A0A077ZAF9_TRITR Loading...

FAD/NAD(P)-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 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
1M50.7Low78.2Confident221 Ų22170.5 Ų70.5100%1.08939%0.386SS*.  0126.80-174.2172.47800106.3
2I60Low78.6Confident7 Ų764.9 Ų64.94%0.03636%0.355CS..  trans-73.7140.8174.5-59174.9000107.4V4 V9 V34 V139 V142 V185I2-V4 VanDerWaalsContact C-N 3.34Å; I2-V4 PolarHBondContact O-N 3.32Å; I2-V9 HydrophobicContact CG2-CG1 3.68Å; I2-V9 HydrophobicContact CG2-CG2 4.13Å; I2-V34 HydrophobicContact CD1-CB 3.46Å; I2-V34 VanDerWaalsContact CD1-CB 3.46Å; I2-V34 HydrophobicContact CD1-CG1 3.72Å; I2-V34 HydrophobicContact CD1-CG2 3.59Å; I2-V139 HydrophobicContact CD1-CB 4.39Å; I2-V139 HydrophobicContact CD1-CG2 3.86Å; I2-V139 HydrophobicContact CG1-CB 3.95Å; I2-V139 HydrophobicContact CG1-CG1 4.38Å; I2-V139 HydrophobicContact CG1-CG2 3.99Å; I2-V142 HydrophobicContact CG2-CG2 4.31Å; I2-V185 HydrophobicContact CD1-CG1 4.39Å
3I63Low78.2Confident113 Ų11368.1 Ų68.158%0.57936%0.358SS*.  trans-66.397.2170.5-56.2172.1000107D5I3-D5 PolarHBondContact O-N 2.95Å
4V65.7Low77.7Confident73 Ų7363.8 Ų63.844%0.44234%0.336SS..THydrogen-bonded Turntrans-70.3-17.7-179.3-70.10000112.7I2 H6I2-V4 VanDerWaalsContact C-N 3.34Å; I2-V4 PolarHBondContact O-N 3.32Å; V4-H6 PolarHBondContact O-N 3.06Å
5D73.7Confident77.1Confident153 Ų15362.9 Ų62.982%0.81833%0.334SS*.THydrogen-bonded Turntrans-84.116.2178.9-63.4-28.9000113.6I3I3-D5 PolarHBondContact O-N 2.95Å
6H87.3Confident76.9Confident50 Ų5063.3 Ų63.323%0.23133%0.333CS..SBendtrans-89.6135.5176.3-175-82.2000110.6V4 N8 V9V4-H6 PolarHBondContact O-N 3.06Å; H6-N8 PolarHBondContact ND1-N 2.76Å; H6-N8 VanDerWaalsContact ND1-N 3.13Å; H6-N8 PolarHBondContact O-N 3.35Å; H6-V9 HydrophobicContact CB-CB 4.02Å; H6-V9 HydrophobicContact CB-CG2 3.66Å; H6-V9 PolarHBondContact O-N 2.8Å; H6-V9 VanDerWaalsContact O-O 3.13Å
7P92.1Very high77.3Confident90 Ų9060.1 Ų60.158%0.58432%0.317SS*.THydrogen-bonded Turntrans-59.3-27.6-173.821.9-34.5000114.3R24P7-R24 PolarHBondContact O-NH1 3.47Å; P7-R24 PolarHBondContact O-NH2 3.02Å
8N94.8Very high77.7Confident42 Ų4256.9 Ų56.923%0.22530%0.3CS..THydrogen-bonded Turntrans-10117.2175.5-57.789.7000113.9H6 V170 F184 V185H6-N8 PolarHBondContact ND1-N 2.76Å; H6-N8 VanDerWaalsContact ND1-N 3.13Å; H6-N8 PolarHBondContact O-N 3.35Å; N8-V170 HydrophobicContact CB-CB 3.63Å; N8-V170 HydrophobicContact CB-CG1 3.69Å; N8-V170 HydrophobicContact CB-CG2 4.06Å; N8-F184 HydrophobicContact CB-CB 4.5Å; N8-F184 CarbonylContact O-C 3.34Å; N8-F184 WeakPolarHBondContact O-CA 3.47Å; N8-F184 WeakPolarHBondContact O-CB 3.36Å; N8-V185 PolarHBondContact O-N 2.73Å
9V93.9Very high78Confident6 Ų661.5 Ų61.54%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-116.3131.7171.2178.60000107.9I2 H6 V142 V185I2-V9 HydrophobicContact CG2-CG1 3.68Å; I2-V9 HydrophobicContact CG2-CG2 4.13Å; H6-V9 HydrophobicContact CB-CB 4.02Å; H6-V9 HydrophobicContact CB-CG2 3.66Å; H6-V9 PolarHBondContact O-N 2.8Å; H6-V9 VanDerWaalsContact O-O 3.13Å; V9-V142 HydrophobicContact CG2-CG1 4.23Å; V9-V142 HydrophobicContact CG2-CG2 4.25Å; V9-V185 CarbonylContact C-O 3.41Å; V9-V185 WeakPolarHBondContact CA-O 3.27Å; V9-V185 HydrophobicContact CG2-CB 4.13Å
10I91.2Very high78.5Confident3 Ų362.5 Ų62.52%0.01532%0.323CS..EExtended strand (participates in β ladder)trans-117.3128.4172.3-171.8169.3000109.6I12 E20 F21 F184 V185 V186 S187I10-I12 HydrophobicContact CG1-CG1 4.49Å; I10-E20 HydrophobicContact CD1-CB 4.01Å; I10-E20 HydrophobicContact CD1-CG 3.86Å; I10-F21 HydrophobicContact CD1-CB 3.75Å; I10-F21 HydrophobicContact CG2-CD2 4.38Å; I10-F184 HydrophobicContact CG2-CD2 3.77Å; I10-F184 HydrophobicContact CG2-CE2 3.7Å; I10-V185 PolarHBondContact N-O 3.39Å; I10-V186 HydrophobicContact CG2-CB 4.36Å; I10-V186 HydrophobicContact CG2-CG2 3.92Å; I10-V186 CarbonylContact O-C 3.47Å; I10-V186 WeakPolarHBondContact O-CA 3.11Å; I10-S187 PolarHBondContact O-N 3.08Å
11G88.3Confident79.1Confident18 Ų1859.5 Ų59.519%0.18631%0.307CS..EExtended strand (participates in β ladder)trans-96.4120.7168.800000109.9T17G11-T17 VanDerWaalsContact O-CB 3.27Å; G11-T17 WeakPolarHBondContact O-CB 3.36Å; G11-T17 WeakPolarHBondContact O-CG2 3.32Å
12I82.3Confident80.9Confident3 Ų349.2 Ų49.22%0.01526%0.258CS..  trans-94.9126.9178.7-67.4169.6000109.4I10 V18 F21 I39 I43 L112 V186I10-I12 HydrophobicContact CG1-CG1 4.49Å; I12-V18 HydrophobicContact CG2-CG2 4.02Å; I12-F21 HydrophobicContact CD1-CB 3.98Å; I12-F21 HydrophobicContact CD1-CD1 3.94Å; I12-F21 HydrophobicContact CD1-CD2 3.71Å; I12-F21 HydrophobicContact CD1-CE1 4.32Å; I12-F21 HydrophobicContact CD1-CE2 4.13Å; I12-F21 HydrophobicContact CD1-CG 3.6Å; I12-F21 HydrophobicContact CD1-CZ 4.4Å; I12-F21 HydrophobicContact CG1-CB 4.31Å; I12-F21 HydrophobicContact CG1-CG 4.44Å; I12-I39 HydrophobicContact CB-CG2 3.93Å; I12-I39 HydrophobicContact CG2-CG2 3.66Å; I12-I39 WeakPolarHBondContact O-CD1 3.5Å; I12-I43 HydrophobicContact CD1-CD1 3.3Å; I12-I43 HydrophobicContact CD1-CG1 4.37Å; I12-L112 HydrophobicContact CG2-CD1 3.52Å; I12-V186 HydrophobicContact CD1-CG1 3.64Å; I12-V186 HydrophobicContact CG1-CG1 4.26Å
13R74Confident82.3Confident106 Ų10652 Ų5240%0.428%0.283SS..  trans-154.2-29.6-174.369.3-167.7176.9-136.9-10115.3T17 V191R13-T17 HydrophobicContact CG-CG2 4.17Å; R13-T17 PolarHBondContact N-OG1 2.69Å; R13-V191 HydrophobicContact CB-CG1 4.16Å
14D70.3Confident83.7Confident8 Ų850.6 Ų50.64%0.04327%0.27CS..BIsolated β-bridgetrans-145.7172.5-170.153.829000109.9E16 T17 V18 S110 L112 K194D14-E16 VanDerWaalsContact C-N 3.28Å; D14-E16 PolarHBondContact O-N 3.09Å; D14-E16 PolarHBondContact OD1-N 3.37Å; D14-T17 PolarHBondContact N-OG1 3.29Å; D14-T17 PolarHBondContact O-N 3.18Å; D14-T17 PolarHBondContact O-OG1 2.73Å; D14-T17 WeakPolarHBondContact OD1-CB 3.47Å; D14-T17 VanDerWaalsContact OD1-CG2 3.26Å; D14-T17 WeakPolarHBondContact OD1-CG2 3.39Å; D14-T17 PolarHBondContact OD1-N 2.98Å; D14-T17 PolarHBondContact OD1-OG1 2.94Å; D14-V18 PolarHBondContact O-N 2.78Å; D14-S110 WeakPolarHBondContact CA-O 3.42Å; D14-L112 VanDerWaalsContact C-CD2 3.48Å; D14-K194 WeakPolarHBondContact OD2-CE 3.5Å; D14-K194 IonicContact OD2-NZ 2.8Å; D14-K194 PolarHBondContact OD2-NZ 3.32Å
15T69.3Low85Confident50 Ų5047.1 Ų47.131%0.30725%0.249SC..Hα-helixtrans-58.6-36.9-178.850.90000113V18 E19 G109 S110T15-V18 WeakPolarHBondContact O-CB 3.46Å; T15-V18 PolarHBondContact O-N 3.47Å; T15-E19 PolarHBondContact O-N 2.97Å; T15-G109 VanDerWaalsContact OG1-CA 3.24Å; T15-G109 WeakPolarHBondContact OG1-CA 3.39Å; T15-S110 PolarHBondContact N-O 2.69Å
16E74.8Confident85.7Confident70 Ų7045.5 Ų45.533%0.32724%0.235SC..Hα-helixtrans-66.9-42.4-179.3-58.4107.1174.200112D14 V18 E19 E20 G109 K194D14-E16 VanDerWaalsContact C-N 3.28Å; D14-E16 PolarHBondContact O-N 3.09Å; D14-E16 PolarHBondContact OD1-N 3.37Å; E16-V18 PolarHBondContact O-N 2.81Å; E16-E19 PolarHBondContact O-N 3.37Å; E16-E20 PolarHBondContact O-N 3.38Å; E16-G109 VanDerWaalsContact CD-CA 3.5Å; E16-G109 WeakPolarHBondContact OE1-CA 3.47Å; E16-G109 PolarHBondContact OE1-N 2.85Å; E16-K194 IonicContact OE2-NZ 2.87Å; E16-K194 PolarHBondContact OE2-NZ 2.77Å; E16-K194 VanDerWaalsContact OE2-NZ 3.16Å
