G4V6N0_SCHMA Loading...

Venom allergen-like (VAL) 13 protein

AlphaFold DB , UniProt , Accession G4V6N0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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
1M87.3Confident97.1Very high199 Ų19968.7 Ų68.798%0.9834%0.338SS*.  0147.20-177.2-175.7-69.200107.1Q37M1-Q37 VanDerWaalsContact O-CD 3.26Å; M1-Q37 WeakPolarHBondContact O-CG 3.47Å; M1-Q37 PolarHBondContact O-OE1 2.89Å
2V96.1Very high97.2Very high30 Ų3069.8 Ų69.818%0.18235%0.346CS..  trans-73130.4176.4174.90000108.9N7 A33 R34 Q37V2-N7 WeakPolarHBondContact CG1-ND2 3.1Å; V2-A33 HydrophobicContact CG1-CB 3.81Å; V2-A33 HydrophobicContact CG2-CB 4.37Å; V2-R34 HydrophobicContact CG2-CB 4.41Å; V2-R34 HydrophobicContact CG2-CG 3.76Å; V2-Q37 HydrophobicContact CG2-CB 4.13Å
3D97.8Very high97.3Very high67 Ų6766 Ų6636%0.35833%0.327SS..  trans-83.1116.3176.8-173.2-43.8000110.3Q5 L6 N7 I116D3-Q5 PolarHBondContact OD1-N 3.18Å; D3-L6 HydrophobicContact CB-CB 3.74Å; D3-L6 HydrophobicContact CB-CD2 4.38Å; D3-L6 WeakPolarHBondContact OD1-CB 3.33Å; D3-L6 PolarHBondContact OD1-N 2.94Å; D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.22Å; D3-I116 HydrophobicContact CB-CG2 3.76Å
4E97.7Very high97.5Very high165 Ų16561.3 Ų61.377%0.77130%0.303SS*.Hα-helixtrans-72.8-39.1-176.6-65.6-177.5171.300112.4N7 H8E4-N7 PolarHBondContact O-N 3.15Å; E4-H8 WeakPolarHBondContact O-CB 3.48Å; E4-H8 PolarHBondContact O-N 3.19Å
5Q98Very high97.5Very high115 Ų11559.7 Ų59.754%0.53730%0.296SS..Hα-helixtrans-67.1-41.9179.5-172.664.649.100110.7D3 N7 H8 D9D3-Q5 PolarHBondContact OD1-N 3.18Å; Q5-N7 VanDerWaalsContact C-N 3.3Å; Q5-N7 PolarHBondContact O-N 3.38Å; Q5-H8 PolarHBondContact O-N 2.77Å; Q5-D9 PolarHBondContact NE2-OD1 3.01Å; Q5-D9 PolarHBondContact NE2-OD2 3.47Å; Q5-D9 WeakPolarHBondContact O-CB 3.37Å; Q5-D9 VanDerWaalsContact O-CG 3.25Å; Q5-D9 PolarHBondContact O-N 2.86Å
6L98.4Very high97.6Very high7 Ų763.1 Ų63.14%0.03731%0.305CS..Hα-helixtrans-52.1-51.3172175.580.2000111D3 D9 A10 F114 I116 I127D3-L6 HydrophobicContact CB-CB 3.74Å; D3-L6 HydrophobicContact CB-CD2 4.38Å; D3-L6 WeakPolarHBondContact OD1-CB 3.33Å; D3-L6 PolarHBondContact OD1-N 2.94Å; L6-D9 PolarHBondContact O-N 3.42Å; L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.35Å; L6-F114 HydrophobicContact CD2-CB 3.89Å; L6-F114 HydrophobicContact CG-CB 4.26Å; L6-I116 HydrophobicContact CD1-CB 4.19Å; L6-I116 HydrophobicContact CD1-CD1 4.17Å; L6-I116 HydrophobicContact CD2-CB 3.68Å; L6-I116 HydrophobicContact CD2-CG2 3.77Å; L6-I116 HydrophobicContact CG-CB 4.49Å; L6-I127 HydrophobicContact CD1-CD1 3.79Å; L6-I127 HydrophobicContact CD1-CG1 4.28Å
7N98.6Very high97.6Very high5 Ų559.4 Ų59.43%0.02729%0.287CS..Hα-helixtrans-67.4-41.1-175.8-84.2-86.8000111.6V2 D3 E4 Q5 L11 Y28 F114V2-N7 WeakPolarHBondContact CG1-ND2 3.1Å; D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.22Å; E4-N7 PolarHBondContact O-N 3.15Å; Q5-N7 VanDerWaalsContact C-N 3.3Å; Q5-N7 PolarHBondContact O-N 3.38Å; N7-L11 WeakPolarHBondContact O-CB 3.19Å; N7-L11 PolarHBondContact O-N 2.94Å; N7-Y28 HydrophobicContact CB-CD2 4.17Å; N7-Y28 HydrophobicContact CB-CE2 3.87Å; N7-Y28 VanDerWaalsContact OD1-CE2 3.28Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.2Å; N7-F114 PolarHBondContact ND2-O 2.76Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.45Å; N7-F114 PolarHBondContact OD1-N 3.3Å; N7-F114 PolarHBondContact OD1-O 2.79Å
8H98.6Very high97.7Very high103 Ų10356.2 Ų56.248%0.47727%0.271SS..Hα-helixtrans-58-52.2173.6174.3-92.4000111.5E4 Q5 L11 N12E4-H8 WeakPolarHBondContact O-CB 3.48Å; E4-H8 PolarHBondContact O-N 3.19Å; Q5-H8 PolarHBondContact O-N 2.77Å; H8-L11 PolarHBondContact O-N 3.4Å; H8-N12 PolarHBondContact CE1-ND2 3.32Å; H8-N12 PolarHBondContact ND1-ND2 2.89Å; H8-N12 PolarHBondContact NE2-ND2 3.06Å; H8-N12 WeakPolarHBondContact O-CB 3.31Å; H8-N12 PolarHBondContact O-N 3.47Å; H8-N12 PolarHBondContact O-ND2 3.47Å
9D98.4Very high97.7Very high40 Ų4056.4 Ų56.421%0.21428%0.283CS..Hα-helixtrans-67.2-43.1-176.5-68.2-8000112.4Q5 L6 E13 A75Q5-D9 PolarHBondContact NE2-OD1 3.01Å; Q5-D9 PolarHBondContact NE2-OD2 3.47Å; Q5-D9 WeakPolarHBondContact O-CB 3.37Å; Q5-D9 VanDerWaalsContact O-CG 3.25Å; Q5-D9 PolarHBondContact O-N 2.86Å; L6-D9 PolarHBondContact O-N 3.42Å; D9-E13 WeakPolarHBondContact O-CB 3.29Å; D9-E13 PolarHBondContact O-N 3.03Å; D9-E13 VanDerWaalsContact O-N 3.1Å; D9-A75 HydrophobicContact CB-CB 4.27Å
10A98.7Very high97.7Very high1 Ų156.5 Ų56.51%0.00828%0.284CS..Hα-helixtrans-62.8-50.4176.700000110.6L6 N12 E13 H14 F114L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.35Å; A10-N12 PolarHBondContact O-N 3.34Å; A10-E13 PolarHBondContact O-N 2.94Å; A10-H14 WeakPolarHBondContact O-CB 3.43Å; A10-H14 PolarHBondContact O-N 3.33Å; A10-H14 PolarHBondContact O-ND1 2.8Å; A10-F114 HydrophobicContact CB-CD1 4.01Å; A10-F114 HydrophobicContact CB-CD2 3.55Å; A10-F114 HydrophobicContact CB-CE1 4.09Å; A10-F114 HydrophobicContact CB-CE2 3.63Å; A10-F114 HydrophobicContact CB-CG 3.76Å; A10-F114 HydrophobicContact CB-CZ 3.9Å
11L98.8Very high97.7Very high24 Ų2454 Ų5413%0.12627%0.272CS..Hα-helixtrans-63.8-42.1-177.1-168.574.5000112.2N7 H8 H14 N15 L26N7-L11 WeakPolarHBondContact O-CB 3.19Å; N7-L11 PolarHBondContact O-N 2.94Å; H8-L11 PolarHBondContact O-N 3.4Å; L11-H14 PolarHBondContact O-N 3.08Å; L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 VanDerWaalsContact O-CG 3.26Å; L11-N15 PolarHBondContact O-N 3.25Å; L11-N15 PolarHBondContact O-ND2 3.01Å; L11-L26 HydrophobicContact CD1-CB 3.8Å
12N98.6Very high98.2Very high81 Ų8146.7 Ų46.743%0.43325%0.247SC..Hα-helixtrans-62.6-45.1177.2-74.2-16.1000111.6H8 A10 N15 R16H8-N12 PolarHBondContact CE1-ND2 3.32Å; H8-N12 PolarHBondContact ND1-ND2 2.89Å; H8-N12 PolarHBondContact NE2-ND2 3.06Å; H8-N12 WeakPolarHBondContact O-CB 3.31Å; H8-N12 PolarHBondContact O-N 3.47Å; H8-N12 PolarHBondContact O-ND2 3.47Å; A10-N12 PolarHBondContact O-N 3.34Å; N12-N15 PolarHBondContact O-N 3.01Å; N12-R16 WeakPolarHBondContact O-CB 3.17Å; N12-R16 PolarHBondContact O-N 3.45Å
13E98.7Very high98.3Very high21 Ų2145.6 Ų45.610%0.09824%0.241CC..Hα-helixtrans-68.7-37.6178.6-173.666.916600111.9D9 A10 N15 R16 L17 A75 T78 R79D9-E13 WeakPolarHBondContact O-CB 3.29Å; D9-E13 PolarHBondContact O-N 3.03Å; D9-E13 VanDerWaalsContact O-N 3.1Å; A10-E13 PolarHBondContact O-N 2.94Å; E13-N15 VanDerWaalsContact C-N 3.34Å; E13-N15 PolarHBondContact O-N 3.04Å; E13-R16 PolarHBondContact O-N 2.74Å; E13-R16 IonicContact OE1-CZ 3.56Å; E13-R16 IonicContact OE1-NE 3.64Å; E13-R16 IonicContact OE1-NH2 3.46Å; E13-R16 PolarHBondContact OE1-NH2 3.09Å; E13-R16 IonicContact OE2-CZ 3.24Å; E13-R16 IonicContact OE2-NE 2.79Å; E13-R16 PolarHBondContact OE2-NE 3.14Å; E13-R16 IonicContact OE2-NH2 3.64Å; E13-R16 PolarHBondContact OE2-NH2 3.03Å; E13-L17 HydrophobicContact CG-CD1 3.95Å; E13-L17 WeakPolarHBondContact O-CB 3.13Å; E13-L17 WeakPolarHBondContact O-CD1 3.45Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.4Å; E13-L17 PolarHBondContact O-N 3.45Å; E13-A75 HydrophobicContact CB-CB 4.04Å; E13-A75 HydrophobicContact CG-CB 4.29Å; E13-T78 HydrophobicContact CB-CG2 3.92Å; E13-T78 HydrophobicContact CG-CG2 3.64Å; E13-R79 HydrophobicContact CG-CG 4.14Å; E13-R79 VanDerWaalsContact OE1-CD 3.29Å; E13-R79 WeakPolarHBondContact OE1-CD 3.31Å; E13-R79 WeakPolarHBondContact OE1-CG 3.47Å; E13-R79 IonicContact OE1-NH1 3.64Å; E13-R79 PolarHBondContact OE1-NH1 3.5Å
14H98.8Very high98.3Very high0 Ų045.7 Ų45.70%025%0.245CC..Hα-helixtrans-57.3-50.1172.4-8368.2000110.2A10 L11 R16 L17 R18 L26 T78 W81 F114 Y131A10-H14 WeakPolarHBondContact O-CB 3.43Å; A10-H14 PolarHBondContact O-N 3.33Å; A10-H14 PolarHBondContact O-ND1 2.8Å; L11-H14 PolarHBondContact O-N 3.08Å; H14-R16 PolarHBondContact O-N 3.41Å; H14-L17 PolarHBondContact O-N 3.16Å; H14-R18 VanDerWaalsContact O-CB 3.31Å; H14-R18 WeakPolarHBondContact O-CB 3.44Å; H14-R18 WeakPolarHBondContact O-CG 3.22Å; H14-R18 PolarHBondContact O-N 2.81Å; H14-L26 HydrophobicContact CB-CD1 4.28Å; H14-T78 HydrophobicContact CB-CG2 4.48Å; H14-T78 VanDerWaalsContact CE1-CG2 3.48Å; H14-T78 WeakPolarHBondContact CE1-CG2 3.46Å; H14-T78 PolarHBondContact CE1-OG1 3.02Å; H14-T78 WeakPolarHBondContact ND1-CG2 3.4Å; H14-T78 PolarHBondContact ND1-OG1 3.26Å; H14-W81 AromaticContact CE1-CE3 3.98Å; H14-W81 AromaticContact CE1-CZ3 3.8Å; H14-F114 AromaticContact CE1-CE1 3.45Å; H14-F114 VanDerWaalsContact CE1-CE1 3.45Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.15Å; H14-F114 AromaticContact CE1-CZ 3.42Å; H14-F114 VanDerWaalsContact CE1-CZ 3.42Å; H14-F114 WeakPolarHBondContact CE1-CZ 3.33Å; H14-F114 AromaticContact ND1-CZ 3.71Å; H14-F114 AromaticContact NE2-CE1 3.75Å; H14-F114 AromaticContact NE2-CZ 3.71Å; H14-Y131 AromaticContact CD2-CE1 3.92Å; H14-Y131 AromaticContact NE2-CE1 3.65Å; H14-Y131 AromaticContact NE2-CZ 3.8Å; H14-Y131 PolarHBondContact NE2-OH 3.42Å
15N98.8Very high98.4Very high37 Ų3742.2 Ų42.220%0.19824%0.237CC..Hα-helixtrans-66.9-37.3-176.8-72.2-17.9000112.3L11 N12 E13 A19 P25 L26L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 VanDerWaalsContact O-CG 3.26Å; L11-N15 PolarHBondContact O-N 3.25Å; L11-N15 PolarHBondContact O-ND2 3.01Å; N12-N15 PolarHBondContact O-N 3.01Å; E13-N15 VanDerWaalsContact C-N 3.34Å; E13-N15 PolarHBondContact O-N 3.04Å; N15-A19 WeakPolarHBondContact O-CB 3.16Å; N15-A19 PolarHBondContact O-N 2.93Å; N15-A19 VanDerWaalsContact O-N 3.08Å; N15-P25 HydrophobicContact CB-CB 4.3Å; N15-P25 WeakPolarHBondContact OD1-CA 3.38Å; N15-L26 PolarHBondContact ND2-O 2.75Å; N15-L26 VanDerWaalsContact ND2-O 3.14Å; N15-L26 PolarHBondContact OD1-N 2.98Å
16R98.4Very high98.4Very high114 Ų11437 Ų3743%0.4321%0.213SC..Hα-helixtrans-60.2-45.7172.7-169.5-169.967.673.9-1.3111.6N12 E13 H14N12-R16 WeakPolarHBondContact O-CB 3.17Å; N12-R16 PolarHBondContact O-N 3.45Å; E13-R16 PolarHBondContact O-N 2.74Å; E13-R16 IonicContact OE1-CZ 3.56Å; E13-R16 IonicContact OE1-NE 3.64Å; E13-R16 IonicContact OE1-NH2 3.46Å; E13-R16 PolarHBondContact OE1-NH2 3.09Å; E13-R16 IonicContact OE2-CZ 3.24Å; E13-R16 IonicContact OE2-NE 2.79Å; E13-R16 PolarHBondContact OE2-NE 3.14Å; E13-R16 IonicContact OE2-NH2 3.64Å; E13-R16 PolarHBondContact OE2-NH2 3.03Å; H14-R16 PolarHBondContact O-N 3.41Å
17L98.4Very high98.5Very high1 Ų144 Ų441%0.00524%0.243CC..Hα-helixtrans-72.9-40.8-179-69.6166.8000112.3E13 H14 A19 L20 H21 T78 Y82 L104E13-L17 HydrophobicContact CG-CD1 3.95Å; E13-L17 WeakPolarHBondContact O-CB 3.13Å; E13-L17 WeakPolarHBondContact O-CD1 3.45Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.4Å; E13-L17 PolarHBondContact O-N 3.45Å; H14-L17 PolarHBondContact O-N 3.16Å; L17-A19 VanDerWaalsContact C-N 3.25Å; L17-A19 PolarHBondContact O-N 3.47Å; L17-L20 HydrophobicContact CD2-CD1 4.05Å; L17-L20 VanDerWaalsContact O-CB 3.29Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 2.89Å; L17-H21 PolarHBondContact O-CD2 3.17Å; L17-T78 HydrophobicContact CD1-CG2 3.8Å; L17-Y82 HydrophobicContact CB-CD2 3.88Å; L17-Y82 HydrophobicContact CB-CE2 3.96Å; L17-Y82 HydrophobicContact CB-CG 4.45Å; L17-Y82 HydrophobicContact CD1-CD1 4.39Å; L17-Y82 HydrophobicContact CD1-CD2 3.96Å; L17-Y82 HydrophobicContact CD1-CG 3.77Å; L17-Y82 HydrophobicContact CD2-CD1 3.71Å; L17-Y82 HydrophobicContact CD2-CD2 3.97Å; L17-Y82 HydrophobicContact CD2-CE1 3.75Å; L17-Y82 HydrophobicContact CD2-CE2 4.01Å; L17-Y82 HydrophobicContact CD2-CG 3.82Å; L17-Y82 HydrophobicContact CG-CD2 4.16Å; L17-Y82 HydrophobicContact CG-CE2 4.44Å; L17-Y82 HydrophobicContact CG-CG 4.23Å; L17-L104 HydrophobicContact CB-CD2 4.18Å
18R98.6Very high98.5Very high1 Ų148.4 Ų48.40%0.00426%0.26CS..Hα-helixtrans-58.4-36.7174.2-75.8175.169.284.9-1.2112.4H14 L20 H21 G22 C23 P24 L104 W106 K107 T109H14-R18 VanDerWaalsContact O-CB 3.31Å; H14-R18 WeakPolarHBondContact O-CB 3.44Å; H14-R18 WeakPolarHBondContact O-CG 3.22Å; H14-R18 PolarHBondContact O-N 2.81Å; R18-L20 VanDerWaalsContact C-N 3.25Å; R18-L20 PolarHBondContact O-N 3.38Å; R18-H21 CarbonylContact O-C 3.6Å; R18-H21 PolarHBondContact O-N 3.31Å; R18-G22 PolarHBondContact O-N 3.46Å; R18-C23 HydrophobicContact CB-CB 3.98Å; R18-C23 HydrophobicContact CG-CB 4.34Å; R18-C23 PolarHBondContact O-N 2.92Å; R18-P24 VanDerWaalsContact CZ-O 3.24Å; R18-P24 PolarHBondContact NE-O 3.2Å; R18-P24 PolarHBondContact NH2-O 3Å; R18-L104 WeakPolarHBondContact CD-O 3.37Å; R18-L104 HydrophobicContact CG-CD2 4.37Å; R18-L104 WeakPolarHBondContact CG-O 3.45Å; R18-L104 PolarHBondContact NH1-O 2.83Å; R18-W106 PolarHBondContact NH1-O 2.9Å; R18-W106 PolarHBondContact NH2-O 3.22Å; R18-W106 VanDerWaalsContact NH2-O 3.16Å; R18-K107 PolarHBondContact NH2-O 3.26Å; R18-T109 PolarHBondContact NH2-O 3.29Å; R18-T109 VanDerWaalsContact NH2-O 3.17Å
19A98.1Very high98.4Very high60 Ų6044.9 Ų44.950%0.49625%0.245SC..Hα-helixtrans-61.2-32175.900000112.9N15 L17 H21 G22N15-A19 WeakPolarHBondContact O-CB 3.16Å; N15-A19 PolarHBondContact O-N 2.93Å; N15-A19 VanDerWaalsContact O-N 3.08Å; L17-A19 VanDerWaalsContact C-N 3.25Å; L17-A19 PolarHBondContact O-N 3.47Å; A19-H21 PolarHBondContact O-N 2.91Å; A19-G22 PolarHBondContact O-N 3.4Å; A19-G22 VanDerWaalsContact O-N 3.15Å
20L97.9Very high98.4Very high59 Ų5951.4 Ų51.431%0.30927%0.266SS..Hα-helixtrans-63-22.9175.8-54.5179.6000112.6L17 R18 P148 I149L17-L20 HydrophobicContact CD2-CD1 4.05Å; L17-L20 VanDerWaalsContact O-CB 3.29Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 2.89Å; R18-L20 VanDerWaalsContact C-N 3.25Å; R18-L20 PolarHBondContact O-N 3.38Å; L20-P148 CarbonylContact O-C 3.56Å; L20-P148 WeakPolarHBondContact O-CA 3.29Å; L20-I149 PolarHBondContact O-N 3.14Å
21H97.8Very high98.3Very high4 Ų454.4 Ų54.42%0.01928%0.277CS..THydrogen-bonded Turntrans-105.30.2-179.1-69.1-92.5000112.8L17 R18 A19 C23 Y82 F101 I105 P146L17-H21 PolarHBondContact O-CD2 3.17Å; R18-H21 CarbonylContact O-C 3.6Å; R18-H21 PolarHBondContact O-N 3.31Å; A19-H21 PolarHBondContact O-N 2.91Å; H21-C23 PolarHBondContact O-N 2.91Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.38Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.47Å; H21-Y82 AromaticContact NE2-CZ 3.47Å; H21-Y82 PolarHBondContact NE2-OH 3.26Å; H21-F101 AromaticContact CE1-CE2 3.85Å; H21-F101 AromaticContact CE1-CZ 3.68Å; H21-F101 AromaticContact NE2-CE2 3.81Å; H21-I105 HydrophobicContact CB-CD1 4.44Å; H21-P146 HydrophobicContact CB-CG 4.18Å; H21-P146 PolarHBondContact ND1-O 3.22Å; H21-P146 WeakPolarHBondContact O-CG 3.03Å
22G97.3Very high98.3Very high45 Ų4553.2 Ų53.246%0.46427%0.271SS..THydrogen-bonded Turntrans70.219.1-175.800000114.1R18 A19R18-G22 PolarHBondContact O-N 3.46Å; A19-G22 PolarHBondContact O-N 3.4Å; A19-G22 VanDerWaalsContact O-N 3.15Å
