1-CB 4.19Å; I7-V42 HydrophobicContact CD1-CG2 3.24Å; I7-V42 HydrophobicContact CG1-CG2 3.56Å; M38-V42 PolarHBondContact O-N 3.04Å; V42-K44 VanDerWaalsContact C-N 3.29Å; V42-K44 PolarHBondContact O-N 3.02Å
43K86.1Confident87.6Confident151 Ų15156.9 Ų56.966%0.65729%0.285SS*.Hα-helixtrans-68.2-27.4-177.2-75-179.3176-164.90113.5K39 R40 L41K39-K43 WeakPolarHBondContact O-CG 3.38Å; K39-K43 PolarHBondContact O-N 2.94Å; R40-K43 PolarHBondContact O-N 3.37Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.94Å
44K84.8Confident87.3Confident126 Ų12657.6 Ų57.655%0.54829%0.292SS..  trans-144.969.4-174.6-63.7-170.2177.7-173.20110.2R40 L41 V42 G46 A47R40-K44 PolarHBondContact O-N 2.93Å; R40-K44 VanDerWaalsContact O-N 3.11Å; L41-K44 CarbonylContact O-C 3.6Å; L41-K44 PolarHBondContact O-N 2.93Å; V42-K44 VanDerWaalsContact C-N 3.29Å; V42-K44 PolarHBondContact O-N 3.02Å; K44-G46 PolarHBondContact O-N 3.29Å; K44-A47 HydrophobicContact CB-CB 3.77Å; K44-A47 WeakPolarHBondContact O-CB 3.47Å; K44-A47 PolarHBondContact O-N 2.91Å
45P80Confident86.6Confident69 Ų6957.8 Ų57.845%0.44829%0.294SS..THydrogen-bonded Turntrans-63.3-27.8-171.222.9-33.3000113.5L41L41-P45 VanDerWaalsContact O-CA 3.25Å; L41-P45 WeakPolarHBondContact O-CA 3.28Å
46G79.3Confident85.2Confident50 Ų5057.4 Ų57.452%0.51531%0.311SS..THydrogen-bonded Turntrans-89.42.4176.900000115.3K44 C70K44-G46 PolarHBondContact O-N 3.29Å; G46-C70 PolarHBondContact O-SG 2.8Å
47A82.9Confident83.8Confident34 Ų3454.2 Ų54.228%0.28130%0.301SS..  trans-89.6128.3-178.900000111.4K44 F49K44-A47 HydrophobicContact CB-CB 3.77Å; K44-A47 WeakPolarHBondContact O-CB 3.47Å; K44-A47 PolarHBondContact O-N 2.91Å; A47-F49 HydrophobicContact CB-CD1 4.45Å; A47-F49 WeakPolarHBondContact O-CD1 3.33Å
48L85.8Confident82.2Confident61 Ų6162.4 Ų62.432%0.31934%0.344SS..  trans-78.6129.1166.7-57176.8000109.3V67L48-V67 HydrophobicContact CD2-CG1 4.28Å; L48-V67 WeakPolarHBondContact CD2-O 3.39Å
49F88.5Confident80.9Confident4 Ų467.4 Ų67.42%0.01837%0.368CS..  trans-155.5156.9173.662.3-87.3000110.9F37 R40 L41 A47 V67 I110F37-F49 HydrophobicContact CD1-CE2 4.37Å; F37-F49 HydrophobicContact CD2-CD2 4.46Å; F37-F49 AromaticContact CD2-CE2 3.78Å; F37-F49 HydrophobicContact CD2-CE2 3.78Å; F37-F49 HydrophobicContact CE1-CE2 4.08Å; F37-F49 HydrophobicContact CE1-CZ 4.3Å; F37-F49 AromaticContact CE2-CD2 3.89Å; F37-F49 HydrophobicContact CE2-CD2 3.89Å; F37-F49 AromaticContact CE2-CE2 3.45Å; F37-F49 HydrophobicContact CE2-CE2 3.45Å; F37-F49 VanDerWaalsContact CE2-CE2 3.45Å; F37-F49 HydrophobicContact CE2-CZ 4.42Å; F37-F49 HydrophobicContact CG-CE2 4.22Å; F37-F49 HydrophobicContact CZ-CD2 4.22Å; F37-F49 AromaticContact CZ-CE2 3.61Å; F37-F49 HydrophobicContact CZ-CE2 3.61Å; F37-F49 HydrophobicContact CZ-CZ 4.19Å; R40-F49 HydrophobicContact CB-CE2 4.29Å; R40-F49 HydrophobicContact CB-CZ 4.01Å; R40-F49 HydrophobicContact CG-CE1 4.17Å; R40-F49 HydrophobicContact CG-CE2 4.18Å; R40-F49 HydrophobicContact CG-CZ 3.91Å; L41-F49 HydrophobicContact CB-CE1 4.46Å; L41-F49 HydrophobicContact CB-CZ 4.07Å; L41-F49 HydrophobicContact CD1-CE1 4.19Å; L41-F49 HydrophobicContact CD1-CZ 4.45Å; A47-F49 HydrophobicContact CB-CD1 4.45Å; A47-F49 WeakPolarHBondContact O-CD1 3.33Å; F49-V67 HydrophobicContact CD1-CG2 3.97Å; F49-V67 HydrophobicContact CE1-CG2 3.69Å; F49-V67 HydrophobicContact CE2-CG2 4.26Å; F49-V67 HydrophobicContact CG-CG2 4.37Å; F49-V67 HydrophobicContact CZ-CG2 3.84Å; F49-V67 PolarHBondContact O-N 2.85Å; F49-I110 HydrophobicContact CB-CD1 4.1Å
50S89.3Confident79.8Confident0 Ų064.1 Ų64.10%037%0.372CS..EExtended strand (participates in β ladder)trans-127.4154.6172.7640000111.8L65 C66 V108S50-L65 CarbonylContact C-O 3.53Å; S50-L65 VanDerWaalsContact CA-O 3.26Å; S50-L65 WeakPolarHBondContact CA-O 3.38Å; S50-C66 WeakPolarHBondContact CB-SG 3.49Å; S50-V108 PolarHBondContact N-O 3.34Å
51R90.5Very high78.9Confident20 Ų2062.7 Ų62.78%0.07537%0.371CS..EExtended strand (participates in β ladder)trans-143.2138.8170.4-68-165.2156.9-162-8.1111.7F33 F37 L53 S64 L65 E112F33-R51 HydrophobicContact CE2-CB 3.53Å; F33-R51 HydrophobicContact CZ-CB 3.77Å; F37-R51 HydrophobicContact CD2-CB 4.15Å; F37-R51 HydrophobicContact CD2-CG 4.24Å; F37-R51 HydrophobicContact CE2-CB 4.37Å; F37-R51 HydrophobicContact CE2-CG 4.49Å; R51-L53 PolarHBondContact O-N 3.31Å; R51-S64 CarbonylContact O-C 3.57Å; R51-S64 VanDerWaalsContact O-CA 3.24Å; R51-S64 WeakPolarHBondContact O-CA 3.35Å; R51-L65 PolarHBondContact N-O 3.18Å; R51-L65 PolarHBondContact O-N 2.76Å; R51-E112 IonicContact CZ-OE1 3.05Å; R51-E112 IonicContact CZ-OE2 3.91Å; R51-E112 IonicContact NH1-OE1 2.76Å; R51-E112 PolarHBondContact NH1-OE1 3.3Å; R51-E112 IonicContact NH1-OE2 3.28Å; R51-E112 PolarHBondContact NH1-OE2 3.33Å; R51-E112 VanDerWaalsContact NH2-CG 3.29Å; R51-E112 IonicContact NH2-OE1 3.75Å; R51-E112 PolarHBondContact NH2-OE1 3.35Å
