A0A077YZJ6_TRITR Loading...

Sm protein B

AlphaFold DB , UniProt , Accession A0A077YZJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M46.6Very low70.6Confident225 Ų225118.7 Ų118.7100%1.10862%0.623SS**  0122.20-71174.3-153.500108.1I3M1-I3 PolarHBondContact O-N 3.38Å
2T49.5Very low72.5Confident118 Ų118112.6 Ų112.672%0.72459%0.588SS**  trans-70.590.3179.348.50000109.8S4T2-S4 PolarHBondContact O-N 3.08Å; T2-S4 VanDerWaalsContact O-N 3.12Å
3I61.1Low74.2Confident142 Ų142107.7 Ų107.773%0.72856%0.562SS**THydrogen-bonded Turntrans-66.5-5.6-172.5-94.2151.1000114.4M1M1-I3 PolarHBondContact O-N 3.38Å
4S60.7Low75.6Confident98 Ų98104.6 Ų104.669%0.68555%0.547SS*.THydrogen-bonded Turntrans-81.8-25.7-17355.70000115.9T2T2-S4 PolarHBondContact O-N 3.08Å; T2-S4 VanDerWaalsContact O-N 3.12Å
5K61.5Low77Confident178 Ų178103.6 Ų103.677%0.77453%0.534SS*.SBendtrans-98.7-19.6-174-64.2-177.1-177.9-179.80114.5N7K5-N7 VanDerWaalsContact C-N 3.32Å; K5-N7 PolarHBondContact O-N 3.35Å
6N63.3Low78.2Confident85 Ų85101.1 Ų101.146%0.45552%0.515SS..THydrogen-bonded Turntrans-89.97.7-174.9-69.1-9.7000113.9K8 M9 L10 F34N6-K8 PolarHBondContact O-N 3.43Å; N6-M9 PolarHBondContact O-N 3.39Å; N6-M9 VanDerWaalsContact O-N 3.09Å; N6-L10 PolarHBondContact O-N 3.41Å; N6-F34 HydrophobicContact CB-CZ 4.5Å
7N76.4Confident79.3Confident109 Ų10995.5 Ų95.558%0.58349%0.487SS*.Hα-helixtrans-58.3-34.7-178.9-162.7-12.5000112.2K5 M9 L10 S11K5-N7 VanDerWaalsContact C-N 3.32Å; K5-N7 PolarHBondContact O-N 3.35Å; N7-M9 VanDerWaalsContact C-N 3.28Å; N7-M9 PolarHBondContact O-N 3.24Å; N7-L10 PolarHBondContact O-N 3.25Å; N7-S11 PolarHBondContact O-N 3.14Å
8K86.3Confident80.3Confident164 Ų16494.3 Ų94.371%0.71348%0.478SS*.Hα-helixtrans-61-33.3177.5-169.4176.2-178.6-179.70113.2N6 S11 H12N6-K8 PolarHBondContact O-N 3.43Å; K8-S11 PolarHBondContact O-OG 2.98Å; K8-H12 PolarHBondContact O-CE1 3.49Å; K8-H12 PolarHBondContact O-ND1 3.49Å
9M89.2Confident81.1Confident39 Ų3989.4 Ų89.419%0.19245%0.453CS..Hα-helixtrans-80.9-36.9176.8-70.9-56.1-60.600111.5N6 N7 S11 H12 F31 F34 M38 M80N6-M9 PolarHBondContact O-N 3.39Å; N6-M9 VanDerWaalsContact O-N 3.09Å; N7-M9 VanDerWaalsContact C-N 3.28Å; N7-M9 PolarHBondContact O-N 3.24Å; M9-S11 PolarHBondContact O-N 3.18Å; M9-H12 PolarHBondContact O-N 3.31Å; M9-H12 VanDerWaalsContact O-N 3.13Å; M9-F31 HydrophobicContact CE-CE1 3.95Å; M9-F31 HydrophobicContact CE-CE2 4.3Å; M9-F31 HydrophobicContact CE-CZ 3.49Å; M9-F31 VanDerWaalsContact CE-CZ 3.49Å; M9-F34 HydrophobicContact CB-CD1 4.16Å; M9-F34 HydrophobicContact CB-CD2 4.27Å; M9-F34 HydrophobicContact CB-CE1 3.9Å; M9-F34 HydrophobicContact CB-CE2 4.02Å; M9-F34 HydrophobicContact CB-CG 4.35Å; M9-F34 HydrophobicContact CB-CZ 3.84Å; M9-M38 HydrophobicContact CE-CE 3.89Å; M9-M38 HydrophobicContact SD-CE 4.3Å; M9-M80 HydrophobicContact CE-CE 4.41Å; M9-M80 HydrophobicContact CE-SD 4.13Å
10L90.6Very high81.9Confident85 Ų8587 Ų8745%0.44544%0.443SS..Hα-helixtrans-58.5-37176.2-70.4166.8000112.1N6 N7 H12 I13 F34N6-L10 PolarHBondContact O-N 3.41Å; N7-L10 PolarHBondContact O-N 3.25Å; L10-H12 PolarHBondContact O-N 3.49Å; L10-I13 HydrophobicContact CD2-CD1 3.79Å; L10-I13 WeakPolarHBondContact O-CG1 3.35Å; L10-I13 PolarHBondContact O-N 3.24Å; L10-F34 HydrophobicContact CD2-CE1 3.85Å; L10-F34 HydrophobicContact CD2-CZ 4.13Å; L10-F34 HydrophobicContact CG-CE1 4.15Å; L10-F34 HydrophobicContact CG-CZ 4.14Å
11S91.6Very high82.6Confident63 Ų6383.8 Ų83.844%0.44143%0.426SS..THydrogen-bonded Turntrans-65.7-17.4179.368.20000114.6N7 K8 M9N7-S11 PolarHBondContact O-N 3.14Å; K8-S11 PolarHBondContact O-OG 2.98Å; M9-S11 PolarHBondContact O-N 3.18Å
12H93.2Very high84.9Confident45 Ų4579 Ų7921%0.20840%0.401CS..THydrogen-bonded Turntrans-98.1-3.3-179.9-61.9100.1000112.9K8 M9 L10 N14 Y15 M17 F31 V82K8-H12 PolarHBondContact O-CE1 3.49Å; K8-H12 PolarHBondContact O-ND1 3.49Å; M9-H12 PolarHBondContact O-N 3.31Å; M9-H12 VanDerWaalsContact O-N 3.13Å; L10-H12 PolarHBondContact O-N 3.49Å; H12-N14 PolarHBondContact O-N 3.31Å; H12-Y15 VanDerWaalsContact O-CB 3.31Å; H12-Y15 WeakPolarHBondContact O-CB 3.41Å; H12-Y15 PolarHBondContact O-N 3.13Å; H12-M17 HydrophobicContact CB-CE 4.18Å; H12-M17 HydrophobicContact CB-SD 3.98Å; H12-F31 HydrophobicContact CB-CD1 4.25Å; H12-F31 HydrophobicContact CB-CE1 4.4Å; H12-F31 WeakPolarHBondContact O-CD1 3.4Å; H12-V82 WeakPolarHBondContact CD2-CG2 3.38Å
13I94.1Very high86.9Confident49 Ų4977 Ų7725%0.25139%0.386SS..THydrogen-bonded Turntrans-57.5138.4177.6-66.8178.6000109.9L10 Y15 F31 F34L10-I13 HydrophobicContact CD2-CD1 3.79Å; L10-I13 WeakPolarHBondContact O-CG1 3.35Å; L10-I13 PolarHBondContact O-N 3.24Å; I13-Y15 PolarHBondContact O-N 2.87Å; I13-F31 HydrophobicContact CG1-CD1 4.25Å; I13-F31 HydrophobicContact CG1-CE1 3.99Å; I13-F34 HydrophobicContact CD1-CE1 4.27Å
14N94.5Very high88.2Confident65 Ų6574.9 Ų74.935%0.34838%0.384SS..THydrogen-bonded Turntrans69.8-8.1-172.4-60.7-52.4000116.4H12 F31 K32 P86 P87H12-N14 PolarHBondContact O-N 3.31Å; N14-F31 WeakPolarHBondContact CA-O 3.28Å; N14-F31 PolarHBondContact N-O 2.76Å; N14-K32 WeakPolarHBondContact OD1-CD 3.44Å; N14-K32 PolarHBondContact OD1-NZ 3.03Å; N14-P86 HydrophobicContact CB-CB 3.99Å; N14-P86 HydrophobicContact CB-CG 4.33Å; N14-P86 VanDerWaalsContact O-CA 3.25Å; N14-P86 WeakPolarHBondContact O-CA 3.48Å; N14-P86 WeakPolarHBondContact O-CB 3.41Å; N14-P87 WeakPolarHBondContact O-CD 3.5Å
15Y96.1Very high89.8Confident89 Ų8974.1 Ų74.135%0.34937%0.366SS..SBendtrans-68.7153.2174.5-77-110.4000111H12 I13 M17 Y30 F31 V82 P86H12-Y15 VanDerWaalsContact O-CB 3.31Å; H12-Y15 WeakPolarHBondContact O-CB 3.41Å; H12-Y15 PolarHBondContact O-N 3.13Å; I13-Y15 PolarHBondContact O-N 2.87Å; Y15-M17 PolarHBondContact O-N 3.39Å; Y15-Y30 WeakPolarHBondContact O-CA 3.34Å; Y15-F31 PolarHBondContact O-N 3.37Å; Y15-V82 HydrophobicContact CD1-CG1 3.69Å; Y15-V82 HydrophobicContact CE1-CG1 4.47Å; Y15-V82 HydrophobicContact CG-CG1 4.49Å; Y15-P86 HydrophobicContact CD1-CG 4.42Å; Y15-P86 HydrophobicContact CD2-CG 3.66Å; Y15-P86 HydrophobicContact CE1-CG 4.45Å; Y15-P86 HydrophobicContact CE2-CG 3.67Å; Y15-P86 HydrophobicContact CG-CG 4.05Å
16R96.4Very high91.4Very high63 Ų6366.4 Ų66.424%0.23833%0.334CS..EExtended strand (participates in β ladder)trans-76.6115.8168.1-162.2162.4177.2-127.98.6107.9V28 Y30 E83 G84R16-V28 HydrophobicContact CG-CG1 3.96Å; R16-Y30 HydrophobicContact CB-CD1 3.97Å; R16-Y30 HydrophobicContact CB-CE1 3.82Å; R16-Y30 HydrophobicContact CG-CD1 4.36Å; R16-Y30 HydrophobicContact CG-CE1 4.19Å; R16-E83 WeakPolarHBondContact CD-OE2 3.43Å; R16-E83 WeakPolarHBondContact CG-OE2 3.3Å; R16-E83 IonicContact CZ-OE1 3.47Å; R16-E83 IonicContact CZ-OE2 2.65Å; R16-E83 IonicContact NE-OE2 2.93Å; R16-E83 PolarHBondContact NE-OE2 2.75Å; R16-E83 IonicContact NH1-OE1 2.85Å; R16-E83 PolarHBondContact NH1-OE1 3.27Å; R16-E83 IonicContact NH1-OE2 3.89Å; R16-E83 PolarHBondContact NH1-OE2 3.2Å; R16-E83 PolarHBondContact O-N 3.05Å; R16-G84 PolarHBondContact N-O 3.29Å; R16-G84 PolarHBondContact O-N 2.93Å; R16-G84 VanDerWaalsContact O-N 3.1Å
17M96.6Very high93Very high6 Ų662.6 Ų62.63%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-114138.4-175-65.2-163.180.900110.4H12 Y15 V28 G29 F31 M80 T81H12-M17 HydrophobicContact CB-CE 4.18Å; H12-M17 HydrophobicContact CB-SD 3.98Å; Y15-M17 PolarHBondContact O-N 3.39Å; M17-V28 WeakPolarHBondContact O-CA 3.09Å; M17-G29 PolarHBondContact N-O 2.92Å; M17-G29 PolarHBondContact O-N 2.91Å; M17-F31 HydrophobicContact CB-CB 4.23Å; M17-F31 HydrophobicContact CG-CB 3.64Å; M17-F31 HydrophobicContact CG-CG 4.31Å; M17-F31 HydrophobicContact SD-CB 3.43Å; M17-F31 WeakPolarHBondContact SD-CB 3.43Å; M17-F31 HydrophobicContact SD-CD1 3.51Å; M17-F31 VanDerWaalsContact SD-CD1 3.51Å; M17-F31 HydrophobicContact SD-CD2 4.06Å; M17-F31 HydrophobicContact SD-CE1 4.19Å; M17-F31 HydrophobicContact SD-CG 3.41Å; M17-F31 WeakPolarHBondContact SD-CG 3.36Å; M17-M80 HydrophobicContact CE-CB 3.75Å; M17-M80 HydrophobicContact CE-CE 3.85Å; M17-M80 HydrophobicContact SD-CE 3.68Å; M17-T81 WeakPolarHBondContact CA-O 3.37Å