23C98.4Very high98.3Very high8 Ų849.4 Ų49.45%0.05425%0.251CS..PPolyproline II helixtrans-83.3138.8177.5-650000110.5R18 H21 I105 P146R18-C23 HydrophobicContact CB-CB 3.98Å; R18-C23 HydrophobicContact CG-CB 4.34Å; R18-C23 PolarHBondContact O-N 2.92Å; H21-C23 PolarHBondContact O-N 2.91Å; C23-I105 PolarHBondContact SG-O 2.68Å; C23-P146 VanDerWaalsContact SG-CG 3.6Å
24P98.5Very high98.2Very high69 Ų6955.3 Ų55.345%0.44827%0.272SS..PPolyproline II helixtrans-58150.2177-23.433.2000112.1R18R18-P24 VanDerWaalsContact CZ-O 3.24Å; R18-P24 PolarHBondContact NE-O 3.2Å; R18-P24 PolarHBondContact NH2-O 3Å
25P98.7Very high98Very high91 Ų9157.9 Ų57.959%0.59128%0.284SS*.PPolyproline II helixtrans-65.9142.7177.128.6-34.9000111.4N15N15-P25 HydrophobicContact CB-CB 4.3Å; N15-P25 WeakPolarHBondContact OD1-CA 3.38Å
26L98.8Very high98Very high5 Ų556.1 Ų56.13%0.02627%0.274CS..PPolyproline II helixtrans-74.6146.8169.6-58.9179.2000110.3L11 H14 N15 T109 A112 Y131L11-L26 HydrophobicContact CD1-CB 3.8Å; H14-L26 HydrophobicContact CB-CD1 4.28Å; N15-L26 PolarHBondContact ND2-O 2.75Å; N15-L26 VanDerWaalsContact ND2-O 3.14Å; N15-L26 PolarHBondContact OD1-N 2.98Å; L26-T109 HydrophobicContact CD2-CG2 3.73Å; L26-T109 WeakPolarHBondContact CD2-O 3.49Å; L26-A112 HydrophobicContact CD1-CB 3.91Å; L26-Y131 HydrophobicContact CD1-CD1 4.38Å; L26-Y131 HydrophobicContact CD1-CE1 4.44Å
27K98.7Very high98Very high155 Ų15551 Ų5167%0.67426%0.256SS*.EExtended strand (participates in β ladder)trans-100.2143.6169.7-63.1179.9-178178.30110.2D29 S110 K111 A112K27-D29 PolarHBondContact O-N 3.22Å; K27-S110 PolarHBondContact N-O 2.93Å; K27-K111 CarbonylContact O-C 3.58Å; K27-K111 WeakPolarHBondContact O-CA 3.42Å; K27-A112 PolarHBondContact O-N 3.29Å
28Y98.6Very high97.9Very high98 Ų9852 Ų5238%0.38426%0.264SS..EExtended strand (participates in β ladder)trans-62.8133.7170.2175.3-111.1000110.8N7 R30 A33 A112N7-Y28 HydrophobicContact CB-CD2 4.17Å; N7-Y28 HydrophobicContact CB-CE2 3.87Å; N7-Y28 VanDerWaalsContact OD1-CE2 3.28Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.2Å; Y28-R30 HydrophobicContact CE1-CB 3.87Å; Y28-R30 HydrophobicContact CE1-CG 4.43Å; Y28-A33 HydrophobicContact CE2-CB 3.68Å; Y28-A112 CarbonylContact C-O 3.58Å; Y28-A112 WeakPolarHBondContact CA-O 3.48Å
29D98.4Very high97.7Very high29 Ų2952.8 Ų52.816%0.15527%0.267CS..  trans-123.3118.1169.4-171.9-65000111.1K27 R31 L32 A33 K111 A112K27-D29 PolarHBondContact O-N 3.22Å; D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3.24Å; D29-R31 WeakPolarHBondContact OD1-CA 3.5Å; D29-R31 VanDerWaalsContact OD1-CB 3.25Å; D29-R31 WeakPolarHBondContact OD1-CB 3.31Å; D29-R31 PolarHBondContact OD1-N 2.78Å; D29-L32 HydrophobicContact CB-CB 4.16Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.94Å; D29-L32 PolarHBondContact O-N 3.42Å; D29-L32 PolarHBondContact OD1-N 2.85Å; D29-A33 PolarHBondContact O-N 3.46Å; D29-K111 HydrophobicContact CB-CB 4.04Å; D29-K111 HydrophobicContact CB-CD 4.13Å; D29-K111 IonicContact OD2-NZ 3.84Å; D29-A112 PolarHBondContact N-O 3.35Å
30R97.6Very high97.7Very high177 Ų17750 Ų5067%0.66824%0.243SC*.Hα-helixtrans-67.1-27.9-176.8-169.4177.1-176.7-169.93.7113.2Y28 R34Y28-R30 HydrophobicContact CE1-CB 3.87Å; Y28-R30 HydrophobicContact CE1-CG 4.43Å; R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 2.77Å; R30-R34 PolarHBondContact O-NE 3.44Å
31R96.9Very high97.6Very high63 Ų6350.9 Ų50.924%0.23825%0.246CC..Hα-helixtrans-70-49.4174.8176.4-177.557.682.1-1.7109.4D29 A33 R34 E35 E132D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3.24Å; D29-R31 WeakPolarHBondContact OD1-CA 3.5Å; D29-R31 VanDerWaalsContact OD1-CB 3.25Å; D29-R31 WeakPolarHBondContact OD1-CB 3.31Å; D29-R31 PolarHBondContact OD1-N 2.78Å; R31-A33 VanDerWaalsContact C-N 3.28Å; R31-A33 PolarHBondContact O-N 3.4Å; R31-R34 PolarHBondContact O-N 2.96Å; R31-R34 VanDerWaalsContact O-N 3.12Å; R31-E35 WeakPolarHBondContact CG-OE1 3.46Å; R31-E35 IonicContact NH1-OE1 3.17Å; R31-E35 IonicContact NH1-OE2 2.61Å; R31-E35 PolarHBondContact NH1-OE2 2.77Å; R31-E35 VanDerWaalsContact NH1-OE2 3.17Å; R31-E35 PolarHBondContact O-N 2.91Å; R31-E132 IonicContact CZ-OE2 2.78Å; R31-E132 IonicContact NH2-OE1 2.99Å; R31-E132 IonicContact NH2-OE2 3.73Å; R31-E132 PolarHBondContact NH2-OE2 3.1Å
32L97.6Very high97.4Very high0 Ų051.9 Ų51.90%025%0.252CS..Hα-helixtrans-57.2-42.4177.3-64.5-176.2000111.5D29 R34 E35 A36 Y57 K111 R130 E132D29-L32 HydrophobicContact CB-CB 4.16Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.94Å; D29-L32 PolarHBondContact O-N 3.42Å; D29-L32 PolarHBondContact OD1-N 2.85Å; L32-R34 PolarHBondContact O-N 3.14Å; L32-E35 PolarHBondContact O-N 3.34Å; L32-A36 VanDerWaalsContact O-CB 3.29Å; L32-A36 WeakPolarHBondContact O-CB 3.21Å; L32-A36 PolarHBondContact O-N 3.38Å; L32-Y57 HydrophobicContact CD2-CD1 4.12Å; L32-K111 HydrophobicContact CD1-CB 4.1Å; L32-R130 HydrophobicContact CB-CB 3.97Å; L32-R130 HydrophobicContact CD2-CB 4.25Å; L32-E132 HydrophobicContact CD1-CB 3.82Å
33A98.4Very high97.3Very high0 Ų049.8 Ų49.80%023%0.23CC..Hα-helixtrans-63.8-39.2177.600000113.1V2 Y28 D29 R31 Q37V2-A33 HydrophobicContact CG1-CB 3.81Å; V2-A33 HydrophobicContact CG2-CB 4.37Å; Y28-A33 HydrophobicContact CE2-CB 3.68Å; D29-A33 PolarHBondContact O-N 3.46Å; R31-A33 VanDerWaalsContact C-N 3.28Å; R31-A33 PolarHBondContact O-N 3.4Å; A33-Q37 VanDerWaalsContact O-CB 3.27Å; A33-Q37 WeakPolarHBondContact O-CB 3.38Å; A33-Q37 PolarHBondContact O-N 3.32Å
34R97.4Very high97.1Very high146 Ų14649.7 Ų49.755%0.55123%0.23SC*.Hα-helixtrans-65.9-39.6174.9-75.6-175.6-64.1-173.72.2112.2V2 R30 R31 L32 A38V2-R34 HydrophobicContact CG2-CB 4.41Å; V2-R34 HydrophobicContact CG2-CG 3.76Å; R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 2.77Å; R30-R34 PolarHBondContact O-NE 3.44Å; R31-R34 PolarHBondContact O-N 2.96Å; R31-R34 VanDerWaalsContact O-N 3.12Å; L32-R34 PolarHBondContact O-N 3.14Å; R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 3.45Å
35E95.4Very high96.8Very high53 Ų5351.6 Ų51.625%0.24823%0.228CC..Hα-helixtrans-69.1-43.1177.7-72.2168.9-179.600111.1R31 L32 Q37 A38 W39 Y57R31-E35 WeakPolarHBondContact CG-OE1 3.46Å; R31-E35 IonicContact NH1-OE1 3.17Å; R31-E35 IonicContact NH1-OE2 2.61Å; R31-E35 PolarHBondContact NH1-OE2 2.77Å; R31-E35 VanDerWaalsContact NH1-OE2 3.17Å; R31-E35 PolarHBondContact O-N 2.91Å; L32-E35 PolarHBondContact O-N 3.34Å; E35-Q37 PolarHBondContact O-N 2.92Å; E35-A38 PolarHBondContact O-N 3.33Å; E35-W39 PolarHBondContact O-N 3.05Å; E35-Y57 VanDerWaalsContact OE2-CE1 3.29Å; E35-Y57 WeakPolarHBondContact OE2-CE1 3.45Å
36A97.5Very high96.4Very high0 Ų048.8 Ų48.80%021%0.208CC..Hα-helixtrans-58.4-46.1172.500000111.9L32 A38 W39 A40 V128 R130L32-A36 VanDerWaalsContact O-CB 3.29Å; L32-A36 WeakPolarHBondContact O-CB 3.21Å; L32-A36 PolarHBondContact O-N 3.38Å; A36-A38 PolarHBondContact O-N 2.72Å; A36-W39 PolarHBondContact O-N 3.23Å; A36-W39 VanDerWaalsContact O-N 3.13Å; A36-A40 PolarHBondContact O-N 3.04Å; A36-V128 HydrophobicContact CB-CB 4.13Å; A36-V128 HydrophobicContact CB-CG1 4.02Å; A36-R130 HydrophobicContact CB-CB 4.41Å; A36-R130 HydrophobicContact CB-CG 3.71Å
37Q98.1Very high95.9Very high8 Ų854.3 Ų54.34%0.03723%0.232CC..Hα-helixtrans-61.5-45.5177.8-176.860.444.800112M1 V2 A33 E35 W39 A40 E41 I116M1-Q37 VanDerWaalsContact O-CD 3.26Å; M1-Q37 WeakPolarHBondContact O-CG 3.47Å; M1-Q37 PolarHBondContact O-OE1 2.89Å; V2-Q37 HydrophobicContact CG2-CB 4.13Å; A33-Q37 VanDerWaalsContact O-CB 3.27Å; A33-Q37 WeakPolarHBondContact O-CB 3.38Å; A33-Q37 PolarHBondContact O-N 3.32Å; E35-Q37 PolarHBondContact O-N 2.92Å; Q37-W39 PolarHBondContact O-N 3.02Å; Q37-A40 PolarHBondContact O-N 3.26Å; Q37-E41 PolarHBondContact NE2-OE1 2.94Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.47Å; Q37-I116 PolarHBondContact NE2-O 3.05Å; Q37-I116 PolarHBondContact OE1-O 3.5Å
38A96.1Very high95.5Very high22 Ų2250.3 Ų50.318%0.18222%0.217CC..Hα-helixtrans-61.4-31.5176.100000112.2R34 E35 A36 N42R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 3.45Å; E35-A38 PolarHBondContact O-N 3.33Å; A36-A38 PolarHBondContact O-N 2.72Å; A38-N42 PolarHBondContact O-N 3.44Å
39W95.8Very high95.1Very high17 Ų1749.2 Ų49.26%0.06422%0.216CC..Hα-helixtrans-75.7-43.1175-166.4-124.3000112.8E35 A36 Q37 E41 N42 L43 K50 E59 V128 E222E35-W39 PolarHBondContact O-N 3.05Å; A36-W39 PolarHBondContact O-N 3.23Å; A36-W39 VanDerWaalsContact O-N 3.13Å; Q37-W39 PolarHBondContact O-N 3.02Å; W39-E41 PolarHBondContact O-N 3.36Å; W39-N42 HydrophobicContact CE3-CB 3.73Å; W39-N42 HydrophobicContact CZ3-CB 3.71Å; W39-N42 WeakPolarHBondContact O-CA 3.4Å; W39-N42 WeakPolarHBondContact O-CB 3.4Å; W39-N42 PolarHBondContact O-N 2.81Å; W39-L43 HydrophobicContact CZ2-CD2 4.05Å; W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.04Å; W39-K50 WeakPolarHBondContact CZ2-O 3.35Å; W39-K50 PolarHBondContact NE1-O 3.4Å; W39-K50 VanDerWaalsContact NE1-O 3.13Å; W39-E59 PolarHBondContact NE1-OE2 3.17Å; W39-V128 HydrophobicContact CB-CG1 4.34Å; W39-V128 HydrophobicContact CB-CG2 4.18Å; W39-V128 HydrophobicContact CG-CG2 4.3Å; W39-E222 WeakPolarHBondContact CH2-OE1 3.45Å; W39-E222 WeakPolarHBondContact CH2-OE2 3.43Å; W39-E222 HydrophobicContact CZ3-CG 4.15Å; W39-E222 WeakPolarHBondContact CZ3-OE1 3.42Å; W39-E222 WeakPolarHBondContact CZ3-OE2 3.46Å
40A96.7Very high94.6Very high0 Ų050.8 Ų50.80%022%0.222CC..Hα-helixtrans-55.7-42.1173.100000111.3A36 Q37 N42 L43 A44 Q117 V128A36-A40 PolarHBondContact O-N 3.04Å; Q37-A40 PolarHBondContact O-N 3.26Å; A40-N42 VanDerWaalsContact C-N 3.31Å; A40-N42 PolarHBondContact O-N 3.07Å; A40-L43 PolarHBondContact O-N 3.13Å; A40-A44 WeakPolarHBondContact O-CB 3.43Å; A40-A44 PolarHBondContact O-N 3.01Å; A40-Q117 VanDerWaalsContact C-CB 3.47Å; A40-Q117 HydrophobicContact CB-CB 3.86Å; A40-Q117 WeakPolarHBondContact O-CB 3.09Å; A40-V128 HydrophobicContact CB-CG2 3.91Å
41E96.5Very high94.2Very high79 Ų7946 Ų4637%0.36921%0.207SC..Hα-helixtrans-56-42.2172.5-74168.1-166.700112.9Q37 W39 R45 Q117Q37-E41 PolarHBondContact NE2-OE1 2.94Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.47Å; W39-E41 PolarHBondContact O-N 3.36Å; E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 2.79Å; E41-Q117 HydrophobicContact CG-CG 4.35Å
42N94Very high93.7Very high25 Ų2543.7 Ų43.713%0.13420%0.2CC..Hα-helixtrans-69.7-43.3175.9-80.6-31.3000112.9A38 W39 A40 R45 L46A38-N42 PolarHBondContact O-N 3.44Å; W39-N42 HydrophobicContact CE3-CB 3.73Å; W39-N42 HydrophobicContact CZ3-CB 3.71Å; W39-N42 WeakPolarHBondContact O-CA 3.4Å; W39-N42 WeakPolarHBondContact O-CB 3.4Å; W39-N42 PolarHBondContact O-N 2.81Å; A40-N42 VanDerWaalsContact C-N 3.31Å; A40-N42 PolarHBondContact O-N 3.07Å; N42-R45 PolarHBondContact O-N 3.11Å; N42-R45 PolarHBondContact OD1-NH2 3.2Å; N42-L46 WeakPolarHBondContact O-CB 3.36Å; N42-L46 WeakPolarHBondContact O-CG 3.28Å; N42-L46 PolarHBondContact O-N 3.42Å
43L94.3Very high93Very high0 Ų048.8 Ų48.80%023%0.226CC..Hα-helixtrans-60.2-45.8177.9-65.2176.1000111.1W39 A40 R45 L46 K47 I48 K50 L61 F126 V128W39-L43 HydrophobicContact CZ2-CD2 4.05Å; W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.04Å; A40-L43 PolarHBondContact O-N 3.13Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 2.89Å; L43-K47 VanDerWaalsContact O-CA 3.29Å; L43-K47 WeakPolarHBondContact O-CA 3.46Å; L43-K47 PolarHBondContact O-N 2.95Å; L43-I48 HydrophobicContact CD2-CG1 4.23Å; L43-I48 VanDerWaalsContact CD2-O 3.3Å; L43-I48 WeakPolarHBondContact CD2-O 3.14Å; L43-I48 PolarHBondContact O-N 3.25Å; L43-K50 WeakPolarHBondContact CD2-O 3.46Å; L43-L61 HydrophobicContact CD1-CD1 4.47Å; L43-L61 HydrophobicContact CD1-CD2 3.89Å; L43-F126 HydrophobicContact CB-CB 4.15Å; L43-F126 HydrophobicContact CB-CD1 3.67Å; L43-F126 HydrophobicContact CB-CE1 4.22Å; L43-F126 HydrophobicContact CB-CG 3.97Å; L43-F126 HydrophobicContact CD1-CD1 4.5Å; L43-V128 HydrophobicContact CD1-CG2 3.66Å
44A94.9Very high92Very high7 Ų749.8 Ų49.86%0.05823%0.233CC..Hα-helixtrans-63.5-37.6178.200000113.2A40 Q117 F126A40-A44 WeakPolarHBondContact O-CB 3.43Å; A40-A44 PolarHBondContact O-N 3.01Å; A44-Q117 HydrophobicContact CB-CB 3.9Å; A44-Q117 HydrophobicContact CB-CG 3.34Å; A44-F126 VanDerWaalsContact CA-CE2 3.46Å; A44-F126 HydrophobicContact CB-CD2 3.71Å; A44-F126 HydrophobicContact CB-CE2 3.99Å
45R93Very high91.1Very high108 Ų10850.3 Ų50.341%0.40825%0.247SC..Hα-helixtrans-77.8-30.6179.9-168.8-160.64542.216.3112.5E41 N42 L43E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 2.79Å; N42-R45 PolarHBondContact O-N 3.11Å; N42-R45 PolarHBondContact OD1-NH2 3.2Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.4Å
46L90.5Very high90.5Very high33 Ų3350.5 Ų50.517%0.17325%0.248CC..Hα-helixtrans-86-17.9173.8-67.8170.8000112.8N42 L43 I48 E215 I218N42-L46 WeakPolarHBondContact O-CB 3.36Å; N42-L46 WeakPolarHBondContact O-CG 3.28Å; N42-L46 PolarHBondContact O-N 3.42Å; L43-L46 PolarHBondContact O-N 2.89Å; L46-I48 VanDerWaalsContact C-N 3.26Å; L46-I48 HydrophobicContact CB-CD1 4Å; L46-I48 HydrophobicContact CB-CG1 3.77Å; L46-I48 HydrophobicContact CB-CG2 4.32Å; L46-I48 HydrophobicContact CD1-CD1 3.8Å; L46-I48 HydrophobicContact CD1-CG1 4.33Å; L46-I48 HydrophobicContact CG-CD1 4.49Å; L46-I48 PolarHBondContact O-N 3.02Å; L46-E215 HydrophobicContact CD2-CG 3.92Å; L46-I218 HydrophobicContact CD2-CD1 4.12Å
47K88.3Confident90.2Very high121 Ų12151.8 Ų51.853%0.52625%0.253SS..THydrogen-bonded Turntrans54.439.4-171.8-59.8-172.5171.3-163.40113L43 D121L43-K47 VanDerWaalsContact O-CA 3.29Å; L43-K47 WeakPolarHBondContact O-CA 3.46Å; L43-K47 PolarHBondContact O-N 2.95Å; K47-D121 IonicContact NZ-OD2 3.54Å; K47-D121 PolarHBondContact NZ-OD2 3.26Å
48I89Confident90.2Very high70 Ų7051.7 Ų51.736%0.35925%0.254SS..  trans-121.2156.6178.268-179.8000111.3L43 L46 K50 F126L43-I48 HydrophobicContact CD2-CG1 4.23Å; L43-I48 VanDerWaalsContact CD2-O 3.3Å; L43-I48 WeakPolarHBondContact CD2-O 3.14Å; L43-I48 PolarHBondContact O-N 3.25Å; L46-I48 VanDerWaalsContact C-N 3.26Å; L46-I48 HydrophobicContact CB-CD1 4Å; L46-I48 HydrophobicContact CB-CG1 3.77Å; L46-I48 HydrophobicContact CB-CG2 4.32Å; L46-I48 HydrophobicContact CD1-CD1 3.8Å; L46-I48 HydrophobicContact CD1-CG1 4.33Å; L46-I48 HydrophobicContact CG-CD1 4.49Å; L46-I48 PolarHBondContact O-N 3.02Å; I48-K50 HydrophobicContact CD1-CB 4Å; I48-K50 HydrophobicContact CD1-CD 4.48Å; I48-K50 HydrophobicContact CG1-CB 4.29Å; I48-F126 WeakPolarHBondContact O-CE1 3.28Å
49M90Very high90.3Very high75 Ų7551.5 Ų51.537%0.36925%0.25SC..  trans-110.193.4168.2-76.9-65.8-73.900108.6L61 F126M49-L61 HydrophobicContact CE-CB 3.58Å; M49-F126 HydrophobicContact CG-CE1 4.38Å; M49-F126 HydrophobicContact SD-CD1 3.67Å; M49-F126 HydrophobicContact SD-CE1 4.06Å
