G4VPM6_SCHMA Loading...

Putative universal stress protein

AlphaFold DB (A0A3Q0KE02), UniProt , Accession G4VPM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low79.3Confident241 Ų241105.1 Ų105.1100%1.18757%0.573SS**  0117.70-58.9-171.8-159.300106.4S3M1-S3 PolarHBondContact O-N 2.72Å
2A57.6Low80.8Confident103 Ų103104.2 Ų104.285%0.85158%0.576SS**  trans-60.8115.2168.500000105.8N4A2-N4 PolarHBondContact O-N 3.09Å; A2-N4 VanDerWaalsContact O-N 3.09Å
3S59.3Low82Confident101 Ų10196.9 Ų96.971%0.70654%0.536SS*.  trans-56122.9170.145.60000105.4M1 C5M1-S3 PolarHBondContact O-N 2.72Å; S3-C5 PolarHBondContact O-N 3.07Å
4N68.2Low82.8Confident167 Ų16797.1 Ų97.189%0.89354%0.536SS*.  trans-71.743.3176.1-16120000109.9A2 M6A2-N4 PolarHBondContact O-N 3.09Å; A2-N4 VanDerWaalsContact O-N 3.09Å; N4-M6 PolarHBondContact O-N 3.1Å; N4-M6 VanDerWaalsContact O-N 3.1Å
5C73.5Confident83.3Confident99 Ų9992.7 Ų92.767%0.66952%0.521SS*.  trans-84.290.9-171-166.40000107.1S3 R7S3-C5 PolarHBondContact O-N 3.07Å; C5-R7 PolarHBondContact O-N 3.09Å
6M88.2Confident84.1Confident66 Ų6689.1 Ų89.133%0.32550%0.503SS..  trans-45.9121.4171.5-169.5177.164.700110.1N4 R8 D34 F36N4-M6 PolarHBondContact O-N 3.1Å; N4-M6 VanDerWaalsContact O-N 3.1Å; M6-R8 PolarHBondContact O-N 2.89Å; M6-D34 WeakPolarHBondContact CG-O 3.4Å; M6-F36 HydrophobicContact CE-CB 3.55Å; M6-F36 HydrophobicContact CE-CD2 3.84Å; M6-F36 HydrophobicContact CE-CG 3.93Å; M6-F36 HydrophobicContact CG-CB 4.24Å; M6-F36 HydrophobicContact SD-CB 3.84Å; M6-F36 HydrophobicContact SD-CD2 4.21Å; M6-F36 HydrophobicContact SD-CG 4.48Å
7R93.6Very high84.7Confident49 Ų4990.2 Ų90.219%0.18550%0.504CS..EExtended strand (participates in β ladder)trans-70.7123.8-179.8-179174.669.4157.15.2108.6C5 V9 F30 R32 D35 F36C5-R7 PolarHBondContact O-N 3.09Å; R7-V9 HydrophobicContact CG-CG2 4.32Å; R7-F30 PolarHBondContact NH2-O 2.95Å; R7-R32 VanDerWaalsContact CZ-CD 3.42Å; R7-R32 VanDerWaalsContact NH2-CG 3.26Å; R7-D35 WeakPolarHBondContact CB-OD1 3.46Å; R7-D35 IonicContact CZ-OD1 2.68Å; R7-D35 VanDerWaalsContact CZ-OD1 3.24Å; R7-D35 IonicContact CZ-OD2 3.73Å; R7-D35 IonicContact NE-OD1 2.67Å; R7-D35 PolarHBondContact NE-OD1 3.23Å; R7-D35 IonicContact NE-OD2 2.68Å; R7-D35 IonicContact NH2-OD1 3.58Å; R7-D35 PolarHBondContact NH2-OD1 2.95Å; R7-D35 IonicContact NH2-OD2 2.8Å; R7-D35 PolarHBondContact NH2-OD2 2.88Å; R7-D35 WeakPolarHBondContact O-CA 3.27Å; R7-F36 PolarHBondContact O-N 2.99Å
8R96Very high85.4Confident178 Ų17892.7 Ų92.767%0.67251%0.51SS*.EExtended strand (participates in β ladder)trans-95.6128.5176-62.5-179.1-176.1-165.2-0.6109.6M6 F36 Y38M6-R8 PolarHBondContact O-N 2.89Å; R8-F36 WeakPolarHBondContact CA-O 3.42Å; R8-Y38 HydrophobicContact CB-CE2 4.38Å; R8-Y38 HydrophobicContact CG-CE2 4.37Å
9V97.2Very high86Confident24 Ų2488.3 Ų88.315%0.14549%0.487CS..EExtended strand (participates in β ladder)trans-118137.6178.9-174.40000108.5R7 L11 Y26 F36 A37 Y38R7-V9 HydrophobicContact CG-CG2 4.32Å; V9-L11 HydrophobicContact CG1-CD1 3.76Å; V9-L11 HydrophobicContact CG1-CG 4.28Å; V9-Y26 HydrophobicContact CB-CE2 4.15Å; V9-Y26 HydrophobicContact CG1-CD2 4.15Å; V9-Y26 HydrophobicContact CG1-CE1 4.45Å; V9-Y26 HydrophobicContact CG1-CE2 3.73Å; V9-Y26 HydrophobicContact CG2-CE2 3.89Å; V9-Y26 WeakPolarHBondContact CG2-OH 3.29Å; V9-F36 PolarHBondContact N-O 3.05Å; V9-A37 CarbonylContact O-C 3.58Å; V9-A37 WeakPolarHBondContact O-CA 3.37Å; V9-Y38 PolarHBondContact O-N 3.25Å
10L97.9Very high86.5Confident115 Ų11588.2 Ų88.260%0.60248%0.481SS*.EExtended strand (participates in β ladder)trans-118.7122.5176.9-176.571000108.6Y38 F40L10-Y38 CarbonylContact C-O 3.58Å; L10-Y38 WeakPolarHBondContact CA-O 3.46Å; L10-F40 HydrophobicContact CD1-CB 3.65Å; L10-F40 HydrophobicContact CD1-CG 4.3Å; L10-F40 HydrophobicContact CG-CB 4.42Å
11L97.6Very high87Confident13 Ų1390.3 Ų90.37%0.06848%0.482CS..EExtended strand (participates in β ladder)trans-118.7120.3179-70.5118.2000109.9V9 I13 Y26 A37 Y38 F39 F40V9-L11 HydrophobicContact CG1-CD1 3.76Å; V9-L11 HydrophobicContact CG1-CG 4.28Å; L11-I13 HydrophobicContact CB-CD1 4.43Å; L11-Y26 HydrophobicContact CD1-CD1 3.47Å; L11-Y26 VanDerWaalsContact CD1-CD1 3.47Å; L11-Y26 HydrophobicContact CD1-CE1 3.66Å; L11-Y26 HydrophobicContact CD1-CG 3.98Å; L11-Y26 HydrophobicContact CD2-CD1 4.07Å; L11-Y26 HydrophobicContact CD2-CG 3.96Å; L11-Y26 HydrophobicContact CG-CD1 4.4Å; L11-A37 HydrophobicContact CD1-CB 4.33Å; L11-Y38 PolarHBondContact N-O 2.89Å; L11-F39 HydrophobicContact CB-CD1 3.81Å; L11-F39 HydrophobicContact CB-CE1 4.04Å; L11-F39 HydrophobicContact CD1-CD1 4.22Å; L11-F39 HydrophobicContact CD1-CE1 3.75Å; L11-F39 HydrophobicContact CD1-CZ 4.3Å; L11-F39 HydrophobicContact CG-CE1 4.36Å; L11-F39 WeakPolarHBondContact O-CA 3.39Å; L11-F40 PolarHBondContact O-N 2.84Å
12P96.8Very high89.5Confident94 Ų9481 Ų8161%0.6144%0.443SS*.EExtended strand (participates in β ladder)trans-72.8129.4174.129.8-32.9000110.5S19 F40P12-S19 WeakPolarHBondContact O-CB 3.31Å; P12-F40 WeakPolarHBondContact CA-O 3.36Å
13I96.5Very high91.4Very high10 Ų1076.7 Ų76.75%0.05141%0.407CS..  trans-120.4130.3177.8-49.9-56.9000109.5L11 V23 F39 F40 H41 L80 L84L11-I13 HydrophobicContact CB-CD1 4.43Å; I13-V23 HydrophobicContact CD1-CG2 3.15Å; I13-F39 HydrophobicContact CD1-CD1 3.75Å; I13-F39 HydrophobicContact CD1-CE1 4.44Å; I13-F39 HydrophobicContact CG1-CB 3.86Å; I13-F39 HydrophobicContact CG1-CD1 3.87Å; I13-F39 HydrophobicContact CG1-CG 4.33Å; I13-F40 PolarHBondContact N-O 2.66Å; I13-H41 WeakPolarHBondContact O-CA 3.36Å; I13-H41 PolarHBondContact O-ND1 3.29Å; I13-L80 HydrophobicContact CG2-CD1 4.12Å; I13-L80 HydrophobicContact CG2-CD2 3.93Å; I13-L80 HydrophobicContact CG2-CG 4.06Å; I13-L84 HydrophobicContact CG1-CD2 4.36Å
14D93.5Very high93.1Very high100 Ų10076.7 Ų76.754%0.53540%0.399SS..  trans-138.27.9-178.566.4-5000112.9S16 S19D14-S16 PolarHBondContact O-N 2.89Å; D14-S16 WeakPolarHBondContact OD1-CB 3.46Å; D14-S16 PolarHBondContact OD1-N 2.98Å; D14-S16 PolarHBondContact OD1-OG 3.06Å; D14-S16 PolarHBondContact OD2-OG 3.1Å; D14-S19 PolarHBondContact N-OG 2.91Å; D14-S19 WeakPolarHBondContact OD1-CB 3.4Å; D14-S19 PolarHBondContact OD1-OG 2.95Å
15G90.5Very high94.5Very high30 Ų3075.6 Ų75.631%0.30938%0.382SS..SBendtrans75.6-5.7-177.900000114.5K20G15-K20 WeakPolarHBondContact O-CE 3.28Å
