A0A5K4F7G9_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7G9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 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
1M33.7Very low80.5Confident231 Ų23185.7 Ų85.7100%1.13845%0.445SS*.  0118.80-55.8-166.4-123.900105.6N3M1-N3 PolarHBondContact O-N 2.94Å; M1-N3 VanDerWaalsContact O-N 3.07Å
2P47Very low82Confident130 Ų13083.1 Ų83.184%0.84443%0.429SS*.  trans-76.6105.3177.717.2-4.7000108.8
3N56.9Low83.3Confident98 Ų9876.7 Ų76.752%0.52440%0.396SS..  trans47.698.1148.4-54-17.6000118.3M1M1-N3 PolarHBondContact O-N 2.94Å; M1-N3 VanDerWaalsContact O-N 3.07Å
4D80.3Confident84.4Confident117 Ų11772.4 Ų72.463%0.62637%0.373SS*.SBendtrans-65.3-32.5159.7-77.4-4.4000111.1K37D4-K37 HydrophobicContact CB-CG 4.19Å
5F92.1Very high85.3Confident31 Ų3174.9 Ų74.914%0.13639%0.388CS..SBendtrans-175.8172172.555-82.6000109.8I7 Y33 A36 K37 Q40F5-I7 HydrophobicContact CD2-CG1 4.33Å; F5-I7 HydrophobicContact CE2-CG1 3.83Å; F5-Y33 AromaticContact CE2-CD1 3.68Å; F5-Y33 HydrophobicContact CE2-CD1 3.68Å; F5-Y33 HydrophobicContact CE2-CE1 4.1Å; F5-Y33 HydrophobicContact CE2-CG 4.44Å; F5-Y33 AromaticContact CZ-CD1 3.46Å; F5-Y33 HydrophobicContact CZ-CD1 3.46Å; F5-Y33 VanDerWaalsContact CZ-CD1 3.46Å; F5-Y33 HydrophobicContact CZ-CE1 4.11Å; F5-Y33 AromaticContact CZ-CG 3.76Å; F5-Y33 HydrophobicContact CZ-CG 3.76Å; F5-A36 HydrophobicContact CB-CB 4.35Å; F5-A36 HydrophobicContact CD1-CB 4.32Å; F5-A36 HydrophobicContact CD2-CB 3.81Å; F5-A36 HydrophobicContact CE2-CB 4.17Å; F5-A36 HydrophobicContact CG-CB 3.91Å; F5-K37 HydrophobicContact CD1-CB 4.47Å; F5-K37 HydrophobicContact CD1-CG 3.49Å; F5-K37 VanDerWaalsContact CD1-CG 3.49Å; F5-K37 HydrophobicContact CE1-CG 3.8Å; F5-Q40 HydrophobicContact CB-CB 3.94Å; F5-Q40 HydrophobicContact CB-CG 4.27Å
6D94.3Very high86.1Confident18 Ų1871.4 Ų71.410%0.09637%0.369CS..  trans-94.8106.1179.4-167.1-31.7000110.8E8 F9 N10 K75 R122D6-E8 PolarHBondContact OD1-N 2.68Å; D6-F9 HydrophobicContact CB-CB 3.83Å; D6-F9 PolarHBondContact OD1-N 3.45Å; D6-N10 PolarHBondContact O-N 3.4Å; D6-N10 VanDerWaalsContact O-N 3.13Å; D6-N10 PolarHBondContact O-ND2 2.75Å; D6-K75 IonicContact OD2-NZ 3.41Å; D6-K75 PolarHBondContact OD2-NZ 2.98Å; D6-R122 IonicContact OD1-NH2 2.65Å; D6-R122 IonicContact OD2-CZ 3.71Å; D6-R122 IonicContact OD2-NE 2.65Å; D6-R122 PolarHBondContact OD2-NE 2.95Å; D6-R122 IonicContact OD2-NH2 3.85Å; D6-R122 PolarHBondContact OD2-NH2 3.31Å
7I94.8Very high86.9Confident89 Ų8967.2 Ų67.246%0.45635%0.347SS..Hα-helixtrans-64.9-46.3-175.1-64.2173.3000111.6F5 F9 N10 E11F5-I7 HydrophobicContact CD2-CG1 4.33Å; F5-I7 HydrophobicContact CE2-CG1 3.83Å; I7-F9 VanDerWaalsContact C-N 3.32Å; I7-F9 PolarHBondContact O-N 3.44Å; I7-N10 WeakPolarHBondContact O-CB 3.31Å; I7-N10 PolarHBondContact O-N 2.82Å; I7-N10 VanDerWaalsContact O-N 3.12Å; I7-E11 HydrophobicContact CG2-CG 4.37Å; I7-E11 WeakPolarHBondContact O-CG 3.35Å; I7-E11 PolarHBondContact O-N 2.98Å
8E95.1Very high87.5Confident127 Ų12765.4 Ų65.459%0.59334%0.339SS*.Hα-helixtrans-59.7-45.5-179.4-179.2177.1-16100110.3D6 N10 E11 E12D6-E8 PolarHBondContact OD1-N 2.68Å; E8-N10 VanDerWaalsContact C-N 3.32Å; E8-N10 PolarHBondContact O-N 3.27Å; E8-E11 PolarHBondContact O-N 3.31Å; E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.87Å
9F96.7Very high88.1Confident0 Ų068.4 Ų68.40%035%0.345CS..Hα-helixtrans-59.3-41.4175.6-178.3-107.2000112.9D6 I7 E12 C13 F78 G80 F120 R122 V133D6-F9 HydrophobicContact CB-CB 3.83Å; D6-F9 PolarHBondContact OD1-N 3.45Å; I7-F9 VanDerWaalsContact C-N 3.32Å; I7-F9 PolarHBondContact O-N 3.44Å; F9-E12 PolarHBondContact O-N 3.29Å; F9-C13 PolarHBondContact O-N 3.23Å; F9-C13 PolarHBondContact O-SG 3.11Å; F9-C13 VanDerWaalsContact O-SG 3.38Å; F9-F78 HydrophobicContact CE2-CD1 4.25Å; F9-F78 AromaticContact CE2-CE1 3.96Å; F9-F78 HydrophobicContact CE2-CE1 3.96Å; F9-F78 HydrophobicContact CZ-CE1 4.33Å; F9-G80 VanDerWaalsContact CD2-N 3.33Å; F9-G80 VanDerWaalsContact CE2-N 3.34Å; F9-F120 HydrophobicContact CD1-CB 4.25Å; F9-F120 HydrophobicContact CE1-CB 3.91Å; F9-R122 HydrophobicContact CD1-CB 4.39Å; F9-R122 HydrophobicContact CD1-CG 4Å; F9-R122 VanDerWaalsContact CD2-CD 3.47Å; F9-R122 HydrophobicContact CD2-CG 4.28Å; F9-R122 HydrophobicContact CE1-CB 3.95Å; F9-R122 HydrophobicContact CE1-CG 4.07Å; F9-R122 HydrophobicContact CE2-CB 4.43Å; F9-R122 HydrophobicContact CE2-CG 4.33Å; F9-R122 HydrophobicContact CG-CG 4.11Å; F9-R122 HydrophobicContact CZ-CB 3.98Å; F9-R122 HydrophobicContact CZ-CG 4.24Å; F9-V133 HydrophobicContact CE1-CG1 4.19Å; F9-V133 HydrophobicContact CZ-CG1 3.72Å; F9-V133 HydrophobicContact CZ-CG2 4.42Å
10N97.6Very high88.6Confident0 Ų065.3 Ų65.30%033%0.329CS..Hα-helixtrans-66.6-41177.6-87.8-92.5000112.2D6 I7 E8 C13 I14 L31 A36 F120D6-N10 PolarHBondContact O-N 3.4Å; D6-N10 VanDerWaalsContact O-N 3.13Å; D6-N10 PolarHBondContact O-ND2 2.75Å; I7-N10 WeakPolarHBondContact O-CB 3.31Å; I7-N10 PolarHBondContact O-N 2.82Å; I7-N10 VanDerWaalsContact O-N 3.12Å; E8-N10 VanDerWaalsContact C-N 3.32Å; E8-N10 PolarHBondContact O-N 3.27Å; N10-C13 PolarHBondContact O-N 2.96Å; N10-I14 WeakPolarHBondContact O-CB 3.49Å; N10-I14 VanDerWaalsContact O-CG1 3.29Å; N10-I14 WeakPolarHBondContact O-CG1 3.26Å; N10-I14 PolarHBondContact O-N 3.41Å; N10-L31 HydrophobicContact CB-CD1 3.83Å; N10-L31 HydrophobicContact CB-CD2 3.93Å; N10-L31 WeakPolarHBondContact OD1-CD1 3.1Å; N10-A36 WeakPolarHBondContact OD1-CB 3.24Å; N10-F120 PolarHBondContact ND2-O 3.32Å; N10-F120 PolarHBondContact OD1-N 3.06Å; N10-F120 PolarHBondContact OD1-O 2.92Å
11E97.5Very high89.1Confident102 Ų10262.2 Ų62.248%0.47731%0.314SS..Hα-helixtrans-62.5-43175.2-71178.6167.600111.3I7 E8 I14 N15I7-E11 HydrophobicContact CG2-CG 4.37Å; I7-E11 WeakPolarHBondContact O-CG 3.35Å; I7-E11 PolarHBondContact O-N 2.98Å; E8-E11 PolarHBondContact O-N 3.31Å; E11-I14 PolarHBondContact O-N 3.48Å; E11-N15 VanDerWaalsContact O-CB 3.27Å; E11-N15 WeakPolarHBondContact O-CB 3.28Å; E11-N15 PolarHBondContact O-N 3.46Å; E11-N15 PolarHBondContact O-ND2 3.03Å
12E97.9Very high92.2Very high54 Ų5454.1 Ų54.125%0.25228%0.283SS..Hα-helixtrans-59.5-47.1174-70.3174.6152.400112.1E8 F9 E16 T79 G80E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.87Å; F9-E12 PolarHBondContact O-N 3.29Å; E12-E16 PolarHBondContact O-N 2.78Å; E12-T79 WeakPolarHBondContact OE2-CA 3.21Å; E12-T79 WeakPolarHBondContact OE2-CB 3.27Å; E12-G80 PolarHBondContact OE2-N 3.33Å
13C98.5Very high94.6Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-58.3-52.1175.6-75.10000111.2F9 N10 N15 E16 H17 G80 F120F9-C13 PolarHBondContact O-N 3.23Å; F9-C13 PolarHBondContact O-SG 3.11Å; F9-C13 VanDerWaalsContact O-SG 3.38Å; N10-C13 PolarHBondContact O-N 2.96Å; C13-N15 PolarHBondContact O-N 3.23Å; C13-E16 PolarHBondContact O-N 2.72Å; C13-H17 WeakPolarHBondContact O-CB 3.33Å; C13-H17 PolarHBondContact O-N 3.41Å; C13-H17 PolarHBondContact O-ND1 3.07Å; C13-G80 WeakPolarHBondContact SG-CA 3.26Å; C13-G80 PolarHBondContact SG-O 3.28Å; C13-F120 HydrophobicContact CB-CB 4.34Å; C13-F120 HydrophobicContact CB-CD1 4.01Å; C13-F120 HydrophobicContact CB-CD2 3.34Å; C13-F120 HydrophobicContact CB-CE1 4.15Å; C13-F120 HydrophobicContact CB-CE2 3.5Å; C13-F120 HydrophobicContact CB-CG 3.62Å; C13-F120 HydrophobicContact CB-CZ 3.91Å
14I98.6Very high96.6Very high16 Ų1646.6 Ų46.68%0.08224%0.236CC..Hα-helixtrans-62-43.2-177.5-71.8-73.7000111.3N10 E11 H17 N18 L29 L31 A118 F120N10-I14 WeakPolarHBondContact O-CB 3.49Å; N10-I14 VanDerWaalsContact O-CG1 3.29Å; N10-I14 WeakPolarHBondContact O-CG1 3.26Å; N10-I14 PolarHBondContact O-N 3.41Å; E11-I14 PolarHBondContact O-N 3.48Å; I14-H17 PolarHBondContact O-N 3.34Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.45Å; I14-N18 VanDerWaalsContact O-CB 3.26Å; I14-N18 WeakPolarHBondContact O-CB 3.29Å; I14-N18 PolarHBondContact O-N 2.9Å; I14-N18 PolarHBondContact O-ND2 2.73Å; I14-L29 HydrophobicContact CD1-CB 4.26Å; I14-L31 HydrophobicContact CD1-CB 4.21Å; I14-L31 HydrophobicContact CD1-CD1 4.46Å; I14-L31 HydrophobicContact CG1-CB 4.01Å; I14-L31 HydrophobicContact CG1-CD1 4.1Å; I14-L31 HydrophobicContact CG1-CG 4.49Å; I14-A118 HydrophobicContact CD1-CB 4.42Å; I14-F120 HydrophobicContact CD1-CE2 3.85Å; I14-F120 HydrophobicContact CG1-CE2 4Å
15N98.5Very high97.4Very high111 Ų11143.2 Ų43.259%0.59423%0.229SC*.Hα-helixtrans-62-45.8178.6-73.7-28.9000111.4E11 C13 N18 R19E11-N15 VanDerWaalsContact O-CB 3.27Å; E11-N15 WeakPolarHBondContact O-CB 3.28Å; E11-N15 PolarHBondContact O-N 3.46Å; E11-N15 PolarHBondContact O-ND2 3.03Å; C13-N15 PolarHBondContact O-N 3.23Å; N15-N18 PolarHBondContact O-N 3.12Å; N15-R19 WeakPolarHBondContact O-CB 3.46Å; N15-R19 PolarHBondContact O-N 3.01Å
16E98.7Very high97.7Very high18 Ų1842.2 Ų42.28%0.08423%0.225CC..Hα-helixtrans-71.3-39.3179.8-17362.2-177.500112.2E12 C13 N18 R19 L20 A81 T84 K85E12-E16 PolarHBondContact O-N 2.78Å; C13-E16 PolarHBondContact O-N 2.72Å; E16-N18 VanDerWaalsContact C-N 3.35Å; E16-N18 PolarHBondContact O-N 3.04Å; E16-R19 PolarHBondContact O-N 3.09Å; E16-R19 IonicContact OE1-CZ 3.72Å; E16-R19 IonicContact OE1-NE 3.34Å; E16-R19 PolarHBondContact OE1-NE 3.19Å; E16-R19 IonicContact OE1-NH2 3.75Å; E16-R19 PolarHBondContact OE1-NH2 2.86Å; E16-R19 IonicContact OE2-CZ 2.87Å; E16-R19 IonicContact OE2-NE 2.83Å; E16-R19 PolarHBondContact OE2-NE 3.27Å; E16-R19 IonicContact OE2-NH2 2.78Å; E16-L20 HydrophobicContact CG-CD1 4.01Å; E16-L20 WeakPolarHBondContact O-CG 3.19Å; E16-L20 PolarHBondContact O-N 3.3Å; E16-A81 HydrophobicContact CB-CB 3.95Å; E16-A81 HydrophobicContact CG-CB 4.04Å; E16-T84 HydrophobicContact CB-CG2 4.08Å; E16-T84 HydrophobicContact CG-CG2 3.77Å; E16-K85 HydrophobicContact CG-CG 4.25Å; E16-K85 WeakPolarHBondContact OE1-CE 3.29Å; E16-K85 WeakPolarHBondContact OE1-CG 3.42Å
17H98.8Very high97.9Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-56.7-50.8172.5-83.372.7000110.2C13 I14 R19 L20 R21 L29 T84 W87 F120 Y137C13-H17 WeakPolarHBondContact O-CB 3.33Å; C13-H17 PolarHBondContact O-N 3.41Å; C13-H17 PolarHBondContact O-ND1 3.07Å; I14-H17 PolarHBondContact O-N 3.34Å; H17-R19 VanDerWaalsContact C-N 3.32Å; H17-R19 PolarHBondContact O-N 2.81Å; H17-L20 PolarHBondContact O-N 2.87Å; H17-R21 VanDerWaalsContact O-CB 3.28Å; H17-R21 WeakPolarHBondContact O-CB 3.36Å; H17-R21 WeakPolarHBondContact O-CG 3.45Å; H17-R21 PolarHBondContact O-N 3.1Å; H17-L29 HydrophobicContact CB-CD1 4.21Å; H17-T84 HydrophobicContact CB-CG2 4.48Å; H17-T84 VanDerWaalsContact CE1-CG2 3.49Å; H17-T84 WeakPolarHBondContact CE1-CG2 3.34Å; H17-T84 PolarHBondContact CE1-OG1 3.48Å; H17-T84 VanDerWaalsContact ND1-CG2 3.27Å; H17-T84 WeakPolarHBondContact ND1-CG2 3.28Å; H17-T84 PolarHBondContact ND1-OG1 3.35Å; H17-W87 AromaticContact CE1-CZ3 3.94Å; H17-F120 AromaticContact CE1-CE1 3.43Å; H17-F120 VanDerWaalsContact CE1-CE1 3.43Å; H17-F120 WeakPolarHBondContact CE1-CE1 3.31Å; H17-F120 AromaticContact CE1-CZ 3.44Å; H17-F120 VanDerWaalsContact CE1-CZ 3.44Å; H17-F120 WeakPolarHBondContact CE1-CZ 3.27Å; H17-F120 AromaticContact ND1-CZ 3.78Å; H17-F120 AromaticContact NE2-CE1 3.75Å; H17-F120 AromaticContact NE2-CZ 3.74Å; H17-Y137 AromaticContact NE2-CE1 3.7Å; H17-Y137 AromaticContact NE2-CZ 3.89Å; H17-Y137 PolarHBondContact NE2-OH 3.39Å; H17-Y137 VanDerWaalsContact NE2-OH 3.16Å
18N98.8Very high98.1Very high36 Ų3643.9 Ų43.919%0.19325%0.249CC..Hα-helixtrans-66.5-35-177.5-72-18.7000112.3I14 N15 E16 A22 A28 L29I14-N18 WeakPolarHBondContact CG2-ND2 3.45Å; I14-N18 VanDerWaalsContact O-CB 3.26Å; I14-N18 WeakPolarHBondContact O-CB 3.29Å; I14-N18 PolarHBondContact O-N 2.9Å; I14-N18 PolarHBondContact O-ND2 2.73Å; N15-N18 PolarHBondContact O-N 3.12Å; E16-N18 VanDerWaalsContact C-N 3.35Å; E16-N18 PolarHBondContact O-N 3.04Å; N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å; N18-A28 HydrophobicContact CB-CB 4.37Å; N18-A28 VanDerWaalsContact OD1-CA 3.31Å; N18-A28 WeakPolarHBondContact OD1-CA 3.2Å; N18-L29 PolarHBondContact ND2-O 3.13Å; N18-L29 VanDerWaalsContact ND2-O 3.07Å; N18-L29 PolarHBondContact OD1-N 3.26Å
19R98.5Very high98.3Very high122 Ų12238.1 Ų38.146%0.4622%0.222SC..Hα-helixtrans-61.4-44.7172.6-168.4-168.169.672-1.3111.6N15 E16 H17N15-R19 WeakPolarHBondContact O-CB 3.46Å; N15-R19 PolarHBondContact O-N 3.01Å; E16-R19 PolarHBondContact O-N 3.09Å; E16-R19 IonicContact OE1-CZ 3.72Å; E16-R19 IonicContact OE1-NE 3.34Å; E16-R19 PolarHBondContact OE1-NE 3.19Å; E16-R19 IonicContact OE1-NH2 3.75Å; E16-R19 PolarHBondContact OE1-NH2 2.86Å; E16-R19 IonicContact OE2-CZ 2.87Å; E16-R19 IonicContact OE2-NE 2.83Å; E16-R19 PolarHBondContact OE2-NE 3.27Å; E16-R19 IonicContact OE2-NH2 2.78Å; H17-R19 VanDerWaalsContact C-N 3.32Å; H17-R19 PolarHBondContact O-N 2.81Å