50K89.5Confident90.4Very high62 Ų6250.8 Ų50.827%0.2725%0.247SC..  trans-141.7136.4-177.6-168.8-175.6175.2-174.80110.6W39 L43 I48 L61W39-K50 WeakPolarHBondContact CZ2-O 3.35Å; W39-K50 PolarHBondContact NE1-O 3.4Å; W39-K50 VanDerWaalsContact NE1-O 3.13Å; L43-K50 WeakPolarHBondContact CD2-O 3.46Å; I48-K50 HydrophobicContact CD1-CB 4Å; I48-K50 HydrophobicContact CD1-CD 4.48Å; I48-K50 HydrophobicContact CG1-CB 4.29Å; K50-L61 WeakPolarHBondContact O-CD1 3.4Å
51H87.6Confident90.4Very high76 Ų7651.3 Ų51.335%0.35225%0.25SC..  trans-58.9146.1171.3-76.6-68000111.7E59H51-E59 WeakPolarHBondContact CA-OE1 3.25Å; H51-E59 WeakPolarHBondContact CB-OE1 3.36Å; H51-E59 PolarHBondContact CE1-O 2.82Å; H51-E59 IonicContact CE1-OE1 3.64Å; H51-E59 IonicContact CG-OE1 2.76Å; H51-E59 IonicContact ND1-OE1 3.77Å; H51-E59 PolarHBondContact ND1-OE1 3.37Å
52S87.7Confident90.4Very high15 Ų1548 Ų4811%0.10524%0.235CC..  trans-67.3157.5169.6690000110.7C54 E59 R130S52-C54 PolarHBondContact O-N 3.31Å; S52-E59 PolarHBondContact N-OE1 2.61Å; S52-R130 VanDerWaalsContact OG-CZ 3.25Å; S52-R130 PolarHBondContact OG-NH1 2.88Å; S52-R130 PolarHBondContact OG-NH2 3.2Å
53I82.9Confident90.6Very high107 Ų10748.9 Ų48.955%0.54924%0.244SC..SBendtrans-89.679.5171.9-52.7166.7000108.6
54C77.7Confident90.6Very high22 Ų2249.7 Ų49.715%0.14925%0.25CS..  trans-158.5130.1174.8-179.90000111.5S52 Y57S52-C54 PolarHBondContact O-N 3.31Å; C54-Y57 HydrophobicContact CB-CE2 3.56Å; C54-Y57 WeakPolarHBondContact CB-OH 3.35Å; C54-Y57 VanDerWaalsContact SG-CE2 3.56Å; C54-Y57 PolarHBondContact SG-OH 2.79Å
55D77.7Confident90.6Very high156 Ų15655.2 Ų55.283%0.83428%0.275SS*.  trans-102.72.5-173.8-54-31.7000113.3Y57D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 3.06Å
56E83.3Confident90.6Very high57 Ų5752.7 Ų52.727%0.26627%0.274SS..SBendtrans-73.8-18.3-178.3-67.4-179.7-171.500113.1C229E56-C229 VanDerWaalsContact CD-SG 3.58Å; E56-C229 VanDerWaalsContact OE1-CA 3.31Å; E56-C229 WeakPolarHBondContact OE1-CA 3.46Å; E56-C229 WeakPolarHBondContact OE1-CB 3.5Å; E56-C229 VanDerWaalsContact OE1-O 3.1Å; E56-C229 PolarHBondContact OE2-SG 2.81Å
57Y91.9Very high90.7Very high27 Ų2757.8 Ų57.811%0.10631%0.307CS..SBendtrans-142.1158.4-177.338.9-124.1000110.6L32 E35 C54 D55 Y131L32-Y57 HydrophobicContact CD2-CD1 4.12Å; E35-Y57 VanDerWaalsContact OE2-CE1 3.29Å; E35-Y57 WeakPolarHBondContact OE2-CE1 3.45Å; C54-Y57 HydrophobicContact CB-CE2 3.56Å; C54-Y57 WeakPolarHBondContact CB-OH 3.35Å; C54-Y57 VanDerWaalsContact SG-CE2 3.56Å; C54-Y57 PolarHBondContact SG-OH 2.79Å; D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 3.06Å; Y57-Y131 CarbonylContact C-O 3.59Å; Y57-Y131 WeakPolarHBondContact CA-O 3.17Å; Y57-Y131 WeakPolarHBondContact CB-O 3.03Å
58G96.6Very high90.9Very high6 Ų653.6 Ų53.66%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-73.4161.4164.600000111Q103 R130 Y131G58-Q103 VanDerWaalsContact CA-OE1 3.24Å; G58-R130 WeakPolarHBondContact O-CA 3.39Å; G58-Y131 PolarHBondContact N-O 3.05Å; G58-Y131 PolarHBondContact O-N 3.36Å; G58-Y131 VanDerWaalsContact O-N 3.09Å
59E97.8Very high91.1Very high19 Ų1957.4 Ų57.49%0.08931%0.311CS..EExtended strand (participates in β ladder)trans-142.8135.5175.9-170.6172.551.700112.3W39 H51 S52 L61 V128 G129 R130W39-E59 PolarHBondContact NE1-OE2 3.17Å; H51-E59 WeakPolarHBondContact CA-OE1 3.25Å; H51-E59 WeakPolarHBondContact CB-OE1 3.36Å; H51-E59 PolarHBondContact CE1-O 2.82Å; H51-E59 IonicContact CE1-OE1 3.64Å; H51-E59 IonicContact CG-OE1 2.76Å; H51-E59 IonicContact ND1-OE1 3.77Å; H51-E59 PolarHBondContact ND1-OE1 3.37Å; S52-E59 PolarHBondContact N-OE1 2.61Å; E59-L61 HydrophobicContact CG-CD2 3.86Å; E59-L61 HydrophobicContact CG-CG 4.31Å; E59-V128 HydrophobicContact CG-CG1 4.09Å; E59-V128 WeakPolarHBondContact OE2-CG1 3.41Å; E59-G129 VanDerWaalsContact CA-O 3.26Å; E59-G129 WeakPolarHBondContact CA-O 3.43Å; E59-R130 VanDerWaalsContact CD-CZ 3.43Å; E59-R130 IonicContact OE1-NH1 3.94Å; E59-R130 IonicContact OE2-CZ 2.68Å; E59-R130 IonicContact OE2-NE 3.75Å; E59-R130 IonicContact OE2-NH1 3.5Å; E59-R130 PolarHBondContact OE2-NH1 2.8Å; E59-R130 IonicContact OE2-NH2 3.84Å; E59-R130 PolarHBondContact OE2-NH2 2.85Å
60N98.2Very high91.3Very high1 Ų153.9 Ų53.91%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-121.1143.1162.4-71.30.6000109.6W81 H100 Q103 V128 G129 Y131N60-W81 HydrophobicContact CB-CD2 3.69Å; N60-W81 VanDerWaalsContact CB-CE2 3.46Å; N60-W81 HydrophobicContact CB-CE3 3.97Å; N60-W81 HydrophobicContact CB-CG 4.28Å; N60-W81 HydrophobicContact CB-CH2 3.88Å; N60-W81 HydrophobicContact CB-CZ2 3.57Å; N60-W81 HydrophobicContact CB-CZ3 4.06Å; N60-H100 PolarHBondContact ND2-O 3.33Å; N60-H100 WeakPolarHBondContact OD1-CA 3.21Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.21Å; N60-V128 WeakPolarHBondContact O-CA 3.3Å; N60-G129 PolarHBondContact N-O 2.98Å; N60-G129 PolarHBondContact O-N 3.13Å; N60-Y131 HydrophobicContact CB-CE2 3.86Å; N60-Y131 PolarHBondContact ND2-OH 2.88Å; N60-Y131 VanDerWaalsContact ND2-OH 3.15Å
61L97.5Very high91.5Very high12 Ų1257.3 Ų57.36%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-118.9140.6177.1-56.7-178000109.9L43 M49 K50 E59 W81 I127 V128L43-L61 HydrophobicContact CD1-CD1 4.47Å; L43-L61 HydrophobicContact CD1-CD2 3.89Å; M49-L61 HydrophobicContact CE-CB 3.58Å; K50-L61 WeakPolarHBondContact O-CD1 3.4Å; E59-L61 HydrophobicContact CG-CD2 3.86Å; E59-L61 HydrophobicContact CG-CG 4.31Å; L61-W81 PolarHBondContact O-NE1 2.96Å; L61-I127 WeakPolarHBondContact CA-O 3.46Å; L61-V128 HydrophobicContact CD2-CB 4.22Å; L61-V128 HydrophobicContact CD2-CG1 4.01Å; L61-V128 HydrophobicContact CD2-CG2 3.74Å
62A97.1Very high91.8Very high8 Ų854.4 Ų54.47%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-137.1151170.400000109.7A77 W81 F126 I127A62-A77 HydrophobicContact CB-CB 3.87Å; A62-W81 HydrophobicContact CB-CZ2 3.76Å; A62-F126 CarbonylContact O-C 3.49Å; A62-I127 HydrophobicContact CB-CB 4.33Å; A62-I127 PolarHBondContact N-O 3.24Å; A62-I127 PolarHBondContact O-N 3.42Å
63S96.6Very high92.2Very high44 Ų4457 Ų5731%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-145.9163.4172.764.80000112.4M72 H124 V125S63-M72 WeakPolarHBondContact O-CE 3.49Å; S63-H124 WeakPolarHBondContact CB-NE2 3.48Å; S63-V125 CarbonylContact C-O 3.59Å; S63-V125 WeakPolarHBondContact CA-O 3.45Å; S63-V125 VanDerWaalsContact CB-O 3.23Å; S63-V125 WeakPolarHBondContact CB-O 3.48Å
64A95.2Very high93Very high17 Ų1752 Ų5214%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-145.5141.6171.200000110A70 M72 H124 V125A64-A70 WeakPolarHBondContact O-CB 3.35Å; A64-M72 HydrophobicContact CB-CE 3.51Å; A64-H124 CarbonylContact O-C 3.52Å; A64-H124 WeakPolarHBondContact O-CA 3.5Å; A64-H124 PolarHBondContact O-CD2 2.92Å; A64-V125 HydrophobicContact CB-CG1 3.7Å; A64-V125 PolarHBondContact N-O 2.77Å; A64-V125 PolarHBondContact O-N 3.03Å
65Q94.6Very high93.9Very high124 Ų12451.8 Ų51.858%0.57929%0.287SS*.EExtended strand (participates in β ladder)trans-116.7146.3172.3-67.1-17911.600110.4H123 H124Q65-H123 CarbonylContact C-O 3.57Å; Q65-H123 VanDerWaalsContact CA-O 3.26Å; Q65-H123 WeakPolarHBondContact CA-O 3.32Å; Q65-H124 HydrophobicContact CG-CB 4.18Å; Q65-H124 VanDerWaalsContact CG-CD2 3.47Å; Q65-H124 WeakPolarHBondContact CG-CD2 3.21Å; Q65-H124 PolarHBondContact NE2-CE1 3.3Å; Q65-H124 PolarHBondContact NE2-ND1 3.06Å
66S93.2Very high94.9Very high54 Ų5449.8 Ų49.838%0.37827%0.268SS..  trans-144.2155.6178-178.20000109.9G68 H123S66-G68 VanDerWaalsContact C-N 3.25Å; S66-G68 PolarHBondContact OG-N 2.86Å; S66-G68 VanDerWaalsContact OG-N 3.13Å; S66-H123 PolarHBondContact N-O 2.99Å; S66-H123 WeakPolarHBondContact O-CB 3.3Å; S66-H123 PolarHBondContact O-ND1 3.01Å
67T91.6Very high95.6Very high141 Ų14147.1 Ų47.187%0.86526%0.256SS*.SBendtrans-74.9-19.3167.9520000112.2H123T67-H123 PolarHBondContact O-CE1 3.34Å; T67-H123 PolarHBondContact O-ND1 3.04Å
68G93Very high95.9Very high32 Ų3245.8 Ų45.833%0.3325%0.251SS..SBendtrans-105.9-152.1168.200000111S66 A70 H123S66-G68 VanDerWaalsContact C-N 3.25Å; S66-G68 PolarHBondContact OG-N 2.86Å; S66-G68 VanDerWaalsContact OG-N 3.13Å; G68-A70 PolarHBondContact O-N 2.92Å; G68-H123 PolarHBondContact O-ND1 3.09Å
69K92.8Very high96Very high150 Ų15050.3 Ų50.365%0.65227%0.266SS*.  trans-62.1125.3172.4-172.4179.1-179.6-175.70109.6
70A95.3Very high96Very high1 Ų152.7 Ų52.71%0.00828%0.279CS..  trans-73.4131.3173.500000110.4A64 G68 H118 G122 V125A64-A70 WeakPolarHBondContact O-CB 3.35Å; G68-A70 PolarHBondContact O-N 2.92Å; A70-H118 PolarHBondContact O-CD2 3.02Å; A70-H118 PolarHBondContact O-NE2 3.15Å; A70-G122 PolarHBondContact N-O 2.87Å; A70-V125 HydrophobicContact CB-CB 4.05Å; A70-V125 HydrophobicContact CB-CG1 3.91Å
71E92.9Very high96Very high135 Ų13553 Ų5363%0.63128%0.28SS*.  trans-121.9129.9-178-63.8-168.615500111.1R76E71-R76 PolarHBondContact O-NH1 3.14Å
72M94.8Very high96Very high15 Ų1552.6 Ų52.67%0.07428%0.278CS..  trans-151.5122172.7-173.77170.500107.9S63 A64 R76 A77 V125 I127S63-M72 WeakPolarHBondContact O-CE 3.49Å; A64-M72 HydrophobicContact CB-CE 3.51Å; M72-R76 HydrophobicContact SD-CB 3.79Å; M72-R76 WeakPolarHBondContact SD-CD 3.32Å; M72-R76 HydrophobicContact SD-CG 3.48Å; M72-R76 WeakPolarHBondContact SD-CG 3.38Å; M72-A77 HydrophobicContact CG-CB 4.11Å; M72-A77 HydrophobicContact SD-CB 4.28Å; M72-V125 HydrophobicContact CB-CG1 3.6Å; M72-I127 HydrophobicContact CB-CD1 3.85Å; M72-I127 HydrophobicContact CG-CD1 3.32Å; M72-I127 HydrophobicContact CG-CG1 4.36Å
73T96.7Very high96Very high70 Ų7055.4 Ų55.443%0.42929%0.292SS..  trans-91.7162.1173.665.10000110.2A75 R76 A77T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.33Å; T73-R76 PolarHBondContact O-N 3.08Å; T73-R76 VanDerWaalsContact O-N 3.17Å; T73-R76 WeakPolarHBondContact OG1-CB 3.4Å; T73-R76 PolarHBondContact OG1-N 3.17Å; T73-R76 VanDerWaalsContact OG1-N 3.14Å; T73-A77 PolarHBondContact O-N 3.13Å
74G98Very high96.1Very high1 Ų154.8 Ų54.81%0.0128%0.284CS..Hα-helixtrans-57.8-42.2175.100000112.1R76 A77 T78G74-R76 PolarHBondContact O-N 2.93Å; G74-A77 PolarHBondContact O-N 3.17Å; G74-T78 WeakPolarHBondContact O-CB 3.48Å; G74-T78 PolarHBondContact O-N 3.37Å; G74-T78 PolarHBondContact O-OG1 2.69Å
75A98.2Very high96.1Very high17 Ų1754.6 Ų54.614%0.1428%0.281CS..Hα-helixtrans-65.7-38.1176.700000112.7D9 E13 T73 T78 R79D9-A75 HydrophobicContact CB-CB 4.27Å; E13-A75 HydrophobicContact CB-CB 4.04Å; E13-A75 HydrophobicContact CG-CB 4.29Å; T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.33Å; A75-T78 PolarHBondContact O-N 3Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 3.07Å; A75-R79 PolarHBondContact O-NH1 2.99Å
76R97.8Very high96.1Very high114 Ų11453.4 Ų53.443%0.4328%0.275SS..Hα-helixtrans-67.2-46.7176.9-175-178.1169.2-171-0.4111.7E71 M72 T73 G74 T78 R79 N80E71-R76 PolarHBondContact O-NH1 3.14Å; M72-R76 HydrophobicContact SD-CB 3.79Å; M72-R76 WeakPolarHBondContact SD-CD 3.32Å; M72-R76 HydrophobicContact SD-CG 3.48Å; M72-R76 WeakPolarHBondContact SD-CG 3.38Å; T73-R76 PolarHBondContact O-N 3.08Å; T73-R76 VanDerWaalsContact O-N 3.17Å; T73-R76 WeakPolarHBondContact OG1-CB 3.4Å; T73-R76 PolarHBondContact OG1-N 3.17Å; T73-R76 VanDerWaalsContact OG1-N 3.14Å; G74-R76 PolarHBondContact O-N 2.93Å; R76-T78 VanDerWaalsContact C-N 3.27Å; R76-T78 PolarHBondContact O-N 3.49Å; R76-R79 PolarHBondContact O-N 3.06Å; R76-N80 PolarHBondContact O-N 3.35Å; R76-N80 PolarHBondContact O-OD1 2.81Å
77A98.1Very high96.1Very high1 Ų158.1 Ų58.11%0.00829%0.286CS..Hα-helixtrans-59-42.5175.900000111.6A62 M72 T73 G74 R79 N80 W81 I127A62-A77 HydrophobicContact CB-CB 3.87Å; M72-A77 HydrophobicContact CG-CB 4.11Å; M72-A77 HydrophobicContact SD-CB 4.28Å; T73-A77 PolarHBondContact O-N 3.13Å; G74-A77 PolarHBondContact O-N 3.17Å; A77-R79 PolarHBondContact O-N 3.39Å; A77-N80 PolarHBondContact O-N 3.25Å; A77-W81 HydrophobicContact CB-CH2 4.45Å; A77-W81 HydrophobicContact CB-CZ2 4.44Å; A77-W81 PolarHBondContact O-N 3.5Å; A77-I127 HydrophobicContact CB-CB 4.49Å; A77-I127 HydrophobicContact CB-CD1 3.86Å; A77-I127 HydrophobicContact CB-CG2 4.17Å
78T98.6Very high96.2Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-59.6-46.4176.8-57.40000112.2E13 H14 L17 G74 A75 R76 W81 Y82 L104E13-T78 HydrophobicContact CB-CG2 3.92Å; E13-T78 HydrophobicContact CG-CG2 3.64Å; H14-T78 HydrophobicContact CB-CG2 4.48Å; H14-T78 VanDerWaalsContact CE1-CG2 3.48Å; H14-T78 WeakPolarHBondContact CE1-CG2 3.46Å; H14-T78 PolarHBondContact CE1-OG1 3.02Å; H14-T78 WeakPolarHBondContact ND1-CG2 3.4Å; H14-T78 PolarHBondContact ND1-OG1 3.26Å; L17-T78 HydrophobicContact CD1-CG2 3.8Å; G74-T78 WeakPolarHBondContact O-CB 3.48Å; G74-T78 PolarHBondContact O-N 3.37Å; G74-T78 PolarHBondContact O-OG1 2.69Å; A75-T78 PolarHBondContact O-N 3Å; R76-T78 VanDerWaalsContact C-N 3.27Å; R76-T78 PolarHBondContact O-N 3.49Å; T78-W81 PolarHBondContact O-N 3.49Å; T78-Y82 WeakPolarHBondContact O-CB 3.32Å; T78-Y82 PolarHBondContact O-N 3.34Å; T78-L104 HydrophobicContact CG2-CD1 3.71Å; T78-L104 WeakPolarHBondContact O-CD1 3.48Å
79R98.2Very high96.3Very high101 Ų10153.6 Ų53.638%0.38125%0.248SC..Hα-helixtrans-63.5-43176.5-74.9-171.6-65.7-84.31.5112.4E13 A75 R76 A77 W81 Y82 D83E13-R79 HydrophobicContact CG-CG 4.14Å; E13-R79 VanDerWaalsContact OE1-CD 3.29Å; E13-R79 WeakPolarHBondContact OE1-CD 3.31Å; E13-R79 WeakPolarHBondContact OE1-CG 3.47Å; E13-R79 IonicContact OE1-NH1 3.64Å; E13-R79 PolarHBondContact OE1-NH1 3.5Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 3.07Å; A75-R79 PolarHBondContact O-NH1 2.99Å; R76-R79 PolarHBondContact O-N 3.06Å; A77-R79 PolarHBondContact O-N 3.39Å; R79-W81 VanDerWaalsContact C-N 3.29Å; R79-W81 PolarHBondContact O-N 3.49Å; R79-Y82 CarbonylContact O-C 3.5Å; R79-Y82 WeakPolarHBondContact O-CB 3.49Å; R79-Y82 PolarHBondContact O-N 3Å; R79-D83 VanDerWaalsContact O-CG 3.22Å; R79-D83 PolarHBondContact O-N 3.04Å
80N97.1Very high96.4Very high69 Ų6949.2 Ų49.237%0.36923%0.229SC..Hα-helixtrans-58-42.2176.8-693.1000111.9R76 A77R76-N80 PolarHBondContact O-N 3.35Å; R76-N80 PolarHBondContact O-OD1 2.81Å; A77-N80 PolarHBondContact O-N 3.25Å
81W98.4Very high96.4Very high7 Ų756.6 Ų56.63%0.02727%0.268CS..Hα-helixtrans-64.9-39.1174-65.5-31.8000112.5H14 N60 L61 A62 A77 T78 R79 H100 F101 L104 F114 I127 Y131H14-W81 AromaticContact CE1-CE3 3.98Å; H14-W81 AromaticContact CE1-CZ3 3.8Å; N60-W81 HydrophobicContact CB-CD2 3.69Å; N60-W81 VanDerWaalsContact CB-CE2 3.46Å; N60-W81 HydrophobicContact CB-CE3 3.97Å; N60-W81 HydrophobicContact CB-CG 4.28Å; N60-W81 HydrophobicContact CB-CH2 3.88Å; N60-W81 HydrophobicContact CB-CZ2 3.57Å; N60-W81 HydrophobicContact CB-CZ3 4.06Å; L61-W81 PolarHBondContact O-NE1 2.96Å; A62-W81 HydrophobicContact CB-CZ2 3.76Å; A77-W81 HydrophobicContact CB-CH2 4.45Å; A77-W81 HydrophobicContact CB-CZ2 4.44Å; A77-W81 PolarHBondContact O-N 3.5Å; T78-W81 PolarHBondContact O-N 3.49Å; R79-W81 VanDerWaalsContact C-N 3.29Å; R79-W81 PolarHBondContact O-N 3.49Å; W81-H100 HydrophobicContact CB-CB 3.71Å; W81-H100 AromaticContact CD1-CD2 3.99Å; W81-H100 AromaticContact CD1-CG 3.63Å; W81-H100 HydrophobicContact CG-CB 3.77Å; W81-F101 WeakPolarHBondContact O-CA 3.26Å; W81-F101 WeakPolarHBondContact O-CB 3.47Å; W81-F101 PolarHBondContact O-N 3.42Å; W81-L104 HydrophobicContact CB-CD1 4.1Å; W81-F114 HydrophobicContact CH2-CD1 4.41Å; W81-F114 HydrophobicContact CH2-CE1 4.49Å; W81-F114 HydrophobicContact CZ3-CD1 4.32Å; W81-F114 AromaticContact CZ3-CE1 3.99Å; W81-F114 HydrophobicContact CZ3-CE1 3.99Å; W81-I127 HydrophobicContact CH2-CG2 4.06Å; W81-I127 HydrophobicContact CZ2-CG2 4.37Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.44Å