52V90.4Very high78.8Confident67 Ų6765.6 Ų65.641%0.40639%0.392SS..EExtended strand (participates in β ladder)trans-63.3128.2176.4-178.20000110.1F33 L63F33-V52 WeakPolarHBondContact CE2-O 3.31Å; V52-L63 CarbonylContact C-O 3.52Å; V52-L63 WeakPolarHBondContact CA-O 3.32Å
53L89.9Confident79Confident7 Ų762.6 Ų62.64%0.03737%0.373CS..  trans-69139.2175.7-75.5168.2000110.2L22 L23 F33 R51 T55 L63 L65 V98L22-L53 HydrophobicContact CB-CD1 4.45Å; L22-L53 HydrophobicContact CD2-CD1 4.41Å; L23-L53 HydrophobicContact CD2-CD2 4.08Å; F33-L53 HydrophobicContact CD1-CD2 4.04Å; F33-L53 HydrophobicContact CE1-CD2 3.48Å; F33-L53 VanDerWaalsContact CE1-CD2 3.48Å; F33-L53 HydrophobicContact CE1-CG 4.5Å; F33-L53 HydrophobicContact CZ-CD2 3.95Å; R51-L53 PolarHBondContact O-N 3.31Å; L53-T55 HydrophobicContact CB-CG2 4.02Å; L53-T55 PolarHBondContact O-N 3.29Å; L53-L63 HydrophobicContact CD1-CB 4.09Å; L53-L63 PolarHBondContact N-O 2.98Å; L53-L65 HydrophobicContact CD2-CB 4.18Å; L53-L65 HydrophobicContact CG-CB 4.35Å; L53-V98 HydrophobicContact CD1-CB 4.49Å; L53-V98 HydrophobicContact CD1-CG1 3.63Å; L53-V98 HydrophobicContact CD1-CG2 4.03Å
54P87.4Confident79.2Confident38 Ų3855.4 Ų55.425%0.24734%0.342CS..  trans-81.357.2174.736.3-36.3000110.1Q29 V30 F33Q29-P54 HydrophobicContact CB-CB 4.22Å; Q29-P54 HydrophobicContact CB-CG 4.36Å; V30-P54 HydrophobicContact CG2-CG 4.03Å; F33-P54 HydrophobicContact CB-CG 3.77Å; F33-P54 HydrophobicContact CD2-CG 4.46Å; F33-P54 HydrophobicContact CG-CG 4.12Å
55T75.8Confident79.6Confident31 Ų3149.4 Ų49.419%0.1932%0.316CS..  trans-106.5129.3-179.350.80000109.9L22 L53 S57L22-T55 HydrophobicContact CD2-CG2 4.13Å; L53-T55 HydrophobicContact CB-CG2 4.02Å; L53-T55 PolarHBondContact O-N 3.29Å; T55-S57 PolarHBondContact O-N 2.82Å
56S62.3Low80Confident117 Ų11746.1 Ų46.182%0.81829%0.294SS*.  trans-7774.8165.5560000108.7
57S61Low80.5Confident32 Ų3243.8 Ų43.822%0.22427%0.27CS..  trans-81121171.461.50000109.1T55 Q59 G60 D61T55-S57 PolarHBondContact O-N 2.82Å; S57-Q59 PolarHBondContact O-N 3.03Å; S57-G60 PolarHBondContact O-N 2.88Å; S57-D61 PolarHBondContact OG-O 3.03Å
58D57.3Low80.3Confident171 Ų17144 Ų4491%0.91427%0.268SS*.THydrogen-bonded Turntrans-59.7-14.3175.8-60.5-36.5000113.3G60D58-G60 VanDerWaalsContact C-N 3.31Å; D58-G60 PolarHBondContact O-N 3.47Å
59Q62.6Low79.7Confident146 Ų14643.5 Ų43.568%0.68227%0.265SS*.THydrogen-bonded Turntrans-82.21.5-177.5-62.1-166.413.400114.8S57 D61S57-Q59 PolarHBondContact O-N 3.03Å; Q59-D61 PolarHBondContact O-N 3.09Å
60G63.6Low78.6Confident67 Ų6745.7 Ų45.769%0.69128%0.281SS*.  trans72-14.7173.300000116.4S57 D58S57-G60 PolarHBondContact O-N 2.88Å; D58-G60 VanDerWaalsContact C-N 3.31Å; D58-G60 PolarHBondContact O-N 3.47Å
61D70.7Confident77.7Confident55 Ų5552.7 Ų52.729%0.29431%0.313SS..PPolyproline II helixtrans-85119.6177.2-82.71.1000111.3S57 Q59 L63 K102S57-D61 PolarHBondContact OG-O 3.03Å; Q59-D61 PolarHBondContact O-N 3.09Å; D61-L63 PolarHBondContact O-N 3.06Å; D61-K102 VanDerWaalsContact CG-NZ 3.29Å; D61-K102 WeakPolarHBondContact OD1-CE 3.46Å; D61-K102 IonicContact OD1-NZ 3.06Å; D61-K102 PolarHBondContact OD1-NZ 3.14Å; D61-K102 IonicContact OD2-NZ 2.61Å; D61-K102 PolarHBondContact OD2-NZ 3.02Å
62S83.2Confident76.7Confident62 Ų6253.8 Ų53.843%0.43432%0.323SS..PPolyproline II helixtrans-69.3122.4174.2-65.40000110.3L101S62-L101 WeakPolarHBondContact O-CB 3.26Å; S62-L101 PolarHBondContact O-N 3.42Å
63L88.3Confident75.9Confident6 Ų652.5 Ų52.53%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-94.8142.8175.3-64.6176.2000110.7Y17 L22 V52 L53 D61 V98 R99Y17-L63 HydrophobicContact CD1-CD1 4.06Å; Y17-L63 HydrophobicContact CE1-CD1 3.61Å; Y17-L63 HydrophobicContact CE2-CD1 4.34Å; L22-L63 HydrophobicContact CD1-CD1 4.43Å; L22-L63 HydrophobicContact CD2-CD1 3.48Å; L22-L63 VanDerWaalsContact CD2-CD1 3.48Å; V52-L63 CarbonylContact C-O 3.52Å; V52-L63 WeakPolarHBondContact CA-O 3.32Å; L53-L63 HydrophobicContact CD1-CB 4.09Å; L53-L63 PolarHBondContact N-O 2.98Å; D61-L63 PolarHBondContact O-N 3.06Å; L63-V98 HydrophobicContact CB-CG1 3.86Å; L63-V98 HydrophobicContact CD1-CG1 4.04Å; L63-V98 HydrophobicContact CD2-CG1 4.33Å; L63-V98 HydrophobicContact CG-CG1 4.31Å; L63-R99 CarbonylContact C-O 3.52Å; L63-R99 WeakPolarHBondContact CA-O 3.32Å
64S90.2Very high75.5Confident0 Ų058.5 Ų58.50%034%0.339CS..EExtended strand (participates in β ladder)trans-117.9139175.8-67.40000110.5R51 V98 R99R51-S64 CarbonylContact O-C 3.57Å; R51-S64 VanDerWaalsContact O-CA 3.24Å; R51-S64 WeakPolarHBondContact O-CA 3.35Å; S64-V98 CarbonylContact O-C 3.48Å; S64-V98 VanDerWaalsContact O-CA 3.31Å; S64-V98 WeakPolarHBondContact O-CA 3.19Å; S64-R99 PolarHBondContact N-O 3.27Å; S64-R99 PolarHBondContact O-N 2.85Å