20L98.5Very high98.4Very high6 Ų643.2 Ų43.23%0.03125%0.248CC..Hα-helixtrans-73.3-46.1-179.5-69165.9000111.7E16 H17 A22 L23 H24 T84 Y88E16-L20 HydrophobicContact CG-CD1 4.01Å; E16-L20 WeakPolarHBondContact O-CG 3.19Å; E16-L20 PolarHBondContact O-N 3.3Å; H17-L20 PolarHBondContact O-N 2.87Å; L20-A22 PolarHBondContact O-N 3.35Å; L20-L23 HydrophobicContact CD2-CD1 4.21Å; L20-L23 VanDerWaalsContact O-CB 3.23Å; L20-L23 WeakPolarHBondContact O-CB 3.38Å; L20-L23 PolarHBondContact O-N 3.43Å; L20-H24 PolarHBondContact O-CD2 2.95Å; L20-T84 HydrophobicContact CD1-CG2 3.69Å; L20-Y88 HydrophobicContact CB-CD2 3.92Å; L20-Y88 HydrophobicContact CB-CE2 3.84Å; L20-Y88 HydrophobicContact CD1-CD1 4.37Å; L20-Y88 HydrophobicContact CD1-CD2 3.85Å; L20-Y88 HydrophobicContact CD1-CE2 4.48Å; L20-Y88 HydrophobicContact CD1-CG 3.76Å; L20-Y88 HydrophobicContact CD2-CD1 3.84Å; L20-Y88 HydrophobicContact CD2-CD2 4.02Å; L20-Y88 HydrophobicContact CD2-CE1 3.75Å; L20-Y88 HydrophobicContact CD2-CE2 3.91Å; L20-Y88 HydrophobicContact CD2-CG 3.96Å; L20-Y88 HydrophobicContact CG-CD2 4.15Å; L20-Y88 HydrophobicContact CG-CE2 4.29Å; L20-Y88 HydrophobicContact CG-CG 4.32Å
21R98.7Very high98.4Very high0 Ų045.1 Ų45.10%026%0.258CS..Hα-helixtrans-55-37.7174.7-74.6175.771.184.8-2.9112.6H17 L23 H24 G25 C26 P27 V110 W112 T115H17-R21 VanDerWaalsContact O-CB 3.28Å; H17-R21 WeakPolarHBondContact O-CB 3.36Å; H17-R21 WeakPolarHBondContact O-CG 3.45Å; H17-R21 PolarHBondContact O-N 3.1Å; R21-L23 PolarHBondContact O-N 2.99Å; R21-H24 CarbonylContact O-C 3.54Å; R21-H24 PolarHBondContact O-N 2.77Å; R21-G25 PolarHBondContact O-N 3.03Å; R21-G25 VanDerWaalsContact O-N 3.12Å; R21-C26 HydrophobicContact CB-CB 3.93Å; R21-C26 HydrophobicContact CG-CB 4.29Å; R21-C26 PolarHBondContact O-N 3.18Å; R21-P27 VanDerWaalsContact CZ-O 3.27Å; R21-P27 PolarHBondContact NE-O 2.8Å; R21-P27 PolarHBondContact NH2-O 2.99Å; R21-V110 WeakPolarHBondContact CD-O 3.18Å; R21-V110 VanDerWaalsContact CG-O 3.28Å; R21-V110 WeakPolarHBondContact CG-O 3.33Å; R21-V110 PolarHBondContact NH1-O 3.45Å; R21-W112 PolarHBondContact NH1-O 2.85Å; R21-W112 PolarHBondContact NH2-O 3.42Å; R21-W112 VanDerWaalsContact NH2-O 3.09Å; R21-T115 PolarHBondContact NH2-O 3.4Å
22A98.3Very high98.4Very high61 Ų6142.4 Ų42.450%0.50425%0.247SC..Hα-helixtrans-61.7-30.1175.400000113.2N18 L20 H24 G25N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å; L20-A22 PolarHBondContact O-N 3.35Å; A22-H24 PolarHBondContact O-N 3.35Å; A22-G25 PolarHBondContact O-N 2.98Å
23L98.2Very high98.3Very high66 Ų6645.8 Ų45.835%0.34626%0.258SS..Hα-helixtrans-66.4-24.4175.2-54.6178.6000112.5L20 R21 L154 I155L20-L23 HydrophobicContact CD2-CD1 4.21Å; L20-L23 VanDerWaalsContact O-CB 3.23Å; L20-L23 WeakPolarHBondContact O-CB 3.38Å; L20-L23 PolarHBondContact O-N 3.43Å; R21-L23 PolarHBondContact O-N 2.99Å; L23-L154 HydrophobicContact CB-CD2 3.71Å; L23-L154 HydrophobicContact CD1-CD2 4.49Å; L23-I155 PolarHBondContact O-N 2.89Å
24H98.1Very high98.2Very high5 Ų551.5 Ų51.52%0.02329%0.285CS..THydrogen-bonded Turntrans-100.5-3.6-179.7-70.2-90.7000112.7L20 R21 A22 C26 Y88 F107 P152L20-H24 PolarHBondContact O-CD2 2.95Å; R21-H24 CarbonylContact O-C 3.54Å; R21-H24 PolarHBondContact O-N 2.77Å; A22-H24 PolarHBondContact O-N 3.35Å; H24-C26 VanDerWaalsContact C-N 3.25Å; H24-C26 PolarHBondContact O-N 2.81Å; H24-Y88 AromaticContact CD2-CE2 3.96Å; H24-Y88 AromaticContact NE2-CE2 3.47Å; H24-Y88 WeakPolarHBondContact NE2-CE2 3.24Å; H24-Y88 AromaticContact NE2-CZ 3.53Å; H24-Y88 PolarHBondContact NE2-OH 3.11Å; H24-F107 AromaticContact CE1-CE2 3.87Å; H24-F107 AromaticContact CE1-CZ 3.72Å; H24-F107 AromaticContact NE2-CE2 3.84Å; H24-P152 HydrophobicContact CB-CG 4.14Å; H24-P152 PolarHBondContact ND1-O 3.45Å; H24-P152 WeakPolarHBondContact O-CG 3.35Å
25G97.6Very high98.1Very high46 Ų4651.6 Ų51.647%0.47429%0.285SS..THydrogen-bonded Turntrans72.318.2-174.700000114R21 A22R21-G25 PolarHBondContact O-N 3.03Å; R21-G25 VanDerWaalsContact O-N 3.12Å; A22-G25 PolarHBondContact O-N 2.98Å
26C98.4Very high98.1Very high9 Ų946.3 Ų46.36%0.06126%0.257CS..PPolyproline II helixtrans-79.9143.8176.7-64.10000110.8R21 H24 V111 P152R21-C26 HydrophobicContact CB-CB 3.93Å; R21-C26 HydrophobicContact CG-CB 4.29Å; R21-C26 PolarHBondContact O-N 3.18Å; H24-C26 VanDerWaalsContact C-N 3.25Å; H24-C26 PolarHBondContact O-N 2.81Å; C26-V111 PolarHBondContact SG-O 3.23Å; C26-P152 WeakPolarHBondContact SG-CG 3.37Å
27P98.4Very high97.9Very high75 Ų7548.5 Ų48.549%0.48727%0.266SS..PPolyproline II helixtrans-58.1148.5174-22.633.1000112R21R21-P27 VanDerWaalsContact CZ-O 3.27Å; R21-P27 PolarHBondContact NE-O 2.8Å; R21-P27 PolarHBondContact NH2-O 2.99Å
28A98.7Very high97.8Very high68 Ų6851.5 Ų51.556%0.56228%0.283SS*.PPolyproline II helixtrans-64.9137.517500000111.4N18N18-A28 HydrophobicContact CB-CB 4.37Å; N18-A28 VanDerWaalsContact OD1-CA 3.31Å; N18-A28 WeakPolarHBondContact OD1-CA 3.2Å
29L98.8Very high97.7Very high5 Ų549.8 Ų49.83%0.02627%0.273CS..PPolyproline II helixtrans-73.4148.5169.5-60.6179000110.9I14 H17 N18 T115 I116 A118I14-L29 HydrophobicContact CD1-CB 4.26Å; H17-L29 HydrophobicContact CB-CD1 4.21Å; N18-L29 PolarHBondContact ND2-O 3.13Å; N18-L29 VanDerWaalsContact ND2-O 3.07Å; N18-L29 PolarHBondContact OD1-N 3.26Å; L29-T115 HydrophobicContact CD2-CG2 3.73Å; L29-T115 VanDerWaalsContact CD2-O 3.24Å; L29-T115 WeakPolarHBondContact CD2-O 3.48Å; L29-I116 WeakPolarHBondContact CA-O 3.48Å; L29-A118 HydrophobicContact CD1-CB 4Å
30I98.5Very high97.6Very high108 Ų10844.6 Ų44.655%0.55425%0.254SS*.EExtended strand (participates in β ladder)trans-106.8134.8173.5-57.5171.2000108.9N32 I116 T117 A118I30-N32 PolarHBondContact O-N 3.49Å; I30-I116 PolarHBondContact N-O 3.32Å; I30-T117 HydrophobicContact CB-CG2 4.36Å; I30-T117 WeakPolarHBondContact O-CA 3.48Å; I30-T117 WeakPolarHBondContact O-CB 3.47Å; I30-A118 PolarHBondContact O-N 3.47Å
31L98.3Very high97.5Very high39 Ų3951.8 Ų51.820%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-64.4125.7174.9-176.851.4000110.8N10 I14 Y33 A118N10-L31 HydrophobicContact CB-CD1 3.83Å; N10-L31 HydrophobicContact CB-CD2 3.93Å; N10-L31 WeakPolarHBondContact OD1-CD1 3.1Å; I14-L31 HydrophobicContact CD1-CB 4.21Å; I14-L31 HydrophobicContact CD1-CD1 4.46Å; I14-L31 HydrophobicContact CG1-CB 4.01Å; I14-L31 HydrophobicContact CG1-CD1 4.1Å; I14-L31 HydrophobicContact CG1-CG 4.49Å; L31-Y33 HydrophobicContact CD2-CD1 4.09Å; L31-Y33 HydrophobicContact CD2-CE1 3.48Å; L31-Y33 VanDerWaalsContact CD2-CE1 3.48Å; L31-Y33 HydrophobicContact CG-CD1 3.94Å; L31-Y33 HydrophobicContact CG-CE1 3.76Å; L31-A118 WeakPolarHBondContact CA-O 3.28Å
32N97.7Very high97.4Very high46 Ų4653.3 Ų53.325%0.24629%0.291CS..  trans-112114.9173-178.5-25.7000110I30 E34 L35 A36 T117 A118I30-N32 PolarHBondContact O-N 3.49Å; N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 PolarHBondContact O-N 2.91Å; N32-E34 PolarHBondContact OD1-N 3.27Å; N32-L35 HydrophobicContact CB-CB 4.16Å; N32-L35 HydrophobicContact CB-CD1 4Å; N32-L35 HydrophobicContact CB-CG 4.02Å; N32-L35 PolarHBondContact O-N 2.83Å; N32-L35 PolarHBondContact OD1-N 3.34Å; N32-A36 PolarHBondContact O-N 3.04Å; N32-T117 PolarHBondContact ND2-OG1 2.83Å; N32-A118 PolarHBondContact N-O 3.21Å
33Y95.7Very high97.3Very high124 Ų12450.4 Ų50.449%0.48627%0.267SS..Hα-helixtrans-70.4-25.6-175.8-63.7-34.7000114.3F5 L31 A36 K37F5-Y33 AromaticContact CE2-CD1 3.68Å; F5-Y33 HydrophobicContact CE2-CD1 3.68Å; F5-Y33 HydrophobicContact CE2-CE1 4.1Å; F5-Y33 HydrophobicContact CE2-CG 4.44Å; F5-Y33 AromaticContact CZ-CD1 3.46Å; F5-Y33 HydrophobicContact CZ-CD1 3.46Å; F5-Y33 VanDerWaalsContact CZ-CD1 3.46Å; F5-Y33 HydrophobicContact CZ-CE1 4.11Å; F5-Y33 AromaticContact CZ-CG 3.76Å; F5-Y33 HydrophobicContact CZ-CG 3.76Å; L31-Y33 HydrophobicContact CD2-CD1 4.09Å; L31-Y33 HydrophobicContact CD2-CE1 3.48Å; L31-Y33 VanDerWaalsContact CD2-CE1 3.48Å; L31-Y33 HydrophobicContact CG-CD1 3.94Å; L31-Y33 HydrophobicContact CG-CE1 3.76Å; Y33-A36 PolarHBondContact O-N 3.47Å; Y33-K37 VanDerWaalsContact O-CG 3.28Å; Y33-K37 WeakPolarHBondContact O-CG 3.34Å; Y33-K37 PolarHBondContact O-N 3.29Å
34E95.7Very high97.1Very high120 Ų12051.6 Ų51.656%0.56127%0.271SS*.Hα-helixtrans-72.5-40.3174.7-64.1-54.3130.900110.6N32 A36 K37 D38N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 PolarHBondContact O-N 2.91Å; N32-E34 PolarHBondContact OD1-N 3.27Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 3.48Å; E34-K37 PolarHBondContact O-N 3Å; E34-K37 IonicContact OE1-NZ 2.77Å; E34-K37 PolarHBondContact OE1-NZ 3.41Å; E34-K37 IonicContact OE2-NZ 3.79Å; E34-D38 PolarHBondContact O-N 3.07Å
35L97.3Very high97Very high18 Ų1855.9 Ų55.99%0.09429%0.291CS..Hα-helixtrans-62.9-37.9170.8-65.3-174.4000112.1N32 D38 A39 S60 R136 D138N32-L35 HydrophobicContact CB-CB 4.16Å; N32-L35 HydrophobicContact CB-CD1 4Å; N32-L35 HydrophobicContact CB-CG 4.02Å; N32-L35 PolarHBondContact O-N 2.83Å; N32-L35 PolarHBondContact OD1-N 3.34Å; L35-D38 PolarHBondContact O-N 3.32Å; L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.05Å; L35-S60 WeakPolarHBondContact CD2-OG 3.47Å; L35-R136 HydrophobicContact CB-CB 3.94Å; L35-R136 HydrophobicContact CD1-CB 4.47Å; L35-R136 HydrophobicContact CD2-CB 4.25Å; L35-R136 HydrophobicContact CG-CB 4.44Å; L35-D138 HydrophobicContact CD1-CB 3.81Å
36A97.5Very high96.9Very high0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-66-40.917800000112.3F5 N10 N32 Y33 E34 Q40F5-A36 HydrophobicContact CB-CB 4.35Å; F5-A36 HydrophobicContact CD1-CB 4.32Å; F5-A36 HydrophobicContact CD2-CB 3.81Å; F5-A36 HydrophobicContact CE2-CB 4.17Å; F5-A36 HydrophobicContact CG-CB 3.91Å; N10-A36 WeakPolarHBondContact OD1-CB 3.24Å; N32-A36 PolarHBondContact O-N 3.04Å; Y33-A36 PolarHBondContact O-N 3.47Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 3.48Å; A36-Q40 VanDerWaalsContact O-CB 3.32Å; A36-Q40 WeakPolarHBondContact O-CB 3.45Å; A36-Q40 PolarHBondContact O-N 3.19Å
37K96.2Very high96.7Very high64 Ų6453.6 Ų53.628%0.27827%0.268SS..Hα-helixtrans-61.8-44.5173.3-73.7170.7-172.8168.20111.9D4 F5 Y33 E34 Q40 K41D4-K37 HydrophobicContact CB-CG 4.19Å; F5-K37 HydrophobicContact CD1-CB 4.47Å; F5-K37 HydrophobicContact CD1-CG 3.49Å; F5-K37 VanDerWaalsContact CD1-CG 3.49Å; F5-K37 HydrophobicContact CE1-CG 3.8Å; Y33-K37 VanDerWaalsContact O-CG 3.28Å; Y33-K37 WeakPolarHBondContact O-CG 3.34Å; Y33-K37 PolarHBondContact O-N 3.29Å; E34-K37 PolarHBondContact O-N 3Å; E34-K37 IonicContact OE1-NZ 2.77Å; E34-K37 PolarHBondContact OE1-NZ 3.41Å; E34-K37 IonicContact OE2-NZ 3.79Å; K37-Q40 PolarHBondContact O-N 3.24Å; K37-K41 PolarHBondContact O-N 3.45Å
38D95.6Very high96.5Very high64 Ų6453.1 Ų53.134%0.34227%0.267SS..Hα-helixtrans-63.8-49178.3-174.771000111.5E34 L35 Q40 K41 Y42 R136E34-D38 PolarHBondContact O-N 3.07Å; L35-D38 PolarHBondContact O-N 3.32Å; D38-Q40 VanDerWaalsContact C-N 3.27Å; D38-Q40 PolarHBondContact O-N 2.93Å; D38-K41 WeakPolarHBondContact O-CB 3.47Å; D38-K41 PolarHBondContact O-N 2.9Å; D38-Y42 PolarHBondContact O-N 2.77Å; D38-R136 IonicContact OD2-CZ 3.49Å; D38-R136 VanDerWaalsContact OD2-CZ 3.29Å; D38-R136 IonicContact OD2-NE 4Å; D38-R136 PolarHBondContact OD2-NE 2.93Å; D38-R136 IonicContact OD2-NH2 3.37Å; D38-R136 PolarHBondContact OD2-NH2 3.12Å
39A97.3Very high96.3Very high0 Ų052.8 Ų52.80%026%0.257CS..Hα-helixtrans-56.7-41.2175.400000111.9L35 Y42 A43 V134 R136L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.05Å; A39-Y42 PolarHBondContact O-N 2.96Å; A39-A43 WeakPolarHBondContact O-CB 3.4Å; A39-A43 PolarHBondContact O-N 3.44Å; A39-V134 HydrophobicContact CB-CB 4.16Å; A39-V134 HydrophobicContact CB-CG1 4.01Å; A39-R136 HydrophobicContact CB-CB 4.47Å; A39-R136 HydrophobicContact CB-CG 3.79Å
40Q96.9Very high96Very high13 Ų1357 Ų576%0.06128%0.28CS..Hα-helixtrans-64.2-47.1177.5-17762.939.900111.8F5 A36 K37 D38 Y42 A43 E44 R122F5-Q40 HydrophobicContact CB-CB 3.94Å; F5-Q40 HydrophobicContact CB-CG 4.27Å; A36-Q40 VanDerWaalsContact O-CB 3.32Å; A36-Q40 WeakPolarHBondContact O-CB 3.45Å; A36-Q40 PolarHBondContact O-N 3.19Å; K37-Q40 PolarHBondContact O-N 3.24Å; D38-Q40 VanDerWaalsContact C-N 3.27Å; D38-Q40 PolarHBondContact O-N 2.93Å; Q40-Y42 VanDerWaalsContact C-N 3.28Å; Q40-Y42 PolarHBondContact O-N 3.37Å; Q40-A43 PolarHBondContact O-N 3.37Å; Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.48Å; Q40-E44 PolarHBondContact O-N 3.13Å; Q40-R122 PolarHBondContact NE2-O 2.85Å; Q40-R122 PolarHBondContact OE1-O 2.84Å
41K95.4Very high95.6Very high156 Ų15656.8 Ų56.868%0.67828%0.276SS*.Hα-helixtrans-56.9-43.9174.9-94.4-178.7175.7175.90111.8K37 D38 E44 H45K37-K41 PolarHBondContact O-N 3.45Å; D38-K41 WeakPolarHBondContact O-CB 3.47Å; D38-K41 PolarHBondContact O-N 2.9Å; K41-E44 PolarHBondContact O-N 3.41Å; K41-H45 PolarHBondContact O-N 3.05Å