17T83.6Confident85.7Confident8 Ų849.8 Ų49.85%0.04926%0.259CS..Hα-helixtrans-68-24.7176.450.50000112.6G11 R13 D14 F21G11-T17 VanDerWaalsContact O-CB 3.27Å; G11-T17 WeakPolarHBondContact O-CB 3.36Å; G11-T17 WeakPolarHBondContact O-CG2 3.32Å; R13-T17 HydrophobicContact CG-CG2 4.17Å; R13-T17 PolarHBondContact N-OG1 2.69Å; D14-T17 PolarHBondContact N-OG1 3.29Å; D14-T17 PolarHBondContact O-N 3.18Å; D14-T17 PolarHBondContact O-OG1 2.73Å; D14-T17 WeakPolarHBondContact OD1-CB 3.47Å; D14-T17 VanDerWaalsContact OD1-CG2 3.26Å; D14-T17 WeakPolarHBondContact OD1-CG2 3.39Å; D14-T17 PolarHBondContact OD1-N 2.98Å; D14-T17 PolarHBondContact OD1-OG1 2.94Å; T17-F21 VanDerWaalsContact O-CB 3.29Å; T17-F21 WeakPolarHBondContact O-CB 3.27Å; T17-F21 PolarHBondContact O-N 3.36Å
18V83.6Confident85.8Confident4 Ų445.8 Ų45.82%0.02423%0.233CC..Hα-helixtrans-72.8-41.8171.4165.20000112.2I12 D14 T15 E16 E20 F21 G22 L112 W116 C120I12-V18 HydrophobicContact CG2-CG2 4.02Å; D14-V18 PolarHBondContact O-N 2.78Å; T15-V18 WeakPolarHBondContact O-CB 3.46Å; T15-V18 PolarHBondContact O-N 3.47Å; E16-V18 PolarHBondContact O-N 2.81Å; V18-E20 VanDerWaalsContact C-N 3.34Å; V18-F21 WeakPolarHBondContact O-CB 3.37Å; V18-F21 PolarHBondContact O-N 3.24Å; V18-G22 PolarHBondContact O-N 3.01Å; V18-L112 HydrophobicContact CB-CD2 4.33Å; V18-L112 HydrophobicContact CG2-CD1 3.52Å; V18-L112 HydrophobicContact CG2-CD2 3.43Å; V18-L112 VanDerWaalsContact CG2-CD2 3.43Å; V18-L112 HydrophobicContact CG2-CG 4.11Å; V18-W116 HydrophobicContact CB-CE3 4.1Å; V18-W116 HydrophobicContact CB-CZ3 4.33Å; V18-W116 HydrophobicContact CG1-CE3 3.55Å; V18-W116 HydrophobicContact CG1-CZ3 3.84Å; V18-W116 HydrophobicContact CG2-CD2 4.09Å; V18-W116 HydrophobicContact CG2-CE3 3.35Å; V18-W116 HydrophobicContact CG2-CZ3 3.61Å; V18-C120 HydrophobicContact CG1-CB 3.97Å
19E83.6Confident85.8Confident143 Ų14346.7 Ų46.767%0.66823%0.233SC*.Hα-helixtrans-61.7-43.9174.6-71.1178.3-177.400111.3T15 E16 F21 G22 A23T15-E19 PolarHBondContact O-N 2.97Å; E16-E19 PolarHBondContact O-N 3.37Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.01Å; E19-G22 PolarHBondContact O-N 2.95Å; E19-A23 WeakPolarHBondContact O-CB 3.38Å; E19-A23 PolarHBondContact O-N 3.21Å
20E87.3Confident85.9Confident81 Ų8146.8 Ų46.838%0.37923%0.233SC..Hα-helixtrans-61.1-42.2173.9-175-179.4177.900111.6I10 E16 V18 A23 R24I10-E20 HydrophobicContact CD1-CB 4.01Å; I10-E20 HydrophobicContact CD1-CG 3.86Å; E16-E20 PolarHBondContact O-N 3.38Å; V18-E20 VanDerWaalsContact C-N 3.34Å; E20-A23 PolarHBondContact O-N 3.23Å; E20-R24 WeakPolarHBondContact O-CG 2.96Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-CZ 3.19Å; E20-R24 IonicContact OE1-NE 3.63Å; E20-R24 PolarHBondContact OE1-NE 2.93Å; E20-R24 IonicContact OE1-NH2 2.69Å; E20-R24 PolarHBondContact OE1-NH2 3.14Å
21F90.9Very high86.2Confident0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-58.7-51.2176.9176.4-117.5000111.7I10 I12 T17 V18 E19 A23 R24 L25 I43 V47 W116 F184 V186I10-F21 HydrophobicContact CD1-CB 3.75Å; I10-F21 HydrophobicContact CG2-CD2 4.38Å; I12-F21 HydrophobicContact CD1-CB 3.98Å; I12-F21 HydrophobicContact CD1-CD1 3.94Å; I12-F21 HydrophobicContact CD1-CD2 3.71Å; I12-F21 HydrophobicContact CD1-CE1 4.32Å; I12-F21 HydrophobicContact CD1-CE2 4.13Å; I12-F21 HydrophobicContact CD1-CG 3.6Å; I12-F21 HydrophobicContact CD1-CZ 4.4Å; I12-F21 HydrophobicContact CG1-CB 4.31Å; I12-F21 HydrophobicContact CG1-CG 4.44Å; T17-F21 VanDerWaalsContact O-CB 3.29Å; T17-F21 WeakPolarHBondContact O-CB 3.27Å; T17-F21 PolarHBondContact O-N 3.36Å; V18-F21 WeakPolarHBondContact O-CB 3.37Å; V18-F21 PolarHBondContact O-N 3.24Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.01Å; F21-A23 PolarHBondContact O-N 3.05Å; F21-R24 PolarHBondContact O-N 3.44Å; F21-L25 HydrophobicContact CD1-CD1 3.97Å; F21-L25 HydrophobicContact CD2-CG 4.37Å; F21-L25 HydrophobicContact CE1-CD1 3.47Å; F21-L25 VanDerWaalsContact CE1-CD1 3.47Å; F21-L25 HydrophobicContact CE1-CG 4.24Å; F21-L25 HydrophobicContact CE2-CD1 4.14Å; F21-L25 HydrophobicContact CE2-CD2 4.06Å; F21-L25 HydrophobicContact CE2-CG 4.01Å; F21-L25 HydrophobicContact CG-CD1 4.5Å; F21-L25 HydrophobicContact CZ-CD1 3.57Å; F21-L25 HydrophobicContact CZ-CD2 4.03Å; F21-L25 HydrophobicContact CZ-CG 3.95Å; F21-L25 WeakPolarHBondContact O-CG 3.41Å; F21-L25 PolarHBondContact O-N 3.07Å; F21-I43 HydrophobicContact CE1-CG1 4.43Å; F21-I43 HydrophobicContact CZ-CG1 4.47Å; F21-I43 HydrophobicContact CZ-CG2 3.98Å; F21-V47 HydrophobicContact CE1-CG2 3.92Å; F21-V47 HydrophobicContact CZ-CG2 3.87Å; F21-W116 HydrophobicContact CD1-CZ3 4.45Å; F21-F184 AromaticContact CD2-CE2 3.92Å; F21-F184 HydrophobicContact CD2-CE2 3.92Å; F21-F184 AromaticContact CD2-CZ 3.92Å; F21-F184 HydrophobicContact CD2-CZ 3.92Å; F21-F184 AromaticContact CE2-CE2 3.85Å; F21-F184 HydrophobicContact CE2-CE2 3.85Å; F21-F184 AromaticContact CE2-CZ 3.84Å; F21-F184 HydrophobicContact CE2-CZ 3.84Å; F21-V186 HydrophobicContact CD2-CG2 4.16Å; F21-V186 HydrophobicContact CE2-CG2 3.62Å
22G90.1Very high86.6Confident5 Ų545.8 Ų45.85%0.05222%0.223CC..Hα-helixtrans-60.5-41.7176.500000113.3V18 E19 R24 L25 C120V18-G22 PolarHBondContact O-N 3.01Å; E19-G22 PolarHBondContact O-N 2.95Å; G22-R24 VanDerWaalsContact C-N 3.3Å; G22-R24 PolarHBondContact O-N 3.41Å; G22-L25 PolarHBondContact O-N 3.22Å; G22-C120 WeakPolarHBondContact CA-SG 3.2Å
23A89.6Confident87.3Confident67 Ų6745.7 Ų45.755%0.55422%0.223SC*.Hα-helixtrans-60.7-40.2176.900000112.2E19 E20 F21E19-A23 WeakPolarHBondContact O-CB 3.38Å; E19-A23 PolarHBondContact O-N 3.21Å; E20-A23 PolarHBondContact O-N 3.23Å; F21-A23 PolarHBondContact O-N 3.05Å
24R91.9Very high88.4Confident82 Ų8241 Ų4131%0.30921%0.206SC..Hα-helixtrans-72.3-32.2177.6-69.6179.2-179.3-130.57.2112.4P7 E20 F21 G22 K26 V28 F184P7-R24 PolarHBondContact O-NH1 3.47Å; P7-R24 PolarHBondContact O-NH2 3.02Å; E20-R24 WeakPolarHBondContact O-CG 2.96Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-CZ 3.19Å; E20-R24 IonicContact OE1-NE 3.63Å; E20-R24 PolarHBondContact OE1-NE 2.93Å; E20-R24 IonicContact OE1-NH2 2.69Å; E20-R24 PolarHBondContact OE1-NH2 3.14Å; F21-R24 PolarHBondContact O-N 3.44Å; G22-R24 VanDerWaalsContact C-N 3.3Å; G22-R24 PolarHBondContact O-N 3.41Å; R24-K26 VanDerWaalsContact C-N 3.33Å; R24-K26 PolarHBondContact O-N 3.14Å; R24-V28 WeakPolarHBondContact O-CG2 3.38Å; R24-F184 HydrophobicContact CB-CD1 4.17Å; R24-F184 HydrophobicContact CB-CE1 3.59Å; R24-F184 HydrophobicContact CB-CZ 4.08Å
25L92.7Very high89.4Confident0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-61.7-30.5-176.6-83.7178.3000115.1F21 G22 N27 V28 I31 V47 I122 A124 F184F21-L25 HydrophobicContact CD1-CD1 3.97Å; F21-L25 HydrophobicContact CD2-CG 4.37Å; F21-L25 HydrophobicContact CE1-CD1 3.47Å; F21-L25 VanDerWaalsContact CE1-CD1 3.47Å; F21-L25 HydrophobicContact CE1-CG 4.24Å; F21-L25 HydrophobicContact CE2-CD1 4.14Å; F21-L25 HydrophobicContact CE2-CD2 4.06Å; F21-L25 HydrophobicContact CE2-CG 4.01Å; F21-L25 HydrophobicContact CG-CD1 4.5Å; F21-L25 HydrophobicContact CZ-CD1 3.57Å; F21-L25 HydrophobicContact CZ-CD2 4.03Å; F21-L25 HydrophobicContact CZ-CG 3.95Å; F21-L25 WeakPolarHBondContact O-CG 3.41Å; F21-L25 PolarHBondContact O-N 3.07Å; G22-L25 PolarHBondContact O-N 3.22Å; L25-N27 PolarHBondContact O-N 3.41Å; L25-V28 WeakPolarHBondContact O-CB 3.42Å; L25-V28 PolarHBondContact O-N 3.33Å; L25-I31 HydrophobicContact CD2-CG2 4.45Å; L25-V47 HydrophobicContact CD1-CG1 4.09Å; L25-V47 HydrophobicContact CD1-CG2 4.36Å; L25-V47 HydrophobicContact CD2-CG1 4.03Å; L25-I122 HydrophobicContact CD1-CB 4.44Å; L25-A124 HydrophobicContact CD2-CB 4.34Å; L25-A124 WeakPolarHBondContact O-CA 3.33Å; L25-A124 WeakPolarHBondContact O-CB 3.29Å; L25-F184 HydrophobicContact CD2-CZ 4.16Å; L25-F184 HydrophobicContact CG-CZ 4.47Å
26K88.6Confident90.6Very high120 Ų12039.4 Ų39.452%0.52220%0.198SC..THydrogen-bonded Turntrans-51.5-31.9-167.8-68.5-173.9174.2-175.60116.3R24R24-K26 VanDerWaalsContact C-N 3.33Å; R24-K26 PolarHBondContact O-N 3.14Å