65L91.9Very high75.2Confident1 Ų160 Ų601%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-85.9122.6164.5-173.764.3000108.5V11 F33 L34 F37 S50 R51 L53 L96 V98V11-L65 HydrophobicContact CG1-CD1 3.87Å; F33-L65 HydrophobicContact CE1-CB 4.14Å; F33-L65 HydrophobicContact CE1-CD2 3.93Å; F33-L65 HydrophobicContact CZ-CB 4.07Å; L34-L65 HydrophobicContact CD2-CD2 4.07Å; F37-L65 HydrophobicContact CD1-CD2 3.74Å; F37-L65 HydrophobicContact CD1-CG 4.48Å; F37-L65 HydrophobicContact CD2-CB 4.49Å; F37-L65 HydrophobicContact CD2-CD2 4.09Å; F37-L65 HydrophobicContact CD2-CG 4.46Å; F37-L65 HydrophobicContact CE1-CD2 3.74Å; F37-L65 HydrophobicContact CE1-CG 4.02Å; F37-L65 HydrophobicContact CE2-CB 4.07Å; F37-L65 HydrophobicContact CE2-CD2 4.08Å; F37-L65 HydrophobicContact CE2-CG 3.99Å; F37-L65 VanDerWaalsContact CE2-O 3.24Å; F37-L65 WeakPolarHBondContact CE2-O 3.4Å; F37-L65 HydrophobicContact CG-CD2 3.92Å; F37-L65 HydrophobicContact CZ-CB 4.31Å; F37-L65 HydrophobicContact CZ-CD2 3.92Å; F37-L65 HydrophobicContact CZ-CG 3.75Å; S50-L65 CarbonylContact C-O 3.53Å; S50-L65 VanDerWaalsContact CA-O 3.26Å; S50-L65 WeakPolarHBondContact CA-O 3.38Å; R51-L65 PolarHBondContact N-O 3.18Å; R51-L65 PolarHBondContact O-N 2.76Å; L53-L65 HydrophobicContact CD2-CB 4.18Å; L53-L65 HydrophobicContact CG-CB 4.35Å; L65-L96 HydrophobicContact CD1-CB 4.01Å; L65-L96 HydrophobicContact CD1-CD1 4.45Å; L65-L96 HydrophobicContact CD2-CD1 4.37Å; L65-V98 HydrophobicContact CD1-CG2 3.9Å
66C89.9Confident75.6Confident0 Ų062.7 Ų62.70%036%0.362CS..EExtended strand (participates in β ladder)trans-121.5140.7-174.2-48.90000110.9S50 L96 S97S50-C66 WeakPolarHBondContact CB-SG 3.49Å; C66-L96 CarbonylContact O-C 3.57Å; C66-L96 VanDerWaalsContact O-CA 3.24Å; C66-L96 WeakPolarHBondContact O-CA 3.37Å; C66-S97 PolarHBondContact N-O 3.4Å; C66-S97 PolarHBondContact O-N 2.89Å
67V88.4Confident76.7Confident1 Ų161.6 Ų61.61%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-81114.8163.6-174.80000107.4F37 L41 L48 F49 L96F37-V67 HydrophobicContact CE1-CG2 4.23Å; F37-V67 HydrophobicContact CZ-CG2 3.93Å; L41-V67 HydrophobicContact CD1-CG1 4.31Å; L41-V67 HydrophobicContact CD1-CG2 3.97Å; L48-V67 HydrophobicContact CD2-CG1 4.28Å; L48-V67 WeakPolarHBondContact CD2-O 3.39Å; F49-V67 HydrophobicContact CD1-CG2 3.97Å; F49-V67 HydrophobicContact CE1-CG2 3.69Å; F49-V67 HydrophobicContact CE2-CG2 4.26Å; F49-V67 HydrophobicContact CG-CG2 4.37Å; F49-V67 HydrophobicContact CZ-CG2 3.84Å; F49-V67 PolarHBondContact O-N 2.85Å; V67-L96 HydrophobicContact CB-CD2 4.25Å; V67-L96 HydrophobicContact CG1-CD2 4.44Å; V67-L96 HydrophobicContact CG2-CD2 3.79Å
68T79.1Confident78Confident37 Ų3764.5 Ų64.523%0.22736%0.357CS..  trans-89.1-27.5-170.253.30000114.3R95 S97T68-R95 PolarHBondContact N-O 3.06Å; T68-R95 VanDerWaalsContact OG1-CB 3.29Å; T68-R95 WeakPolarHBondContact OG1-CB 3.46Å; T68-R95 PolarHBondContact OG1-O 3.06Å; T68-S97 VanDerWaalsContact CG2-CB 3.43Å; T68-S97 WeakPolarHBondContact CG2-OG 3.42Å
69D73.3Confident79.4Confident51 Ų5159.9 Ų59.927%0.27333%0.331SS..  trans-141.9144-173.9-165.3-7.2000109.5Q71D69-Q71 VanDerWaalsContact C-N 3.33Å; D69-Q71 PolarHBondContact OD1-N 3.43Å
70C66.3Low80.9Confident50 Ų5058.5 Ų58.534%0.33832%0.323SS..SBendtrans-82.8-17170-58.20000111.4G46G46-C70 PolarHBondContact O-SG 2.8Å
71Q69.8Low82Confident147 Ų14756.5 Ų56.569%0.68730%0.299SS*.SBendtrans-77123.6173.5-56.7-172.611.700109.1D69 P73D69-Q71 VanDerWaalsContact C-N 3.33Å; D69-Q71 PolarHBondContact OD1-N 3.43Å; Q71-P73 WeakPolarHBondContact O-CD 3.26Å
72T69.6Low83Confident44 Ų4460.2 Ų60.227%0.2733%0.33SS..  trans-73.7103.8173.3-57.50000108.3Y74 P92 T93T72-Y74 WeakPolarHBondContact O-CD2 3.38Å; T72-Y74 VanDerWaalsContact O-CE2 3.32Å; T72-Y74 WeakPolarHBondContact O-CE2 3.29Å; T72-P92 HydrophobicContact CG2-CB 3.42Å; T72-P92 VanDerWaalsContact CG2-CB 3.42Å; T72-T93 CarbonylContact C-O 3.6Å; T72-T93 VanDerWaalsContact CA-O 3.29Å; T72-T93 WeakPolarHBondContact CA-O 3.3Å; T72-T93 WeakPolarHBondContact CG2-O 3.34Å
73P72.5Confident83.6Confident39 Ų3962.5 Ų62.525%0.25334%0.337SS..  trans-58.9154.5165.427.5-41.5000111.2Q71 T93 R95Q71-P73 WeakPolarHBondContact O-CD 3.26Å; P73-T93 WeakPolarHBondContact CD-O 3.24Å; P73-T93 VanDerWaalsContact CG-O 3.25Å; P73-T93 WeakPolarHBondContact CG-O 3.5Å; P73-T93 VanDerWaalsContact CG-OG1 3.28Å; P73-T93 WeakPolarHBondContact CG-OG1 3.24Å; P73-T93 WeakPolarHBondContact O-CA 3.26Å; P73-T93 PolarHBondContact O-N 3.43Å; P73-T93 PolarHBondContact O-OG1 2.95Å; P73-R95 HydrophobicContact CB-CG 4.25Å; P73-R95 HydrophobicContact CG-CG 3.44Å; P73-R95 VanDerWaalsContact CG-CG 3.44Å