16S95.5Very high95.6Very high35 Ų3571 Ų7125%0.24535%0.351CS..SBendtrans-68.9159.4175.3770000111.8D14 H18 S19 K20D14-S16 PolarHBondContact O-N 2.89Å; D14-S16 WeakPolarHBondContact OD1-CB 3.46Å; D14-S16 PolarHBondContact OD1-N 2.98Å; D14-S16 PolarHBondContact OD1-OG 3.06Å; D14-S16 PolarHBondContact OD2-OG 3.1Å; S16-H18 PolarHBondContact O-N 3.24Å; S16-H18 PolarHBondContact OG-N 2.87Å; S16-S19 PolarHBondContact N-OG 2.68Å; S16-S19 PolarHBondContact O-N 3.46Å; S16-S19 PolarHBondContact O-OG 3.25Å; S16-S19 VanDerWaalsContact O-OG 3.1Å; S16-S19 PolarHBondContact OG-N 3.32Å; S16-K20 WeakPolarHBondContact O-CG 3.48Å; S16-K20 PolarHBondContact O-N 2.96Å
17E95.5Very high95.9Very high109 Ų10969.7 Ų69.751%0.50935%0.345SS..Hα-helixtrans-62.5-23.4171.7-64.5-54122.400112.4K20 R21E17-K20 IonicContact OE1-NZ 2.98Å; E17-K20 PolarHBondContact OE1-NZ 3.16Å; E17-R21 WeakPolarHBondContact O-CB 3.09Å; E17-R21 WeakPolarHBondContact O-CG 3.26Å; E17-R21 PolarHBondContact O-N 2.93Å; E17-R21 VanDerWaalsContact O-N 3.09Å; E17-R21 PolarHBondContact O-NH1 2.96Å
18H96.8Very high95.9Very high135 Ų13571.2 Ų71.263%0.62536%0.359SS*.Hα-helixtrans-70.8-48.8177.6-62.9-88.2000111.5S16 K20 R21 A22S16-H18 PolarHBondContact O-N 3.24Å; S16-H18 PolarHBondContact OG-N 2.87Å; H18-K20 VanDerWaalsContact C-N 3.34Å; H18-K20 PolarHBondContact O-N 3.4Å; H18-R21 PolarHBondContact CE1-NH2 2.74Å; H18-R21 VanDerWaalsContact CE1-NH2 3.28Å; H18-R21 PolarHBondContact ND1-NH2 2.8Å; H18-R21 PolarHBondContact O-N 2.93Å; H18-A22 PolarHBondContact O-N 3.07Å
19S96.8Very high95.9Very high8 Ų869.1 Ų69.16%0.05636%0.357CS..Hα-helixtrans-64.4-40.6177.5570000111.2P12 D14 S16 R21 A22 V23P12-S19 WeakPolarHBondContact O-CB 3.31Å; D14-S19 PolarHBondContact N-OG 2.91Å; D14-S19 WeakPolarHBondContact OD1-CB 3.4Å; D14-S19 PolarHBondContact OD1-OG 2.95Å; S16-S19 PolarHBondContact N-OG 2.68Å; S16-S19 PolarHBondContact O-N 3.46Å; S16-S19 PolarHBondContact O-OG 3.25Å; S16-S19 VanDerWaalsContact O-OG 3.1Å; S16-S19 PolarHBondContact OG-N 3.32Å; S19-R21 PolarHBondContact O-N 3.29Å; S19-A22 WeakPolarHBondContact O-CB 3.42Å; S19-A22 PolarHBondContact O-N 3.47Å; S19-A22 VanDerWaalsContact O-N 3.12Å; S19-V23 WeakPolarHBondContact O-CG2 3.24Å; S19-V23 PolarHBondContact O-N 3.47Å
20K95.7Very high95.8Very high87 Ų8772.7 Ų72.738%0.37837%0.371SS..Hα-helixtrans-57.1-46.3174.2-68.3175.3-165.1165.20112.8G15 S16 E17 H18 A22 V23 N24G15-K20 WeakPolarHBondContact O-CE 3.28Å; S16-K20 WeakPolarHBondContact O-CG 3.48Å; S16-K20 PolarHBondContact O-N 2.96Å; E17-K20 IonicContact OE1-NZ 2.98Å; E17-K20 PolarHBondContact OE1-NZ 3.16Å; H18-K20 VanDerWaalsContact C-N 3.34Å; H18-K20 PolarHBondContact O-N 3.4Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.01Å; K20-V23 PolarHBondContact O-N 3.45Å; K20-N24 PolarHBondContact O-N 2.66Å
21R96.7Very high95.7Very high133 Ų13369.6 Ų69.650%0.50236%0.359SS..Hα-helixtrans-63.3-37.9176.5-75.5-167.5-53.7-852.7112.2E17 H18 S19 N24 W25E17-R21 WeakPolarHBondContact O-CB 3.09Å; E17-R21 WeakPolarHBondContact O-CG 3.26Å; E17-R21 PolarHBondContact O-N 2.93Å; E17-R21 VanDerWaalsContact O-N 3.09Å; E17-R21 PolarHBondContact O-NH1 2.96Å; H18-R21 PolarHBondContact CE1-NH2 2.74Å; H18-R21 VanDerWaalsContact CE1-NH2 3.28Å; H18-R21 PolarHBondContact ND1-NH2 2.8Å; H18-R21 PolarHBondContact O-N 2.93Å; S19-R21 PolarHBondContact O-N 3.29Å; R21-N24 PolarHBondContact O-N 2.67Å; R21-W25 WeakPolarHBondContact O-CB 3.44Å; R21-W25 PolarHBondContact O-N 2.77Å
22A97Very high95.4Very high45 Ų4575.4 Ų75.437%0.37238%0.38SS..Hα-helixtrans-64.9-42.4176.500000112H18 S19 K20 Y26H18-A22 PolarHBondContact O-N 3.07Å; S19-A22 WeakPolarHBondContact O-CB 3.42Å; S19-A22 PolarHBondContact O-N 3.47Å; S19-A22 VanDerWaalsContact O-N 3.12Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.01Å; A22-Y26 WeakPolarHBondContact O-CB 3.31Å; A22-Y26 PolarHBondContact O-N 3.35Å
23V96.2Very high95.2Very high13 Ų1377.3 Ų77.38%0.07939%0.393CS..Hα-helixtrans-59.6-50.9173.21750000110.8I13 S19 K20 W25 Y26 L27 F39 L84I13-V23 HydrophobicContact CD1-CG2 3.15Å; S19-V23 WeakPolarHBondContact O-CG2 3.24Å; S19-V23 PolarHBondContact O-N 3.47Å; K20-V23 PolarHBondContact O-N 3.45Å; V23-W25 PolarHBondContact O-N 2.92Å; V23-Y26 WeakPolarHBondContact O-CB 3.49Å; V23-Y26 PolarHBondContact O-N 3.41Å; V23-L27 HydrophobicContact CG1-CD1 3.66Å; V23-L27 HydrophobicContact CG1-CG 4.34Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.39Å; V23-F39 HydrophobicContact CB-CE1 4.49Å; V23-F39 HydrophobicContact CG1-CE1 3.94Å; V23-F39 HydrophobicContact CG1-CZ 4.36Å; V23-F39 HydrophobicContact CG2-CD1 4.25Å; V23-F39 HydrophobicContact CG2-CE1 3.87Å; V23-L84 HydrophobicContact CG1-CD1 4.49Å
24N95.4Very high94.9Very high101 Ų10180.8 Ų80.854%0.5441%0.411SS..Hα-helixtrans-60.4-47.4-179-173.968.4000111.5K20 R21 Y26 L27 T28K20-N24 PolarHBondContact O-N 2.66Å; R21-N24 PolarHBondContact O-N 2.67Å; N24-Y26 VanDerWaalsContact C-N 3.31Å; N24-Y26 PolarHBondContact O-N 2.79Å; N24-L27 PolarHBondContact O-N 2.86Å; N24-T28 WeakPolarHBondContact O-CG2 3.35Å; N24-T28 PolarHBondContact O-N 2.89Å; N24-T28 PolarHBondContact O-OG1 2.94Å
25W97.2Very high95Very high143 Ų14376 Ų7654%0.54239%0.386SS..Hα-helixtrans-59.5-42.3177.2178.383.3000112.3R21 V23 L27 T28 E29 F30R21-W25 WeakPolarHBondContact O-CB 3.44Å; R21-W25 PolarHBondContact O-N 2.77Å; V23-W25 PolarHBondContact O-N 2.92Å; W25-L27 PolarHBondContact O-N 3.21Å; W25-T28 PolarHBondContact O-N 3Å; W25-E29 HydrophobicContact CD2-CB 4.49Å; W25-E29 HydrophobicContact CG-CG 4.3Å; W25-E29 HydrophobicContact CZ2-CB 4.41Å; W25-E29 WeakPolarHBondContact O-CB 3.19Å; W25-E29 PolarHBondContact O-N 2.95Å; W25-F30 HydrophobicContact CE3-CB 4.41Å; W25-F30 HydrophobicContact CH2-CB 3.91Å; W25-F30 AromaticContact CH2-CD2 3.88Å; W25-F30 HydrophobicContact CH2-CD2 3.88Å; W25-F30 AromaticContact CH2-CG 3.96Å; W25-F30 HydrophobicContact CH2-CG 3.96Å; W25-F30 HydrophobicContact CZ3-CB 3.82Å; W25-F30 HydrophobicContact CZ3-CD2 4.42Å; W25-F30 HydrophobicContact CZ3-CG 4.05Å
26Y96.9Very high95.2Very high4 Ų476.4 Ų76.42%0.01638%0.379CS..Iπ-helixtrans-60-48.5175.9166.8-114000111.1V9 L11 A22 V23 N24 T28 F30 S31 D35 A37 I93V9-Y26 HydrophobicContact CB-CE2 4.15Å; V9-Y26 HydrophobicContact CG1-CD2 4.15Å; V9-Y26 HydrophobicContact CG1-CE1 4.45Å; V9-Y26 HydrophobicContact CG1-CE2 3.73Å; V9-Y26 HydrophobicContact CG2-CE2 3.89Å; V9-Y26 WeakPolarHBondContact CG2-OH 3.29Å; L11-Y26 HydrophobicContact CD1-CD1 3.47Å; L11-Y26 VanDerWaalsContact CD1-CD1 3.47Å; L11-Y26 HydrophobicContact CD1-CE1 3.66Å; L11-Y26 HydrophobicContact CD1-CG 3.98Å; L11-Y26 HydrophobicContact CD2-CD1 4.07Å; L11-Y26 HydrophobicContact CD2-CG 3.96Å; L11-Y26 HydrophobicContact CG-CD1 4.4Å; A22-Y26 WeakPolarHBondContact O-CB 3.31Å; A22-Y26 PolarHBondContact O-N 3.35Å; V23-Y26 WeakPolarHBondContact O-CB 3.49Å; V23-Y26 PolarHBondContact O-N 3.41Å; N24-Y26 VanDerWaalsContact C-N 3.31Å; N24-Y26 PolarHBondContact O-N 2.79Å; Y26-T28 PolarHBondContact O-N 3.4Å; Y26-F30 HydrophobicContact CD2-CB 4.05Å; Y26-F30 AromaticContact CD2-CD1 3.92Å; Y26-F30 HydrophobicContact CD2-CD1 3.92Å; Y26-F30 HydrophobicContact CD2-CG 4.48Å; Y26-F30 HydrophobicContact CE2-CD1 4.08Å; Y26-F30 CarbonylContact O-C 3.58Å; Y26-F30 PolarHBondContact O-N 3.25Å; Y26-F30 VanDerWaalsContact O-N 3.07Å; Y26-S31 WeakPolarHBondContact O-CB 3.44Å; Y26-S31 PolarHBondContact O-N 3.5Å; Y26-D35 VanDerWaalsContact OH-CB 3.26Å; Y26-D35 WeakPolarHBondContact OH-CB 3.44Å; Y26-D35 VanDerWaalsContact OH-CG 3.27Å; Y26-D35 PolarHBondContact OH-OD2 3.19Å; Y26-A37 HydrophobicContact CE1-CB 3.95Å; Y26-I93 HydrophobicContact CE1-CD1 3.42Å; Y26-I93 VanDerWaalsContact CE1-CD1 3.42Å; Y26-I93 VanDerWaalsContact OH-CD1 3.27Å; Y26-I93 WeakPolarHBondContact OH-CD1 3.44Å
