G4VKW3_SCHMA Loading...

Sm protein B

AlphaFold DB , UniProt , Accession G4VKW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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
1M48.9Very low73.3Confident224 Ų224107.6 Ų107.6100%1.10358%0.577SS**  0120.10-57.8-57.4-148.400108.9V3M1-V3 PolarHBondContact O-N 3.23Å
2P54.9Low75Confident133 Ų133104 Ų10486%0.86455%0.554SS**  trans-69118.7175.427.3-31.2000110S4P2-S4 PolarHBondContact O-N 3.23Å
3V61.6Low76.4Confident83 Ų8399.1 Ų99.150%0.50353%0.53SS..  trans-70.5115.5176.3-178.90000108M1 A7 K8M1-V3 PolarHBondContact O-N 3.23Å; V3-A7 HydrophobicContact CG1-CB 3.58Å; V3-K8 HydrophobicContact CG1-CG 4.12Å
4S68Low77.7Confident72 Ų7295.4 Ų95.450%0.50351%0.51SS..  trans-57.8144.9174.670.30000109.2P2 N6 A7P2-S4 PolarHBondContact O-N 3.23Å; S4-N6 PolarHBondContact O-N 3.36Å; S4-A7 WeakPolarHBondContact O-CB 3.22Å; S4-A7 PolarHBondContact O-N 2.98Å; S4-A7 PolarHBondContact OG-N 2.93Å
5K67.4Low78.9Confident201 Ų20195 Ų9587%0.87450%0.5SS*.THydrogen-bonded Turntrans-52.8-30.7-176.9-64.7176.8-177.2177.20112.4
6N70.9Confident80Confident93 Ų9395.1 Ų95.150%0.49749%0.491SS..THydrogen-bonded Turntrans-77.7-27178.9-148.4-17.2000113.5S4 K8 I9 S10 F34S4-N6 PolarHBondContact O-N 3.36Å; N6-K8 PolarHBondContact O-N 3.26Å; N6-I9 VanDerWaalsContact O-CG2 3.27Å; N6-I9 WeakPolarHBondContact O-CG2 3.02Å; N6-I9 PolarHBondContact O-N 2.92Å; N6-I9 WeakPolarHBondContact OD1-CG2 3.47Å; N6-S10 PolarHBondContact O-N 3.42Å; N6-F34 WeakPolarHBondContact OD1-CE2 3.32Å
7A77.7Confident80.9Confident32 Ų3289.7 Ų89.726%0.26446%0.463SS..Hα-helixtrans-64.7-27.2176.300000112.4V3 S4 S10 Q11V3-A7 HydrophobicContact CG1-CB 3.58Å; S4-A7 WeakPolarHBondContact O-CB 3.22Å; S4-A7 PolarHBondContact O-N 2.98Å; S4-A7 PolarHBondContact OG-N 2.93Å; A7-S10 PolarHBondContact O-N 3.07Å; A7-Q11 WeakPolarHBondContact O-CG 2.95Å; A7-Q11 PolarHBondContact O-N 3.34Å
8K85.8Confident81.8Confident134 Ų13488.3 Ų88.358%0.58345%0.451SS*.Hα-helixtrans-63.6-40.8176.9-66.5-172.1179.3-174.10112.7V3 N6 H12V3-K8 HydrophobicContact CG1-CG 4.12Å; N6-K8 PolarHBondContact O-N 3.26Å; K8-H12 PolarHBondContact O-CE1 3.4Å; K8-H12 PolarHBondContact O-ND1 2.95Å
9I89.5Confident82.5Confident23 Ų2383.7 Ų83.712%0.11843%0.428CS..Hα-helixtrans-76.2-35.2-179.8-172.355.9000111.5N6 Q11 H12 F31 F34 M81N6-I9 VanDerWaalsContact O-CG2 3.27Å; N6-I9 WeakPolarHBondContact O-CG2 3.02Å; N6-I9 PolarHBondContact O-N 2.92Å; N6-I9 WeakPolarHBondContact OD1-CG2 3.47Å; I9-Q11 PolarHBondContact O-N 3.47Å; I9-H12 PolarHBondContact O-N 3.38Å; I9-F31 HydrophobicContact CD1-CE1 3.76Å; I9-F31 HydrophobicContact CD1-CZ 3.82Å; I9-F31 HydrophobicContact CG1-CE1 3.97Å; I9-F31 HydrophobicContact CG1-CZ 3.8Å; I9-F34 HydrophobicContact CG1-CD1 4.45Å; I9-F34 HydrophobicContact CG1-CG 4.39Å; I9-F34 HydrophobicContact CG2-CD1 4.48Å; I9-F34 HydrophobicContact CG2-CD2 4.01Å; I9-F34 HydrophobicContact CG2-CE1 4.2Å; I9-F34 HydrophobicContact CG2-CE2 3.7Å; I9-F34 HydrophobicContact CG2-CG 4.4Å; I9-F34 HydrophobicContact CG2-CZ 3.8Å; I9-M81 HydrophobicContact CD1-CE 3.31Å; I9-M81 HydrophobicContact CD1-SD 4.43Å; I9-M81 HydrophobicContact CG1-CE 4.24Å
10S90.4Very high83.2Confident68 Ų6881.3 Ų81.348%0.47642%0.417SS..Hα-helixtrans-58.2-33.9177-1670000113N6 A7 H12 V13N6-S10 PolarHBondContact O-N 3.42Å; A7-S10 PolarHBondContact O-N 3.07Å; S10-H12 PolarHBondContact O-N 3.36Å; S10-V13 WeakPolarHBondContact O-CB 3.09Å; S10-V13 WeakPolarHBondContact O-CG2 3.37Å; S10-V13 PolarHBondContact O-N 3.09Å
11Q91.7Very high83.7Confident121 Ų12178.8 Ų78.857%0.56540%0.404SS*.THydrogen-bonded Turntrans-62.9-21.7176.8-73169.3-3.800114.2A7 I9A7-Q11 WeakPolarHBondContact O-CG 2.95Å; A7-Q11 PolarHBondContact O-N 3.34Å; I9-Q11 PolarHBondContact O-N 3.47Å
12H92.8Very high85.9Confident64 Ų6474 Ų7430%0.29638%0.379SS..THydrogen-bonded Turntrans-93.7-3.6-178.3-58.7101.9000112.6K8 I9 S10 N14 Y15 I17 F31 V83K8-H12 PolarHBondContact O-CE1 3.4Å; K8-H12 PolarHBondContact O-ND1 2.95Å; I9-H12 PolarHBondContact O-N 3.38Å; S10-H12 PolarHBondContact O-N 3.36Å; H12-N14 PolarHBondContact O-N 3.18Å; H12-Y15 VanDerWaalsContact O-CB 3.29Å; H12-Y15 WeakPolarHBondContact O-CB 3.37Å; H12-Y15 PolarHBondContact O-N 3.01Å; H12-I17 HydrophobicContact CB-CD1 3.81Å; H12-F31 HydrophobicContact CB-CD1 4.32Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.45Å; H12-V83 WeakPolarHBondContact CD2-CG2 3.33Å
13V93.7Very high87.7Confident40 Ų4072 Ų7224%0.24236%0.361CS..THydrogen-bonded Turntrans-59138.7177.1177.90000109.8S10 Y15 F31 F34S10-V13 WeakPolarHBondContact O-CB 3.09Å; S10-V13 WeakPolarHBondContact O-CG2 3.37Å; S10-V13 PolarHBondContact O-N 3.09Å; V13-Y15 PolarHBondContact O-N 3.2Å; V13-F31 HydrophobicContact CG2-CD1 4.17Å; V13-F31 HydrophobicContact CG2-CE1 3.78Å; V13-F34 HydrophobicContact CG2-CD1 4.29Å; V13-F34 HydrophobicContact CG2-CE1 4.22Å
14N94.5Very high89Confident48 Ų4870.2 Ų70.226%0.25736%0.36SS..THydrogen-bonded Turntrans70.8-8.6-169.8-59.8-51000116.5H12 T30 F31 K32 P87H12-N14 PolarHBondContact O-N 3.18Å; N14-T30 WeakPolarHBondContact O-CG2 3.4Å; N14-F31 VanDerWaalsContact CA-O 3.29Å; N14-F31 WeakPolarHBondContact CA-O 3.39Å; N14-F31 PolarHBondContact N-O 3Å; N14-K32 WeakPolarHBondContact OD1-CD 3.33Å; N14-K32 PolarHBondContact OD1-NZ 2.83Å; N14-P87 HydrophobicContact CB-CB 4.13Å; N14-P87 HydrophobicContact CB-CG 4.41Å; N14-P87 WeakPolarHBondContact O-CA 3.2Å; N14-P87 VanDerWaalsContact O-CB 3.26Å; N14-P87 WeakPolarHBondContact O-CB 3.37Å
15Y95.9Very high90.2Very high89 Ų8970.2 Ų70.235%0.34935%0.349SS..SBendtrans-72.5157175-75.1-110.1000111.3H12 V13 I17 F31 V83 P87H12-Y15 VanDerWaalsContact O-CB 3.29Å; H12-Y15 WeakPolarHBondContact O-CB 3.37Å; H12-Y15 PolarHBondContact O-N 3.01Å; V13-Y15 PolarHBondContact O-N 3.2Å; Y15-I17 PolarHBondContact O-N 3.12Å; Y15-F31 PolarHBondContact O-N 2.75Å; Y15-V83 HydrophobicContact CD1-CG1 3.7Å; Y15-V83 HydrophobicContact CG-CG1 4.38Å; Y15-P87 HydrophobicContact CD1-CG 4.27Å; Y15-P87 HydrophobicContact CD2-CG 3.74Å; Y15-P87 HydrophobicContact CE1-CG 4.31Å; Y15-P87 HydrophobicContact CE2-CG 3.78Å; Y15-P87 HydrophobicContact CG-CG 3.99Å
16R95.9Very high91.6Very high97 Ų9762.6 Ų62.637%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-78119.1166.8-160.8175.3-169170.91.8108.3V28 G29 D84 G85R16-V28 HydrophobicContact CG-CG1 4.05Å; R16-G29 WeakPolarHBondContact CA-O 3.48Å; R16-D84 PolarHBondContact O-N 3.11Å; R16-G85 PolarHBondContact N-O 3.22Å; R16-G85 VanDerWaalsContact N-O 3.09Å; R16-G85 PolarHBondContact O-N 2.88Å; R16-G85 VanDerWaalsContact O-N 3.14Å
17I96.3Very high92.8Very high3 Ų358.4 Ų58.42%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-117.1140.6-175.7-60.6-171.1000109.4H12 Y15 V28 G29 F31 M81 N82H12-I17 HydrophobicContact CB-CD1 3.81Å; Y15-I17 PolarHBondContact O-N 3.12Å; I17-V28 WeakPolarHBondContact O-CA 3.26Å; I17-G29 PolarHBondContact N-O 3Å; I17-G29 PolarHBondContact O-N 2.97Å; I17-F31 HydrophobicContact CB-CB 4.29Å; I17-F31 HydrophobicContact CD1-CB 3.37Å; I17-F31 HydrophobicContact CD1-CD1 3.44Å; I17-F31 VanDerWaalsContact CD1-CD1 3.44Å; I17-F31 HydrophobicContact CD1-CD2 4.41Å; I17-F31 HydrophobicContact CD1-CE1 4.26Å; I17-F31 HydrophobicContact CD1-CG 3.51Å; I17-F31 HydrophobicContact CG1-CB 3.74Å; I17-F31 HydrophobicContact CG1-CG 4.42Å; I17-M81 HydrophobicContact CG2-CB 3.85Å; I17-M81 HydrophobicContact CG2-CG 4.45Å; I17-N82 CarbonylContact C-O 3.58Å; I17-N82 WeakPolarHBondContact CA-O 3.39Å; I17-N82 WeakPolarHBondContact CG2-O 3.16Å