82Y98.3Very high96.3Very high3 Ų356 Ų561%0.01226%0.264CS..Hα-helixtrans-69.9-34.4179.8-174-95.3000113.3L17 H21 T78 R79 E84 I85 F101 L104 I105 T154L17-Y82 HydrophobicContact CB-CD2 3.88Å; L17-Y82 HydrophobicContact CB-CE2 3.96Å; L17-Y82 HydrophobicContact CB-CG 4.45Å; L17-Y82 HydrophobicContact CD1-CD1 4.39Å; L17-Y82 HydrophobicContact CD1-CD2 3.96Å; L17-Y82 HydrophobicContact CD1-CG 3.77Å; L17-Y82 HydrophobicContact CD2-CD1 3.71Å; L17-Y82 HydrophobicContact CD2-CD2 3.97Å; L17-Y82 HydrophobicContact CD2-CE1 3.75Å; L17-Y82 HydrophobicContact CD2-CE2 4.01Å; L17-Y82 HydrophobicContact CD2-CG 3.82Å; L17-Y82 HydrophobicContact CG-CD2 4.16Å; L17-Y82 HydrophobicContact CG-CE2 4.44Å; L17-Y82 HydrophobicContact CG-CG 4.23Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.38Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.47Å; H21-Y82 AromaticContact NE2-CZ 3.47Å; H21-Y82 PolarHBondContact NE2-OH 3.26Å; T78-Y82 WeakPolarHBondContact O-CB 3.32Å; T78-Y82 PolarHBondContact O-N 3.34Å; R79-Y82 CarbonylContact O-C 3.5Å; R79-Y82 WeakPolarHBondContact O-CB 3.49Å; R79-Y82 PolarHBondContact O-N 3Å; Y82-E84 PolarHBondContact O-N 2.84Å; Y82-I85 HydrophobicContact CD1-CG2 4.34Å; Y82-I85 HydrophobicContact CE1-CD1 4.37Å; Y82-I85 HydrophobicContact CE1-CG2 4.13Å; Y82-I85 VanDerWaalsContact O-CB 3.3Å; Y82-I85 WeakPolarHBondContact O-CB 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.29Å; Y82-I85 PolarHBondContact O-N 3.02Å; Y82-F101 AromaticContact CD2-CD2 3.83Å; Y82-F101 HydrophobicContact CD2-CD2 3.83Å; Y82-F101 AromaticContact CD2-CE2 3.98Å; Y82-F101 HydrophobicContact CD2-CE2 3.98Å; Y82-F101 HydrophobicContact CE2-CD2 4.06Å; Y82-F101 AromaticContact CE2-CE2 3.7Å; Y82-F101 HydrophobicContact CE2-CE2 3.7Å; Y82-F101 HydrophobicContact CG-CD2 4.45Å; Y82-L104 HydrophobicContact CD2-CD2 4.1Å; Y82-I105 HydrophobicContact CD2-CG2 4.32Å; Y82-I105 HydrophobicContact CE2-CG2 4.09Å; Y82-T154 HydrophobicContact CE1-CG2 4.24Å
83D97.1Very high96.2Very high68 Ų6859.5 Ų59.536%0.36428%0.28SS..G310 helixtrans-59.4-18.2-178.7-72.9-15.8000112.8R79 I85 H86R79-D83 VanDerWaalsContact O-CG 3.22Å; R79-D83 PolarHBondContact O-N 3.04Å; D83-I85 PolarHBondContact O-N 3.41Å; D83-I85 VanDerWaalsContact O-N 3.09Å; D83-H86 PolarHBondContact O-CD2 3.08Å; D83-H86 PolarHBondContact O-N 3.1Å; D83-H86 VanDerWaalsContact O-N 3.15Å
84E97.6Very high96.1Very high31 Ų3160.8 Ų60.815%0.14528%0.279CS..G310 helixtrans-60.8-15.3170.5-59.6-177.6160.700113.9Y82 H86 Y87 H88 Q97 S98 G99 H100 F101Y82-E84 PolarHBondContact O-N 2.84Å; E84-H86 PolarHBondContact O-N 3.25Å; E84-H86 VanDerWaalsContact O-N 3.08Å; E84-Y87 PolarHBondContact O-N 3.15Å; E84-H88 PolarHBondContact O-N 3.42Å; E84-Q97 WeakPolarHBondContact CB-O 3.24Å; E84-S98 WeakPolarHBondContact OE2-CA 3.26Å; E84-G99 PolarHBondContact OE2-N 3.48Å; E84-H100 IonicContact OE1-CE1 2.73Å; E84-H100 IonicContact OE1-CG 2.94Å; E84-H100 IonicContact OE1-ND1 2.72Å; E84-H100 PolarHBondContact OE1-ND1 2.96Å; E84-H100 WeakPolarHBondContact OE2-CA 3.27Å; E84-H100 VanDerWaalsContact OE2-CB 3.25Å; E84-H100 WeakPolarHBondContact OE2-CB 3.37Å; E84-H100 IonicContact OE2-CG 3.41Å; E84-H100 PolarHBondContact OE2-N 3.18Å; E84-H100 IonicContact OE2-ND1 3.58Å; E84-F101 HydrophobicContact CB-CB 3.8Å; E84-F101 PolarHBondContact OE2-N 3.33Å
85I96.1Very high95.9Very high12 Ų1262 Ų626%0.06229%0.285CS..G310 helixtrans-49.9-32.5170.4-168.6172.8000112Y82 D83 Y87 H88 F90 F101 P148Y82-I85 HydrophobicContact CD1-CG2 4.34Å; Y82-I85 HydrophobicContact CE1-CD1 4.37Å; Y82-I85 HydrophobicContact CE1-CG2 4.13Å; Y82-I85 VanDerWaalsContact O-CB 3.3Å; Y82-I85 WeakPolarHBondContact O-CB 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.29Å; Y82-I85 PolarHBondContact O-N 3.02Å; D83-I85 PolarHBondContact O-N 3.41Å; D83-I85 VanDerWaalsContact O-N 3.09Å; I85-Y87 PolarHBondContact O-N 2.86Å; I85-H88 PolarHBondContact O-N 3.38Å; I85-H88 VanDerWaalsContact O-N 3.13Å; I85-F90 HydrophobicContact CD1-CZ 4.27Å; I85-F90 HydrophobicContact CG1-CZ 4.12Å; I85-F101 HydrophobicContact CB-CD2 3.84Å; I85-F101 HydrophobicContact CB-CE1 4.43Å; I85-F101 HydrophobicContact CB-CE2 3.73Å; I85-F101 HydrophobicContact CB-CG 4.24Å; I85-F101 HydrophobicContact CB-CZ 4.04Å; I85-F101 HydrophobicContact CD1-CE2 3.78Å; I85-F101 HydrophobicContact CD1-CZ 3.85Å; I85-F101 HydrophobicContact CG1-CD2 4.4Å; I85-F101 HydrophobicContact CG1-CE1 4.23Å; I85-F101 HydrophobicContact CG1-CE2 3.79Å; I85-F101 HydrophobicContact CG1-CZ 3.68Å; I85-P148 HydrophobicContact CD1-CG 4Å
86H94.1Very high95.6Very high100 Ų10066.4 Ų66.446%0.46332%0.315SS..G310 helixtrans-63.7-19.8179.1-63.5-49.6000113.7D83 E84D83-H86 PolarHBondContact O-CD2 3.08Å; D83-H86 PolarHBondContact O-N 3.1Å; D83-H86 VanDerWaalsContact O-N 3.15Å; E84-H86 PolarHBondContact O-N 3.25Å; E84-H86 VanDerWaalsContact O-N 3.08Å
87Y92.8Very high95.3Very high153 Ų15366 Ų6660%0.632%0.318SS*.G310 helixtrans-109.1-1.9177.7-48.9-69.7000113E84 I85 Q97E84-Y87 PolarHBondContact O-N 3.15Å; I85-Y87 PolarHBondContact O-N 2.86Å; Y87-Q97 PolarHBondContact O-NE2 2.6Å; Y87-Q97 VanDerWaalsContact O-NE2 3.16Å
88H95Very high95.2Very high17 Ų1765.9 Ų65.98%0.07932%0.317CS..  trans-84.9126.7-174-17169.2000112.4E84 I85 F90 Q95 S98 F101 T102E84-H88 PolarHBondContact O-N 3.42Å; I85-H88 PolarHBondContact O-N 3.38Å; I85-H88 VanDerWaalsContact O-N 3.13Å; H88-F90 AromaticContact CD2-CD1 3.72Å; H88-F90 AromaticContact CD2-CE1 3.8Å; H88-F90 AromaticContact CD2-CG 3.85Å; H88-F90 AromaticContact CD2-CZ 4Å; H88-Q95 PolarHBondContact CE1-NE2 2.99Å; H88-Q95 VanDerWaalsContact CE1-NE2 3.34Å; H88-Q95 PolarHBondContact ND1-NE2 2.8Å; H88-S98 PolarHBondContact ND1-OG 3.45Å; H88-F101 HydrophobicContact CB-CD1 4.03Å; H88-F101 HydrophobicContact CB-CE1 4.03Å; H88-F101 AromaticContact CD2-CE1 3.7Å; H88-F101 AromaticContact CG-CD1 3.91Å; H88-F101 AromaticContact CG-CE1 3.76Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.31Å
89N95.3Very high95.1Very high60 Ų6066.3 Ų66.332%0.32132%0.321SS..  trans-97.3110167.2-173.5-26.4000110.5N91 K92 Q95N89-N91 PolarHBondContact O-N 2.89Å; N89-N91 VanDerWaalsContact O-N 3.14Å; N89-N91 WeakPolarHBondContact OD1-CB 3.12Å; N89-N91 PolarHBondContact OD1-N 2.86Å; N89-K92 HydrophobicContact CB-CB 4.39Å; N89-K92 HydrophobicContact CB-CD 4.13Å; N89-K92 HydrophobicContact CB-CG 4.16Å; N89-K92 PolarHBondContact O-N 2.92Å; N89-K92 VanDerWaalsContact O-N 3.1Å; N89-Q95 VanDerWaalsContact N-OE1 3.08Å; N89-Q95 PolarHBondContact O-NE2 3.16Å
90F94.9Very high95.1Very high59 Ų5963.6 Ų63.626%0.25931%0.313SS..THydrogen-bonded Turntrans-64.1-14-179-68.4-85000114.7I85 H88 K92 F101 V145 P147I85-F90 HydrophobicContact CD1-CZ 4.27Å; I85-F90 HydrophobicContact CG1-CZ 4.12Å; H88-F90 AromaticContact CD2-CD1 3.72Å; H88-F90 AromaticContact CD2-CE1 3.8Å; H88-F90 AromaticContact CD2-CG 3.85Å; H88-F90 AromaticContact CD2-CZ 4Å; F90-K92 VanDerWaalsContact C-N 3.34Å; F90-F101 HydrophobicContact CE1-CE1 4.17Å; F90-F101 HydrophobicContact CE1-CZ 4.08Å; F90-F101 HydrophobicContact CZ-CE1 4.2Å; F90-F101 AromaticContact CZ-CZ 3.98Å; F90-F101 HydrophobicContact CZ-CZ 3.98Å; F90-V145 HydrophobicContact CD1-CG1 4.35Å; F90-V145 HydrophobicContact CE1-CG1 4.27Å; F90-P147 HydrophobicContact CD1-CB 4.13Å; F90-P147 HydrophobicContact CE1-CB 4.25Å; F90-P147 HydrophobicContact CG-CB 4.3Å
91N93.5Very high95.2Very high155 Ų15560.3 Ų60.383%0.82930%0.295SS*.THydrogen-bonded Turntrans-93.16.7177.1-60.1-45.1000112.8N89N89-N91 PolarHBondContact O-N 2.89Å; N89-N91 VanDerWaalsContact O-N 3.14Å; N89-N91 WeakPolarHBondContact OD1-CB 3.12Å; N89-N91 PolarHBondContact OD1-N 2.86Å
92K92.4Very high95.2Very high123 Ų12360 Ų6054%0.53529%0.294SS..SBendtrans-118.7160.5-178.7-67.7-171.2178.4-175.20111.2N89 F90N89-K92 HydrophobicContact CB-CB 4.39Å; N89-K92 HydrophobicContact CB-CD 4.13Å; N89-K92 HydrophobicContact CB-CG 4.16Å; N89-K92 PolarHBondContact O-N 2.92Å; N89-K92 VanDerWaalsContact O-N 3.1Å; F90-K92 VanDerWaalsContact C-N 3.34Å
93Q92.8Very high95.2Very high88 Ų8859.9 Ų59.941%0.41129%0.294SS..SBendtrans-73.8-161.1170-62.1-63.2-40.300110.5Q95 F141Q93-Q95 PolarHBondContact O-N 2.83Å; Q93-Q95 PolarHBondContact O-NE2 3.44Å; Q93-F141 HydrophobicContact CB-CD2 4.46Å; Q93-F141 VanDerWaalsContact OE1-CD2 3.25Å
94F93.2Very high95.3Very high97 Ų9756.7 Ų56.743%0.42528%0.277SS..  trans-47134.4179.5-177.9-100.4000112.7N136 F141F94-N136 HydrophobicContact CD2-CB 4.04Å; F94-N136 HydrophobicContact CE2-CB 4.25Å; F94-F141 HydrophobicContact CB-CE1 4.32Å; F94-F141 HydrophobicContact CB-CE2 3.84Å; F94-F141 HydrophobicContact CB-CZ 3.52Å; F94-F141 AromaticContact CD2-CZ 3.88Å; F94-F141 HydrophobicContact CD2-CZ 3.88Å; F94-F141 HydrophobicContact CG-CZ 4.2Å
95Q94.3Very high95.3Very high26 Ų2655.2 Ų55.212%0.12127%0.27CS..  trans-130.7124.9178.1-72.6158.287.300106.9H88 N89 Q93 Q97 S98 G99H88-Q95 PolarHBondContact CE1-NE2 2.99Å; H88-Q95 VanDerWaalsContact CE1-NE2 3.34Å; H88-Q95 PolarHBondContact ND1-NE2 2.8Å; N89-Q95 VanDerWaalsContact N-OE1 3.08Å; N89-Q95 PolarHBondContact O-NE2 3.16Å; Q93-Q95 PolarHBondContact O-N 2.83Å; Q93-Q95 PolarHBondContact O-NE2 3.44Å; Q95-Q97 HydrophobicContact CB-CG 4.47Å; Q95-Q97 PolarHBondContact O-N 2.82Å; Q95-S98 PolarHBondContact O-N 3Å; Q95-S98 PolarHBondContact O-OG 2.9Å; Q95-G99 PolarHBondContact O-N 3.34Å
96S91.9Very high95.4Very high111 Ų11154.8 Ų54.878%0.77627%0.267SS*.G310 helixtrans-58.1-33.2-176510000113.3S98S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.26Å
97Q92.5Very high95.6Very high104 Ų10454.6 Ų54.649%0.48627%0.265SS..G310 helixtrans-76.9-4.9-179.868.2-172.4-18.400115E84 Y87 Q95E84-Q97 WeakPolarHBondContact CB-O 3.24Å; Y87-Q97 PolarHBondContact O-NE2 2.6Å; Y87-Q97 VanDerWaalsContact O-NE2 3.16Å; Q95-Q97 HydrophobicContact CB-CG 4.47Å; Q95-Q97 PolarHBondContact O-N 2.82Å
98S95.8Very high95.9Very high0 Ų051.6 Ų51.60%026%0.259CS..G310 helixtrans-135.916.4-176.672.80000113.9E84 H88 Q95 S96 H100 F101 T102E84-S98 WeakPolarHBondContact OE2-CA 3.26Å; H88-S98 PolarHBondContact ND1-OG 3.45Å; Q95-S98 PolarHBondContact O-N 3Å; Q95-S98 PolarHBondContact O-OG 2.9Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.26Å; S98-H100 VanDerWaalsContact C-N 3.28Å; S98-H100 PolarHBondContact O-N 3.12Å; S98-F101 PolarHBondContact O-N 3.16Å; S98-T102 WeakPolarHBondContact O-CG2 3.43Å; S98-T102 PolarHBondContact O-N 2.87Å; S98-T102 PolarHBondContact O-OG1 3.07Å; S98-T102 VanDerWaalsContact O-OG1 3.08Å
99G96.6Very high96.1Very high8 Ų850.8 Ų50.88%0.08226%0.256CS..Hα-helixtrans-65.1-32-175.200000112.9E84 Q95 T102 Q103 N136E84-G99 PolarHBondContact OE2-N 3.48Å; Q95-G99 PolarHBondContact O-N 3.34Å; G99-T102 PolarHBondContact O-OG1 3.09Å; G99-Q103 WeakPolarHBondContact O-CB 3.49Å; G99-Q103 PolarHBondContact O-N 2.71Å; G99-N136 PolarHBondContact O-ND2 3.41Å
100H98.1Very high96.2Very high44 Ų4450.6 Ų50.620%0.20426%0.259CS..Hα-helixtrans-72.9-43.5178.1-56.1118.7000111N60 W81 E84 S98 Q103 L104N60-H100 PolarHBondContact ND2-O 3.33Å; N60-H100 WeakPolarHBondContact OD1-CA 3.21Å; W81-H100 HydrophobicContact CB-CB 3.71Å; W81-H100 AromaticContact CD1-CD2 3.99Å; W81-H100 AromaticContact CD1-CG 3.63Å; W81-H100 HydrophobicContact CG-CB 3.77Å; E84-H100 IonicContact OE1-CE1 2.73Å; E84-H100 IonicContact OE1-CG 2.94Å; E84-H100 IonicContact OE1-ND1 2.72Å; E84-H100 PolarHBondContact OE1-ND1 2.96Å; E84-H100 WeakPolarHBondContact OE2-CA 3.27Å; E84-H100 VanDerWaalsContact OE2-CB 3.25Å; E84-H100 WeakPolarHBondContact OE2-CB 3.37Å; E84-H100 IonicContact OE2-CG 3.41Å; E84-H100 PolarHBondContact OE2-N 3.18Å; E84-H100 IonicContact OE2-ND1 3.58Å; S98-H100 VanDerWaalsContact C-N 3.28Å; S98-H100 PolarHBondContact O-N 3.12Å; H100-Q103 PolarHBondContact O-N 2.96Å; H100-L104 WeakPolarHBondContact O-CB 3.38Å; H100-L104 PolarHBondContact O-N 3.16Å
101F98.4Very high96.4Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-58.1-51174.4161.6-105.6000111.4H21 W81 Y82 E84 I85 H88 F90 S98 Q103 L104 I105 V145H21-F101 AromaticContact CE1-CE2 3.85Å; H21-F101 AromaticContact CE1-CZ 3.68Å; H21-F101 AromaticContact NE2-CE2 3.81Å; W81-F101 WeakPolarHBondContact O-CA 3.26Å; W81-F101 WeakPolarHBondContact O-CB 3.47Å; W81-F101 PolarHBondContact O-N 3.42Å; Y82-F101 AromaticContact CD2-CD2 3.83Å; Y82-F101 HydrophobicContact CD2-CD2 3.83Å; Y82-F101 AromaticContact CD2-CE2 3.98Å; Y82-F101 HydrophobicContact CD2-CE2 3.98Å; Y82-F101 HydrophobicContact CE2-CD2 4.06Å; Y82-F101 AromaticContact CE2-CE2 3.7Å; Y82-F101 HydrophobicContact CE2-CE2 3.7Å; Y82-F101 HydrophobicContact CG-CD2 4.45Å; E84-F101 HydrophobicContact CB-CB 3.8Å; E84-F101 PolarHBondContact OE2-N 3.33Å; I85-F101 HydrophobicContact CB-CD2 3.84Å; I85-F101 HydrophobicContact CB-CE1 4.43Å; I85-F101 HydrophobicContact CB-CE2 3.73Å; I85-F101 HydrophobicContact CB-CG 4.24Å; I85-F101 HydrophobicContact CB-CZ 4.04Å; I85-F101 HydrophobicContact CD1-CE2 3.78Å; I85-F101 HydrophobicContact CD1-CZ 3.85Å; I85-F101 HydrophobicContact CG1-CD2 4.4Å; I85-F101 HydrophobicContact CG1-CE1 4.23Å; I85-F101 HydrophobicContact CG1-CE2 3.79Å; I85-F101 HydrophobicContact CG1-CZ 3.68Å; H88-F101 HydrophobicContact CB-CD1 4.03Å; H88-F101 HydrophobicContact CB-CE1 4.03Å; H88-F101 AromaticContact CD2-CE1 3.7Å; H88-F101 AromaticContact CG-CD1 3.91Å; H88-F101 AromaticContact CG-CE1 3.76Å; F90-F101 HydrophobicContact CE1-CE1 4.17Å; F90-F101 HydrophobicContact CE1-CZ 4.08Å; F90-F101 HydrophobicContact CZ-CE1 4.2Å; F90-F101 AromaticContact CZ-CZ 3.98Å; F90-F101 HydrophobicContact CZ-CZ 3.98Å; S98-F101 PolarHBondContact O-N 3.16Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 3.48Å; F101-L104 WeakPolarHBondContact O-CB 3.15Å; F101-L104 PolarHBondContact O-N 2.86Å; F101-L104 VanDerWaalsContact O-N 3.13Å; F101-I105 HydrophobicContact CD2-CG1 4.42Å; F101-I105 HydrophobicContact CD2-CG2 4.4Å; F101-I105 HydrophobicContact CE1-CD1 3.84Å; F101-I105 HydrophobicContact CE1-CG1 4.3Å; F101-I105 HydrophobicContact CE2-CD1 3.68Å; F101-I105 HydrophobicContact CE2-CG1 3.95Å; F101-I105 HydrophobicContact CE2-CG2 3.99Å; F101-I105 HydrophobicContact CZ-CD1 3.24Å; F101-I105 HydrophobicContact CZ-CG1 3.9Å; F101-I105 WeakPolarHBondContact O-CG1 3.29Å; F101-I105 PolarHBondContact O-N 3.01Å; F101-V145 HydrophobicContact CE1-CG1 4.08Å