27L94.2Very high95.3Very high38 Ų3874.8 Ų74.820%0.19937%0.367CS..Iπ-helixtrans-64.5-40.4-178.5-66.8167.9000112.3V23 N24 W25 S31 L88 I93V23-L27 HydrophobicContact CG1-CD1 3.66Å; V23-L27 HydrophobicContact CG1-CG 4.34Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.39Å; N24-L27 PolarHBondContact O-N 2.86Å; W25-L27 PolarHBondContact O-N 3.21Å; L27-S31 PolarHBondContact O-OG 3.45Å; L27-L88 HydrophobicContact CD1-CD2 3.3Å; L27-I93 HydrophobicContact CD2-CD1 4.16Å; L27-I93 HydrophobicContact CD2-CG2 4.2Å
28T94.2Very high95.4Very high80 Ų8072.2 Ų72.249%0.49135%0.354SS..Iπ-helixtrans-82.8-40.4-175.664.90000113.5N24 W25 Y26N24-T28 WeakPolarHBondContact O-CG2 3.35Å; N24-T28 PolarHBondContact O-N 2.89Å; N24-T28 PolarHBondContact O-OG1 2.94Å; W25-T28 PolarHBondContact O-N 3Å; Y26-T28 PolarHBondContact O-N 3.4Å
29E96Very high95.4Very high135 Ų13565.8 Ų65.863%0.63132%0.324SS*.Iπ-helixtrans-107-26.5-168.6-53.5-48.7129.300113.9W25W25-E29 HydrophobicContact CD2-CB 4.49Å; W25-E29 HydrophobicContact CG-CG 4.3Å; W25-E29 HydrophobicContact CZ2-CB 4.41Å; W25-E29 WeakPolarHBondContact O-CB 3.19Å; W25-E29 PolarHBondContact O-N 2.95Å
30F95.6Very high95.4Very high98 Ų9867.8 Ų67.843%0.4333%0.332SS..Iπ-helixtrans-125.5-17.7-162.8-160.5-103.1000114.9R7 W25 Y26R7-F30 PolarHBondContact NH2-O 2.95Å; W25-F30 HydrophobicContact CE3-CB 4.41Å; W25-F30 HydrophobicContact CH2-CB 3.91Å; W25-F30 AromaticContact CH2-CD2 3.88Å; W25-F30 HydrophobicContact CH2-CD2 3.88Å; W25-F30 AromaticContact CH2-CG 3.96Å; W25-F30 HydrophobicContact CH2-CG 3.96Å; W25-F30 HydrophobicContact CZ3-CB 3.82Å; W25-F30 HydrophobicContact CZ3-CD2 4.42Å; W25-F30 HydrophobicContact CZ3-CG 4.05Å; Y26-F30 HydrophobicContact CD2-CB 4.05Å; Y26-F30 AromaticContact CD2-CD1 3.92Å; Y26-F30 HydrophobicContact CD2-CD1 3.92Å; Y26-F30 HydrophobicContact CD2-CG 4.48Å; Y26-F30 HydrophobicContact CE2-CD1 4.08Å; Y26-F30 CarbonylContact O-C 3.58Å; Y26-F30 PolarHBondContact O-N 3.25Å; Y26-F30 VanDerWaalsContact O-N 3.07Å
31S94.5Very high95.5Very high51 Ų5164.7 Ų64.736%0.35732%0.318SS..  trans-63145-178.872.20000110.7Y26 L27Y26-S31 WeakPolarHBondContact O-CB 3.44Å; Y26-S31 PolarHBondContact O-N 3.5Å; L27-S31 PolarHBondContact O-OG 3.45Å
32R93.1Very high95.3Very high135 Ų13561.1 Ų61.151%0.50931%0.311SS..  trans-120.3152.1171.4-67.6172.4-170.2178.80.3109.5R7 D34 D35R7-R32 VanDerWaalsContact CZ-CD 3.42Å; R7-R32 VanDerWaalsContact NH2-CG 3.26Å; R32-D34 VanDerWaalsContact CB-OD1 3.28Å; R32-D34 WeakPolarHBondContact CB-OD1 3.15Å; R32-D34 PolarHBondContact O-N 3.43Å; R32-D34 VanDerWaalsContact O-N 3.1Å; R32-D35 PolarHBondContact N-OD2 2.91Å; R32-D35 WeakPolarHBondContact O-CB 3.43Å; R32-D35 PolarHBondContact O-N 2.96Å
33P90.7Very high95.1Very high134 Ų13459.1 Ų59.187%0.8729%0.294SS*.THydrogen-bonded Turntrans-58.6-23.4-179.6-25.635.2000114.7
34D91.7Very high94.4Very high83 Ų8364 Ų6444%0.44432%0.316SS..THydrogen-bonded Turntrans-103.316.7-179.366.8-40.6000113.1M6 R32M6-D34 WeakPolarHBondContact CG-O 3.4Å; R32-D34 VanDerWaalsContact CB-OD1 3.28Å; R32-D34 WeakPolarHBondContact CB-OD1 3.15Å; R32-D34 PolarHBondContact O-N 3.43Å; R32-D34 VanDerWaalsContact O-N 3.1Å
35D94.6Very high93.4Very high0 Ų059.8 Ų59.80%030%0.295CS..EExtended strand (participates in β ladder)trans-76.7144.4174.3-76.8-13000112.2R7 Y26 R32 I93R7-D35 WeakPolarHBondContact CB-OD1 3.46Å; R7-D35 IonicContact CZ-OD1 2.68Å; R7-D35 VanDerWaalsContact CZ-OD1 3.24Å; R7-D35 IonicContact CZ-OD2 3.73Å; R7-D35 IonicContact NE-OD1 2.67Å; R7-D35 PolarHBondContact NE-OD1 3.23Å; R7-D35 IonicContact NE-OD2 2.68Å; R7-D35 IonicContact NH2-OD1 3.58Å; R7-D35 PolarHBondContact NH2-OD1 2.95Å; R7-D35 IonicContact NH2-OD2 2.8Å; R7-D35 PolarHBondContact NH2-OD2 2.88Å; R7-D35 WeakPolarHBondContact O-CA 3.27Å; Y26-D35 VanDerWaalsContact OH-CB 3.26Å; Y26-D35 WeakPolarHBondContact OH-CB 3.44Å; Y26-D35 VanDerWaalsContact OH-CG 3.27Å; Y26-D35 PolarHBondContact OH-OD2 3.19Å; R32-D35 PolarHBondContact N-OD2 2.91Å; R32-D35 WeakPolarHBondContact O-CB 3.43Å; R32-D35 PolarHBondContact O-N 2.96Å; D35-I93 HydrophobicContact CB-CD1 4.25Å; D35-I93 HydrophobicContact CB-CG1 4.38Å
36F95.4Very high92.1Very high38 Ų3858.7 Ų58.717%0.16730%0.296CS..EExtended strand (participates in β ladder)trans-112.5113.6159.5-164.9-73.7000109.4M6 R7 R8 V9 Y38 Q94 E96M6-F36 HydrophobicContact CE-CB 3.55Å; M6-F36 HydrophobicContact CE-CD2 3.84Å; M6-F36 HydrophobicContact CE-CG 3.93Å; M6-F36 HydrophobicContact CG-CB 4.24Å; M6-F36 HydrophobicContact SD-CB 3.84Å; M6-F36 HydrophobicContact SD-CD2 4.21Å; M6-F36 HydrophobicContact SD-CG 4.48Å; R7-F36 PolarHBondContact O-N 2.99Å; R8-F36 WeakPolarHBondContact CA-O 3.42Å; V9-F36 PolarHBondContact N-O 3.05Å; F36-Y38 HydrophobicContact CD1-CD1 4.5Å; F36-Y38 AromaticContact CD1-CD2 3.96Å; F36-Y38 HydrophobicContact CD1-CD2 3.96Å; F36-Y38 HydrophobicContact CD1-CE1 4.08Å; F36-Y38 AromaticContact CD1-CE2 3.47Å; F36-Y38 HydrophobicContact CD1-CE2 3.47Å; F36-Y38 VanDerWaalsContact CD1-CE2 3.47Å; F36-Y38 HydrophobicContact CD1-CG 4.44Å; F36-Y38 AromaticContact CD1-CZ 3.54Å; F36-Y38 HydrophobicContact CE1-CD1 4.03Å; F36-Y38 HydrophobicContact CE1-CD2 4.3Å; F36-Y38 AromaticContact CE1-CE1 3.51Å; F36-Y38 HydrophobicContact CE1-CE1 3.51Å; F36-Y38 AromaticContact CE1-CE2 3.82Å; F36-Y38 HydrophobicContact CE1-CE2 3.82Å; F36-Y38 HydrophobicContact CE1-CG 4.4Å; F36-Y38 AromaticContact CE1-CZ 3.38Å; F36-Y38 HydrophobicContact CZ-CE1 4.48Å; F36-Q94 WeakPolarHBondContact CA-O 3.43Å; F36-Q94 HydrophobicContact CD2-CB 3.89Å; F36-Q94 HydrophobicContact CE2-CB 4.34Å; F36-E96 HydrophobicContact CE1-CB 3.87Å; F36-E96 HydrophobicContact CZ-CB 4.04Å