27N87.3Confident91.2Very high139 Ų13937.2 Ų37.274%0.74319%0.194SC*.THydrogen-bonded Turntrans-119.918-179.2-66.8-55.5000113L25L25-N27 PolarHBondContact O-N 3.41Å
28V94Very high91.3Very high6 Ų637.9 Ų37.94%0.03620%0.202CC..  trans-88.4141.3-172.7170.60000110.6R24 L25 I31 V50 A124 A125 D183 F184R24-V28 WeakPolarHBondContact O-CG2 3.38Å; L25-V28 WeakPolarHBondContact O-CB 3.42Å; L25-V28 PolarHBondContact O-N 3.33Å; V28-I31 HydrophobicContact CG1-CG2 3.46Å; V28-I31 VanDerWaalsContact CG1-CG2 3.46Å; V28-V50 HydrophobicContact CG1-CG2 3.84Å; V28-A124 HydrophobicContact CB-CB 4.38Å; V28-A124 WeakPolarHBondContact O-CB 3.34Å; V28-A125 WeakPolarHBondContact O-CB 3.19Å; V28-A125 PolarHBondContact O-N 2.65Å; V28-D183 HydrophobicContact CG1-CB 4.05Å; V28-D183 HydrophobicContact CG2-CB 4.15Å; V28-F184 HydrophobicContact CB-CE1 4.44Å; V28-F184 HydrophobicContact CG1-CE1 4.3Å; V28-F184 HydrophobicContact CG2-CD1 3.9Å; V28-F184 HydrophobicContact CG2-CE1 3.47Å; V28-F184 VanDerWaalsContact CG2-CE1 3.47Å
29R94.2Very high91.4Very high61 Ų6139.2 Ų39.223%0.2321%0.209CC..SBendtrans-109.3-40.8180-58.4162.8-641695.8109.5V50 E51 L126 W168 D183R29-V50 WeakPolarHBondContact O-CG2 3.47Å; R29-E51 WeakPolarHBondContact O-CB 3.21Å; R29-E51 PolarHBondContact O-N 2.77Å; R29-L126 HydrophobicContact CB-CD2 3.91Å; R29-L126 HydrophobicContact CB-CG 4.42Å; R29-L126 HydrophobicContact CG-CD2 3.91Å; R29-L126 VanDerWaalsContact O-CD1 3.27Å; R29-L126 WeakPolarHBondContact O-CD1 3.41Å; R29-W168 HydrophobicContact CB-CH2 4.37Å; R29-W168 HydrophobicContact CB-CZ3 4.32Å; R29-D183 WeakPolarHBondContact CA-OD2 3.33Å; R29-D183 WeakPolarHBondContact CB-OD2 3.15Å; R29-D183 IonicContact CZ-OD1 3.55Å; R29-D183 PolarHBondContact N-OD2 3.24Å; R29-D183 IonicContact NE-OD1 3.86Å; R29-D183 PolarHBondContact NE-OD1 2.9Å; R29-D183 IonicContact NE-OD2 3.75Å; R29-D183 IonicContact NH2-OD1 2.77Å; R29-D183 PolarHBondContact NH2-OD1 3.39Å
30R96.2Very high91.8Very high9 Ų932.4 Ų32.43%0.03418%0.177CC..EExtended strand (participates in β ladder)trans-140133.2179.8-174.3-172.3-69.4167.93.2111.8E51 I53 L158 I163 W168 G181 C182 D183R30-E51 CarbonylContact C-O 3.35Å; R30-E51 VanDerWaalsContact CA-O 3.24Å; R30-E51 WeakPolarHBondContact CA-O 3.41Å; R30-E51 HydrophobicContact CB-CB 3.92Å; R30-E51 HydrophobicContact CG-CB 3.85Å; R30-E51 IonicContact CZ-OE2 2.97Å; R30-E51 VanDerWaalsContact CZ-OE2 3.23Å; R30-E51 IonicContact NE-OE2 3.23Å; R30-E51 PolarHBondContact NE-OE2 3.45Å; R30-E51 IonicContact NH2-OE2 2.72Å; R30-E51 PolarHBondContact NH2-OE2 3.02Å; R30-I53 HydrophobicContact CG-CD1 4.44Å; R30-L158 VanDerWaalsContact CZ-CD1 3.43Å; R30-I163 PolarHBondContact NH2-O 3.29Å; R30-W168 HydrophobicContact CB-CH2 3.7Å; R30-W168 HydrophobicContact CB-CZ3 3.76Å; R30-G181 WeakPolarHBondContact CD-O 3.47Å; R30-G181 PolarHBondContact NH1-O 2.9Å; R30-C182 HydrophobicContact CB-CB 4.36Å; R30-C182 HydrophobicContact CG-CB 3.99Å; R30-C182 WeakPolarHBondContact O-CB 3.2Å; R30-D183 PolarHBondContact N-OD2 2.84Å; R30-D183 PolarHBondContact O-N 2.7Å
31I97.1Very high91.9Very high0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-117152.116760.6177.1000110.5L25 V28 V33 I43 V50 E51 I52 I53 F184 V186L25-I31 HydrophobicContact CD2-CG2 4.45Å; V28-I31 HydrophobicContact CG1-CG2 3.46Å; V28-I31 VanDerWaalsContact CG1-CG2 3.46Å; I31-V33 HydrophobicContact CD1-CG2 3.77Å; I31-V33 HydrophobicContact CG1-CG2 4.19Å; I31-I43 HydrophobicContact CD1-CG2 4.27Å; I31-V50 HydrophobicContact CG1-CG2 4.49Å; I31-E51 PolarHBondContact N-O 2.9Å; I31-I52 HydrophobicContact CD1-CD1 4.44Å; I31-I52 HydrophobicContact CD1-CG1 4.21Å; I31-I52 HydrophobicContact CG1-CB 4.44Å; I31-I52 HydrophobicContact CG1-CG1 4.03Å; I31-I52 HydrophobicContact CG1-CG2 4.3Å; I31-I53 PolarHBondContact O-N 3.27Å; I31-F184 WeakPolarHBondContact CA-O 3.45Å; I31-F184 HydrophobicContact CG2-CD1 4.38Å; I31-F184 HydrophobicContact CG2-CD2 4.26Å; I31-F184 HydrophobicContact CG2-CE1 4.03Å; I31-F184 HydrophobicContact CG2-CE2 3.84Å; I31-F184 HydrophobicContact CG2-CZ 3.71Å; I31-V186 HydrophobicContact CD1-CG2 4.48Å
32V97.5Very high91.8Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-103.2123.2160.3178.20000107.9V34 I53 A55 I172 V180 C182 F184 V185 V186V32-V34 HydrophobicContact CG1-CG2 3.81Å; V32-I53 CarbonylContact C-O 3.55Å; V32-I53 VanDerWaalsContact CA-O 3.29Å; V32-I53 WeakPolarHBondContact CA-O 3.36Å; V32-I53 WeakPolarHBondContact CG1-O 3.45Å; V32-I53 HydrophobicContact CG2-CB 4.1Å; V32-I53 HydrophobicContact CG2-CD1 4.42Å; V32-A55 HydrophobicContact CG1-CB 4.29Å; V32-I172 HydrophobicContact CB-CD1 3.72Å; V32-I172 HydrophobicContact CG1-CD1 3.18Å; V32-I172 HydrophobicContact CG2-CD1 3.55Å; V32-I172 HydrophobicContact CG2-CG1 4.2Å; V32-V180 HydrophobicContact CG2-CG2 3.82Å; V32-C182 HydrophobicContact CG2-CB 3.84Å; V32-C182 VanDerWaalsContact CG2-SG 3.54Å; V32-F184 PolarHBondContact N-O 3.07Å; V32-V185 HydrophobicContact CB-CG1 4.42Å; V32-V185 HydrophobicContact CB-CG2 4.49Å; V32-V185 CarbonylContact O-C 3.53Å; V32-V185 WeakPolarHBondContact O-CA 3.45Å; V32-V186 PolarHBondContact O-N 3.07Å
33V97.2Very high91.9Very high0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-99.2122.8170.7-179.50000108.5I31 A40 I43 V44 I52 I53 W54 A55 V186I31-V33 HydrophobicContact CD1-CG2 3.77Å; I31-V33 HydrophobicContact CG1-CG2 4.19Å; V33-A40 HydrophobicContact CG1-CB 3.87Å; V33-I43 HydrophobicContact CG2-CG2 3.66Å; V33-V44 HydrophobicContact CB-CG2 4.21Å; V33-V44 HydrophobicContact CG1-CG2 4.19Å; V33-V44 HydrophobicContact CG2-CG2 4.33Å; V33-I52 HydrophobicContact CB-CG2 4.28Å; V33-I52 HydrophobicContact CG2-CG2 3.77Å; V33-I53 PolarHBondContact N-O 2.85Å; V33-W54 CarbonylContact O-C 3.43Å; V33-W54 WeakPolarHBondContact O-CA 3.46Å; V33-A55 PolarHBondContact O-N 3.01Å; V33-V186 HydrophobicContact CG2-CB 4.24Å; V33-V186 HydrophobicContact CG2-CG2 4.42Å
34V95.9Very high92.1Very high8 Ų830.1 Ų30.15%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-113.6121.4178.7-168.40000109.8I2 V32 A55 V139 V185 V186 A188 T189I2-V34 HydrophobicContact CD1-CB 3.46Å; I2-V34 VanDerWaalsContact CD1-CB 3.46Å; I2-V34 HydrophobicContact CD1-CG1 3.72Å; I2-V34 HydrophobicContact CD1-CG2 3.59Å; V32-V34 HydrophobicContact CG1-CG2 3.81Å; V34-A55 HydrophobicContact CG1-CB 4.36Å; V34-A55 HydrophobicContact CG2-CB 4.21Å; V34-V139 HydrophobicContact CB-CG2 4.45Å; V34-V139 HydrophobicContact CG1-CG2 4.06Å; V34-V139 HydrophobicContact CG2-CG2 3.67Å; V34-V185 HydrophobicContact CG2-CG1 3.82Å; V34-V186 PolarHBondContact N-O 3.21Å; V34-A188 CarbonylContact O-C 3.57Å; V34-A188 VanDerWaalsContact O-CA 3.28Å; V34-A188 WeakPolarHBondContact O-CA 3.26Å; V34-A188 PolarHBondContact O-N 3.12Å; V34-T189 HydrophobicContact CB-CG2 4.34Å; V34-T189 HydrophobicContact CG1-CG2 3.82Å; V34-T189 WeakPolarHBondContact O-CG2 3.45Å; V34-T189 PolarHBondContact O-N 2.89Å
35G93Very high92Very high9 Ų927.6 Ų27.69%0.09316%0.156CC..  trans136.3163.4-176.400000111.2A40 W54 A55G35-A40 WeakPolarHBondContact O-CB 3.43Å; G35-W54 PolarHBondContact O-NE1 2.75Å; G35-A55 PolarHBondContact N-O 3.16Å
36N92.9Very high91.8Very high15 Ų1530.6 Ų30.68%0.0817%0.17CC..SBendtrans-134.812.7-177.2-156.330.4000112.7V56 H58 S60 I61 S62 A63N36-V56 HydrophobicContact CB-CB 4.48Å; N36-V56 HydrophobicContact CB-CG1 4.3Å; N36-H58 PolarHBondContact ND2-ND1 2.91Å; N36-S60 PolarHBondContact ND2-O 3.32Å; N36-I61 WeakPolarHBondContact OD1-CA 3.43Å; N36-S62 PolarHBondContact OD1-N 3.48Å; N36-A63 WeakPolarHBondContact ND2-CB 3.49Å; N36-A63 PolarHBondContact ND2-N 3.3Å