102T98.2Very high96.7Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-65.5-35-176510000112.4H88 S98 G99 W106 N136 F141 V145H88-T102 WeakPolarHBondContact CE1-CG2 3.31Å; S98-T102 WeakPolarHBondContact O-CG2 3.43Å; S98-T102 PolarHBondContact O-N 2.87Å; S98-T102 PolarHBondContact O-OG1 3.07Å; S98-T102 VanDerWaalsContact O-OG1 3.08Å; G99-T102 PolarHBondContact O-OG1 3.09Å; T102-W106 WeakPolarHBondContact O-CA 3.44Å; T102-W106 WeakPolarHBondContact O-CB 3.48Å; T102-W106 PolarHBondContact O-N 3.07Å; T102-N136 VanDerWaalsContact CB-OD1 3.32Å; T102-N136 WeakPolarHBondContact CB-OD1 3.4Å; T102-N136 PolarHBondContact OG1-OD1 3.21Å; T102-F141 HydrophobicContact CG2-CD1 4.29Å; T102-F141 HydrophobicContact CG2-CE1 3.95Å; T102-V145 HydrophobicContact CG2-CG1 3.79Å; T102-V145 HydrophobicContact CG2-CG2 4.07Å
103Q98.5Very high97Very high2 Ų237.9 Ų37.91%0.00920%0.196CC..Hα-helixtrans-65.5-44.3171.9176.758.684.600112.1G58 N60 G99 H100 F101 I105 W106 T109 Y131 N136G58-Q103 VanDerWaalsContact CA-OE1 3.24Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.21Å; G99-Q103 WeakPolarHBondContact O-CB 3.49Å; G99-Q103 PolarHBondContact O-N 2.71Å; H100-Q103 PolarHBondContact O-N 2.96Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 3.48Å; Q103-I105 VanDerWaalsContact C-N 3.32Å; Q103-I105 PolarHBondContact O-N 3.32Å; Q103-W106 WeakPolarHBondContact O-CB 3.25Å; Q103-W106 PolarHBondContact O-N 3.18Å; Q103-T109 PolarHBondContact NE2-OG1 3.33Å; Q103-Y131 HydrophobicContact CG-CD1 4.31Å; Q103-Y131 HydrophobicContact CG-CD2 3.28Å; Q103-Y131 HydrophobicContact CG-CE1 4.5Å; Q103-Y131 HydrophobicContact CG-CE2 3.5Å; Q103-Y131 HydrophobicContact CG-CG 3.72Å; Q103-N136 PolarHBondContact N-OD1 3.26Å
104L98.6Very high97.2Very high0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-58.1-45.3-179.2-178.1161.9000111.2L17 R18 T78 W81 Y82 H100 F101L17-L104 HydrophobicContact CB-CD2 4.18Å; R18-L104 WeakPolarHBondContact CD-O 3.37Å; R18-L104 HydrophobicContact CG-CD2 4.37Å; R18-L104 WeakPolarHBondContact CG-O 3.45Å; R18-L104 PolarHBondContact NH1-O 2.83Å; T78-L104 HydrophobicContact CG2-CD1 3.71Å; T78-L104 WeakPolarHBondContact O-CD1 3.48Å; W81-L104 HydrophobicContact CB-CD1 4.1Å; Y82-L104 HydrophobicContact CD2-CD2 4.1Å; H100-L104 WeakPolarHBondContact O-CB 3.38Å; H100-L104 PolarHBondContact O-N 3.16Å; F101-L104 WeakPolarHBondContact O-CB 3.15Å; F101-L104 PolarHBondContact O-N 2.86Å; F101-L104 VanDerWaalsContact O-N 3.13Å
105I98.5Very high97.5Very high0 Ų029.1 Ų29.10%016%0.157CC..THydrogen-bonded Turntrans-92.96.9-179.768.2153.9000114.6H21 C23 Y82 F101 Q103 K107 V145H21-I105 HydrophobicContact CB-CD1 4.44Å; C23-I105 PolarHBondContact SG-O 2.68Å; Y82-I105 HydrophobicContact CD2-CG2 4.32Å; Y82-I105 HydrophobicContact CE2-CG2 4.09Å; F101-I105 HydrophobicContact CD2-CG1 4.42Å; F101-I105 HydrophobicContact CD2-CG2 4.4Å; F101-I105 HydrophobicContact CE1-CD1 3.84Å; F101-I105 HydrophobicContact CE1-CG1 4.3Å; F101-I105 HydrophobicContact CE2-CD1 3.68Å; F101-I105 HydrophobicContact CE2-CG1 3.95Å; F101-I105 HydrophobicContact CE2-CG2 3.99Å; F101-I105 HydrophobicContact CZ-CD1 3.24Å; F101-I105 HydrophobicContact CZ-CG1 3.9Å; F101-I105 WeakPolarHBondContact O-CG1 3.29Å; F101-I105 PolarHBondContact O-N 3.01Å; Q103-I105 VanDerWaalsContact C-N 3.32Å; Q103-I105 PolarHBondContact O-N 3.32Å; I105-K107 PolarHBondContact O-N 3.37Å; I105-V145 HydrophobicContact CD1-CB 4.47Å; I105-V145 HydrophobicContact CD1-CG1 3.64Å; I105-V145 HydrophobicContact CG1-CG1 4.21Å
106W98.7Very high97.7Very high3 Ų328.9 Ų28.91%0.01116%0.156CC..  trans-58.5114.2-176.7-162.2-98.7000111.3R18 T102 Q103 N108 T109 G135 N136 V137 Q140 F141 N144 V145R18-W106 PolarHBondContact NH1-O 2.9Å; R18-W106 PolarHBondContact NH2-O 3.22Å; R18-W106 VanDerWaalsContact NH2-O 3.16Å; T102-W106 WeakPolarHBondContact O-CA 3.44Å; T102-W106 WeakPolarHBondContact O-CB 3.48Å; T102-W106 PolarHBondContact O-N 3.07Å; Q103-W106 WeakPolarHBondContact O-CB 3.25Å; Q103-W106 PolarHBondContact O-N 3.18Å; W106-N108 VanDerWaalsContact C-N 3.34Å; W106-N108 PolarHBondContact O-N 2.78Å; W106-T109 WeakPolarHBondContact O-CB 3.45Å; W106-T109 PolarHBondContact O-N 2.81Å; W106-T109 VanDerWaalsContact O-N 3.14Å; W106-G135 VanDerWaalsContact CD2-CA 3.43Å; W106-G135 VanDerWaalsContact CG-CA 3.46Å; W106-N136 VanDerWaalsContact CE3-N 3.34Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; W106-V137 HydrophobicContact CZ2-CB 4.12Å; W106-V137 HydrophobicContact CZ2-CG2 4.48Å; W106-Q140 HydrophobicContact CH2-CB 3.97Å; W106-Q140 HydrophobicContact CZ2-CB 3.7Å; W106-F141 HydrophobicContact CH2-CD2 4.05Å; W106-F141 HydrophobicContact CH2-CE2 4.11Å; W106-F141 HydrophobicContact CH2-CG 4.32Å; W106-F141 HydrophobicContact CH2-CZ 4.4Å; W106-F141 HydrophobicContact CZ3-CD1 4.01Å; W106-F141 HydrophobicContact CZ3-CD2 4.19Å; W106-F141 AromaticContact CZ3-CE1 3.96Å; W106-F141 HydrophobicContact CZ3-CE1 3.96Å; W106-F141 HydrophobicContact CZ3-CE2 4.15Å; W106-F141 HydrophobicContact CZ3-CG 4.11Å; W106-F141 HydrophobicContact CZ3-CZ 4Å; W106-N144 WeakPolarHBondContact CA-O 3.37Å; W106-N144 HydrophobicContact CD2-CB 3.39Å; W106-N144 HydrophobicContact CE3-CB 3.73Å; W106-N144 HydrophobicContact CG-CB 3.91Å; W106-N144 HydrophobicContact CH2-CB 3.94Å; W106-N144 HydrophobicContact CZ2-CB 3.62Å; W106-N144 WeakPolarHBondContact CZ2-ND2 3.48Å; W106-N144 HydrophobicContact CZ3-CB 3.98Å; W106-N144 VanDerWaalsContact NE1-CG 3.34Å; W106-N144 PolarHBondContact NE1-OD1 2.96Å; W106-V145 HydrophobicContact CE3-CG2 3.66Å; W106-V145 HydrophobicContact CZ3-CG2 3.64Å
107K98.5Very high98Very high97 Ų9726.8 Ų26.842%0.42213%0.134SC..THydrogen-bonded Turntrans-57.4-44.3-169.2-170179.5178.9179.30112.9R18 I105 T109 E143 N144R18-K107 PolarHBondContact NH2-O 3.26Å; I105-K107 PolarHBondContact O-N 3.37Å; K107-T109 VanDerWaalsContact C-N 3.34Å; K107-E143 WeakPolarHBondContact CD-O 3.41Å; K107-N144 HydrophobicContact CB-CB 4.36Å; K107-N144 PolarHBondContact N-O 3.21Å
108N98.3Very high98.2Very high89 Ų8924.5 Ų24.548%0.47612%0.123SC..THydrogen-bonded Turntrans-77.5-15.7-177.7-71-12.6000113.9W106 S110 P133 N144W106-N108 VanDerWaalsContact C-N 3.34Å; W106-N108 PolarHBondContact O-N 2.78Å; N108-S110 PolarHBondContact O-N 2.77Å; N108-P133 WeakPolarHBondContact O-CD 3.38Å; N108-N144 WeakPolarHBondContact CB-OD1 3.25Å; N108-N144 PolarHBondContact N-OD1 2.89Å; N108-N144 PolarHBondContact ND2-OD1 2.98Å; N108-N144 PolarHBondContact OD1-OD1 3.48Å
109T98.7Very high98.1Very high1 Ų124.8 Ų24.81%0.00613%0.125CC..  trans-65.7130171.6-64.70000108.5R18 L26 Q103 W106 K107 Y131 P133R18-T109 PolarHBondContact NH2-O 3.29Å; R18-T109 VanDerWaalsContact NH2-O 3.17Å; L26-T109 HydrophobicContact CD2-CG2 3.73Å; L26-T109 WeakPolarHBondContact CD2-O 3.49Å; Q103-T109 PolarHBondContact NE2-OG1 3.33Å; W106-T109 WeakPolarHBondContact O-CB 3.45Å; W106-T109 PolarHBondContact O-N 2.81Å; W106-T109 VanDerWaalsContact O-N 3.14Å; K107-T109 VanDerWaalsContact C-N 3.34Å; T109-Y131 HydrophobicContact CG2-CD1 4.17Å; T109-Y131 HydrophobicContact CG2-CG 4.4Å; T109-P133 PolarHBondContact OG1-O 3.18Å
110S98.6Very high98Very high55 Ų5531.8 Ų31.839%0.38517%0.166SC..  trans-120.6-20.4-170.767.50000113.7K27 N108 E132K27-S110 PolarHBondContact N-O 2.93Å; N108-S110 PolarHBondContact O-N 2.77Å; S110-E132 PolarHBondContact N-O 3.44Å; S110-E132 PolarHBondContact OG-O 2.85Å
111K98.7Very high97.7Very high71 Ų7133.2 Ų33.231%0.30918%0.175SC..EExtended strand (participates in β ladder)trans-133.4150.3-178-60.8176-168.1168.50111.4K27 D29 L32 Y131 E132K27-K111 CarbonylContact O-C 3.58Å; K27-K111 WeakPolarHBondContact O-CA 3.42Å; D29-K111 HydrophobicContact CB-CB 4.04Å; D29-K111 HydrophobicContact CB-CD 4.13Å; D29-K111 IonicContact OD2-NZ 3.84Å; L32-K111 HydrophobicContact CD1-CB 4.1Å; K111-Y131 WeakPolarHBondContact O-CA 3.33Å; K111-E132 HydrophobicContact CB-CB 4.38Å; K111-E132 PolarHBondContact N-O 2.94Å; K111-E132 IonicContact NZ-OE1 3.29Å; K111-E132 PolarHBondContact NZ-OE1 2.92Å; K111-E132 PolarHBondContact O-N 3.48Å
112A98.8Very high97.5Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-147158.6170.700000112.9L26 K27 Y28 D29 F114 R130 Y131L26-A112 HydrophobicContact CD1-CB 3.91Å; K27-A112 PolarHBondContact O-N 3.29Å; Y28-A112 CarbonylContact C-O 3.58Å; Y28-A112 WeakPolarHBondContact CA-O 3.48Å; D29-A112 PolarHBondContact N-O 3.35Å; A112-F114 HydrophobicContact CB-CE2 4.06Å; A112-F114 HydrophobicContact CB-CZ 3.89Å; A112-R130 CarbonylContact C-O 3.55Å; A112-R130 WeakPolarHBondContact CA-O 3.4Å; A112-R130 WeakPolarHBondContact CB-O 3.44Å; A112-Y131 HydrophobicContact CB-CD1 3.91Å; A112-Y131 HydrophobicContact CB-CE1 4.18Å
113G98.7Very high97.4Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-152.6149170.400000111R130G113-R130 PolarHBondContact N-O 3.48Å; G113-R130 PolarHBondContact O-N 3.25Å
114F98.7Very high97.3Very high1 Ų138.7 Ų38.70%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-127.3150.6-169.3-52.1-86.4000111.6L6 N7 A10 H14 W81 A112 V128 G129 Y131L6-F114 HydrophobicContact CD2-CB 3.89Å; L6-F114 HydrophobicContact CG-CB 4.26Å; N7-F114 PolarHBondContact ND2-O 2.76Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.45Å; N7-F114 PolarHBondContact OD1-N 3.3Å; N7-F114 PolarHBondContact OD1-O 2.79Å; A10-F114 HydrophobicContact CB-CD1 4.01Å; A10-F114 HydrophobicContact CB-CD2 3.55Å; A10-F114 HydrophobicContact CB-CE1 4.09Å; A10-F114 HydrophobicContact CB-CE2 3.63Å; A10-F114 HydrophobicContact CB-CG 3.76Å; A10-F114 HydrophobicContact CB-CZ 3.9Å; H14-F114 AromaticContact CE1-CE1 3.45Å; H14-F114 VanDerWaalsContact CE1-CE1 3.45Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.15Å; H14-F114 AromaticContact CE1-CZ 3.42Å; H14-F114 VanDerWaalsContact CE1-CZ 3.42Å; H14-F114 WeakPolarHBondContact CE1-CZ 3.33Å; H14-F114 AromaticContact ND1-CZ 3.71Å; H14-F114 AromaticContact NE2-CE1 3.75Å; H14-F114 AromaticContact NE2-CZ 3.71Å; W81-F114 HydrophobicContact CH2-CD1 4.41Å; W81-F114 HydrophobicContact CH2-CE1 4.49Å; W81-F114 HydrophobicContact CZ3-CD1 4.32Å; W81-F114 AromaticContact CZ3-CE1 3.99Å; W81-F114 HydrophobicContact CZ3-CE1 3.99Å; A112-F114 HydrophobicContact CB-CE2 4.06Å; A112-F114 HydrophobicContact CB-CZ 3.89Å; F114-V128 CarbonylContact C-O 3.59Å; F114-V128 VanDerWaalsContact CA-O 3.24Å; F114-V128 WeakPolarHBondContact CA-O 3.47Å; F114-G129 VanDerWaalsContact CD1-CA 3.46Å; F114-Y131 HydrophobicContact CE1-CE1 4.49Å
115G98.5Very high97.2Very high0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-136.3151.1175.300000111.3I127 V128G115-I127 VanDerWaalsContact O-CA 3.29Å; G115-I127 WeakPolarHBondContact O-CA 3.4Å; G115-V128 PolarHBondContact N-O 3.28Å; G115-V128 PolarHBondContact O-N 3.13Å
116I98.3Very high97.2Very high21 Ų2138.7 Ų38.711%0.10821%0.206CC..EExtended strand (participates in β ladder)trans-135.9139.5-179.2-172.3167.9000110.3D3 L6 Q37 V125 F126 I127D3-I116 HydrophobicContact CB-CG2 3.76Å; L6-I116 HydrophobicContact CD1-CB 4.19Å; L6-I116 HydrophobicContact CD1-CD1 4.17Å; L6-I116 HydrophobicContact CD2-CB 3.68Å; L6-I116 HydrophobicContact CD2-CG2 3.77Å; L6-I116 HydrophobicContact CG-CB 4.49Å; Q37-I116 PolarHBondContact NE2-O 3.05Å; Q37-I116 PolarHBondContact OE1-O 3.5Å; I116-V125 HydrophobicContact CD1-CG2 3.68Å; I116-V125 HydrophobicContact CG1-CG2 3.57Å; I116-F126 CarbonylContact C-O 3.6Å; I116-F126 VanDerWaalsContact CA-O 3.28Å; I116-F126 WeakPolarHBondContact CA-O 3.25Å; I116-I127 HydrophobicContact CB-CG1 4.05Å; I116-I127 HydrophobicContact CD1-CD1 3.97Å; I116-I127 HydrophobicContact CD1-CG1 3.89Å; I116-I127 HydrophobicContact CG1-CD1 4.37Å; I116-I127 HydrophobicContact CG1-CG1 3.73Å
117Q97.8Very high97.1Very high66 Ų6638.7 Ų38.731%0.30821%0.206SC..EExtended strand (participates in β ladder)trans-146.7135.2171.5-175.465.543.700111.2A40 E41 A44 F126A40-Q117 VanDerWaalsContact C-CB 3.47Å; A40-Q117 HydrophobicContact CB-CB 3.86Å; A40-Q117 WeakPolarHBondContact O-CB 3.09Å; E41-Q117 HydrophobicContact CG-CG 4.35Å; A44-Q117 HydrophobicContact CB-CB 3.9Å; A44-Q117 HydrophobicContact CB-CG 3.34Å; Q117-F126 PolarHBondContact N-O 2.97Å; Q117-F126 PolarHBondContact O-N 2.73Å
118H96.4Very high97.1Very high56 Ų5634 Ų3426%0.25919%0.185SC..EExtended strand (participates in β ladder)trans-86.6146.3167.3-64.577000111.5A70 H124A70-H118 PolarHBondContact O-CD2 3.02Å; A70-H118 PolarHBondContact O-NE2 3.15Å; H118-H124 CarbonylContact C-O 3.58Å; H118-H124 VanDerWaalsContact CA-O 3.25Å; H118-H124 WeakPolarHBondContact CA-O 3.41Å
119S95Very high97.1Very high6 Ų629.8 Ų29.84%0.04216%0.163CC..  trans-57.7159.4163.453.30000110.7D121 G122 H124S119-D121 WeakPolarHBondContact CB-OD1 3.34Å; S119-D121 PolarHBondContact O-N 3.35Å; S119-D121 PolarHBondContact OG-OD1 3.04Å; S119-G122 WeakPolarHBondContact O-CA 3.45Å; S119-G122 PolarHBondContact O-N 3.49Å; S119-H124 PolarHBondContact N-O 2.91Å; S119-H124 WeakPolarHBondContact OG-CB 3.47Å; S119-H124 PolarHBondContact OG-N 3.36Å; S119-H124 PolarHBondContact OG-O 3.45Å
120V93.3Very high97.1Very high156 Ų15629.9 Ų29.995%0.94516%0.163SC*.THydrogen-bonded Turntrans-56-37.1-178.7176.70000112.4G122V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 2.96Å
121D93.1Very high97.1Very high74 Ų7427.3 Ų27.340%0.39615%0.145SC..THydrogen-bonded Turntrans-78.3-6.6177.353.133.4000113.6K47 S119 H123K47-D121 IonicContact NZ-OD2 3.54Å; K47-D121 PolarHBondContact NZ-OD2 3.26Å; S119-D121 WeakPolarHBondContact CB-OD1 3.34Å; S119-D121 PolarHBondContact O-N 3.35Å; S119-D121 PolarHBondContact OG-OD1 3.04Å; D121-H123 PolarHBondContact O-CD2 2.88Å; D121-H123 PolarHBondContact O-N 2.67Å; D121-H123 PolarHBondContact OD1-N 2.77Å; D121-H123 VanDerWaalsContact OD1-N 3.08Å
122G94.6Very high97.1Very high18 Ų1826 Ų2619%0.18614%0.14CC..SBendtrans72.8-2.9-179.200000115.2A70 S119 V120A70-G122 PolarHBondContact N-O 2.87Å; S119-G122 WeakPolarHBondContact O-CA 3.45Å; S119-G122 PolarHBondContact O-N 3.49Å; V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 2.96Å
123H95.3Very high97Very high78 Ų7829 Ų2936%0.36116%0.159SC..SBendtrans-85.2-6.4-174-66.3-49.5000114.2Q65 S66 T67 G68 D121Q65-H123 CarbonylContact C-O 3.57Å; Q65-H123 VanDerWaalsContact CA-O 3.26Å; Q65-H123 WeakPolarHBondContact CA-O 3.32Å; S66-H123 PolarHBondContact N-O 2.99Å; S66-H123 WeakPolarHBondContact O-CB 3.3Å; S66-H123 PolarHBondContact O-ND1 3.01Å; T67-H123 PolarHBondContact O-CE1 3.34Å; T67-H123 PolarHBondContact O-ND1 3.04Å; G68-H123 PolarHBondContact O-ND1 3.09Å; D121-H123 PolarHBondContact O-CD2 2.88Å; D121-H123 PolarHBondContact O-N 2.67Å; D121-H123 PolarHBondContact OD1-N 2.77Å; D121-H123 VanDerWaalsContact OD1-N 3.08Å