37A96.4Very high90.6Very high0 Ų064.5 Ų64.50%032%0.319CS..EExtended strand (participates in β ladder)trans-98.6123.2-176.800000112V9 L11 Y26 F39 I93 Q94 M95 E96V9-A37 CarbonylContact O-C 3.58Å; V9-A37 WeakPolarHBondContact O-CA 3.37Å; L11-A37 HydrophobicContact CD1-CB 4.33Å; Y26-A37 HydrophobicContact CE1-CB 3.95Å; A37-F39 HydrophobicContact CB-CE2 4Å; A37-F39 HydrophobicContact CB-CZ 4.21Å; A37-I93 HydrophobicContact CB-CD1 3.78Å; A37-I93 HydrophobicContact CB-CG1 4.4Å; A37-Q94 PolarHBondContact N-O 3.47Å; A37-M95 HydrophobicContact CB-CB 4.35Å; A37-M95 CarbonylContact O-C 3.59Å; A37-M95 WeakPolarHBondContact O-CA 3.06Å; A37-M95 WeakPolarHBondContact O-CB 3.34Å; A37-E96 PolarHBondContact O-N 3.31Å
38Y97.7Very high89Confident56 Ų5666.9 Ų66.922%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-96.5119.8168.9-66.6-83.3000109.3R8 V9 L10 L11 F36 E96 V98R8-Y38 HydrophobicContact CB-CE2 4.38Å; R8-Y38 HydrophobicContact CG-CE2 4.37Å; V9-Y38 PolarHBondContact O-N 3.25Å; L10-Y38 CarbonylContact C-O 3.58Å; L10-Y38 WeakPolarHBondContact CA-O 3.46Å; L11-Y38 PolarHBondContact N-O 2.89Å; F36-Y38 HydrophobicContact CD1-CD1 4.5Å; F36-Y38 AromaticContact CD1-CD2 3.96Å; F36-Y38 HydrophobicContact CD1-CD2 3.96Å; F36-Y38 HydrophobicContact CD1-CE1 4.08Å; F36-Y38 AromaticContact CD1-CE2 3.47Å; F36-Y38 HydrophobicContact CD1-CE2 3.47Å; F36-Y38 VanDerWaalsContact CD1-CE2 3.47Å; F36-Y38 HydrophobicContact CD1-CG 4.44Å; F36-Y38 AromaticContact CD1-CZ 3.54Å; F36-Y38 HydrophobicContact CE1-CD1 4.03Å; F36-Y38 HydrophobicContact CE1-CD2 4.3Å; F36-Y38 AromaticContact CE1-CE1 3.51Å; F36-Y38 HydrophobicContact CE1-CE1 3.51Å; F36-Y38 AromaticContact CE1-CE2 3.82Å; F36-Y38 HydrophobicContact CE1-CE2 3.82Å; F36-Y38 HydrophobicContact CE1-CG 4.4Å; F36-Y38 AromaticContact CE1-CZ 3.38Å; F36-Y38 HydrophobicContact CZ-CE1 4.48Å; Y38-E96 WeakPolarHBondContact CA-O 3.41Å; Y38-E96 HydrophobicContact CD1-CB 4.1Å; Y38-E96 HydrophobicContact CE1-CB 4.26Å; Y38-E96 WeakPolarHBondContact CE1-OE2 3.29Å; Y38-V98 HydrophobicContact CD1-CG2 4.05Å
39F97.5Very high87.1Confident0 Ų073.3 Ų73.30%036%0.36CS..EExtended strand (participates in β ladder)trans-98.7108.3173.5-67.1-73.1000109L11 I13 V23 A37 L84 L88 M95 E96 Y97 V98L11-F39 HydrophobicContact CB-CD1 3.81Å; L11-F39 HydrophobicContact CB-CE1 4.04Å; L11-F39 HydrophobicContact CD1-CD1 4.22Å; L11-F39 HydrophobicContact CD1-CE1 3.75Å; L11-F39 HydrophobicContact CD1-CZ 4.3Å; L11-F39 HydrophobicContact CG-CE1 4.36Å; L11-F39 WeakPolarHBondContact O-CA 3.39Å; I13-F39 HydrophobicContact CD1-CD1 3.75Å; I13-F39 HydrophobicContact CD1-CE1 4.44Å; I13-F39 HydrophobicContact CG1-CB 3.86Å; I13-F39 HydrophobicContact CG1-CD1 3.87Å; I13-F39 HydrophobicContact CG1-CG 4.33Å; V23-F39 HydrophobicContact CB-CE1 4.49Å; V23-F39 HydrophobicContact CG1-CE1 3.94Å; V23-F39 HydrophobicContact CG1-CZ 4.36Å; V23-F39 HydrophobicContact CG2-CD1 4.25Å; V23-F39 HydrophobicContact CG2-CE1 3.87Å; A37-F39 HydrophobicContact CB-CE2 4Å; A37-F39 HydrophobicContact CB-CZ 4.21Å; F39-L84 HydrophobicContact CB-CD2 3.45Å; F39-L84 VanDerWaalsContact CB-CD2 3.45Å; F39-L84 HydrophobicContact CD1-CD2 3.98Å; F39-L84 HydrophobicContact CD2-CD2 3.86Å; F39-L84 HydrophobicContact CG-CD2 3.49Å; F39-L84 VanDerWaalsContact CG-CD2 3.49Å; F39-L88 HydrophobicContact CD2-CD1 4.45Å; F39-L88 HydrophobicContact CE1-CD1 4.37Å; F39-L88 HydrophobicContact CE2-CD1 3.61Å; F39-L88 HydrophobicContact CZ-CD1 3.54Å; F39-M95 HydrophobicContact CD2-CB 4.02Å; F39-M95 HydrophobicContact CD2-SD 4.01Å; F39-M95 HydrophobicContact CE2-CB 3.71Å; F39-M95 HydrophobicContact CE2-CG 4.28Å; F39-M95 HydrophobicContact CE2-SD 3.55Å; F39-M95 VanDerWaalsContact CE2-SD 3.55Å; F39-E96 PolarHBondContact N-O 3.34Å; F39-Y97 HydrophobicContact CB-CD2 4.17Å; F39-Y97 WeakPolarHBondContact O-CA 3.41Å; F39-Y97 WeakPolarHBondContact O-CD2 3.35Å; F39-V98 PolarHBondContact O-N 2.79Å
40F97.4Very high84.9Confident50 Ų5071 Ų7122%0.21936%0.358CS..EExtended strand (participates in β ladder)trans-108.2117.5-165.4-175.2-109.3000111.5L10 L11 P12 I13 V42 V98 Q100L10-F40 HydrophobicContact CD1-CB 3.65Å; L10-F40 HydrophobicContact CD1-CG 4.3Å; L10-F40 HydrophobicContact CG-CB 4.42Å; L11-F40 PolarHBondContact O-N 2.84Å; P12-F40 WeakPolarHBondContact CA-O 3.36Å; I13-F40 PolarHBondContact N-O 2.66Å; F40-V42 HydrophobicContact CD1-CG2 3.81Å; F40-V42 HydrophobicContact CE1-CG2 3.15Å; F40-V42 HydrophobicContact CZ-CG2 3.72Å; F40-V98 WeakPolarHBondContact CA-O 3.28Å; F40-V98 HydrophobicContact CD2-CB 4.07Å; F40-V98 HydrophobicContact CD2-CG1 3.91Å; F40-V98 HydrophobicContact CE2-CG1 4.11Å; F40-Q100 HydrophobicContact CE2-CB 3.69Å; F40-Q100 HydrophobicContact CZ-CB 3.64Å; F40-Q100 HydrophobicContact CZ-CG 4.44Å; F40-Q100 VanDerWaalsContact CZ-OE1 3.28Å
41H96.8Very high82.6Confident22 Ų2271.4 Ų71.410%0.10237%0.369CS..EExtended strand (participates in β ladder)trans-111.8133.9176.4-175.560.2000110.5I13 Y97 V98 M99 Q100I13-H41 WeakPolarHBondContact O-CA 3.36Å; I13-H41 PolarHBondContact O-ND1 3.29Å; H41-Y97 HydrophobicContact CB-CE2 3.69Å; H41-Y97 WeakPolarHBondContact CB-OH 3.37Å; H41-Y97 PolarHBondContact CD2-OH 3.15Å; H41-V98 PolarHBondContact N-O 3.33Å; H41-M99 CarbonylContact O-C 3.45Å; H41-M99 WeakPolarHBondContact O-CA 3.18Å; H41-Q100 PolarHBondContact O-N 2.83Å
42V93.4Very high80.4Confident58 Ų5874 Ų7435%0.35239%0.394SS..EExtended strand (participates in β ladder)trans-111.4122.8179179.80000109.2F40 E44 Q100F40-V42 HydrophobicContact CD1-CG2 3.81Å; F40-V42 HydrophobicContact CE1-CG2 3.15Å; F40-V42 HydrophobicContact CZ-CG2 3.72Å; V42-E44 HydrophobicContact CG1-CB 4.43Å; V42-E44 HydrophobicContact CG1-CG 3.64Å; V42-Q100 WeakPolarHBondContact CA-O 3.35Å
43V91.3Very high78.2Confident2 Ų274.3 Ų74.31%0.01241%0.406CS..EExtended strand (participates in β ladder)trans-101.2104.7169.5177.40000107.4M99 Q100 I101 G102V43-M99 HydrophobicContact CG2-CG 4.05Å; V43-M99 HydrophobicContact CG2-SD 3.89Å; V43-Q100 PolarHBondContact N-O 2.82Å; V43-I101 HydrophobicContact CB-CG1 4.19Å; V43-I101 HydrophobicContact CB-CG2 4.44Å; V43-I101 HydrophobicContact CG1-CG2 4.33Å; V43-G102 PolarHBondContact O-N 2.8Å
44E82.3Confident76.1Confident117 Ų11775.3 Ų75.355%0.54740%0.399SS..EExtended strand (participates in β ladder)trans-107.9146.7177.5-91.1173.9-17600111.4V42 H46V42-E44 HydrophobicContact CG1-CB 4.43Å; V42-E44 HydrophobicContact CG1-CG 3.64Å; E44-H46 PolarHBondContact O-N 3.33Å
45A75.3Confident74.1Confident12 Ų1276 Ų7610%0.09941%0.41CS..  trans-76.2122.5177.100000110.5Y47 L66 I70 G102A45-Y47 HydrophobicContact CB-CE2 4.12Å; A45-Y47 WeakPolarHBondContact O-CD2 3.34Å; A45-Y47 PolarHBondContact O-N 3.18Å; A45-L66 HydrophobicContact CB-CD1 3.43Å; A45-L66 VanDerWaalsContact CB-CD1 3.43Å; A45-L66 HydrophobicContact CB-CD2 4.3Å; A45-L66 HydrophobicContact CB-CG 3.83Å; A45-I70 HydrophobicContact CB-CD1 3.84Å; A45-I70 HydrophobicContact CB-CG1 3.91Å; A45-G102 PolarHBondContact N-O 3.21Å