42Y96.3Very high95.2Very high33 Ų3358.9 Ų58.913%0.12929%0.287CS..Hα-helixtrans-70.2-39.6-179.2-161.8-115.5000111.8D38 A39 Q40 E44 H45 L46 E53 H54 C55 E62 L64 V134D38-Y42 PolarHBondContact O-N 2.77Å; A39-Y42 PolarHBondContact O-N 2.96Å; Q40-Y42 VanDerWaalsContact C-N 3.28Å; Q40-Y42 PolarHBondContact O-N 3.37Å; Y42-E44 VanDerWaalsContact C-N 3.3Å; Y42-E44 PolarHBondContact O-N 2.99Å; Y42-H45 AromaticContact CE2-CD2 3.81Å; Y42-H45 WeakPolarHBondContact O-CB 3.23Å; Y42-H45 PolarHBondContact O-N 3.42Å; Y42-H45 VanDerWaalsContact O-N 3.12Å; Y42-L46 HydrophobicContact CD1-CD1 3.94Å; Y42-L46 HydrophobicContact CD1-CG 4.17Å; Y42-L46 HydrophobicContact CE1-CD1 3.83Å; Y42-L46 HydrophobicContact CE1-CD2 3.89Å; Y42-L46 HydrophobicContact CE1-CG 3.94Å; Y42-L46 WeakPolarHBondContact O-CG 2.99Å; Y42-L46 PolarHBondContact O-N 2.86Å; Y42-E53 WeakPolarHBondContact CE1-O 3.15Å; Y42-E53 PolarHBondContact OH-O 3.3Å; Y42-H54 VanDerWaalsContact OH-C 3.29Å; Y42-H54 PolarHBondContact OH-O 2.82Å; Y42-C55 HydrophobicContact CD1-CB 4.06Å; Y42-C55 HydrophobicContact CD2-CB 4.13Å; Y42-C55 HydrophobicContact CE1-CB 3.63Å; Y42-C55 HydrophobicContact CE2-CB 3.7Å; Y42-C55 HydrophobicContact CG-CB 4.31Å; Y42-C55 VanDerWaalsContact CZ-CA 3.48Å; Y42-C55 VanDerWaalsContact CZ-CB 3.45Å; Y42-C55 VanDerWaalsContact OH-CA 3.27Å; Y42-C55 WeakPolarHBondContact OH-CA 3.23Å; Y42-C55 PolarHBondContact OH-N 3.01Å; Y42-E62 WeakPolarHBondContact CE1-OE2 3.34Å; Y42-L64 HydrophobicContact CD1-CD2 4.48Å; Y42-L64 HydrophobicContact CE1-CD2 4.38Å; Y42-V134 HydrophobicContact CD1-CG1 4.18Å; Y42-V134 HydrophobicContact CD1-CG2 3.87Å
43A96.3Very high94.9Very high0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-58.5-43.1173.700000111.6A39 Q40 H45 L46 A47 A123 V134A39-A43 WeakPolarHBondContact O-CB 3.4Å; A39-A43 PolarHBondContact O-N 3.44Å; Q40-A43 PolarHBondContact O-N 3.37Å; A43-H45 VanDerWaalsContact C-N 3.35Å; A43-L46 PolarHBondContact O-N 3.28Å; A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.84Å; A43-A123 VanDerWaalsContact C-CB 3.46Å; A43-A123 HydrophobicContact CB-CB 4.06Å; A43-A123 WeakPolarHBondContact O-CB 3.49Å; A43-V134 HydrophobicContact CB-CB 4.44Å; A43-V134 HydrophobicContact CB-CG2 3.8Å
44E95.2Very high94.4Very high90 Ų9061.9 Ų61.942%0.42130%0.304SS..Hα-helixtrans-64-38.4175.4-72.2170.8-174.300112.5Q40 K41 Y42 S48 A123Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.48Å; Q40-E44 PolarHBondContact O-N 3.13Å; K41-E44 PolarHBondContact O-N 3.41Å; Y42-E44 VanDerWaalsContact C-N 3.3Å; Y42-E44 PolarHBondContact O-N 2.99Å; E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.13Å; E44-A123 HydrophobicContact CB-CB 4.4Å; E44-A123 HydrophobicContact CG-CB 3.92Å
45H95Very high93.8Very high95 Ų9557.4 Ų57.444%0.4429%0.286SS..Hα-helixtrans-60.1-54.2172.7175.564.4000111.1K41 Y42 A43 A47 S48 V49K41-H45 PolarHBondContact O-N 3.05Å; Y42-H45 AromaticContact CE2-CD2 3.81Å; Y42-H45 WeakPolarHBondContact O-CB 3.23Å; Y42-H45 PolarHBondContact O-N 3.42Å; Y42-H45 VanDerWaalsContact O-N 3.12Å; A43-H45 VanDerWaalsContact C-N 3.35Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.16Å; H45-S48 WeakPolarHBondContact O-CA 3.36Å; H45-S48 WeakPolarHBondContact O-CB 3.39Å; H45-S48 PolarHBondContact O-N 3.35Å; H45-S48 PolarHBondContact O-OG 2.87Å; H45-V49 WeakPolarHBondContact O-CG2 3.37Å; H45-V49 PolarHBondContact O-N 3.08Å; H45-V49 VanDerWaalsContact O-N 3.13Å
46L95.7Very high93.3Very high2 Ų263.7 Ų63.71%0.0133%0.325CS..Hα-helixtrans-54.8-45178.3-66175.7000111.7Y42 A43 S48 V49 N50 E51 L52 L64 Y132 V134Y42-L46 HydrophobicContact CD1-CD1 3.94Å; Y42-L46 HydrophobicContact CD1-CG 4.17Å; Y42-L46 HydrophobicContact CE1-CD1 3.83Å; Y42-L46 HydrophobicContact CE1-CD2 3.89Å; Y42-L46 HydrophobicContact CE1-CG 3.94Å; Y42-L46 WeakPolarHBondContact O-CG 2.99Å; Y42-L46 PolarHBondContact O-N 2.86Å; A43-L46 PolarHBondContact O-N 3.28Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.46Å; L46-V49 PolarHBondContact O-N 3.09Å; L46-N50 WeakPolarHBondContact O-CA 3.48Å; L46-N50 PolarHBondContact O-N 2.82Å; L46-E51 WeakPolarHBondContact CB-O 3.47Å; L46-E51 WeakPolarHBondContact CD2-O 3.24Å; L46-E51 PolarHBondContact O-N 2.83Å; L46-L52 HydrophobicContact CD1-CD1 4.45Å; L46-L64 HydrophobicContact CD1-CD1 4.46Å; L46-L64 HydrophobicContact CD1-CD2 3.98Å; L46-Y132 HydrophobicContact CB-CD1 3.66Å; L46-Y132 HydrophobicContact CB-CE1 4.34Å; L46-Y132 HydrophobicContact CB-CG 4.06Å; L46-V134 HydrophobicContact CD1-CG2 3.81Å
47A94.7Very high92.8Very high6 Ų670.8 Ų70.85%0.0536%0.363CS..Hα-helixtrans-65.9-27.2176.500000114A43 H45 N50 A123 Y132A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.84Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.16Å; A47-N50 PolarHBondContact O-OD1 3.2Å; A47-A123 HydrophobicContact CB-CB 3.69Å; A47-Y132 HydrophobicContact CB-CD2 3.57Å; A47-Y132 HydrophobicContact CB-CE2 4.07Å; A47-Y132 HydrophobicContact CB-CG 4.22Å
48S94.1Very high92.3Very high65 Ų6569.7 Ų69.746%0.45536%0.362SS..Hα-helixtrans-76.9-34.6178.679.50000113E44 H45 L46E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.13Å; H45-S48 WeakPolarHBondContact O-CA 3.36Å; H45-S48 WeakPolarHBondContact O-CB 3.39Å; H45-S48 PolarHBondContact O-N 3.35Å; H45-S48 PolarHBondContact O-OG 2.87Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.46Å
49V94.1Very high92Very high61 Ų6174.2 Ų74.237%0.3739%0.386SS..Hα-helixtrans-93.1-15.1178.4-60.50000112.8H45 L46 E51H45-V49 WeakPolarHBondContact O-CG2 3.37Å; H45-V49 PolarHBondContact O-N 3.08Å; H45-V49 VanDerWaalsContact O-N 3.13Å; L46-V49 PolarHBondContact O-N 3.09Å; V49-E51 HydrophobicContact CG2-CB 3.92Å; V49-E51 HydrophobicContact CG2-CG 4.32Å
50N91.8Very high91.9Very high93 Ų9375.5 Ų75.550%0.49740%0.395SS..THydrogen-bonded Turntrans61.137.4-174.4-52.3-74.5000114.3L46 A47 Y132L46-N50 WeakPolarHBondContact O-CA 3.48Å; L46-N50 PolarHBondContact O-N 2.82Å; A47-N50 PolarHBondContact O-OD1 3.2Å; N50-Y132 VanDerWaalsContact C-OH 3.28Å; N50-Y132 WeakPolarHBondContact CA-OH 3.33Å; N50-Y132 PolarHBondContact O-OH 3.37Å
51E91.1Very high91.9Very high103 Ų10375.2 Ų75.248%0.48140%0.396SS..  trans-123.8153.5-179.1-66.3174170.100109.9L46 V49 E53 Y132L46-E51 WeakPolarHBondContact CB-O 3.47Å; L46-E51 WeakPolarHBondContact CD2-O 3.24Å; L46-E51 PolarHBondContact O-N 2.83Å; V49-E51 HydrophobicContact CG2-CB 3.92Å; V49-E51 HydrophobicContact CG2-CG 4.32Å; E51-E53 HydrophobicContact CB-CG 4.47Å; E51-Y132 VanDerWaalsContact O-CE1 3.25Å; E51-Y132 WeakPolarHBondContact O-CE1 3.36Å
52L89.1Confident92Very high83 Ų8368.9 Ų68.944%0.43537%0.368SS..  trans-118.184.5175.7-167.476.2000108.2L46 L64 F66 Y132L46-L52 HydrophobicContact CD1-CD1 4.45Å; L52-L64 HydrophobicContact CD1-CB 3.96Å; L52-L64 HydrophobicContact CD1-CD1 4.33Å; L52-L64 HydrophobicContact CG-CB 4.26Å; L52-L64 HydrophobicContact CG-CD1 4.29Å; L52-F66 HydrophobicContact CD1-CB 3.99Å; L52-F66 HydrophobicContact CD2-CB 3.74Å; L52-F66 HydrophobicContact CG-CB 4.38Å; L52-Y132 HydrophobicContact CD1-CD1 4.11Å
53E91.1Very high92.1Very high122 Ų12267.3 Ų67.357%0.5736%0.363SS*.  trans-125.1141.5-178.9-64.2-166.2164.200110.7Y42 E51 L64Y42-E53 WeakPolarHBondContact CE1-O 3.15Å; Y42-E53 PolarHBondContact OH-O 3.3Å; E51-E53 HydrophobicContact CB-CG 4.47Å; E53-L64 VanDerWaalsContact C-CD1 3.48Å; E53-L64 WeakPolarHBondContact O-CD1 3.31Å
54H85.3Confident92.1Very high112 Ų11267.8 Ų67.852%0.51937%0.365SS..  trans-63.2141.5176.8-78.8-69.7000111.8Y42 T56 E62Y42-H54 VanDerWaalsContact OH-C 3.29Å; Y42-H54 PolarHBondContact OH-O 2.82Å; H54-T56 PolarHBondContact O-N 3.01Å; H54-E62 WeakPolarHBondContact CA-OE1 3.37Å; H54-E62 WeakPolarHBondContact CB-OE1 3.27Å; H54-E62 IonicContact CE1-OE1 2.69Å; H54-E62 IonicContact CG-OE1 3.53Å; H54-E62 IonicContact ND1-OE1 3.75Å; H54-E62 PolarHBondContact ND1-OE1 2.91Å
55C83.8Confident92.1Very high26 Ų2663.7 Ų63.718%0.17635%0.347CS..  trans-68.8127.8176.5-167.40000109.9Y42 T58 E62Y42-C55 HydrophobicContact CD1-CB 4.06Å; Y42-C55 HydrophobicContact CD2-CB 4.13Å; Y42-C55 HydrophobicContact CE1-CB 3.63Å; Y42-C55 HydrophobicContact CE2-CB 3.7Å; Y42-C55 HydrophobicContact CG-CB 4.31Å; Y42-C55 VanDerWaalsContact CZ-CA 3.48Å; Y42-C55 VanDerWaalsContact CZ-CB 3.45Å; Y42-C55 VanDerWaalsContact OH-CA 3.27Å; Y42-C55 WeakPolarHBondContact OH-CA 3.23Å; Y42-C55 PolarHBondContact OH-N 3.01Å; C55-T58 HydrophobicContact CB-CG2 3.9Å; C55-T58 WeakPolarHBondContact O-CG2 3.49Å; C55-E62 VanDerWaalsContact CB-OE2 3.24Å; C55-E62 WeakPolarHBondContact CB-OE2 3.47Å; C55-E62 PolarHBondContact N-OE1 3.45Å; C55-E62 PolarHBondContact N-OE2 2.87Å
56T86.4Confident92.1Very high149 Ų14963.2 Ų63.291%0.91434%0.343SS*.SBendtrans-88-10.1177.154.70000113.6H54H54-T56 PolarHBondContact O-N 3.01Å
57D87Confident92Very high149 Ų14965 Ų6580%0.79735%0.351SS*.SBendtrans-118.460.6-174.7-168.226.2000110.4
58T86.4Confident91.9Very high41 Ų4169.6 Ų69.625%0.25238%0.379SS..  trans-149.6137.2-180176.40000110.1C55 S60 R136C55-T58 HydrophobicContact CB-CG2 3.9Å; C55-T58 WeakPolarHBondContact O-CG2 3.49Å; T58-S60 PolarHBondContact OG1-N 2.7Å; T58-S60 VanDerWaalsContact OG1-N 3.09Å; T58-S60 PolarHBondContact OG1-O 3.37Å; T58-R136 VanDerWaalsContact CG2-NH1 3.34Å; T58-R136 PolarHBondContact OG1-NH1 3Å
59D89.9Confident91.7Very high159 Ų15969.1 Ų69.185%0.8537%0.373SS*.SBendtrans-94-6.9169.8-66.4-37000112.3
60S94.3Very high91.6Very high27 Ų2773 Ų7319%0.18940%0.397CS..SBendtrans-84.9151.6176.7-59.60000111.4L35 T58 Y137L35-S60 WeakPolarHBondContact CD2-OG 3.47Å; T58-S60 PolarHBondContact OG1-N 2.7Å; T58-S60 VanDerWaalsContact OG1-N 3.09Å; T58-S60 PolarHBondContact OG1-O 3.37Å; S60-Y137 WeakPolarHBondContact CA-O 3.29Å; S60-Y137 WeakPolarHBondContact CB-O 3.42Å
61G96.6Very high91.6Very high8 Ų871.3 Ų71.38%0.08240%0.396CS..EExtended strand (participates in β ladder)trans-62.8154.8168.300000110.3R136 Y137G61-R136 VanDerWaalsContact O-CA 3.32Å; G61-R136 WeakPolarHBondContact O-CA 3.38Å; G61-Y137 PolarHBondContact N-O 3.42Å; G61-Y137 PolarHBondContact O-N 2.94Å
62E97.7Very high91.5Very high22 Ų2271.1 Ų71.110%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-138.3132.5-175.2-170.1178.668.400112.2Y42 H54 C55 L64 V134 G135 R136Y42-E62 WeakPolarHBondContact CE1-OE2 3.34Å; H54-E62 WeakPolarHBondContact CA-OE1 3.37Å; H54-E62 WeakPolarHBondContact CB-OE1 3.27Å; H54-E62 IonicContact CE1-OE1 2.69Å; H54-E62 IonicContact CG-OE1 3.53Å; H54-E62 IonicContact ND1-OE1 3.75Å; H54-E62 PolarHBondContact ND1-OE1 2.91Å; C55-E62 VanDerWaalsContact CB-OE2 3.24Å; C55-E62 WeakPolarHBondContact CB-OE2 3.47Å; C55-E62 PolarHBondContact N-OE1 3.45Å; C55-E62 PolarHBondContact N-OE2 2.87Å; E62-L64 HydrophobicContact CG-CD2 3.87Å; E62-L64 HydrophobicContact CG-CG 4.16Å; E62-V134 HydrophobicContact CG-CG1 4.38Å; E62-G135 VanDerWaalsContact CA-O 3.28Å; E62-G135 WeakPolarHBondContact CA-O 3.49Å; E62-R136 VanDerWaalsContact CD-NH1 3.31Å; E62-R136 IonicContact OE2-CZ 3.71Å; E62-R136 IonicContact OE2-NH1 3.29Å; E62-R136 PolarHBondContact OE2-NH1 3.35Å; E62-R136 IonicContact OE2-NH2 3.42Å
63N98.1Very high91.5Very high1 Ų167.2 Ų67.21%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-117.5137.4160.1-76.2-0.2000109.1W87 H106 Q109 V134 G135 Y137N63-W87 HydrophobicContact CB-CD2 3.73Å; N63-W87 VanDerWaalsContact CB-CE2 3.47Å; N63-W87 HydrophobicContact CB-CE3 4.14Å; N63-W87 HydrophobicContact CB-CG 4.2Å; N63-W87 HydrophobicContact CB-CH2 4.12Å; N63-W87 HydrophobicContact CB-CZ2 3.69Å; N63-W87 HydrophobicContact CB-CZ3 4.32Å; N63-H106 PolarHBondContact ND2-O 3.4Å; N63-H106 WeakPolarHBondContact OD1-CA 3.43Å; N63-Q109 WeakPolarHBondContact OD1-CB 3.38Å; N63-V134 CarbonylContact O-C 3.59Å; N63-V134 WeakPolarHBondContact O-CA 3.39Å; N63-G135 PolarHBondContact N-O 2.94Å; N63-G135 PolarHBondContact O-N 3.38Å; N63-Y137 HydrophobicContact CB-CE2 3.82Å; N63-Y137 PolarHBondContact ND2-OH 3.13Å
64L96.8Very high91.3Very high9 Ų965 Ų655%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-114145.1173.3-60.5-175.4000109.8Y42 L46 L52 E53 E62 W87 V133 V134Y42-L64 HydrophobicContact CD1-CD2 4.48Å; Y42-L64 HydrophobicContact CE1-CD2 4.38Å; L46-L64 HydrophobicContact CD1-CD1 4.46Å; L46-L64 HydrophobicContact CD1-CD2 3.98Å; L52-L64 HydrophobicContact CD1-CB 3.96Å; L52-L64 HydrophobicContact CD1-CD1 4.33Å; L52-L64 HydrophobicContact CG-CB 4.26Å; L52-L64 HydrophobicContact CG-CD1 4.29Å; E53-L64 VanDerWaalsContact C-CD1 3.48Å; E53-L64 WeakPolarHBondContact O-CD1 3.31Å; E62-L64 HydrophobicContact CG-CD2 3.87Å; E62-L64 HydrophobicContact CG-CG 4.16Å; L64-W87 VanDerWaalsContact C-NE1 3.34Å; L64-W87 PolarHBondContact O-NE1 2.95Å; L64-V133 CarbonylContact C-O 3.53Å; L64-V133 WeakPolarHBondContact CA-O 3.33Å; L64-V134 HydrophobicContact CD2-CB 4.21Å; L64-V134 HydrophobicContact CD2-CG1 4.08Å; L64-V134 HydrophobicContact CD2-CG2 3.72Å
65A95.3Very high91.1Very high5 Ų564 Ų644%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-139.4151.6166.100000111F67 W87 V133A65-F67 HydrophobicContact CB-CD2 4.41Å; A65-F67 HydrophobicContact CB-CE2 3.43Å; A65-F67 VanDerWaalsContact CB-CE2 3.43Å; A65-F67 HydrophobicContact CB-CZ 3.84Å; A65-W87 HydrophobicContact CB-CZ2 4.07Å; A65-V133 HydrophobicContact CB-CB 4.19Å; A65-V133 PolarHBondContact N-O 2.84Å; A65-V133 PolarHBondContact O-N 3.08Å