124H95.8Very high96.9Very high20 Ų2031 Ų319%0.09317%0.172CC..EExtended strand (participates in β ladder)trans-134.5135.7176.6-159.6169.6000109.1S63 A64 Q65 H118 S119 F126S63-H124 WeakPolarHBondContact CB-NE2 3.48Å; A64-H124 CarbonylContact O-C 3.52Å; A64-H124 WeakPolarHBondContact O-CA 3.5Å; A64-H124 PolarHBondContact O-CD2 2.92Å; Q65-H124 HydrophobicContact CG-CB 4.18Å; Q65-H124 VanDerWaalsContact CG-CD2 3.47Å; Q65-H124 WeakPolarHBondContact CG-CD2 3.21Å; Q65-H124 PolarHBondContact NE2-CE1 3.3Å; Q65-H124 PolarHBondContact NE2-ND1 3.06Å; H118-H124 CarbonylContact C-O 3.58Å; H118-H124 VanDerWaalsContact CA-O 3.25Å; H118-H124 WeakPolarHBondContact CA-O 3.41Å; S119-H124 PolarHBondContact N-O 2.91Å; S119-H124 WeakPolarHBondContact OG-CB 3.47Å; S119-H124 PolarHBondContact OG-N 3.36Å; S119-H124 PolarHBondContact OG-O 3.45Å; H124-F126 HydrophobicContact CB-CE2 3.93Å; H124-F126 HydrophobicContact CB-CZ 4.41Å; H124-F126 AromaticContact CD2-CE2 3.77Å; H124-F126 AromaticContact CD2-CZ 3.77Å; H124-F126 AromaticContact CE1-CE1 3.47Å; H124-F126 VanDerWaalsContact CE1-CE1 3.47Å; H124-F126 WeakPolarHBondContact CE1-CE1 3.23Å; H124-F126 AromaticContact CE1-CE2 3.89Å; H124-F126 AromaticContact CE1-CZ 3.13Å; H124-F126 WeakPolarHBondContact CE1-CZ 3.44Å; H124-F126 AromaticContact CG-CE2 3.49Å; H124-F126 VanDerWaalsContact CG-CE2 3.49Å; H124-F126 AromaticContact CG-CZ 3.55Å; H124-F126 AromaticContact ND1-CE1 3.98Å; H124-F126 AromaticContact ND1-CE2 3.58Å; H124-F126 AromaticContact ND1-CZ 3.15Å; H124-F126 WeakPolarHBondContact ND1-CZ 3.11Å; H124-F126 AromaticContact NE2-CE1 3.67Å; H124-F126 AromaticContact NE2-CZ 3.57Å
125V96.8Very high96.8Very high1 Ų131.4 Ų31.41%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-120.8141.5172.465.10000110S63 A64 A70 M72 I116S63-V125 CarbonylContact C-O 3.59Å; S63-V125 WeakPolarHBondContact CA-O 3.45Å; S63-V125 VanDerWaalsContact CB-O 3.23Å; S63-V125 WeakPolarHBondContact CB-O 3.48Å; A64-V125 HydrophobicContact CB-CG1 3.7Å; A64-V125 PolarHBondContact N-O 2.77Å; A64-V125 PolarHBondContact O-N 3.03Å; A70-V125 HydrophobicContact CB-CB 4.05Å; A70-V125 HydrophobicContact CB-CG1 3.91Å; M72-V125 HydrophobicContact CB-CG1 3.6Å; I116-V125 HydrophobicContact CD1-CG2 3.68Å; I116-V125 HydrophobicContact CG1-CG2 3.57Å
126F97.7Very high96.7Very high0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-124.3130.7-179.9-59.1-98.3000108.8L43 A44 I48 M49 A62 I116 Q117 H124L43-F126 HydrophobicContact CB-CB 4.15Å; L43-F126 HydrophobicContact CB-CD1 3.67Å; L43-F126 HydrophobicContact CB-CE1 4.22Å; L43-F126 HydrophobicContact CB-CG 3.97Å; L43-F126 HydrophobicContact CD1-CD1 4.5Å; A44-F126 VanDerWaalsContact CA-CE2 3.46Å; A44-F126 HydrophobicContact CB-CD2 3.71Å; A44-F126 HydrophobicContact CB-CE2 3.99Å; I48-F126 WeakPolarHBondContact O-CE1 3.28Å; M49-F126 HydrophobicContact CG-CE1 4.38Å; M49-F126 HydrophobicContact SD-CD1 3.67Å; M49-F126 HydrophobicContact SD-CE1 4.06Å; A62-F126 CarbonylContact O-C 3.49Å; I116-F126 CarbonylContact C-O 3.6Å; I116-F126 VanDerWaalsContact CA-O 3.28Å; I116-F126 WeakPolarHBondContact CA-O 3.25Å; Q117-F126 PolarHBondContact N-O 2.97Å; Q117-F126 PolarHBondContact O-N 2.73Å; H124-F126 HydrophobicContact CB-CE2 3.93Å; H124-F126 HydrophobicContact CB-CZ 4.41Å; H124-F126 AromaticContact CD2-CE2 3.77Å; H124-F126 AromaticContact CD2-CZ 3.77Å; H124-F126 AromaticContact CE1-CE1 3.47Å; H124-F126 VanDerWaalsContact CE1-CE1 3.47Å; H124-F126 WeakPolarHBondContact CE1-CE1 3.23Å; H124-F126 AromaticContact CE1-CE2 3.89Å; H124-F126 AromaticContact CE1-CZ 3.13Å; H124-F126 WeakPolarHBondContact CE1-CZ 3.44Å; H124-F126 AromaticContact CG-CE2 3.49Å; H124-F126 VanDerWaalsContact CG-CE2 3.49Å; H124-F126 AromaticContact CG-CZ 3.55Å; H124-F126 AromaticContact ND1-CE1 3.98Å; H124-F126 AromaticContact ND1-CE2 3.58Å; H124-F126 AromaticContact ND1-CZ 3.15Å; H124-F126 WeakPolarHBondContact ND1-CZ 3.11Å; H124-F126 AromaticContact NE2-CE1 3.67Å; H124-F126 AromaticContact NE2-CZ 3.57Å
127I98.1Very high96.5Very high2 Ų234.8 Ų34.81%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-120.7136.1173.9-68.4176.1000108.9L6 L61 A62 M72 A77 W81 G115 I116L6-I127 HydrophobicContact CD1-CD1 3.79Å; L6-I127 HydrophobicContact CD1-CG1 4.28Å; L61-I127 WeakPolarHBondContact CA-O 3.46Å; A62-I127 HydrophobicContact CB-CB 4.33Å; A62-I127 PolarHBondContact N-O 3.24Å; A62-I127 PolarHBondContact O-N 3.42Å; M72-I127 HydrophobicContact CB-CD1 3.85Å; M72-I127 HydrophobicContact CG-CD1 3.32Å; M72-I127 HydrophobicContact CG-CG1 4.36Å; A77-I127 HydrophobicContact CB-CB 4.49Å; A77-I127 HydrophobicContact CB-CD1 3.86Å; A77-I127 HydrophobicContact CB-CG2 4.17Å; W81-I127 HydrophobicContact CH2-CG2 4.06Å; W81-I127 HydrophobicContact CZ2-CG2 4.37Å; G115-I127 VanDerWaalsContact O-CA 3.29Å; G115-I127 WeakPolarHBondContact O-CA 3.4Å; I116-I127 HydrophobicContact CB-CG1 4.05Å; I116-I127 HydrophobicContact CD1-CD1 3.97Å; I116-I127 HydrophobicContact CD1-CG1 3.89Å; I116-I127 HydrophobicContact CG1-CD1 4.37Å; I116-I127 HydrophobicContact CG1-CG1 3.73Å
128V98.2Very high96.3Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-120129.3174.9-177.90000108A36 W39 A40 L43 E59 N60 L61 F114 G115 R130A36-V128 HydrophobicContact CB-CB 4.13Å; A36-V128 HydrophobicContact CB-CG1 4.02Å; W39-V128 HydrophobicContact CB-CG1 4.34Å; W39-V128 HydrophobicContact CB-CG2 4.18Å; W39-V128 HydrophobicContact CG-CG2 4.3Å; A40-V128 HydrophobicContact CB-CG2 3.91Å; L43-V128 HydrophobicContact CD1-CG2 3.66Å; E59-V128 HydrophobicContact CG-CG1 4.09Å; E59-V128 WeakPolarHBondContact OE2-CG1 3.41Å; N60-V128 WeakPolarHBondContact O-CA 3.3Å; L61-V128 HydrophobicContact CD2-CB 4.22Å; L61-V128 HydrophobicContact CD2-CG1 4.01Å; L61-V128 HydrophobicContact CD2-CG2 3.74Å; F114-V128 CarbonylContact C-O 3.59Å; F114-V128 VanDerWaalsContact CA-O 3.24Å; F114-V128 WeakPolarHBondContact CA-O 3.47Å; G115-V128 PolarHBondContact N-O 3.28Å; G115-V128 PolarHBondContact O-N 3.13Å; V128-R130 HydrophobicContact CG1-CG 4.39Å
129G98.5Very high96.3Very high0 Ų037.7 Ų37.70%023%0.231CC..EExtended strand (participates in β ladder)trans-106.9136.2165.400000110.4E59 N60 F114E59-G129 VanDerWaalsContact CA-O 3.26Å; E59-G129 WeakPolarHBondContact CA-O 3.43Å; N60-G129 PolarHBondContact N-O 2.98Å; N60-G129 PolarHBondContact O-N 3.13Å; F114-G129 VanDerWaalsContact CD1-CA 3.46Å
130R98.3Very high96.3Very high3 Ų340.9 Ų40.91%0.01125%0.245CC..EExtended strand (participates in β ladder)trans-118.2141175.2-69.4-68.4-172.7-169.5-0.2110.2L32 A36 S52 G58 E59 A112 G113 V128L32-R130 HydrophobicContact CB-CB 3.97Å; L32-R130 HydrophobicContact CD2-CB 4.25Å; A36-R130 HydrophobicContact CB-CB 4.41Å; A36-R130 HydrophobicContact CB-CG 3.71Å; S52-R130 VanDerWaalsContact OG-CZ 3.25Å; S52-R130 PolarHBondContact OG-NH1 2.88Å; S52-R130 PolarHBondContact OG-NH2 3.2Å; G58-R130 WeakPolarHBondContact O-CA 3.39Å; E59-R130 VanDerWaalsContact CD-CZ 3.43Å; E59-R130 IonicContact OE1-NH1 3.94Å; E59-R130 IonicContact OE2-CZ 2.68Å; E59-R130 IonicContact OE2-NE 3.75Å; E59-R130 IonicContact OE2-NH1 3.5Å; E59-R130 PolarHBondContact OE2-NH1 2.8Å; E59-R130 IonicContact OE2-NH2 3.84Å; E59-R130 PolarHBondContact OE2-NH2 2.85Å; A112-R130 CarbonylContact C-O 3.55Å; A112-R130 WeakPolarHBondContact CA-O 3.4Å; A112-R130 WeakPolarHBondContact CB-O 3.44Å; G113-R130 PolarHBondContact N-O 3.48Å; G113-R130 PolarHBondContact O-N 3.25Å; V128-R130 HydrophobicContact CG1-CG 4.39Å
131Y98.5Very high96.5Very high0 Ų033.8 Ų33.80%020%0.201CC..EExtended strand (participates in β ladder)trans-132.7138.4-170.3-56.8-84000111.9H14 L26 Y57 G58 N60 W81 Q103 T109 K111 A112 F114H14-Y131 AromaticContact CD2-CE1 3.92Å; H14-Y131 AromaticContact NE2-CE1 3.65Å; H14-Y131 AromaticContact NE2-CZ 3.8Å; H14-Y131 PolarHBondContact NE2-OH 3.42Å; L26-Y131 HydrophobicContact CD1-CD1 4.38Å; L26-Y131 HydrophobicContact CD1-CE1 4.44Å; Y57-Y131 CarbonylContact C-O 3.59Å; Y57-Y131 WeakPolarHBondContact CA-O 3.17Å; Y57-Y131 WeakPolarHBondContact CB-O 3.03Å; G58-Y131 PolarHBondContact N-O 3.05Å; G58-Y131 PolarHBondContact O-N 3.36Å; G58-Y131 VanDerWaalsContact O-N 3.09Å; N60-Y131 HydrophobicContact CB-CE2 3.86Å; N60-Y131 PolarHBondContact ND2-OH 2.88Å; N60-Y131 VanDerWaalsContact ND2-OH 3.15Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.44Å; Q103-Y131 HydrophobicContact CG-CD1 4.31Å; Q103-Y131 HydrophobicContact CG-CD2 3.28Å; Q103-Y131 HydrophobicContact CG-CE1 4.5Å; Q103-Y131 HydrophobicContact CG-CE2 3.5Å; Q103-Y131 HydrophobicContact CG-CG 3.72Å; T109-Y131 HydrophobicContact CG2-CD1 4.17Å; T109-Y131 HydrophobicContact CG2-CG 4.4Å; K111-Y131 WeakPolarHBondContact O-CA 3.33Å; A112-Y131 HydrophobicContact CB-CD1 3.91Å; A112-Y131 HydrophobicContact CB-CE1 4.18Å; F114-Y131 HydrophobicContact CE1-CE1 4.49Å
132E97.9Very high96.6Very high45 Ų4537.4 Ų37.421%0.2122%0.22CC..EExtended strand (participates in β ladder)trans-138132.6177.7-176.4177.6100.200112.4R31 L32 S110 K111R31-E132 IonicContact CZ-OE2 2.78Å; R31-E132 IonicContact NH2-OE1 2.99Å; R31-E132 IonicContact NH2-OE2 3.73Å; R31-E132 PolarHBondContact NH2-OE2 3.1Å; L32-E132 HydrophobicContact CD1-CB 3.82Å; S110-E132 PolarHBondContact N-O 3.44Å; S110-E132 PolarHBondContact OG-O 2.85Å; K111-E132 HydrophobicContact CB-CB 4.38Å; K111-E132 PolarHBondContact N-O 2.94Å; K111-E132 IonicContact NZ-OE1 3.29Å; K111-E132 PolarHBondContact NZ-OE1 2.92Å; K111-E132 PolarHBondContact O-N 3.48Å
133P97.4Very high96.7Very high61 Ų6141.7 Ų41.740%0.39624%0.235SC..SBendcis-56.8159.5-15.7-24.335000113N108 T109N108-P133 WeakPolarHBondContact O-CD 3.38Å; T109-P133 PolarHBondContact OG1-O 3.18Å
134P96.8Very high96.8Very high43 Ų4338 Ų3828%0.27922%0.218SC..  trans-58.3143.4173.923.7-33.1000111.6
135G96.9Very high96.9Very high9 Ų937.3 Ų37.39%0.09322%0.215CC..  trans-93-163.8169.300000112.2W106 V137W106-G135 VanDerWaalsContact CD2-CA 3.43Å; W106-G135 VanDerWaalsContact CG-CA 3.46Å; G135-V137 PolarHBondContact O-N 3.38Å; G135-V137 VanDerWaalsContact O-N 3.16Å
136N96.5Very high96.9Very high39 Ų3938.7 Ų38.721%0.20922%0.224CC..  trans57.628176.5-61.5-16.8000114.4F94 G99 T102 Q103 W106 N138 F141F94-N136 HydrophobicContact CD2-CB 4.04Å; F94-N136 HydrophobicContact CE2-CB 4.25Å; G99-N136 PolarHBondContact O-ND2 3.41Å; T102-N136 VanDerWaalsContact CB-OD1 3.32Å; T102-N136 WeakPolarHBondContact CB-OD1 3.4Å; T102-N136 PolarHBondContact OG1-OD1 3.21Å; Q103-N136 PolarHBondContact N-OD1 3.26Å; W106-N136 VanDerWaalsContact CE3-N 3.34Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; N136-N138 PolarHBondContact O-N 3.26Å; N136-F141 HydrophobicContact CB-CZ 4.22Å
137V94.3Very high96.8Very high54 Ų5442.5 Ų42.533%0.32725%0.249SC..  trans-76.9121.4176.6-176.80000109.3W106 G135 G139 Q140 F141W106-V137 HydrophobicContact CZ2-CB 4.12Å; W106-V137 HydrophobicContact CZ2-CG2 4.48Å; G135-V137 PolarHBondContact O-N 3.38Å; G135-V137 VanDerWaalsContact O-N 3.16Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-Q140 HydrophobicContact CB-CB 4.31Å; V137-Q140 HydrophobicContact CB-CG 4.33Å; V137-Q140 HydrophobicContact CG1-CG 4.16Å; V137-Q140 PolarHBondContact O-N 2.96Å; V137-Q140 VanDerWaalsContact O-N 3.11Å; V137-F141 WeakPolarHBondContact O-CD2 3.46Å; V137-F141 WeakPolarHBondContact O-CE2 3.2Å
138N92.9Very high96.7Very high122 Ų12243.5 Ų43.565%0.65226%0.256SS*.THydrogen-bonded Turntrans-56.7134.7177.2-78-28.9000111.1N136 Q140N136-N138 PolarHBondContact O-N 3.26Å; N138-Q140 VanDerWaalsContact C-N 3.34Å
139G95.3Very high96.4Very high61 Ų6148.5 Ų48.563%0.62928%0.281SS*.THydrogen-bonded Turntrans90.5-11.9-176.900000114.4V137V137-G139 PolarHBondContact O-N 2.88Å
140Q96.6Very high95.6Very high73 Ų7355.9 Ų55.934%0.34132%0.316SS..  trans-111.29.1-175.1-64.1-176.48.800114.1W106 V137 N138 E143 N144W106-Q140 HydrophobicContact CH2-CB 3.97Å; W106-Q140 HydrophobicContact CZ2-CB 3.7Å; V137-Q140 HydrophobicContact CB-CB 4.31Å; V137-Q140 HydrophobicContact CB-CG 4.33Å; V137-Q140 HydrophobicContact CG1-CG 4.16Å; V137-Q140 PolarHBondContact O-N 2.96Å; V137-Q140 VanDerWaalsContact O-N 3.11Å; N138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-E143 HydrophobicContact CB-CG 4.32Å; Q140-E143 WeakPolarHBondContact O-CG 3.33Å; Q140-N144 WeakPolarHBondContact O-CB 3.18Å; Q140-N144 PolarHBondContact O-N 3.3Å; Q140-N144 PolarHBondContact O-ND2 2.97Å
141F96.9Very high94.1Very high6 Ų658.9 Ų58.93%0.02635%0.347CS..Hα-helixtrans-66.4-40.9-176-80.4-102.7000113.1Q93 F94 T102 W106 N136 V137 E143 N144 V145Q93-F141 HydrophobicContact CB-CD2 4.46Å; Q93-F141 VanDerWaalsContact OE1-CD2 3.25Å; F94-F141 HydrophobicContact CB-CE1 4.32Å; F94-F141 HydrophobicContact CB-CE2 3.84Å; F94-F141 HydrophobicContact CB-CZ 3.52Å; F94-F141 AromaticContact CD2-CZ 3.88Å; F94-F141 HydrophobicContact CD2-CZ 3.88Å; F94-F141 HydrophobicContact CG-CZ 4.2Å; T102-F141 HydrophobicContact CG2-CD1 4.29Å; T102-F141 HydrophobicContact CG2-CE1 3.95Å; W106-F141 HydrophobicContact CH2-CD2 4.05Å; W106-F141 HydrophobicContact CH2-CE2 4.11Å; W106-F141 HydrophobicContact CH2-CG 4.32Å; W106-F141 HydrophobicContact CH2-CZ 4.4Å; W106-F141 HydrophobicContact CZ3-CD1 4.01Å; W106-F141 HydrophobicContact CZ3-CD2 4.19Å; W106-F141 AromaticContact CZ3-CE1 3.96Å; W106-F141 HydrophobicContact CZ3-CE1 3.96Å; W106-F141 HydrophobicContact CZ3-CE2 4.15Å; W106-F141 HydrophobicContact CZ3-CG 4.11Å; W106-F141 HydrophobicContact CZ3-CZ 4Å; N136-F141 HydrophobicContact CB-CZ 4.22Å; V137-F141 WeakPolarHBondContact O-CD2 3.46Å; V137-F141 WeakPolarHBondContact O-CE2 3.2Å; F141-E143 VanDerWaalsContact C-N 3.28Å; F141-E143 PolarHBondContact O-N 3.32Å; F141-N144 PolarHBondContact O-N 3.13Å; F141-V145 HydrophobicContact CB-CG2 4.49Å; F141-V145 HydrophobicContact CD1-CG2 3.83Å; F141-V145 HydrophobicContact CE1-CG2 4.45Å; F141-V145 HydrophobicContact CG-CG2 4.47Å; F141-V145 WeakPolarHBondContact O-CB 3.4Å; F141-V145 PolarHBondContact O-N 2.85Å
142L94.5Very high91.9Very high150 Ų15065.6 Ų65.679%0.78538%0.378SS*.Hα-helixtrans-60.6-38.2-176.1-178.461.9000112.6
143E96.6Very high89.4Confident108 Ų10867 Ų6751%0.50539%0.393SS..Hα-helixtrans-83.9-24.6-179.750.8166.8-137.500113.3K107 Q140 F141K107-E143 WeakPolarHBondContact CD-O 3.41Å; Q140-E143 HydrophobicContact CB-CG 4.32Å; Q140-E143 WeakPolarHBondContact O-CG 3.33Å; F141-E143 VanDerWaalsContact C-N 3.28Å; F141-E143 PolarHBondContact O-N 3.32Å