74Y81.6Confident83.8Confident134 Ų13465.8 Ų65.853%0.52536%0.361SS..EExtended strand (participates in β ladder)trans-112.1127.8174.4-66.4-88.8000110T72 Q90 F91 P92T72-Y74 WeakPolarHBondContact O-CD2 3.38Å; T72-Y74 VanDerWaalsContact O-CE2 3.32Å; T72-Y74 WeakPolarHBondContact O-CE2 3.29Å; Y74-Q90 HydrophobicContact CD1-CB 3.95Å; Y74-Q90 HydrophobicContact CG-CB 4.2Å; Y74-F91 CarbonylContact C-O 3.59Å; Y74-F91 VanDerWaalsContact CA-O 3.28Å; Y74-F91 WeakPolarHBondContact CA-O 3.39Å; Y74-P92 HydrophobicContact CD1-CB 4.29Å; Y74-P92 HydrophobicContact CE1-CB 3.94Å
75I81.1Confident83.9Confident69 Ų6967.5 Ų67.535%0.35437%0.373SS..EExtended strand (participates in β ladder)trans-92.1120.4170.1-62.4-178.4000107.7I8 V10 F91 T93I8-I75 HydrophobicContact CG2-CD1 4.41Å; V10-I75 HydrophobicContact CG2-CD1 3.7Å; V10-I75 HydrophobicContact CG2-CG1 4.37Å; I75-F91 PolarHBondContact N-O 2.85Å; I75-F91 PolarHBondContact O-N 3.34Å; I75-T93 HydrophobicContact CB-CG2 4.19Å; I75-T93 HydrophobicContact CD1-CG2 3.62Å; I75-T93 HydrophobicContact CG1-CG2 3.64Å
76P84.9Confident83.9Confident88 Ų8875.8 Ų75.857%0.57140%0.404SS*.EExtended strand (participates in β ladder)trans-68.6138.4172.929.5-33.2000109.8I88 R89P76-I88 HydrophobicContact CB-CG2 4.14Å; P76-R89 CarbonylContact C-O 3.55Å; P76-R89 VanDerWaalsContact CA-O 3.3Å; P76-R89 WeakPolarHBondContact CA-O 3.43Å
77Y84.8Confident83.9Confident93 Ų9379.4 Ų79.437%0.36542%0.421SS..EExtended strand (participates in β ladder)trans-136.7147.6171.367.4-83.5000109.9I79 R89 F91Y77-I79 HydrophobicContact CD2-CB 4.43Å; Y77-I79 HydrophobicContact CE2-CB 4.27Å; Y77-I79 HydrophobicContact CE2-CG2 4.42Å; Y77-R89 HydrophobicContact CD1-CB 4.26Å; Y77-R89 WeakPolarHBondContact CD1-O 3.06Å; Y77-R89 HydrophobicContact CD2-CB 4.46Å; Y77-R89 HydrophobicContact CE1-CB 3.64Å; Y77-R89 HydrophobicContact CE2-CB 3.87Å; Y77-R89 VanDerWaalsContact CZ-CB 3.42Å; Y77-R89 PolarHBondContact N-O 3.08Å; Y77-R89 PolarHBondContact O-N 3.27Å; Y77-F91 HydrophobicContact CD1-CB 3.85Å; Y77-F91 HydrophobicContact CE1-CB 3.74Å; Y77-F91 HydrophobicContact CE1-CD2 4.42Å
78V88.6Confident83.9Confident94 Ų9485.7 Ų85.757%0.5745%0.453SS*.EExtended strand (participates in β ladder)trans-97.6129.1-179.9179.90000108.2W86 H87 I88V78-W86 HydrophobicContact CG1-CB 4.5Å; V78-W86 HydrophobicContact CG1-CD2 4.3Å; V78-W86 HydrophobicContact CG1-CE3 3.44Å; V78-W86 VanDerWaalsContact CG1-CE3 3.44Å; V78-W86 HydrophobicContact CG1-CZ3 3.95Å; V78-H87 WeakPolarHBondContact CA-O 3.39Å; V78-I88 HydrophobicContact CG2-CG1 4.39Å
79I87.6Confident84.1Confident73 Ų7390.4 Ų90.437%0.37447%0.467SS..EExtended strand (participates in β ladder)trans-127.3137.8175.9-170.9168.5000109.9Y77 H87 R89Y77-I79 HydrophobicContact CD2-CB 4.43Å; Y77-I79 HydrophobicContact CE2-CB 4.27Å; Y77-I79 HydrophobicContact CE2-CG2 4.42Å; I79-H87 HydrophobicContact CG2-CB 4.13Å; I79-H87 PolarHBondContact N-O 2.83Å; I79-H87 PolarHBondContact O-N 2.76Å; I79-R89 HydrophobicContact CG2-CG 4.17Å
80K92.6Very high84.6Confident118 Ų11893.4 Ų93.451%0.51348%0.479SS..EExtended strand (participates in β ladder)trans-80.8126.6171.6-168.8175179.4179.50109.3W86K80-W86 HydrophobicContact CB-CD2 4.45Å; K80-W86 HydrophobicContact CB-CE3 3.94Å; K80-W86 HydrophobicContact CB-CH2 4.22Å; K80-W86 HydrophobicContact CB-CZ3 3.84Å; K80-W86 HydrophobicContact CD-CZ2 4.37Å
81A88.7Confident85.2Confident24 Ų2494 Ų9420%0.19848%0.476CS..  trans-82.8166.5174.400000112.1D83 S84 S85 H87A81-D83 WeakPolarHBondContact CB-OD1 3.4Å; A81-D83 PolarHBondContact O-N 3.16Å; A81-S84 PolarHBondContact O-N 3.18Å; A81-S85 WeakPolarHBondContact CB-OG 3.48Å; A81-S85 PolarHBondContact N-O 3.41Å; A81-H87 VanDerWaalsContact CB-CE1 3.49Å; A81-H87 WeakPolarHBondContact CB-CE1 3.38Å
82S91.7Very high85.7Confident134 Ų13490.1 Ų90.194%0.93746%0.464SS*.THydrogen-bonded Turntrans-62-27.4-178.951.90000113.4S84S82-S84 PolarHBondContact O-N 2.99Å
83D94.3Very high86.4Confident110 Ų11088.1 Ų88.159%0.58845%0.451SS*.THydrogen-bonded Turntrans-84.411.4176.364.6-5.2000113A81 S85A81-D83 WeakPolarHBondContact CB-OD1 3.4Å; A81-D83 PolarHBondContact O-N 3.16Å; D83-S85 PolarHBondContact O-N 2.88Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.23Å; D83-S85 PolarHBondContact OD1-N 3.06Å; D83-S85 PolarHBondContact OD1-OG 3.36Å; D83-S85 PolarHBondContact OD2-OG 3.28Å
84S92Very high86.9Confident74 Ų7487.3 Ų87.352%0.51744%0.444SS..SBendtrans65.67.9-174.1-59.50000116.2A81 S82A81-S84 PolarHBondContact O-N 3.18Å; S82-S84 PolarHBondContact O-N 2.99Å
85S92.3Very high87.1Confident37 Ų3785.9 Ų85.926%0.25944%0.438SS..  trans-73.2159.7168.9700000111.6A81 D83 H87A81-S85 WeakPolarHBondContact CB-OG 3.48Å; A81-S85 PolarHBondContact N-O 3.41Å; D83-S85 PolarHBondContact O-N 2.88Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.23Å; D83-S85 PolarHBondContact OD1-N 3.06Å; D83-S85 PolarHBondContact OD1-OG 3.36Å; D83-S85 PolarHBondContact OD2-OG 3.28Å; S85-H87 PolarHBondContact OG-CE1 3.13Å; S85-H87 PolarHBondContact OG-NE2 3.01Å