18K96.9Very high94Very high75 Ų7557.9 Ų57.933%0.32629%0.289SS..EExtended strand (participates in β ladder)trans-94123.8166.9178-178.4-179.9171.60108.6T26 L27 V28 M80 T81 E83K18-T26 HydrophobicContact CD-CG2 4.03Å; K18-T26 HydrophobicContact CG-CG2 3.58Å; K18-L27 CarbonylContact C-O 3.53Å; K18-L27 WeakPolarHBondContact CA-O 3.44Å; K18-V28 HydrophobicContact CB-CG2 4.25Å; K18-V28 HydrophobicContact CG-CG2 4.23Å; K18-M80 CarbonylContact O-C 3.54Å; K18-M80 WeakPolarHBondContact O-CA 3.31Å; K18-T81 PolarHBondContact N-O 2.93Å; K18-T81 PolarHBondContact O-N 2.85Å; K18-E83 HydrophobicContact CB-CB 4.3Å
19V96.8Very high94.5Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-116.1125-179-176.50000108.4L21 T26 L27 L42 L72 I77 S79 M80V19-L21 HydrophobicContact CG1-CD2 4.25Å; V19-T26 CarbonylContact O-C 3.57Å; V19-T26 WeakPolarHBondContact O-CA 3.42Å; V19-L27 HydrophobicContact CB-CB 4.39Å; V19-L27 PolarHBondContact N-O 2.75Å; V19-L27 PolarHBondContact O-N 2.67Å; V19-L42 HydrophobicContact CG2-CD1 3.9Å; V19-L42 HydrophobicContact CG2-CD2 4.39Å; V19-L72 HydrophobicContact CG1-CD1 4.35Å; V19-I77 HydrophobicContact CG1-CB 4.48Å; V19-I77 HydrophobicContact CG1-CD1 4.25Å; V19-I77 HydrophobicContact CG1-CG1 4.04Å; V19-I77 HydrophobicContact CG1-CG2 3.88Å; V19-S79 WeakPolarHBondContact CA-O 3.48Å; V19-M80 HydrophobicContact CG1-CG 4.27Å; V19-M80 HydrophobicContact CG2-CE 3.93Å; V19-M80 HydrophobicContact CG2-CG 4.1Å
20V96.6Very high94.9Very high42 Ų4250.5 Ų50.526%0.25525%0.254SS..EExtended strand (participates in β ladder)trans-99.8126.7176.1-1790000108.8V78 S79V20-V78 PolarHBondContact O-N 2.82Å; V20-S79 PolarHBondContact N-O 3.18Å
21L96.1Very high95.2Very high19 Ų1946.5 Ų46.510%0.09923%0.233CC..EExtended strand (participates in β ladder)trans-93.2160.4178.3-59.5-174.5000111.9V19 D23 S24 R25 L27 H76 I77V19-L21 HydrophobicContact CG1-CD2 4.25Å; L21-D23 WeakPolarHBondContact CB-OD1 3.43Å; L21-D23 PolarHBondContact O-N 3.21Å; L21-S24 PolarHBondContact O-N 3.34Å; L21-R25 HydrophobicContact CB-CB 4.33Å; L21-R25 HydrophobicContact CD1-CB 4.16Å; L21-R25 HydrophobicContact CG-CB 4.49Å; L21-R25 PolarHBondContact N-O 2.95Å; L21-L27 HydrophobicContact CD1-CD1 3.85Å; L21-L27 HydrophobicContact CD1-CG 4.21Å; L21-L27 HydrophobicContact CD2-CD1 4.45Å; L21-L27 HydrophobicContact CG-CD1 4.33Å; L21-L27 HydrophobicContact CG-CG 4.49Å; L21-H76 CarbonylContact C-O 3.53Å; L21-H76 VanDerWaalsContact CA-O 3.25Å; L21-H76 WeakPolarHBondContact CA-O 3.39Å; L21-H76 HydrophobicContact CD2-CB 4.45Å; L21-I77 HydrophobicContact CD2-CG1 4.37Å
22Q95.4Very high95.4Very high125 Ų12547 Ų4758%0.58423%0.228SC*.THydrogen-bonded Turntrans-58.1-30.8176.9-74.6176.4-21.900113.4S24 E75 H76 V78Q22-S24 PolarHBondContact O-N 3.08Å; Q22-E75 VanDerWaalsContact CD-O 3.27Å; Q22-E75 PolarHBondContact NE2-O 2.87Å; Q22-E75 PolarHBondContact OE1-O 3.17Å; Q22-H76 PolarHBondContact N-O 3.48Å; Q22-H76 PolarHBondContact OE1-ND1 3.47Å; Q22-V78 HydrophobicContact CB-CG2 4.29Å; Q22-V78 HydrophobicContact CG-CG2 3.72Å
23D92Very high95.4Very high76 Ų7646.7 Ų46.741%0.40623%0.232SC..THydrogen-bonded Turntrans-88.622.1-179.175.1-21.2000113.5L21 R25L21-D23 WeakPolarHBondContact CB-OD1 3.43Å; L21-D23 PolarHBondContact O-N 3.21Å; D23-R25 PolarHBondContact O-N 3.45Å; D23-R25 WeakPolarHBondContact OD1-CB 2.95Å; D23-R25 WeakPolarHBondContact OD1-CD 3.1Å; D23-R25 VanDerWaalsContact OD1-CG 3.3Å; D23-R25 WeakPolarHBondContact OD1-CG 3.25Å; D23-R25 PolarHBondContact OD1-N 2.88Å; D23-R25 IonicContact OD1-NE 2.75Å; D23-R25 WeakPolarHBondContact OD2-CD 3.34Å; D23-R25 IonicContact OD2-CZ 3.61Å; D23-R25 IonicContact OD2-NE 3.39Å; D23-R25 PolarHBondContact OD2-NE 3.08Å; D23-R25 IonicContact OD2-NH2 3.16Å; D23-R25 PolarHBondContact OD2-NH2 2.86Å
24S88.3Confident95.5Very high97 Ų9747 Ų4768%0.67823%0.232SC*.SBendtrans69.13.4179.473.90000116.5L21 Q22L21-S24 PolarHBondContact O-N 3.34Å; Q22-S24 PolarHBondContact O-N 3.08Å
25R93.4Very high95.4Very high83 Ų8347.2 Ų47.231%0.31323%0.233SC..  trans-72.2148.8173.2-64.3172.4-174.1-173.825.3111L21 D23 E47 R49L21-R25 HydrophobicContact CB-CB 4.33Å; L21-R25 HydrophobicContact CD1-CB 4.16Å; L21-R25 HydrophobicContact CG-CB 4.49Å; L21-R25 PolarHBondContact N-O 2.95Å; D23-R25 PolarHBondContact O-N 3.45Å; D23-R25 WeakPolarHBondContact OD1-CB 2.95Å; D23-R25 WeakPolarHBondContact OD1-CD 3.1Å; D23-R25 VanDerWaalsContact OD1-CG 3.3Å; D23-R25 WeakPolarHBondContact OD1-CG 3.25Å; D23-R25 PolarHBondContact OD1-N 2.88Å; D23-R25 IonicContact OD1-NE 2.75Å; D23-R25 WeakPolarHBondContact OD2-CD 3.34Å; D23-R25 IonicContact OD2-CZ 3.61Å; D23-R25 IonicContact OD2-NE 3.39Å; D23-R25 PolarHBondContact OD2-NE 3.08Å; D23-R25 IonicContact OD2-NH2 3.16Å; D23-R25 PolarHBondContact OD2-NH2 2.86Å; R25-E47 WeakPolarHBondContact CD-OE1 3.43Å; R25-E47 IonicContact CZ-OE1 2.75Å; R25-E47 IonicContact NE-OE1 3.2Å; R25-E47 PolarHBondContact NE-OE1 3.1Å; R25-E47 IonicContact NH1-OE1 3.27Å; R25-E47 PolarHBondContact NH1-OE1 3.34Å; R25-R49 HydrophobicContact CG-CG 4.29Å
26T95.9Very high95.2Very high16 Ų1651.7 Ų51.710%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-115.4127.5172.2-64.70000108.6K18 V19 V28 E47 F48K18-T26 HydrophobicContact CD-CG2 4.03Å; K18-T26 HydrophobicContact CG-CG2 3.58Å; V19-T26 CarbonylContact O-C 3.57Å; V19-T26 WeakPolarHBondContact O-CA 3.42Å; T26-V28 HydrophobicContact CG2-CG2 4.24Å; T26-E47 CarbonylContact O-C 3.57Å; T26-E47 WeakPolarHBondContact O-CA 3.35Å; T26-F48 PolarHBondContact N-O 2.93Å; T26-F48 PolarHBondContact O-N 2.9Å
27L97.1Very high95Very high5 Ų554.8 Ų54.83%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-109.3135.6172.3-60.2-179.6000109.3K18 V19 L21 L42 E46 E47 L67 L72K18-L27 CarbonylContact C-O 3.53Å; K18-L27 WeakPolarHBondContact CA-O 3.44Å; V19-L27 HydrophobicContact CB-CB 4.39Å; V19-L27 PolarHBondContact N-O 2.75Å; V19-L27 PolarHBondContact O-N 2.67Å; L21-L27 HydrophobicContact CD1-CD1 3.85Å; L21-L27 HydrophobicContact CD1-CG 4.21Å; L21-L27 HydrophobicContact CD2-CD1 4.45Å; L21-L27 HydrophobicContact CG-CD1 4.33Å; L21-L27 HydrophobicContact CG-CG 4.49Å; L27-L42 HydrophobicContact CB-CD1 4.27Å; L27-E46 CarbonylContact C-O 3.55Å; L27-E46 WeakPolarHBondContact CA-O 3.18Å; L27-E47 HydrophobicContact CD2-CB 3.45Å; L27-E47 VanDerWaalsContact CD2-CB 3.45Å; L27-E47 HydrophobicContact CD2-CG 3.67Å; L27-L67 HydrophobicContact CD2-CD1 3.8Å; L27-L72 HydrophobicContact CD1-CD1 3.42Å; L27-L72 VanDerWaalsContact CD1-CD1 3.42Å; L27-L72 HydrophobicContact CD1-CD2 3.5Å; L27-L72 HydrophobicContact CD1-CG 4.04Å
28V97.1Very high94.9Very high10 Ų1057.8 Ų57.86%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-124124.8174.6-176.90000108.4R16 M17 K18 T26 C45 E46 F48 E83R16-V28 HydrophobicContact CG-CG1 3.96Å; M17-V28 WeakPolarHBondContact O-CA 3.09Å; K18-V28 HydrophobicContact CB-CG2 4.25Å; K18-V28 HydrophobicContact CG-CG2 4.23Å; T26-V28 HydrophobicContact CG2-CG2 4.24Å; V28-C45 CarbonylContact O-C 3.52Å; V28-C45 VanDerWaalsContact O-CA 3.31Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; V28-E46 PolarHBondContact N-O 2.99Å; V28-E46 PolarHBondContact O-N 2.82Å; V28-F48 HydrophobicContact CB-CE2 4Å; V28-F48 HydrophobicContact CG2-CD2 3.95Å; V28-F48 HydrophobicContact CG2-CE2 3.72Å; V28-E83 HydrophobicContact CG1-CB 4.47Å; V28-E83 HydrophobicContact CG1-CG 4.22Å
29G97.1Very high94.8Very high0 Ų056.2 Ų56.20%028%0.281CS..EExtended strand (participates in β ladder)trans-167.5172.3179.600000112M17 F31 A43M17-G29 PolarHBondContact N-O 2.92Å; M17-G29 PolarHBondContact O-N 2.91Å; G29-F31 PolarHBondContact O-N 2.84Å; G29-A43 CarbonylContact C-O 3.52Å; G29-A43 WeakPolarHBondContact CA-O 3.25Å