144N98.3Very high86.9Confident0 Ų065.8 Ų65.80%039%0.385CS..Hα-helixtrans-108.6-14.2-172.1-74-73.3000115.5W106 K107 N108 Q140 F141 P146W106-N144 WeakPolarHBondContact CA-O 3.37Å; W106-N144 HydrophobicContact CD2-CB 3.39Å; W106-N144 HydrophobicContact CE3-CB 3.73Å; W106-N144 HydrophobicContact CG-CB 3.91Å; W106-N144 HydrophobicContact CH2-CB 3.94Å; W106-N144 HydrophobicContact CZ2-CB 3.62Å; W106-N144 WeakPolarHBondContact CZ2-ND2 3.48Å; W106-N144 HydrophobicContact CZ3-CB 3.98Å; W106-N144 VanDerWaalsContact NE1-CG 3.34Å; W106-N144 PolarHBondContact NE1-OD1 2.96Å; K107-N144 HydrophobicContact CB-CB 4.36Å; K107-N144 PolarHBondContact N-O 3.21Å; N108-N144 WeakPolarHBondContact CB-OD1 3.25Å; N108-N144 PolarHBondContact N-OD1 2.89Å; N108-N144 PolarHBondContact ND2-OD1 2.98Å; N108-N144 PolarHBondContact OD1-OD1 3.48Å; Q140-N144 WeakPolarHBondContact O-CB 3.18Å; Q140-N144 PolarHBondContact O-N 3.3Å; Q140-N144 PolarHBondContact O-ND2 2.97Å; F141-N144 PolarHBondContact O-N 3.13Å; N144-P146 VanDerWaalsContact O-CD 3.31Å; N144-P146 WeakPolarHBondContact O-CD 3.36Å
145V97.9Very high84.1Confident7 Ų769.7 Ų69.74%0.04241%0.41CS..SBendtrans-123.266.1-176.6-169.90000109.5F90 F101 T102 I105 W106 F141F90-V145 HydrophobicContact CD1-CG1 4.35Å; F90-V145 HydrophobicContact CE1-CG1 4.27Å; F101-V145 HydrophobicContact CE1-CG1 4.08Å; T102-V145 HydrophobicContact CG2-CG1 3.79Å; T102-V145 HydrophobicContact CG2-CG2 4.07Å; I105-V145 HydrophobicContact CD1-CB 4.47Å; I105-V145 HydrophobicContact CD1-CG1 3.64Å; I105-V145 HydrophobicContact CG1-CG1 4.21Å; W106-V145 HydrophobicContact CE3-CG2 3.66Å; W106-V145 HydrophobicContact CZ3-CG2 3.64Å; F141-V145 HydrophobicContact CB-CG2 4.49Å; F141-V145 HydrophobicContact CD1-CG2 3.83Å; F141-V145 HydrophobicContact CE1-CG2 4.45Å; F141-V145 HydrophobicContact CG-CG2 4.47Å; F141-V145 WeakPolarHBondContact O-CB 3.4Å; F141-V145 PolarHBondContact O-N 2.85Å
146P96.8Very high81.2Confident30 Ų3078.3 Ų78.320%0.19545%0.445CS..PPolyproline II helixtrans-66.3147.3179.526.5-32.6000111.2H21 C23 N144H21-P146 HydrophobicContact CB-CG 4.18Å; H21-P146 PolarHBondContact ND1-O 3.22Å; H21-P146 WeakPolarHBondContact O-CG 3.03Å; C23-P146 VanDerWaalsContact SG-CG 3.6Å; N144-P146 VanDerWaalsContact O-CD 3.31Å; N144-P146 WeakPolarHBondContact O-CD 3.36Å
147P96Very high78.3Confident79 Ų7981.2 Ų81.251%0.51347%0.468SS..PPolyproline II helixtrans-65.3163171.329.4-35000111.6F90 I149F90-P147 HydrophobicContact CD1-CB 4.13Å; F90-P147 HydrophobicContact CE1-CB 4.25Å; F90-P147 HydrophobicContact CG-CB 4.3Å; P147-I149 PolarHBondContact O-N 2.77Å
148P95.6Very high75.3Confident24 Ų2488 Ų8816%0.15649%0.494CS..PPolyproline II helixtrans-58133.5175-22.332000112.1L20 I85 H150 G151L20-P148 CarbonylContact O-C 3.56Å; L20-P148 WeakPolarHBondContact O-CA 3.29Å; I85-P148 HydrophobicContact CD1-CG 4Å; P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 3.29Å; P148-G151 PolarHBondContact O-N 2.8Å
149I92.9Very high72.5Confident104 Ų10487.5 Ų87.553%0.53349%0.494SS..THydrogen-bonded Turntrans-57.6-39.2-173.7-64.4170.2000112.5L20 P147L20-I149 PolarHBondContact O-N 3.14Å; P147-I149 PolarHBondContact O-N 2.77Å
150H81.5Confident69.4Low156 Ų15688.9 Ų88.972%0.72249%0.492SS*.THydrogen-bonded Turntrans-107.115.9-173.1-63.196.8000113.6P148 Q152P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 3.29Å; H150-Q152 HydrophobicContact CB-CG 4.24Å; H150-Q152 PolarHBondContact O-N 3.13Å
151G66.9Low66.3Low65 Ų6590.3 Ų90.367%0.6751%0.511SS*.SBendtrans62.15-17400000114.7P148 S153P148-G151 PolarHBondContact O-N 2.8Å; G151-S153 PolarHBondContact O-N 3.05Å; G151-S153 VanDerWaalsContact O-N 3.11Å
152Q50.9Low63Low142 Ų14299.9 Ų99.966%0.66455%0.548SS*.  trans-78.695.2176.7-64.9-173.124.400108.9H150H150-Q152 HydrophobicContact CB-CG 4.24Å; H150-Q152 PolarHBondContact O-N 3.13Å
153S46.3Very low60Low73 Ų73101.6 Ų101.651%0.5155%0.549SS..PPolyproline II helixtrans-63.1137.9144.545.40000106.8G151G151-S153 PolarHBondContact O-N 3.05Å; G151-S153 VanDerWaalsContact O-N 3.11Å
154T44.7Very low56.9Low37 Ų37104.2 Ų104.223%0.22756%0.561CS.*PPolyproline II helixtrans-46.6152.8178.7410000111.4Y82 K156Y82-T154 HydrophobicContact CE1-CG2 4.24Å; T154-K156 PolarHBondContact O-N 3.01Å
155P36.8Very low53.7Low125 Ų125111.4 Ų111.481%0.81260%0.599SS**PPolyproline II helixtrans-51.9122.7-178.4-16.725.7000108.3S157P155-S157 PolarHBondContact O-N 3.18Å
156K37.5Very low50.3Low189 Ų189116.7 Ų116.782%0.82262%0.623SS**  trans-41.8104.2177.1-67.4-179.1-179.2179.50108T154 K158T154-K156 PolarHBondContact O-N 3.01Å; K156-K158 VanDerWaalsContact C-N 3.33Å; K156-K158 PolarHBondContact O-N 3.08Å
157S34.6Very low47.1Very low100 Ų100123.2 Ų123.270%0.69965%0.652SS**  trans-61.2111.1161.8-1720000103.5P155 V159P155-S157 PolarHBondContact O-N 3.18Å; S157-V159 PolarHBondContact O-N 2.88Å
158K31.8Very low43.9Very low198 Ų198127.5 Ų127.586%0.86167%0.67SS**  trans-63.976.4168.2-71-179178.9178.80106K156 P160K156-K158 VanDerWaalsContact C-N 3.33Å; K156-K158 PolarHBondContact O-N 3.08Å; K158-P160 VanDerWaalsContact O-CD 3.26Å; K158-P160 WeakPolarHBondContact O-CD 3.26Å
159V35Very low40.9Very low110 Ų110129.2 Ų129.267%0.66769%0.692SS**  trans-69.9114.9159.2-173.20000103.6S157 S161S157-V159 PolarHBondContact O-N 2.88Å; V159-S161 PolarHBondContact O-N 2.8Å
160P29.9Very low38Very low90 Ų90130.6 Ų130.658%0.58471%0.708SS**  trans-55130171.7-17.130.2000106.7K158 Y162K158-P160 VanDerWaalsContact O-CD 3.26Å; K158-P160 WeakPolarHBondContact O-CD 3.26Å; P160-Y162 VanDerWaalsContact C-N 3.28Å; P160-Y162 PolarHBondContact O-N 3.28Å
161S31.9Very low35.3Very low104 Ų104132.3 Ų132.373%0.72771%0.708SS**  trans-56.6102.4164.247.70000106.7V159 K163V159-S161 PolarHBondContact O-N 2.8Å; S161-K163 PolarHBondContact O-N 2.93Å
162Y26.7Very low33.6Very low207 Ų207139.3 Ų139.381%0.81271%0.714SS**  trans-67.191.5169.3-93.2-87.4000106.3P160 H164P160-Y162 VanDerWaalsContact C-N 3.28Å; P160-Y162 PolarHBondContact O-N 3.28Å; Y162-H164 VanDerWaalsContact C-N 3.34Å; Y162-H164 PolarHBondContact O-N 3.48Å
163K32.2Very low32.5Very low186 Ų186137.8 Ų137.881%0.80972%0.715SS**  trans-62.1104.1156.3-71.8-169.9177.6-174.90105.4S161 N165S161-K163 PolarHBondContact O-N 2.93Å; K163-N165 VanDerWaalsContact C-N 3.33Å; K163-N165 PolarHBondContact O-N 2.9Å
164H31.6Very low31.8Very low162 Ų162144.8 Ų144.875%0.7573%0.732SS**  trans-62.699.6171.8-136.1-71.9000106.8Y162 E166Y162-H164 VanDerWaalsContact C-N 3.34Å; Y162-H164 PolarHBondContact O-N 3.48Å; H164-E166 PolarHBondContact O-N 3.2Å
165N29.3Very low31.2Very low151 Ų151151.4 Ų151.481%0.80776%0.76SS**  trans-80.2102.5169.2-150.110.9000105.9K163 Q167K163-N165 VanDerWaalsContact C-N 3.33Å; K163-N165 PolarHBondContact O-N 2.9Å; N165-Q167 PolarHBondContact O-N 3.34Å; N165-Q167 VanDerWaalsContact O-N 3.15Å
166E27.8Very low31.1Very low118 Ų118153.1 Ų153.155%0.55176%0.762SS**  trans-69.5103.3177.4-71.1-173.4126.600109.7H164 R171H164-E166 PolarHBondContact O-N 3.2Å; E166-R171 IonicContact OE1-CZ 3.41Å; E166-R171 IonicContact OE1-NE 2.83Å; E166-R171 IonicContact OE1-NH2 2.64Å; E166-R171 PolarHBondContact OE1-NH2 3.11Å
167Q30.1Very low30.8Very low168 Ų168147.9 Ų147.979%0.78574%0.741SS**SBendtrans-166.8110.5152.8-101.2151.552.100108N165N165-Q167 PolarHBondContact O-N 3.34Å; N165-Q167 VanDerWaalsContact O-N 3.15Å
168N28.9Very low30.6Very low169 Ų169148.4 Ų148.490%0.90474%0.735SS**SBendtrans76.677.7163.6-50.8-28.4000118
169G31.5Very low30.6Very low60 Ų60141.6 Ų141.662%0.61971%0.71SS**SBendtrans-177.7149.6162.300000111.3R171G169-R171 PolarHBondContact O-N 2.86Å; G169-R171 VanDerWaalsContact O-N 3.09Å
170P31.8Very low30.3Very low133 Ų133140.5 Ų140.586%0.86470%0.7SS**  trans-65.7115.8-175.127.1-31.3000109.9R172P170-R172 PolarHBondContact O-N 3.47Å
171R25.9Very low30.5Very low192 Ų192138.3 Ų138.373%0.72568%0.684SS**  trans-54.1115.9178.1-79.2-178.4175.2179.81.2110.4E166 G169E166-R171 IonicContact OE1-CZ 3.41Å; E166-R171 IonicContact OE1-NE 2.83Å; E166-R171 IonicContact OE1-NH2 2.64Å; E166-R171 PolarHBondContact OE1-NH2 3.11Å; G169-R171 PolarHBondContact O-N 2.86Å; G169-R171 VanDerWaalsContact O-N 3.09Å
172R29.9Very low30.7Very low211 Ų211141.7 Ų141.780%0.79668%0.681SS**  trans-104.8103.9161.6-77.6-172.9178.6-170.30.2108.8P170P170-R172 PolarHBondContact O-N 3.47Å
173T27.4Very low31.4Very low111 Ų111136.2 Ų136.268%0.68166%0.663SS**  trans-116.2117.8164.351.40000107
174Y33.3Very low31.8Very low220 Ų220129.6 Ų129.686%0.86364%0.638SS**  trans-133.3102153.1-99.6-82000107.7
175Q31Very low32.5Very low175 Ų175129.7 Ų129.782%0.81864%0.644SS**  trans-65.5143.2158.4-71.6172.5-40.300107.4E177Q175-E177 PolarHBondContact O-N 3.19Å
176D36.1Very low33.5Very low162 Ų162131.5 Ų131.587%0.86664%0.64SS**  trans-62.293.9174.1-66.4-47.2000110.1L178D176-L178 PolarHBondContact O-N 2.81Å
177E31.1Very low34.5Very low79 Ų79132.9 Ų132.937%0.36964%0.644SS.*  trans-82.3106.6169.4-96.5176.9169.200109.2Q175 V179 S201Q175-E177 PolarHBondContact O-N 3.19Å; E177-V179 PolarHBondContact O-N 2.86Å; E177-S201 VanDerWaalsContact OE1-CB 3.27Å; E177-S201 WeakPolarHBondContact OE1-CB 3.47Å; E177-S201 PolarHBondContact OE1-OG 2.97Å
178L30.5Very low35.9Very low111 Ų111127.8 Ų127.858%0.58162%0.622SS**  trans-71.1104.1170.2-166.784.3000109.5D176 I180 S200D176-L178 PolarHBondContact O-N 2.81Å; L178-I180 HydrophobicContact CD2-CG1 4.36Å; L178-S200 PolarHBondContact O-OG 2.96Å
179V29.9Very low37.5Very low55 Ų55129 Ų12933%0.33362%0.622SS.*EExtended strand (participates in β ladder)trans-87.9111.8173.4-177.10000110.1E177 V181 L197E177-V179 PolarHBondContact O-N 2.86Å; V179-V181 HydrophobicContact CG1-CG2 4.4Å; V179-L197 HydrophobicContact CG1-CB 4.5Å
180I30.3Very low38.7Very low87 Ų87133.1 Ų133.145%0.44663%0.629SS.*EExtended strand (participates in β ladder)trans-87.3127.4173.8-60.5177.7000108.2L178 I198L178-I180 HydrophobicContact CD2-CG1 4.36Å; I180-I198 PolarHBondContact N-O 2.54Å; I180-I198 WeakPolarHBondContact O-CA 3.15Å; I180-I198 WeakPolarHBondContact O-CB 3.13Å; I180-I198 PolarHBondContact O-N 3.47Å
181V33.3Very low39.3Very low43 Ų43129 Ų12926%0.26161%0.611SS.*EExtended strand (participates in β ladder)trans-105.8119.2176.2178.70000108.8V179 I195 L197V179-V181 HydrophobicContact CG1-CG2 4.4Å; V181-I195 HydrophobicContact CG1-CG2 3.37Å; V181-L197 HydrophobicContact CG1-CD2 4.48Å; V181-L197 HydrophobicContact CG2-CD2 3.53Å
182R36.3Very low40.3Very low176 Ų176121.9 Ų121.966%0.66459%0.591SS**EExtended strand (participates in β ladder)trans-103.7123.8169.6-73.9-173.5176.7173.6-1.3108.6T196 I198R182-T196 PolarHBondContact N-O 3.2Å; R182-T196 PolarHBondContact O-N 3.38Å; R182-I198 HydrophobicContact CB-CD1 4.11Å; R182-I198 HydrophobicContact CG-CD1 3.97Å
183E40.5Very low41.2Very low91 Ų91115.1 Ų115.143%0.42557%0.571SS.*EExtended strand (participates in β ladder)trans-81.3129.4169-162.9162.9177.300107.6N193 K223E183-N193 HydrophobicContact CG-CB 3.98Å; E183-N193 WeakPolarHBondContact OE1-CB 3.47Å; E183-N193 PolarHBondContact OE1-ND2 3.47Å; E183-K223 IonicContact OE1-NZ 3.54Å; E183-K223 PolarHBondContact OE1-NZ 2.64Å; E183-K223 IonicContact OE2-NZ 2.67Å; E183-K223 PolarHBondContact OE2-NZ 3.19Å
184T42Very low41.8Very low48 Ų48113.1 Ų113.129%0.29455%0.553SS.*EExtended strand (participates in β ladder)trans-101.4148.217466.50000108.7R186 H194T184-R186 PolarHBondContact O-N 3.3Å; T184-H194 PolarHBondContact N-O 3.21Å; T184-H194 VanDerWaalsContact N-O 3.13Å; T184-H194 PolarHBondContact OG1-O 2.97Å
185D46.7Very low42.2Very low163 Ų163105.8 Ų105.887%0.87253%0.529SS*.EExtended strand (participates in β ladder)trans-68.33.5174.9-67.8-42.3000113.4K187D185-K187 PolarHBondContact O-N 3.4Å
186R49Very low42.8Very low190 Ų19099.9 Ų99.972%0.71750%0.504SS*.EExtended strand (participates in β ladder)trans-71.2130.1172.7-70.4-175.5-177.3163.51.3109.2T184 H194T184-R186 PolarHBondContact O-N 3.3Å; R186-H194 HydrophobicContact CB-CB 4.08Å; R186-H194 WeakPolarHBondContact O-CB 3.34Å; R186-H194 PolarHBondContact O-N 2.88Å
187K49.9Very low42.8Very low147 Ų14797 Ų9764%0.63949%0.488SS*.EExtended strand (participates in β ladder)trans-93.5139.1171.4-63.7-171180-1770109.7D185 S192D185-K187 PolarHBondContact O-N 3.4Å; K187-S192 CarbonylContact C-O 3.53Å; K187-S192 VanDerWaalsContact CA-O 3.31Å; K187-S192 WeakPolarHBondContact CA-O 3.37Å
188D57.9Low43.1Very low60 Ų6096.5 Ų96.532%0.32149%0.487SS..  trans-71.9176.416769.316.6000111.1N190 G191 S192D188-N190 PolarHBondContact O-N 3.35Å; D188-N190 VanDerWaalsContact OD1-C 3.26Å; D188-N190 WeakPolarHBondContact OD1-CA 3.36Å; D188-N190 PolarHBondContact OD1-N 3.19Å; D188-G191 PolarHBondContact O-N 3.39Å; D188-G191 PolarHBondContact OD1-N 2.74Å; D188-S192 PolarHBondContact N-O 2.81Å; D188-S192 PolarHBondContact OD1-N 3.41Å; D188-S192 WeakPolarHBondContact OD2-CB 3.46Å
189H63Low43.3Very low196 Ų19693.6 Ų93.691%0.90747%0.472SS*.THydrogen-bonded Turntrans-64.8-12.2-176.3-6.3-50.3000112.4
190N57.3Low43.6Very low145 Ų14594.6 Ų94.678%0.77548%0.482SS*.THydrogen-bonded Turntrans-105.110.7175.8-80.6-5.7000112.8D188 S192D188-N190 PolarHBondContact O-N 3.35Å; D188-N190 VanDerWaalsContact OD1-C 3.26Å; D188-N190 WeakPolarHBondContact OD1-CA 3.36Å; D188-N190 PolarHBondContact OD1-N 3.19Å; N190-S192 VanDerWaalsContact C-N 3.28Å; N190-S192 PolarHBondContact O-N 3.19Å
191G43.7Very low43.8Very low46 Ų4693.3 Ų93.347%0.47448%0.481SS..SBendtrans73.912.5177.700000115D188D188-G191 PolarHBondContact O-N 3.39Å; D188-G191 PolarHBondContact OD1-N 2.74Å
192S47Very low43.9Very low44 Ų4497.4 Ų97.431%0.30850%0.495SS..PPolyproline II helixtrans-90.5144.6174.4-64.10000110.9K187 D188 N190 H194K187-S192 CarbonylContact C-O 3.53Å; K187-S192 VanDerWaalsContact CA-O 3.31Å; K187-S192 WeakPolarHBondContact CA-O 3.37Å; D188-S192 PolarHBondContact N-O 2.81Å; D188-S192 PolarHBondContact OD1-N 3.41Å; D188-S192 WeakPolarHBondContact OD2-CB 3.46Å; N190-S192 VanDerWaalsContact C-N 3.28Å; N190-S192 PolarHBondContact O-N 3.19Å; S192-H194 PolarHBondContact O-N 3.25Å
193N48Very low43.5Very low69 Ų69100.9 Ų100.937%0.36951%0.508SS..EExtended strand (participates in β ladder)trans-63133.9177.3-67.1-9.7000110.6E183 I195E183-N193 HydrophobicContact CG-CB 3.98Å; E183-N193 WeakPolarHBondContact OE1-CB 3.47Å; E183-N193 PolarHBondContact OE1-ND2 3.47Å; N193-I195 PolarHBondContact O-N 3.46Å
194H40.7Very low42.9Very low69 Ų69101.5 Ų101.532%0.31952%0.522SS..EExtended strand (participates in β ladder)trans-73.3119.4177.8-166.7-51.1000109.4T184 R186 S192T184-H194 PolarHBondContact N-O 3.21Å; T184-H194 VanDerWaalsContact N-O 3.13Å; T184-H194 PolarHBondContact OG1-O 2.97Å; R186-H194 HydrophobicContact CB-CB 4.08Å; R186-H194 WeakPolarHBondContact O-CB 3.34Å; R186-H194 PolarHBondContact O-N 2.88Å; S192-H194 PolarHBondContact O-N 3.25Å
195I42.8Very low42.4Very low66 Ų66110.6 Ų110.634%0.33855%0.551SS.*EExtended strand (participates in β ladder)trans-100.2120.2178.4-59.7177.2000107.5V181 N193V181-I195 HydrophobicContact CG1-CG2 3.37Å; N193-I195 PolarHBondContact O-N 3.46Å
196T42.2Very low41.7Very low51 Ų51108.3 Ų108.331%0.31355%0.548SS..EExtended strand (participates in β ladder)trans-104.3121.2173.3-54.40000108.8R182 I198R182-T196 PolarHBondContact N-O 3.2Å; R182-T196 PolarHBondContact O-N 3.38Å; T196-I198 HydrophobicContact CG2-CG1 4.35Å; T196-I198 PolarHBondContact O-N 2.95Å