18R96.1Very high93.7Very high64 Ų6457 Ų5724%0.24228%0.282CS..EExtended strand (participates in β ladder)trans-97.1112.6165.9-177.9-178.4-58.3-103.7-3.1109.2L27 V28 M81 N82 D84R18-L27 CarbonylContact C-O 3.56Å; R18-L27 WeakPolarHBondContact CA-O 3.49Å; R18-V28 HydrophobicContact CB-CG2 4.11Å; R18-V28 HydrophobicContact CG-CG2 3.97Å; R18-M81 WeakPolarHBondContact O-CA 2.95Å; R18-N82 PolarHBondContact N-O 3.23Å; R18-N82 PolarHBondContact O-N 2.92Å; R18-D84 HydrophobicContact CB-CB 4.2Å; R18-D84 IonicContact CZ-OD1 3.36Å; R18-D84 IonicContact NE-OD1 3.09Å; R18-D84 PolarHBondContact NE-OD1 3.47Å; R18-D84 VanDerWaalsContact NE-OD1 3.09Å; R18-D84 IonicContact NH2-OD1 2.74Å; R18-D84 PolarHBondContact NH2-OD1 3.19Å; R18-D84 IonicContact NH2-OD2 3.94Å
19C95.7Very high94.2Very high1 Ų150.6 Ų50.61%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-99.2128.4175.9-62.40000109.9Q26 L27 L42 T80C19-Q26 CarbonylContact O-C 3.49Å; C19-Q26 WeakPolarHBondContact O-CA 3.31Å; C19-L27 HydrophobicContact CB-CB 4.4Å; C19-L27 PolarHBondContact N-O 2.95Å; C19-L27 PolarHBondContact O-N 2.83Å; C19-L42 HydrophobicContact CB-CD1 4.49Å; C19-T80 WeakPolarHBondContact CA-O 3.41Å
20T95.8Very high94.5Very high35 Ų3550 Ų5022%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-97.2125.2171.9-51.70000109.3V79 T80T20-V79 PolarHBondContact O-N 3.02Å; T20-T80 WeakPolarHBondContact CB-OG1 3.24Å; T20-T80 PolarHBondContact N-O 3.34Å; T20-T80 PolarHBondContact O-N 3.34Å; T20-T80 PolarHBondContact OG1-OG1 2.79Å
21M94.8Very high94.8Very high30 Ų3046.8 Ų46.815%0.14823%0.229CC..EExtended strand (participates in β ladder)trans-88160.3178.2-64.2-17064.400112.1D23 G24 R25 L27 L73 H77M21-D23 VanDerWaalsContact CB-OD1 3.29Å; M21-D23 WeakPolarHBondContact CB-OD1 3.1Å; M21-D23 PolarHBondContact O-N 2.76Å; M21-G24 PolarHBondContact O-N 2.81Å; M21-R25 HydrophobicContact CB-CB 4.3Å; M21-R25 HydrophobicContact CG-CB 4.49Å; M21-R25 PolarHBondContact N-O 2.8Å; M21-R25 HydrophobicContact SD-CB 4.32Å; M21-L27 HydrophobicContact CG-CD1 4.24Å; M21-L27 HydrophobicContact CG-CG 4.3Å; M21-L27 HydrophobicContact SD-CD1 3.63Å; M21-L27 HydrophobicContact SD-CD2 4.43Å; M21-L27 HydrophobicContact SD-CG 3.92Å; M21-L73 HydrophobicContact CE-CD1 3.71Å; M21-L73 HydrophobicContact SD-CD1 3.91Å; M21-H77 CarbonylContact C-O 3.52Å; M21-H77 VanDerWaalsContact CA-O 3.27Å; M21-H77 WeakPolarHBondContact CA-O 3.04Å; M21-H77 HydrophobicContact CE-CB 3.99Å
22Q95Very high95Very high124 Ų12444.6 Ų44.658%0.57922%0.217SC*.THydrogen-bonded Turntrans-58.4-30.1177.1-77.3179-25.900114G24 E76 H77 V79Q22-G24 VanDerWaalsContact C-N 3.25Å; Q22-G24 PolarHBondContact O-N 3.06Å; Q22-E76 PolarHBondContact NE2-O 2.91Å; Q22-E76 PolarHBondContact OE1-O 2.89Å; Q22-H77 PolarHBondContact N-O 3.42Å; Q22-H77 PolarHBondContact OE1-ND1 3.13Å; Q22-V79 HydrophobicContact CB-CG2 4.23Å; Q22-V79 HydrophobicContact CG-CG2 3.65Å
23D91.6Very high95Very high90 Ų9043.4 Ų43.448%0.48122%0.218SC..THydrogen-bonded Turntrans-85.55.4178.770.7-14000113.5M21 R25M21-D23 VanDerWaalsContact CB-OD1 3.29Å; M21-D23 WeakPolarHBondContact CB-OD1 3.1Å; M21-D23 PolarHBondContact O-N 2.76Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 WeakPolarHBondContact OD1-CD 3.35Å; D23-R25 WeakPolarHBondContact OD1-CG 3.14Å; D23-R25 PolarHBondContact OD1-N 3.36Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 WeakPolarHBondContact OD2-CD 3.48Å; D23-R25 IonicContact OD2-CZ 3.88Å; D23-R25 IonicContact OD2-NE 2.83Å; D23-R25 PolarHBondContact OD2-NE 2.88Å; D23-R25 IonicContact OD2-NH2 3.46Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å
24G90.5Very high95.1Very high46 Ų4644.6 Ų44.647%0.47422%0.221SC..SBendtrans86.43.417700000114.9M21 Q22M21-G24 PolarHBondContact O-N 2.81Å; Q22-G24 VanDerWaalsContact C-N 3.25Å; Q22-G24 PolarHBondContact O-N 3.06Å
25R93Very high95Very high72 Ų7245.6 Ų45.627%0.27223%0.226SC..  trans-71.4151171.3-64.4169.6-167.3-156.628110.9M21 D23 E47M21-R25 HydrophobicContact CB-CB 4.3Å; M21-R25 HydrophobicContact CG-CB 4.49Å; M21-R25 PolarHBondContact N-O 2.8Å; M21-R25 HydrophobicContact SD-CB 4.32Å; D23-R25 WeakPolarHBondContact OD1-CB 3.46Å; D23-R25 WeakPolarHBondContact OD1-CD 3.35Å; D23-R25 WeakPolarHBondContact OD1-CG 3.14Å; D23-R25 PolarHBondContact OD1-N 3.36Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 WeakPolarHBondContact OD2-CD 3.48Å; D23-R25 IonicContact OD2-CZ 3.88Å; D23-R25 IonicContact OD2-NE 2.83Å; D23-R25 PolarHBondContact OD2-NE 2.88Å; D23-R25 IonicContact OD2-NH2 3.46Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å; R25-E47 HydrophobicContact CB-CG 4.48Å; R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.33Å; R25-E47 IonicContact NE-OE1 2.66Å; R25-E47 PolarHBondContact NE-OE1 2.91Å; R25-E47 IonicContact NH1-OE1 3.36Å; R25-E47 PolarHBondContact NH1-OE1 3.05Å; R25-E47 IonicContact NH1-OE2 3.41Å; R25-E47 PolarHBondContact NH1-OE2 2.83Å
26Q95.1Very high94.8Very high41 Ų4152.2 Ų52.219%0.19225%0.25CC..EExtended strand (participates in β ladder)trans-114.1123.8171-63.7-175.1-0.700109.2C19 E47 F48C19-Q26 CarbonylContact O-C 3.49Å; C19-Q26 WeakPolarHBondContact O-CA 3.31Å; Q26-E47 CarbonylContact O-C 3.52Å; Q26-E47 WeakPolarHBondContact O-CA 3.44Å; Q26-F48 HydrophobicContact CB-CB 4.21Å; Q26-F48 PolarHBondContact N-O 2.97Å; Q26-F48 PolarHBondContact O-N 3.41Å
27L96.7Very high94.7Very high4 Ų453.9 Ų53.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-104129.6172.8-58.5-177.8000108.6R18 C19 M21 L42 D46 E47 L68 L73R18-L27 CarbonylContact C-O 3.56Å; R18-L27 WeakPolarHBondContact CA-O 3.49Å; C19-L27 HydrophobicContact CB-CB 4.4Å; C19-L27 PolarHBondContact N-O 2.95Å; C19-L27 PolarHBondContact O-N 2.83Å; M21-L27 HydrophobicContact CG-CD1 4.24Å; M21-L27 HydrophobicContact CG-CG 4.3Å; M21-L27 HydrophobicContact SD-CD1 3.63Å; M21-L27 HydrophobicContact SD-CD2 4.43Å; M21-L27 HydrophobicContact SD-CG 3.92Å; L27-L42 HydrophobicContact CB-CD1 4.1Å; L27-D46 CarbonylContact C-O 3.57Å; L27-D46 WeakPolarHBondContact CA-O 3.34Å; L27-E47 HydrophobicContact CD2-CB 3.62Å; L27-E47 HydrophobicContact CD2-CG 3.85Å; L27-L68 HydrophobicContact CD2-CD1 3.82Å; L27-L73 HydrophobicContact CD1-CD1 3.73Å
28V96.5Very high94.5Very high3 Ų357 Ų572%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-119.2121.3175.1-177.10000108.6R16 I17 R18 C45 D46 F48 D84R16-V28 HydrophobicContact CG-CG1 4.05Å; I17-V28 WeakPolarHBondContact O-CA 3.26Å; R18-V28 HydrophobicContact CB-CG2 4.11Å; R18-V28 HydrophobicContact CG-CG2 3.97Å; V28-C45 CarbonylContact O-C 3.55Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; V28-D46 PolarHBondContact N-O 3.13Å; V28-D46 PolarHBondContact O-N 3.18Å; V28-F48 HydrophobicContact CB-CD2 4.42Å; V28-F48 HydrophobicContact CB-CE2 3.94Å; V28-F48 HydrophobicContact CG2-CD2 3.85Å; V28-F48 HydrophobicContact CG2-CE2 3.7Å; V28-D84 HydrophobicContact CG1-CB 4.38Å