46H68.8Low72.3Confident120 Ų12087.9 Ų87.956%0.55646%0.457SS*.  trans-79.1102.9173.9-70.8-86.8000110.3E44 S48 Y73E44-H46 PolarHBondContact O-N 3.33Å; H46-S48 PolarHBondContact O-N 3.45Å; H46-S48 VanDerWaalsContact O-N 3.17Å; H46-Y73 AromaticContact CD2-CE2 3.65Å
47Y66.4Low70.4Confident125 Ų12592 Ų9249%0.4948%0.48SS..  trans-79.990.8168.8-59.2-83.2000109A45 K49 L66 N103 P105A45-Y47 HydrophobicContact CB-CE2 4.12Å; A45-Y47 WeakPolarHBondContact O-CD2 3.34Å; A45-Y47 PolarHBondContact O-N 3.18Å; Y47-K49 PolarHBondContact O-N 2.92Å; Y47-K49 VanDerWaalsContact O-N 3.15Å; Y47-L66 HydrophobicContact CD1-CD1 3.89Å; Y47-L66 HydrophobicContact CE1-CD1 3.58Å; Y47-L66 HydrophobicContact CE1-CD2 4.04Å; Y47-L66 HydrophobicContact CE1-CG 4.49Å; Y47-N103 PolarHBondContact OH-O 3.29Å; Y47-P105 HydrophobicContact CE2-CG 4.07Å
48S59.3Low68.4Low89 Ų8996.6 Ų96.662%0.62250%0.502SS*.  trans-63.9118.1165.859.50000107.9H46 S50H46-S48 PolarHBondContact O-N 3.45Å; H46-S48 VanDerWaalsContact O-N 3.17Å; S48-S50 PolarHBondContact O-N 3.49Å
49K55.2Low66.5Low214 Ų21495.9 Ų95.993%0.9351%0.512SS*.  trans-69.959.2163.8-67.9-177.1180179.40109.2Y47 T51Y47-K49 PolarHBondContact O-N 2.92Å; Y47-K49 VanDerWaalsContact O-N 3.15Å; K49-T51 PolarHBondContact O-N 3.12Å
50S49.5Very low64.7Low86 Ų86103.7 Ų103.760%0.60155%0.546SS*.  trans-77.797.6172.1-162.30000107S48S48-S50 PolarHBondContact O-N 3.49Å
51T46.5Very low62.9Low107 Ų107106.1 Ų106.166%0.65656%0.558SS**  trans48.882.9156.552.60000115.7K49 N53K49-T51 PolarHBondContact O-N 3.12Å; T51-N53 PolarHBondContact O-N 3.4Å
52A49.4Very low61.3Low106 Ų106109.6 Ų109.688%0.87658%0.576SS**SBendtrans-62.815.5172.100000115.5
53N47.3Very low60.1Low142 Ų142111.6 Ų111.676%0.75959%0.585SS**  trans-116.734.8-174.6-75.87.5000113.3T51T51-N53 PolarHBondContact O-N 3.4Å
54E45.1Very low59Low155 Ų155114.6 Ų114.672%0.72460%0.603SS**SBendtrans-157105.4168.6-103.1143.1-124.900111.9
55S51.3Low58.6Low98 Ų98112.8 Ų112.869%0.68560%0.597SS**  trans74.8132.6146.8-490000120.1D57S55-D57 PolarHBondContact O-N 3.02Å
56Y56.7Low58.7Low248 Ų248113.3 Ų113.397%0.97360%0.599SS**THydrogen-bonded Turntrans-61.2-7.8-171.4-92.5-101.8000116.9
57D55.4Low59.2Low124 Ų124112.6 Ų112.666%0.66360%0.599SS**THydrogen-bonded Turntrans-92.1-10-173.4-148.48.2000113.8S55 G59S55-D57 PolarHBondContact O-N 3.02Å; D57-G59 VanDerWaalsContact C-N 3.32Å; D57-G59 PolarHBondContact O-N 3.32Å
58H54.5Low59.9Low98 Ų98113.1 Ų113.145%0.45460%0.604SS.*Hα-helixtrans-75.9-12.1-176.7-82.124.7000114.9K60 E61 L62H58-K60 VanDerWaalsContact C-N 3.28Å; H58-K60 PolarHBondContact O-N 3.38Å; H58-E61 IonicContact CE1-OE2 3.31Å; H58-E61 PolarHBondContact CE1-OE2 2.83Å; H58-E61 VanDerWaalsContact CE1-OE2 3.31Å; H58-E61 IonicContact CG-OE2 3.94Å; H58-E61 IonicContact ND1-OE2 3.34Å; H58-E61 PolarHBondContact ND1-OE2 2.63Å; H58-E61 IonicContact NE2-OE2 3.89Å; H58-E61 PolarHBondContact O-N 3.37Å; H58-L62 HydrophobicContact CB-CD1 4.42Å; H58-L62 HydrophobicContact CB-CG 4.48Å; H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.37Å; H58-L62 WeakPolarHBondContact O-CG 3.48Å; H58-L62 PolarHBondContact O-N 3.35Å
59G57Low61.1Low41 Ų41111.4 Ų111.442%0.42359%0.587SS.*Hα-helixtrans-59-38.918000000113.1D57 N63D57-G59 VanDerWaalsContact C-N 3.32Å; D57-G59 PolarHBondContact O-N 3.32Å; G59-N63 PolarHBondContact O-N 2.77Å; G59-N63 PolarHBondContact O-ND2 3.09Å; G59-N63 VanDerWaalsContact O-ND2 3.16Å
60K59.8Low62.6Low164 Ų164102.4 Ų102.471%0.71355%0.549SS*.Hα-helixtrans-72.3-44.9175-72.9-177.7-179.3174.30111.6H58 L62 N63 T64H58-K60 VanDerWaalsContact C-N 3.28Å; H58-K60 PolarHBondContact O-N 3.38Å; K60-L62 PolarHBondContact O-N 3.11Å; K60-N63 PolarHBondContact O-N 2.85Å; K60-T64 WeakPolarHBondContact O-CG2 3.5Å; K60-T64 PolarHBondContact O-N 2.8Å; K60-T64 PolarHBondContact O-OG1 3.06Å
61E59.9Low64.5Low101 Ų101106 Ų10647%0.47255%0.554SS.*Hα-helixtrans-61.3-44.1179.3-67.9-171.8155.300111.8H58 N63 T64 N65H58-E61 IonicContact CE1-OE2 3.31Å; H58-E61 PolarHBondContact CE1-OE2 2.83Å; H58-E61 VanDerWaalsContact CE1-OE2 3.31Å; H58-E61 IonicContact CG-OE2 3.94Å; H58-E61 IonicContact ND1-OE2 3.34Å; H58-E61 PolarHBondContact ND1-OE2 2.63Å; H58-E61 IonicContact NE2-OE2 3.89Å; H58-E61 PolarHBondContact O-N 3.37Å; E61-N63 PolarHBondContact O-N 2.94Å; E61-T64 WeakPolarHBondContact CA-OG1 3.38Å; E61-T64 PolarHBondContact O-N 3.48Å; E61-T64 PolarHBondContact O-OG1 3.48Å; E61-N65 WeakPolarHBondContact O-CB 3.37Å; E61-N65 VanDerWaalsContact O-CG 3.3Å; E61-N65 PolarHBondContact O-N 3.38Å; E61-N65 PolarHBondContact O-ND2 3.04Å
62L63.3Low66.6Low94 Ų94105.2 Ų105.249%0.49254%0.544SS..Hα-helixtrans-56.8-46.3175-73.2170.3000111.7H58 K60 N65 L66H58-L62 HydrophobicContact CB-CD1 4.42Å; H58-L62 HydrophobicContact CB-CG 4.48Å; H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.37Å; H58-L62 WeakPolarHBondContact O-CG 3.48Å; H58-L62 PolarHBondContact O-N 3.35Å; K60-L62 PolarHBondContact O-N 3.11Å; L62-N65 PolarHBondContact O-N 2.86Å; L62-L66 WeakPolarHBondContact O-CB 3.45Å; L62-L66 PolarHBondContact O-N 3.09Å
63N67.1Low68.6Low100 Ų100104.1 Ų104.154%0.53552%0.518SS..Hα-helixtrans-65-44.5176.9-72.6-27.3000111.9G59 K60 E61 N65 L66 D67G59-N63 PolarHBondContact O-N 2.77Å; G59-N63 PolarHBondContact O-ND2 3.09Å; G59-N63 VanDerWaalsContact O-ND2 3.16Å; K60-N63 PolarHBondContact O-N 2.85Å; E61-N63 PolarHBondContact O-N 2.94Å; N63-N65 VanDerWaalsContact C-N 3.28Å; N63-N65 PolarHBondContact O-N 2.68Å; N63-L66 VanDerWaalsContact O-CB 3.29Å; N63-L66 WeakPolarHBondContact O-CB 3.35Å; N63-L66 PolarHBondContact O-N 3.2Å; N63-L66 VanDerWaalsContact O-N 3.14Å; N63-D67 PolarHBondContact O-N 3.28Å
64T69.8Low70.7Confident65 Ų6598.1 Ų98.140%0.39949%0.487SS..Hα-helixtrans-63.6-35.5178.261.80000112.5K60 E61 K68K60-T64 WeakPolarHBondContact O-CG2 3.5Å; K60-T64 PolarHBondContact O-N 2.8Å; K60-T64 PolarHBondContact O-OG1 3.06Å; E61-T64 WeakPolarHBondContact CA-OG1 3.38Å; E61-T64 PolarHBondContact O-N 3.48Å; E61-T64 PolarHBondContact O-OG1 3.48Å; T64-K68 WeakPolarHBondContact O-CB 3.44Å; T64-K68 WeakPolarHBondContact O-CG 3.49Å; T64-K68 PolarHBondContact O-N 2.95Å
65N73.2Confident73.1Confident79 Ų7995.2 Ų95.242%0.42247%0.473SS..Hα-helixtrans-70.7-37.3175.3-72.3-28.6000111.2E61 L62 N63 K68 N69E61-N65 WeakPolarHBondContact O-CB 3.37Å; E61-N65 VanDerWaalsContact O-CG 3.3Å; E61-N65 PolarHBondContact O-N 3.38Å; E61-N65 PolarHBondContact O-ND2 3.04Å; L62-N65 PolarHBondContact O-N 2.86Å; N63-N65 VanDerWaalsContact C-N 3.28Å; N63-N65 PolarHBondContact O-N 2.68Å; N65-K68 PolarHBondContact O-N 3.19Å; N65-N69 WeakPolarHBondContact O-CB 3.47Å; N65-N69 PolarHBondContact O-N 3.1Å; N65-N69 PolarHBondContact O-ND2 3.2Å; N65-N69 VanDerWaalsContact O-ND2 3.15Å