37G88Confident91.9Very high25 Ų2524.9 Ų24.926%0.25815%0.145SC..SBendtrans-96.5-171.7179.500000112I39 A40 T41G37-I39 PolarHBondContact O-N 3.27Å; G37-A40 PolarHBondContact O-N 3.41Å; G37-A40 VanDerWaalsContact O-N 3.07Å; G37-T41 PolarHBondContact O-N 2.82Å; G37-T41 PolarHBondContact O-OG1 3.26Å
38G84.8Confident92.1Very high21 Ų2119.5 Ų19.522%0.21612%0.119CC..Hα-helixtrans-55.8-50.9-168.200000112.9A40 T41 E42 F65G38-A40 VanDerWaalsContact C-N 3.31Å; G38-A40 PolarHBondContact O-N 3.04Å; G38-T41 PolarHBondContact O-N 3.04Å; G38-T41 VanDerWaalsContact O-N 3.16Å; G38-E42 WeakPolarHBondContact O-CB 3.41Å; G38-E42 VanDerWaalsContact O-CG 3.29Å; G38-E42 WeakPolarHBondContact O-CG 3.38Å; G38-E42 PolarHBondContact O-N 3.39Å; G38-F65 VanDerWaalsContact N-CE2 3.31Å
39I86Confident92Very high32 Ų3221.6 Ų21.616%0.16413%0.13CC..Hα-helixtrans-55.9-45.1178.5-61.5174.5000111.6I12 G37 I43 A188 V191I12-I39 HydrophobicContact CB-CG2 3.93Å; I12-I39 HydrophobicContact CG2-CG2 3.66Å; I12-I39 WeakPolarHBondContact O-CD1 3.5Å; G37-I39 PolarHBondContact O-N 3.27Å; I39-I43 HydrophobicContact CG2-CD1 3.67Å; I39-I43 HydrophobicContact CG2-CG1 4.47Å; I39-I43 WeakPolarHBondContact O-CB 3.37Å; I39-I43 WeakPolarHBondContact O-CD1 3.5Å; I39-I43 WeakPolarHBondContact O-CG1 3.44Å; I39-I43 PolarHBondContact O-N 2.87Å; I39-A188 HydrophobicContact CB-CB 4.27Å; I39-A188 HydrophobicContact CG2-CB 3.9Å; I39-V191 HydrophobicContact CD1-CG1 3.88Å
40A91.9Very high92.1Very high0 Ų018.7 Ų18.70%012%0.119CC..Hα-helixtrans-65.9-46.5179.700000111.2V33 G35 G37 G38 E42 I43 V44 W54 A188V33-A40 HydrophobicContact CG1-CB 3.87Å; G35-A40 WeakPolarHBondContact O-CB 3.43Å; G37-A40 PolarHBondContact O-N 3.41Å; G37-A40 VanDerWaalsContact O-N 3.07Å; G38-A40 VanDerWaalsContact C-N 3.31Å; G38-A40 PolarHBondContact O-N 3.04Å; A40-E42 PolarHBondContact O-N 2.72Å; A40-I43 PolarHBondContact O-N 3.06Å; A40-V44 WeakPolarHBondContact O-CB 3.27Å; A40-V44 WeakPolarHBondContact O-CG2 3.43Å; A40-V44 PolarHBondContact O-N 3.13Å; A40-W54 HydrophobicContact CB-CZ2 4.5Å; A40-A188 HydrophobicContact CB-CB 3.76Å
41T91.1Very high92.1Very high39 Ų3918.5 Ų18.524%0.23912%0.118CC..Hα-helixtrans-60.9-43.6178.9-63.10000111.9G37 G38 G45 S62G37-T41 PolarHBondContact O-N 2.82Å; G37-T41 PolarHBondContact O-OG1 3.26Å; G38-T41 PolarHBondContact O-N 3.04Å; G38-T41 VanDerWaalsContact O-N 3.16Å; T41-G45 PolarHBondContact O-N 3.37Å; T41-S62 WeakPolarHBondContact CG2-OG 3.28Å; T41-S62 PolarHBondContact OG1-OG 3.04Å
42E88.3Confident92.1Very high66 Ų6618.5 Ų18.531%0.30812%0.118SC..Hα-helixtrans-67.5-46.4178.8-72.6165.6-173.100111.4G38 A40 V44 G45 E46 W116 I117G38-E42 WeakPolarHBondContact O-CB 3.41Å; G38-E42 VanDerWaalsContact O-CG 3.29Å; G38-E42 WeakPolarHBondContact O-CG 3.38Å; G38-E42 PolarHBondContact O-N 3.39Å; A40-E42 PolarHBondContact O-N 2.72Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 3.34Å; E42-G45 PolarHBondContact O-N 2.97Å; E42-E46 VanDerWaalsContact O-CB 3.27Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 VanDerWaalsContact O-CG 3.32Å; E42-E46 WeakPolarHBondContact O-CG 3.39Å; E42-E46 PolarHBondContact O-N 2.8Å; E42-W116 HydrophobicContact CB-CZ2 4.42Å; E42-W116 PolarHBondContact OE2-NE1 3.47Å; E42-I117 HydrophobicContact CB-CD1 3.91Å
43I91.8Very high92.1Very high0 Ų018.5 Ų18.50%012%0.118CC..Hα-helixtrans-57.9-48.4175.2-72.5168.7000110.7I12 F21 I31 V33 I39 A40 G45 V47 W116 V186I12-I43 HydrophobicContact CD1-CD1 3.3Å; I12-I43 HydrophobicContact CD1-CG1 4.37Å; F21-I43 HydrophobicContact CE1-CG1 4.43Å; F21-I43 HydrophobicContact CZ-CG1 4.47Å; F21-I43 HydrophobicContact CZ-CG2 3.98Å; I31-I43 HydrophobicContact CD1-CG2 4.27Å; V33-I43 HydrophobicContact CG2-CG2 3.66Å; I39-I43 HydrophobicContact CG2-CD1 3.67Å; I39-I43 HydrophobicContact CG2-CG1 4.47Å; I39-I43 WeakPolarHBondContact O-CB 3.37Å; I39-I43 WeakPolarHBondContact O-CD1 3.5Å; I39-I43 WeakPolarHBondContact O-CG1 3.44Å; I39-I43 PolarHBondContact O-N 2.87Å; A40-I43 PolarHBondContact O-N 3.06Å; I43-G45 VanDerWaalsContact C-N 3.33Å; I43-G45 PolarHBondContact O-N 3.05Å; I43-V47 HydrophobicContact CG2-CG2 3.95Å; I43-V47 VanDerWaalsContact O-CB 3.27Å; I43-V47 WeakPolarHBondContact O-CB 3.45Å; I43-V47 WeakPolarHBondContact O-CG2 3.01Å; I43-V47 PolarHBondContact O-N 2.76Å; I43-W116 HydrophobicContact CD1-CH2 4.28Å; I43-W116 HydrophobicContact CG1-CH2 3.68Å; I43-W116 HydrophobicContact CG1-CZ2 3.88Å; I43-V186 HydrophobicContact CD1-CG1 3.76Å
44V93.8Very high92.2Very high1 Ų118.6 Ų18.61%0.00612%0.118CC..Hα-helixtrans-60.6-48.2178.7171.60000109.4V33 A40 E42 I52 W54 L78 R129 V131V33-V44 HydrophobicContact CB-CG2 4.21Å; V33-V44 HydrophobicContact CG1-CG2 4.19Å; V33-V44 HydrophobicContact CG2-CG2 4.33Å; A40-V44 WeakPolarHBondContact O-CB 3.27Å; A40-V44 WeakPolarHBondContact O-CG2 3.43Å; A40-V44 PolarHBondContact O-N 3.13Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 3.34Å; V44-I52 HydrophobicContact CG2-CG2 4.04Å; V44-W54 HydrophobicContact CB-CD2 4.32Å; V44-W54 HydrophobicContact CB-CE3 4.14Å; V44-W54 HydrophobicContact CB-CZ3 4.28Å; V44-W54 HydrophobicContact CG1-CD2 4.26Å; V44-W54 HydrophobicContact CG1-CE3 3.68Å; V44-W54 HydrophobicContact CG1-CZ3 3.93Å; V44-W54 HydrophobicContact CG2-CB 4.16Å; V44-W54 HydrophobicContact CG2-CD2 3.57Å; V44-W54 HydrophobicContact CG2-CE3 3.87Å; V44-W54 HydrophobicContact CG2-CG 3.71Å; V44-W54 HydrophobicContact CG2-CZ2 4.46Å; V44-W54 HydrophobicContact CG2-CZ3 4.4Å; V44-L78 HydrophobicContact CG1-CD2 4Å; V44-R129 PolarHBondContact O-NE 3.17Å; V44-R129 PolarHBondContact O-NH2 2.71Å; V44-V131 HydrophobicContact CG1-CG1 3.93Å; V44-V131 HydrophobicContact CG1-CG2 4.35Å
45G89.7Confident92.2Very high29 Ų2918.3 Ų18.330%0.29912%0.117SC..Hα-helixtrans-68.7-31.3-174.400000115.1T41 E42 I43T41-G45 PolarHBondContact O-N 3.37Å; E42-G45 PolarHBondContact O-N 2.97Å; I43-G45 VanDerWaalsContact C-N 3.33Å; I43-G45 PolarHBondContact O-N 3.05Å
46E87.9Confident92.4Very high62 Ų6217.9 Ų17.929%0.2911%0.112SC..Hα-helixtrans-108.3-37-167.9-62-70163.500113.3E42 S48 K88 I117 I122E42-E46 VanDerWaalsContact O-CB 3.27Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 VanDerWaalsContact O-CG 3.32Å; E42-E46 WeakPolarHBondContact O-CG 3.39Å; E42-E46 PolarHBondContact O-N 2.8Å; E46-S48 PolarHBondContact O-N 3Å; E46-S48 VanDerWaalsContact O-N 3.16Å; E46-K88 IonicContact OE1-NZ 3.16Å; E46-K88 PolarHBondContact OE1-NZ 3.12Å; E46-K88 IonicContact OE2-NZ 2.76Å; E46-K88 PolarHBondContact OE2-NZ 3.1Å; E46-I117 HydrophobicContact CB-CD1 3.69Å; E46-I117 HydrophobicContact CB-CG2 4.16Å; E46-I117 HydrophobicContact CG-CD1 3.64Å; E46-I122 HydrophobicContact CB-CD1 3.67Å; E46-I122 WeakPolarHBondContact O-CD1 3.33Å
47V91.2Very high92.4Very high0 Ų024.7 Ų24.70%014%0.141CC..  trans-63.8121.1-177.1178.30000109.8F21 L25 I43 V50 I52 I122 R129F21-V47 HydrophobicContact CE1-CG2 3.92Å; F21-V47 HydrophobicContact CZ-CG2 3.87Å; L25-V47 HydrophobicContact CD1-CG1 4.09Å; L25-V47 HydrophobicContact CD1-CG2 4.36Å; L25-V47 HydrophobicContact CD2-CG1 4.03Å; I43-V47 HydrophobicContact CG2-CG2 3.95Å; I43-V47 VanDerWaalsContact O-CB 3.27Å; I43-V47 WeakPolarHBondContact O-CB 3.45Å; I43-V47 WeakPolarHBondContact O-CG2 3.01Å; I43-V47 PolarHBondContact O-N 2.76Å; V47-V50 HydrophobicContact CG1-CG1 3.66Å; V47-I52 HydrophobicContact CB-CD1 4.44Å; V47-I122 WeakPolarHBondContact CA-O 3.26Å; V47-I122 WeakPolarHBondContact CG1-O 3.38Å; V47-I122 HydrophobicContact CG2-CB 4.3Å; V47-R129 WeakPolarHBondContact O-CD 3.34Å; V47-R129 PolarHBondContact O-NE 2.92Å