29G96.6Very high94.5Very high0 Ų055.8 Ų55.80%028%0.276CS..EExtended strand (participates in β ladder)trans-163.9173.9-179.400000112.3R16 I17 F31 C43R16-G29 WeakPolarHBondContact CA-O 3.48Å; I17-G29 PolarHBondContact N-O 3Å; I17-G29 PolarHBondContact O-N 2.97Å; G29-F31 PolarHBondContact O-N 3.16Å; G29-C43 CarbonylContact C-O 3.55Å; G29-C43 WeakPolarHBondContact CA-O 3.47Å
30T96.5Very high94.5Very high10 Ų1055.8 Ų55.86%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-80.6117.3178-54.60000109.7N14 K32 L42 C43 P88N14-T30 WeakPolarHBondContact O-CG2 3.4Å; T30-K32 HydrophobicContact CG2-CD 4.42Å; T30-K32 PolarHBondContact O-N 3.29Å; T30-L42 CarbonylContact O-C 3.59Å; T30-L42 WeakPolarHBondContact O-CA 3.17Å; T30-C43 PolarHBondContact N-O 2.85Å; T30-C43 PolarHBondContact O-N 3.49Å; T30-P88 HydrophobicContact CG2-CG 4.41Å
31F96.1Very high94.5Very high1 Ų156.9 Ų56.90%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-76.1113.8-177.8176.2-128.1000111.4I9 H12 V13 N14 Y15 I17 G29 A33 F34 I40 L42I9-F31 HydrophobicContact CD1-CE1 3.76Å; I9-F31 HydrophobicContact CD1-CZ 3.82Å; I9-F31 HydrophobicContact CG1-CE1 3.97Å; I9-F31 HydrophobicContact CG1-CZ 3.8Å; H12-F31 HydrophobicContact CB-CD1 4.32Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.45Å; V13-F31 HydrophobicContact CG2-CD1 4.17Å; V13-F31 HydrophobicContact CG2-CE1 3.78Å; N14-F31 VanDerWaalsContact CA-O 3.29Å; N14-F31 WeakPolarHBondContact CA-O 3.39Å; N14-F31 PolarHBondContact N-O 3Å; Y15-F31 PolarHBondContact O-N 2.75Å; I17-F31 HydrophobicContact CB-CB 4.29Å; I17-F31 HydrophobicContact CD1-CB 3.37Å; I17-F31 HydrophobicContact CD1-CD1 3.44Å; I17-F31 VanDerWaalsContact CD1-CD1 3.44Å; I17-F31 HydrophobicContact CD1-CD2 4.41Å; I17-F31 HydrophobicContact CD1-CE1 4.26Å; I17-F31 HydrophobicContact CD1-CG 3.51Å; I17-F31 HydrophobicContact CG1-CB 3.74Å; I17-F31 HydrophobicContact CG1-CG 4.42Å; G29-F31 PolarHBondContact O-N 3.16Å; F31-A33 VanDerWaalsContact CE2-O 3.23Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; F31-F34 HydrophobicContact CE1-CD1 4.34Å; F31-F34 HydrophobicContact CE2-CB 3.92Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.06Å; F31-I40 HydrophobicContact CD2-CG2 3.42Å; F31-I40 VanDerWaalsContact CD2-CG2 3.42Å; F31-I40 HydrophobicContact CE2-CB 4.27Å; F31-I40 HydrophobicContact CE2-CG1 4Å; F31-I40 HydrophobicContact CE2-CG2 3.5Å; F31-I40 VanDerWaalsContact CE2-CG2 3.5Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.32Å
32K95Very high94.6Very high75 Ų7555.4 Ų55.433%0.32627%0.272SS..EExtended strand (participates in β ladder)trans-105.9-37.6-174.4-74.4-61.6-172.7178.80114.3N14 T30 I41 C43N14-K32 WeakPolarHBondContact OD1-CD 3.33Å; N14-K32 PolarHBondContact OD1-NZ 2.83Å; T30-K32 HydrophobicContact CG2-CD 4.42Å; T30-K32 PolarHBondContact O-N 3.29Å; K32-I41 HydrophobicContact CB-CB 4.49Å; K32-I41 HydrophobicContact CB-CG2 4.23Å; K32-I41 PolarHBondContact N-O 3.29Å; K32-C43 HydrophobicContact CG-CB 4.31Å; K32-C43 VanDerWaalsContact CG-SG 3.56Å
33A94.7Very high94.6Very high38 Ų3851 Ų5131%0.31425%0.254SS..EExtended strand (participates in β ladder)trans-150.7156.4-177.500000111.6F31 I40 I41F31-A33 VanDerWaalsContact CE2-O 3.23Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; A33-I40 WeakPolarHBondContact O-CA 3.42Å; A33-I41 HydrophobicContact CB-CB 4.13Å; A33-I41 HydrophobicContact CB-CD1 3.9Å; A33-I41 HydrophobicContact CB-CG1 4.1Å; A33-I41 PolarHBondContact O-N 3.45Å
34F94.2Very high94.8Very high66 Ų6652.4 Ų52.429%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-138.8159.3171.667.3-80.4000111.9N6 I9 V13 F31 N39N6-F34 WeakPolarHBondContact OD1-CE2 3.32Å; I9-F34 HydrophobicContact CG1-CD1 4.45Å; I9-F34 HydrophobicContact CG1-CG 4.39Å; I9-F34 HydrophobicContact CG2-CD1 4.48Å; I9-F34 HydrophobicContact CG2-CD2 4.01Å; I9-F34 HydrophobicContact CG2-CE1 4.2Å; I9-F34 HydrophobicContact CG2-CE2 3.7Å; I9-F34 HydrophobicContact CG2-CG 4.4Å; I9-F34 HydrophobicContact CG2-CZ 3.8Å; V13-F34 HydrophobicContact CG2-CD1 4.29Å; V13-F34 HydrophobicContact CG2-CE1 4.22Å; F31-F34 HydrophobicContact CE1-CD1 4.34Å; F31-F34 HydrophobicContact CE2-CB 3.92Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.06Å; F34-N39 CarbonylContact C-O 3.56Å; F34-N39 VanDerWaalsContact CA-O 3.23Å; F34-N39 WeakPolarHBondContact CA-O 3.38Å
35D93.2Very high95.1Very high68 Ų6850.2 Ų50.236%0.36424%0.24SC..  trans-115.9167.3176.5-174.514.9000111H37 M38 N39D35-H37 PolarHBondContact O-N 3.04Å; D35-H37 IonicContact OD2-CD2 3.62Å; D35-M38 PolarHBondContact O-N 3.28Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 2.75Å; D35-N39 PolarHBondContact OD2-ND2 3.08Å
36R91.8Very high95.2Very high228 Ų22847.7 Ų47.786%0.8623%0.231SC*.THydrogen-bonded Turntrans-53.7-31.9170.1-177.1-179.8-179.6-175.70.2112.5M38R36-M38 VanDerWaalsContact C-N 3.28Å
37H92.9Very high95.2Very high133 Ų13346.5 Ų46.562%0.61623%0.226SC*.THydrogen-bonded Turntrans-85.76177.6-65-66.8000114D35 N39 G75D35-H37 PolarHBondContact O-N 3.04Å; D35-H37 IonicContact OD2-CD2 3.62Å; H37-N39 PolarHBondContact O-N 3.19Å; H37-G75 WeakPolarHBondContact O-CA 3.34Å
38M92.7Very high95.1Very high67 Ų6748 Ų4833%0.3323%0.232SC..  trans6225.3-170.3-59.8-65.4-63.400113.4D35 R36 I40 G75 M81D35-M38 PolarHBondContact O-N 3.28Å; R36-M38 VanDerWaalsContact C-N 3.28Å; M38-I40 WeakPolarHBondContact O-CD1 3.27Å; M38-I40 WeakPolarHBondContact O-CG1 3.29Å; M38-I40 PolarHBondContact O-N 2.81Å; M38-G75 WeakPolarHBondContact O-CA 3.36Å; M38-G75 PolarHBondContact O-N 3.29Å; M38-M81 HydrophobicContact CE-CE 3.29Å; M38-M81 HydrophobicContact CE-SD 4.25Å
39N95.4Very high94.8Very high40 Ų4053 Ų5321%0.21425%0.251CS..  trans-65.8128.6164-57.7-38.9000107.7F34 D35 H37 L73 R74 G75F34-N39 CarbonylContact C-O 3.56Å; F34-N39 VanDerWaalsContact CA-O 3.23Å; F34-N39 WeakPolarHBondContact CA-O 3.38Å; D35-N39 HydrophobicContact CB-CB 3.81Å; D35-N39 PolarHBondContact N-O 2.75Å; D35-N39 PolarHBondContact OD2-ND2 3.08Å; H37-N39 PolarHBondContact O-N 3.19Å; N39-L73 CarbonylContact C-O 3.55Å; N39-L73 VanDerWaalsContact CA-O 3.24Å; N39-L73 WeakPolarHBondContact CA-O 3.5Å; N39-R74 WeakPolarHBondContact OD1-CA 3.4Å; N39-G75 PolarHBondContact OD1-N 3.36Å
40I95.6Very high94Very high0 Ų056.3 Ų56.30%027%0.266CS..EExtended strand (participates in β ladder)trans-123.8138.6-169.7-67.6152.4000109.6F31 A33 M38 L42 L73 V78 M81F31-I40 HydrophobicContact CD2-CG2 3.42Å; F31-I40 VanDerWaalsContact CD2-CG2 3.42Å; F31-I40 HydrophobicContact CE2-CB 4.27Å; F31-I40 HydrophobicContact CE2-CG1 4Å; F31-I40 HydrophobicContact CE2-CG2 3.5Å; F31-I40 VanDerWaalsContact CE2-CG2 3.5Å; A33-I40 WeakPolarHBondContact O-CA 3.42Å; M38-I40 WeakPolarHBondContact O-CD1 3.27Å; M38-I40 WeakPolarHBondContact O-CG1 3.29Å; M38-I40 PolarHBondContact O-N 2.81Å; I40-L42 HydrophobicContact CG2-CD2 3.77Å; I40-L42 HydrophobicContact CG2-CG 3.92Å; I40-L73 PolarHBondContact N-O 3.18Å; I40-L73 PolarHBondContact O-N 2.99Å; I40-V78 HydrophobicContact CD1-CG1 4.21Å; I40-V78 HydrophobicContact CD1-CG2 3.68Å; I40-M81 HydrophobicContact CD1-CE 4.43Å; I40-M81 HydrophobicContact CD1-CG 4.41Å; I40-M81 HydrophobicContact CD1-SD 3.26Å; I40-M81 WeakPolarHBondContact CD1-SD 3.41Å; I40-M81 HydrophobicContact CG1-SD 4.23Å