66F94.1Very high91.2Very high84 Ų8470.9 Ų70.937%0.36839%0.388SS..EExtended strand (participates in β ladder)trans-134.2128.7-178.4178.9-106.1000109.9L52 T68 I131 Y132L52-F66 HydrophobicContact CD1-CB 3.99Å; L52-F66 HydrophobicContact CD2-CB 3.74Å; L52-F66 HydrophobicContact CG-CB 4.38Å; F66-T68 HydrophobicContact CD1-CG2 4.2Å; F66-T68 HydrophobicContact CE1-CG2 3.29Å; F66-T68 HydrophobicContact CZ-CG2 3.51Å; F66-I131 WeakPolarHBondContact CA-O 3.36Å; F66-Y132 AromaticContact CD2-CD1 3.86Å; F66-Y132 HydrophobicContact CD2-CD1 3.86Å; F66-Y132 AromaticContact CD2-CE1 3.56Å; F66-Y132 HydrophobicContact CD2-CE1 3.56Å; F66-Y132 HydrophobicContact CD2-CE2 4.25Å; F66-Y132 HydrophobicContact CD2-CG 4.32Å; F66-Y132 AromaticContact CD2-CZ 3.78Å; F66-Y132 HydrophobicContact CE2-CD1 4.32Å; F66-Y132 HydrophobicContact CE2-CD2 4.49Å; F66-Y132 AromaticContact CE2-CE1 3.66Å; F66-Y132 HydrophobicContact CE2-CE1 3.66Å; F66-Y132 AromaticContact CE2-CE2 3.84Å; F66-Y132 HydrophobicContact CE2-CE2 3.84Å; F66-Y132 AromaticContact CE2-CZ 3.38Å; F66-Y132 WeakPolarHBondContact CE2-OH 3.39Å
67F93.6Very high91.1Very high40 Ų4068.2 Ų68.218%0.17537%0.368CS..EExtended strand (participates in β ladder)trans-126.9143-179.6-57.1-91.1000109.5A65 F78 T86 S130 I131 V133A65-F67 HydrophobicContact CB-CD2 4.41Å; A65-F67 HydrophobicContact CB-CE2 3.43Å; A65-F67 VanDerWaalsContact CB-CE2 3.43Å; A65-F67 HydrophobicContact CB-CZ 3.84Å; F67-F78 HydrophobicContact CB-CE2 4.49Å; F67-F78 HydrophobicContact CD1-CD2 4.15Å; F67-F78 AromaticContact CD1-CE2 3.55Å; F67-F78 HydrophobicContact CD1-CE2 3.55Å; F67-F78 HydrophobicContact CD1-CZ 4.34Å; F67-F78 HydrophobicContact CD2-CD2 4.07Å; F67-F78 HydrophobicContact CD2-CE1 4.14Å; F67-F78 AromaticContact CD2-CE2 3.36Å; F67-F78 HydrophobicContact CD2-CE2 3.36Å; F67-F78 AromaticContact CD2-CZ 3.4Å; F67-F78 HydrophobicContact CD2-CZ 3.4Å; F67-F78 HydrophobicContact CE1-CD2 4.44Å; F67-F78 AromaticContact CE1-CE2 3.45Å; F67-F78 HydrophobicContact CE1-CE2 3.45Å; F67-F78 VanDerWaalsContact CE1-CE2 3.45Å; F67-F78 HydrophobicContact CE1-CZ 4.04Å; F67-F78 HydrophobicContact CE2-CD2 4.38Å; F67-F78 HydrophobicContact CE2-CE1 4Å; F67-F78 AromaticContact CE2-CE2 3.27Å; F67-F78 HydrophobicContact CE2-CE2 3.27Å; F67-F78 AromaticContact CE2-CZ 3.02Å; F67-F78 HydrophobicContact CE2-CZ 3.02Å; F67-F78 AromaticContact CG-CD2 3.97Å; F67-F78 HydrophobicContact CG-CD2 3.97Å; F67-F78 AromaticContact CG-CE2 3.5Å; F67-F78 HydrophobicContact CG-CE2 3.5Å; F67-F78 HydrophobicContact CG-CZ 4.06Å; F67-F78 AromaticContact CZ-CE2 3.32Å; F67-F78 HydrophobicContact CZ-CE2 3.32Å; F67-F78 AromaticContact CZ-CZ 3.39Å; F67-F78 HydrophobicContact CZ-CZ 3.39Å; F67-T86 HydrophobicContact CE1-CG2 4.27Å; F67-T86 WeakPolarHBondContact CE1-OG1 3.45Å; F67-T86 HydrophobicContact CZ-CG2 4.1Å; F67-S130 CarbonylContact O-C 3.53Å; F67-S130 VanDerWaalsContact O-CA 3.27Å; F67-S130 WeakPolarHBondContact O-CA 3.33Å; F67-I131 HydrophobicContact CB-CB 4.26Å; F67-I131 PolarHBondContact N-O 3.49Å; F67-I131 PolarHBondContact O-N 2.74Å; F67-V133 HydrophobicContact CD2-CG2 4.2Å; F67-V133 HydrophobicContact CE2-CG2 4Å
68T93Very high91.3Very high102 Ų10261.6 Ų61.663%0.62633%0.332SS*.EExtended strand (participates in β ladder)trans-122.9152.717459.50000110.9F66 H129F66-T68 HydrophobicContact CD1-CG2 4.2Å; F66-T68 HydrophobicContact CE1-CG2 3.29Å; F66-T68 HydrophobicContact CZ-CG2 3.51Å; T68-H129 CarbonylContact C-O 3.59Å; T68-H129 VanDerWaalsContact CA-O 3.26Å; T68-H129 WeakPolarHBondContact CA-O 3.2Å
69T91.3Very high91.7Very high55 Ų5561.3 Ų61.334%0.33733%0.33SS..  trans-146.5151.8177.1175.70000111.4A71 A73 H129T69-A71 WeakPolarHBondContact CG2-O 3.42Å; T69-A71 PolarHBondContact OG1-N 2.99Å; T69-A71 PolarHBondContact OG1-O 2.97Å; T69-A73 HydrophobicContact CG2-CB 3.7Å; T69-H129 PolarHBondContact N-O 2.91Å; T69-H129 PolarHBondContact O-ND1 3.38Å
70T91.3Very high92Very high143 Ų14353.7 Ų53.788%0.87729%0.29SS*.SBendtrans-83-14177.455.80000113.2H129T70-H129 PolarHBondContact O-CE1 3.36Å; T70-H129 VanDerWaalsContact O-CE1 3.29Å
71A90.8Very high92.1Very high58 Ų5853.3 Ų53.348%0.47929%0.288SS..SBendtrans-107.6157.4174.600000110.6T69 A73T69-A71 WeakPolarHBondContact CG2-O 3.42Å; T69-A71 PolarHBondContact OG1-N 2.99Å; T69-A71 PolarHBondContact OG1-O 2.97Å; A71-A73 PolarHBondContact O-N 2.8Å
72I90.5Very high92.1Very high98 Ų9855.8 Ų55.850%0.50330%0.299SS..  trans-62.3104.5175.3-62.8177.4000109.1Q74 R128I72-Q74 PolarHBondContact O-N 2.59Å; I72-Q74 PolarHBondContact O-NE2 3.19Å; I72-Q74 VanDerWaalsContact O-NE2 3.14Å; I72-R128 HydrophobicContact CG2-CB 3.9Å; I72-R128 HydrophobicContact CG2-CG 4.46Å
73A88.6Confident92.1Very high1 Ų154.7 Ų54.71%0.00830%0.295CS..  trans-62.5126-174.500000111.5T69 A71 R128 I131T69-A73 HydrophobicContact CG2-CB 3.7Å; A71-A73 PolarHBondContact O-N 2.8Å; A73-R128 VanDerWaalsContact CB-O 3.28Å; A73-R128 WeakPolarHBondContact CB-O 3.44Å; A73-R128 PolarHBondContact N-O 3.12Å; A73-R128 PolarHBondContact O-NE 3.49Å; A73-R128 VanDerWaalsContact O-NE 3.08Å; A73-R128 PolarHBondContact O-NH2 2.98Å; A73-I131 HydrophobicContact CB-CD1 4.03Å; A73-I131 HydrophobicContact CB-CG1 4.32Å
74Q87.1Confident92.1Very high77 Ų7754.7 Ų54.736%0.3629%0.294SS..  trans-91.9158.2167.9-54.7-53.7-44.900111.3I72 K76 D77 R128I72-Q74 PolarHBondContact O-N 2.59Å; I72-Q74 PolarHBondContact O-NE2 3.19Å; I72-Q74 VanDerWaalsContact O-NE2 3.14Å; Q74-K76 HydrophobicContact CB-CG 4.1Å; Q74-K76 PolarHBondContact O-N 3.12Å; Q74-K76 VanDerWaalsContact O-N 3.13Å; Q74-D77 WeakPolarHBondContact CA-OD2 3.48Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.43Å; Q74-D77 PolarHBondContact N-OD2 3.04Å; Q74-D77 WeakPolarHBondContact O-CB 3.42Å; Q74-D77 PolarHBondContact O-N 2.97Å; Q74-R128 VanDerWaalsContact CD-NH2 3.26Å
75K81.3Confident92.2Very high89 Ų8958.6 Ų58.639%0.38731%0.311SS..G310 helixtrans-51.5-37.7177.6-75.5-161.7164.6-152.30113.8D6 D77 F78 R122 W124D6-K75 IonicContact OD2-NZ 3.41Å; D6-K75 PolarHBondContact OD2-NZ 2.98Å; K75-D77 VanDerWaalsContact C-N 3.29Å; K75-D77 PolarHBondContact O-N 3.02Å; K75-F78 VanDerWaalsContact O-O 3.08Å; K75-R122 PolarHBondContact O-NH1 3.08Å; K75-W124 HydrophobicContact CB-CH2 4.33Å; K75-W124 HydrophobicContact CB-CZ2 4.43Å; K75-W124 HydrophobicContact CD-CH2 4.46Å; K75-W124 HydrophobicContact CG-CH2 3.66Å; K75-W124 HydrophobicContact CG-CZ2 4.08Å; K75-W124 HydrophobicContact CG-CZ3 4.29Å
76K85.2Confident92.3Very high171 Ų17161 Ų6174%0.74333%0.326SS*.G310 helixtrans-75.1-15-179.667.7176.4-173.71720114.2Q74 F78Q74-K76 HydrophobicContact CB-CG 4.1Å; Q74-K76 PolarHBondContact O-N 3.12Å; Q74-K76 VanDerWaalsContact O-N 3.13Å; K76-F78 PolarHBondContact O-N 3.03Å
77D84.5Confident92.5Very high93 Ų9357.2 Ų57.250%0.49731%0.309SS..G310 helixtrans-81-11.8-174.2-59.4-20.4000111.6Q74 K75Q74-D77 WeakPolarHBondContact CA-OD2 3.48Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.43Å; Q74-D77 PolarHBondContact N-OD2 3.04Å; Q74-D77 WeakPolarHBondContact O-CB 3.42Å; Q74-D77 PolarHBondContact O-N 2.97Å; K75-D77 VanDerWaalsContact C-N 3.29Å; K75-D77 PolarHBondContact O-N 3.02Å
78F90Very high92.7Very high11 Ų1156.6 Ų56.65%0.04831%0.305CS..SBendtrans-142.4117.8179.5-178.9-95.7000109.4F9 F67 K75 K76 D82 A83 R122 I131 V133F9-F78 HydrophobicContact CE2-CD1 4.25Å; F9-F78 AromaticContact CE2-CE1 3.96Å; F9-F78 HydrophobicContact CE2-CE1 3.96Å; F9-F78 HydrophobicContact CZ-CE1 4.33Å; F67-F78 HydrophobicContact CB-CE2 4.49Å; F67-F78 HydrophobicContact CD1-CD2 4.15Å; F67-F78 AromaticContact CD1-CE2 3.55Å; F67-F78 HydrophobicContact CD1-CE2 3.55Å; F67-F78 HydrophobicContact CD1-CZ 4.34Å; F67-F78 HydrophobicContact CD2-CD2 4.07Å; F67-F78 HydrophobicContact CD2-CE1 4.14Å; F67-F78 AromaticContact CD2-CE2 3.36Å; F67-F78 HydrophobicContact CD2-CE2 3.36Å; F67-F78 AromaticContact CD2-CZ 3.4Å; F67-F78 HydrophobicContact CD2-CZ 3.4Å; F67-F78 HydrophobicContact CE1-CD2 4.44Å; F67-F78 AromaticContact CE1-CE2 3.45Å; F67-F78 HydrophobicContact CE1-CE2 3.45Å; F67-F78 VanDerWaalsContact CE1-CE2 3.45Å; F67-F78 HydrophobicContact CE1-CZ 4.04Å; F67-F78 HydrophobicContact CE2-CD2 4.38Å; F67-F78 HydrophobicContact CE2-CE1 4Å; F67-F78 AromaticContact CE2-CE2 3.27Å; F67-F78 HydrophobicContact CE2-CE2 3.27Å; F67-F78 AromaticContact CE2-CZ 3.02Å; F67-F78 HydrophobicContact CE2-CZ 3.02Å; F67-F78 AromaticContact CG-CD2 3.97Å; F67-F78 HydrophobicContact CG-CD2 3.97Å; F67-F78 AromaticContact CG-CE2 3.5Å; F67-F78 HydrophobicContact CG-CE2 3.5Å; F67-F78 HydrophobicContact CG-CZ 4.06Å; F67-F78 AromaticContact CZ-CE2 3.32Å; F67-F78 HydrophobicContact CZ-CE2 3.32Å; F67-F78 AromaticContact CZ-CZ 3.39Å; F67-F78 HydrophobicContact CZ-CZ 3.39Å; K75-F78 VanDerWaalsContact O-O 3.08Å; K76-F78 PolarHBondContact O-N 3.03Å; F78-D82 HydrophobicContact CD2-CB 3.92Å; F78-D82 HydrophobicContact CE2-CB 3.51Å; F78-D82 HydrophobicContact CZ-CB 4.04Å; F78-A83 HydrophobicContact CE1-CB 4.05Å; F78-A83 HydrophobicContact CZ-CB 3.7Å; F78-R122 PolarHBondContact O-NH1 3.12Å; F78-I131 HydrophobicContact CB-CD1 3.49Å; F78-I131 VanDerWaalsContact CB-CD1 3.49Å; F78-I131 HydrophobicContact CD1-CD1 4.38Å; F78-I131 HydrophobicContact CD1-CG2 4.14Å; F78-I131 HydrophobicContact CD2-CD1 4.45Å; F78-I131 HydrophobicContact CG-CD1 3.84Å; F78-V133 HydrophobicContact CD1-CG2 4.37Å; F78-V133 HydrophobicContact CE1-CG2 3.46Å; F78-V133 VanDerWaalsContact CE1-CG2 3.46Å; F78-V133 HydrophobicContact CZ-CG2 3.94Å
79T94.8Very high92.9Very high34 Ų3457.1 Ų57.121%0.20930%0.301CS..  trans-101.9164.4-175.366.50000111.9E12 A81 D82 A83E12-T79 WeakPolarHBondContact OE2-CA 3.21Å; E12-T79 WeakPolarHBondContact OE2-CB 3.27Å; T79-A81 PolarHBondContact O-N 3.09Å; T79-A81 PolarHBondContact OG1-N 2.73Å; T79-D82 WeakPolarHBondContact CB-OD2 3.26Å; T79-D82 PolarHBondContact N-OD2 2.69Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.79Å; T79-D82 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact OG1-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 2.78Å; T79-A83 PolarHBondContact O-N 2.87Å
80G96.6Very high93.3Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-61.5-28.3170.800000113.2F9 E12 C13 T84F9-G80 VanDerWaalsContact CD2-N 3.33Å; F9-G80 VanDerWaalsContact CE2-N 3.34Å; E12-G80 PolarHBondContact OE2-N 3.33Å; C13-G80 WeakPolarHBondContact SG-CA 3.26Å; C13-G80 PolarHBondContact SG-O 3.28Å; G80-T84 PolarHBondContact O-N 2.79Å; G80-T84 VanDerWaalsContact O-N 3.13Å; G80-T84 PolarHBondContact O-OG1 3.28Å
81A97Very high93.6Very high19 Ų1951 Ų5116%0.15726%0.259CS..Hα-helixtrans-68-34.417400000112.3E16 T79 T84 K85E16-A81 HydrophobicContact CB-CB 3.95Å; E16-A81 HydrophobicContact CG-CB 4.04Å; T79-A81 PolarHBondContact O-N 3.09Å; T79-A81 PolarHBondContact OG1-N 2.73Å; A81-T84 PolarHBondContact O-N 3.28Å; A81-K85 WeakPolarHBondContact O-CB 3.43Å; A81-K85 VanDerWaalsContact O-CG 3.26Å; A81-K85 WeakPolarHBondContact O-CG 3.32Å; A81-K85 PolarHBondContact O-N 2.83Å
82D96.8Very high93.9Very high59 Ų5955.9 Ų55.932%0.31627%0.272SS..Hα-helixtrans-65.7-47.4177.4-61-46.8000110.8F78 T79 T84 K85 T86F78-D82 HydrophobicContact CD2-CB 3.92Å; F78-D82 HydrophobicContact CE2-CB 3.51Å; F78-D82 HydrophobicContact CZ-CB 4.04Å; T79-D82 WeakPolarHBondContact CB-OD2 3.26Å; T79-D82 PolarHBondContact N-OD2 2.69Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.79Å; T79-D82 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact OG1-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 2.78Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.83Å; D82-K85 PolarHBondContact O-N 3.13Å; D82-T86 PolarHBondContact O-N 3.45Å; D82-T86 PolarHBondContact O-OG1 3.37Å
83A97.3Very high94.2Very high0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-55.1-49.3174.400000111.9F78 T79 K85 T86 W87 V133F78-A83 HydrophobicContact CE1-CB 4.05Å; F78-A83 HydrophobicContact CZ-CB 3.7Å; T79-A83 PolarHBondContact O-N 2.87Å; A83-K85 PolarHBondContact O-N 2.97Å; A83-T86 PolarHBondContact O-N 3.13Å; A83-W87 HydrophobicContact CB-CH2 4.3Å; A83-W87 HydrophobicContact CB-CZ3 4.38Å; A83-W87 PolarHBondContact O-N 3.37Å; A83-W87 VanDerWaalsContact O-N 3.08Å; A83-V133 HydrophobicContact CB-CG1 3.85Å
84T98.3Very high94.6Very high0 Ų058.3 Ų58.30%029%0.285CS..Hα-helixtrans-62.4-43.7-177.6-55.50000111.7E16 H17 L20 G80 A81 D82 W87 Y88 V110E16-T84 HydrophobicContact CB-CG2 4.08Å; E16-T84 HydrophobicContact CG-CG2 3.77Å; H17-T84 HydrophobicContact CB-CG2 4.48Å; H17-T84 VanDerWaalsContact CE1-CG2 3.49Å; H17-T84 WeakPolarHBondContact CE1-CG2 3.34Å; H17-T84 PolarHBondContact CE1-OG1 3.48Å; H17-T84 VanDerWaalsContact ND1-CG2 3.27Å; H17-T84 WeakPolarHBondContact ND1-CG2 3.28Å; H17-T84 PolarHBondContact ND1-OG1 3.35Å; L20-T84 HydrophobicContact CD1-CG2 3.69Å; G80-T84 PolarHBondContact O-N 2.79Å; G80-T84 VanDerWaalsContact O-N 3.13Å; G80-T84 PolarHBondContact O-OG1 3.28Å; A81-T84 PolarHBondContact O-N 3.28Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.83Å; T84-W87 PolarHBondContact O-N 3.38Å; T84-Y88 WeakPolarHBondContact O-CB 3.32Å; T84-Y88 PolarHBondContact O-N 3.31Å; T84-V110 HydrophobicContact CG2-CG1 4.48Å