66L77Confident75.1Confident24 Ų2494.9 Ų94.913%0.12646%0.463CS..Hα-helixtrans-59.3-50.1173.4-159.680000111.3A45 Y47 L62 N63 K68 N69 I70A45-L66 HydrophobicContact CB-CD1 3.43Å; A45-L66 VanDerWaalsContact CB-CD1 3.43Å; A45-L66 HydrophobicContact CB-CD2 4.3Å; A45-L66 HydrophobicContact CB-CG 3.83Å; Y47-L66 HydrophobicContact CD1-CD1 3.89Å; Y47-L66 HydrophobicContact CE1-CD1 3.58Å; Y47-L66 HydrophobicContact CE1-CD2 4.04Å; Y47-L66 HydrophobicContact CE1-CG 4.49Å; L62-L66 WeakPolarHBondContact O-CB 3.45Å; L62-L66 PolarHBondContact O-N 3.09Å; N63-L66 VanDerWaalsContact O-CB 3.29Å; N63-L66 WeakPolarHBondContact O-CB 3.35Å; N63-L66 PolarHBondContact O-N 3.2Å; N63-L66 VanDerWaalsContact O-N 3.14Å; L66-K68 PolarHBondContact O-N 2.94Å; L66-N69 PolarHBondContact O-N 2.6Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 4.21Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 3.37Å
67D79.6Confident77Confident104 Ų10483.1 Ų83.156%0.55642%0.417SS*.Hα-helixtrans-63.1-42.2-179.4-68.6-23.1000111.5N63 K71N63-D67 PolarHBondContact O-N 3.28Å; D67-K71 WeakPolarHBondContact O-CB 3.35Å; D67-K71 PolarHBondContact O-N 3.27Å
68K81.6Confident78.9Confident136 Ų13681.6 Ų81.659%0.59141%0.405SS*.Hα-helixtrans-61.2-45.3174.9-75.5171.9-174.9173.60111.6T64 N65 L66 K71 M72T64-K68 WeakPolarHBondContact O-CB 3.44Å; T64-K68 WeakPolarHBondContact O-CG 3.49Å; T64-K68 PolarHBondContact O-N 2.95Å; N65-K68 PolarHBondContact O-N 3.19Å; L66-K68 PolarHBondContact O-N 2.94Å; K68-K71 PolarHBondContact O-N 3.49Å; K68-M72 WeakPolarHBondContact O-CB 3.37Å; K68-M72 PolarHBondContact O-N 3.21Å
69N83.3Confident81Confident53 Ų5381.6 Ų81.628%0.28341%0.407SS..Hα-helixtrans-63.8-48.5178.9-74.8-27.2000111.2N65 L66 K71 M72 Y73N65-N69 WeakPolarHBondContact O-CB 3.47Å; N65-N69 PolarHBondContact O-N 3.1Å; N65-N69 PolarHBondContact O-ND2 3.2Å; N65-N69 VanDerWaalsContact O-ND2 3.15Å; L66-N69 PolarHBondContact O-N 2.6Å; N69-K71 VanDerWaalsContact C-N 3.29Å; N69-K71 PolarHBondContact O-N 3.38Å; N69-M72 PolarHBondContact O-N 3.29Å; N69-Y73 HydrophobicContact CB-CD2 4.32Å; N69-Y73 HydrophobicContact CB-CE2 4.24Å; N69-Y73 WeakPolarHBondContact O-CD2 3.5Å; N69-Y73 PolarHBondContact O-N 3.4Å
70I87.8Confident82.8Confident25 Ų2581.2 Ų81.213%0.12840%0.395CS..Hα-helixtrans-58-44.2177.1-69.7169.7000110.5A45 L66 Y73 S74 I101 N103A45-I70 HydrophobicContact CB-CD1 3.84Å; A45-I70 HydrophobicContact CB-CG1 3.91Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 4.21Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 3.37Å; I70-Y73 PolarHBondContact O-N 3.46Å; I70-S74 WeakPolarHBondContact O-CB 3.45Å; I70-S74 PolarHBondContact O-N 3.17Å; I70-I101 HydrophobicContact CG2-CG2 3.48Å; I70-I101 VanDerWaalsContact CG2-CG2 3.48Å; I70-N103 HydrophobicContact CD1-CB 4.23Å
71K88.9Confident84.6Confident163 Ų16373.5 Ų73.571%0.70936%0.362SS*.Hα-helixtrans-61.5-46177.9-174.8178.5-179.9-178.70111.8D67 K68 N69 S74 E75D67-K71 WeakPolarHBondContact O-CB 3.35Å; D67-K71 PolarHBondContact O-N 3.27Å; K68-K71 PolarHBondContact O-N 3.49Å; N69-K71 VanDerWaalsContact C-N 3.29Å; N69-K71 PolarHBondContact O-N 3.38Å; K71-S74 PolarHBondContact O-N 3.45Å; K71-E75 PolarHBondContact O-N 2.82Å
72M89.8Confident86.3Confident90 Ų9073.7 Ų73.744%0.44337%0.366SS..Hα-helixtrans-61.4-50.1178.3-178.5-176.373.300111.4K68 N69 S74 E75 L76K68-M72 WeakPolarHBondContact O-CB 3.37Å; K68-M72 PolarHBondContact O-N 3.21Å; N69-M72 PolarHBondContact O-N 3.29Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.62Å; M72-E75 PolarHBondContact O-N 3.03Å; M72-E75 VanDerWaalsContact O-N 3.17Å; M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 2.94Å
73Y91.5Very high87.9Confident83 Ų8374.3 Ų74.333%0.32537%0.365SS..Hα-helixtrans-68.8-31.6-180-70.8-61.5000112.7H46 N69 I70 E75 L76 G77H46-Y73 AromaticContact CD2-CE2 3.65Å; N69-Y73 HydrophobicContact CB-CD2 4.32Å; N69-Y73 HydrophobicContact CB-CE2 4.24Å; N69-Y73 WeakPolarHBondContact O-CD2 3.5Å; N69-Y73 PolarHBondContact O-N 3.4Å; I70-Y73 PolarHBondContact O-N 3.46Å; Y73-E75 VanDerWaalsContact C-N 3.31Å; Y73-E75 PolarHBondContact O-N 3.48Å; Y73-L76 HydrophobicContact CD1-CD1 4.03Å; Y73-L76 HydrophobicContact CE1-CD1 4.41Å; Y73-L76 PolarHBondContact O-N 2.84Å; Y73-G77 PolarHBondContact O-N 2.95Å
74S92.6Very high89.2Confident15 Ų1570.3 Ų70.311%0.10534%0.344CS..Hα-helixtrans-62.9-38.8171176.50000111.8I70 K71 M72 G77 K78 I101I70-S74 WeakPolarHBondContact O-CB 3.45Å; I70-S74 PolarHBondContact O-N 3.17Å; K71-S74 PolarHBondContact O-N 3.45Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.62Å; S74-G77 PolarHBondContact O-N 3.42Å; S74-K78 WeakPolarHBondContact O-CG 3.34Å; S74-K78 PolarHBondContact O-N 3.38Å; S74-I101 WeakPolarHBondContact OG-CD1 3.4Å
75E94.7Very high90.3Very high94 Ų9471.3 Ų71.344%0.43934%0.344SS..Hα-helixtrans-68.9-42.9176.8-163.860.1-155.800111.7K71 M72 Y73 G77 K78 I79K71-E75 PolarHBondContact O-N 2.82Å; M72-E75 PolarHBondContact O-N 3.03Å; M72-E75 VanDerWaalsContact O-N 3.17Å; Y73-E75 VanDerWaalsContact C-N 3.31Å; Y73-E75 PolarHBondContact O-N 3.48Å; E75-G77 VanDerWaalsContact C-N 3.25Å; E75-G77 PolarHBondContact O-N 2.89Å; E75-K78 PolarHBondContact O-N 3.2Å; E75-K78 VanDerWaalsContact O-N 3.11Å; E75-K78 IonicContact OE2-NZ 3.24Å; E75-K78 PolarHBondContact OE2-NZ 2.92Å; E75-I79 WeakPolarHBondContact O-CG1 3.36Å; E75-I79 PolarHBondContact O-N 3.06Å; E75-I79 VanDerWaalsContact O-N 3.09Å
76L93.5Very high91.3Very high92 Ų9273 Ų7348%0.48235%0.352SS..Hα-helixtrans-59.5-39172.2-67.4175000111.8M72 Y73 K78 I79 L80M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 2.94Å; Y73-L76 HydrophobicContact CD1-CD1 4.03Å; Y73-L76 HydrophobicContact CE1-CD1 4.41Å; Y73-L76 PolarHBondContact O-N 2.84Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.36Å; L76-I79 PolarHBondContact O-N 3.47Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 3.46Å
77G95.7Very high92Very high0 Ų077 Ų770%037%0.374CS..Hα-helixtrans-62.7-36.1174.400000113.1Y73 S74 E75 G81 Y97Y73-G77 PolarHBondContact O-N 2.95Å; S74-G77 PolarHBondContact O-N 3.42Å; E75-G77 VanDerWaalsContact C-N 3.25Å; E75-G77 PolarHBondContact O-N 2.89Å; G77-G81 PolarHBondContact O-N 2.89Å; G77-Y97 PolarHBondContact O-OH 2.85Å