48S91.1Very high92.7Very high27 Ų2728 Ų2819%0.18915%0.15CC..BIsolated β-bridgetrans-101.8166.4-174.467.70000111.6E46 V50 I122 T123 A124E46-S48 PolarHBondContact O-N 3Å; E46-S48 VanDerWaalsContact O-N 3.16Å; S48-V50 VanDerWaalsContact C-N 3.29Å; S48-V50 PolarHBondContact O-N 2.85Å; S48-I122 PolarHBondContact N-O 2.99Å; S48-I122 VanDerWaalsContact N-O 3.14Å; S48-T123 WeakPolarHBondContact OG-CA 3.41Å; S48-T123 WeakPolarHBondContact OG-CG2 3.47Å; S48-T123 PolarHBondContact OG-OG1 2.6Å; S48-T123 VanDerWaalsContact OG-OG1 3.14Å; S48-A124 PolarHBondContact O-N 3.14Å
49N93.4Very high93.2Very high50 Ų5033.5 Ų33.527%0.26717%0.17SC..SBendtrans6036.1167.8-68.454.2000113.9T123 A124 A125 L126N49-T123 HydrophobicContact CB-CG2 3.79Å; N49-A124 WeakPolarHBondContact CB-O 3.21Å; N49-A124 CarbonylContact O-C 3.58Å; N49-A124 WeakPolarHBondContact O-CB 3.47Å; N49-A125 PolarHBondContact O-N 3.22Å; N49-L126 WeakPolarHBondContact CB-O 3.48Å; N49-L126 VanDerWaalsContact CG-O 3.3Å; N49-L126 PolarHBondContact ND2-O 3.25Å; N49-L126 WeakPolarHBondContact O-CA 3.27Å; N49-L126 WeakPolarHBondContact O-CB 3.44Å; N49-L126 PolarHBondContact O-N 3.29Å
50V95.4Very high93.6Very high0 Ų032.7 Ų32.70%017%0.167CC..SBendtrans-147.7154.7-177.277.20000111.6V28 R29 I31 V47 S48 I52 A124 R129 Q130V28-V50 HydrophobicContact CG1-CG2 3.84Å; R29-V50 WeakPolarHBondContact O-CG2 3.47Å; I31-V50 HydrophobicContact CG1-CG2 4.49Å; V47-V50 HydrophobicContact CG1-CG1 3.66Å; S48-V50 VanDerWaalsContact C-N 3.29Å; S48-V50 PolarHBondContact O-N 2.85Å; V50-I52 HydrophobicContact CG1-CD1 3.89Å; V50-I52 HydrophobicContact CG1-CG1 3.51Å; V50-A124 HydrophobicContact CB-CB 3.66Å; V50-A124 HydrophobicContact CG2-CB 3.86Å; V50-R129 VanDerWaalsContact O-CA 3.31Å; V50-R129 WeakPolarHBondContact O-CA 3.4Å; V50-Q130 PolarHBondContact O-N 3.26Å
51E96.1Very high93.8Very high4 Ų432.9 Ų32.92%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-81.9129.5161.3-74.2172.1-169.200110.6R29 R30 I31 L126 Q130 F162 I163R29-E51 WeakPolarHBondContact O-CB 3.21Å; R29-E51 PolarHBondContact O-N 2.77Å; R30-E51 CarbonylContact C-O 3.35Å; R30-E51 VanDerWaalsContact CA-O 3.24Å; R30-E51 WeakPolarHBondContact CA-O 3.41Å; R30-E51 HydrophobicContact CB-CB 3.92Å; R30-E51 HydrophobicContact CG-CB 3.85Å; R30-E51 IonicContact CZ-OE2 2.97Å; R30-E51 VanDerWaalsContact CZ-OE2 3.23Å; R30-E51 IonicContact NE-OE2 3.23Å; R30-E51 PolarHBondContact NE-OE2 3.45Å; R30-E51 IonicContact NH2-OE2 2.72Å; R30-E51 PolarHBondContact NH2-OE2 3.02Å; I31-E51 PolarHBondContact N-O 2.9Å; E51-L126 HydrophobicContact CG-CD1 3.9Å; E51-Q130 CarbonylContact C-O 3.54Å; E51-Q130 VanDerWaalsContact CA-O 3.28Å; E51-Q130 WeakPolarHBondContact CA-O 3.48Å; E51-Q130 HydrophobicContact CG-CB 4.36Å; E51-F162 HydrophobicContact CB-CD1 3.96Å; E51-F162 HydrophobicContact CB-CE1 3.71Å; E51-F162 HydrophobicContact CB-CZ 4.48Å; E51-F162 HydrophobicContact CG-CD1 3.78Å; E51-F162 HydrophobicContact CG-CE1 3.91Å; E51-F162 HydrophobicContact CG-CG 4.34Å; E51-F162 WeakPolarHBondContact OE1-CA 3.47Å; E51-F162 VanDerWaalsContact OE2-CD1 3.3Å; E51-F162 WeakPolarHBondContact OE2-CD1 3.49Å; E51-I163 WeakPolarHBondContact OE1-CB 3.45Å; E51-I163 WeakPolarHBondContact OE1-CG1 3.48Å; E51-I163 PolarHBondContact OE1-N 3.07Å
52I97.6Very high93.7Very high0 Ų031.6 Ų31.60%016%0.16CC..EExtended strand (participates in β ladder)trans-119.2122176.7-51.3-176.1000108.5I31 V33 V44 V47 V50 Q130 V131 H132I31-I52 HydrophobicContact CD1-CD1 4.44Å; I31-I52 HydrophobicContact CD1-CG1 4.21Å; I31-I52 HydrophobicContact CG1-CB 4.44Å; I31-I52 HydrophobicContact CG1-CG1 4.03Å; I31-I52 HydrophobicContact CG1-CG2 4.3Å; V33-I52 HydrophobicContact CB-CG2 4.28Å; V33-I52 HydrophobicContact CG2-CG2 3.77Å; V44-I52 HydrophobicContact CG2-CG2 4.04Å; V47-I52 HydrophobicContact CB-CD1 4.44Å; V50-I52 HydrophobicContact CG1-CD1 3.89Å; V50-I52 HydrophobicContact CG1-CG1 3.51Å; I52-Q130 PolarHBondContact N-O 3.21Å; I52-V131 HydrophobicContact CB-CG1 4.39Å; I52-V131 HydrophobicContact CB-CG2 4.12Å; I52-V131 HydrophobicContact CD1-CG2 4.31Å; I52-V131 HydrophobicContact CG1-CG2 4.41Å; I52-V131 CarbonylContact O-C 3.6Å; I52-V131 WeakPolarHBondContact O-CA 3.4Å; I52-H132 PolarHBondContact O-N 2.69Å
53I97.5Very high93.7Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-98.1109.5163.2-59.1171.1000107.1R30 I31 V32 V33 H132 L158 F162 V180R30-I53 HydrophobicContact CG-CD1 4.44Å; I31-I53 PolarHBondContact O-N 3.27Å; V32-I53 CarbonylContact C-O 3.55Å; V32-I53 VanDerWaalsContact CA-O 3.29Å; V32-I53 WeakPolarHBondContact CA-O 3.36Å; V32-I53 WeakPolarHBondContact CG1-O 3.45Å; V32-I53 HydrophobicContact CG2-CB 4.1Å; V32-I53 HydrophobicContact CG2-CD1 4.42Å; V33-I53 PolarHBondContact N-O 2.85Å; I53-H132 CarbonylContact C-O 3.39Å; I53-H132 WeakPolarHBondContact CA-O 3.32Å; I53-L158 HydrophobicContact CD1-CD1 3.71Å; I53-L158 HydrophobicContact CD1-CD2 3.81Å; I53-L158 HydrophobicContact CD1-CG 4.42Å; I53-L158 HydrophobicContact CG1-CD2 4.26Å; I53-F162 HydrophobicContact CG1-CE1 4.03Å; I53-V180 HydrophobicContact CD1-CB 3.7Å; I53-V180 HydrophobicContact CD1-CG1 3.98Å; I53-V180 HydrophobicContact CD1-CG2 3.95Å; I53-V180 HydrophobicContact CG2-CG2 4.37Å
54W97.9Very high93.3Very high3 Ų333.9 Ų33.91%0.01119%0.19CC..EExtended strand (participates in β ladder)trans-93.8100.6-179.5-1699.5000110.3V33 G35 A40 V44 V56 I61 H132 I133 E134V33-W54 CarbonylContact O-C 3.43Å; V33-W54 WeakPolarHBondContact O-CA 3.46Å; G35-W54 PolarHBondContact O-NE1 2.75Å; A40-W54 HydrophobicContact CB-CZ2 4.5Å; V44-W54 HydrophobicContact CB-CD2 4.32Å; V44-W54 HydrophobicContact CB-CE3 4.14Å; V44-W54 HydrophobicContact CB-CZ3 4.28Å; V44-W54 HydrophobicContact CG1-CD2 4.26Å; V44-W54 HydrophobicContact CG1-CE3 3.68Å; V44-W54 HydrophobicContact CG1-CZ3 3.93Å; V44-W54 HydrophobicContact CG2-CB 4.16Å; V44-W54 HydrophobicContact CG2-CD2 3.57Å; V44-W54 HydrophobicContact CG2-CE3 3.87Å; V44-W54 HydrophobicContact CG2-CG 3.71Å; V44-W54 HydrophobicContact CG2-CZ2 4.46Å; V44-W54 HydrophobicContact CG2-CZ3 4.4Å; W54-V56 HydrophobicContact CD2-CG1 3.99Å; W54-V56 HydrophobicContact CG-CG1 3.95Å; W54-V56 HydrophobicContact CZ2-CG1 4.37Å; W54-I61 HydrophobicContact CD2-CG2 4.31Å; W54-I61 HydrophobicContact CE3-CB 4.28Å; W54-I61 HydrophobicContact CE3-CG2 3.67Å; W54-I61 HydrophobicContact CH2-CB 3.59Å; W54-I61 HydrophobicContact CH2-CD1 4.31Å; W54-I61 HydrophobicContact CH2-CG2 3.91Å; W54-I61 HydrophobicContact CZ2-CB 4.33Å; W54-I61 HydrophobicContact CZ2-CG2 4.48Å; W54-I61 HydrophobicContact CZ3-CB 3.55Å; W54-I61 HydrophobicContact CZ3-CD1 3.79Å; W54-I61 HydrophobicContact CZ3-CG1 4.29Å; W54-I61 HydrophobicContact CZ3-CG2 3.46Å; W54-I61 VanDerWaalsContact CZ3-CG2 3.46Å; W54-H132 PolarHBondContact N-O 2.89Å; W54-I133 HydrophobicContact CB-CG1 4.35Å; W54-I133 HydrophobicContact CB-CG2 4.48Å; W54-I133 HydrophobicContact CE3-CD1 4.49Å; W54-I133 HydrophobicContact CE3-CG1 4.2Å; W54-I133 WeakPolarHBondContact O-CA 3.24Å; W54-I133 WeakPolarHBondContact O-CG2 3.3Å; W54-E134 PolarHBondContact O-N 2.7Å
55A97.6Very high92.8Very high1 Ų140.4 Ų40.41%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-86.4111.8178.400000110.6V32 V33 V34 G35 L174V32-A55 HydrophobicContact CG1-CB 4.29Å; V33-A55 PolarHBondContact O-N 3.01Å; V34-A55 HydrophobicContact CG1-CB 4.36Å; V34-A55 HydrophobicContact CG2-CB 4.21Å; G35-A55 PolarHBondContact N-O 3.16Å; A55-L174 HydrophobicContact CB-CD2 4.18Å