86W92.7Very high87.5Confident175 Ų17582.6 Ų82.666%0.66342%0.421SS*.EExtended strand (participates in β ladder)trans-108.3126.9175.1-67.998.3000109.6V78 K80V78-W86 HydrophobicContact CG1-CB 4.5Å; V78-W86 HydrophobicContact CG1-CD2 4.3Å; V78-W86 HydrophobicContact CG1-CE3 3.44Å; V78-W86 VanDerWaalsContact CG1-CE3 3.44Å; V78-W86 HydrophobicContact CG1-CZ3 3.95Å; K80-W86 HydrophobicContact CB-CD2 4.45Å; K80-W86 HydrophobicContact CB-CE3 3.94Å; K80-W86 HydrophobicContact CB-CH2 4.22Å; K80-W86 HydrophobicContact CB-CZ3 3.84Å; K80-W86 HydrophobicContact CD-CZ2 4.37Å
87H89.7Confident87.7Confident76 Ų7678.6 Ų78.635%0.35240%0.395SS..EExtended strand (participates in β ladder)trans-112.8138.2176-63.8135000110.6V78 I79 A81 S85V78-H87 WeakPolarHBondContact CA-O 3.39Å; I79-H87 HydrophobicContact CG2-CB 4.13Å; I79-H87 PolarHBondContact N-O 2.83Å; I79-H87 PolarHBondContact O-N 2.76Å; A81-H87 VanDerWaalsContact CB-CE1 3.49Å; A81-H87 WeakPolarHBondContact CB-CE1 3.38Å; S85-H87 PolarHBondContact OG-CE1 3.13Å; S85-H87 PolarHBondContact OG-NE2 3.01Å
88I88.5Confident87.9Confident133 Ų13374.5 Ų74.568%0.68238%0.38SS*.EExtended strand (participates in β ladder)trans-90.5120.2164.8-57.7176.1000107.2P76 V78P76-I88 HydrophobicContact CB-CG2 4.14Å; V78-I88 HydrophobicContact CG2-CG1 4.39Å
89R84.6Confident87.8Confident136 Ų13673.7 Ų73.751%0.51337%0.367SS..EExtended strand (participates in β ladder)trans-116.7160173.6-68.7-173.4-179.4-108.8-2.8109.7P76 Y77 I79P76-R89 CarbonylContact C-O 3.55Å; P76-R89 VanDerWaalsContact CA-O 3.3Å; P76-R89 WeakPolarHBondContact CA-O 3.43Å; Y77-R89 HydrophobicContact CD1-CB 4.26Å; Y77-R89 WeakPolarHBondContact CD1-O 3.06Å; Y77-R89 HydrophobicContact CD2-CB 4.46Å; Y77-R89 HydrophobicContact CE1-CB 3.64Å; Y77-R89 HydrophobicContact CE2-CB 3.87Å; Y77-R89 VanDerWaalsContact CZ-CB 3.42Å; Y77-R89 PolarHBondContact N-O 3.08Å; Y77-R89 PolarHBondContact O-N 3.27Å; I79-R89 HydrophobicContact CG2-CG 4.17Å
90Q82.6Confident87.5Confident113 Ų11371.5 Ų71.553%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-112.9125.1-179.9-81.8-175.56.600109.3Y74Y74-Q90 HydrophobicContact CD1-CB 3.95Å; Y74-Q90 HydrophobicContact CG-CB 4.2Å
91F79.3Confident86.4Confident63 Ų6369.3 Ų69.328%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-97125.8175.5-166.9-83.9000109.8I8 Y74 I75 Y77 T93I8-F91 HydrophobicContact CB-CD1 3.8Å; I8-F91 HydrophobicContact CB-CE1 3.47Å; I8-F91 VanDerWaalsContact CB-CE1 3.47Å; I8-F91 HydrophobicContact CB-CZ 4.39Å; I8-F91 HydrophobicContact CD1-CD1 3.52Å; I8-F91 HydrophobicContact CD1-CD2 4.2Å; I8-F91 HydrophobicContact CD1-CE1 3.35Å; I8-F91 HydrophobicContact CD1-CE2 4.03Å; I8-F91 HydrophobicContact CD1-CG 3.96Å; I8-F91 HydrophobicContact CD1-CZ 3.61Å; I8-F91 HydrophobicContact CG1-CD1 3.87Å; I8-F91 HydrophobicContact CG1-CE1 3.3Å; I8-F91 HydrophobicContact CG1-CZ 3.74Å; Y74-F91 CarbonylContact C-O 3.59Å; Y74-F91 VanDerWaalsContact CA-O 3.28Å; Y74-F91 WeakPolarHBondContact CA-O 3.39Å; I75-F91 PolarHBondContact N-O 2.85Å; I75-F91 PolarHBondContact O-N 3.34Å; Y77-F91 HydrophobicContact CD1-CB 3.85Å; Y77-F91 HydrophobicContact CE1-CB 3.74Å; Y77-F91 HydrophobicContact CE1-CD2 4.42Å; F91-T93 HydrophobicContact CD1-CG2 3.84Å; F91-T93 PolarHBondContact O-N 2.61Å
92P79.6Confident85.1Confident66 Ų6675.3 Ų75.343%0.42937%0.373SS..EExtended strand (participates in β ladder)trans-65.9125.617626.3-32.4000110.8T72 Y74T72-P92 HydrophobicContact CG2-CB 3.42Å; T72-P92 VanDerWaalsContact CG2-CB 3.42Å; Y74-P92 HydrophobicContact CD1-CB 4.29Å; Y74-P92 HydrophobicContact CE1-CB 3.94Å
93T83.9Confident83.6Confident1 Ų174.4 Ų74.41%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-127.9161.1-179.457.80000112I8 T72 P73 I75 F91I8-T93 HydrophobicContact CB-CG2 3.79Å; I8-T93 HydrophobicContact CG2-CG2 3.54Å; I8-T93 CarbonylContact O-C 3.53Å; I8-T93 WeakPolarHBondContact O-CA 3.33Å; I8-T93 WeakPolarHBondContact O-CB 3.39Å; T72-T93 CarbonylContact C-O 3.6Å; T72-T93 VanDerWaalsContact CA-O 3.29Å; T72-T93 WeakPolarHBondContact CA-O 3.3Å; T72-T93 WeakPolarHBondContact CG2-O 3.34Å; P73-T93 WeakPolarHBondContact CD-O 3.24Å; P73-T93 VanDerWaalsContact CG-O 3.25Å; P73-T93 WeakPolarHBondContact CG-O 3.5Å; P73-T93 VanDerWaalsContact CG-OG1 3.28Å; P73-T93 WeakPolarHBondContact CG-OG1 3.24Å; P73-T93 WeakPolarHBondContact O-CA 3.26Å; P73-T93 PolarHBondContact O-N 3.43Å; P73-T93 PolarHBondContact O-OG1 2.95Å; I75-T93 HydrophobicContact CB-CG2 4.19Å; I75-T93 HydrophobicContact CD1-CG2 3.62Å; I75-T93 HydrophobicContact CG1-CG2 3.64Å; F91-T93 HydrophobicContact CD1-CG2 3.84Å; F91-T93 PolarHBondContact O-N 2.61Å