41I97Very high93.2Very high58 Ų5858.9 Ų58.930%0.29728%0.282SS..EExtended strand (participates in β ladder)trans-101122168-58.1-176.8000108.6K32 A33 L70 V71 L72K32-I41 HydrophobicContact CB-CB 4.49Å; K32-I41 HydrophobicContact CB-CG2 4.23Å; K32-I41 PolarHBondContact N-O 3.29Å; A33-I41 HydrophobicContact CB-CB 4.13Å; A33-I41 HydrophobicContact CB-CD1 3.9Å; A33-I41 HydrophobicContact CB-CG1 4.1Å; A33-I41 PolarHBondContact O-N 3.45Å; I41-L70 HydrophobicContact CG2-CD1 3.89Å; I41-V71 WeakPolarHBondContact CA-O 3.26Å; I41-L72 HydrophobicContact CD1-CD1 4.3Å; I41-L72 HydrophobicContact CG1-CD1 3.64Å
42L96.7Very high91.9Very high0 Ų067.6 Ų67.60%032%0.32CS..EExtended strand (participates in β ladder)trans-113.7131.5170.8-61.4-179.6000108.8C19 L27 T30 F31 I40 C45 V71C19-L42 HydrophobicContact CB-CD1 4.49Å; L27-L42 HydrophobicContact CB-CD1 4.1Å; T30-L42 CarbonylContact O-C 3.59Å; T30-L42 WeakPolarHBondContact O-CA 3.17Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.32Å; I40-L42 HydrophobicContact CG2-CD2 3.77Å; I40-L42 HydrophobicContact CG2-CG 3.92Å; L42-C45 WeakPolarHBondContact CB-SG 3.17Å; L42-C45 PolarHBondContact O-SG 2.74Å; L42-V71 PolarHBondContact N-O 2.87Å; L42-V71 PolarHBondContact O-N 2.79Å
43C95.5Very high90.6Very high30 Ų3069.8 Ų69.820%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-98.5152.5169.9-69.80000110.8G29 T30 K32 C45 L70G29-C43 CarbonylContact C-O 3.55Å; G29-C43 WeakPolarHBondContact CA-O 3.47Å; T30-C43 PolarHBondContact N-O 2.85Å; T30-C43 PolarHBondContact O-N 3.49Å; K32-C43 HydrophobicContact CG-CB 4.31Å; K32-C43 VanDerWaalsContact CG-SG 3.56Å; C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 2.97Å; C43-L70 VanDerWaalsContact SG-CD1 3.57Å
44D95.2Very high89.3Confident120 Ų12078.3 Ų78.364%0.64237%0.365SS*.EExtended strand (participates in β ladder)trans49.347.7178.8-53.6-44.4000113.1G69D44-G69 PolarHBondContact N-O 2.75Å
45C96.1Very high88Confident1 Ų179.6 Ų79.61%0.00739%0.388CS..EExtended strand (participates in β ladder)trans-78.3135-173.3-53.80000112.1V28 L42 C43 L68 G69 V71V28-C45 CarbonylContact O-C 3.55Å; V28-C45 WeakPolarHBondContact O-CA 3.29Å; L42-C45 WeakPolarHBondContact CB-SG 3.17Å; L42-C45 PolarHBondContact O-SG 2.74Å; C43-C45 VanDerWaalsContact C-N 3.26Å; C43-C45 PolarHBondContact O-N 2.97Å; C45-L68 HydrophobicContact CB-CB 4.13Å; C45-L68 PolarHBondContact O-N 2.85Å; C45-G69 VanDerWaalsContact CB-O 3.31Å; C45-G69 WeakPolarHBondContact CB-O 3.47Å; C45-G69 PolarHBondContact N-O 2.83Å; C45-G69 PolarHBondContact O-N 3.07Å; C45-G69 VanDerWaalsContact O-N 3.16Å; C45-G69 PolarHBondContact SG-O 3.4Å; C45-V71 HydrophobicContact CB-CB 4.38Å; C45-V71 HydrophobicContact CB-CG2 3.71Å
46D96.4Very high86.4Confident19 Ų1978.2 Ų78.210%0.10239%0.386CS..EExtended strand (participates in β ladder)trans-115.2130167-71.1-47.1000109.7L27 V28 F48 K65L27-D46 CarbonylContact C-O 3.57Å; L27-D46 WeakPolarHBondContact CA-O 3.34Å; V28-D46 PolarHBondContact N-O 3.13Å; V28-D46 PolarHBondContact O-N 3.18Å; D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 HydrophobicContact CB-CE2 3.71Å; D46-F48 HydrophobicContact CB-CZ 4.15Å; D46-K65 HydrophobicContact CB-CG 4.5Å; D46-K65 WeakPolarHBondContact OD1-CE 3.35Å; D46-K65 IonicContact OD1-NZ 3.51Å; D46-K65 WeakPolarHBondContact OD2-CE 3.29Å; D46-K65 IonicContact OD2-NZ 2.76Å; D46-K65 PolarHBondContact OD2-NZ 3.5Å
47E95.1Very high85.1Confident15 Ų1578 Ų787%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-88.3130.6168.9179.5-176162.100109.8R25 Q26 L27 R49 K65 R66 L68R25-E47 HydrophobicContact CB-CG 4.48Å; R25-E47 WeakPolarHBondContact CD-OE1 3.39Å; R25-E47 IonicContact CZ-OE1 3.33Å; R25-E47 IonicContact NE-OE1 2.66Å; R25-E47 PolarHBondContact NE-OE1 2.91Å; R25-E47 IonicContact NH1-OE1 3.36Å; R25-E47 PolarHBondContact NH1-OE1 3.05Å; R25-E47 IonicContact NH1-OE2 3.41Å; R25-E47 PolarHBondContact NH1-OE2 2.83Å; Q26-E47 CarbonylContact O-C 3.52Å; Q26-E47 WeakPolarHBondContact O-CA 3.44Å; L27-E47 HydrophobicContact CD2-CB 3.62Å; L27-E47 HydrophobicContact CD2-CG 3.85Å; E47-R49 IonicContact OE1-NH2 3.45Å; E47-K65 CarbonylContact O-C 3.52Å; E47-K65 WeakPolarHBondContact O-CA 3.23Å; E47-R66 HydrophobicContact CB-CB 4.31Å; E47-R66 PolarHBondContact N-O 2.81Å; E47-R66 PolarHBondContact O-N 3.33Å; E47-L68 HydrophobicContact CB-CD1 4Å; E47-L68 HydrophobicContact CB-CG 4.24Å
48F93.3Very high83.5Confident37 Ų3780.6 Ų80.616%0.16240%0.404CS..EExtended strand (participates in β ladder)trans-115.3123.2172.4-63.5-92.3000109.5Q26 V28 D46 Q63 E64 K65Q26-F48 HydrophobicContact CB-CB 4.21Å; Q26-F48 PolarHBondContact N-O 2.97Å; Q26-F48 PolarHBondContact O-N 3.41Å; V28-F48 HydrophobicContact CB-CD2 4.42Å; V28-F48 HydrophobicContact CB-CE2 3.94Å; V28-F48 HydrophobicContact CG2-CD2 3.85Å; V28-F48 HydrophobicContact CG2-CE2 3.7Å; D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 HydrophobicContact CB-CE2 3.71Å; D46-F48 HydrophobicContact CB-CZ 4.15Å; F48-Q63 HydrophobicContact CD1-CB 4.3Å; F48-E64 WeakPolarHBondContact CA-O 3.37Å; F48-K65 HydrophobicContact CD1-CB 4.41Å; F48-K65 HydrophobicContact CE1-CB 4.22Å; F48-K65 HydrophobicContact CE1-CD 4.23Å; F48-K65 HydrophobicContact CE1-CG 4.01Å; F48-K65 HydrophobicContact CZ-CD 4.31Å; F48-K65 HydrophobicContact CZ-CG 4.26Å
49R90.8Very high81.8Confident106 Ų10683.6 Ų83.640%0.442%0.421SS..EExtended strand (participates in β ladder)trans-111.6129173.5-178.8-180-68.8-144.8-1.7109.6E47 V51 Q63 E64E47-R49 IonicContact OE1-NH2 3.45Å; R49-V51 HydrophobicContact CG-CG2 4.42Å; R49-V51 PolarHBondContact O-N 3.07Å; R49-Q63 WeakPolarHBondContact O-CA 3.45Å; R49-E64 HydrophobicContact CB-CB 4.38Å; R49-E64 PolarHBondContact N-O 2.89Å; R49-E64 PolarHBondContact O-N 2.93Å
50Q80.7Confident79.9Confident71 Ų7191 Ų9133%0.33245%0.452SS..EExtended strand (participates in β ladder)trans-78.3106.3173.2-62-66.9-1.400109.3K52 Q63Q50-K52 PolarHBondContact O-N 3.36Å; Q50-Q63 VanDerWaalsContact OE1-CG 3.22Å
51V78.9Confident78.1Confident64 Ų6496.4 Ų96.439%0.38848%0.48SS..  trans-93.898.6174-176.30000108.3R49 N53 E64R49-V51 HydrophobicContact CG-CG2 4.42Å; R49-V51 PolarHBondContact O-N 3.07Å; V51-N53 PolarHBondContact O-N 2.66Å; V51-N53 VanDerWaalsContact O-N 3.13Å; V51-E64 HydrophobicContact CG2-CB 4.05Å
52K69.2Low76.6Confident183 Ų183103.5 Ų103.580%0.79650%0.503SS*.  trans-74.2101.1172.5-69.1-176.7179.8-179.90109.1Q50 K54Q50-K52 PolarHBondContact O-N 3.36Å; K52-K54 PolarHBondContact O-N 3.14Å
53N66.5Low75.6Confident121 Ų121107.4 Ų107.465%0.64752%0.522SS*.  trans-80.8110.7172.3-146.79.5000108.9V51 A55V51-N53 PolarHBondContact O-N 2.66Å; V51-N53 VanDerWaalsContact O-N 3.13Å; N53-A55 PolarHBondContact O-N 3.09Å
54K67.3Low75.2Confident217 Ų217111.4 Ų111.494%0.94354%0.537SS*.THydrogen-bonded Turntrans-64.5-12-174.9-74.4-176.5177.6179.60114.2K52K52-K54 PolarHBondContact O-N 3.14Å
55A66.9Low75Confident94 Ų94111.7 Ų111.778%0.77753%0.533SS*.THydrogen-bonded Turntrans-103-11-169.400000115.4N53N53-A55 PolarHBondContact O-N 3.09Å
56A60.3Low74.9Confident39 Ų39119.1 Ų119.132%0.32256%0.561SS.*  trans-116.7100.6-175.200000110.5Q58 D59A56-Q58 PolarHBondContact O-N 2.84Å; A56-D59 HydrophobicContact CB-CB 4.1Å
57K63.9Low74.9Confident224 Ų224121.9 Ų121.997%0.97459%0.586SS**SBendtrans-65.71175.5-130177.8-174.8-178.40113.5