56V95.9Very high92.7Very high0 Ų041 Ų410%022%0.217CC..  trans-119134.4-177.9-58.60000111.7N36 W54 H58 I133 E134 Y135 K136 C137N36-V56 HydrophobicContact CB-CB 4.48Å; N36-V56 HydrophobicContact CB-CG1 4.3Å; W54-V56 HydrophobicContact CD2-CG1 3.99Å; W54-V56 HydrophobicContact CG-CG1 3.95Å; W54-V56 HydrophobicContact CZ2-CG1 4.37Å; V56-H58 PolarHBondContact O-N 3.18Å; V56-I133 HydrophobicContact CG2-CG2 3.95Å; V56-E134 PolarHBondContact N-O 3.38Å; V56-Y135 HydrophobicContact CG2-CD1 3.41Å; V56-Y135 VanDerWaalsContact CG2-CD1 3.41Å; V56-Y135 HydrophobicContact CG2-CE1 4Å; V56-Y135 HydrophobicContact CG2-CG 4.05Å; V56-Y135 CarbonylContact O-C 3.53Å; V56-K136 PolarHBondContact O-N 3.23Å; V56-C137 CarbonylContact C-O 3.55Å; V56-C137 PolarHBondContact O-N 3.07Å
57K94Very high92.9Very high159 Ų15943.2 Ų43.269%0.69123%0.231SC*.SBendtrans-69.2-18.1176.3-167.2179.4178.6-173.80113.3C137K57-C137 WeakPolarHBondContact CA-O 3.36Å; K57-C137 PolarHBondContact N-O 3.05Å
58H93.7Very high92.9Very high95 Ų9545.7 Ų45.744%0.4425%0.251SS..SBendtrans-101.7174.2-170-55.284.3000111.2N36 V56 A63 K136N36-H58 PolarHBondContact ND2-ND1 2.91Å; V56-H58 PolarHBondContact O-N 3.18Å; H58-A63 HydrophobicContact CB-CB 4.41Å; H58-K136 PolarHBondContact O-N 2.73Å; H58-K136 VanDerWaalsContact O-N 3.12Å
59E94.5Very high92.9Very high136 Ų13647 Ų4764%0.63627%0.268SS*.SBendtrans-86.6-10.2174.865.8-172.1179.800114K136E59-K136 VanDerWaalsContact CB-CE 3.48Å; E59-K136 IonicContact OE2-NZ 3.02Å
60S95.3Very high92.8Very high15 Ų1546.2 Ų46.211%0.10527%0.269CS..SBendtrans-134.6152.5176.561.70000111N36N36-S60 PolarHBondContact ND2-O 3.32Å
61I95.5Very high92.6Very high4 Ų446.3 Ų46.32%0.02127%0.27CS..THydrogen-bonded Turntrans-76.7155.4172.859.7163.7000111.4N36 W54 A63 A71 F74 L75 L78 I133 Y135N36-I61 WeakPolarHBondContact OD1-CA 3.43Å; W54-I61 HydrophobicContact CD2-CG2 4.31Å; W54-I61 HydrophobicContact CE3-CB 4.28Å; W54-I61 HydrophobicContact CE3-CG2 3.67Å; W54-I61 HydrophobicContact CH2-CB 3.59Å; W54-I61 HydrophobicContact CH2-CD1 4.31Å; W54-I61 HydrophobicContact CH2-CG2 3.91Å; W54-I61 HydrophobicContact CZ2-CB 4.33Å; W54-I61 HydrophobicContact CZ2-CG2 4.48Å; W54-I61 HydrophobicContact CZ3-CB 3.55Å; W54-I61 HydrophobicContact CZ3-CD1 3.79Å; W54-I61 HydrophobicContact CZ3-CG1 4.29Å; W54-I61 HydrophobicContact CZ3-CG2 3.46Å; W54-I61 VanDerWaalsContact CZ3-CG2 3.46Å; I61-A63 PolarHBondContact O-N 3.28Å; I61-A63 VanDerWaalsContact O-N 3.07Å; I61-A71 HydrophobicContact CG1-CB 3.96Å; I61-A71 WeakPolarHBondContact O-CB 3.42Å; I61-F74 HydrophobicContact CD1-CB 4.47Å; I61-L75 HydrophobicContact CD1-CD2 3.59Å; I61-L75 HydrophobicContact CG1-CD2 4.03Å; I61-L78 HydrophobicContact CD1-CD1 4.28Å; I61-I133 HydrophobicContact CG2-CD1 3.72Å; I61-I133 HydrophobicContact CG2-CG1 4.37Å; I61-I133 HydrophobicContact CG2-CG2 3.97Å; I61-Y135 HydrophobicContact CG2-CE1 3.94Å
62S90.5Very high92.4Very high11 Ų1152.1 Ų52.18%0.07730%0.297CS..THydrogen-bonded Turntrans52.632.1175.4-55.80000113.5N36 T41 A64 F65 V66N36-S62 PolarHBondContact OD1-N 3.48Å; T41-S62 WeakPolarHBondContact CG2-OG 3.28Å; T41-S62 PolarHBondContact OG1-OG 3.04Å; S62-A64 PolarHBondContact O-N 3.16Å; S62-F65 PolarHBondContact O-N 3.22Å; S62-V66 PolarHBondContact O-N 3Å; S62-V66 VanDerWaalsContact O-N 3.08Å
63A88.4Confident92.1Very high41 Ų4158.2 Ų58.234%0.33932%0.324SS..THydrogen-bonded Turntrans-63.6-12.1-171.700000114N36 H58 I61 F65N36-A63 WeakPolarHBondContact ND2-CB 3.49Å; N36-A63 PolarHBondContact ND2-N 3.3Å; H58-A63 HydrophobicContact CB-CB 4.41Å; I61-A63 PolarHBondContact O-N 3.28Å; I61-A63 VanDerWaalsContact O-N 3.07Å; A63-F65 VanDerWaalsContact C-N 3.31Å
64A82Confident91.7Very high73 Ų7362.8 Ų62.860%0.60334%0.344SS*.THydrogen-bonded Turntrans-74.9-18.4171.400000113.5S62S62-A64 PolarHBondContact O-N 3.16Å
65F84.5Confident91.4Very high139 Ų13964.6 Ų64.661%0.6135%0.354SS*.THydrogen-bonded Turntrans-125.5-27-172.2-54.5-78.1000114G38 S62 A63G38-F65 VanDerWaalsContact N-CE2 3.31Å; S62-F65 PolarHBondContact O-N 3.22Å; A63-F65 VanDerWaalsContact C-N 3.31Å
66V86.6Confident91Very high40 Ų4068.2 Ų68.224%0.24238%0.377CS..SBendtrans-136.5147.4-176.3-62.40000110.9S62 A70 A71 F74S62-V66 PolarHBondContact O-N 3Å; S62-V66 VanDerWaalsContact O-N 3.08Å; V66-A70 HydrophobicContact CB-CB 3.94Å; V66-A70 HydrophobicContact CG1-CB 4.48Å; V66-A71 HydrophobicContact CG2-CB 4.04Å; V66-F74 HydrophobicContact CG1-CE2 4.17Å
67D91.5Very high90.6Very high110 Ų11073.7 Ų73.759%0.58840%0.398SS*.  trans-70.6168.5171.169.570.4000111.6G69 A70 A71D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 PolarHBondContact O-N 3.07Å; D67-G69 VanDerWaalsContact OD1-CA 3.28Å; D67-G69 WeakPolarHBondContact OD1-CA 3.31Å; D67-G69 PolarHBondContact OD1-N 2.8Å; D67-A70 PolarHBondContact O-N 3.28Å; D67-A70 PolarHBondContact OD1-N 3.31Å; D67-A71 WeakPolarHBondContact O-CB 3.36Å; D67-A71 PolarHBondContact O-N 2.86Å
68A92.5Very high90.4Very high51 Ų5167 Ų6742%0.42137%0.37SS..Hα-helixtrans-62.3-32.6-177.100000113.8Q72A68-Q72 PolarHBondContact O-N 2.99Å; A68-Q72 VanDerWaalsContact O-N 3.16Å
69G91.2Very high90.2Very high54 Ų5465.7 Ų65.756%0.55737%0.366SS*.Hα-helixtrans-70.3-43176.700000111.8D67 Q72D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 PolarHBondContact O-N 3.07Å; D67-G69 VanDerWaalsContact OD1-CA 3.28Å; D67-G69 WeakPolarHBondContact OD1-CA 3.31Å; D67-G69 PolarHBondContact OD1-N 2.8Å; G69-Q72 WeakPolarHBondContact O-CB 3.4Å; G69-Q72 PolarHBondContact O-N 2.72Å
70A89.8Confident89.6Confident34 Ų3464.2 Ų64.228%0.28136%0.358SS..Hα-helixtrans-66.2-39.9172.700000112V66 D67 Q72 F73 F74V66-A70 HydrophobicContact CB-CB 3.94Å; V66-A70 HydrophobicContact CG1-CB 4.48Å; D67-A70 PolarHBondContact O-N 3.28Å; D67-A70 PolarHBondContact OD1-N 3.31Å; A70-Q72 VanDerWaalsContact C-N 3.27Å; A70-Q72 PolarHBondContact O-N 3.3Å; A70-F73 VanDerWaalsContact O-CB 3.26Å; A70-F73 WeakPolarHBondContact O-CB 3.29Å; A70-F73 PolarHBondContact O-N 3.17Å; A70-F73 VanDerWaalsContact O-N 3.08Å; A70-F74 VanDerWaalsContact O-CD2 3.27Å; A70-F74 WeakPolarHBondContact O-CD2 3.27Å; A70-F74 WeakPolarHBondContact O-CE2 3.14Å
71A91.5Very high88.3Confident3 Ų369.8 Ų69.83%0.02538%0.382CS..Hα-helixtrans-56.5-40.6175.300000112.3I61 V66 D67 F73 F74I61-A71 HydrophobicContact CG1-CB 3.96Å; I61-A71 WeakPolarHBondContact O-CB 3.42Å; V66-A71 HydrophobicContact CG2-CB 4.04Å; D67-A71 WeakPolarHBondContact O-CB 3.36Å; D67-A71 PolarHBondContact O-N 2.86Å; A71-F73 PolarHBondContact O-N 3.42Å; A71-F74 PolarHBondContact O-N 2.78Å; A71-F74 VanDerWaalsContact O-N 3.07Å
72Q93Very high86.6Confident125 Ų12575.2 Ų75.258%0.58441%0.411SS*.Hα-helixtrans-58-31.7177.9-170.265.917.700112.7A68 G69 A70 F74A68-Q72 PolarHBondContact O-N 2.99Å; A68-Q72 VanDerWaalsContact O-N 3.16Å; G69-Q72 WeakPolarHBondContact O-CB 3.4Å; G69-Q72 PolarHBondContact O-N 2.72Å; A70-Q72 VanDerWaalsContact C-N 3.27Å; A70-Q72 PolarHBondContact O-N 3.3Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 3.36Å
73F91.8Very high84.6Confident129 Ų12980.9 Ų80.957%0.56645%0.446SS*.Hα-helixtrans-64.4-31.5178.2-176.6-95.7000112.6A70 A71 P76 Y77A70-F73 VanDerWaalsContact O-CB 3.26Å; A70-F73 WeakPolarHBondContact O-CB 3.29Å; A70-F73 PolarHBondContact O-N 3.17Å; A70-F73 VanDerWaalsContact O-N 3.08Å; A71-F73 PolarHBondContact O-N 3.42Å; F73-P76 WeakPolarHBondContact O-CD 3.47Å; F73-Y77 HydrophobicContact CD1-CE2 4.39Å; F73-Y77 HydrophobicContact CE1-CE2 4.07Å; F73-Y77 HydrophobicContact CZ-CE2 4.34Å; F73-Y77 VanDerWaalsContact O-CD2 3.31Å; F73-Y77 WeakPolarHBondContact O-CD2 3.35Å; F73-Y77 VanDerWaalsContact O-CE2 3.27Å; F73-Y77 WeakPolarHBondContact O-CE2 3.38Å