94H84Confident81.8Confident23 Ų2370 Ų7011%0.10633%0.334CS..EExtended strand (participates in β ladder)trans-108139.6174-67.7-91000111.4I8 S9 V10 L41 L96I8-H94 PolarHBondContact O-N 3.45Å; I8-H94 VanDerWaalsContact O-N 3.08Å; S9-H94 CarbonylContact C-O 3.51Å; S9-H94 VanDerWaalsContact CA-O 3.25Å; S9-H94 WeakPolarHBondContact CA-O 3.47Å; V10-H94 PolarHBondContact N-O 3.29Å; L41-H94 HydrophobicContact CD2-CB 3.85Å; H94-L96 HydrophobicContact CB-CD2 4.46Å
95R85.9Confident80.1Confident103 Ų10372.8 Ų72.839%0.38934%0.343SS..EExtended strand (participates in β ladder)trans-87.2111.3172.4-60.4-175.568.4179.4-1110.3T68 P73T68-R95 PolarHBondContact N-O 3.06Å; T68-R95 VanDerWaalsContact OG1-CB 3.29Å; T68-R95 WeakPolarHBondContact OG1-CB 3.46Å; T68-R95 PolarHBondContact OG1-O 3.06Å; P73-R95 HydrophobicContact CB-CG 4.25Å; P73-R95 HydrophobicContact CG-CG 3.44Å; P73-R95 VanDerWaalsContact CG-CG 3.44Å
96L89.4Confident78.2Confident0 Ų076.8 Ų76.80%036%0.362CS..EExtended strand (participates in β ladder)trans-106.9151.8172.6-50.5-177.3000109.6V10 V11 Q12 F37 M38 L41 L65 C66 V67 H94V10-L96 PolarHBondContact O-N 2.68Å; V10-L96 VanDerWaalsContact O-O 3.14Å; V11-L96 CarbonylContact C-O 3.17Å; V11-L96 WeakPolarHBondContact CA-O 3.45Å; V11-L96 HydrophobicContact CG1-CB 4.33Å; V11-L96 HydrophobicContact CG2-CB 4.18Å; V11-L96 HydrophobicContact CG2-CD1 4.27Å; Q12-L96 PolarHBondContact N-O 2.76Å; F37-L96 HydrophobicContact CE1-CD1 3.92Å; F37-L96 HydrophobicContact CE1-CD2 3.99Å; F37-L96 HydrophobicContact CZ-CD2 4.43Å; M38-L96 HydrophobicContact CE-CD1 3.7Å; M38-L96 HydrophobicContact SD-CD1 4.35Å; L41-L96 HydrophobicContact CD2-CD2 4.2Å; L65-L96 HydrophobicContact CD1-CB 4.01Å; L65-L96 HydrophobicContact CD1-CD1 4.45Å; L65-L96 HydrophobicContact CD2-CD1 4.37Å; C66-L96 CarbonylContact O-C 3.57Å; C66-L96 VanDerWaalsContact O-CA 3.24Å; C66-L96 WeakPolarHBondContact O-CA 3.37Å; V67-L96 HydrophobicContact CB-CD2 4.25Å; V67-L96 HydrophobicContact CG1-CD2 4.44Å; V67-L96 HydrophobicContact CG2-CD2 3.79Å; H94-L96 HydrophobicContact CB-CD2 4.46Å
97S89.3Confident76.3Confident4 Ų469.3 Ų69.33%0.02834%0.336CS..EExtended strand (participates in β ladder)trans-136.4144.2171.367.20000110.3C66 T68 R99C66-S97 PolarHBondContact N-O 3.4Å; C66-S97 PolarHBondContact O-N 2.89Å; T68-S97 VanDerWaalsContact CG2-CB 3.43Å; T68-S97 WeakPolarHBondContact CG2-OG 3.42Å; S97-R99 WeakPolarHBondContact OG-CG 3.22Å; S97-R99 PolarHBondContact OG-NE 2.93Å
98V89.4Confident74.7Confident8 Ų869.9 Ų69.95%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-91123.5166.1-178.80000108.9V11 Q12 I13 P14 L22 L53 L63 S64 L65V11-V98 HydrophobicContact CG1-CG2 4.05Å; Q12-V98 PolarHBondContact O-N 3.23Å; I13-V98 HydrophobicContact CD1-CG2 4.34Å; P14-V98 HydrophobicContact CG-CB 4.38Å; P14-V98 HydrophobicContact CG-CG1 4.32Å; L22-V98 HydrophobicContact CD1-CB 4.41Å; L22-V98 HydrophobicContact CD1-CG1 4.06Å; L22-V98 HydrophobicContact CD1-CG2 4.35Å; L53-V98 HydrophobicContact CD1-CB 4.49Å; L53-V98 HydrophobicContact CD1-CG1 3.63Å; L53-V98 HydrophobicContact CD1-CG2 4.03Å; L63-V98 HydrophobicContact CB-CG1 3.86Å; L63-V98 HydrophobicContact CD1-CG1 4.04Å; L63-V98 HydrophobicContact CD2-CG1 4.33Å; L63-V98 HydrophobicContact CG-CG1 4.31Å; S64-V98 CarbonylContact O-C 3.48Å; S64-V98 VanDerWaalsContact O-CA 3.31Å; S64-V98 WeakPolarHBondContact O-CA 3.19Å; L65-V98 HydrophobicContact CD1-CG2 3.9Å
99R86.4Confident73.1Confident77 Ų7767.1 Ų67.129%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-128.7151-177.7-60.6-176.7-177.6-163.7-3.2110.5L63 S64 S97L63-R99 CarbonylContact C-O 3.52Å; L63-R99 WeakPolarHBondContact CA-O 3.32Å; S64-R99 PolarHBondContact N-O 3.27Å; S64-R99 PolarHBondContact O-N 2.85Å; S97-R99 WeakPolarHBondContact OG-CG 3.22Å; S97-R99 PolarHBondContact OG-NE 2.93Å
100S80.2Confident71.8Confident27 Ų2762.5 Ų62.519%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-72.4140.9167.6177.40000110.1K102 N103S100-K102 PolarHBondContact O-N 3.16Å; S100-N103 PolarHBondContact O-N 3.27Å
101L69.2Low70.3Confident72 Ų7260.6 Ų60.638%0.37731%0.309SS..G310 helixtrans-54-27.1177.6-170.771000112.6S62 N103 D104 I109S62-L101 WeakPolarHBondContact O-CB 3.26Å; S62-L101 PolarHBondContact O-N 3.42Å; L101-N103 PolarHBondContact O-N 3.28Å; L101-N103 VanDerWaalsContact O-N 3.09Å; L101-D104 WeakPolarHBondContact CD1-OD2 3.39Å; L101-D104 PolarHBondContact O-N 3.43Å; L101-I109 HydrophobicContact CD1-CD1 3.59Å; L101-I109 HydrophobicContact CD1-CG1 4.22Å; L101-I109 HydrophobicContact CD1-CG2 4.46Å
102K62.2Low69.1Low150 Ų15063.2 Ų63.265%0.65232%0.322SS*.G310 helixtrans-61.1-17.9178-70.2176-177.5155.50113.6D61 S100D61-K102 VanDerWaalsContact CG-NZ 3.29Å; D61-K102 WeakPolarHBondContact OD1-CE 3.46Å; D61-K102 IonicContact OD1-NZ 3.06Å; D61-K102 PolarHBondContact OD1-NZ 3.14Å; D61-K102 IonicContact OD2-NZ 2.61Å; D61-K102 PolarHBondContact OD2-NZ 3.02Å; S100-K102 PolarHBondContact O-N 3.16Å