85K97.9Very high95.1Very high91 Ų9157.8 Ų57.840%0.39629%0.285SS..Hα-helixtrans-65.1-39.9177.8-74.2170.7-173.5169.50111.8E16 A81 D82 A83 Y88 Q89E16-K85 HydrophobicContact CG-CG 4.25Å; E16-K85 WeakPolarHBondContact OE1-CE 3.29Å; E16-K85 WeakPolarHBondContact OE1-CG 3.42Å; A81-K85 WeakPolarHBondContact O-CB 3.43Å; A81-K85 VanDerWaalsContact O-CG 3.26Å; A81-K85 WeakPolarHBondContact O-CG 3.32Å; A81-K85 PolarHBondContact O-N 2.83Å; D82-K85 PolarHBondContact O-N 3.13Å; A83-K85 PolarHBondContact O-N 2.97Å; K85-Y88 PolarHBondContact O-N 3.33Å; K85-Q89 VanDerWaalsContact O-CG 3.31Å; K85-Q89 WeakPolarHBondContact O-CG 3.42Å; K85-Q89 PolarHBondContact O-N 3.02Å
86T97.5Very high95.8Very high57 Ų5756.3 Ų56.335%0.3528%0.278SS..Hα-helixtrans-59.4-45.5175.4-65.90000111.5F67 D82 A83 Q89F67-T86 HydrophobicContact CE1-CG2 4.27Å; F67-T86 WeakPolarHBondContact CE1-OG1 3.45Å; F67-T86 HydrophobicContact CZ-CG2 4.1Å; D82-T86 PolarHBondContact O-N 3.45Å; D82-T86 PolarHBondContact O-OG1 3.37Å; A83-T86 PolarHBondContact O-N 3.13Å; T86-Q89 PolarHBondContact O-N 3.3Å
87W98.3Very high96.3Very high3 Ų356.8 Ų56.81%0.01128%0.28CS..Hα-helixtrans-63.4-41.3174.2-66.3-34.8000112.8H17 N63 L64 A65 A83 T84 Q89 H106 F107 V110 F120 V133H17-W87 AromaticContact CE1-CZ3 3.94Å; N63-W87 HydrophobicContact CB-CD2 3.73Å; N63-W87 VanDerWaalsContact CB-CE2 3.47Å; N63-W87 HydrophobicContact CB-CE3 4.14Å; N63-W87 HydrophobicContact CB-CG 4.2Å; N63-W87 HydrophobicContact CB-CH2 4.12Å; N63-W87 HydrophobicContact CB-CZ2 3.69Å; N63-W87 HydrophobicContact CB-CZ3 4.32Å; L64-W87 VanDerWaalsContact C-NE1 3.34Å; L64-W87 PolarHBondContact O-NE1 2.95Å; A65-W87 HydrophobicContact CB-CZ2 4.07Å; A83-W87 HydrophobicContact CB-CH2 4.3Å; A83-W87 HydrophobicContact CB-CZ3 4.38Å; A83-W87 PolarHBondContact O-N 3.37Å; A83-W87 VanDerWaalsContact O-N 3.08Å; T84-W87 PolarHBondContact O-N 3.38Å; W87-Q89 VanDerWaalsContact C-N 3.31Å; W87-Q89 PolarHBondContact O-N 3.21Å; W87-H106 HydrophobicContact CB-CB 3.75Å; W87-H106 AromaticContact CD1-CD2 3.82Å; W87-H106 AromaticContact CD1-CG 3.73Å; W87-H106 HydrophobicContact CG-CB 3.91Å; W87-F107 WeakPolarHBondContact O-CA 3.15Å; W87-F107 PolarHBondContact O-N 3.19Å; W87-V110 HydrophobicContact CB-CG2 3.81Å; W87-V110 HydrophobicContact CE3-CG2 4.38Å; W87-F120 HydrophobicContact CH2-CD1 4.22Å; W87-F120 HydrophobicContact CH2-CE1 4.46Å; W87-F120 HydrophobicContact CZ3-CD1 4.08Å; W87-F120 AromaticContact CZ3-CE1 3.92Å; W87-F120 HydrophobicContact CZ3-CE1 3.92Å; W87-V133 HydrophobicContact CH2-CG1 3.85Å; W87-V133 HydrophobicContact CZ2-CG1 3.97Å
88Y98.6Very high96.7Very high28 Ų2859.5 Ų59.511%0.1128%0.284CS..Hα-helixtrans-69.9-25.2-177.7-174.9-90.6000113.6L20 H24 T84 K85 E90 I91 F107 V110 V111L20-Y88 HydrophobicContact CB-CD2 3.92Å; L20-Y88 HydrophobicContact CB-CE2 3.84Å; L20-Y88 HydrophobicContact CD1-CD1 4.37Å; L20-Y88 HydrophobicContact CD1-CD2 3.85Å; L20-Y88 HydrophobicContact CD1-CE2 4.48Å; L20-Y88 HydrophobicContact CD1-CG 3.76Å; L20-Y88 HydrophobicContact CD2-CD1 3.84Å; L20-Y88 HydrophobicContact CD2-CD2 4.02Å; L20-Y88 HydrophobicContact CD2-CE1 3.75Å; L20-Y88 HydrophobicContact CD2-CE2 3.91Å; L20-Y88 HydrophobicContact CD2-CG 3.96Å; L20-Y88 HydrophobicContact CG-CD2 4.15Å; L20-Y88 HydrophobicContact CG-CE2 4.29Å; L20-Y88 HydrophobicContact CG-CG 4.32Å; H24-Y88 AromaticContact CD2-CE2 3.96Å; H24-Y88 AromaticContact NE2-CE2 3.47Å; H24-Y88 WeakPolarHBondContact NE2-CE2 3.24Å; H24-Y88 AromaticContact NE2-CZ 3.53Å; H24-Y88 PolarHBondContact NE2-OH 3.11Å; T84-Y88 WeakPolarHBondContact O-CB 3.32Å; T84-Y88 PolarHBondContact O-N 3.31Å; K85-Y88 PolarHBondContact O-N 3.33Å; Y88-E90 PolarHBondContact O-N 3.47Å; Y88-E90 VanDerWaalsContact O-N 3.11Å; Y88-I91 HydrophobicContact CD1-CG2 4.1Å; Y88-I91 HydrophobicContact CE1-CB 4.43Å; Y88-I91 HydrophobicContact CE1-CD1 4.02Å; Y88-I91 HydrophobicContact CE1-CG2 3.87Å; Y88-I91 HydrophobicContact CE2-CD1 4.43Å; Y88-I91 VanDerWaalsContact O-CB 3.32Å; Y88-I91 WeakPolarHBondContact O-CB 3.33Å; Y88-I91 WeakPolarHBondContact O-CG2 2.94Å; Y88-I91 PolarHBondContact O-N 3.39Å; Y88-I91 WeakPolarHBondContact OH-CD1 3.23Å; Y88-F107 AromaticContact CD2-CD2 3.77Å; Y88-F107 HydrophobicContact CD2-CD2 3.77Å; Y88-F107 AromaticContact CD2-CE2 3.96Å; Y88-F107 HydrophobicContact CD2-CE2 3.96Å; Y88-F107 HydrophobicContact CE2-CD2 4.01Å; Y88-F107 AromaticContact CE2-CE2 3.7Å; Y88-F107 HydrophobicContact CE2-CE2 3.7Å; Y88-F107 HydrophobicContact CG-CD2 4.3Å; Y88-V110 HydrophobicContact CD2-CG1 4.22Å; Y88-V111 HydrophobicContact CD2-CG1 4.19Å; Y88-V111 HydrophobicContact CE2-CG1 3.9Å
89Q98Very high97Very high112 Ų11261.8 Ų61.852%0.52329%0.294SS..G310 helixtrans-58.3-24.1-178.3-86170.5-1600114K85 T86 W87 I91 E92K85-Q89 VanDerWaalsContact O-CG 3.31Å; K85-Q89 WeakPolarHBondContact O-CG 3.42Å; K85-Q89 PolarHBondContact O-N 3.02Å; T86-Q89 PolarHBondContact O-N 3.3Å; W87-Q89 VanDerWaalsContact C-N 3.31Å; W87-Q89 PolarHBondContact O-N 3.21Å; Q89-I91 PolarHBondContact O-N 3.07Å; Q89-E92 WeakPolarHBondContact O-CG 3.38Å; Q89-E92 PolarHBondContact O-N 3.17Å
90E98.1Very high97Very high40 Ų4062.6 Ų62.619%0.18730%0.297CS..G310 helixtrans-60.1-12.5174.2-60.9176.4163.700113.3Y88 E92 D93 Y94 C104 G105 H106 F107Y88-E90 PolarHBondContact O-N 3.47Å; Y88-E90 VanDerWaalsContact O-N 3.11Å; E90-E92 PolarHBondContact O-N 2.99Å; E90-D93 PolarHBondContact O-N 3.23Å; E90-D93 VanDerWaalsContact O-N 3.12Å; E90-Y94 PolarHBondContact O-N 3.34Å; E90-C104 HydrophobicContact CB-CB 4.11Å; E90-C104 WeakPolarHBondContact OE2-CA 3.17Å; E90-G105 PolarHBondContact OE2-N 3.01Å; E90-H106 IonicContact OE1-CE1 3.04Å; E90-H106 IonicContact OE1-CG 2.69Å; E90-H106 IonicContact OE1-ND1 2.73Å; E90-H106 PolarHBondContact OE1-ND1 2.92Å; E90-H106 WeakPolarHBondContact OE2-CA 3.33Å; E90-H106 VanDerWaalsContact OE2-CB 3.26Å; E90-H106 WeakPolarHBondContact OE2-CB 3.38Å; E90-H106 IonicContact OE2-CG 3.33Å; E90-H106 PolarHBondContact OE2-N 2.87Å; E90-H106 IonicContact OE2-ND1 3.8Å; E90-F107 HydrophobicContact CB-CB 3.7Å; E90-F107 PolarHBondContact OE2-N 2.95Å
91I97.7Very high96.9Very high29 Ų2963.4 Ų63.415%0.14930%0.301CS..G310 helixtrans-53.3-30168.6-166.4173.4000112.8Y88 Q89 D93 Y94 F96 F107 L154Y88-I91 HydrophobicContact CD1-CG2 4.1Å; Y88-I91 HydrophobicContact CE1-CB 4.43Å; Y88-I91 HydrophobicContact CE1-CD1 4.02Å; Y88-I91 HydrophobicContact CE1-CG2 3.87Å; Y88-I91 HydrophobicContact CE2-CD1 4.43Å; Y88-I91 VanDerWaalsContact O-CB 3.32Å; Y88-I91 WeakPolarHBondContact O-CB 3.33Å; Y88-I91 WeakPolarHBondContact O-CG2 2.94Å; Y88-I91 PolarHBondContact O-N 3.39Å; Y88-I91 WeakPolarHBondContact OH-CD1 3.23Å; Q89-I91 PolarHBondContact O-N 3.07Å; I91-D93 PolarHBondContact O-N 2.97Å; I91-Y94 PolarHBondContact O-N 3.41Å; I91-F96 HydrophobicContact CD1-CZ 4.1Å; I91-F96 HydrophobicContact CG1-CE2 4.32Å; I91-F96 HydrophobicContact CG1-CZ 3.95Å; I91-F107 HydrophobicContact CB-CD2 3.76Å; I91-F107 HydrophobicContact CB-CE1 4.49Å; I91-F107 HydrophobicContact CB-CE2 3.74Å; I91-F107 HydrophobicContact CB-CG 4.17Å; I91-F107 HydrophobicContact CB-CZ 4.12Å; I91-F107 HydrophobicContact CD1-CE2 3.75Å; I91-F107 HydrophobicContact CD1-CZ 3.97Å; I91-F107 HydrophobicContact CG1-CD2 4.31Å; I91-F107 HydrophobicContact CG1-CE1 4.33Å; I91-F107 HydrophobicContact CG1-CE2 3.76Å; I91-F107 HydrophobicContact CG1-CZ 3.77Å; I91-L154 HydrophobicContact CD1-CD1 4.49Å; I91-L154 HydrophobicContact CD1-CG 4.44Å
92E97.2Very high96.8Very high162 Ų16267.6 Ų67.676%0.75732%0.316SS*.G310 helixtrans-63-28.7-179.7-67.3-177.9-175.200112.4Q89 E90Q89-E92 WeakPolarHBondContact O-CG 3.38Å; Q89-E92 PolarHBondContact O-N 3.17Å; E90-E92 PolarHBondContact O-N 2.99Å
93D97.4Very high96.7Very high136 Ų13670.3 Ų70.373%0.72734%0.337SS*.G310 helixtrans-100.1-5.8178.9-66-54.2000113.1E90 I91E90-D93 PolarHBondContact O-N 3.23Å; E90-D93 VanDerWaalsContact O-N 3.12Å; I91-D93 PolarHBondContact O-N 2.97Å
94Y97.5Very high96.7Very high14 Ų1470.7 Ų70.76%0.05534%0.339CS..  trans-83.3124.9-172.3-167.1-98.4000113.3E90 I91 F96 Q101 C104 F107 T108 F147 V151E90-Y94 PolarHBondContact O-N 3.34Å; I91-Y94 PolarHBondContact O-N 3.41Å; Y94-F96 AromaticContact CD1-CD1 3.75Å; Y94-F96 HydrophobicContact CD1-CD1 3.75Å; Y94-F96 HydrophobicContact CD1-CD2 4.15Å; Y94-F96 AromaticContact CD1-CE1 3.75Å; Y94-F96 HydrophobicContact CD1-CE1 3.75Å; Y94-F96 HydrophobicContact CD1-CE2 4.15Å; Y94-F96 AromaticContact CD1-CG 3.95Å; Y94-F96 HydrophobicContact CD1-CG 3.95Å; Y94-F96 AromaticContact CD1-CZ 3.96Å; Y94-F96 HydrophobicContact CD1-CZ 3.96Å; Y94-F96 AromaticContact CE1-CD1 3.69Å; Y94-F96 HydrophobicContact CE1-CD1 3.69Å; Y94-F96 AromaticContact CE1-CE1 3.96Å; Y94-F96 HydrophobicContact CE1-CE1 3.96Å; Y94-F96 HydrophobicContact CE1-CG 4.13Å; Y94-Q101 HydrophobicContact CD2-CB 4.05Å; Y94-Q101 HydrophobicContact CE2-CB 3.73Å; Y94-Q101 HydrophobicContact CE2-CG 4.34Å; Y94-C104 HydrophobicContact CD2-CB 3.61Å; Y94-C104 HydrophobicContact CE2-CB 4.35Å; Y94-F107 HydrophobicContact CD1-CD1 4.41Å; Y94-F107 AromaticContact CD1-CE1 3.71Å; Y94-F107 HydrophobicContact CD1-CE1 3.71Å; Y94-F107 AromaticContact CD2-CD1 4Å; Y94-F107 HydrophobicContact CD2-CD1 4Å; Y94-F107 HydrophobicContact CD2-CE1 4.09Å; Y94-F107 HydrophobicContact CE1-CE1 4.15Å; Y94-F107 HydrophobicContact CE2-CE1 4.48Å; Y94-F107 AromaticContact CG-CD1 3.92Å; Y94-F107 HydrophobicContact CG-CD1 3.92Å; Y94-F107 AromaticContact CG-CE1 3.67Å; Y94-F107 HydrophobicContact CG-CE1 3.67Å; Y94-T108 HydrophobicContact CD2-CG2 3.94Å; Y94-T108 HydrophobicContact CE2-CG2 3.27Å; Y94-F147 HydrophobicContact CE2-CD1 4.35Å; Y94-V151 HydrophobicContact CD1-CG1 4.37Å; Y94-V151 HydrophobicContact CE1-CB 4.32Å; Y94-V151 HydrophobicContact CE1-CG1 3.58Å; Y94-V151 HydrophobicContact CE2-CG1 4.49Å
95D97Very high96.6Very high66 Ų6671.2 Ų71.235%0.35335%0.345SS..  trans-95.6103.7172.8-177.3-5.1000111.3K97 R98 Q101D95-K97 PolarHBondContact O-N 3.3Å; D95-K97 WeakPolarHBondContact OD1-CB 3.49Å; D95-K97 PolarHBondContact OD1-N 3.39Å; D95-R98 HydrophobicContact CB-CB 4.39Å; D95-R98 HydrophobicContact CB-CG 4.22Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 WeakPolarHBondContact OD2-CD 3.35Å; D95-R98 WeakPolarHBondContact OD2-CG 3.26Å; D95-Q101 PolarHBondContact O-NE2 3Å
96F96Very high96.6Very high58 Ų5869.1 Ų69.125%0.25434%0.336SS..THydrogen-bonded Turntrans-60.6-0.1-179.9-66-83.6000115.8I91 Y94 F107 L148 V151 P152 P153I91-F96 HydrophobicContact CD1-CZ 4.1Å; I91-F96 HydrophobicContact CG1-CE2 4.32Å; I91-F96 HydrophobicContact CG1-CZ 3.95Å; Y94-F96 AromaticContact CD1-CD1 3.75Å; Y94-F96 HydrophobicContact CD1-CD1 3.75Å; Y94-F96 HydrophobicContact CD1-CD2 4.15Å; Y94-F96 AromaticContact CD1-CE1 3.75Å; Y94-F96 HydrophobicContact CD1-CE1 3.75Å; Y94-F96 HydrophobicContact CD1-CE2 4.15Å; Y94-F96 AromaticContact CD1-CG 3.95Å; Y94-F96 HydrophobicContact CD1-CG 3.95Å; Y94-F96 AromaticContact CD1-CZ 3.96Å; Y94-F96 HydrophobicContact CD1-CZ 3.96Å; Y94-F96 AromaticContact CE1-CD1 3.69Å; Y94-F96 HydrophobicContact CE1-CD1 3.69Å; Y94-F96 AromaticContact CE1-CE1 3.96Å; Y94-F96 HydrophobicContact CE1-CE1 3.96Å; Y94-F96 HydrophobicContact CE1-CG 4.13Å; F96-F107 HydrophobicContact CE1-CE1 4.29Å; F96-F107 HydrophobicContact CE1-CZ 4.03Å; F96-F107 HydrophobicContact CZ-CE1 4.33Å; F96-F107 AromaticContact CZ-CZ 3.96Å; F96-F107 HydrophobicContact CZ-CZ 3.96Å; F96-L148 VanDerWaalsContact O-CD2 3.26Å; F96-L148 WeakPolarHBondContact O-CD2 3.29Å; F96-V151 HydrophobicContact CE1-CG1 4.26Å; F96-P152 WeakPolarHBondContact CE1-O 3.17Å; F96-P153 HydrophobicContact CB-CB 4.32Å; F96-P153 VanDerWaalsContact CD1-CA 3.5Å; F96-P153 HydrophobicContact CD1-CB 3.91Å; F96-P153 HydrophobicContact CD2-CB 4.48Å; F96-P153 HydrophobicContact CE1-CB 4.36Å; F96-P153 HydrophobicContact CG-CB 3.98Å
97K95Very high96.7Very high181 Ų18166.4 Ų66.479%0.78732%0.319SS*.THydrogen-bonded Turntrans-104.21.1176-58.8177-176.7173.70113.4D95D95-K97 PolarHBondContact O-N 3.3Å; D95-K97 WeakPolarHBondContact OD1-CB 3.49Å; D95-K97 PolarHBondContact OD1-N 3.39Å
98R94.3Very high96.7Very high150 Ų15066.2 Ų66.257%0.56632%0.319SS*.  trans-121.2140.1-174.8-66.9178.863-164.9-4.6111.9D95 Q101D95-R98 HydrophobicContact CB-CB 4.39Å; D95-R98 HydrophobicContact CB-CG 4.22Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 WeakPolarHBondContact OD2-CD 3.35Å; D95-R98 WeakPolarHBondContact OD2-CG 3.26Å; R98-Q101 HydrophobicContact CB-CG 4.35Å; R98-Q101 PolarHBondContact O-NE2 2.93Å
99E95.5Very high96.7Very high59 Ų5965 Ų6528%0.27631%0.314SS..SBendtrans-79.4163.7172-71.9-68.3169.300112.2Q101 F147 L148E99-Q101 PolarHBondContact O-N 2.89Å; E99-F147 WeakPolarHBondContact OE2-CA 3.4Å; E99-F147 VanDerWaalsContact OE2-CB 3.24Å; E99-F147 WeakPolarHBondContact OE2-CB 3.47Å; E99-F147 PolarHBondContact OE2-N 3.29Å; E99-L148 HydrophobicContact CG-CD1 4.02Å; E99-L148 HydrophobicContact CG-CG 4.1Å; E99-L148 WeakPolarHBondContact OE1-CB 3.48Å; E99-L148 VanDerWaalsContact OE1-CD1 3.23Å; E99-L148 WeakPolarHBondContact OE1-CD1 3.06Å; E99-L148 WeakPolarHBondContact OE1-CG 3.28Å; E99-L148 PolarHBondContact OE1-N 2.86Å; E99-L148 PolarHBondContact OE2-N 3.49Å