78K97Very high92.5Very high92 Ų9273 Ų7340%0.435%0.352SS..Hα-helixtrans-67.4-47.9173.9-67.1174.1-159.1159.90111.6S74 E75 L76 L80 G81 D82 M99S74-K78 WeakPolarHBondContact O-CG 3.34Å; S74-K78 PolarHBondContact O-N 3.38Å; E75-K78 PolarHBondContact O-N 3.2Å; E75-K78 VanDerWaalsContact O-N 3.11Å; E75-K78 IonicContact OE2-NZ 3.24Å; E75-K78 PolarHBondContact OE2-NZ 2.92Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.36Å; K78-L80 PolarHBondContact O-N 3.23Å; K78-G81 WeakPolarHBondContact O-CA 3.47Å; K78-G81 PolarHBondContact O-N 3.44Å; K78-D82 PolarHBondContact O-N 2.83Å; K78-M99 HydrophobicContact CG-CE 4.04Å
79I96.9Very high92.9Very high98 Ų9874.1 Ų74.150%0.50336%0.357SS..Hα-helixtrans-57.1-39.6177.5-65166.7000110.6E75 L76 K83E75-I79 WeakPolarHBondContact O-CG1 3.36Å; E75-I79 PolarHBondContact O-N 3.06Å; E75-I79 VanDerWaalsContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.47Å; I79-K83 WeakPolarHBondContact O-CB 3.18Å; I79-K83 PolarHBondContact O-N 3.2Å
80L96.4Very high93.1Very high34 Ų3478.9 Ų78.918%0.17838%0.383CS..Hα-helixtrans-63.9-42.7175.3179.560.2000112.4I13 L76 K78 L84I13-L80 HydrophobicContact CG2-CD1 4.12Å; I13-L80 HydrophobicContact CG2-CD2 3.93Å; I13-L80 HydrophobicContact CG2-CG 4.06Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 3.46Å; K78-L80 PolarHBondContact O-N 3.23Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 2.93Å
81G96.4Very high93Very high2 Ų279.6 Ų79.62%0.02139%0.39CS..Hα-helixtrans-63.7-45.3175.600000112.8G77 K78 L84 H85G77-G81 PolarHBondContact O-N 2.89Å; K78-G81 WeakPolarHBondContact O-CA 3.47Å; K78-G81 PolarHBondContact O-N 3.44Å; G81-L84 WeakPolarHBondContact O-CB 3.37Å; G81-L84 PolarHBondContact O-N 2.69Å; G81-H85 PolarHBondContact O-CD2 2.81Å; G81-H85 PolarHBondContact O-N 3.2Å
82D96.6Very high92.9Very high104 Ų10479.8 Ų79.856%0.55640%0.399SS*.Hα-helixtrans-60.9-47.6177.3-68.1-20.9000110.9K78 L84 H85 D86K78-D82 PolarHBondContact O-N 2.83Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.33Å; D82-H85 WeakPolarHBondContact O-CB 3.33Å; D82-H85 PolarHBondContact O-N 3.15Å; D82-H85 VanDerWaalsContact O-N 3.16Å; D82-D86 PolarHBondContact O-N 2.88Å
83K95.5Very high92.9Very high108 Ų10876.6 Ų76.647%0.4738%0.383SS..Hα-helixtrans-59.5-43.9176.1-179.9176.4177.1175.60111.9I79 H85 D86 D87I79-K83 WeakPolarHBondContact O-CB 3.18Å; I79-K83 PolarHBondContact O-N 3.2Å; K83-H85 VanDerWaalsContact C-N 3.3Å; K83-H85 PolarHBondContact O-N 3.44Å; K83-D86 PolarHBondContact O-N 3.35Å; K83-D87 WeakPolarHBondContact CE-OD2 3.49Å; K83-D87 WeakPolarHBondContact O-CB 3.15Å; K83-D87 VanDerWaalsContact O-CG 3.22Å; K83-D87 PolarHBondContact O-N 3.23Å
84L94.7Very high92.9Very high16 Ų1678 Ų788%0.08439%0.393CS..Hα-helixtrans-61.3-41.3177.5-177.470.7000111.2I13 V23 F39 L80 G81 D82 D87 L88 Y97I13-L84 HydrophobicContact CG1-CD2 4.36Å; V23-L84 HydrophobicContact CG1-CD1 4.49Å; F39-L84 HydrophobicContact CB-CD2 3.45Å; F39-L84 VanDerWaalsContact CB-CD2 3.45Å; F39-L84 HydrophobicContact CD1-CD2 3.98Å; F39-L84 HydrophobicContact CD2-CD2 3.86Å; F39-L84 HydrophobicContact CG-CD2 3.49Å; F39-L84 VanDerWaalsContact CG-CD2 3.49Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 2.93Å; G81-L84 WeakPolarHBondContact O-CB 3.37Å; G81-L84 PolarHBondContact O-N 2.69Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.33Å; L84-D87 PolarHBondContact O-N 3.41Å; L84-L88 HydrophobicContact CD1-CD1 3.71Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.12Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.41Å; L84-L88 PolarHBondContact O-N 3.14Å; L84-Y97 HydrophobicContact CD2-CD2 4.16Å
85H93.8Very high93Very high86 Ų8679.1 Ų79.140%0.39840%0.397SS..Hα-helixtrans-61.9-43174.9-93-74.4000112.4G81 D82 K83 L88 K89 M95G81-H85 PolarHBondContact O-CD2 2.81Å; G81-H85 PolarHBondContact O-N 3.2Å; D82-H85 WeakPolarHBondContact O-CB 3.33Å; D82-H85 PolarHBondContact O-N 3.15Å; D82-H85 VanDerWaalsContact O-N 3.16Å; K83-H85 VanDerWaalsContact C-N 3.3Å; K83-H85 PolarHBondContact O-N 3.44Å; H85-L88 CarbonylContact O-C 3.54Å; H85-L88 PolarHBondContact O-N 2.92Å; H85-K89 PolarHBondContact O-N 3.17Å; H85-M95 HydrophobicContact CB-CE 4.37Å; H85-M95 WeakPolarHBondContact CE1-CE 3.46Å; H85-M95 WeakPolarHBondContact ND1-CE 3.36Å
86D94.2Very high93.1Very high113 Ų11379 Ų7960%0.60440%0.396SS*.Hα-helixtrans-64.8-45.9176.9-76.4-23.4000111.8D82 K83 L88 K89D82-D86 PolarHBondContact O-N 2.88Å; K83-D86 PolarHBondContact O-N 3.35Å; D86-L88 PolarHBondContact O-N 3.4Å; D86-K89 WeakPolarHBondContact O-CB 3.48Å; D86-K89 PolarHBondContact O-N 3.25Å
87D91.1Very high93.3Very high110 Ų11076.5 Ų76.559%0.58838%0.381SS*.Hα-helixtrans-61.4-32.8178.7-72-17.1000111.4K83 L84K83-D87 WeakPolarHBondContact CE-OD2 3.49Å; K83-D87 WeakPolarHBondContact O-CB 3.15Å; K83-D87 VanDerWaalsContact O-CG 3.22Å; K83-D87 PolarHBondContact O-N 3.23Å; L84-D87 PolarHBondContact O-N 3.41Å
88L91Very high93.3Very high18 Ų1878.7 Ų78.79%0.09439%0.394CS..Hα-helixtrans-101.63.9-176.4-59.4-174.3000114.4L27 F39 L84 H85 D86 N90 S91 M95L27-L88 HydrophobicContact CD1-CD2 3.3Å; F39-L88 HydrophobicContact CD2-CD1 4.45Å; F39-L88 HydrophobicContact CE1-CD1 4.37Å; F39-L88 HydrophobicContact CE2-CD1 3.61Å; F39-L88 HydrophobicContact CZ-CD1 3.54Å; L84-L88 HydrophobicContact CD1-CD1 3.71Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.12Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.41Å; L84-L88 PolarHBondContact O-N 3.14Å; H85-L88 CarbonylContact O-C 3.54Å; H85-L88 PolarHBondContact O-N 2.92Å; D86-L88 PolarHBondContact O-N 3.4Å; L88-N90 PolarHBondContact O-N 2.92Å; L88-N90 VanDerWaalsContact O-N 3.09Å; L88-S91 VanDerWaalsContact O-CB 3.31Å; L88-S91 WeakPolarHBondContact O-CB 3.19Å; L88-S91 PolarHBondContact O-N 3.26Å; L88-S91 PolarHBondContact O-OG 3.21Å; L88-M95 HydrophobicContact CB-CE 4.12Å; L88-M95 HydrophobicContact CB-SD 3.78Å; L88-M95 HydrophobicContact CD1-CE 4.2Å; L88-M95 HydrophobicContact CD1-SD 3.49Å; L88-M95 WeakPolarHBondContact CD1-SD 3.34Å; L88-M95 HydrophobicContact CG-SD 4.28Å
89K89Confident93.2Very high160 Ų16076.9 Ų76.970%0.69639%0.388SS*.THydrogen-bonded Turntrans-56.8-31.4-176.5-171.7173.8-177.9173.70114.1H85 D86H85-K89 PolarHBondContact O-N 3.17Å; D86-K89 WeakPolarHBondContact O-CB 3.48Å; D86-K89 PolarHBondContact O-N 3.25Å
90N87.9Confident93.1Very high154 Ų15477.4 Ų77.482%0.82439%0.388SS*.THydrogen-bonded Turntrans-96.63.1179.5-60.3-37.6000113.1L88L88-N90 PolarHBondContact O-N 2.92Å; L88-N90 VanDerWaalsContact O-N 3.09Å
91S85.6Confident92.7Very high39 Ų3980 Ų8027%0.27340%0.401SS..  trans-79.5144.5173.6740000109.9L88 I93L88-S91 VanDerWaalsContact O-CB 3.31Å; L88-S91 WeakPolarHBondContact O-CB 3.19Å; L88-S91 PolarHBondContact O-N 3.26Å; L88-S91 PolarHBondContact O-OG 3.21Å; S91-I93 PolarHBondContact O-N 3.31Å; S91-I93 WeakPolarHBondContact OG-CG2 3.21Å
92N86.5Confident92Very high167 Ų16780.6 Ų80.689%0.89341%0.408SS*.  trans-84.716.5178.2-69.9-32.2000112.8