197L37Very low41.1Very low101 Ų101106.4 Ų106.453%0.52955%0.553SS.*EExtended strand (participates in β ladder)trans-77.9115.3169.4-59.3179.1000107.5V179 V181V179-L197 HydrophobicContact CG1-CB 4.5Å; V181-L197 HydrophobicContact CG1-CD2 4.48Å; V181-L197 HydrophobicContact CG2-CD2 3.53Å
198I36.8Very low40.6Very low68 Ų68107 Ų10735%0.34956%0.557SS.*EExtended strand (participates in β ladder)trans-99.1100.9172.8-55174.1000106.6I180 R182 T196 S200I180-I198 PolarHBondContact N-O 2.54Å; I180-I198 WeakPolarHBondContact O-CA 3.15Å; I180-I198 WeakPolarHBondContact O-CB 3.13Å; I180-I198 PolarHBondContact O-N 3.47Å; R182-I198 HydrophobicContact CB-CD1 4.11Å; R182-I198 HydrophobicContact CG-CD1 3.97Å; T196-I198 HydrophobicContact CG2-CG1 4.35Å; T196-I198 PolarHBondContact O-N 2.95Å; I198-S200 PolarHBondContact O-N 3.44Å
199D34.9Very low40.1Very low50 Ų50109.4 Ų109.427%0.26758%0.575SS.*EExtended strand (participates in β ladder)trans-65.7118.4161.7-177.1-0.3000108S201D199-S201 PolarHBondContact O-N 2.95Å; D199-S201 WeakPolarHBondContact OD1-CB 3.43Å; D199-S201 PolarHBondContact OD1-N 3.17Å; D199-S201 PolarHBondContact OD1-OG 2.73Å; D199-S201 PolarHBondContact OD2-OG 2.72Å
200S36.7Very low39.5Very low77 Ų77107.5 Ų107.554%0.53857%0.569SS.*THydrogen-bonded Turntrans-76.3-7179.157.70000112.7L178 I198L178-S200 PolarHBondContact O-OG 2.96Å; I198-S200 PolarHBondContact O-N 3.44Å
201S33.5Very low39.3Very low60 Ų60103.2 Ų103.242%0.4255%0.55SS..THydrogen-bonded Turntrans-100.4-9.8-177.884.80000114.9E177 D199E177-S201 VanDerWaalsContact OE1-CB 3.27Å; E177-S201 WeakPolarHBondContact OE1-CB 3.47Å; E177-S201 PolarHBondContact OE1-OG 2.97Å; D199-S201 PolarHBondContact O-N 2.95Å; D199-S201 WeakPolarHBondContact OD1-CB 3.43Å; D199-S201 PolarHBondContact OD1-N 3.17Å; D199-S201 PolarHBondContact OD1-OG 2.73Å; D199-S201 PolarHBondContact OD2-OG 2.72Å
202K35Very low40.3Very low129 Ų129104.9 Ų104.956%0.56155%0.548SS*.  trans-135.698.5-174-68.4173.7-163.8158.50114.1S204K202-S204 PolarHBondContact O-N 2.79Å
203R28.9Very low41.3Very low249 Ų249111.7 Ų111.794%0.9457%0.572SS**SBendtrans-61.6118.3142.5-83.7-177.9175.3-157.7-0.8106.6
204S28.6Very low41.9Very low103 Ų103113.7 Ų113.772%0.7258%0.582SS**SBendtrans78.195.4176.878.10000117K202K202-S204 PolarHBondContact O-N 2.79Å
205R31.4Very low42.8Very low239 Ų239113.4 Ų113.490%0.90258%0.581SS**  173.8124.1119.5-94.3174.6176-173.3-1.2108.6D207R205-D207 PolarHBondContact O-N 2.9Å
206S30.4Very low43.7Very low116 Ų116112.6 Ų112.681%0.81158%0.579SS**  trans-62.8112.9174.348.90000110.7
207D37.2Very low44.9Very low150 Ų150119 Ų11980%0.80260%0.598SS**  trans-141.683.3156.7-139.9-4.2000107.8R205 T209R205-D207 PolarHBondContact O-N 2.9Å; D207-T209 PolarHBondContact O-N 3.02Å
208E39.3Very low46.1Very low158 Ų158115.1 Ų115.174%0.73858%0.577SS**  trans-75.498.5177.3-73.3-176.6156.100109I210E208-I210 PolarHBondContact O-N 3.28Å
209T46.7Very low47.1Very low112 Ų112114.5 Ų114.569%0.68757%0.574SS**  trans-80.6109.4169.617.60000109.6D207D207-T209 PolarHBondContact O-N 3.02Å
210I52.1Low48.5Very low155 Ų155119 Ų11980%0.79559%0.587SS**PPolyproline II helixtrans-66.4123.6174.8-63.6168.6000108.8E208 N212E208-I210 PolarHBondContact O-N 3.28Å; I210-N212 PolarHBondContact O-N 3.27Å
211P53.3Low49.8Very low56 Ų56117.8 Ų117.836%0.36458%0.582SS.*PPolyproline II helixtrans-60.4134.5178.8-18.728.7000110.8E215 V216P211-E215 WeakPolarHBondContact CA-OE2 3.46Å; P211-E215 HydrophobicContact CB-CB 3.85Å; P211-V216 HydrophobicContact CB-CG2 4Å
212N64.6Low51.1Low81 Ų81116.3 Ų116.343%0.43357%0.568SS.*PPolyproline II helixtrans-66.9163.1176.76954.4000110.9I210 N214 E215 V216I210-N212 PolarHBondContact O-N 3.27Å; N212-N214 PolarHBondContact O-N 2.54Å; N212-N214 WeakPolarHBondContact OD1-CA 3.29Å; N212-N214 VanDerWaalsContact OD1-CB 3.31Å; N212-N214 WeakPolarHBondContact OD1-CB 3.32Å; N212-N214 PolarHBondContact OD1-N 3.32Å; N212-E215 PolarHBondContact N-OE2 3.03Å; N212-E215 PolarHBondContact ND2-OE1 3.45Å; N212-E215 PolarHBondContact ND2-OE2 2.94Å; N212-E215 WeakPolarHBondContact O-CB 3.47Å; N212-E215 PolarHBondContact O-N 3.38Å; N212-E215 PolarHBondContact OD1-N 2.97Å; N212-V216 PolarHBondContact O-N 2.89Å
213K67.9Low52.2Low187 Ų187112.6 Ų112.681%0.81355%0.552SS**Hα-helixtrans-54.3-31.1-177-72-175.6-179.7176.40113.5R217K213-R217 WeakPolarHBondContact O-CG 3.28Å; K213-R217 PolarHBondContact O-N 3.18Å
214N60Low53.8Low110 Ų110108 Ų10859%0.58854%0.539SS*.Hα-helixtrans-69.5-54.1177-69.9-24.2000109.4N212 V216 R217 I218N212-N214 PolarHBondContact O-N 2.54Å; N212-N214 WeakPolarHBondContact OD1-CA 3.29Å; N212-N214 VanDerWaalsContact OD1-CB 3.31Å; N212-N214 WeakPolarHBondContact OD1-CB 3.32Å; N212-N214 PolarHBondContact OD1-N 3.32Å; N214-V216 VanDerWaalsContact C-N 3.28Å; N214-V216 PolarHBondContact O-N 2.98Å; N214-R217 WeakPolarHBondContact O-CA 3.35Å; N214-R217 VanDerWaalsContact O-CB 3.31Å; N214-R217 WeakPolarHBondContact O-CB 3.38Å; N214-R217 PolarHBondContact O-N 2.89Å; N214-I218 WeakPolarHBondContact O-CD1 3.33Å; N214-I218 PolarHBondContact O-N 3.39Å
215E58.6Low55.4Low63 Ų63110.7 Ų110.729%0.29453%0.533SS..Hα-helixtrans-49.5-46.6177.4-70.5168.2162.600112.4L46 P211 N212 R217 I218 I219L46-E215 HydrophobicContact CD2-CG 3.92Å; P211-E215 WeakPolarHBondContact CA-OE2 3.46Å; P211-E215 HydrophobicContact CB-CB 3.85Å; N212-E215 PolarHBondContact N-OE2 3.03Å; N212-E215 PolarHBondContact ND2-OE1 3.45Å; N212-E215 PolarHBondContact ND2-OE2 2.94Å; N212-E215 WeakPolarHBondContact O-CB 3.47Å; N212-E215 PolarHBondContact O-N 3.38Å; N212-E215 PolarHBondContact OD1-N 2.97Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 3.47Å; E215-I218 PolarHBondContact O-N 2.98Å; E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 3.19Å
216V62.4Low56.2Low49 Ų49101.4 Ų101.430%0.29750%0.5SS..Hα-helixtrans-59-40.91761780000112.3P211 N212 N214 I218 I219 R220P211-V216 HydrophobicContact CB-CG2 4Å; N212-V216 PolarHBondContact O-N 2.89Å; N214-V216 VanDerWaalsContact C-N 3.28Å; N214-V216 PolarHBondContact O-N 2.98Å; V216-I218 VanDerWaalsContact C-N 3.34Å; V216-I218 PolarHBondContact O-N 3.34Å; V216-I219 PolarHBondContact O-N 3.28Å; V216-R220 WeakPolarHBondContact O-CB 3.36Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.47Å; V216-R220 PolarHBondContact O-N 3.33Å
217R68Low57.4Low187 Ų187104.4 Ų104.471%0.70649%0.494SS*.Hα-helixtrans-64.1-38.8178.6-80.2177.2152.2-175.8-5.8112.1K213 N214 E215 R220 A221K213-R217 WeakPolarHBondContact O-CG 3.28Å; K213-R217 PolarHBondContact O-N 3.18Å; N214-R217 WeakPolarHBondContact O-CA 3.35Å; N214-R217 VanDerWaalsContact O-CB 3.31Å; N214-R217 WeakPolarHBondContact O-CB 3.38Å; N214-R217 PolarHBondContact O-N 2.89Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 3.47Å; R217-R220 PolarHBondContact O-N 3.25Å; R217-A221 WeakPolarHBondContact O-CB 3.1Å; R217-A221 PolarHBondContact O-N 3.07Å
218I60.8Low58.4Low19 Ų19106.7 Ų106.710%0.09749%0.491CS..Hα-helixtrans-69.3-48.9177.7-59.9125.7000109.8L46 N214 E215 V216 R220 A221 E222L46-I218 HydrophobicContact CD2-CD1 4.12Å; N214-I218 WeakPolarHBondContact O-CD1 3.33Å; N214-I218 PolarHBondContact O-N 3.39Å; E215-I218 PolarHBondContact O-N 2.98Å; V216-I218 VanDerWaalsContact C-N 3.34Å; V216-I218 PolarHBondContact O-N 3.34Å; I218-R220 PolarHBondContact O-N 3.42Å; I218-R220 VanDerWaalsContact O-N 3.17Å; I218-A221 CarbonylContact O-C 3.53Å; I218-A221 PolarHBondContact O-N 3.13Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 PolarHBondContact O-N 2.77Å
219I58.6Low58.7Low54 Ų54100.3 Ų100.328%0.27746%0.464SS..Hα-helixtrans-53.4-41.6177.9-66.9164.5000109.4E215 V216 K223E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 3.19Å; V216-I219 PolarHBondContact O-N 3.28Å; I219-K223 HydrophobicContact CG2-CD 4.34Å; I219-K223 WeakPolarHBondContact O-CB 3.15Å; I219-K223 VanDerWaalsContact O-CG 3.28Å; I219-K223 WeakPolarHBondContact O-CG 3.27Å; I219-K223 PolarHBondContact O-N 3.15Å
220R64.4Low58.3Low145 Ų14598.2 Ų98.255%0.54746%0.457SS..Hα-helixtrans-65.8-43.6174.8-74.3175.8178.1178.10.5113.7V216 R217 I218 E222 K223 K224V216-R220 WeakPolarHBondContact O-CB 3.36Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.47Å; V216-R220 PolarHBondContact O-N 3.33Å; R217-R220 PolarHBondContact O-N 3.25Å; I218-R220 PolarHBondContact O-N 3.42Å; I218-R220 VanDerWaalsContact O-N 3.17Å; R220-E222 VanDerWaalsContact C-N 3.32Å; R220-K223 PolarHBondContact O-N 3.09Å; R220-K224 WeakPolarHBondContact O-CG 3.46Å; R220-K224 PolarHBondContact O-N 3.26Å
221A63.6Low58.2Low52 Ų5298.4 Ų98.443%0.4345%0.453SS..Hα-helixtrans-65.8-39178.500000111.5R217 I218 K224 R225R217-A221 WeakPolarHBondContact O-CB 3.1Å; R217-A221 PolarHBondContact O-N 3.07Å; I218-A221 CarbonylContact O-C 3.53Å; I218-A221 PolarHBondContact O-N 3.13Å; A221-K224 WeakPolarHBondContact O-CB 3.31Å; A221-K224 PolarHBondContact O-N 3.43Å; A221-R225 PolarHBondContact O-N 3.29Å
222E61.4Low57.8Low28 Ų28104.4 Ų104.413%0.13147%0.468CS..Hα-helixtrans-65.9-48.4174.8-154.2-172147.800110.6W39 I218 R220 K224 R225 Q226W39-E222 WeakPolarHBondContact CH2-OE1 3.45Å; W39-E222 WeakPolarHBondContact CH2-OE2 3.43Å; W39-E222 HydrophobicContact CZ3-CG 4.15Å; W39-E222 WeakPolarHBondContact CZ3-OE1 3.42Å; W39-E222 WeakPolarHBondContact CZ3-OE2 3.46Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 PolarHBondContact O-N 2.77Å; R220-E222 VanDerWaalsContact C-N 3.32Å; E222-K224 PolarHBondContact O-N 3Å; E222-R225 CarbonylContact O-C 3.57Å; E222-R225 WeakPolarHBondContact O-CA 3.48Å; E222-R225 PolarHBondContact O-N 3.26Å; E222-Q226 HydrophobicContact CG-CG 4.44Å; E222-Q226 WeakPolarHBondContact O-CB 3.31Å; E222-Q226 WeakPolarHBondContact O-CG 3.45Å; E222-Q226 PolarHBondContact O-N 3.03Å; E222-Q226 PolarHBondContact OE1-NE2 3.48Å
223K57.2Low56.4Low52 Ų52104.6 Ų104.623%0.22648%0.475CS..Hα-helixtrans-54.7-38.2171.1-78.1-175.6178.3-166.70112.8E183 I219 R220 R227E183-K223 IonicContact OE1-NZ 3.54Å; E183-K223 PolarHBondContact OE1-NZ 2.64Å; E183-K223 IonicContact OE2-NZ 2.67Å; E183-K223 PolarHBondContact OE2-NZ 3.19Å; I219-K223 HydrophobicContact CG2-CD 4.34Å; I219-K223 WeakPolarHBondContact O-CB 3.15Å; I219-K223 VanDerWaalsContact O-CG 3.28Å; I219-K223 WeakPolarHBondContact O-CG 3.27Å; I219-K223 PolarHBondContact O-N 3.15Å; R220-K223 PolarHBondContact O-N 3.09Å; K223-R227 WeakPolarHBondContact O-CB 3.28Å; K223-R227 VanDerWaalsContact O-CG 3.25Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.37Å
224K64.2Low54.8Low152 Ų152100.5 Ų100.566%0.66147%0.47SS*.Hα-helixtrans-66.9-39174.4-78.4-176.7-179.3-176.10112.4R220 A221 E222 R228R220-K224 WeakPolarHBondContact O-CG 3.46Å; R220-K224 PolarHBondContact O-N 3.26Å; A221-K224 WeakPolarHBondContact O-CB 3.31Å; A221-K224 PolarHBondContact O-N 3.43Å; E222-K224 PolarHBondContact O-N 3Å; K224-R228 PolarHBondContact O-N 2.98Å
225R60.5Low53.8Low160 Ų160102.1 Ų102.160%0.60448%0.477SS*.Hα-helixtrans-69.1-43.6174-75.7-178.5173.5175.7-1.5111.2A221 E222 R227 R228 C229A221-R225 PolarHBondContact O-N 3.29Å; E222-R225 CarbonylContact O-C 3.57Å; E222-R225 WeakPolarHBondContact O-CA 3.48Å; E222-R225 PolarHBondContact O-N 3.26Å; R225-R227 PolarHBondContact O-N 3.43Å; R225-R228 WeakPolarHBondContact O-CA 3.3Å; R225-R228 WeakPolarHBondContact O-CB 3.2Å; R225-R228 PolarHBondContact O-N 2.79Å; R225-C229 PolarHBondContact O-N 3.02Å
226Q49.7Very low52.5Low44 Ų44110.5 Ų110.521%0.20652%0.519CS..Hα-helixtrans-58.5-41.7174.4-69.1165.30.300112.1E222 R228 C229 A230E222-Q226 HydrophobicContact CG-CG 4.44Å; E222-Q226 WeakPolarHBondContact O-CB 3.31Å; E222-Q226 WeakPolarHBondContact O-CG 3.45Å; E222-Q226 PolarHBondContact O-N 3.03Å; E222-Q226 PolarHBondContact OE1-NE2 3.48Å; Q226-R228 PolarHBondContact O-N 3.39Å; Q226-C229 VanDerWaalsContact O-CB 3.32Å; Q226-C229 WeakPolarHBondContact O-CB 3.37Å; Q226-C229 PolarHBondContact O-N 3.05Å; Q226-C229 VanDerWaalsContact O-N 3.13Å; Q226-A230 PolarHBondContact O-N 2.81Å
227R55.1Low52Low179 Ų179113.6 Ų113.668%0.67553%0.53SS*.Hα-helixtrans-62.1-25.7173.1-77.9175.7-177.2-169.40.7113.5K223 R225 K231K223-R227 WeakPolarHBondContact O-CB 3.28Å; K223-R227 VanDerWaalsContact O-CG 3.25Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.37Å; R225-R227 PolarHBondContact O-N 3.43Å; R227-K231 WeakPolarHBondContact O-CG 3.19Å; R227-K231 PolarHBondContact O-N 2.92Å
228R58Low51.2Low198 Ų198109.7 Ų109.775%0.74752%0.521SS*.Hα-helixtrans-78.4-32.4175-67.9179.6177.1-156.3-1.9112K224 R225 Q226K224-R228 PolarHBondContact O-N 2.98Å; R225-R228 WeakPolarHBondContact O-CA 3.3Å; R225-R228 WeakPolarHBondContact O-CB 3.2Å; R225-R228 PolarHBondContact O-N 2.79Å; Q226-R228 PolarHBondContact O-N 3.39Å
229C46.2Very low50.6Low24 Ų24114.7 Ų114.716%0.16254%0.544CS..Hα-helixtrans-60.3-57.3166.1-93.70000110.3E56 R225 Q226 K231 R232E56-C229 VanDerWaalsContact CD-SG 3.58Å; E56-C229 VanDerWaalsContact OE1-CA 3.31Å; E56-C229 WeakPolarHBondContact OE1-CA 3.46Å; E56-C229 WeakPolarHBondContact OE1-CB 3.5Å; E56-C229 VanDerWaalsContact OE1-O 3.1Å; E56-C229 PolarHBondContact OE2-SG 2.81Å; R225-C229 PolarHBondContact O-N 3.02Å; Q226-C229 VanDerWaalsContact O-CB 3.32Å; Q226-C229 WeakPolarHBondContact O-CB 3.37Å; Q226-C229 PolarHBondContact O-N 3.05Å; Q226-C229 VanDerWaalsContact O-N 3.13Å; C229-K231 VanDerWaalsContact C-N 3.26Å; C229-K231 PolarHBondContact O-N 3.35Å; C229-R232 WeakPolarHBondContact O-CB 3.31Å; C229-R232 PolarHBondContact O-N 3.2Å
230A38.3Very low50.2Low67 Ų67118.3 Ų118.355%0.55456%0.56SS**Hα-helixtrans-56.2-33.8-178.700000114.4Q226 C233Q226-A230 PolarHBondContact O-N 2.81Å; A230-C233 PolarHBondContact O-N 3.04Å
231K48.9Very low49.3Very low159 Ų159116.6 Ų116.669%0.69156%0.561SS**Hα-helixtrans-71.6-24176-81.6-173.7175.5-167.40114.2R227 C229R227-K231 WeakPolarHBondContact O-CG 3.19Å; R227-K231 PolarHBondContact O-N 2.92Å; C229-K231 VanDerWaalsContact C-N 3.26Å; C229-K231 PolarHBondContact O-N 3.35Å
232R44.9Very low48.3Very low182 Ų182120.9 Ų120.969%0.68757%0.569SS**Hα-helixtrans-76.2-27.9175.7-81.9-179.6157.5-169.2-8112.3C229 S234C229-R232 WeakPolarHBondContact O-CB 3.31Å; C229-R232 PolarHBondContact O-N 3.2Å; R232-S234 PolarHBondContact O-N 3.36Å
233C36.2Very low47.4Very low86 Ų86127.6 Ų127.658%0.58160%0.601SS**THydrogen-bonded Turntrans-72.4-6.6172.7-71.20000115A230A230-C233 PolarHBondContact O-N 3.04Å
234S33.4Very low46.6Very low100 Ų100133.4 Ų133.470%0.69963%0.629SS**THydrogen-bonded Turntrans-101.44.7178.3-173.80000113.4R232R232-S234 PolarHBondContact O-N 3.36Å
235I39.1Very low45.2Very low144 Ų144131.8 Ų131.874%0.73863%0.627SS**  trans-124.68.3-173.6-54.2176000112.3
236M32Very low43.8Very low239 Ų239129.3 Ų129.3100%1.17763%0.629SS**  trans-124.60165.5-74.8-163.2-6500109.6

Retrieved 236 of 236 residues in 662.5 ms (Link to these results)

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