30Y97Very high94.8Very high48 Ų4856.2 Ų56.219%0.18828%0.281CS..EExtended strand (participates in β ladder)trans-78.4120.3177.4-66.2-69000110.8Y15 R16 K32 L42 A43 D44 P87Y15-Y30 WeakPolarHBondContact O-CA 3.34Å; R16-Y30 HydrophobicContact CB-CD1 3.97Å; R16-Y30 HydrophobicContact CB-CE1 3.82Å; R16-Y30 HydrophobicContact CG-CD1 4.36Å; R16-Y30 HydrophobicContact CG-CE1 4.19Å; Y30-K32 PolarHBondContact O-N 2.94Å; Y30-L42 CarbonylContact O-C 3.55Å; Y30-L42 VanDerWaalsContact O-CA 3.29Å; Y30-L42 WeakPolarHBondContact O-CA 3.31Å; Y30-A43 PolarHBondContact N-O 2.93Å; Y30-A43 PolarHBondContact O-N 2.94Å; Y30-D44 HydrophobicContact CD2-CB 4.18Å; Y30-D44 HydrophobicContact CE2-CB 4.41Å; Y30-P87 VanDerWaalsContact CD1-CD 3.44Å; Y30-P87 HydrophobicContact CD1-CG 3.68Å; Y30-P87 HydrophobicContact CD2-CG 4.23Å; Y30-P87 HydrophobicContact CE1-CB 3.92Å; Y30-P87 HydrophobicContact CE1-CG 3.43Å; Y30-P87 VanDerWaalsContact CE1-CG 3.43Å; Y30-P87 HydrophobicContact CE2-CB 4.38Å; Y30-P87 HydrophobicContact CE2-CG 4.01Å; Y30-P87 HydrophobicContact CG-CG 4.06Å
31F96.6Very high94.8Very high0 Ų056.4 Ų56.40%028%0.281CS..EExtended strand (participates in β ladder)trans-74.8111-178.5177.9-123000111.3M9 H12 I13 N14 Y15 M17 G29 A33 F34 V40 L42 M80M9-F31 HydrophobicContact CE-CE1 3.95Å; M9-F31 HydrophobicContact CE-CE2 4.3Å; M9-F31 HydrophobicContact CE-CZ 3.49Å; M9-F31 VanDerWaalsContact CE-CZ 3.49Å; H12-F31 HydrophobicContact CB-CD1 4.25Å; H12-F31 HydrophobicContact CB-CE1 4.4Å; H12-F31 WeakPolarHBondContact O-CD1 3.4Å; I13-F31 HydrophobicContact CG1-CD1 4.25Å; I13-F31 HydrophobicContact CG1-CE1 3.99Å; N14-F31 WeakPolarHBondContact CA-O 3.28Å; N14-F31 PolarHBondContact N-O 2.76Å; Y15-F31 PolarHBondContact O-N 3.37Å; M17-F31 HydrophobicContact CB-CB 4.23Å; M17-F31 HydrophobicContact CG-CB 3.64Å; M17-F31 HydrophobicContact CG-CG 4.31Å; M17-F31 HydrophobicContact SD-CB 3.43Å; M17-F31 WeakPolarHBondContact SD-CB 3.43Å; M17-F31 HydrophobicContact SD-CD1 3.51Å; M17-F31 VanDerWaalsContact SD-CD1 3.51Å; M17-F31 HydrophobicContact SD-CD2 4.06Å; M17-F31 HydrophobicContact SD-CE1 4.19Å; M17-F31 HydrophobicContact SD-CG 3.41Å; M17-F31 WeakPolarHBondContact SD-CG 3.36Å; G29-F31 PolarHBondContact O-N 2.84Å; F31-A33 VanDerWaalsContact CE2-O 3.29Å; F31-A33 WeakPolarHBondContact CE2-O 3.42Å; F31-F34 HydrophobicContact CE1-CD1 4.32Å; F31-F34 HydrophobicContact CE2-CB 3.95Å; F31-F34 HydrophobicContact CZ-CB 3.65Å; F31-F34 AromaticContact CZ-CD1 3.84Å; F31-F34 HydrophobicContact CZ-CD1 3.84Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F31-V40 HydrophobicContact CD2-CG1 3.4Å; F31-V40 HydrophobicContact CE2-CB 4.28Å; F31-V40 HydrophobicContact CE2-CG1 3.49Å; F31-V40 VanDerWaalsContact CE2-CG1 3.49Å; F31-V40 HydrophobicContact CE2-CG2 3.94Å; F31-L42 HydrophobicContact CB-CD2 4.23Å; F31-L42 HydrophobicContact CD2-CD2 4.29Å; F31-M80 HydrophobicContact CD2-CE 3.94Å; F31-M80 HydrophobicContact CE2-CE 3.92Å
32K95.3Very high94.8Very high75 Ų7555.5 Ų55.533%0.32628%0.276SS..EExtended strand (participates in β ladder)trans-102.7-36.6-173.8-67.6-61.2-179.9-1800113.7N14 Y30 L41 A43N14-K32 WeakPolarHBondContact OD1-CD 3.44Å; N14-K32 PolarHBondContact OD1-NZ 3.03Å; Y30-K32 PolarHBondContact O-N 2.94Å; K32-L41 HydrophobicContact CB-CB 4.33Å; K32-L41 PolarHBondContact N-O 3.1Å; K32-A43 HydrophobicContact CG-CB 3.95Å
33A95.2Very high94.9Very high37 Ų3750.2 Ų50.231%0.30625%0.254SS..EExtended strand (participates in β ladder)trans-153.7160.3179.100000111.8F31 L41F31-A33 VanDerWaalsContact CE2-O 3.29Å; F31-A33 WeakPolarHBondContact CE2-O 3.42Å; A33-L41 HydrophobicContact CB-CB 4.08Å; A33-L41 HydrophobicContact CB-CD1 3.88Å; A33-L41 HydrophobicContact CB-CG 4.31Å; A33-L41 PolarHBondContact O-N 3.45Å
34F94.3Very high95Very high55 Ų5551.9 Ų51.924%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-137.4159.8168.768.2-76.8000111.7N6 M9 L10 I13 F31 N39N6-F34 HydrophobicContact CB-CZ 4.5Å; M9-F34 HydrophobicContact CB-CD1 4.16Å; M9-F34 HydrophobicContact CB-CD2 4.27Å; M9-F34 HydrophobicContact CB-CE1 3.9Å; M9-F34 HydrophobicContact CB-CE2 4.02Å; M9-F34 HydrophobicContact CB-CG 4.35Å; M9-F34 HydrophobicContact CB-CZ 3.84Å; L10-F34 HydrophobicContact CD2-CE1 3.85Å; L10-F34 HydrophobicContact CD2-CZ 4.13Å; L10-F34 HydrophobicContact CG-CE1 4.15Å; L10-F34 HydrophobicContact CG-CZ 4.14Å; I13-F34 HydrophobicContact CD1-CE1 4.27Å; F31-F34 HydrophobicContact CE1-CD1 4.32Å; F31-F34 HydrophobicContact CE2-CB 3.95Å; F31-F34 HydrophobicContact CZ-CB 3.65Å; F31-F34 AromaticContact CZ-CD1 3.84Å; F31-F34 HydrophobicContact CZ-CD1 3.84Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F34-N39 CarbonylContact C-O 3.54Å; F34-N39 VanDerWaalsContact CA-O 3.25Å; F34-N39 WeakPolarHBondContact CA-O 3.06Å
35D93.1Very high95.4Very high70 Ų7047.2 Ų47.237%0.37423%0.23SC..  trans-114.8167.6175.8-173.316.4000111.1H37 M38 N39D35-H37 PolarHBondContact O-N 2.92Å; D35-H37 IonicContact OD2-CD2 2.67Å; D35-M38 PolarHBondContact O-N 2.94Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 3.19Å; D35-N39 PolarHBondContact OD2-ND2 2.74Å
36K91.9Very high95.6Very high184 Ų18445.1 Ų45.180%0.822%0.224SC*.THydrogen-bonded Turntrans-53.4-32.5170.6-179-174174.5-168.70112.4M38K36-M38 VanDerWaalsContact C-N 3.28Å
37H93.4Very high95.6Very high128 Ų12844.7 Ų44.759%0.59322%0.221SC*.THydrogen-bonded Turntrans-86.57.6178.3-64.6-69.9000113.9D35 N39 G74D35-H37 PolarHBondContact O-N 2.92Å; D35-H37 IonicContact OD2-CD2 2.67Å; H37-N39 PolarHBondContact O-N 2.81Å; H37-G74 WeakPolarHBondContact O-CA 3.19Å
38M93Very high95.4Very high68 Ų6846.1 Ų46.134%0.33523%0.227SC..  trans60.526.6-169.4-62.7-64.5-62.200113M9 D35 K36 V40 G74 I77 M80M9-M38 HydrophobicContact CE-CE 3.89Å; M9-M38 HydrophobicContact SD-CE 4.3Å; D35-M38 PolarHBondContact O-N 2.94Å; K36-M38 VanDerWaalsContact C-N 3.28Å; M38-V40 WeakPolarHBondContact O-CG2 3.49Å; M38-V40 PolarHBondContact O-N 2.86Å; M38-G74 VanDerWaalsContact C-CA 3.41Å; M38-G74 WeakPolarHBondContact O-CA 3.5Å; M38-G74 PolarHBondContact O-N 3.3Å; M38-I77 WeakPolarHBondContact O-CD1 3.32Å; M38-M80 HydrophobicContact CE-SD 3.92Å
39N95.6Very high95.1Very high42 Ų4248.7 Ų48.723%0.22524%0.235CC..  trans-66.3128.6164.2-57.6-39.6000107.8F34 D35 H37 L71 L72 R73 G74F34-N39 CarbonylContact C-O 3.54Å; F34-N39 VanDerWaalsContact CA-O 3.25Å; F34-N39 WeakPolarHBondContact CA-O 3.06Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 3.19Å; D35-N39 PolarHBondContact OD2-ND2 2.74Å; H37-N39 PolarHBondContact O-N 2.81Å; N39-L71 HydrophobicContact CB-CD1 4.49Å; N39-L72 CarbonylContact C-O 3.49Å; N39-L72 WeakPolarHBondContact CA-O 3.49Å; N39-R73 WeakPolarHBondContact OD1-CA 3.07Å; N39-G74 PolarHBondContact OD1-N 2.81Å
40V96.1Very high94.4Very high0 Ų057.2 Ų57.20%027%0.268CS..EExtended strand (participates in β ladder)trans-120.3134.3-171.5173.40000110.3F31 M38 L42 L72 I77 M80F31-V40 HydrophobicContact CD2-CG1 3.4Å; F31-V40 HydrophobicContact CE2-CB 4.28Å; F31-V40 HydrophobicContact CE2-CG1 3.49Å; F31-V40 VanDerWaalsContact CE2-CG1 3.49Å; F31-V40 HydrophobicContact CE2-CG2 3.94Å; M38-V40 WeakPolarHBondContact O-CG2 3.49Å; M38-V40 PolarHBondContact O-N 2.86Å; V40-L42 HydrophobicContact CG1-CD2 3.67Å; V40-L42 HydrophobicContact CG1-CG 3.88Å; V40-L72 PolarHBondContact N-O 3.11Å; V40-L72 PolarHBondContact O-N 3.2Å; V40-I77 HydrophobicContact CB-CD1 4.06Å; V40-I77 HydrophobicContact CG2-CD1 3.63Å; V40-M80 HydrophobicContact CG1-CE 4.11Å; V40-M80 HydrophobicContact CG2-CE 3.97Å; V40-M80 HydrophobicContact CG2-SD 4.03Å