74F89Confident82.9Confident96 Ų9687.4 Ų87.442%0.42147%0.469SS..Hα-helixtrans-82.9-24.3-176.9-61-70.8000113.7I61 V66 A70 A71 Q72 P76 Y77 L78I61-F74 HydrophobicContact CD1-CB 4.47Å; V66-F74 HydrophobicContact CG1-CE2 4.17Å; A70-F74 VanDerWaalsContact O-CD2 3.27Å; A70-F74 WeakPolarHBondContact O-CD2 3.27Å; A70-F74 WeakPolarHBondContact O-CE2 3.14Å; A71-F74 PolarHBondContact O-N 2.78Å; A71-F74 VanDerWaalsContact O-N 3.07Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 3.36Å; F74-P76 VanDerWaalsContact C-CD 3.49Å; F74-Y77 WeakPolarHBondContact O-CB 3.22Å; F74-Y77 PolarHBondContact O-N 2.99Å; F74-L78 PolarHBondContact O-N 3.14Å
75L91.4Very high81.2Confident40 Ų4091.3 Ų91.321%0.20949%0.485CS..G310 helixtrans-53.4-44.4-174.8-60.2-178.6000114.2I61 Y77 L78 I133I61-L75 HydrophobicContact CD1-CD2 3.59Å; I61-L75 HydrophobicContact CG1-CD2 4.03Å; L75-Y77 PolarHBondContact O-N 3.1Å; L75-Y77 VanDerWaalsContact O-N 3.15Å; L75-L78 HydrophobicContact CD2-CD1 3.91Å; L75-L78 WeakPolarHBondContact O-CB 3.28Å; L75-L78 PolarHBondContact O-N 3.04Å; L75-L78 VanDerWaalsContact O-N 3.16Å; L75-I133 HydrophobicContact CD2-CD1 3.52Å
76P88.8Confident79.3Confident77 Ų7786.7 Ų86.750%0.548%0.477SS..G310 helixtrans-65.9-16.2179.1-21.535.1000114.2F73 F74 K80F73-P76 WeakPolarHBondContact O-CD 3.47Å; F74-P76 VanDerWaalsContact C-CD 3.49Å; P76-K80 WeakPolarHBondContact O-CE 3.24Å; P76-K80 WeakPolarHBondContact O-CG 3.09Å
77Y88Confident77.1Confident115 Ų11590.7 Ų90.745%0.45150%0.504SS..G310 helixtrans-90.6-14.1179.1-59.9-89.1000112.4F73 F74 L75 N79 K80F73-Y77 HydrophobicContact CD1-CE2 4.39Å; F73-Y77 HydrophobicContact CE1-CE2 4.07Å; F73-Y77 HydrophobicContact CZ-CE2 4.34Å; F73-Y77 VanDerWaalsContact O-CD2 3.31Å; F73-Y77 WeakPolarHBondContact O-CD2 3.35Å; F73-Y77 VanDerWaalsContact O-CE2 3.27Å; F73-Y77 WeakPolarHBondContact O-CE2 3.38Å; F74-Y77 WeakPolarHBondContact O-CB 3.22Å; F74-Y77 PolarHBondContact O-N 2.99Å; L75-Y77 PolarHBondContact O-N 3.1Å; L75-Y77 VanDerWaalsContact O-N 3.15Å; Y77-N79 PolarHBondContact O-N 2.91Å; Y77-K80 HydrophobicContact CD1-CD 3.74Å; Y77-K80 HydrophobicContact CE1-CD 4.22Å; Y77-K80 VanDerWaalsContact CE1-NZ 3.33Å; Y77-K80 HydrophobicContact CG-CD 4.4Å; Y77-K80 PolarHBondContact O-N 2.99Å
78L89.3Confident75.2Confident19 Ų1992.4 Ų92.410%0.09951%0.506CS..THydrogen-bonded Turntrans-63.2-28.2179.5-66.4177.9000113.3V44 I61 F74 L75 R129 V131 I133V44-L78 HydrophobicContact CG1-CD2 4Å; I61-L78 HydrophobicContact CD1-CD1 4.28Å; F74-L78 PolarHBondContact O-N 3.14Å; L75-L78 HydrophobicContact CD2-CD1 3.91Å; L75-L78 WeakPolarHBondContact O-CB 3.28Å; L75-L78 PolarHBondContact O-N 3.04Å; L75-L78 VanDerWaalsContact O-N 3.16Å; L78-R129 PolarHBondContact O-NH1 3.33Å; L78-R129 PolarHBondContact O-NH2 2.88Å; L78-R129 VanDerWaalsContact O-NH2 3.14Å; L78-V131 HydrophobicContact CB-CB 4.23Å; L78-V131 HydrophobicContact CD1-CG1 4.4Å; L78-I133 HydrophobicContact CD1-CD1 3.58Å; L78-I133 HydrophobicContact CD1-CG1 4.28Å
79N88.7Confident72.8Confident67 Ų6799.9 Ų99.936%0.35853%0.529SS..THydrogen-bonded Turntrans-114.811.8178.3-66-29.3000113.1Y77 V131Y77-N79 PolarHBondContact O-N 2.91Å; N79-V131 PolarHBondContact ND2-O 3.01Å; N79-V131 VanDerWaalsContact ND2-O 3.14Å; N79-V131 WeakPolarHBondContact OD1-CA 3.26Å; N79-V131 WeakPolarHBondContact OD1-CB 3.35Å; N79-V131 PolarHBondContact OD1-N 3.13Å
80K81.8Confident70.8Confident105 Ų10599.8 Ų99.846%0.45753%0.528SS..SBendtrans-79.4140.1171.5-78.1178.5-172.6176.10109.6P76 Y77 N82P76-K80 WeakPolarHBondContact O-CE 3.24Å; P76-K80 WeakPolarHBondContact O-CG 3.09Å; Y77-K80 HydrophobicContact CD1-CD 3.74Å; Y77-K80 HydrophobicContact CE1-CD 4.22Å; Y77-K80 VanDerWaalsContact CE1-NZ 3.33Å; Y77-K80 HydrophobicContact CG-CD 4.4Å; Y77-K80 PolarHBondContact O-N 2.99Å; K80-N82 PolarHBondContact O-N 3.35Å
81E68Low68.5Low132 Ų132105.5 Ų105.562%0.61755%0.553SS**  trans-63.4129.9165.2-70.9177.9-175.700108.5T83E81-T83 VanDerWaalsContact C-N 3.28Å; E81-T83 PolarHBondContact O-N 3.39Å; E81-T83 PolarHBondContact O-OG1 3.37Å
82N59.6Low65.7Low118 Ų118110.8 Ų110.863%0.63159%0.585SS**  trans-62.392174.1-78.3-20.9000108.4K80 E84K80-N82 PolarHBondContact O-N 3.35Å; N82-E84 VanDerWaalsContact C-N 3.31Å
83T49.9Very low63.1Low130 Ų130113.7 Ų113.780%0.79859%0.592SS**  trans-84.3-12.3-178.7-10.90000111.7E81E81-T83 VanDerWaalsContact C-N 3.28Å; E81-T83 PolarHBondContact O-N 3.39Å; E81-T83 PolarHBondContact O-OG1 3.37Å
84E52.3Low60.4Low179 Ų179112.5 Ų112.584%0.83660%0.595SS**  trans-97.798.9-176-65.8-169.6177.800111.7N82 G86N82-E84 VanDerWaalsContact C-N 3.31Å; E84-G86 PolarHBondContact O-N 2.88Å; E84-G86 VanDerWaalsContact O-N 3.14Å
85V46.6Very low57.8Low154 Ų154115.4 Ų115.493%0.93361%0.61SS**  trans-81.646158.3-166.10000109.1
86G43.9Very low55Low42 Ų42121.9 Ų121.943%0.43364%0.639SS.*  trans-86.9147.2174.200000109.8E84 K88E84-G86 PolarHBondContact O-N 2.88Å; E84-G86 VanDerWaalsContact O-N 3.14Å; G86-K88 PolarHBondContact O-N 3.37Å
87P40.6Very low52.6Low125 Ų125123.9 Ų123.981%0.81265%0.649SS**  trans-57.1117.8173.822.5-30.9000109.5K89P87-K89 PolarHBondContact O-N 2.76Å
88K51.3Low50Low146 Ų146123.6 Ų123.664%0.63566%0.664SS**  trans-59.8111.3166.1-70.5-172.5-177.7-175.40106.3E46 G86 G90E46-K88 IonicContact OE1-NZ 3.16Å; E46-K88 PolarHBondContact OE1-NZ 3.12Å; E46-K88 IonicContact OE2-NZ 2.76Å; E46-K88 PolarHBondContact OE2-NZ 3.1Å; G86-K88 PolarHBondContact O-N 3.37Å; K88-G90 PolarHBondContact O-N 2.9Å
89K43.3Very low47.4Very low208 Ų208130 Ų13090%0.90470%0.698SS**  trans-7280.4171.9-80.1-174.2176.2179.40108.5P87P87-K89 PolarHBondContact O-N 2.76Å
90G48Very low44.8Very low52 Ų52135.8 Ų135.854%0.53672%0.723SS.*  trans-77.3131.6161.600000109.1K88 T92K88-G90 PolarHBondContact O-N 2.9Å; G90-T92 PolarHBondContact O-N 3Å; G90-T92 VanDerWaalsContact O-N 3.07Å
91L42.7Very low42.5Very low153 Ų153136 Ų13680%0.80174%0.738SS**  trans-71.197.8161.8-89.7102.5000107.5Y93L91-Y93 PolarHBondContact O-N 2.77Å
92T31.8Very low40.8Very low115 Ų115137 Ų13771%0.70675%0.753SS**  trans-72.8113.5171.7-37.30000108.8G90 T94G90-T92 PolarHBondContact O-N 3Å; G90-T92 VanDerWaalsContact O-N 3.07Å; T92-T94 PolarHBondContact O-N 3.27Å
93Y39Very low39.7Very low186 Ų186135.5 Ų135.573%0.72976%0.757SS**  trans-80.692.1164.2-70.7-86.2000108.2L91 H95L91-Y93 PolarHBondContact O-N 2.77Å; Y93-H95 VanDerWaalsContact C-N 3.3Å; Y93-H95 PolarHBondContact O-N 3.16Å
94T34.8Very low38.9Very low103 Ų103139.5 Ų139.563%0.63276%0.763SS**  trans-69.591.9168.3-46.40000108.3T92 H96T92-T94 PolarHBondContact O-N 3.27Å; T94-H96 PolarHBondContact O-N 3.38Å; T94-H96 VanDerWaalsContact O-N 3.08Å
95H34.1Very low37.9Very low157 Ų157134.5 Ų134.573%0.72776%0.76SS**  trans-69.1104.2164.6-81.6-86.9000107.7Y93 V97Y93-H95 VanDerWaalsContact C-N 3.3Å; Y93-H95 PolarHBondContact O-N 3.16Å; H95-V97 PolarHBondContact O-N 2.93Å
96H32Very low37.3Very low176 Ų176131.6 Ų131.682%0.81575%0.747SS**  trans-64.390.2159.7-75.3-79.3000107.5T94 S98T94-H96 PolarHBondContact O-N 3.38Å; T94-H96 VanDerWaalsContact O-N 3.08Å; H96-S98 PolarHBondContact O-N 2.75Å; H96-S98 VanDerWaalsContact O-N 3.1Å
97V38.4Very low36.9Very low120 Ų120138.9 Ų138.973%0.72777%0.769SS**  trans-69.9105164.7-177.20000105.5H95 D99H95-V97 PolarHBondContact O-N 2.93Å; V97-D99 PolarHBondContact O-N 2.82Å
98S35Very low36.6Very low108 Ų108139.3 Ų139.376%0.75576%0.759SS**  trans-56.2125.7167.847.70000108.7H96 Q100H96-S98 PolarHBondContact O-N 2.75Å; H96-S98 VanDerWaalsContact O-N 3.1Å; S98-Q100 PolarHBondContact O-N 2.88Å; S98-Q100 VanDerWaalsContact O-N 3.09Å
99D32.9Very low36.3Very low154 Ų154133.5 Ų133.582%0.82474%0.741SS**SBendtrans-38.6109.9178.8-72-48.6000112.9V97V97-D99 PolarHBondContact O-N 2.82Å