103N59.4Low67.8Low114 Ų11467.4 Ų67.461%0.6134%0.34SS*.G310 helixtrans-11217.1-175.4-69.9-1000114.2S100 L101 N105S100-N103 PolarHBondContact O-N 3.27Å; L101-N103 PolarHBondContact O-N 3.28Å; L101-N103 VanDerWaalsContact O-N 3.09Å; N103-N105 PolarHBondContact O-N 3.32Å
104D57.5Low66Low19 Ų1974.6 Ų74.610%0.10237%0.372CS..  trans-79.441.4-172.5-99.8-24.3000115.1L101 D106 I109L101-D104 WeakPolarHBondContact CD1-OD2 3.39Å; L101-D104 PolarHBondContact O-N 3.43Å; D104-D106 PolarHBondContact O-N 2.8Å; D104-I109 HydrophobicContact CB-CD1 3.66Å; D104-I109 HydrophobicContact CB-CG1 4Å; D104-I109 WeakPolarHBondContact OD2-CD1 3.47Å; D104-I109 VanDerWaalsContact OD2-CG1 3.26Å; D104-I109 WeakPolarHBondContact OD2-CG1 3.44Å
105N55.1Low63.9Low131 Ų13182.8 Ų82.870%0.70141%0.41SS*.THydrogen-bonded Turntrans-70.1-14.7176.1-73.5-20.5000113.8N103N103-N105 PolarHBondContact O-N 3.32Å
106D53.3Low61.8Low122 Ų12286.7 Ų86.765%0.65243%0.43SS*.THydrogen-bonded Turntrans-116.33.9-172.3-65.1-34.1000114.7D104D104-D106 PolarHBondContact O-N 2.8Å
107C52Low59.8Low18 Ų1891.2 Ų91.212%0.12246%0.459CS..SBendtrans-131.3137.1-171.9-72.80000112.8I109C107-I109 PolarHBondContact O-N 3.07Å
108V56.2Low57.4Low87 Ų8797.8 Ų97.853%0.52749%0.494SS..  trans-72100.5169-177.40000107.7S50 I110S50-V108 PolarHBondContact N-O 3.34Å; V108-I110 HydrophobicContact CG1-CG1 4.06Å; V108-I110 PolarHBondContact O-N 2.94Å
109I55.1Low55.4Low75 Ų75108.9 Ų108.939%0.38554%0.535SS..BIsolated β-bridgetrans-67.8118.2169.3-58.2162.1000107.6L101 D104 C107L101-I109 HydrophobicContact CD1-CD1 3.59Å; L101-I109 HydrophobicContact CD1-CG1 4.22Å; L101-I109 HydrophobicContact CD1-CG2 4.46Å; D104-I109 HydrophobicContact CB-CD1 3.66Å; D104-I109 HydrophobicContact CB-CG1 4Å; D104-I109 WeakPolarHBondContact OD2-CD1 3.47Å; D104-I109 VanDerWaalsContact OD2-CG1 3.26Å; D104-I109 WeakPolarHBondContact OD2-CG1 3.44Å; C107-I109 PolarHBondContact O-N 3.07Å
110I57.2Low53.2Low39 Ų39113.2 Ų113.220%0.256%0.556CS.*  trans-104.395.6175-56.7167.1000107.5F49 V108 E112F49-I110 HydrophobicContact CB-CD1 4.1Å; V108-I110 HydrophobicContact CG1-CG1 4.06Å; V108-I110 PolarHBondContact O-N 2.94Å; I110-E112 PolarHBondContact O-N 3.41Å
111D52.5Low51.3Low74 Ų74119.8 Ų119.840%0.39659%0.588SS.*  trans-73.3110.4166.6-171.7-8.7000108.6N113 K114D111-N113 PolarHBondContact O-N 3.33Å; D111-N113 PolarHBondContact OD1-N 3.08Å; D111-K114 HydrophobicContact CB-CB 4.37Å; D111-K114 PolarHBondContact O-N 3.33Å
112E54.1Low50Low117 Ų117123.1 Ų123.155%0.54761%0.606SS.*THydrogen-bonded Turntrans-67.6-14.6178.5-69.7-161.9131.300112.6K36 R51 I110K36-E112 IonicContact NZ-OE2 2.81Å; R51-E112 IonicContact CZ-OE1 3.05Å; R51-E112 IonicContact CZ-OE2 3.91Å; R51-E112 IonicContact NH1-OE1 2.76Å; R51-E112 PolarHBondContact NH1-OE1 3.3Å; R51-E112 IonicContact NH1-OE2 3.28Å; R51-E112 PolarHBondContact NH1-OE2 3.33Å; R51-E112 VanDerWaalsContact NH2-CG 3.29Å; R51-E112 IonicContact NH2-OE1 3.75Å; R51-E112 PolarHBondContact NH2-OE1 3.35Å; I110-E112 PolarHBondContact O-N 3.41Å
113N51.6Low48.9Very low154 Ų154126 Ų12682%0.82462%0.618SS**THydrogen-bonded Turntrans-94-0.9179.1-71.7-29.5000113.7D111D111-N113 PolarHBondContact O-N 3.33Å; D111-N113 PolarHBondContact OD1-N 3.08Å
114K45.7Very low48.1Very low153 Ų153130.6 Ų130.667%0.66563%0.627SS**SBendtrans-120.1108.1174.4-70.1-174.4-178.9177.60110D111 K116D111-K114 HydrophobicContact CB-CB 4.37Å; D111-K114 PolarHBondContact O-N 3.33Å; K114-K116 PolarHBondContact O-N 2.92Å
115E39.5Very low47.4Very low195 Ų195134 Ų13491%0.91166%0.658SS**SBendtrans-59.94.9-172.3-109.8-176.6163.400117.4
116K42.3Very low46.7Very low184 Ų184136.9 Ų136.980%0.867%0.667SS**  trans-148113.5179.4-65.5-176.7-178170.70111.8K114 N118K114-K116 PolarHBondContact O-N 2.92Å; K116-N118 PolarHBondContact O-N 2.92Å
117P46.9Very low46.4Very low95 Ų95136.6 Ų136.662%0.61767%0.674SS**  trans-67.1122.5168.326.3-29.8000108.9R119P117-R119 PolarHBondContact O-N 3.21Å
118N39.2Very low46.3Very low143 Ų143141.6 Ų141.677%0.76570%0.704SS**  trans-69100.4178.8-153.1-12.4000108.9K116 K120K116-N118 PolarHBondContact O-N 2.92Å; N118-K120 PolarHBondContact O-N 3.46Å
119R48.2Very low45.7Very low241 Ų241149.3 Ų149.391%0.90972%0.724SS**  trans-71.218.1-173.5-89.6-178.4167.6171.3-3.6115.2P117P117-R119 PolarHBondContact O-N 3.21Å
120K39.2Very low45.4Very low168 Ų168154.1 Ų154.173%0.7374%0.744SS**  trans-120.5124.8-176.1-63.4-177.5178.8-177.90107.7N118N118-K120 PolarHBondContact O-N 3.46Å
121L40.2Very low45Very low165 Ų165158.9 Ų158.986%0.86478%0.775SS**  trans92.9110-170.7-59.1144.8000109.9
122L42.7Very low44.7Very low141 Ų141160.4 Ų160.474%0.73879%0.792SS**  cis-156.6144.141.1-75.5129.5000111.9
123K39.6Very low44.7Very low212 Ų212160.7 Ų160.792%0.92280%0.804SS**PPolyproline II helixtrans-68.9127.7167.5-72.2174.1174.7178.10108.8A125K123-A125 PolarHBondContact O-N 3.13Å