100N94.8Very high96.7Very high50 Ų5059.7 Ų59.727%0.26729%0.289SS..  trans57.439.6162.5-57.9-34000115.4F102 S144 D145N100-F102 HydrophobicContact CB-CD2 4.38Å; N100-F102 HydrophobicContact CB-CE2 3.77Å; N100-F102 HydrophobicContact CB-CZ 4.21Å; N100-F102 VanDerWaalsContact O-CD2 3.31Å; N100-F102 WeakPolarHBondContact O-CD2 3.35Å; N100-F102 PolarHBondContact O-N 2.88Å; N100-S144 VanDerWaalsContact OD1-CA 3.23Å; N100-S144 WeakPolarHBondContact OD1-CA 3.43Å; N100-D145 PolarHBondContact ND2-OD1 2.95Å; N100-D145 PolarHBondContact OD1-N 3.3Å
101Q95.5Very high96.7Very high17 Ų1757.8 Ų57.88%0.07928%0.28CS..  trans-84.462.7178.6-69.9176.291.300111.5Y94 D95 R98 E99 P103 C104Y94-Q101 HydrophobicContact CD2-CB 4.05Å; Y94-Q101 HydrophobicContact CE2-CB 3.73Å; Y94-Q101 HydrophobicContact CE2-CG 4.34Å; D95-Q101 PolarHBondContact O-NE2 3Å; R98-Q101 HydrophobicContact CB-CG 4.35Å; R98-Q101 PolarHBondContact O-NE2 2.93Å; E99-Q101 PolarHBondContact O-N 2.89Å; Q101-P103 VanDerWaalsContact C-N 3.27Å; Q101-P103 VanDerWaalsContact O-N 3.16Å; Q101-C104 PolarHBondContact O-N 3.39Å
102F93.6Very high96.8Very high108 Ų10856.5 Ų56.547%0.47427%0.274SS..G310 helixtrans-53.2-30179.9-59.7-69.3000115.7N100 C104 G105 F147N100-F102 HydrophobicContact CB-CD2 4.38Å; N100-F102 HydrophobicContact CB-CE2 3.77Å; N100-F102 HydrophobicContact CB-CZ 4.21Å; N100-F102 VanDerWaalsContact O-CD2 3.31Å; N100-F102 WeakPolarHBondContact O-CD2 3.35Å; N100-F102 PolarHBondContact O-N 2.88Å; F102-C104 PolarHBondContact O-N 3.39Å; F102-G105 WeakPolarHBondContact O-CA 3.32Å; F102-G105 PolarHBondContact O-N 2.81Å; F102-F147 HydrophobicContact CD1-CZ 4.02Å; F102-F147 HydrophobicContact CE1-CE2 4.12Å; F102-F147 AromaticContact CE1-CZ 3.93Å; F102-F147 HydrophobicContact CE1-CZ 3.93Å; F102-F147 HydrophobicContact CZ-CE2 4.49Å
103P95.3Very high96.8Very high115 Ų11553.6 Ų53.675%0.74726%0.258SS*.G310 helixtrans-62.2-20.4172-26.537000115Q101 G105Q101-P103 VanDerWaalsContact C-N 3.27Å; Q101-P103 VanDerWaalsContact O-N 3.16Å; P103-G105 VanDerWaalsContact C-N 3.34Å
104C96.8Very high96.9Very high8 Ų849.9 Ų49.95%0.05424%0.243CC..G310 helixtrans-101.425.2173.1-56.70000111.6E90 Y94 Q101 F102 H106 F107 T108E90-C104 HydrophobicContact CB-CB 4.11Å; E90-C104 WeakPolarHBondContact OE2-CA 3.17Å; Y94-C104 HydrophobicContact CD2-CB 3.61Å; Y94-C104 HydrophobicContact CE2-CB 4.35Å; Q101-C104 PolarHBondContact O-N 3.39Å; F102-C104 PolarHBondContact O-N 3.39Å; C104-H106 PolarHBondContact O-N 2.84Å; C104-F107 PolarHBondContact O-N 2.65Å; C104-T108 WeakPolarHBondContact O-CG2 3.37Å; C104-T108 PolarHBondContact O-N 3.39Å; C104-T108 PolarHBondContact O-OG1 2.65Å
105G96.8Very high96.9Very high11 Ų1149.3 Ų49.311%0.11324%0.241CC..Hα-helixtrans-60-28.9-171.500000113.9E90 F102 P103 T108 Q109 N142E90-G105 PolarHBondContact OE2-N 3.01Å; F102-G105 WeakPolarHBondContact O-CA 3.32Å; F102-G105 PolarHBondContact O-N 2.81Å; P103-G105 VanDerWaalsContact C-N 3.34Å; G105-T108 VanDerWaalsContact CA-OG1 3.29Å; G105-T108 WeakPolarHBondContact CA-OG1 3.41Å; G105-T108 PolarHBondContact O-OG1 3.01Å; G105-T108 VanDerWaalsContact O-OG1 3.12Å; G105-Q109 WeakPolarHBondContact O-CB 3.28Å; G105-Q109 PolarHBondContact O-N 3.01Å; G105-Q109 VanDerWaalsContact O-N 3.12Å; G105-N142 PolarHBondContact O-ND2 3.22Å
106H98Very high97Very high47 Ų4750.8 Ų50.822%0.21825%0.248CC..Hα-helixtrans-72.7-46.8178.3-55.4113.3000110.7N63 W87 E90 C104 Q109 V110N63-H106 PolarHBondContact ND2-O 3.4Å; N63-H106 WeakPolarHBondContact OD1-CA 3.43Å; W87-H106 HydrophobicContact CB-CB 3.75Å; W87-H106 AromaticContact CD1-CD2 3.82Å; W87-H106 AromaticContact CD1-CG 3.73Å; W87-H106 HydrophobicContact CG-CB 3.91Å; E90-H106 IonicContact OE1-CE1 3.04Å; E90-H106 IonicContact OE1-CG 2.69Å; E90-H106 IonicContact OE1-ND1 2.73Å; E90-H106 PolarHBondContact OE1-ND1 2.92Å; E90-H106 WeakPolarHBondContact OE2-CA 3.33Å; E90-H106 VanDerWaalsContact OE2-CB 3.26Å; E90-H106 WeakPolarHBondContact OE2-CB 3.38Å; E90-H106 IonicContact OE2-CG 3.33Å; E90-H106 PolarHBondContact OE2-N 2.87Å; E90-H106 IonicContact OE2-ND1 3.8Å; C104-H106 PolarHBondContact O-N 2.84Å; H106-Q109 PolarHBondContact O-N 3.01Å; H106-V110 WeakPolarHBondContact O-CG2 3.49Å; H106-V110 PolarHBondContact O-N 3.19Å; H106-V110 VanDerWaalsContact O-N 3.09Å
107F98.5Very high97.1Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-58.5-50.1175.2159.2-107000110.9H24 W87 Y88 E90 I91 Y94 F96 C104 Q109 V110 V111 V151H24-F107 AromaticContact CE1-CE2 3.87Å; H24-F107 AromaticContact CE1-CZ 3.72Å; H24-F107 AromaticContact NE2-CE2 3.84Å; W87-F107 WeakPolarHBondContact O-CA 3.15Å; W87-F107 PolarHBondContact O-N 3.19Å; Y88-F107 AromaticContact CD2-CD2 3.77Å; Y88-F107 HydrophobicContact CD2-CD2 3.77Å; Y88-F107 AromaticContact CD2-CE2 3.96Å; Y88-F107 HydrophobicContact CD2-CE2 3.96Å; Y88-F107 HydrophobicContact CE2-CD2 4.01Å; Y88-F107 AromaticContact CE2-CE2 3.7Å; Y88-F107 HydrophobicContact CE2-CE2 3.7Å; Y88-F107 HydrophobicContact CG-CD2 4.3Å; E90-F107 HydrophobicContact CB-CB 3.7Å; E90-F107 PolarHBondContact OE2-N 2.95Å; I91-F107 HydrophobicContact CB-CD2 3.76Å; I91-F107 HydrophobicContact CB-CE1 4.49Å; I91-F107 HydrophobicContact CB-CE2 3.74Å; I91-F107 HydrophobicContact CB-CG 4.17Å; I91-F107 HydrophobicContact CB-CZ 4.12Å; I91-F107 HydrophobicContact CD1-CE2 3.75Å; I91-F107 HydrophobicContact CD1-CZ 3.97Å; I91-F107 HydrophobicContact CG1-CD2 4.31Å; I91-F107 HydrophobicContact CG1-CE1 4.33Å; I91-F107 HydrophobicContact CG1-CE2 3.76Å; I91-F107 HydrophobicContact CG1-CZ 3.77Å; Y94-F107 HydrophobicContact CD1-CD1 4.41Å; Y94-F107 AromaticContact CD1-CE1 3.71Å; Y94-F107 HydrophobicContact CD1-CE1 3.71Å; Y94-F107 AromaticContact CD2-CD1 4Å; Y94-F107 HydrophobicContact CD2-CD1 4Å; Y94-F107 HydrophobicContact CD2-CE1 4.09Å; Y94-F107 HydrophobicContact CE1-CE1 4.15Å; Y94-F107 HydrophobicContact CE2-CE1 4.48Å; Y94-F107 AromaticContact CG-CD1 3.92Å; Y94-F107 HydrophobicContact CG-CD1 3.92Å; Y94-F107 AromaticContact CG-CE1 3.67Å; Y94-F107 HydrophobicContact CG-CE1 3.67Å; F96-F107 HydrophobicContact CE1-CE1 4.29Å; F96-F107 HydrophobicContact CE1-CZ 4.03Å; F96-F107 HydrophobicContact CZ-CE1 4.33Å; F96-F107 AromaticContact CZ-CZ 3.96Å; F96-F107 HydrophobicContact CZ-CZ 3.96Å; C104-F107 PolarHBondContact O-N 2.65Å; F107-Q109 VanDerWaalsContact C-N 3.27Å; F107-Q109 PolarHBondContact O-N 3.38Å; F107-V110 WeakPolarHBondContact O-CB 3.49Å; F107-V110 PolarHBondContact O-N 3.13Å; F107-V110 VanDerWaalsContact O-N 3.08Å; F107-V111 HydrophobicContact CD2-CG1 4.41Å; F107-V111 HydrophobicContact CD2-CG2 4.31Å; F107-V111 HydrophobicContact CE1-CG2 4.18Å; F107-V111 HydrophobicContact CE2-CB 4.49Å; F107-V111 HydrophobicContact CE2-CG1 3.89Å; F107-V111 HydrophobicContact CE2-CG2 3.75Å; F107-V111 HydrophobicContact CZ-CG2 3.67Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 3.48Å; F107-V111 VanDerWaalsContact O-N 3.13Å; F107-V151 HydrophobicContact CE1-CG1 3.6Å; F107-V151 HydrophobicContact CZ-CG1 4Å
108T98.3Very high97.3Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-62.4-36.4-176.152.10000111.7Y94 C104 G105 V111 W112 N142 F147 V151Y94-T108 HydrophobicContact CD2-CG2 3.94Å; Y94-T108 HydrophobicContact CE2-CG2 3.27Å; C104-T108 WeakPolarHBondContact O-CG2 3.37Å; C104-T108 PolarHBondContact O-N 3.39Å; C104-T108 PolarHBondContact O-OG1 2.65Å; G105-T108 VanDerWaalsContact CA-OG1 3.29Å; G105-T108 WeakPolarHBondContact CA-OG1 3.41Å; G105-T108 PolarHBondContact O-OG1 3.01Å; G105-T108 VanDerWaalsContact O-OG1 3.12Å; T108-V111 CarbonylContact O-C 3.53Å; T108-V111 PolarHBondContact O-N 2.7Å; T108-W112 WeakPolarHBondContact O-CA 3.26Å; T108-W112 WeakPolarHBondContact O-CB 3.37Å; T108-W112 PolarHBondContact O-N 3.46Å; T108-N142 WeakPolarHBondContact CB-OD1 3.4Å; T108-N142 PolarHBondContact OG1-OD1 2.66Å; T108-F147 HydrophobicContact CG2-CD1 3.84Å; T108-F147 HydrophobicContact CG2-CE1 3.85Å; T108-V151 HydrophobicContact CG2-CG1 4.13Å; T108-V151 HydrophobicContact CG2-CG2 3.81Å
109Q98.6Very high97.5Very high2 Ų233.4 Ų33.41%0.00918%0.179CC..Hα-helixtrans-66.8-40.8173.9-179.859.992.800112.6N63 G105 H106 F107 V111 W112 T115 Y137 N142N63-Q109 WeakPolarHBondContact OD1-CB 3.38Å; G105-Q109 WeakPolarHBondContact O-CB 3.28Å; G105-Q109 PolarHBondContact O-N 3.01Å; G105-Q109 VanDerWaalsContact O-N 3.12Å; H106-Q109 PolarHBondContact O-N 3.01Å; F107-Q109 VanDerWaalsContact C-N 3.27Å; F107-Q109 PolarHBondContact O-N 3.38Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 2.81Å; Q109-W112 PolarHBondContact O-N 2.63Å; Q109-T115 PolarHBondContact NE2-OG1 3.23Å; Q109-Y137 VanDerWaalsContact CD-CG 3.43Å; Q109-Y137 HydrophobicContact CG-CD1 3.98Å; Q109-Y137 HydrophobicContact CG-CD2 3.26Å; Q109-Y137 HydrophobicContact CG-CE1 4.1Å; Q109-Y137 HydrophobicContact CG-CE2 3.41Å; Q109-Y137 VanDerWaalsContact CG-CE2 3.41Å; Q109-Y137 HydrophobicContact CG-CG 3.56Å; Q109-N142 PolarHBondContact N-OD1 3.42Å
110V98.7Very high97.6Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-56.9-44.3176.4168.50000110.6R21 T84 W87 Y88 H106 F107R21-V110 WeakPolarHBondContact CD-O 3.18Å; R21-V110 VanDerWaalsContact CG-O 3.28Å; R21-V110 WeakPolarHBondContact CG-O 3.33Å; R21-V110 PolarHBondContact NH1-O 3.45Å; T84-V110 HydrophobicContact CG2-CG1 4.48Å; W87-V110 HydrophobicContact CB-CG2 3.81Å; W87-V110 HydrophobicContact CE3-CG2 4.38Å; Y88-V110 HydrophobicContact CD2-CG1 4.22Å; H106-V110 WeakPolarHBondContact O-CG2 3.49Å; H106-V110 PolarHBondContact O-N 3.19Å; H106-V110 VanDerWaalsContact O-N 3.09Å; F107-V110 WeakPolarHBondContact O-CB 3.49Å; F107-V110 PolarHBondContact O-N 3.13Å; F107-V110 VanDerWaalsContact O-N 3.08Å
111V98.5Very high97.7Very high0 Ų028.2 Ų28.20%015%0.153CC..THydrogen-bonded Turntrans-98.59.5-177.2-56.70000114.3C26 Y88 F107 T108 Q109 K113 N150 V151C26-V111 PolarHBondContact SG-O 3.23Å; Y88-V111 HydrophobicContact CD2-CG1 4.19Å; Y88-V111 HydrophobicContact CE2-CG1 3.9Å; F107-V111 HydrophobicContact CD2-CG1 4.41Å; F107-V111 HydrophobicContact CD2-CG2 4.31Å; F107-V111 HydrophobicContact CE1-CG2 4.18Å; F107-V111 HydrophobicContact CE2-CB 4.49Å; F107-V111 HydrophobicContact CE2-CG1 3.89Å; F107-V111 HydrophobicContact CE2-CG2 3.75Å; F107-V111 HydrophobicContact CZ-CG2 3.67Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 3.48Å; F107-V111 VanDerWaalsContact O-N 3.13Å; T108-V111 CarbonylContact O-C 3.53Å; T108-V111 PolarHBondContact O-N 2.7Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 2.81Å; V111-K113 PolarHBondContact O-N 3Å; V111-N150 VanDerWaalsContact O-O 3.13Å; V111-V151 HydrophobicContact CG2-CG1 3.76Å
112W98.6Very high97.8Very high2 Ų227.8 Ų27.81%0.00815%0.15CC..  trans-61.4112.4-176.9-161.3-99.8000110.8R21 T108 Q109 S114 T115 G141 N142 F143 E146 F147 N150 V151R21-W112 PolarHBondContact NH1-O 2.85Å; R21-W112 PolarHBondContact NH2-O 3.42Å; R21-W112 VanDerWaalsContact NH2-O 3.09Å; T108-W112 WeakPolarHBondContact O-CA 3.26Å; T108-W112 WeakPolarHBondContact O-CB 3.37Å; T108-W112 PolarHBondContact O-N 3.46Å; Q109-W112 PolarHBondContact O-N 2.63Å; W112-S114 VanDerWaalsContact C-N 3.28Å; W112-S114 PolarHBondContact O-N 3.12Å; W112-T115 PolarHBondContact O-N 3.16Å; W112-G141 VanDerWaalsContact CD1-CA 3.5Å; W112-G141 VanDerWaalsContact CD2-CA 3.47Å; W112-G141 VanDerWaalsContact CG-CA 3.5Å; W112-N142 VanDerWaalsContact CZ3-N 3.31Å; W112-F143 HydrophobicContact CZ2-CB 4.38Å; W112-E146 HydrophobicContact CH2-CB 3.95Å; W112-E146 HydrophobicContact CZ2-CB 3.82Å; W112-F147 HydrophobicContact CH2-CD2 4.04Å; W112-F147 HydrophobicContact CH2-CE2 4.35Å; W112-F147 HydrophobicContact CH2-CG 4.36Å; W112-F147 HydrophobicContact CZ3-CD1 4.31Å; W112-F147 HydrophobicContact CZ3-CD2 4.14Å; W112-F147 HydrophobicContact CZ3-CE2 4.38Å; W112-F147 HydrophobicContact CZ3-CG 4.08Å; W112-N150 HydrophobicContact CD2-CB 3.4Å; W112-N150 HydrophobicContact CE3-CB 3.7Å; W112-N150 HydrophobicContact CG-CB 3.97Å; W112-N150 HydrophobicContact CH2-CB 3.87Å; W112-N150 HydrophobicContact CZ2-CB 3.59Å; W112-N150 WeakPolarHBondContact CZ2-ND2 3.27Å; W112-N150 HydrophobicContact CZ3-CB 3.92Å; W112-N150 PolarHBondContact NE1-OD1 2.56Å; W112-V151 HydrophobicContact CE3-CG2 3.84Å; W112-V151 HydrophobicContact CZ3-CG2 3.91Å
113K98.3Very high97.8Very high101 Ų10123 Ų2344%0.43913%0.131SC..THydrogen-bonded Turntrans-58.8-39.3-169.6-172.7-178.5175.8-173.30112.8V111 N150V111-K113 PolarHBondContact O-N 3Å; K113-N150 HydrophobicContact CB-CB 4.4Å; K113-N150 WeakPolarHBondContact CB-O 3.47Å; K113-N150 PolarHBondContact N-O 3.27Å
114S98.3Very high97.8Very high59 Ų5919.8 Ų19.841%0.41310%0.104SC..THydrogen-bonded Turntrans-82.1-10.5-176.6-600000114.6W112 N150W112-S114 VanDerWaalsContact C-N 3.28Å; W112-S114 PolarHBondContact O-N 3.12Å; S114-N150 WeakPolarHBondContact CB-OD1 3.2Å; S114-N150 PolarHBondContact N-OD1 2.97Å; S114-N150 VanDerWaalsContact N-OD1 3.11Å; S114-N150 PolarHBondContact OG-OD1 3.47Å