58Q60.2Low74.9Confident186 Ų186124.3 Ų124.387%0.86960%0.599SS**SBendtrans-134.3-13.8-169-118.71779.600115.6A56 K60A56-Q58 PolarHBondContact O-N 2.84Å; Q58-K60 PolarHBondContact O-N 3.45Å
59D56.4Low75Confident130 Ų130123.9 Ų123.970%0.69561%0.605SS**  trans-88.193.3173.5-87.9-27.3000109.2A56 D61A56-D59 HydrophobicContact CB-CB 4.1Å; D59-D61 PolarHBondContact O-N 2.74Å; D59-D61 VanDerWaalsContact O-N 3.11Å
60K55.2Low75.3Confident197 Ų197125 Ų12586%0.85762%0.618SS**  trans-46.4116.1167.7-76.2179.5174.4-179.80109.4Q58 R62Q58-K60 PolarHBondContact O-N 3.45Å; K60-R62 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact O-N 3.12Å
61D57.6Low76Confident112 Ų112122.7 Ų122.760%0.59961%0.609SS**  trans30.270.9156.9-56.5-43.3000114.8D59 Q63D59-D61 PolarHBondContact O-N 2.74Å; D59-D61 VanDerWaalsContact O-N 3.11Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.09Å
62R65.4Low76.9Confident208 Ų208126 Ų12679%0.78562%0.624SS**  trans-66.295.4169.9-170.8173.8178.5171.6-0.6108.1K60 E64K60-R62 PolarHBondContact O-N 2.8Å; K60-R62 VanDerWaalsContact O-N 3.12Å; R62-E64 PolarHBondContact O-N 3.09Å
63Q76.8Confident78.1Confident82 Ų82117.9 Ų117.938%0.38359%0.589SS.*EExtended strand (participates in β ladder)trans-73.9119.3172.2-74.8174.426.300108.4F48 R49 Q50 D61F48-Q63 HydrophobicContact CD1-CB 4.3Å; R49-Q63 WeakPolarHBondContact O-CA 3.45Å; Q50-Q63 VanDerWaalsContact OE1-CG 3.22Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.09Å
64E86.6Confident79.5Confident114 Ų114119.4 Ų119.453%0.53359%0.585SS.*EExtended strand (participates in β ladder)trans-78.5119.8170-175.7179.4-17500108F48 R49 V51 R62F48-E64 WeakPolarHBondContact CA-O 3.37Å; R49-E64 HydrophobicContact CB-CB 4.38Å; R49-E64 PolarHBondContact N-O 2.89Å; R49-E64 PolarHBondContact O-N 2.93Å; V51-E64 HydrophobicContact CG2-CB 4.05Å; R62-E64 PolarHBondContact O-N 3.09Å
65K91.6Very high80.9Confident125 Ų125109.5 Ų109.554%0.54355%0.545SS..EExtended strand (participates in β ladder)trans-99.7128.8179.1-176-175.4-179.7-179.60110.1D46 E47 F48D46-K65 HydrophobicContact CB-CG 4.5Å; D46-K65 WeakPolarHBondContact OD1-CE 3.35Å; D46-K65 IonicContact OD1-NZ 3.51Å; D46-K65 WeakPolarHBondContact OD2-CE 3.29Å; D46-K65 IonicContact OD2-NZ 2.76Å; D46-K65 PolarHBondContact OD2-NZ 3.5Å; E47-K65 CarbonylContact O-C 3.52Å; E47-K65 WeakPolarHBondContact O-CA 3.23Å; F48-K65 HydrophobicContact CD1-CB 4.41Å; F48-K65 HydrophobicContact CE1-CB 4.22Å; F48-K65 HydrophobicContact CE1-CD 4.23Å; F48-K65 HydrophobicContact CE1-CG 4.01Å; F48-K65 HydrophobicContact CZ-CD 4.31Å; F48-K65 HydrophobicContact CZ-CG 4.26Å
66R94.7Very high82.3Confident158 Ų158109.4 Ų109.460%0.59653%0.529SS*.EExtended strand (participates in β ladder)trans-127.5120.7172.3178.7-179.7-178.5167.51110.2E47 L68E47-R66 HydrophobicContact CB-CB 4.31Å; E47-R66 PolarHBondContact N-O 2.81Å; E47-R66 PolarHBondContact O-N 3.33Å; R66-L68 HydrophobicContact CG-CD2 4.31Å
67A95.6Very high84Confident77 Ų77111 Ų11164%0.63653%0.529SS*.EExtended strand (participates in β ladder)trans-72.3131.9173.300000110.4
68L95.4Very high85.4Confident66 Ų66101.6 Ų101.635%0.34649%0.491SS..EExtended strand (participates in β ladder)trans-111.6-37.5176.5-60.4178.9000111.9L27 C45 E47 R66 V71L27-L68 HydrophobicContact CD2-CD1 3.82Å; C45-L68 HydrophobicContact CB-CB 4.13Å; C45-L68 PolarHBondContact O-N 2.85Å; E47-L68 HydrophobicContact CB-CD1 4Å; E47-L68 HydrophobicContact CB-CG 4.24Å; R66-L68 HydrophobicContact CG-CD2 4.31Å; L68-V71 HydrophobicContact CB-CG2 3.57Å; L68-V71 HydrophobicContact CD1-CG2 3.83Å; L68-V71 HydrophobicContact CG-CG2 4.37Å
69G95.5Very high87.1Confident27 Ų2796.9 Ų96.928%0.27847%0.474SS..EExtended strand (participates in β ladder)trans86.2-122.2-175.400000112.2D44 C45D44-G69 PolarHBondContact N-O 2.75Å; C45-G69 VanDerWaalsContact CB-O 3.31Å; C45-G69 WeakPolarHBondContact CB-O 3.47Å; C45-G69 PolarHBondContact N-O 2.83Å; C45-G69 PolarHBondContact O-N 3.07Å; C45-G69 VanDerWaalsContact O-N 3.16Å; C45-G69 PolarHBondContact SG-O 3.4Å
70L96.1Very high88.9Confident129 Ų12993.7 Ų93.768%0.67546%0.46SS*.EExtended strand (participates in β ladder)trans-82.9124.9177.3-17967.3000110.8I41 C43I41-L70 HydrophobicContact CG2-CD1 3.89Å; C43-L70 VanDerWaalsContact SG-CD1 3.57Å
71V96.6Very high90.7Very high24 Ų2486.5 Ų86.515%0.14543%0.43CS..EExtended strand (participates in β ladder)trans-129.5127.4-177.9-179.60000110.7I41 L42 C45 L68I41-V71 WeakPolarHBondContact CA-O 3.26Å; L42-V71 PolarHBondContact N-O 2.87Å; L42-V71 PolarHBondContact O-N 2.79Å; C45-V71 HydrophobicContact CB-CB 4.38Å; C45-V71 HydrophobicContact CB-CG2 3.71Å; L68-V71 HydrophobicContact CB-CG2 3.57Å; L68-V71 HydrophobicContact CD1-CG2 3.83Å; L68-V71 HydrophobicContact CG-CG2 4.37Å
72L96.3Very high92.5Very high133 Ų13385.9 Ų85.970%0.69643%0.427SS*.EExtended strand (participates in β ladder)trans-97.7112.8161.7179.274.9000108.2I41I41-L72 HydrophobicContact CD1-CD1 4.3Å; I41-L72 HydrophobicContact CG1-CD1 3.64Å
73L95.9Very high93.9Very high12 Ų1279.4 Ų79.46%0.06341%0.41CS..EExtended strand (participates in β ladder)trans-100.3132179.3-168.784.1000110M21 L27 N39 I40 V78M21-L73 HydrophobicContact CE-CD1 3.71Å; M21-L73 HydrophobicContact SD-CD1 3.91Å; L27-L73 HydrophobicContact CD1-CD1 3.73Å; N39-L73 CarbonylContact C-O 3.55Å; N39-L73 VanDerWaalsContact CA-O 3.24Å; N39-L73 WeakPolarHBondContact CA-O 3.5Å; I40-L73 PolarHBondContact N-O 3.18Å; I40-L73 PolarHBondContact O-N 2.99Å; L73-V78 HydrophobicContact CD2-CG2 3.28Å; L73-V78 HydrophobicContact CG-CG2 4.3Å
74R95.8Very high94.7Very high153 Ų15378.9 Ų78.958%0.57741%0.409SS*.  trans-74.2132.3172.5-163.7167.7178.6-163.911.9110.5N39 E76 H77N39-R74 WeakPolarHBondContact OD1-CA 3.4Å; R74-E76 HydrophobicContact CB-CG 4.38Å; R74-E76 WeakPolarHBondContact CD-OE1 3.23Å; R74-E76 HydrophobicContact CG-CG 3.94Å; R74-E76 IonicContact CZ-OE1 3.28Å; R74-E76 VanDerWaalsContact CZ-OE1 3.28Å; R74-E76 IonicContact CZ-OE2 3.5Å; R74-E76 IonicContact NE-OE1 3.35Å; R74-E76 PolarHBondContact NE-OE1 3.29Å; R74-E76 IonicContact NE-OE2 3.68Å; R74-E76 IonicContact NH1-OE1 2.75Å; R74-E76 PolarHBondContact NH1-OE1 3.24Å; R74-E76 IonicContact NH1-OE2 3.53Å; R74-E76 IonicContact NH2-OE2 3.99Å; R74-E76 PolarHBondContact O-N 2.94Å; R74-E76 VanDerWaalsContact O-N 3.17Å; R74-H77 PolarHBondContact O-N 3.04Å; R74-H77 VanDerWaalsContact O-N 3.12Å
75G95.4Very high95.1Very high10 Ų1074.2 Ų74.210%0.10339%0.392CS..G310 helixtrans-65.3-21.5-172.400000115.3H37 M38 N39 H77 V78H37-G75 WeakPolarHBondContact O-CA 3.34Å; M38-G75 WeakPolarHBondContact O-CA 3.36Å; M38-G75 PolarHBondContact O-N 3.29Å; N39-G75 PolarHBondContact OD1-N 3.36Å; G75-H77 PolarHBondContact O-N 3.45Å; G75-V78 PolarHBondContact O-N 2.83Å; G75-V78 VanDerWaalsContact O-N 3.15Å
76E96.1Very high95.2Very high91 Ų9173.1 Ų73.143%0.42540%0.398SS..G310 helixtrans-60.2-27174.573.5-170.4170.900112.9Q22 R74Q22-E76 PolarHBondContact NE2-O 2.91Å; Q22-E76 PolarHBondContact OE1-O 2.89Å; R74-E76 HydrophobicContact CB-CG 4.38Å; R74-E76 WeakPolarHBondContact CD-OE1 3.23Å; R74-E76 HydrophobicContact CG-CG 3.94Å; R74-E76 IonicContact CZ-OE1 3.28Å; R74-E76 VanDerWaalsContact CZ-OE1 3.28Å; R74-E76 IonicContact CZ-OE2 3.5Å; R74-E76 IonicContact NE-OE1 3.35Å; R74-E76 PolarHBondContact NE-OE1 3.29Å; R74-E76 IonicContact NE-OE2 3.68Å; R74-E76 IonicContact NH1-OE1 2.75Å; R74-E76 PolarHBondContact NH1-OE1 3.24Å; R74-E76 IonicContact NH1-OE2 3.53Å; R74-E76 IonicContact NH2-OE2 3.99Å; R74-E76 PolarHBondContact O-N 2.94Å; R74-E76 VanDerWaalsContact O-N 3.17Å