124R42.7Very low44.7Very low210 Ų210162.2 Ų162.279%0.79281%0.806SS**PPolyproline II helixtrans-68125.9178.8-164.8174.9-168.7160.13.5110.1
125A42.6Very low45.1Very low91 Ų91162.1 Ų162.175%0.75281%0.812SS**PPolyproline II helixtrans-72.2129.8163.300000108.7K123 S127K123-A125 PolarHBondContact O-N 3.13Å; A125-S127 PolarHBondContact O-N 2.81Å; A125-S127 VanDerWaalsContact O-N 3.08Å
126H40.6Very low45.7Very low190 Ų190160.9 Ų160.988%0.8881%0.81SS**  trans-64.2105.9173.3-82.2-83.7000109.1
127S46.6Very low46.2Very low117 Ų117157.7 Ų157.782%0.81881%0.806SS**  trans-78.9126.2167.4122.60000108.4A125A125-S127 PolarHBondContact O-N 2.81Å; A125-S127 VanDerWaalsContact O-N 3.08Å
128V50Low46.6Very low122 Ų122158.7 Ų158.774%0.73982%0.815SS**  trans-60.3135.1177.9175.60000109.2E130V128-E130 PolarHBondContact O-N 2.67Å; V128-E130 VanDerWaalsContact O-N 3.1Å
129R42.8Very low47.3Very low249 Ų249157 Ų15794%0.9482%0.815SS**  trans-75.590.2-178.5-164.7-177-169.7-169.23108.6
130E49.7Very low47.8Very low176 Ų176152.8 Ų152.882%0.82281%0.81SS**  trans-86.8139.4168.4-71.2-164.6167.600111.1V128V128-E130 PolarHBondContact O-N 2.67Å; V128-E130 VanDerWaalsContact O-N 3.1Å
131T48.5Very low48.9Very low139 Ų139152.8 Ų152.885%0.85381%0.813SS**  trans-51.9140.8-167.316.20000115.6
132S45.4Very low49.6Very low107 Ų107154 Ų15475%0.74881%0.814SS**  trans-44.4142.9166.6-780000112Q134S132-Q134 PolarHBondContact O-N 3.4Å
133P55.8Low50.2Low123 Ų123153.7 Ų153.780%0.79982%0.818SS**  trans-62.6123.9173.724.2-27.2000109.1L135P133-L135 PolarHBondContact O-N 3.02Å
134Q50.9Low50.6Low186 Ų186146.8 Ų146.887%0.86981%0.807SS**  trans-64.1121.4172-70.3-179.3-6.900108.5S132 I136S132-Q134 PolarHBondContact O-N 3.4Å; Q134-I136 PolarHBondContact O-N 2.93Å
135L53.8Low51.2Low151 Ų151148.1 Ų148.179%0.79181%0.812SS**  trans-63.5112.3169.6-71.7165.9000108.1P133 T137P133-L135 PolarHBondContact O-N 3.02Å; L135-T137 PolarHBondContact O-N 3.14Å
136I53Low51.5Low168 Ų168149.5 Ų149.586%0.86281%0.813SS**  trans-79.2104.6170.5-48.5171.7000106.2Q134Q134-I136 PolarHBondContact O-N 2.93Å
137T51.9Low52Low118 Ų118146.1 Ų146.172%0.72481%0.811SS**  trans-93.9111.7166.353.20000108L135 S139L135-T137 PolarHBondContact O-N 3.14Å; T137-S139 PolarHBondContact O-N 3.01Å
138S55.5Low52.4Low115 Ų115150.2 Ų150.280%0.80481%0.814SS**  trans-73.1113.1165.258.60000108.8D140S138-D140 PolarHBondContact O-N 3.01Å
139S53.6Low52.5Low107 Ų107151.1 Ų151.175%0.74882%0.82SS**  trans-79.4105.5162.6-67.10000107.4T137 E141T137-S139 PolarHBondContact O-N 3.01Å; S139-E141 PolarHBondContact O-N 2.94Å
140D59.1Low52.9Low153 Ų153150.8 Ų150.882%0.81882%0.819SS**  trans-86.399.1164.4-161.125.2000106.2S138 E142S138-D140 PolarHBondContact O-N 3.01Å; D140-E142 PolarHBondContact O-N 3.11Å
141E61.5Low52.9Low169 Ų169152.2 Ų152.279%0.7982%0.822SS**  trans-77.3106173-68.3-123.512200108S139 V143S139-E141 PolarHBondContact O-N 2.94Å; E141-V143 PolarHBondContact O-N 3.3Å
142E55.7Low53.4Low189 Ų189153 Ų15388%0.88382%0.82SS**  trans-61.5104.4164.2-85.9-152.3131.600109D140 G144D140-E142 PolarHBondContact O-N 3.11Å; E142-G144 PolarHBondContact O-N 2.95Å
143V55Low53.8Low135 Ų135156.5 Ų156.582%0.81882%0.824SS**  trans-6595.3169177.60000108.4E141 R145E141-V143 PolarHBondContact O-N 3.3Å; V143-R145 PolarHBondContact O-N 3.16Å
144G47.6Very low53.8Low67 Ų67156.1 Ų156.169%0.69182%0.824SS**PPolyproline II helixtrans-59.2121.7172.600000111.7E142E142-G144 PolarHBondContact O-N 2.95Å
145R54.6Low53.9Low238 Ų238160.2 Ų160.290%0.89884%0.843SS**PPolyproline II helixtrans-76.5130.5164.3-82.3-174.2175.2-173.8-0.2109.8V143V143-R145 PolarHBondContact O-N 3.16Å
146P49.1Very low53.9Low120 Ų120160.7 Ų160.778%0.77985%0.846SS**PPolyproline II helixtrans-85.8124.1174.332.5-28.4000110
147S52Low53.9Low119 Ų119160.3 Ų160.383%0.83285%0.845SS**  trans-119.8101.9164.9-69.20000109.4
148K54.1Low54Low203 Ų203162.7 Ų162.788%0.88385%0.852SS**  trans-71125.3169.7-72174.1176.3174.70109.5
149T52.7Low53.9Low141 Ų141165.5 Ų165.587%0.86586%0.855SS**  trans-156.2103.11435.30000109.5
150R52.3Low53.9Low243 Ų243169.1 Ų169.192%0.91786%0.862SS**  trans-81.3123.9160.1-94.7-179.1166.7-179.4-4.4107.5
151K49.1Very low53.6Low205 Ų205170.2 Ų170.289%0.89186%0.864SS**  trans-136.3106.9152.7-122.9-174.1179.6-171.30105.8
152I59.8Low53Low156 Ų156170.3 Ų170.380%0.887%0.87SS**  trans-125.3114.4165.1-65.3176.8000104.3
153E53.4Low52.8Low181 Ų181168.8 Ų168.885%0.84687%0.869SS**  trans-67.3140.9166.7-72.3167.6143.500109.6
154S55.8Low52.7Low114 Ų114171.7 Ų171.780%0.79787%0.873SS**  trans-167.692.5154.3-78.30000108.7
155Q51.5Low53.1Low273 Ų273181.2 Ų181.2100%1.27689%0.889SS**  -1680129-104.2-175.1-3.500109.2

Retrieved 155 of 155 residues in 262 ms (Link to these results)

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