41L97.1Very high93.7Very high47 Ų4758.1 Ų58.125%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-95.7122.9165.8-74.7176.1000109.8K32 A33 F69 L71K32-L41 HydrophobicContact CB-CB 4.33Å; K32-L41 PolarHBondContact N-O 3.1Å; A33-L41 HydrophobicContact CB-CB 4.08Å; A33-L41 HydrophobicContact CB-CD1 3.88Å; A33-L41 HydrophobicContact CB-CG 4.31Å; A33-L41 PolarHBondContact O-N 3.45Å; L41-F69 HydrophobicContact CD1-CZ 4.32Å; L41-F69 HydrophobicContact CD2-CE1 3.94Å; L41-F69 HydrophobicContact CD2-CZ 3.93Å; L41-L71 HydrophobicContact CD2-CB 3.73Å; L41-L71 HydrophobicContact CD2-CD1 3.54Å; L41-L71 HydrophobicContact CD2-CG 4.2Å; L41-L71 HydrophobicContact CG-CD1 3.88Å
42L97.1Very high92.5Very high0 Ų067.8 Ų67.80%032%0.32CS..EExtended strand (participates in β ladder)trans-116.3134172.7-62.3-177.9000109.5V19 L27 Y30 F31 V40 C45 V70 L72V19-L42 HydrophobicContact CG2-CD1 3.9Å; V19-L42 HydrophobicContact CG2-CD2 4.39Å; L27-L42 HydrophobicContact CB-CD1 4.27Å; Y30-L42 CarbonylContact O-C 3.55Å; Y30-L42 VanDerWaalsContact O-CA 3.29Å; Y30-L42 WeakPolarHBondContact O-CA 3.31Å; F31-L42 HydrophobicContact CB-CD2 4.23Å; F31-L42 HydrophobicContact CD2-CD2 4.29Å; V40-L42 HydrophobicContact CG1-CD2 3.67Å; V40-L42 HydrophobicContact CG1-CG 3.88Å; L42-C45 WeakPolarHBondContact CB-SG 3.41Å; L42-C45 PolarHBondContact O-SG 3.21Å; L42-V70 PolarHBondContact N-O 2.78Å; L42-V70 PolarHBondContact O-N 3.27Å; L42-L72 HydrophobicContact CD1-CD1 3.81Å; L42-L72 HydrophobicContact CG-CD1 4.41Å
43A95.9Very high91.2Very high13 Ų1366.1 Ų66.111%0.10732%0.32CS..EExtended strand (participates in β ladder)trans-101.7151170.800000111G29 Y30 K32 C45 F69G29-A43 CarbonylContact C-O 3.52Å; G29-A43 WeakPolarHBondContact CA-O 3.25Å; Y30-A43 PolarHBondContact N-O 2.93Å; Y30-A43 PolarHBondContact O-N 2.94Å; K32-A43 HydrophobicContact CG-CB 3.95Å; A43-C45 VanDerWaalsContact C-N 3.27Å; A43-C45 PolarHBondContact O-N 2.85Å; A43-F69 HydrophobicContact CB-CD2 3.93Å; A43-F69 HydrophobicContact CB-CE2 4.19Å
44D95.3Very high89.9Confident111 Ų11173.6 Ų73.659%0.59435%0.346SS*.EExtended strand (participates in β ladder)trans49.247-178.7-53.1-42.5000113.5Y30 G68Y30-D44 HydrophobicContact CD2-CB 4.18Å; Y30-D44 HydrophobicContact CE2-CB 4.41Å; D44-G68 PolarHBondContact N-O 3.18Å
45C96.5Very high88.6Confident0 Ų078.5 Ų78.50%038%0.38CS..EExtended strand (participates in β ladder)trans-74136.3-173.8-53.20000112.3V28 L42 A43 L67 G68 V70V28-C45 CarbonylContact O-C 3.52Å; V28-C45 VanDerWaalsContact O-CA 3.31Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; L42-C45 WeakPolarHBondContact CB-SG 3.41Å; L42-C45 PolarHBondContact O-SG 3.21Å; A43-C45 VanDerWaalsContact C-N 3.27Å; A43-C45 PolarHBondContact O-N 2.85Å; C45-L67 HydrophobicContact CB-CB 4.12Å; C45-L67 PolarHBondContact O-N 2.93Å; C45-G68 VanDerWaalsContact CB-O 3.31Å; C45-G68 WeakPolarHBondContact CB-O 3.43Å; C45-G68 PolarHBondContact N-O 2.66Å; C45-G68 PolarHBondContact O-N 2.77Å; C45-G68 PolarHBondContact SG-O 3.16Å; C45-V70 HydrophobicContact CB-CB 4.42Å; C45-V70 HydrophobicContact CB-CG2 3.82Å
46E96.7Very high87.4Confident38 Ų3879 Ų7918%0.17840%0.401CS..EExtended strand (participates in β ladder)trans-121.2132170.7-57.4-174.8153.700109.3L27 V28 F48 K64L27-E46 CarbonylContact C-O 3.55Å; L27-E46 WeakPolarHBondContact CA-O 3.18Å; V28-E46 PolarHBondContact N-O 2.99Å; V28-E46 PolarHBondContact O-N 2.82Å; E46-F48 HydrophobicContact CB-CE2 3.77Å; E46-F48 HydrophobicContact CB-CZ 4.16Å; E46-K64 WeakPolarHBondContact OE1-CE 3.13Å; E46-K64 IonicContact OE1-NZ 2.76Å; E46-K64 PolarHBondContact OE1-NZ 3.31Å; E46-K64 WeakPolarHBondContact OE2-CE 3.34Å; E46-K64 IonicContact OE2-NZ 3.79Å; E46-K64 PolarHBondContact OE2-NZ 3.09Å
47E95.8Very high86.1Confident8 Ų878.5 Ų78.54%0.03740%0.399CS..EExtended strand (participates in β ladder)trans-97.1132.6174.4180-17717500110.1R25 T26 L27 R49 K64 R65 L67R25-E47 WeakPolarHBondContact CD-OE1 3.43Å; R25-E47 IonicContact CZ-OE1 2.75Å; R25-E47 IonicContact NE-OE1 3.2Å; R25-E47 PolarHBondContact NE-OE1 3.1Å; R25-E47 IonicContact NH1-OE1 3.27Å; R25-E47 PolarHBondContact NH1-OE1 3.34Å; T26-E47 CarbonylContact O-C 3.57Å; T26-E47 WeakPolarHBondContact O-CA 3.35Å; L27-E47 HydrophobicContact CD2-CB 3.45Å; L27-E47 VanDerWaalsContact CD2-CB 3.45Å; L27-E47 HydrophobicContact CD2-CG 3.67Å; E47-R49 HydrophobicContact CG-CG 4.39Å; E47-R49 IonicContact OE1-CZ 3.62Å; E47-R49 IonicContact OE1-NE 3.91Å; E47-R49 PolarHBondContact OE1-NE 2.83Å; E47-R49 IonicContact OE1-NH2 3.64Å; E47-R49 PolarHBondContact OE1-NH2 2.97Å; E47-R49 IonicContact OE2-NH2 3.14Å; E47-K64 CarbonylContact O-C 3.51Å; E47-K64 WeakPolarHBondContact O-CA 3.39Å; E47-R65 HydrophobicContact CB-CB 4.28Å; E47-R65 PolarHBondContact N-O 3.26Å; E47-R65 PolarHBondContact O-N 3.23Å; E47-L67 HydrophobicContact CB-CD1 4.03Å; E47-L67 HydrophobicContact CB-CG 4.24Å
48F93.9Very high84.5Confident35 Ų3581.3 Ų81.315%0.15442%0.416CS..EExtended strand (participates in β ladder)trans-118.9123175.8-62.4-91.4000109.5T26 V28 E46 E62 E63 K64T26-F48 PolarHBondContact N-O 2.93Å; T26-F48 PolarHBondContact O-N 2.9Å; V28-F48 HydrophobicContact CB-CE2 4Å; V28-F48 HydrophobicContact CG2-CD2 3.95Å; V28-F48 HydrophobicContact CG2-CE2 3.72Å; E46-F48 HydrophobicContact CB-CE2 3.77Å; E46-F48 HydrophobicContact CB-CZ 4.16Å; F48-E62 HydrophobicContact CB-CG 3.93Å; F48-E62 VanDerWaalsContact CB-OE1 3.28Å; F48-E62 WeakPolarHBondContact CB-OE1 3.3Å; F48-E62 HydrophobicContact CD1-CG 3.84Å; F48-E62 HydrophobicContact CG-CG 4.37Å; F48-E63 WeakPolarHBondContact CA-O 3.16Å; F48-K64 HydrophobicContact CD1-CB 4.35Å; F48-K64 HydrophobicContact CE1-CB 4.2Å; F48-K64 HydrophobicContact CE1-CD 4.11Å; F48-K64 HydrophobicContact CE1-CG 4.11Å; F48-K64 HydrophobicContact CZ-CD 4.33Å; F48-K64 HydrophobicContact CZ-CG 4.44Å
49R91.2Very high83Confident63 Ų6380.2 Ų80.224%0.23842%0.423CS..EExtended strand (participates in β ladder)trans-113.6130.5174.3-62.4-175.7-175.4-175.93.6109.9R25 E47 V51 E62 E63 R65R25-R49 HydrophobicContact CG-CG 4.29Å; E47-R49 HydrophobicContact CG-CG 4.39Å; E47-R49 IonicContact OE1-CZ 3.62Å; E47-R49 IonicContact OE1-NE 3.91Å; E47-R49 PolarHBondContact OE1-NE 2.83Å; E47-R49 IonicContact OE1-NH2 3.64Å; E47-R49 PolarHBondContact OE1-NH2 2.97Å; E47-R49 IonicContact OE2-NH2 3.14Å; R49-V51 PolarHBondContact O-N 3.11Å; R49-E62 WeakPolarHBondContact O-CA 3.31Å; R49-E63 HydrophobicContact CB-CB 4.4Å; R49-E63 PolarHBondContact N-O 3.12Å; R49-E63 PolarHBondContact O-N 2.82Å; R49-R65 VanDerWaalsContact NH2-NH1 3.2Å
50R82.5Confident81.5Confident180 Ų18086.4 Ų86.468%0.67945%0.45SS*.EExtended strand (participates in β ladder)trans-80.1109.3170.1-66.1-177.5177.7-174.1-4.7108.9
51V80.7Confident80.4Confident66 Ų6695.7 Ų95.740%0.449%0.485SS..EExtended strand (participates in β ladder)trans-100.1119.2174.3-176.80000107.8R49 A53 R61 E63R49-V51 PolarHBondContact O-N 3.11Å; V51-A53 PolarHBondContact O-N 3.07Å; V51-A53 VanDerWaalsContact O-N 3.14Å; V51-R61 PolarHBondContact N-O 2.93Å; V51-R61 VanDerWaalsContact N-O 3.08Å; V51-E63 HydrophobicContact CG2-CB 4.11Å
52K71.7Confident79.6Confident203 Ų20398.6 Ų98.688%0.88350%0.497SS*.PPolyproline II helixtrans-59.5120.1171.3-68.9-175.9-179.6-179.80108
53A67.6Low79.1Confident40 Ų40102.7 Ų102.733%0.33152%0.516SS..PPolyproline II helixtrans-59.2143.4172.800000109.7V51 V55 K57 G59V51-A53 PolarHBondContact O-N 3.07Å; V51-A53 VanDerWaalsContact O-N 3.14Å; A53-V55 PolarHBondContact O-N 3.31Å; A53-K57 HydrophobicContact CB-CB 4.37Å; A53-K57 WeakPolarHBondContact CB-O 3.39Å; A53-G59 WeakPolarHBondContact CB-O 3.29Å
54K68.7Low79Confident195 Ų195107.4 Ų107.485%0.84854%0.535SS*.PPolyproline II helixtrans-55.7140.5170.4-72.5-176177.2-176.90108.9G56 K57K54-G56 PolarHBondContact O-N 3.13Å; K54-G56 VanDerWaalsContact O-N 3.13Å; K54-K57 PolarHBondContact O-N 2.8Å