115T98.8Very high97.6Very high2 Ų219.6 Ų19.61%0.01210%0.102CC..  trans-70.3133.5172-62.90000109.6R21 L29 Q109 W112 Y137 P139R21-T115 PolarHBondContact NH2-O 3.4Å; L29-T115 HydrophobicContact CD2-CG2 3.73Å; L29-T115 VanDerWaalsContact CD2-O 3.24Å; L29-T115 WeakPolarHBondContact CD2-O 3.48Å; Q109-T115 PolarHBondContact NE2-OG1 3.23Å; W112-T115 PolarHBondContact O-N 3.16Å; T115-Y137 HydrophobicContact CG2-CD1 4.13Å; T115-Y137 HydrophobicContact CG2-CG 4.44Å; T115-P139 PolarHBondContact OG1-O 2.99Å
116I98.6Very high97.4Very high97 Ų9728.2 Ų28.250%0.49714%0.137SC..  trans-112.3-44.7-172.3-60.6168.8000111.5L29 I30 D138L29-I116 WeakPolarHBondContact CA-O 3.48Å; I30-I116 PolarHBondContact N-O 3.32Å; I116-D138 PolarHBondContact N-O 3.32Å
117T98.6Very high97.1Very high24 Ų2430.5 Ų30.515%0.14715%0.151CC..EExtended strand (participates in β ladder)trans-122.2153.1-177.777.90000112I30 N32 D138I30-T117 HydrophobicContact CB-CG2 4.36Å; I30-T117 WeakPolarHBondContact O-CA 3.48Å; I30-T117 WeakPolarHBondContact O-CB 3.47Å; N32-T117 PolarHBondContact ND2-OG1 2.83Å; T117-D138 PolarHBondContact N-O 2.83Å; T117-D138 PolarHBondContact O-N 3.04Å
118A98.7Very high96.8Very high0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-147158174.700000111.5I14 L29 I30 L31 N32 F120 R136 Y137I14-A118 HydrophobicContact CD1-CB 4.42Å; L29-A118 HydrophobicContact CD1-CB 4Å; I30-A118 PolarHBondContact O-N 3.47Å; L31-A118 WeakPolarHBondContact CA-O 3.28Å; N32-A118 PolarHBondContact N-O 3.21Å; A118-F120 HydrophobicContact CB-CE2 3.93Å; A118-F120 HydrophobicContact CB-CZ 3.75Å; A118-R136 CarbonylContact C-O 3.6Å; A118-R136 WeakPolarHBondContact CA-O 3.24Å; A118-R136 WeakPolarHBondContact CB-O 3.32Å; A118-Y137 HydrophobicContact CB-CD1 3.89Å; A118-Y137 HydrophobicContact CB-CE1 4.23Å
119G98.4Very high96.6Very high0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-147.7151.5173.100000110.7R136G119-R136 PolarHBondContact N-O 2.82Å; G119-R136 PolarHBondContact O-N 2.96Å
120F98.3Very high96.4Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-134.2150.4-168.6-52.1-87.7000111.9F9 N10 C13 I14 H17 W87 A118 V134 Y137F9-F120 HydrophobicContact CD1-CB 4.25Å; F9-F120 HydrophobicContact CE1-CB 3.91Å; N10-F120 PolarHBondContact ND2-O 3.32Å; N10-F120 PolarHBondContact OD1-N 3.06Å; N10-F120 PolarHBondContact OD1-O 2.92Å; C13-F120 HydrophobicContact CB-CB 4.34Å; C13-F120 HydrophobicContact CB-CD1 4.01Å; C13-F120 HydrophobicContact CB-CD2 3.34Å; C13-F120 HydrophobicContact CB-CE1 4.15Å; C13-F120 HydrophobicContact CB-CE2 3.5Å; C13-F120 HydrophobicContact CB-CG 3.62Å; C13-F120 HydrophobicContact CB-CZ 3.91Å; I14-F120 HydrophobicContact CD1-CE2 3.85Å; I14-F120 HydrophobicContact CG1-CE2 4Å; H17-F120 AromaticContact CE1-CE1 3.43Å; H17-F120 VanDerWaalsContact CE1-CE1 3.43Å; H17-F120 WeakPolarHBondContact CE1-CE1 3.31Å; H17-F120 AromaticContact CE1-CZ 3.44Å; H17-F120 VanDerWaalsContact CE1-CZ 3.44Å; H17-F120 WeakPolarHBondContact CE1-CZ 3.27Å; H17-F120 AromaticContact ND1-CZ 3.78Å; H17-F120 AromaticContact NE2-CE1 3.75Å; H17-F120 AromaticContact NE2-CZ 3.74Å; W87-F120 HydrophobicContact CH2-CD1 4.22Å; W87-F120 HydrophobicContact CH2-CE1 4.46Å; W87-F120 HydrophobicContact CZ3-CD1 4.08Å; W87-F120 AromaticContact CZ3-CE1 3.92Å; W87-F120 HydrophobicContact CZ3-CE1 3.92Å; A118-F120 HydrophobicContact CB-CE2 3.93Å; A118-F120 HydrophobicContact CB-CZ 3.75Å; F120-V134 CarbonylContact C-O 3.59Å; F120-V134 VanDerWaalsContact CA-O 3.31Å; F120-V134 WeakPolarHBondContact CA-O 3.1Å; F120-Y137 HydrophobicContact CE1-CE1 4.33Å; F120-Y137 HydrophobicContact CZ-CE1 4.42Å
121G97.1Very high96.3Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-138.8151.4177.700000111.3V133 V134G121-V133 WeakPolarHBondContact O-CA 3.48Å; G121-V134 PolarHBondContact N-O 3.18Å; G121-V134 PolarHBondContact O-N 3.26Å
122R96.1Very high96.2Very high7 Ų738.8 Ų38.83%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-142.6144.817263.8174.3173.4175.63.2112D6 F9 Q40 K75 F78 W124 Y132 V133D6-R122 IonicContact OD1-NH2 2.65Å; D6-R122 IonicContact OD2-CZ 3.71Å; D6-R122 IonicContact OD2-NE 2.65Å; D6-R122 PolarHBondContact OD2-NE 2.95Å; D6-R122 IonicContact OD2-NH2 3.85Å; D6-R122 PolarHBondContact OD2-NH2 3.31Å; F9-R122 HydrophobicContact CD1-CB 4.39Å; F9-R122 HydrophobicContact CD1-CG 4Å; F9-R122 VanDerWaalsContact CD2-CD 3.47Å; F9-R122 HydrophobicContact CD2-CG 4.28Å; F9-R122 HydrophobicContact CE1-CB 3.95Å; F9-R122 HydrophobicContact CE1-CG 4.07Å; F9-R122 HydrophobicContact CE2-CB 4.43Å; F9-R122 HydrophobicContact CE2-CG 4.33Å; F9-R122 HydrophobicContact CG-CG 4.11Å; F9-R122 HydrophobicContact CZ-CB 3.98Å; F9-R122 HydrophobicContact CZ-CG 4.24Å; Q40-R122 PolarHBondContact NE2-O 2.85Å; Q40-R122 PolarHBondContact OE1-O 2.84Å; K75-R122 PolarHBondContact O-NH1 3.08Å; F78-R122 PolarHBondContact O-NH1 3.12Å; R122-W124 VanDerWaalsContact CD-CH2 3.44Å; R122-W124 HydrophobicContact CG-CH2 3.87Å; R122-W124 HydrophobicContact CG-CZ3 4.03Å; R122-Y132 CarbonylContact C-O 3.53Å; R122-Y132 WeakPolarHBondContact CA-O 3.35Å; R122-V133 HydrophobicContact CB-CG2 4.33Å
123A95.1Very high96.1Very high7 Ų738.7 Ų38.76%0.05819%0.187CC..EExtended strand (participates in β ladder)trans-141.9155.4174.300000111.1A43 E44 A47 I131 Y132A43-A123 VanDerWaalsContact C-CB 3.46Å; A43-A123 HydrophobicContact CB-CB 4.06Å; A43-A123 WeakPolarHBondContact O-CB 3.49Å; E44-A123 HydrophobicContact CB-CB 4.4Å; E44-A123 HydrophobicContact CG-CB 3.92Å; A47-A123 HydrophobicContact CB-CB 3.69Å; A123-I131 CarbonylContact O-C 3.51Å; A123-I131 WeakPolarHBondContact O-CA 3.45Å; A123-Y132 PolarHBondContact N-O 2.66Å; A123-Y132 PolarHBondContact O-N 2.94Å
124W94Very high96.1Very high49 Ų4933.9 Ų33.919%0.18617%0.166CC..EExtended strand (participates in β ladder)trans-104.8144.4177.9-70.3-99.3000109.6K75 R122 R128 S130K75-W124 HydrophobicContact CB-CH2 4.33Å; K75-W124 HydrophobicContact CB-CZ2 4.43Å; K75-W124 HydrophobicContact CD-CH2 4.46Å; K75-W124 HydrophobicContact CG-CH2 3.66Å; K75-W124 HydrophobicContact CG-CZ2 4.08Å; K75-W124 HydrophobicContact CG-CZ3 4.29Å; R122-W124 VanDerWaalsContact CD-CH2 3.44Å; R122-W124 HydrophobicContact CG-CH2 3.87Å; R122-W124 HydrophobicContact CG-CZ3 4.03Å; W124-R128 HydrophobicContact CB-CG 4.35Å; W124-S130 CarbonylContact C-O 3.58Å; W124-S130 VanDerWaalsContact CA-O 3.29Å; W124-S130 WeakPolarHBondContact CA-O 3.46Å
125S93.7Very high96.1Very high3 Ų331 Ų312%0.02115%0.147CC..  trans-55.9160.1163.956.60000110.5D127 R128 H129 S130S125-D127 WeakPolarHBondContact CB-OD1 3.31Å; S125-D127 PolarHBondContact O-N 2.9Å; S125-D127 PolarHBondContact OG-OD1 2.88Å; S125-R128 WeakPolarHBondContact O-CA 3.47Å; S125-R128 PolarHBondContact O-N 2.69Å; S125-R128 PolarHBondContact OG-N 3.25Å; S125-H129 PolarHBondContact OG-N 3.12Å; S125-S130 PolarHBondContact N-O 3.37Å; S125-S130 WeakPolarHBondContact OG-CB 3.36Å; S125-S130 PolarHBondContact OG-N 2.96Å; S125-S130 PolarHBondContact OG-O 2.7Å
126K91.4Very high96.1Very high192 Ų19231 Ų3184%0.83515%0.146SC*.THydrogen-bonded Turntrans-57.4-34.3-178.2-69.4-179.5-179.1171.20113.5R128K126-R128 VanDerWaalsContact C-N 3.32Å
127D92.8Very high96.1Very high96 Ų9626.4 Ų26.451%0.51312%0.123SC..THydrogen-bonded Turntrans-84.1-6.3176.965.50.8000113.4S125 H129S125-D127 WeakPolarHBondContact CB-OD1 3.31Å; S125-D127 PolarHBondContact O-N 2.9Å; S125-D127 PolarHBondContact OG-OD1 2.88Å; D127-H129 PolarHBondContact O-CD2 2.94Å; D127-H129 PolarHBondContact O-N 3.41Å; D127-H129 PolarHBondContact OD1-N 3.4Å
128R92.5Very high96.1Very high82 Ų8228.6 Ų28.631%0.30913%0.134SC..SBendtrans5925.4-177.8-54.1179.162.7-176.56.1114.4I72 A73 Q74 W124 S125 K126I72-R128 HydrophobicContact CG2-CB 3.9Å; I72-R128 HydrophobicContact CG2-CG 4.46Å; A73-R128 VanDerWaalsContact CB-O 3.28Å; A73-R128 WeakPolarHBondContact CB-O 3.44Å; A73-R128 PolarHBondContact N-O 3.12Å; A73-R128 PolarHBondContact O-NE 3.49Å; A73-R128 VanDerWaalsContact O-NE 3.08Å; A73-R128 PolarHBondContact O-NH2 2.98Å; Q74-R128 VanDerWaalsContact CD-NH2 3.26Å; W124-R128 HydrophobicContact CB-CG 4.35Å; S125-R128 WeakPolarHBondContact O-CA 3.47Å; S125-R128 PolarHBondContact O-N 2.69Å; S125-R128 PolarHBondContact OG-N 3.25Å; K126-R128 VanDerWaalsContact C-N 3.32Å
129H93.9Very high96Very high59 Ų5931.1 Ų31.127%0.27315%0.15SC..SBendtrans-94.5-9.7172.6-76.1-78.3000113.3T68 T69 T70 S125 D127T68-H129 CarbonylContact C-O 3.59Å; T68-H129 VanDerWaalsContact CA-O 3.26Å; T68-H129 WeakPolarHBondContact CA-O 3.2Å; T69-H129 PolarHBondContact N-O 2.91Å; T69-H129 PolarHBondContact O-ND1 3.38Å; T70-H129 PolarHBondContact O-CE1 3.36Å; T70-H129 VanDerWaalsContact O-CE1 3.29Å; S125-H129 PolarHBondContact OG-N 3.12Å; D127-H129 PolarHBondContact O-CD2 2.94Å; D127-H129 PolarHBondContact O-N 3.41Å; D127-H129 PolarHBondContact OD1-N 3.4Å
130S94.2Very high96Very high20 Ų2032.6 Ų32.614%0.1416%0.16CC..EExtended strand (participates in β ladder)trans-127.9147.1176.8-54.20000111.7F67 W124 S125F67-S130 CarbonylContact O-C 3.53Å; F67-S130 VanDerWaalsContact O-CA 3.27Å; F67-S130 WeakPolarHBondContact O-CA 3.33Å; W124-S130 CarbonylContact C-O 3.58Å; W124-S130 VanDerWaalsContact CA-O 3.29Å; W124-S130 WeakPolarHBondContact CA-O 3.46Å; S125-S130 PolarHBondContact N-O 3.37Å; S125-S130 WeakPolarHBondContact OG-CB 3.36Å; S125-S130 PolarHBondContact OG-N 2.96Å; S125-S130 PolarHBondContact OG-O 2.7Å
131I95.4Very high95.9Very high7 Ų733.1 Ų33.14%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-127.7125.9178.3-43.5179000108F66 F67 A73 F78 A123 V133F66-I131 WeakPolarHBondContact CA-O 3.36Å; F67-I131 HydrophobicContact CB-CB 4.26Å; F67-I131 PolarHBondContact N-O 3.49Å; F67-I131 PolarHBondContact O-N 2.74Å; A73-I131 HydrophobicContact CB-CD1 4.03Å; A73-I131 HydrophobicContact CB-CG1 4.32Å; F78-I131 HydrophobicContact CB-CD1 3.49Å; F78-I131 VanDerWaalsContact CB-CD1 3.49Å; F78-I131 HydrophobicContact CD1-CD1 4.38Å; F78-I131 HydrophobicContact CD1-CG2 4.14Å; F78-I131 HydrophobicContact CD2-CD1 4.45Å; F78-I131 HydrophobicContact CG-CD1 3.84Å; A123-I131 CarbonylContact O-C 3.51Å; A123-I131 WeakPolarHBondContact O-CA 3.45Å; I131-V133 HydrophobicContact CG2-CG2 4.3Å
132Y96.2Very high95.9Very high7 Ų734.9 Ų34.93%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-106.3130.5176.3-63.4-96.9000108.2L46 A47 N50 E51 L52 F66 R122 A123L46-Y132 HydrophobicContact CB-CD1 3.66Å; L46-Y132 HydrophobicContact CB-CE1 4.34Å; L46-Y132 HydrophobicContact CB-CG 4.06Å; A47-Y132 HydrophobicContact CB-CD2 3.57Å; A47-Y132 HydrophobicContact CB-CE2 4.07Å; A47-Y132 HydrophobicContact CB-CG 4.22Å; N50-Y132 VanDerWaalsContact C-OH 3.28Å; N50-Y132 WeakPolarHBondContact CA-OH 3.33Å; N50-Y132 PolarHBondContact O-OH 3.37Å; E51-Y132 VanDerWaalsContact O-CE1 3.25Å; E51-Y132 WeakPolarHBondContact O-CE1 3.36Å; L52-Y132 HydrophobicContact CD1-CD1 4.11Å; F66-Y132 AromaticContact CD2-CD1 3.86Å; F66-Y132 HydrophobicContact CD2-CD1 3.86Å; F66-Y132 AromaticContact CD2-CE1 3.56Å; F66-Y132 HydrophobicContact CD2-CE1 3.56Å; F66-Y132 HydrophobicContact CD2-CE2 4.25Å; F66-Y132 HydrophobicContact CD2-CG 4.32Å; F66-Y132 AromaticContact CD2-CZ 3.78Å; F66-Y132 HydrophobicContact CE2-CD1 4.32Å; F66-Y132 HydrophobicContact CE2-CD2 4.49Å; F66-Y132 AromaticContact CE2-CE1 3.66Å; F66-Y132 HydrophobicContact CE2-CE1 3.66Å; F66-Y132 AromaticContact CE2-CE2 3.84Å; F66-Y132 HydrophobicContact CE2-CE2 3.84Å; F66-Y132 AromaticContact CE2-CZ 3.38Å; F66-Y132 WeakPolarHBondContact CE2-OH 3.39Å; R122-Y132 CarbonylContact C-O 3.53Å; R122-Y132 WeakPolarHBondContact CA-O 3.35Å; A123-Y132 PolarHBondContact N-O 2.66Å; A123-Y132 PolarHBondContact O-N 2.94Å
133V97.4Very high95.9Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-126.5135.3-178.4-176.10000109F9 L64 A65 F67 F78 A83 W87 G121 R122 I131F9-V133 HydrophobicContact CE1-CG1 4.19Å; F9-V133 HydrophobicContact CZ-CG1 3.72Å; F9-V133 HydrophobicContact CZ-CG2 4.42Å; L64-V133 CarbonylContact C-O 3.53Å; L64-V133 WeakPolarHBondContact CA-O 3.33Å; A65-V133 HydrophobicContact CB-CB 4.19Å; A65-V133 PolarHBondContact N-O 2.84Å; A65-V133 PolarHBondContact O-N 3.08Å; F67-V133 HydrophobicContact CD2-CG2 4.2Å; F67-V133 HydrophobicContact CE2-CG2 4Å; F78-V133 HydrophobicContact CD1-CG2 4.37Å; F78-V133 HydrophobicContact CE1-CG2 3.46Å; F78-V133 VanDerWaalsContact CE1-CG2 3.46Å; F78-V133 HydrophobicContact CZ-CG2 3.94Å; A83-V133 HydrophobicContact CB-CG1 3.85Å; W87-V133 HydrophobicContact CH2-CG1 3.85Å; W87-V133 HydrophobicContact CZ2-CG1 3.97Å; G121-V133 WeakPolarHBondContact O-CA 3.48Å; R122-V133 HydrophobicContact CB-CG2 4.33Å; I131-V133 HydrophobicContact CG2-CG2 4.3Å