93I89.2Confident90.7Very high23 Ų2381 Ų8112%0.11841%0.41CS..  trans-93.3139.2-174.1-159171000111.1Y26 L27 D35 A37 S91 M95Y26-I93 HydrophobicContact CE1-CD1 3.42Å; Y26-I93 VanDerWaalsContact CE1-CD1 3.42Å; Y26-I93 VanDerWaalsContact OH-CD1 3.27Å; Y26-I93 WeakPolarHBondContact OH-CD1 3.44Å; L27-I93 HydrophobicContact CD2-CD1 4.16Å; L27-I93 HydrophobicContact CD2-CG2 4.2Å; D35-I93 HydrophobicContact CB-CD1 4.25Å; D35-I93 HydrophobicContact CB-CG1 4.38Å; A37-I93 HydrophobicContact CB-CD1 3.78Å; A37-I93 HydrophobicContact CB-CG1 4.4Å; S91-I93 PolarHBondContact O-N 3.31Å; S91-I93 WeakPolarHBondContact OG-CG2 3.21Å; I93-M95 HydrophobicContact CG2-CB 4.4Å
94Q93.1Very high89.2Confident114 Ų11484.1 Ų84.153%0.53342%0.423SS..EExtended strand (participates in β ladder)trans-77.5128.7167.4-65.4-171.5-30.200108.9F36 A37F36-Q94 WeakPolarHBondContact CA-O 3.43Å; F36-Q94 HydrophobicContact CD2-CB 3.89Å; F36-Q94 HydrophobicContact CE2-CB 4.34Å; A37-Q94 PolarHBondContact N-O 3.47Å
95M94.4Very high87.6Confident38 Ų3886.8 Ų86.819%0.18744%0.442CS..EExtended strand (participates in β ladder)trans-146.3157.6-175.566.7173.5-133.100114.3A37 F39 H85 L88 I93A37-M95 HydrophobicContact CB-CB 4.35Å; A37-M95 CarbonylContact O-C 3.59Å; A37-M95 WeakPolarHBondContact O-CA 3.06Å; A37-M95 WeakPolarHBondContact O-CB 3.34Å; F39-M95 HydrophobicContact CD2-CB 4.02Å; F39-M95 HydrophobicContact CD2-SD 4.01Å; F39-M95 HydrophobicContact CE2-CB 3.71Å; F39-M95 HydrophobicContact CE2-CG 4.28Å; F39-M95 HydrophobicContact CE2-SD 3.55Å; F39-M95 VanDerWaalsContact CE2-SD 3.55Å; H85-M95 HydrophobicContact CB-CE 4.37Å; H85-M95 WeakPolarHBondContact CE1-CE 3.46Å; H85-M95 WeakPolarHBondContact ND1-CE 3.36Å; L88-M95 HydrophobicContact CB-CE 4.12Å; L88-M95 HydrophobicContact CB-SD 3.78Å; L88-M95 HydrophobicContact CD1-CE 4.2Å; L88-M95 HydrophobicContact CD1-SD 3.49Å; L88-M95 WeakPolarHBondContact CD1-SD 3.34Å; L88-M95 HydrophobicContact CG-SD 4.28Å; I93-M95 HydrophobicContact CG2-CB 4.4Å
96E96Very high85.9Confident91 Ų9187.3 Ų87.343%0.42546%0.461SS..EExtended strand (participates in β ladder)trans-137.2131.7171.2-172.9177.2171.400109.4F36 A37 Y38 F39 V98F36-E96 HydrophobicContact CE1-CB 3.87Å; F36-E96 HydrophobicContact CZ-CB 4.04Å; A37-E96 PolarHBondContact O-N 3.31Å; Y38-E96 WeakPolarHBondContact CA-O 3.41Å; Y38-E96 HydrophobicContact CD1-CB 4.1Å; Y38-E96 HydrophobicContact CE1-CB 4.26Å; Y38-E96 WeakPolarHBondContact CE1-OE2 3.29Å; F39-E96 PolarHBondContact N-O 3.34Å; E96-V98 HydrophobicContact CG-CG2 3.97Å
97Y97.1Very high84Confident40 Ų4088.7 Ų88.716%0.15747%0.467CS..EExtended strand (participates in β ladder)trans-88.7124167.7176-107.9000109.7F39 H41 G77 L84 M99F39-Y97 HydrophobicContact CB-CD2 4.17Å; F39-Y97 WeakPolarHBondContact O-CA 3.41Å; F39-Y97 WeakPolarHBondContact O-CD2 3.35Å; H41-Y97 HydrophobicContact CB-CE2 3.69Å; H41-Y97 WeakPolarHBondContact CB-OH 3.37Å; H41-Y97 PolarHBondContact CD2-OH 3.15Å; G77-Y97 PolarHBondContact O-OH 2.85Å; L84-Y97 HydrophobicContact CD2-CD2 4.16Å; Y97-M99 HydrophobicContact CE1-CB 3.96Å
98V97Very high82.1Confident46 Ų4694.9 Ų94.928%0.27948%0.482SS..EExtended strand (participates in β ladder)trans-120.4118.6-179.2-179.50000108.9Y38 F39 F40 H41 E96Y38-V98 HydrophobicContact CD1-CG2 4.05Å; F39-V98 PolarHBondContact O-N 2.79Å; F40-V98 WeakPolarHBondContact CA-O 3.28Å; F40-V98 HydrophobicContact CD2-CB 4.07Å; F40-V98 HydrophobicContact CD2-CG1 3.91Å; F40-V98 HydrophobicContact CE2-CG1 4.11Å; H41-V98 PolarHBondContact N-O 3.33Å; E96-V98 HydrophobicContact CG-CG2 3.97Å
99M95.7Very high79.7Confident53 Ų53107 Ų10726%0.26153%0.534SS..EExtended strand (participates in β ladder)trans-105.3118173.7-176.7173.460.900110H41 V43 K78 Y97 I101H41-M99 CarbonylContact O-C 3.45Å; H41-M99 WeakPolarHBondContact O-CA 3.18Å; V43-M99 HydrophobicContact CG2-CG 4.05Å; V43-M99 HydrophobicContact CG2-SD 3.89Å; K78-M99 HydrophobicContact CG-CE 4.04Å; Y97-M99 HydrophobicContact CE1-CB 3.96Å; M99-I101 HydrophobicContact CE-CD1 4.29Å; M99-I101 HydrophobicContact CG-CG1 4.44Å
100Q93.4Very high79.3Confident109 Ų109104.3 Ų104.351%0.50953%0.526SS..EExtended strand (participates in β ladder)trans-100126171.9179.2170.1-20.300110.1F40 H41 V42 V43F40-Q100 HydrophobicContact CE2-CB 3.69Å; F40-Q100 HydrophobicContact CZ-CB 3.64Å; F40-Q100 HydrophobicContact CZ-CG 4.44Å; F40-Q100 VanDerWaalsContact CZ-OE1 3.28Å; H41-Q100 PolarHBondContact O-N 2.83Å; V42-Q100 WeakPolarHBondContact CA-O 3.35Å; V43-Q100 PolarHBondContact N-O 2.82Å
101I89.2Confident78.8Confident88 Ų88101.7 Ų101.745%0.45151%0.51SS..EExtended strand (participates in β ladder)trans-103.7115174.7-53.9175.2000108.2V43 I70 S74 M99V43-I101 HydrophobicContact CB-CG1 4.19Å; V43-I101 HydrophobicContact CB-CG2 4.44Å; V43-I101 HydrophobicContact CG1-CG2 4.33Å; I70-I101 HydrophobicContact CG2-CG2 3.48Å; I70-I101 VanDerWaalsContact CG2-CG2 3.48Å; S74-I101 WeakPolarHBondContact OG-CD1 3.4Å; M99-I101 HydrophobicContact CE-CD1 4.29Å; M99-I101 HydrophobicContact CG-CG1 4.44Å
102G80.4Confident78.4Confident16 Ų16105.2 Ų105.217%0.16552%0.523CS..EExtended strand (participates in β ladder)trans-115.6126-178.200000112.1V43 A45V43-G102 PolarHBondContact O-N 2.8Å; A45-G102 PolarHBondContact N-O 3.21Å
103N69.5Low78Confident111 Ų111101.5 Ų101.559%0.59450%0.501SS*.  trans-107.16.6169.269.5-10000112.6Y47 I70Y47-N103 PolarHBondContact OH-O 3.29Å; I70-N103 HydrophobicContact CD1-CB 4.23Å
104K65.1Low77.3Confident174 Ų174106.4 Ų106.476%0.75753%0.525SS*.SBendtrans-111.1118.4-174.9-151.8173.5-170.4172.20108.6A106K104-A106 PolarHBondContact O-N 3.07Å
105P60.1Low76.2Confident73 Ų73105.9 Ų105.947%0.47453%0.525SS..  trans-53.7135169.2-19.429.2000108.2Y47 I107Y47-P105 HydrophobicContact CE2-CG 4.07Å; P105-I107 HydrophobicContact CB-CG1 4.3Å; P105-I107 PolarHBondContact O-N 3.16Å
106A59.2Low74.9Confident97 Ų97110.8 Ų110.880%0.80255%0.549SS*.  trans-66.674.5174.900000110K104 R108K104-A106 PolarHBondContact O-N 3.07Å; A106-R108 PolarHBondContact O-N 3Å
107I53.3Low73.3Confident142 Ų142112.3 Ų112.373%0.72856%0.559SS**  trans-78.6101.6168.8-56.5175000105.3P105 K109P105-I107 HydrophobicContact CB-CG1 4.3Å; P105-I107 PolarHBondContact O-N 3.16Å; I107-K109 PolarHBondContact O-N 2.83Å
108R50.7Low71.3Confident239 Ų239118.3 Ų118.390%0.90259%0.592SS**  trans-59.4118.1162.9-74.7-173.1178.2-177.90107A106A106-R108 PolarHBondContact O-N 3Å
109K41.8Very low69Low272 Ų272124.9 Ų124.9100%1.18362%0.62SS**  trans-69.10160.4-78.7-171.1176.1-175.20109.4I107I107-K109 PolarHBondContact O-N 2.83Å

Retrieved 109 of 109 residues in 23.4 ms (Link to these results)

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