55V67.7Low79Confident158 Ų158107.2 Ų107.296%0.95853%0.526SS*.THydrogen-bonded Turntrans-43.3118.7178.5-179.10000109.7A53A53-V55 PolarHBondContact O-N 3.31Å
56G66.8Low78.9Confident79 Ų79112 Ų11281%0.81456%0.555SS**THydrogen-bonded Turntrans117.7-8.8178.800000116.2K54K54-G56 PolarHBondContact O-N 3.13Å; K54-G56 VanDerWaalsContact O-N 3.13Å
57K65.1Low78.9Confident174 Ų174113.7 Ų113.776%0.75757%0.565SS**  trans-116.2112.4167.5-68.2-173.9179.9-172.80109.8A53 K54 G59A53-K57 HydrophobicContact CB-CB 4.37Å; A53-K57 WeakPolarHBondContact CB-O 3.39Å; K54-K57 PolarHBondContact O-N 2.8Å; K57-G59 PolarHBondContact O-N 3.44Å
58I58.7Low78.9Confident188 Ų188114.3 Ų114.396%0.96457%0.574SS**  trans-75.9105.1171.7-58.5168000106.3
59G62.1Low79Confident45 Ų45119.5 Ų119.546%0.46460%0.596SS.*SBendtrans168.6115.2176.100000110.3A53 K57 R61A53-G59 WeakPolarHBondContact CB-O 3.29Å; K57-G59 PolarHBondContact O-N 3.44Å; G59-R61 PolarHBondContact O-N 2.81Å; G59-R61 VanDerWaalsContact O-N 3.08Å
60E64.2Low79.2Confident171 Ų171117.7 Ų117.780%0.79959%0.592SS**  trans-62.9109.1168.1-63.1-172.2162.500107.6
61R73Confident79.9Confident195 Ų195114.9 Ų114.974%0.73659%0.59SS**EExtended strand (participates in β ladder)trans-88.7112.8174.2-170.5176.6-179.2179.70.1107.7V51 G59V51-R61 PolarHBondContact N-O 2.93Å; V51-R61 VanDerWaalsContact N-O 3.08Å; G59-R61 PolarHBondContact O-N 2.81Å; G59-R61 VanDerWaalsContact O-N 3.08Å
62E80Confident80.7Confident108 Ų108112.9 Ų112.951%0.50558%0.577SS.*EExtended strand (participates in β ladder)trans-84.1121.4169.8-157169.2-154.700108.7F48 R49F48-E62 HydrophobicContact CB-CG 3.93Å; F48-E62 VanDerWaalsContact CB-OE1 3.28Å; F48-E62 WeakPolarHBondContact CB-OE1 3.3Å; F48-E62 HydrophobicContact CD1-CG 3.84Å; F48-E62 HydrophobicContact CG-CG 4.37Å; R49-E62 WeakPolarHBondContact O-CA 3.31Å
63E88.3Confident81.8Confident86 Ų86110.7 Ų110.740%0.40256%0.563SS.*EExtended strand (participates in β ladder)trans-90.2118.4172.8-174.3-175.4160.900108.5F48 R49 V51 R65F48-E63 WeakPolarHBondContact CA-O 3.16Å; R49-E63 HydrophobicContact CB-CB 4.4Å; R49-E63 PolarHBondContact N-O 3.12Å; R49-E63 PolarHBondContact O-N 2.82Å; V51-E63 HydrophobicContact CG2-CB 4.11Å; E63-R65 IonicContact OE1-NH2 3.65Å
64K92.3Very high83.2Confident113 Ų113109.2 Ų109.249%0.49155%0.552SS.*EExtended strand (participates in β ladder)trans-96.3132.4177.7176.3176.2168.11610110.6E46 E47 F48E46-K64 WeakPolarHBondContact OE1-CE 3.13Å; E46-K64 IonicContact OE1-NZ 2.76Å; E46-K64 PolarHBondContact OE1-NZ 3.31Å; E46-K64 WeakPolarHBondContact OE2-CE 3.34Å; E46-K64 IonicContact OE2-NZ 3.79Å; E46-K64 PolarHBondContact OE2-NZ 3.09Å; E47-K64 CarbonylContact O-C 3.51Å; E47-K64 WeakPolarHBondContact O-CA 3.39Å; F48-K64 HydrophobicContact CD1-CB 4.35Å; F48-K64 HydrophobicContact CE1-CB 4.2Å; F48-K64 HydrophobicContact CE1-CD 4.11Å; F48-K64 HydrophobicContact CE1-CG 4.11Å; F48-K64 HydrophobicContact CZ-CD 4.33Å; F48-K64 HydrophobicContact CZ-CG 4.44Å
65R94.9Very high84.5Confident106 Ų106105.5 Ų105.540%0.454%0.538SS..EExtended strand (participates in β ladder)trans-132.1123.7173.7178.6-178.8-61178.51110.6E47 R49 E63 L67E47-R65 HydrophobicContact CB-CB 4.28Å; E47-R65 PolarHBondContact N-O 3.26Å; E47-R65 PolarHBondContact O-N 3.23Å; R49-R65 VanDerWaalsContact NH2-NH1 3.2Å; E63-R65 IonicContact OE1-NH2 3.65Å; R65-L67 HydrophobicContact CG-CD2 4.23Å
66T95.9Very high85.8Confident102 Ų102102.2 Ų102.263%0.62651%0.512SS*.EExtended strand (participates in β ladder)trans-78.6130.2174.7-50.50000110
67L95.4Very high87.2Confident73 Ų7399.7 Ų99.738%0.38248%0.479SS..EExtended strand (participates in β ladder)trans-109.1-38.3177.6-59178.3000112L27 C45 E47 R65 V70L27-L67 HydrophobicContact CD2-CD1 3.8Å; C45-L67 HydrophobicContact CB-CB 4.12Å; C45-L67 PolarHBondContact O-N 2.93Å; E47-L67 HydrophobicContact CB-CD1 4.03Å; E47-L67 HydrophobicContact CB-CG 4.24Å; R65-L67 HydrophobicContact CG-CD2 4.23Å; L67-V70 HydrophobicContact CB-CG2 3.56Å; L67-V70 HydrophobicContact CD1-CG2 3.97Å; L67-V70 HydrophobicContact CG-CG2 4.43Å
68G95.8Very high88.7Confident21 Ų2195.9 Ų95.922%0.21647%0.47CS..EExtended strand (participates in β ladder)trans90.2-122.5-17600000112.3D44 C45D44-G68 PolarHBondContact N-O 3.18Å; C45-G68 VanDerWaalsContact CB-O 3.31Å; C45-G68 WeakPolarHBondContact CB-O 3.43Å; C45-G68 PolarHBondContact N-O 2.66Å; C45-G68 PolarHBondContact O-N 2.77Å; C45-G68 PolarHBondContact SG-O 3.16Å
69F96.1Very high90.4Very high143 Ų14389.3 Ų89.363%0.62744%0.441SS*.EExtended strand (participates in β ladder)trans-91.8119.8-179.1-166.4-107.3000111.3L41 A43L41-F69 HydrophobicContact CD1-CZ 4.32Å; L41-F69 HydrophobicContact CD2-CE1 3.94Å; L41-F69 HydrophobicContact CD2-CZ 3.93Å; A43-F69 HydrophobicContact CB-CD2 3.93Å; A43-F69 HydrophobicContact CB-CE2 4.19Å
70V96.7Very high91.9Very high26 Ų2689.1 Ų89.116%0.15843%0.429CS..EExtended strand (participates in β ladder)trans-130.1132.7-170.9-175.70000111.3L42 C45 L67 L72L42-V70 PolarHBondContact N-O 2.78Å; L42-V70 PolarHBondContact O-N 3.27Å; C45-V70 HydrophobicContact CB-CB 4.42Å; C45-V70 HydrophobicContact CB-CG2 3.82Å; L67-V70 HydrophobicContact CB-CG2 3.56Å; L67-V70 HydrophobicContact CD1-CG2 3.97Å; L67-V70 HydrophobicContact CG-CG2 4.43Å; V70-L72 HydrophobicContact CG1-CD2 3.62Å; V70-L72 HydrophobicContact CG1-CG 3.94Å
71L96.7Very high93.5Very high121 Ų12184.4 Ų84.463%0.63441%0.412SS*.EExtended strand (participates in β ladder)trans-99.1119.7163.9178.267.1000109.2N39 L41N39-L71 HydrophobicContact CB-CD1 4.49Å; L41-L71 HydrophobicContact CD2-CB 3.73Å; L41-L71 HydrophobicContact CD2-CD1 3.54Å; L41-L71 HydrophobicContact CD2-CG 4.2Å; L41-L71 HydrophobicContact CG-CD1 3.88Å
72L96.3Very high94.6Very high23 Ų2378.4 Ų78.412%0.1240%0.397CS..EExtended strand (participates in β ladder)trans-104.1135.2177.2-62.6172.9000110.5V19 L27 N39 V40 L42 V70 I77V19-L72 HydrophobicContact CG1-CD1 4.35Å; L27-L72 HydrophobicContact CD1-CD1 3.42Å; L27-L72 VanDerWaalsContact CD1-CD1 3.42Å; L27-L72 HydrophobicContact CD1-CD2 3.5Å; L27-L72 HydrophobicContact CD1-CG 4.04Å; N39-L72 CarbonylContact C-O 3.49Å; N39-L72 WeakPolarHBondContact CA-O 3.49Å; V40-L72 PolarHBondContact N-O 3.11Å; V40-L72 PolarHBondContact O-N 3.2Å; L42-L72 HydrophobicContact CD1-CD1 3.81Å; L42-L72 HydrophobicContact CG-CD1 4.41Å; V70-L72 HydrophobicContact CG1-CD2 3.62Å; V70-L72 HydrophobicContact CG1-CG 3.94Å; L72-I77 HydrophobicContact CB-CD1 4.46Å
73R96Very high95.3Very high157 Ų15777.7 Ų77.759%0.59239%0.393SS*.  trans-74.9129.4170.9-170.6-179.6177.2119.1-2.3109.4N39 E75 H76N39-R73 WeakPolarHBondContact OD1-CA 3.07Å; R73-E75 HydrophobicContact CG-CB 4.22Å; R73-E75 IonicContact CZ-OE2 2.98Å; R73-E75 IonicContact NE-OE2 3.5Å; R73-E75 PolarHBondContact NE-OE2 3.27Å; R73-E75 IonicContact NH2-OE2 3.41Å; R73-E75 PolarHBondContact NH2-OE2 2.86Å; R73-E75 PolarHBondContact O-N 2.65Å; R73-H76 PolarHBondContact O-N 2.72Å; R73-H76 VanDerWaalsContact O-N 3.17Å
74G95.8Very high95.6Very high10 Ų1074.2 Ų74.210%0.10338%0.38CS..G310 helixtrans-64.5-22.9-173.200000115.3H37 M38 N39 H76 I77H37-G74 WeakPolarHBondContact O-CA 3.19Å; M38-G74 VanDerWaalsContact C-CA 3.41Å; M38-G74 WeakPolarHBondContact O-CA 3.5Å; M38-G74 PolarHBondContact O-N 3.3Å; N39-G74 PolarHBondContact OD1-N 2.81Å; G74-H76 PolarHBondContact O-N 2.91Å; G74-I77 PolarHBondContact O-N 2.76Å; G74-I77 VanDerWaalsContact O-N 3.1Å
75E96.4Very high95.7Very high117 Ų11773.6 Ų73.655%0.54739%0.388SS..G310 helixtrans-56.5-30.6174.3-174.9176.916900113.3Q22 R73Q22-E75 VanDerWaalsContact CD-O 3.27Å; Q22-E75 PolarHBondContact NE2-O 2.87Å; Q22-E75 PolarHBondContact OE1-O 3.17Å; R73-E75 HydrophobicContact CG-CB 4.22Å; R73-E75 IonicContact CZ-OE2 2.98Å; R73-E75 IonicContact NE-OE2 3.5Å; R73-E75 PolarHBondContact NE-OE2 3.27Å; R73-E75 IonicContact NH2-OE2 3.41Å; R73-E75 PolarHBondContact NH2-OE2 2.86Å; R73-E75 PolarHBondContact O-N 2.65Å