134V98Very high95.9Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-125.3130177.2-177.10000108.2A39 Y42 A43 L46 E62 N63 L64 F120 G121 R136A39-V134 HydrophobicContact CB-CB 4.16Å; A39-V134 HydrophobicContact CB-CG1 4.01Å; Y42-V134 HydrophobicContact CD1-CG1 4.18Å; Y42-V134 HydrophobicContact CD1-CG2 3.87Å; A43-V134 HydrophobicContact CB-CB 4.44Å; A43-V134 HydrophobicContact CB-CG2 3.8Å; L46-V134 HydrophobicContact CD1-CG2 3.81Å; E62-V134 HydrophobicContact CG-CG1 4.38Å; N63-V134 CarbonylContact O-C 3.59Å; N63-V134 WeakPolarHBondContact O-CA 3.39Å; L64-V134 HydrophobicContact CD2-CB 4.21Å; L64-V134 HydrophobicContact CD2-CG1 4.08Å; L64-V134 HydrophobicContact CD2-CG2 3.72Å; F120-V134 CarbonylContact C-O 3.59Å; F120-V134 VanDerWaalsContact CA-O 3.31Å; F120-V134 WeakPolarHBondContact CA-O 3.1Å; G121-V134 PolarHBondContact N-O 3.18Å; G121-V134 PolarHBondContact O-N 3.26Å; V134-R136 HydrophobicContact CG1-CG 4.48Å
135G98.5Very high95.9Very high0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-111.4135.2165.600000110E62 N63E62-G135 VanDerWaalsContact CA-O 3.28Å; E62-G135 WeakPolarHBondContact CA-O 3.49Å; N63-G135 PolarHBondContact N-O 2.94Å; N63-G135 PolarHBondContact O-N 3.38Å
136R98.5Very high96.1Very high1 Ų149.1 Ų49.10%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-114.8137.1175.6-71.8-67.3-161.4-146.6-2.4109.6L35 D38 A39 T58 G61 E62 A118 G119 V134L35-R136 HydrophobicContact CB-CB 3.94Å; L35-R136 HydrophobicContact CD1-CB 4.47Å; L35-R136 HydrophobicContact CD2-CB 4.25Å; L35-R136 HydrophobicContact CG-CB 4.44Å; D38-R136 IonicContact OD2-CZ 3.49Å; D38-R136 VanDerWaalsContact OD2-CZ 3.29Å; D38-R136 IonicContact OD2-NE 4Å; D38-R136 PolarHBondContact OD2-NE 2.93Å; D38-R136 IonicContact OD2-NH2 3.37Å; D38-R136 PolarHBondContact OD2-NH2 3.12Å; A39-R136 HydrophobicContact CB-CB 4.47Å; A39-R136 HydrophobicContact CB-CG 3.79Å; T58-R136 VanDerWaalsContact CG2-NH1 3.34Å; T58-R136 PolarHBondContact OG1-NH1 3Å; G61-R136 VanDerWaalsContact O-CA 3.32Å; G61-R136 WeakPolarHBondContact O-CA 3.38Å; E62-R136 VanDerWaalsContact CD-NH1 3.31Å; E62-R136 IonicContact OE2-CZ 3.71Å; E62-R136 IonicContact OE2-NH1 3.29Å; E62-R136 PolarHBondContact OE2-NH1 3.35Å; E62-R136 IonicContact OE2-NH2 3.42Å; A118-R136 CarbonylContact C-O 3.6Å; A118-R136 WeakPolarHBondContact CA-O 3.24Å; A118-R136 WeakPolarHBondContact CB-O 3.32Å; G119-R136 PolarHBondContact N-O 2.82Å; G119-R136 PolarHBondContact O-N 2.96Å; V134-R136 HydrophobicContact CG1-CG 4.48Å
137Y98.7Very high96.3Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-132.2135.7-173-57.1-89000111.4H17 S60 G61 N63 Q109 T115 A118 F120H17-Y137 AromaticContact NE2-CE1 3.7Å; H17-Y137 AromaticContact NE2-CZ 3.89Å; H17-Y137 PolarHBondContact NE2-OH 3.39Å; H17-Y137 VanDerWaalsContact NE2-OH 3.16Å; S60-Y137 WeakPolarHBondContact CA-O 3.29Å; S60-Y137 WeakPolarHBondContact CB-O 3.42Å; G61-Y137 PolarHBondContact N-O 3.42Å; G61-Y137 PolarHBondContact O-N 2.94Å; N63-Y137 HydrophobicContact CB-CE2 3.82Å; N63-Y137 PolarHBondContact ND2-OH 3.13Å; Q109-Y137 VanDerWaalsContact CD-CG 3.43Å; Q109-Y137 HydrophobicContact CG-CD1 3.98Å; Q109-Y137 HydrophobicContact CG-CD2 3.26Å; Q109-Y137 HydrophobicContact CG-CE1 4.1Å; Q109-Y137 HydrophobicContact CG-CE2 3.41Å; Q109-Y137 VanDerWaalsContact CG-CE2 3.41Å; Q109-Y137 HydrophobicContact CG-CG 3.56Å; T115-Y137 HydrophobicContact CG2-CD1 4.13Å; T115-Y137 HydrophobicContact CG2-CG 4.44Å; A118-Y137 HydrophobicContact CB-CD1 3.89Å; A118-Y137 HydrophobicContact CB-CE1 4.23Å; F120-Y137 HydrophobicContact CE1-CE1 4.33Å; F120-Y137 HydrophobicContact CZ-CE1 4.42Å
138D98.4Very high96.5Very high71 Ų7139.7 Ų39.738%0.3821%0.21SC..EExtended strand (participates in β ladder)trans-140126.9179.4-179.352.4000112L35 I116 T117L35-D138 HydrophobicContact CD1-CB 3.81Å; I116-D138 PolarHBondContact N-O 3.32Å; T117-D138 PolarHBondContact N-O 2.83Å; T117-D138 PolarHBondContact O-N 3.04Å
139P97.9Very high96.7Very high53 Ų5342.5 Ų42.534%0.34423%0.227SC..SBendcis-57.5153.1-12.2-25.335.4000113T115T115-P139 PolarHBondContact OG1-O 2.99Å
140P97.4Very high96.9Very high31 Ų3139.7 Ų39.720%0.20121%0.214CC..  trans-55.8147.9172.319-29.8000111.7F143P140-F143 HydrophobicContact CB-CE2 4.16Å; P140-F143 HydrophobicContact CB-CZ 4.34Å; P140-F143 HydrophobicContact CG-CE2 3.8Å; P140-F143 HydrophobicContact CG-CZ 3.75Å; P140-F143 VanDerWaalsContact O-CE2 3.24Å; P140-F143 WeakPolarHBondContact O-CE2 3.38Å
141G97.4Very high97.1Very high10 Ų1038.9 Ų38.910%0.10321%0.208CC..  trans-96.3-165.9169.400000112.9W112 F143W112-G141 VanDerWaalsContact CD1-CA 3.5Å; W112-G141 VanDerWaalsContact CD2-CA 3.47Å; W112-G141 VanDerWaalsContact CG-CA 3.5Å; G141-F143 VanDerWaalsContact C-N 3.27Å; G141-F143 PolarHBondContact O-N 3.32Å
142N96.9Very high97.1Very high38 Ų3840 Ų4020%0.20322%0.216CC..  trans6130172.4-57-16.6000114.7G105 T108 Q109 W112 F147G105-N142 PolarHBondContact O-ND2 3.22Å; T108-N142 WeakPolarHBondContact CB-OD1 3.4Å; T108-N142 PolarHBondContact OG1-OD1 2.66Å; Q109-N142 PolarHBondContact N-OD1 3.42Å; W112-N142 VanDerWaalsContact CZ3-N 3.31Å; N142-F147 HydrophobicContact CB-CZ 4.14Å
143F95.4Very high97.2Very high97 Ų9743.3 Ų43.343%0.42524%0.238SC..  trans-69.4137.3168.9-73.8-74.8000110.9W112 P140 G141 D145 E146 F147W112-F143 HydrophobicContact CZ2-CB 4.38Å; P140-F143 HydrophobicContact CB-CE2 4.16Å; P140-F143 HydrophobicContact CB-CZ 4.34Å; P140-F143 HydrophobicContact CG-CE2 3.8Å; P140-F143 HydrophobicContact CG-CZ 3.75Å; P140-F143 VanDerWaalsContact O-CE2 3.24Å; P140-F143 WeakPolarHBondContact O-CE2 3.38Å; G141-F143 VanDerWaalsContact C-N 3.27Å; G141-F143 PolarHBondContact O-N 3.32Å; F143-D145 PolarHBondContact O-N 3.14Å; F143-E146 HydrophobicContact CB-CB 4.23Å; F143-E146 HydrophobicContact CB-CG 4.11Å; F143-E146 PolarHBondContact O-N 2.92Å; F143-F147 WeakPolarHBondContact O-CD2 3.25Å; F143-F147 VanDerWaalsContact O-CE2 3.3Å; F143-F147 WeakPolarHBondContact O-CE2 3.38Å
144S95.3Very high97.2Very high74 Ų7447.7 Ų47.752%0.51726%0.261SS..THydrogen-bonded Turntrans-57.2137.4178.2-59.60000111.2N100 E146N100-S144 VanDerWaalsContact OD1-CA 3.23Å; N100-S144 WeakPolarHBondContact OD1-CA 3.43Å; S144-E146 PolarHBondContact O-N 3.46Å
145D94.8Very high97Very high115 Ų11552.5 Ų52.562%0.61529%0.286SS*.THydrogen-bonded Turntrans64.914.8178-51.4-42.3000115N100 F143N100-D145 PolarHBondContact ND2-OD1 2.95Å; N100-D145 PolarHBondContact OD1-N 3.3Å; F143-D145 PolarHBondContact O-N 3.14Å
146E96.5Very high96.1Very high79 Ų7957.7 Ų57.737%0.36932%0.322SS..  trans-112.65.9176.2-64.3-173.1-160.300113.4W112 F143 S144 E149 N150W112-E146 HydrophobicContact CH2-CB 3.95Å; W112-E146 HydrophobicContact CZ2-CB 3.82Å; F143-E146 HydrophobicContact CB-CB 4.23Å; F143-E146 HydrophobicContact CB-CG 4.11Å; F143-E146 PolarHBondContact O-N 2.92Å; S144-E146 PolarHBondContact O-N 3.46Å; E146-E149 PolarHBondContact O-N 2.98Å; E146-N150 WeakPolarHBondContact O-CB 3.41Å; E146-N150 PolarHBondContact O-N 3.39Å; E146-N150 VanDerWaalsContact O-N 3.13Å; E146-N150 PolarHBondContact O-ND2 3.07Å
147F97.1Very high94.2Very high0 Ų070.5 Ų70.50%038%0.378CS..Hα-helixtrans-71-41-172.3-74.2-122.5000111.4Y94 E99 F102 T108 W112 N142 F143 E149 N150 V151Y94-F147 HydrophobicContact CE2-CD1 4.35Å; E99-F147 WeakPolarHBondContact OE2-CA 3.4Å; E99-F147 VanDerWaalsContact OE2-CB 3.24Å; E99-F147 WeakPolarHBondContact OE2-CB 3.47Å; E99-F147 PolarHBondContact OE2-N 3.29Å; F102-F147 HydrophobicContact CD1-CZ 4.02Å; F102-F147 HydrophobicContact CE1-CE2 4.12Å; F102-F147 AromaticContact CE1-CZ 3.93Å; F102-F147 HydrophobicContact CE1-CZ 3.93Å; F102-F147 HydrophobicContact CZ-CE2 4.49Å; T108-F147 HydrophobicContact CG2-CD1 3.84Å; T108-F147 HydrophobicContact CG2-CE1 3.85Å; W112-F147 HydrophobicContact CH2-CD2 4.04Å; W112-F147 HydrophobicContact CH2-CE2 4.35Å; W112-F147 HydrophobicContact CH2-CG 4.36Å; W112-F147 HydrophobicContact CZ3-CD1 4.31Å; W112-F147 HydrophobicContact CZ3-CD2 4.14Å; W112-F147 HydrophobicContact CZ3-CE2 4.38Å; W112-F147 HydrophobicContact CZ3-CG 4.08Å; N142-F147 HydrophobicContact CB-CZ 4.14Å; F143-F147 WeakPolarHBondContact O-CD2 3.25Å; F143-F147 VanDerWaalsContact O-CE2 3.3Å; F143-F147 WeakPolarHBondContact O-CE2 3.38Å; F147-E149 PolarHBondContact O-N 2.9Å; F147-N150 PolarHBondContact O-N 3.3Å; F147-V151 HydrophobicContact CB-CG2 4.48Å; F147-V151 HydrophobicContact CD1-CG2 4.47Å; F147-V151 WeakPolarHBondContact O-CA 3.26Å; F147-V151 VanDerWaalsContact O-CB 3.27Å; F147-V151 WeakPolarHBondContact O-CB 3.38Å; F147-V151 WeakPolarHBondContact O-CG2 3.35Å; F147-V151 PolarHBondContact O-N 3.18Å
148L95.2Very high93.9Very high89 Ų8974.1 Ų74.147%0.46640%0.397SS..Hα-helixtrans-66-29-179.4-67.7175.8000112.7F96 E99F96-L148 VanDerWaalsContact O-CD2 3.26Å; F96-L148 WeakPolarHBondContact O-CD2 3.29Å; E99-L148 HydrophobicContact CG-CD1 4.02Å; E99-L148 HydrophobicContact CG-CG 4.1Å; E99-L148 WeakPolarHBondContact OE1-CB 3.48Å; E99-L148 VanDerWaalsContact OE1-CD1 3.23Å; E99-L148 WeakPolarHBondContact OE1-CD1 3.06Å; E99-L148 WeakPolarHBondContact OE1-CG 3.28Å; E99-L148 PolarHBondContact OE1-N 2.86Å; E99-L148 PolarHBondContact OE2-N 3.49Å
149E96.6Very high93.7Very high141 Ų14174.2 Ų74.266%0.65940%0.398SS*.Hα-helixtrans-77.2-36.8175.7-179.9171.1-174.600112.2E146 F147E146-E149 PolarHBondContact O-N 2.98Å; F147-E149 PolarHBondContact O-N 2.9Å
150N98.2Very high93.5Very high1 Ų175.4 Ų75.41%0.00540%0.401CS..Hα-helixtrans-101.1-14.1-170.3-74.4-78.3000115.3V111 W112 K113 S114 E146 F147 P152V111-N150 VanDerWaalsContact O-O 3.13Å; W112-N150 HydrophobicContact CD2-CB 3.4Å; W112-N150 HydrophobicContact CE3-CB 3.7Å; W112-N150 HydrophobicContact CG-CB 3.97Å; W112-N150 HydrophobicContact CH2-CB 3.87Å; W112-N150 HydrophobicContact CZ2-CB 3.59Å; W112-N150 WeakPolarHBondContact CZ2-ND2 3.27Å; W112-N150 HydrophobicContact CZ3-CB 3.92Å; W112-N150 PolarHBondContact NE1-OD1 2.56Å; K113-N150 HydrophobicContact CB-CB 4.4Å; K113-N150 WeakPolarHBondContact CB-O 3.47Å; K113-N150 PolarHBondContact N-O 3.27Å; S114-N150 WeakPolarHBondContact CB-OD1 3.2Å; S114-N150 PolarHBondContact N-OD1 2.97Å; S114-N150 VanDerWaalsContact N-OD1 3.11Å; S114-N150 PolarHBondContact OG-OD1 3.47Å; E146-N150 WeakPolarHBondContact O-CB 3.41Å; E146-N150 PolarHBondContact O-N 3.39Å; E146-N150 VanDerWaalsContact O-N 3.13Å; E146-N150 PolarHBondContact O-ND2 3.07Å; F147-N150 PolarHBondContact O-N 3.3Å; N150-P152 WeakPolarHBondContact O-CD 3.43Å
151V98.1Very high93.2Very high3 Ų378 Ų782%0.01841%0.412CS..SBendtrans-119.572.1-177.8-171.20000109.5Y94 F96 F107 T108 V111 W112 F147Y94-V151 HydrophobicContact CD1-CG1 4.37Å; Y94-V151 HydrophobicContact CE1-CB 4.32Å; Y94-V151 HydrophobicContact CE1-CG1 3.58Å; Y94-V151 HydrophobicContact CE2-CG1 4.49Å; F96-V151 HydrophobicContact CE1-CG1 4.26Å; F107-V151 HydrophobicContact CE1-CG1 3.6Å; F107-V151 HydrophobicContact CZ-CG1 4Å; T108-V151 HydrophobicContact CG2-CG1 4.13Å; T108-V151 HydrophobicContact CG2-CG2 3.81Å; V111-V151 HydrophobicContact CG2-CG1 3.76Å; W112-V151 HydrophobicContact CE3-CG2 3.84Å; W112-V151 HydrophobicContact CZ3-CG2 3.91Å; F147-V151 HydrophobicContact CB-CG2 4.48Å; F147-V151 HydrophobicContact CD1-CG2 4.47Å; F147-V151 WeakPolarHBondContact O-CA 3.26Å; F147-V151 VanDerWaalsContact O-CB 3.27Å; F147-V151 WeakPolarHBondContact O-CB 3.38Å; F147-V151 WeakPolarHBondContact O-CG2 3.35Å; F147-V151 PolarHBondContact O-N 3.18Å
152P97.3Very high93Very high29 Ų2982.3 Ų82.319%0.18843%0.432CS..PPolyproline II helixtrans-65.2150.4-179.723.1-29.2000111.4H24 C26 F96 N150H24-P152 HydrophobicContact CB-CG 4.14Å; H24-P152 PolarHBondContact ND1-O 3.45Å; H24-P152 WeakPolarHBondContact O-CG 3.35Å; C26-P152 WeakPolarHBondContact SG-CG 3.37Å; F96-P152 WeakPolarHBondContact CE1-O 3.17Å; N150-P152 WeakPolarHBondContact O-CD 3.43Å
153P97.3Very high92.7Very high77 Ų7785.2 Ų85.250%0.545%0.447SS..PPolyproline II helixtrans-66.1168.2172.630.1-35.7000111.8F96 I155F96-P153 HydrophobicContact CB-CB 4.32Å; F96-P153 VanDerWaalsContact CD1-CA 3.5Å; F96-P153 HydrophobicContact CD1-CB 3.91Å; F96-P153 HydrophobicContact CD2-CB 4.48Å; F96-P153 HydrophobicContact CE1-CB 4.36Å; F96-P153 HydrophobicContact CG-CB 3.98Å; P153-I155 PolarHBondContact O-N 3.29Å
154L97.1Very high92.5Very high92 Ų9284.4 Ų84.448%0.48245%0.449SS..PPolyproline II helixtrans-56.4134.8171.5-69171.5000110.7L23 I91 S156L23-L154 HydrophobicContact CB-CD2 3.71Å; L23-L154 HydrophobicContact CD1-CD2 4.49Å; I91-L154 HydrophobicContact CD1-CD1 4.49Å; I91-L154 HydrophobicContact CD1-CG 4.44Å; L154-S156 PolarHBondContact O-N 2.82Å
155I94.7Very high92.3Very high102 Ų10285.2 Ų85.252%0.52344%0.443SS..PPolyproline II helixtrans-65.7119.8172.4-62.3171.1000108.1L23 P153 K157L23-I155 PolarHBondContact O-N 2.89Å; P153-I155 PolarHBondContact O-N 3.29Å; I155-K157 PolarHBondContact O-N 3.19Å
156S80Confident92.1Very high109 Ų10982.7 Ų82.776%0.76243%0.429SS*.PPolyproline II helixtrans-62.3120.8168.453.50000109.4L154L154-S156 PolarHBondContact O-N 2.82Å
157K57.1Low91.7Very high270 Ų27083 Ų83100%1.17443%0.434SS*.  trans-760168.1-73.5-173.1179179.10111.6I155I155-K157 PolarHBondContact O-N 3.19Å

Retrieved 157 of 157 residues in 71.3 ms (Link to these results)

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