77H96Very high95.1Very high73 Ų7368 Ų6834%0.33839%0.386SS..G310 helixtrans-92.2-5.7-179.3-61.1-50000113.8M21 Q22 R74 G75M21-H77 CarbonylContact C-O 3.52Å; M21-H77 VanDerWaalsContact CA-O 3.27Å; M21-H77 WeakPolarHBondContact CA-O 3.04Å; M21-H77 HydrophobicContact CE-CB 3.99Å; Q22-H77 PolarHBondContact N-O 3.42Å; Q22-H77 PolarHBondContact OE1-ND1 3.13Å; R74-H77 PolarHBondContact O-N 3.04Å; R74-H77 VanDerWaalsContact O-N 3.12Å; G75-H77 PolarHBondContact O-N 3.45Å
78V95.1Very high94.8Very high27 Ų2767.1 Ų67.116%0.16437%0.373CS..EExtended strand (participates in β ladder)trans-83.6123.5-179.2-177.90000109.4I40 L73 G75 M81I40-V78 HydrophobicContact CD1-CG1 4.21Å; I40-V78 HydrophobicContact CD1-CG2 3.68Å; L73-V78 HydrophobicContact CD2-CG2 3.28Å; L73-V78 HydrophobicContact CG-CG2 4.3Å; G75-V78 PolarHBondContact O-N 2.83Å; G75-V78 VanDerWaalsContact O-N 3.15Å; V78-M81 HydrophobicContact CG1-CG 3.86Å; V78-M81 HydrophobicContact CG1-SD 4.38Å
79V94.8Very high94.3Very high86 Ų8669.7 Ų69.752%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-97.3-52.4174-172.40000110.3T20 Q22T20-V79 PolarHBondContact O-N 3.02Å; Q22-V79 HydrophobicContact CB-CG2 4.23Å; Q22-V79 HydrophobicContact CG-CG2 3.65Å
80T93.7Very high93.1Very high63 Ų6374.9 Ų74.939%0.38741%0.41SS..EExtended strand (participates in β ladder)trans-143.9157.1-179.361.50000111.6C19 T20C19-T80 WeakPolarHBondContact CA-O 3.41Å; T20-T80 WeakPolarHBondContact CB-OG1 3.24Å; T20-T80 PolarHBondContact N-O 3.34Å; T20-T80 PolarHBondContact O-N 3.34Å; T20-T80 PolarHBondContact OG1-OG1 2.79Å
81M93.1Very high91.2Very high47 Ų4776.2 Ų76.223%0.23242%0.418CS..EExtended strand (participates in β ladder)trans-136.2126.1174.7-61.9-173.7-61.100109.4I9 I17 R18 M38 I40 V78I9-M81 HydrophobicContact CD1-CE 3.31Å; I9-M81 HydrophobicContact CD1-SD 4.43Å; I9-M81 HydrophobicContact CG1-CE 4.24Å; I17-M81 HydrophobicContact CG2-CB 3.85Å; I17-M81 HydrophobicContact CG2-CG 4.45Å; R18-M81 WeakPolarHBondContact O-CA 2.95Å; M38-M81 HydrophobicContact CE-CE 3.29Å; M38-M81 HydrophobicContact CE-SD 4.25Å; I40-M81 HydrophobicContact CD1-CE 4.43Å; I40-M81 HydrophobicContact CD1-CG 4.41Å; I40-M81 HydrophobicContact CD1-SD 3.26Å; I40-M81 WeakPolarHBondContact CD1-SD 3.41Å; I40-M81 HydrophobicContact CG1-SD 4.23Å; V78-M81 HydrophobicContact CG1-CG 3.86Å; V78-M81 HydrophobicContact CG1-SD 4.38Å
82N94.9Very high89.1Confident99 Ų9979 Ų7953%0.52944%0.444SS..EExtended strand (participates in β ladder)trans-125.8144.3178.7-65.2-33.5000110I17 R18 D84I17-N82 CarbonylContact C-O 3.58Å; I17-N82 WeakPolarHBondContact CA-O 3.39Å; I17-N82 WeakPolarHBondContact CG2-O 3.16Å; R18-N82 PolarHBondContact N-O 3.23Å; R18-N82 PolarHBondContact O-N 2.92Å; N82-D84 PolarHBondContact O-N 2.72Å
83V95.2Very high86.6Confident72 Ų7276.3 Ų76.344%0.43644%0.441SS..EExtended strand (participates in β ladder)trans-70.9121.5173.7-175.50000109H12 Y15H12-V83 WeakPolarHBondContact CD2-CG2 3.33Å; Y15-V83 HydrophobicContact CD1-CG1 3.7Å; Y15-V83 HydrophobicContact CG-CG1 4.38Å
84D94Very high84.5Confident70 Ų7086.6 Ų86.637%0.37448%0.479SS..EExtended strand (participates in β ladder)trans-97.6-32.9179.6-16473.7000111.3R16 R18 V28 N82R16-D84 PolarHBondContact O-N 3.11Å; R18-D84 HydrophobicContact CB-CB 4.2Å; R18-D84 IonicContact CZ-OD1 3.36Å; R18-D84 IonicContact NE-OD1 3.09Å; R18-D84 PolarHBondContact NE-OD1 3.47Å; R18-D84 VanDerWaalsContact NE-OD1 3.09Å; R18-D84 IonicContact NH2-OD1 2.74Å; R18-D84 PolarHBondContact NH2-OD1 3.19Å; R18-D84 IonicContact NH2-OD2 3.94Å; V28-D84 HydrophobicContact CG1-CB 4.38Å; N82-D84 PolarHBondContact O-N 2.72Å
85G94.2Very high82.6Confident17 Ų1784.6 Ų84.618%0.17548%0.483CS..EExtended strand (participates in β ladder)trans-164.8169.3-179.700000114.1R16R16-G85 PolarHBondContact N-O 3.22Å; R16-G85 VanDerWaalsContact N-O 3.09Å; R16-G85 PolarHBondContact O-N 2.88Å; R16-G85 VanDerWaalsContact O-N 3.14Å
86P94.7Very high80.6Confident102 Ų10289.4 Ų89.466%0.66251%0.513SS*.PPolyproline II helixtrans-64.2163.6178.529.9-35.9000111.3P88P86-P88 WeakPolarHBondContact O-CD 3.45Å
87P93Very high78.7Confident51 Ų5191.5 Ų91.533%0.33153%0.526SS..PPolyproline II helixtrans-55.8127171.8-24.735.6000111.1N14 Y15N14-P87 HydrophobicContact CB-CB 4.13Å; N14-P87 HydrophobicContact CB-CG 4.41Å; N14-P87 WeakPolarHBondContact O-CA 3.2Å; N14-P87 VanDerWaalsContact O-CB 3.26Å; N14-P87 WeakPolarHBondContact O-CB 3.37Å; Y15-P87 HydrophobicContact CD1-CG 4.27Å; Y15-P87 HydrophobicContact CD2-CG 3.74Å; Y15-P87 HydrophobicContact CE1-CG 4.31Å; Y15-P87 HydrophobicContact CE2-CG 3.78Å; Y15-P87 HydrophobicContact CG-CG 3.99Å
88P89.2Confident76.5Confident57 Ų5793.2 Ų93.237%0.3754%0.544SS..PPolyproline II helixtrans-56.7143.6169.1-22.333.5000109.6T30 P86 E90T30-P88 HydrophobicContact CG2-CG 4.41Å; P86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-E90 PolarHBondContact O-N 2.96Å; P88-E90 VanDerWaalsContact O-N 3.08Å
89P84.1Confident74.1Confident120 Ų12094.7 Ų94.778%0.77955%0.553SS**PPolyproline II helixtrans-56.4122169.625.9-32.3000107.2D91P89-D91 PolarHBondContact O-N 2.9Å
90E71.7Confident71.7Confident136 Ų13695.5 Ų95.564%0.63657%0.569SS**PPolyproline II helixtrans-64123.2-176.4-48-170.9-144.200108.1P88 A92P88-E90 PolarHBondContact O-N 2.96Å; P88-E90 VanDerWaalsContact O-N 3.08Å; E90-A92 PolarHBondContact O-N 3.5Å
91D56.3Low69.3Low157 Ų15796.3 Ų96.384%0.8459%0.589SS**  trans-68.571.7160.6-76.6-40.2000107.7P89 A93P89-D91 PolarHBondContact O-N 2.9Å; D91-A93 PolarHBondContact O-N 2.93Å
92A50.8Low67.1Low84 Ų8497.2 Ų97.269%0.69461%0.605SS**  trans-66.714.2165.400000111.8E90 R94E90-A92 PolarHBondContact O-N 3.5Å; A92-R94 PolarHBondContact O-N 2.9Å
93A45.6Very low64.4Low75 Ų75102.9 Ų102.962%0.6262%0.619SS**  trans-65.171.8149.800000108.2D91 V95D91-A93 PolarHBondContact O-N 2.93Å; A93-V95 VanDerWaalsContact C-N 3.3Å; A93-V95 PolarHBondContact O-N 2.97Å
94R50.4Low62Low229 Ų229104.2 Ų104.286%0.86463%0.631SS**  trans-40.8112.7141.5-75.7-177.7176.6133.1-0.2104A92 P96A92-R94 PolarHBondContact O-N 2.9Å; R94-P96 WeakPolarHBondContact O-CD 3.38Å
95V56.9Low59.6Low110 Ų110107.1 Ų107.167%0.66765%0.651SS**  trans-39.7112.8167.5179.50000104.3A93 L97A93-V95 VanDerWaalsContact C-N 3.3Å; A93-V95 PolarHBondContact O-N 2.97Å; V95-L97 PolarHBondContact O-N 3.39Å
96P52Low57.1Low112 Ų112110.2 Ų110.273%0.72768%0.683SS**  trans-61.8104172.9-3.514.3000101.8R94 P98R94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-P98 WeakPolarHBondContact O-CD 3.27Å
97L56.3Low54.8Low135 Ų135111.7 Ų111.771%0.70769%0.69SS**  trans-53107.9178.6-13879000104.2V95 T99V95-L97 PolarHBondContact O-N 3.39Å; L97-T99 PolarHBondContact O-N 3.49Å
98P50.6Low52.7Low108 Ų108118.4 Ų118.470%0.70171%0.714SS**SBendtrans-70.5111.8171.228.2-22.6000101.9P96P96-P98 WeakPolarHBondContact O-CD 3.27Å
99T44.2Very low51.1Low58 Ų58121.6 Ų121.636%0.35674%0.735SS.*  trans98.575.8179.1-43.60000115.3L97 A102 W103L97-T99 PolarHBondContact O-N 3.49Å; T99-A102 HydrophobicContact CG2-CB 3.94Å; T99-W103 HydrophobicContact CG2-CB 4.18Å; T99-W103 HydrophobicContact CG2-CE3 4.27Å