76H96.2Very high95.6Very high88 Ų8870.8 Ų70.841%0.40738%0.384SS..G310 helixtrans-90.6-5.9-178.9-60.1-50000113.7L21 Q22 R73 G74L21-H76 CarbonylContact C-O 3.53Å; L21-H76 VanDerWaalsContact CA-O 3.25Å; L21-H76 WeakPolarHBondContact CA-O 3.39Å; L21-H76 HydrophobicContact CD2-CB 4.45Å; Q22-H76 PolarHBondContact N-O 3.48Å; Q22-H76 PolarHBondContact OE1-ND1 3.47Å; R73-H76 PolarHBondContact O-N 2.72Å; R73-H76 VanDerWaalsContact O-N 3.17Å; G74-H76 PolarHBondContact O-N 2.91Å
77I95.9Very high95.2Very high27 Ų2767.6 Ų67.614%0.13837%0.365CS..EExtended strand (participates in β ladder)trans-86.3123.8-176.6-59.9-179.9000109.4V19 L21 M38 V40 L72 G74 M80V19-I77 HydrophobicContact CG1-CB 4.48Å; V19-I77 HydrophobicContact CG1-CD1 4.25Å; V19-I77 HydrophobicContact CG1-CG1 4.04Å; V19-I77 HydrophobicContact CG1-CG2 3.88Å; L21-I77 HydrophobicContact CD2-CG1 4.37Å; M38-I77 WeakPolarHBondContact O-CD1 3.32Å; V40-I77 HydrophobicContact CB-CD1 4.06Å; V40-I77 HydrophobicContact CG2-CD1 3.63Å; L72-I77 HydrophobicContact CB-CD1 4.46Å; G74-I77 PolarHBondContact O-N 2.76Å; G74-I77 VanDerWaalsContact O-N 3.1Å; I77-M80 HydrophobicContact CG2-CG 3.84Å; I77-M80 HydrophobicContact CG2-SD 4.37Å
78V95.7Very high94.7Very high93 Ų9371.6 Ų71.656%0.56438%0.379SS*.EExtended strand (participates in β ladder)trans-92.5-48.7175.4179.10000110.6V20 Q22V20-V78 PolarHBondContact O-N 2.82Å; Q22-V78 HydrophobicContact CB-CG2 4.29Å; Q22-V78 HydrophobicContact CG-CG2 3.72Å
79S94.5Very high93.5Very high51 Ų5178.6 Ų78.636%0.35741%0.406SS..EExtended strand (participates in β ladder)trans-154.1157.9-179.865.20000112.1V19 V20V19-S79 WeakPolarHBondContact CA-O 3.48Å; V20-S79 PolarHBondContact N-O 3.18Å
80M94.7Very high91.8Very high40 Ų4078.1 Ų78.120%0.19741%0.41CS..EExtended strand (participates in β ladder)trans-132.5133.6176.1-57.3178.269.500109.6M9 M17 K18 V19 F31 M38 V40 I77M9-M80 HydrophobicContact CE-CE 4.41Å; M9-M80 HydrophobicContact CE-SD 4.13Å; M17-M80 HydrophobicContact CE-CB 3.75Å; M17-M80 HydrophobicContact CE-CE 3.85Å; M17-M80 HydrophobicContact SD-CE 3.68Å; K18-M80 CarbonylContact O-C 3.54Å; K18-M80 WeakPolarHBondContact O-CA 3.31Å; V19-M80 HydrophobicContact CG1-CG 4.27Å; V19-M80 HydrophobicContact CG2-CE 3.93Å; V19-M80 HydrophobicContact CG2-CG 4.1Å; F31-M80 HydrophobicContact CD2-CE 3.94Å; F31-M80 HydrophobicContact CE2-CE 3.92Å; M38-M80 HydrophobicContact CE-SD 3.92Å; V40-M80 HydrophobicContact CG1-CE 4.11Å; V40-M80 HydrophobicContact CG2-CE 3.97Å; V40-M80 HydrophobicContact CG2-SD 4.03Å; I77-M80 HydrophobicContact CG2-CG 3.84Å; I77-M80 HydrophobicContact CG2-SD 4.37Å
81T95.9Very high90Very high72 Ų7282.9 Ų82.944%0.44243%0.434SS..EExtended strand (participates in β ladder)trans-134.2147.3179.156.80000110.6M17 K18 E83M17-T81 WeakPolarHBondContact CA-O 3.37Å; K18-T81 PolarHBondContact N-O 2.93Å; K18-T81 PolarHBondContact O-N 2.85Å; T81-E83 PolarHBondContact O-N 3.5Å
82V96.1Very high88.2Confident70 Ų7081.9 Ų81.942%0.42443%0.429SS..EExtended strand (participates in β ladder)trans-71.9125.8174.6-177.80000109.3H12 Y15H12-V82 WeakPolarHBondContact CD2-CG2 3.38Å; Y15-V82 HydrophobicContact CD1-CG1 3.69Å; Y15-V82 HydrophobicContact CE1-CG1 4.47Å; Y15-V82 HydrophobicContact CG-CG1 4.49Å
83E94.9Very high86.4Confident93 Ų9386.5 Ų86.544%0.43546%0.46SS..EExtended strand (participates in β ladder)trans-102.2-38176.2-174.3-87.3173.500111.3R16 K18 V28 T81R16-E83 WeakPolarHBondContact CD-OE2 3.43Å; R16-E83 WeakPolarHBondContact CG-OE2 3.3Å; R16-E83 IonicContact CZ-OE1 3.47Å; R16-E83 IonicContact CZ-OE2 2.65Å; R16-E83 IonicContact NE-OE2 2.93Å; R16-E83 PolarHBondContact NE-OE2 2.75Å; R16-E83 IonicContact NH1-OE1 2.85Å; R16-E83 PolarHBondContact NH1-OE1 3.27Å; R16-E83 IonicContact NH1-OE2 3.89Å; R16-E83 PolarHBondContact NH1-OE2 3.2Å; R16-E83 PolarHBondContact O-N 3.05Å; K18-E83 HydrophobicContact CB-CB 4.3Å; V28-E83 HydrophobicContact CG1-CB 4.47Å; V28-E83 HydrophobicContact CG1-CG 4.22Å; T81-E83 PolarHBondContact O-N 3.5Å
84G94.9Very high84.6Confident12 Ų1287.4 Ų87.412%0.12447%0.469CS..EExtended strand (participates in β ladder)trans-157.7165.8-175.600000113.8R16R16-G84 PolarHBondContact N-O 3.29Å; R16-G84 PolarHBondContact O-N 2.93Å; R16-G84 VanDerWaalsContact O-N 3.1Å
85P94.8Very high82.9Confident100 Ų10092.8 Ų92.865%0.64950%0.499SS*.PPolyproline II helixtrans-68.2165.5179.930.9-35.8000111.7
86P92.9Very high81Confident48 Ų4891 Ų9131%0.31250%0.498SS..PPolyproline II helixtrans-56.8143.3169.5-24.235000112.3N14 Y15N14-P86 HydrophobicContact CB-CB 3.99Å; N14-P86 HydrophobicContact CB-CG 4.33Å; N14-P86 VanDerWaalsContact O-CA 3.25Å; N14-P86 WeakPolarHBondContact O-CA 3.48Å; N14-P86 WeakPolarHBondContact O-CB 3.41Å; Y15-P86 HydrophobicContact CD1-CG 4.42Å; Y15-P86 HydrophobicContact CD2-CG 3.66Å; Y15-P86 HydrophobicContact CE1-CG 4.45Å; Y15-P86 HydrophobicContact CE2-CG 3.67Å; Y15-P86 HydrophobicContact CG-CG 4.05Å
87P88.1Confident78.9Confident35 Ų3595.7 Ų95.723%0.22752%0.517CS..PPolyproline II helixtrans-66.2143.2173.123.5-17.6000108.8N14 Y30N14-P87 WeakPolarHBondContact O-CD 3.5Å; Y30-P87 VanDerWaalsContact CD1-CD 3.44Å; Y30-P87 HydrophobicContact CD1-CG 3.68Å; Y30-P87 HydrophobicContact CD2-CG 4.23Å; Y30-P87 HydrophobicContact CE1-CB 3.92Å; Y30-P87 HydrophobicContact CE1-CG 3.43Å; Y30-P87 VanDerWaalsContact CE1-CG 3.43Å; Y30-P87 HydrophobicContact CE2-CB 4.38Å; Y30-P87 HydrophobicContact CE2-CG 4.01Å; Y30-P87 HydrophobicContact CG-CG 4.06Å
88K84.5Confident76.7Confident156 Ų15699.8 Ų99.868%0.67856%0.555SS**PPolyproline II helixtrans-67.5141.9174.9-63.2177.7-177.9175.30107.8D90 D91K88-D90 PolarHBondContact O-N 3.43Å; K88-D91 PolarHBondContact O-N 3.22Å
89E69.7Low74.8Confident169 Ų16999.3 Ų99.379%0.7957%0.569SS**G310 helixtrans-60.6-15.3-177.5-61.9-174.915800113.2D91E89-D91 VanDerWaalsContact C-N 3.29Å; E89-D91 PolarHBondContact O-N 2.97Å
90D60.9Low72.8Confident133 Ų13399.7 Ų99.771%0.71158%0.581SS**G310 helixtrans-70.2-19.8175.6-59.6-54.3000114K88K88-D90 PolarHBondContact O-N 3.43Å
91D58.5Low70.8Confident125 Ų125102.9 Ų102.967%0.66860%0.598SS**G310 helixtrans-95.2-3.5-178.4-69.1-54.7000113.9K88 E89 P93K88-D91 PolarHBondContact O-N 3.22Å; E89-D91 VanDerWaalsContact C-N 3.29Å; E89-D91 PolarHBondContact O-N 2.97Å; D91-P93 WeakPolarHBondContact O-CD 3.25Å
92L60Low68.7Low101 Ų101106.9 Ų106.953%0.52962%0.622SS.*SBendtrans-68.8128.7169.5-86.384.1000107.8K94L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 3.35Å
93P58.7Low67.2Low119 Ų119104.9 Ų104.977%0.77362%0.616SS**  trans-60.199.4168.223.6-29.6000106.8D91 V95D91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-V95 PolarHBondContact O-N 3.1Å
94K57.7Low65.6Low176 Ų176107.6 Ų107.677%0.76564%0.641SS**  trans-59.692163.6-85.5168.4179.7159.40104.3L92 P96L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 3.35Å; K94-P96 WeakPolarHBondContact O-CD 3.47Å
95V59.9Low64.3Low124 Ų124111 Ų11175%0.75268%0.676SS**PPolyproline II helixtrans-46.3121.1159.1-176.20000103.5P93 K97P93-V95 PolarHBondContact O-N 3.1Å; V95-K97 PolarHBondContact O-N 3.03Å
96P56.3Low62.6Low79 Ų79111.2 Ų111.251%0.51367%0.671SS.*PPolyproline II helixtrans-50.4116.5175.6-2532.8000105.9K94 A98 I101K94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-A98 PolarHBondContact O-N 3.05Å; P96-I101 HydrophobicContact CB-CD1 3.61Å; P96-I101 HydrophobicContact CB-CG1 4.21Å; P96-I101 HydrophobicContact CG-CD1 3.77Å
97K53.2Low61Low186 Ų186113.4 Ų113.481%0.80969%0.693SS**PPolyproline II helixtrans-46.9116.7165.4-96.9-178.9174.6176.30104.4V95 G99 G100V95-K97 PolarHBondContact O-N 3.03Å; K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 3.19Å; K97-G100 PolarHBondContact O-N 3.2Å
98A49.3Very low59.7Low113 Ų113120.9 Ų120.993%0.93472%0.722SS**THydrogen-bonded Turntrans-51.9103171.600000106.2P96P96-A98 PolarHBondContact O-N 3.05Å
99G54.3Low58.7Low83 Ų83119.4 Ų119.486%0.85673%0.728SS**THydrogen-bonded Turntrans127.4-5.1-17200000117.7K97K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 3.19Å
100G53.8Low58.2Low60 Ų60116.6 Ų116.662%0.61973%0.734SS**  trans-108.1-12-173.400000117.9K97K97-G100 PolarHBondContact O-N 3.2Å
101I51.8Low57.8Low106 Ų106113.3 Ų113.354%0.54473%0.731SS.*  trans-103.4122179.7-59.4179.1000107.6P96 G103 I106P96-I101 HydrophobicContact CB-CD1 3.61Å; P96-I101 HydrophobicContact CB-CG1 4.21Å; P96-I101 HydrophobicContact CG-CD1 3.77Å; I101-G103 PolarHBondContact O-N 3.36Å; I101-I106 WeakPolarHBondContact O-CD1 3.35Å
102V53Low57.3Low156 Ų156119.8 Ų119.895%0.94575%0.746SS**  trans-89.688.8172.1-176.90000106.6
103G63.7Low56.8Low29 Ų29118.4 Ų118.430%0.29976%0.756SS.*  trans-125.3146.8177.600000110.9I101 G105I101-G103 PolarHBondContact O-N 3.36Å; G103-G105 PolarHBondContact O-N 3.25Å
104P62.1Low56.6Low149 Ų149120.5 Ų120.597%0.96876%0.76SS**THydrogen-bonded Turntrans-55.9124.5171.1-18.329.8000109.7
105G66.3Low56.4Low83 Ų83117.1 Ų117.186%0.85676%0.756SS**THydrogen-bonded Turntrans116.112.4176.100000117.6G103G103-G105 PolarHBondContact O-N 3.25Å
106I59.9Low56Low106 Ų106118.1 Ų118.154%0.54476%0.762SS.*PPolyproline II helixtrans-93.3121.5-179.9-63.4167.1000111.7I101 K108I101-I106 WeakPolarHBondContact O-CD1 3.35Å; I106-K108 PolarHBondContact O-N 2.91Å
107A58.5Low56.2Low93 Ų93119.8 Ų119.877%0.76977%0.771SS**PPolyproline II helixtrans-72.9117.5171.900000110.6
108K62.7Low56.7Low193 Ų193115.8 Ų115.884%0.83976%0.763SS**PPolyproline II helixtrans-80.2124.3169.5-67.7179.4179.7175.10108.6I106 A110I106-K108 PolarHBondContact O-N 2.91Å; K108-A110 PolarHBondContact O-N 3.04Å
109P63.4Low57.3Low124 Ų124116 Ų11681%0.80576%0.755SS**PPolyproline II helixtrans-65126.3171.626.9-31.8000109G111P109-G111 VanDerWaalsContact C-N 3.27Å; P109-G111 PolarHBondContact O-N 3.04Å
110A58.2Low57.5Low110 Ų110117.7 Ų117.791%0.90975%0.751SS**  trans-70.284.8175.700000109.6K108 R112K108-A110 PolarHBondContact O-N 3.04Å; A110-R112 PolarHBondContact O-N 2.98Å
111G52.7Low58.2Low64 Ų64117.5 Ų117.566%0.6675%0.75SS**  trans-68.5116.2175.200000111.1P109 G113P109-G111 VanDerWaalsContact C-N 3.27Å; P109-G111 PolarHBondContact O-N 3.04Å; G111-G113 PolarHBondContact O-N 2.85Å
112R48.3Very low58.6Low262 Ų262118.6 Ų118.699%0.98976%0.764SS**SBendtrans-56.8108.8171.9-169.3160.1177.1136.8-7110.1A110A110-R112 PolarHBondContact O-N 2.98Å
113G49.5Very low58.7Low71 Ų71116.3 Ų116.373%0.73275%0.75SS**  trans144.635.4171.400000117.3G111 P115G111-G113 PolarHBondContact O-N 2.85Å; G113-P115 WeakPolarHBondContact O-CD 3.33Å
114L54.2Low58.3Low163 Ų163121.4 Ų121.485%0.85378%0.778SS**  trans-61.7126.3172-72.9169.2000109.9V116L114-V116 PolarHBondContact O-N 2.71Å
115P54.4Low58.2Low105 Ų105117.8 Ų117.868%0.68277%0.767SS**  trans-60.5130.8165.325.8-31.3000108G113 V117G113-P115 WeakPolarHBondContact O-CD 3.33Å; P115-V117 VanDerWaalsContact C-N 3.33Å; P115-V117 PolarHBondContact O-N 2.74Å
116V51Low57.9Low146 Ų146121.4 Ų121.489%0.88577%0.766SS**  trans-63.496.1174.4178.20000107.6L114L114-V116 PolarHBondContact O-N 2.71Å
117V60Low57.5Low114 Ų114125.5 Ų125.569%0.69178%0.783SS**PPolyproline II helixtrans-93.7128.1165.5-1790000106.6P115P115-V117 VanDerWaalsContact C-N 3.33Å; P115-V117 PolarHBondContact O-N 2.74Å
118P63.7Low57.5Low101 Ų101123.6 Ų123.666%0.65677%0.773SS**PPolyproline II helixtrans-57137.9177.1-18.329.4000109.8
119P61.4Low57.4Low117 Ų117120.8 Ų120.876%0.7677%0.774SS**PPolyproline II helixtrans-61.8138.2-178.813.1-12.3000109.8
120P60.1Low56.9Low119 Ų119119.9 Ų119.977%0.77377%0.766SS**PPolyproline II helixtrans-59.3146.1162.4-5.620.8000107.6
121G68.5Low56.7Low57 Ų57126.8 Ų126.859%0.58877%0.769SS**SBendtrans-48.8162.9-179.800000114T123G121-T123 PolarHBondContact O-N 3.45Å; G121-T123 VanDerWaalsContact O-N 3.09Å
122P58.9Low57.1Low129 Ų129127.5 Ų127.584%0.83878%0.777SS**PPolyproline II helixtrans-55.6118.7-166.524.1-33.5000110.6P124P122-P124 WeakPolarHBondContact O-CD 2.75Å
123T56.4Low57.5Low108 Ų108120.6 Ų120.666%0.66376%0.763SS**PPolyproline II helixtrans-64.2117.7170.738.30000108.7G121 G125G121-T123 PolarHBondContact O-N 3.45Å; G121-T123 VanDerWaalsContact O-N 3.09Å; T123-G125 PolarHBondContact O-N 3.34Å
124P53.4Low58Low136 Ų136121 Ų12188%0.88377%0.768SS**THydrogen-bonded Turntrans-69105.7172.4-13.829.8000107.7P122P122-P124 WeakPolarHBondContact O-CD 2.75Å
125G61.6Low58.6Low72 Ų72116.4 Ų116.474%0.74276%0.759SS**THydrogen-bonded Turntrans153.2-14.1174.600000117.3T123T123-G125 PolarHBondContact O-N 3.34Å
126L59.3Low58.8Low159 Ų159115.5 Ų115.583%0.83275%0.754SS**  trans-100.555.1170.5-89.482.1000110.8G128L126-G128 PolarHBondContact O-N 3.25Å
127Q52.1Low59.3Low192 Ų192111.4 Ų111.490%0.89774%0.735SS**  trans-71.3107.5160.4-10317322.800107.3
128G58.6Low59.4Low54 Ų54111.3 Ų111.356%0.55774%0.737SS**PPolyproline II helixtrans-58.9163.5175.400000112.2L126 V130L126-G128 PolarHBondContact O-N 3.25Å; G128-V130 PolarHBondContact O-N 2.87Å
129P58.9Low59.5Low134 Ų134109.2 Ų109.287%0.8773%0.734SS**PPolyproline II helixtrans-55.6126.4-178.420.9-30.4000110.6R131P129-R131 PolarHBondContact O-N 2.94Å; P129-R131 VanDerWaalsContact O-N 3.13Å
130V54.8Low59.8Low105 Ų105109.7 Ų109.764%0.63673%0.728SS**PPolyproline II helixtrans-56.8116.8178.3179.70000108.6G128 G132 V133G128-V130 PolarHBondContact O-N 2.87Å; V130-G132 PolarHBondContact O-N 2.78Å; V130-V133 HydrophobicContact CG1-CG2 4.22Å; V130-V133 PolarHBondContact O-N 3.35Å
131R52.2Low60Low254 Ų254110.9 Ų110.996%0.95873%0.725SS**THydrogen-bonded Turntrans-57.3106.7174.5-177.2170.9173.1131.1-3.9108.6P129P129-R131 PolarHBondContact O-N 2.94Å; P129-R131 VanDerWaalsContact O-N 3.13Å
132G61.2Low59.9Low80 Ų80115.3 Ų115.383%0.82573%0.731SS**THydrogen-bonded Turntrans120.5-1.1178.100000116.2V130V130-G132 PolarHBondContact O-N 2.78Å
133V57.3Low59.9Low117 Ų117114.8 Ų114.871%0.70973%0.727SS**SBendtrans-126.8118.5179.5-175.90000110.3V130V130-V133 HydrophobicContact CG1-CG2 4.22Å; V130-V133 PolarHBondContact O-N 3.35Å
134G60.6Low60.1Low80 Ų80118.2 Ų118.283%0.82574%0.736SS**SBendtrans99.911.3165.600000118.1
135G65.2Low60.3Low66 Ų66122.8 Ų122.868%0.6874%0.737SS**PPolyproline II helixtrans-81.3135.6175.800000113.1
136P60.6Low60Low86 Ų86122.1 Ų122.156%0.55873%0.73SS**PPolyproline II helixtrans-59.7143.9174.5-8.318.1000111.4I140P136-I140 HydrophobicContact CB-CD1 3.72Å
137A60.6Low59.8Low60 Ų60120.2 Ų120.250%0.49673%0.725SS.*PPolyproline II helixtrans-54.5142.2-179.900000111.9G139 I140A137-G139 PolarHBondContact O-N 3.45Å; A137-I140 HydrophobicContact CB-CD1 4.3Å; A137-I140 WeakPolarHBondContact O-CG1 3.48Å; A137-I140 PolarHBondContact O-N 3.29Å
138P61.9Low60Low112 Ų112115.5 Ų115.573%0.72771%0.711SS**G310 helixtrans-56-21.1-177-25.633.2000115.1I140 M141P138-I140 PolarHBondContact O-N 2.85Å; P138-M141 PolarHBondContact O-N 3.29Å
139G65.4Low59.7Low57 Ų57119.6 Ų119.659%0.58873%0.727SS**G310 helixtrans-67.5-19.8175.500000114.3A137 M141A137-G139 PolarHBondContact O-N 3.45Å; G139-M141 VanDerWaalsContact C-N 3.34Å
140I67.8Low59.7Low126 Ų126116.6 Ų116.665%0.64672%0.721SS**G310 helixtrans-83.6-17179.4-44.6167.1000110.7P136 A137 P138P136-I140 HydrophobicContact CB-CD1 3.72Å; A137-I140 HydrophobicContact CB-CD1 4.3Å; A137-I140 WeakPolarHBondContact O-CG1 3.48Å; A137-I140 PolarHBondContact O-N 3.29Å; P138-I140 PolarHBondContact O-N 2.85Å
141M64.5Low59.8Low145 Ų145119 Ų11971%0.71473%0.727SS**G310 helixtrans-92.93178.2-71.2-171.3178.300113.7P138 G139 P143P138-M141 PolarHBondContact O-N 3.29Å; G139-M141 VanDerWaalsContact C-N 3.34Å; M141-P143 WeakPolarHBondContact O-CD 3.4Å
142Q65.7Low60Low150 Ų150113.5 Ų113.570%0.70172%0.715SS**PPolyproline II helixtrans-79.7121.2177.6-74-170.5-6.600111Q144Q142-Q144 PolarHBondContact O-N 2.95Å