100A44.9Very low49.6Very low104 Ų104123.7 Ų123.786%0.8674%0.739SS**SBend-109.220.1128.300000111
101G42.9Very low48.6Very low79 Ų79121.7 Ų121.781%0.81474%0.736SS**SBendtrans-142.311.1-175.900000115.7
102A47.2Very low48.4Very low67 Ų67118.3 Ų118.355%0.55474%0.738SS**SBendtrans-130.6-6.7-175.400000115.6T99T99-A102 HydrophobicContact CG2-CB 3.94Å
103W39.1Very low48.6Very low218 Ų218120.1 Ų120.183%0.82674%0.735SS**SBendtrans-157.1106.5165.9-83.9-73000103.2T99T99-W103 HydrophobicContact CG2-CB 4.18Å; T99-W103 HydrophobicContact CG2-CE3 4.27Å
104S44.2Very low48.9Very low100 Ų100121.3 Ų121.370%0.69975%0.745SS**SBend-165.4138.455.242.20000108
105T44.4Very low48.8Very low130 Ų130116.6 Ų116.680%0.79874%0.741SS**  trans5183.7154.458.90000117.1V107T105-V107 PolarHBondContact O-N 3.15Å
106G40.8Very low48.3Very low82 Ų82114.1 Ų114.185%0.84574%0.738SS**  trans49.363.5132.100000118.2
107V47.1Very low48Very low133 Ų133121 Ų12181%0.80675%0.749SS**  trans-142.2103.9150.3-172.90000107.8T105T105-V107 PolarHBondContact O-N 3.15Å
108K48.8Very low47.5Very low193 Ų193117.9 Ų117.984%0.83975%0.749SS**  trans-67.5128.5167.1-68.1177.4175.9-179.30107.2L110K108-L110 PolarHBondContact O-N 3.12Å
109P54.8Low47.4Very low124 Ų124121.9 Ų121.981%0.80576%0.761SS**  trans-64.9117169.826-28000107.1T111P109-T111 PolarHBondContact O-N 3.21Å
110L52.3Low47.5Very low164 Ų164124.6 Ų124.686%0.85978%0.78SS**  trans-63.2101.7179.7-154.583.7000108.3K108 G112K108-L110 PolarHBondContact O-N 3.12Å; L110-G112 PolarHBondContact O-N 3.17Å
111T52.3Low47.2Very low94 Ų94127.8 Ų127.858%0.57778%0.781SS**  34.486125.9-44.50000115.8P109 I113P109-T111 PolarHBondContact O-N 3.21Å; T111-I113 HydrophobicContact CG2-CB 3.91Å; T111-I113 HydrophobicContact CG2-CD1 3.23Å; T111-I113 HydrophobicContact CG2-CG1 3.28Å; T111-I113 PolarHBondContact O-N 2.94Å
112G52.1Low47.4Very low85 Ų85128.7 Ų128.788%0.87678%0.781SS**  trans-79.771.1152.300000109.6L110 A114L110-G112 PolarHBondContact O-N 3.17Å; G112-A114 PolarHBondContact O-N 2.79Å
113I53.8Low47.3Very low122 Ų122131.4 Ų131.463%0.62679%0.791SS**  trans-77.3115.2166.5-76.6166.4000106.9T111 V115T111-I113 HydrophobicContact CG2-CB 3.91Å; T111-I113 HydrophobicContact CG2-CD1 3.23Å; T111-I113 HydrophobicContact CG2-CG1 3.28Å; T111-I113 PolarHBondContact O-N 2.94Å; I113-V115 VanDerWaalsContact C-N 3.34Å; I113-V115 HydrophobicContact CG2-CG2 3.72Å; I113-V115 PolarHBondContact O-N 3.26Å
114A52.8Low47.3Very low101 Ų101127.1 Ų127.184%0.83579%0.791SS**  trans-66.395162.900000108.3G112 G116G112-A114 PolarHBondContact O-N 2.79Å; A114-G116 VanDerWaalsContact C-N 3.34Å; A114-G116 PolarHBondContact O-N 3.33Å; A114-G116 VanDerWaalsContact O-N 3.09Å
115V47.3Very low47.2Very low130 Ų130127 Ų12779%0.78880%0.796SS**  trans-77.992168.11800000107.1I113I113-V115 VanDerWaalsContact C-N 3.34Å; I113-V115 HydrophobicContact CG2-CG2 3.72Å; I113-V115 PolarHBondContact O-N 3.26Å
116G46.6Very low47.2Very low58 Ų58125.8 Ų125.860%0.59880%0.8SS**  trans-62.3137.9163.400000109.8A114 G118A114-G116 VanDerWaalsContact C-N 3.34Å; A114-G116 PolarHBondContact O-N 3.33Å; A114-G116 VanDerWaalsContact O-N 3.09Å; G116-G118 PolarHBondContact O-N 2.87Å
117R45.2Very low47.3Very low257 Ų257126.7 Ų126.797%0.9780%0.799SS**SBendtrans-46.6121.2174.1-81.2171.2153.1122.8-7.4111.3
118G45.9Very low47.3Very low68 Ų68128.6 Ų128.670%0.70180%0.803SS**  trans105.597.1161.600000114G116G116-G118 PolarHBondContact O-N 2.87Å
119M48.2Very low47.2Very low193 Ų193123.6 Ų123.695%0.95180%0.797SS**  -175.6154.1123.7-99.6-163.8-172.300111.5
120P46Very low46.9Very low115 Ų115123.9 Ų123.975%0.74780%0.799SS**  trans-86.4158.1-154.134.1-35.5000114.8
121L39.7Very low47Very low170 Ų170120.7 Ų120.789%0.8980%0.797SS**  trans-56.3120.5172.4-169.575.6000111.8
122A47.2Very low47.4Very low98 Ų98122 Ų12281%0.8181%0.806SS**  trans-124.7120.2165.200000109.2
123T44.7Very low47.6Very low124 Ų124123.8 Ų123.876%0.76180%0.803SS**  trans-75.7149.2-17840.50000111.9
124P39.8Very low47.8Very low129 Ų129123 Ų12384%0.83882%0.815SS**  trans-89.9122.6-173.434.1-29.5000111.2
125A42.5Very low48.2Very low97 Ų97121.6 Ų121.680%0.80281%0.81SS**  trans-153.3128.8160.200000110.2
126A43.1Very low48.8Very low105 Ų105124.3 Ų124.387%0.86882%0.819SS**  trans67.295.8161.400000118.4
127A44.3Very low49.2Very low100 Ų100125.3 Ų125.383%0.82683%0.829SS**  trans-164.199.4139.900000111.3
128I45.3Very low50.2Low174 Ų174115.9 Ų115.989%0.89281%0.812SS**  trans7.1132.9143.2-58.2161000117.7
129A47Very low51.1Low88 Ų88119.2 Ų119.273%0.72782%0.821SS**  trans-57.1163.2179.500000115.4
130P48.5Very low51.5Low129 Ų129115.6 Ų115.684%0.83881%0.81SS**  -146.9163.989.733.2-12.9000115.7
131A54.4Low51.6Low98 Ų98122.4 Ų122.481%0.8182%0.821SS**PPolyproline II helixtrans-67.9151.8-176.600000115.4
132P61.3Low52.8Low120 Ų120117.9 Ų117.978%0.77982%0.815SS**PPolyproline II helixtrans-102.1163.6158.616.23.9000113
133P56.5Low53.3Low124 Ų124119.6 Ų119.681%0.80582%0.815SS**PPolyproline II helixtrans-98.6160.6-139.135.8-33.4000116.1
134A58.6Low54Low106 Ų106117.2 Ų117.288%0.87682%0.815SS**PPolyproline II helixtrans-60.6140.5163.500000111.4
135G60.5Low54.9Low71 Ų71115.5 Ų115.573%0.73281%0.812SS**  trans169.4-10.9172.800000119.6G137G135-G137 PolarHBondContact O-N 3.35Å
136L60.4Low55.8Low187 Ų187114.9 Ų114.998%0.97980%0.8SS**  trans-100.863.5-179.7-94.577.7000112.6
137G53.4Low56.7Low78 Ų78112.8 Ų112.880%0.80478%0.782SS**  trans-92.4104.1163.900000109.8G135G135-G137 PolarHBondContact O-N 3.35Å
138G67.3Low57.5Low60 Ų60113.3 Ų113.362%0.61978%0.777SS**PPolyproline II helixtrans-76159.7173.700000112.7V140G138-V140 PolarHBondContact O-N 2.75Å
139P64.8Low58.7Low138 Ų138107.7 Ų107.790%0.89676%0.762SS**PPolyproline II helixtrans-61.3128.1-175.423.3-32.2000112.3
140V55.4Low59.7Low116 Ų116110.3 Ų110.370%0.70376%0.763SS**PPolyproline II helixtrans-70.4126.5173.8172.30000109.5G138 G142G138-V140 PolarHBondContact O-N 2.75Å; V140-G142 PolarHBondContact O-N 3.09Å
141W49.5Very low60.7Low259 Ų259111.4 Ų111.498%0.98176%0.759SS**THydrogen-bonded Turntrans-63.6121.8172-14573.6000109.1
142G63.7Low61.5Low74 Ų74113.6 Ų113.676%0.76375%0.752SS**THydrogen-bonded Turntrans119.1-4.1173.800000116.9V140V140-G142 PolarHBondContact O-N 3.09Å
143V57.8Low61.7Low135 Ų135114.1 Ų114.182%0.81876%0.756SS**SBendtrans-107.4106.3175.4-175.40000109.4
144G60Low61.8Low73 Ų73119 Ų11975%0.75376%0.758SS**  trans1405.717300000117.4
145A59.3Low61.5Low94 Ų94118.2 Ų118.278%0.77775%0.752SS**PPolyproline II helixtrans-66.5127.4177.500000111.1
146P60.4Low61.3Low84 Ų84122 Ų12255%0.54576%0.755SS.*PPolyproline II helixtrans-64143.4176.624.5-31.3000110.8
147A61.5Low61Low61 Ų61119.3 Ų119.350%0.50475%0.748SS.*PPolyproline II helixtrans-54.2141-175.400000112.2G149 L150A147-G149 PolarHBondContact O-N 2.8Å; A147-L150 HydrophobicContact CB-CD1 4.45Å; A147-L150 PolarHBondContact O-N 3.16Å
148P63.1Low61.7Low110 Ų110119.3 Ų119.371%0.71475%0.749SS**G310 helixtrans-54.9-21.5-176.1-27.534000115.5L150 M151P148-L150 VanDerWaalsContact C-N 3.26Å; P148-L150 PolarHBondContact O-N 3.19Å; P148-M151 PolarHBondContact O-N 3.03Å
149G68.5Low61.5Low57 Ų57124.5 Ų124.559%0.58876%0.759SS**G310 helixtrans-66.2-22.3175.900000114.6A147A147-G149 PolarHBondContact O-N 2.8Å
150L68.9Low61.9Low143 Ų143123.1 Ų123.175%0.74975%0.75SS**G310 helixtrans-83-11.2179.6-82.9124.8000114.1A147 P148A147-L150 HydrophobicContact CB-CD1 4.45Å; A147-L150 PolarHBondContact O-N 3.16Å; P148-L150 VanDerWaalsContact C-N 3.26Å; P148-L150 PolarHBondContact O-N 3.19Å
151M69.1Low62.9Low152 Ų152123 Ų12375%0.74975%0.752SS**G310 helixtrans-91.51.6-179.5-70.3-160.7176.700114.3P148P148-M151 PolarHBondContact O-N 3.03Å
152Q71.3Confident64.3Low143 Ų143116.3 Ų116.367%0.66874%0.741SS**SBendtrans-86.5123.9-177.5-55.6-176.924.600110R154Q152-R154 PolarHBondContact O-N 3.23Å
153P64.9Low64.9Low131 Ų131118.5 Ų118.585%0.85174%0.742SS**  trans-64.5104.1172.625.1-30.7000108.6A155P153-A155 PolarHBondContact O-N 3.3Å
154R58.5Low65.9Low226 Ų226117.6 Ų117.685%0.85374%0.739SS**  trans-72.7113.7174.2-166.8173.6175.7104.5-2.5107.7Q152 L156Q152-R154 PolarHBondContact O-N 3.23Å; R154-L156 PolarHBondContact O-N 3.46Å
155A53.6Low66.5Low90 Ų90119.4 Ų119.474%0.74474%0.737SS**PPolyproline II helixtrans-59.3121.8168.700000108.7P153P153-A155 PolarHBondContact O-N 3.3Å
156L55.1Low66.9Low152 Ų152121.3 Ų121.380%0.79674%0.742SS**PPolyproline II helixtrans-62.3125.7172.5-81.4155.5000108.8R154 G158R154-L156 PolarHBondContact O-N 3.46Å; L156-G158 PolarHBondContact O-N 3.37Å
157P55.8Low66.8Low129 Ų129124.4 Ų124.484%0.83876%0.759SS**THydrogen-bonded Turntrans-60.2121.8171.6-18.330.4000109.3
158G67Low66.3Low79 Ų79125.2 Ų125.281%0.81477%0.774SS**THydrogen-bonded Turntrans126.9-3.7172.700000116.5L156L156-G158 PolarHBondContact O-N 3.37Å
159M64.2Low65.9Low169 Ų169124.5 Ų124.583%0.83378%0.777SS**PPolyproline II helixtrans-90.9120.7174.3-151.3121.484.500110.7
160P72.5Confident64.9Low108 Ų108127.7 Ų127.770%0.70179%0.788SS**PPolyproline II helixtrans-64.7146.7174.826-33000110.7
161P76.2Confident63.7Low115 Ų115127.9 Ų127.975%0.74780%0.795SS**PPolyproline II helixtrans-63.5147.8177.227.1-33.9000110.9
162P78.7Confident62.6Low118 Ų118125.1 Ų125.177%0.76680%0.796SS**PPolyproline II helixtrans-62.6144.117426.6-33.1000110.6
163P77.2Confident61.4Low119 Ų119122.6 Ų122.677%0.77380%0.799SS**PPolyproline II helixtrans-65.3147.7-179.826.4-33.3000111.4
164P77.6Confident60.2Low116 Ų116127 Ų12775%0.75381%0.806SS**PPolyproline II helixtrans-66.4148.9179.727.2-33.5000111.6
165P73.4Confident59.5Low111 Ų111119.7 Ų119.772%0.72180%0.8SS**PPolyproline II helixtrans-63.5145.4176.126.6-33.2000110.8T167P165-T167 PolarHBondContact O-N 3.19Å; P165-T167 VanDerWaalsContact O-N 3.07Å
166P67.4Low58.8Low134 Ų134128.1 Ų128.187%0.8781%0.813SS**  trans-64.7112.6-178.324.6-31.2000110.7
167T57.9Low58.1Low149 Ų149124.3 Ų124.391%0.91481%0.81SS**  trans-69.2120.6165.29.30000109.2P165P165-T167 PolarHBondContact O-N 3.19Å; P165-T167 VanDerWaalsContact O-N 3.07Å
168G51.8Low58.1Low78 Ų78126.3 Ų126.380%0.80481%0.81SS**  trans124.788.316000000115.3
169A53.8Low58Low95 Ų95127.5 Ų127.579%0.78580%0.804SS**  trans-147.3133.5134.900000108.2
170P48.2Very low57.6Low125 Ų125125 Ų12581%0.81280%0.8SS**  trans-74.9150.8-170.930.5-32.4000111.6A172P170-A172 PolarHBondContact O-N 2.93Å
171T44.2Very low56.4Low147 Ų147126.3 Ų126.390%0.90281%0.806SS**  trans-50.3118.9169.749.20000112.5
172A46.1Very low55.2Low94 Ų94127.1 Ų127.178%0.77781%0.809SS**  trans-121.298.4153.300000105.9P170P170-A172 PolarHBondContact O-N 2.93Å
173A44.5Very low53.6Low89 Ų89125.4 Ų125.474%0.73681%0.805SS**  68.295.597.600000112.1G175A173-G175 PolarHBondContact O-N 3.37Å
174F40.3Very low52.2Low224 Ų224126.1 Ų126.198%0.98281%0.807SS**  trans11.7106.3145.2-76.8-97.1000116.3
175G43Very low50.5Low72 Ų72131.4 Ų131.474%0.74281%0.811SS**  trans-159.886.8176.100000111.9A173 G177A173-G175 PolarHBondContact O-N 3.37Å; G175-G177 PolarHBondContact O-N 3.31Å
176R39.3Very low49.1Very low268 Ų268129.5 Ų129.5100%1.01181%0.812SS**  trans-49.795.8170.7-163.1-176.4-166.9-177.93.5110.4
177G41.1Very low48.8Very low71 Ų71133.1 Ų133.173%0.73281%0.81SS**  trans-115.3105.7-178.100000112G175G175-G177 PolarHBondContact O-N 3.31Å
178M56.2Low49.2Very low171 Ų171131.2 Ų131.284%0.84280%0.8SS**PPolyproline II helixtrans-51147.5171.1-86.2161.459.100112.4
179P65Low50.1Low105 Ų105133.1 Ų133.168%0.68280%0.798SS**PPolyproline II helixtrans-68.6142.1171.330.1-33000110.2V181P179-V181 PolarHBondContact O-N 3.26Å
180P56.2Low51Low116 Ų116134.1 Ų134.175%0.75380%0.797SS**PPolyproline II helixtrans-68.5116.2177.827.6-32000109.8T182P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.09Å
181V45.7Very low52.5Low135 Ų135133.6 Ų133.682%0.81879%0.793SS**  trans-78.784.7166.9-166.30000106.8P179 A183P179-V181 PolarHBondContact O-N 3.26Å; V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.38Å
182T50.6Low54.1Low133 Ų133132.1 Ų132.182%0.81679%0.786SS**  trans-71.397.9167.6340000108.8P180P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.09Å
183A47Very low55.6Low81 Ų81133.2 Ų133.267%0.66979%0.785SS**  trans-51.7139.9156.700000110.8V181V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.38Å
184V47.6Very low57.2Low135 Ų135134.4 Ų134.482%0.81879%0.786SS**  154.599.8117.5173.50000107.1G186V184-G186 PolarHBondContact O-N 3.27Å
185R41.2Very low58.8Low226 Ų226129 Ų12985%0.85377%0.773SS**  trans-48.999.4166.1-172.1-179.9-171.6-179.81.9109.5Y187R185-Y187 PolarHBondContact O-N 2.97Å
186G44.7Very low59.7Low71 Ų71132.3 Ų132.373%0.73278%0.781SS**  trans-66.2115173.100000110.5V184V184-G186 PolarHBondContact O-N 3.27Å
187Y59.8Low60.6Low211 Ų211122.8 Ų122.883%0.82777%0.766SS**PPolyproline II helixtrans-61.2140.3166.5-81.8-93.8000109.7R185R185-Y187 PolarHBondContact O-N 2.97Å
188P66.6Low61.2Low109 Ų109130.5 Ų130.571%0.70878%0.775SS**PPolyproline II helixtrans-67.2144.7174.629.1-32.8000110.1
189P70.2Confident60.8Low117 Ų117137.8 Ų137.876%0.7679%0.793SS**PPolyproline II helixtrans-65.8150.6177.928-33.8000111.2
190P74.1Confident60.6Low117 Ų117139.4 Ų139.476%0.7680%0.799SS**PPolyproline II helixtrans-67.3154.117828.7-33.9000111.7
191P78.1Confident60.8Low114 Ų114140.6 Ų140.674%0.7480%0.801SS**PPolyproline II helixtrans-67.9150.5179.828.1-33.6000112
192P78.7Confident61.7Low115 Ų115140.9 Ų140.975%0.74780%0.8SS**PPolyproline II helixtrans-67.8152.9179.128.2-33.8000111.8
193P77.9Confident62.3Low118 Ų118141.4 Ų141.477%0.76680%0.799SS**PPolyproline II helixtrans-65.4152179.427.6-33.8000111.5
194P78.2Confident63.3Low114 Ų114145.2 Ų145.274%0.7481%0.807SS**PPolyproline II helixtrans-64.5147.4179.427-33.4000111.2
195P74.3Confident64.3Low109 Ų109145.9 Ų145.971%0.70881%0.807SS**PPolyproline II helixtrans-62.7141.7179.523.8-31.6000111.2G197P195-G197 PolarHBondContact O-N 3.31Å; P195-G197 VanDerWaalsContact O-N 3.09Å
196P61.2Low66Low142 Ų142140.1 Ų140.192%0.92280%0.803SS**SBendtrans-66.6110175.2-10.624.8000108.7
197G58.7Low67.6Low68 Ų68145.5 Ų145.570%0.70181%0.809SS**  trans174.7-7.1179.800000120.5P195P195-G197 PolarHBondContact O-N 3.31Å; P195-G197 VanDerWaalsContact O-N 3.09Å
198Y53.5Low68.3Low233 Ų233140 Ų14091%0.91481%0.807SS**  trans-111.3106.6173.1-75.6-84.6000109.9
199R48.1Very low68.4Low324 Ų324142.8 Ų142.8100%1.22382%0.816SS**  trans-69.70162.2-105.3-174.9174.6-1311.3110.2

Retrieved 199 of 199 residues in 26.8 ms (Link to these results)