143P59.9Low60Low117 Ų117113.5 Ų113.576%0.7670%0.701SS**PPolyproline II helixtrans-62.8121.7170-16.129.9000109.8M141 Y145M141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-Y145 PolarHBondContact O-N 3.35Å
144Q60.2Low59.9Low181 Ų181114.5 Ų114.585%0.84671%0.71SS**PPolyproline II helixtrans-59.8122.2169-77.4-81.4-70.800109.8Q142Q142-Q144 PolarHBondContact O-N 2.95Å
145Y58.2Low59.9Low232 Ų232114.1 Ų114.191%0.9171%0.706SS**PPolyproline II helixtrans-79124.3167.4-110.1-94.6000109.4P143P143-Y145 PolarHBondContact O-N 3.35Å
146G54Low59.6Low58 Ų58118.1 Ų118.160%0.59871%0.708SS**  trans81.4125172.100000112.2
147V56.3Low59.6Low118 Ų118120.4 Ų120.472%0.71572%0.721SS**  cis-152140.943.6-168.40000107
148P55.5Low59.9Low94 Ų94123.1 Ų123.161%0.6173%0.733SS**  trans-61.2139.7175.824.1-32.7000111G150P148-G150 PolarHBondContact O-N 3.21Å
149P52.9Low60.2Low139 Ų139123.8 Ų123.890%0.90374%0.738SS**THydrogen-bonded Turntrans-65.6107.9174.626.5-32.1000109
150G59.4Low60.3Low71 Ų71131.7 Ų131.773%0.73275%0.75SS**THydrogen-bonded Turntrans168.8-18-178.500000116.4P148 I152P148-G150 PolarHBondContact O-N 3.21Å; G150-I152 PolarHBondContact O-N 3.23Å
151M56.5Low60.4Low156 Ų156130.7 Ų130.777%0.76875%0.751SS**  trans-87.998.6171.9-92.395.6163.200110.9
152I57Low60.8Low139 Ų139129.1 Ų129.171%0.71375%0.752SS**  trans-72.7122.5158.7-56.4171000106.4G150G150-I152 PolarHBondContact O-N 3.23Å
153P59.4Low60.7Low80 Ų80127.4 Ų127.452%0.51975%0.754SS.*  trans-62.4137.617625-32.5000110.1G155P153-G155 PolarHBondContact O-N 3.33Å
154P55.7Low60.6Low138 Ų138128.4 Ų128.490%0.89676%0.758SS**THydrogen-bonded Turntrans-63.4111.9177.624.1-30.2000109.2
155G60.3Low60.4Low72 Ų72124.1 Ų124.174%0.74275%0.753SS**THydrogen-bonded Turntrans151.5-10.5178.700000116P153P153-G155 PolarHBondContact O-N 3.33Å
156M60.1Low60.1Low149 Ų149121.2 Ų121.273%0.73475%0.75SS**  trans-114.986.1-179.1-76.9161.2167.400110.9P158M156-P158 WeakPolarHBondContact O-CD 3.21Å
157V60.8Low60Low135 Ų135123.1 Ų123.182%0.81876%0.76SS**PPolyproline II helixtrans-69.1118164.6-82.90000109
158P65.7Low59.5Low116 Ų116120.9 Ų120.975%0.75376%0.76SS**PPolyproline II helixtrans-68.8137.8170.526.7-30.6000109.4M156 R160M156-P158 WeakPolarHBondContact O-CD 3.21Å; P158-R160 PolarHBondContact O-N 2.95Å
159P69.6Low59.8Low127 Ų127122.1 Ų122.183%0.82577%0.766SS**PPolyproline II helixtrans-65.4123-178.525.7-31.6000110.1
160R66.6Low60.2Low223 Ų223120.6 Ų120.684%0.84276%0.756SS**PPolyproline II helixtrans-65.8132.4175.7-176.4179.7176.3-145.60.3109.4P158P158-R160 PolarHBondContact O-N 2.95Å
161P71.1Confident60Low104 Ų104123 Ų12368%0.67576%0.759SS**PPolyproline II helixtrans-66.7144.1174.326.7-31.4000110.3
162P70.9Confident59.6Low112 Ų112120.9 Ų120.973%0.72777%0.766SS**PPolyproline II helixtrans-64.3148.3-178.626.6-33.5000111V164P162-V164 PolarHBondContact O-N 3.35Å
163P63.7Low59.4Low114 Ų114117.2 Ų117.274%0.7476%0.763SS**PPolyproline II helixtrans-64.6124.7178.726.6-31.2000109.4A165P163-A165 PolarHBondContact O-N 2.88Å; P163-A165 VanDerWaalsContact O-N 3.16Å
164V58.5Low59Low139 Ų139121.9 Ų121.984%0.84278%0.78SS**PPolyproline II helixtrans-58.2118.9168.1172.60000107.5P162 M166P162-V164 PolarHBondContact O-N 3.35Å; V164-M166 PolarHBondContact O-N 3.21Å; V164-M166 VanDerWaalsContact O-N 3.1Å
165A55.7Low58.9Low90 Ų90123.1 Ų123.174%0.74478%0.777SS**  trans-59.4112.6173.700000109.1P163 A167P163-A165 PolarHBondContact O-N 2.88Å; P163-A165 VanDerWaalsContact O-N 3.16Å; A165-A167 VanDerWaalsContact C-N 3.32Å; A165-A167 PolarHBondContact O-N 3.13Å
166M52.5Low58.2Low172 Ų172124.6 Ų124.685%0.84777%0.773SS**  trans-65.691170.3-170.882.9171.400108.1V164V164-M166 PolarHBondContact O-N 3.21Å; V164-M166 VanDerWaalsContact O-N 3.1Å
167A50.8Low58Low98 Ų98123.6 Ų123.681%0.8178%0.776SS**  trans-78.4120.1172.300000109.7A165A165-A167 VanDerWaalsContact C-N 3.32Å; A165-A167 PolarHBondContact O-N 3.13Å
168G47Very low57.4Low70 Ų70122.8 Ų122.872%0.72277%0.773SS**  trans9169.3149.400000116.7
169V61.8Low56.4Low120 Ų120120.8 Ų120.873%0.72777%0.774SS**  trans-101.2106.6149.7-169.80000107
170P62.1Low55.8Low108 Ų108123.9 Ų123.970%0.70178%0.779SS**PPolyproline II helixtrans-78.1150.1167.231.1-29.7000110.2
171P55.4Low55.2Low122 Ų122122.6 Ų122.679%0.79279%0.786SS**PPolyproline II helixtrans-78.8154.3-160.532.3-35.5000113.2G173P171-G173 PolarHBondContact O-N 2.95Å
172A46.8Very low54.3Low111 Ų111129.5 Ų129.592%0.91780%0.798SS**PPolyproline II helixtrans-52.5126.7164.500000110.9
173G53.1Low54Low62 Ų62127 Ų12764%0.63979%0.793SS**  trans-151.6136.8173.800000110.5P171P171-G173 PolarHBondContact O-N 2.95Å
174M51.1Low54.4Low178 Ų178127.5 Ų127.588%0.87780%0.796SS**  trans7877.5171.8-68.382.3175.800118.1
175I54.4Low55Low163 Ų163126.4 Ų126.484%0.83679%0.792SS**  33.5135.7105.3-44.8174.5000117.5
176P43.8Very low55.9Low103 Ų103128.2 Ų128.267%0.66980%0.796SS**  trans-104-177.3-16036.9-24.1000115.6
177T56.9Low56.9Low129 Ų129124.8 Ų124.879%0.79180%0.795SS**  trans91.3163.4163.170.30000117.5
178P47.1Very low58Low117 Ų117124.4 Ų124.476%0.7679%0.792SS**  cis-138.3160.8-46.233.2-17.1000113.3
179G45.8Very low59.2Low74 Ų74126.4 Ų126.476%0.76379%0.792SS**  trans76.496.7147.400000117.6
180M56.8Low59.7Low192 Ų192126.2 Ų126.295%0.94679%0.793SS**  trans-132.4114149.5-86.5179.6161.200109.5R182M180-R182 PolarHBondContact O-N 3.21Å
181M53.6Low60.1Low197 Ų197128.6 Ų128.697%0.9780%0.799SS**  trans-36.9123.7170.6-64.5164.9173.500112
182R53.5Low60.8Low249 Ų249128.9 Ų128.994%0.9480%0.798SS**  trans-12795.1156.4-160.7172.7-175.8174.61.4107.3M180M180-R182 PolarHBondContact O-N 3.21Å
183G63.4Low61.9Low60 Ų60134.5 Ų134.562%0.61980%0.795SS**PPolyproline II helixtrans-60162.5-178.300000113
184P71.9Confident62.9Low123 Ų123137.3 Ų137.380%0.79980%0.802SS**PPolyproline II helixtrans-67.1149.9-178.428.4-32.7000111.2
185P72.3Confident63.5Low116 Ų116133.6 Ų133.675%0.75379%0.792SS**PPolyproline II helixtrans-67147.2-179.729-33.5000111
186P74.3Confident63.8Low128 Ų128135.4 Ų135.483%0.83179%0.794SS**PPolyproline II helixtrans-65.2136.9-179.625.3-32.2000111.8
187A72.8Confident64.2Low100 Ų100143.4 Ų143.483%0.82682%0.822SS**PPolyproline II helixtrans-67.1133.4174.900000110.9
188A73.3Confident64.5Low91 Ų91144.2 Ų144.275%0.75282%0.824SS**PPolyproline II helixtrans-68.7143.6174.300000111
189P74Confident65.5Low111 Ų111145.6 Ų145.672%0.72183%0.827SS**PPolyproline II helixtrans-69.5150.5179.828.7-34.3000111.8I191P189-I191 PolarHBondContact O-N 3.2Å
190P72Confident66.5Low116 Ų116149.6 Ų149.675%0.75383%0.831SS**PPolyproline II helixtrans-66.3127.2178.826.8-32.5000110.7T192P190-T192 PolarHBondContact O-N 3.09Å; P190-T192 VanDerWaalsContact O-N 3.08Å
191I69Low67.1Low159 Ų159147.1 Ų147.182%0.81582%0.824SS**  trans-69.8103.9168.9-63173.9000107.4P189 R193P189-I191 PolarHBondContact O-N 3.2Å; I191-R193 PolarHBondContact O-N 3.06Å
192T70.9Confident68Low127 Ų127143.9 Ų143.978%0.77982%0.815SS**PPolyproline II helixtrans-64.5117166.140.30000108.9P190P190-T192 PolarHBondContact O-N 3.09Å; P190-T192 VanDerWaalsContact O-N 3.08Å
193R71Confident68.9Low229 Ų229136.9 Ų136.986%0.86481%0.807SS**PPolyproline II helixtrans-75.2132.4165.3-69.5179.1175.3-131.2-0108.1I191I191-R193 PolarHBondContact O-N 3.06Å
194P73.4Confident69.3Low121 Ų121142.4 Ų142.479%0.78682%0.82SS**PPolyproline II helixtrans-72.1141.9169.129.8-31.8000109.7
195P63.9Low69.1Low100 Ų100143.9 Ų143.965%0.64982%0.822SS**PPolyproline II helixtrans-97.3147.7171.940.6-33.6000110.9
196F60.6Low68.9Low202 Ų202146.3 Ų146.389%0.88683%0.827SS**  trans74.4107.6162.5-56.6-73.3000120.1
197Q51.3Low68.4Low271 Ų271147.9 Ų147.9100%1.26683%0.827SS**  -138.50113.4-140.7162.835.600109

Retrieved 197 of 197 residues in 245.1 ms (Link to these results)

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