100Q34.4Very low36.8Very low188 Ų188127.2 Ų127.288%0.87972%0.722SS**  trans-179.376.9150.2-102.2164.878.400110.9S98S98-Q100 PolarHBondContact O-N 2.88Å; S98-Q100 VanDerWaalsContact O-N 3.09Å
101S33.5Very low37Very low109 Ų109128.7 Ų128.776%0.76273%0.73SS**  trans-178.495.4141.9350000109.9A103S101-A103 PolarHBondContact O-N 2.96Å
102T32.9Very low37.6Very low154 Ų154123.1 Ų123.195%0.94570%0.701SS**  trans-7264.216235.80000109.9K104T102-K104 PolarHBondContact O-N 2.77Å
103A36.3Very low38.9Very low86 Ų86119.6 Ų119.671%0.71169%0.687SS**  trans-91.786.8166.100000108.5S101 G105S101-A103 PolarHBondContact O-N 2.96Å; A103-G105 PolarHBondContact O-N 2.85Å
104K32Very low39.8Very low214 Ų214115.7 Ų115.793%0.9368%0.684SS**  trans-62.4119.9162-84.7-180172.9179.10108.1T102T102-K104 PolarHBondContact O-N 2.77Å
105G32Very low41.3Very low75 Ų75114.7 Ų114.777%0.77368%0.675SS**  trans94.479.9166.900000113.9A103A103-G105 PolarHBondContact O-N 2.85Å
106S34.3Very low42.9Very low93 Ų93107.9 Ų107.965%0.6564%0.643SS**  trans-10499.915162.50000107.8F108S106-F108 PolarHBondContact O-N 3.38Å
107E34.8Very low44.5Very low194 Ų194100.4 Ų100.491%0.90761%0.609SS**  trans-65.333.6161.6-76.8179.9145.300111.7
108F35.9Very low45.8Very low135 Ų135101.8 Ų101.859%0.59261%0.607SS**  trans-110.2104.4177.9-78.4-80.4000107.8S106 S110 T197S106-F108 PolarHBondContact O-N 3.38Å; F108-S110 PolarHBondContact O-N 3.14Å; F108-S110 VanDerWaalsContact O-N 3.17Å; F108-T197 HydrophobicContact CD1-CG2 3.78Å; F108-T197 HydrophobicContact CE1-CG2 3.32Å; F108-T197 WeakPolarHBondContact CE1-OG1 3.38Å; F108-T197 HydrophobicContact CZ-CG2 3.95Å
109G44Very low47.2Very low24 Ų24102.3 Ų102.325%0.24761%0.606CS.*PPolyproline II helixtrans-53.7121170.700000110.8T15 E16T15-G109 VanDerWaalsContact OG1-CA 3.24Å; T15-G109 WeakPolarHBondContact OG1-CA 3.39Å; E16-G109 VanDerWaalsContact CD-CA 3.5Å; E16-G109 WeakPolarHBondContact OE1-CA 3.47Å; E16-G109 PolarHBondContact OE1-N 2.85Å
110S54.1Low48.7Very low75 Ų7596.2 Ų96.252%0.52458%0.576SS.*PPolyproline II helixtrans-72.5154174.151.90000110.1D14 T15 F108D14-S110 WeakPolarHBondContact CA-O 3.42Å; T15-S110 PolarHBondContact N-O 2.69Å; F108-S110 PolarHBondContact O-N 3.14Å; F108-S110 VanDerWaalsContact O-N 3.17Å
111A52.6Low50.6Low83 Ų8393.2 Ų93.269%0.68656%0.561SS**BIsolated β-bridgetrans-56.5150.6167.400000110.3G113A111-G113 PolarHBondContact O-N 2.74Å
112L55.3Low53Low37 Ų3789 Ų8919%0.19453%0.53CS..  trans-69.6115179.1-57.9179.2000109.9I12 D14 V18 W116I12-L112 HydrophobicContact CG2-CD1 3.52Å; D14-L112 VanDerWaalsContact C-CD2 3.48Å; V18-L112 HydrophobicContact CB-CD2 4.33Å; V18-L112 HydrophobicContact CG2-CD1 3.52Å; V18-L112 HydrophobicContact CG2-CD2 3.43Å; V18-L112 VanDerWaalsContact CG2-CD2 3.43Å; V18-L112 HydrophobicContact CG2-CG 4.11Å; L112-W116 HydrophobicContact CB-CB 3.96Å; L112-W116 HydrophobicContact CB-CG 3.88Å; L112-W116 HydrophobicContact CD1-CD2 4.01Å; L112-W116 HydrophobicContact CD1-CE3 4.47Å; L112-W116 HydrophobicContact CD1-CG 4.14Å; L112-W116 HydrophobicContact CD2-CB 3.79Å; L112-W116 HydrophobicContact CD2-CG 4.15Å; L112-W116 HydrophobicContact CG-CB 4.33Å; L112-W116 HydrophobicContact CG-CG 4.26Å
113G58.6Low55.6Low40 Ų4084.4 Ų84.441%0.41250%0.502SS..  trans-74.9170.2165.200000111.1A111 D115 W116A111-G113 PolarHBondContact O-N 2.74Å; G113-D115 PolarHBondContact O-N 2.71Å; G113-W116 PolarHBondContact O-N 3.05Å; G113-W116 VanDerWaalsContact O-N 3.13Å
114P57.1Low58.2Low104 Ų10480.8 Ų80.868%0.67547%0.472SS*.THydrogen-bonded Turntrans-57.5-23.4-174.624.1-34.6000114.4
115D66.3Low60.9Low83 Ų8373.2 Ų73.244%0.44445%0.449SS..THydrogen-bonded Turntrans-101.716.8-175.4-51.1-47.8000113.1G113 I117 E118G113-D115 PolarHBondContact O-N 2.71Å; D115-I117 PolarHBondContact O-N 3.48Å; D115-I117 VanDerWaalsContact O-N 3.1Å; D115-E118 HydrophobicContact CB-CG 4.19Å; D115-E118 WeakPolarHBondContact O-CB 3.4Å; D115-E118 PolarHBondContact O-N 2.87Å
116W67.9Low63.8Low13 Ų1371 Ų715%0.04942%0.42CS..G310 helixtrans-56.9-31.6-176.167-87.9000113.8V18 F21 E42 I43 L112 G113 E118 T119V18-W116 HydrophobicContact CB-CE3 4.1Å; V18-W116 HydrophobicContact CB-CZ3 4.33Å; V18-W116 HydrophobicContact CG1-CE3 3.55Å; V18-W116 HydrophobicContact CG1-CZ3 3.84Å; V18-W116 HydrophobicContact CG2-CD2 4.09Å; V18-W116 HydrophobicContact CG2-CE3 3.35Å; V18-W116 HydrophobicContact CG2-CZ3 3.61Å; F21-W116 HydrophobicContact CD1-CZ3 4.45Å; E42-W116 HydrophobicContact CB-CZ2 4.42Å; E42-W116 PolarHBondContact OE2-NE1 3.47Å; I43-W116 HydrophobicContact CD1-CH2 4.28Å; I43-W116 HydrophobicContact CG1-CH2 3.68Å; I43-W116 HydrophobicContact CG1-CZ2 3.88Å; L112-W116 HydrophobicContact CB-CB 3.96Å; L112-W116 HydrophobicContact CB-CG 3.88Å; L112-W116 HydrophobicContact CD1-CD2 4.01Å; L112-W116 HydrophobicContact CD1-CE3 4.47Å; L112-W116 HydrophobicContact CD1-CG 4.14Å; L112-W116 HydrophobicContact CD2-CB 3.79Å; L112-W116 HydrophobicContact CD2-CG 4.15Å; L112-W116 HydrophobicContact CG-CB 4.33Å; L112-W116 HydrophobicContact CG-CG 4.26Å; G113-W116 PolarHBondContact O-N 3.05Å; G113-W116 VanDerWaalsContact O-N 3.13Å; W116-E118 PolarHBondContact O-N 2.99Å; W116-T119 PolarHBondContact O-N 2.89Å; W116-T119 PolarHBondContact O-OG1 2.93Å
117I65.6Low66.4Low20 Ų2075.4 Ų75.410%0.10343%0.43CS..G310 helixtrans-65.1-28.7179.3-69.8178.6000112E42 E46 D115 T119 C120 I122E42-I117 HydrophobicContact CB-CD1 3.91Å; E46-I117 HydrophobicContact CB-CD1 3.69Å; E46-I117 HydrophobicContact CB-CG2 4.16Å; E46-I117 HydrophobicContact CG-CD1 3.64Å; D115-I117 PolarHBondContact O-N 3.48Å; D115-I117 VanDerWaalsContact O-N 3.1Å; I117-T119 PolarHBondContact O-N 3.2Å; I117-C120 PolarHBondContact O-N 3.41Å; I117-I122 HydrophobicContact CG2-CD1 3.21Å; I117-I122 HydrophobicContact CG2-CG1 3.76Å; I117-I122 HydrophobicContact CG2-CG2 4.22Å
118E67Low69.1Low148 Ų14872.1 Ų72.169%0.69241%0.413SS*.G310 helixtrans-66.1-20.3-179.4-58.4-168.816100112.8D115 W116D115-E118 HydrophobicContact CB-CG 4.19Å; D115-E118 WeakPolarHBondContact O-CB 3.4Å; D115-E118 PolarHBondContact O-N 2.87Å; W116-E118 PolarHBondContact O-N 2.99Å
119T62.6Low71.7Confident120 Ų12067.1 Ų67.174%0.73639%0.39SS*.G310 helixtrans-86.6-8.7-178.966.90000113.7W116 I117W116-T119 PolarHBondContact O-N 2.89Å; W116-T119 PolarHBondContact O-OG1 2.93Å; I117-T119 PolarHBondContact O-N 3.2Å
120C66Low74.1Confident26 Ų2667.8 Ų67.818%0.17639%0.386CS..SBendtrans-128.9140.9-168.1-164.70000112.4V18 G22 I117 I122V18-C120 HydrophobicContact CG1-CB 3.97Å; G22-C120 WeakPolarHBondContact CA-SG 3.2Å; I117-C120 PolarHBondContact O-N 3.41Å; C120-I122 HydrophobicContact CB-CG2 4.15Å; C120-I122 PolarHBondContact O-N 3.46Å
121E74.1Confident76.1Confident124 Ų12464.7 Ų64.758%0.57936%0.364SS*.  trans-73.399.3169.9-171.3178.7-159.900109.2
122I82.5Confident78.2Confident20 Ų2062.9 Ų62.910%0.10334%0.342CS..  trans-100.628.3-175.853.4141.3000113.6L25 E46 V47 S48 I117 C120L25-I122 HydrophobicContact CD1-CB 4.44Å; E46-I122 HydrophobicContact CB-CD1 3.67Å; E46-I122 WeakPolarHBondContact O-CD1 3.33Å; V47-I122 WeakPolarHBondContact CA-O 3.26Å; V47-I122 WeakPolarHBondContact CG1-O 3.38Å; V47-I122 HydrophobicContact CG2-CB 4.3Å; S48-I122 PolarHBondContact N-O 2.99Å; S48-I122 VanDerWaalsContact N-O 3.14Å; I117-I122 HydrophobicContact CG2-CD1 3.21Å; I117-I122 HydrophobicContact CG2-CG1 3.76Å; I117-I122 HydrophobicContact CG2-CG2 4.22Å; C120-I122 HydrophobicContact CB-CG2 4.15Å; C120-I122 PolarHBondContact O-N 3.46Å
123T87.9Confident80.2Confident59 Ų5962.3 Ų62.336%0.36234%0.339SS..BIsolated β-bridgetrans-102.6126.3175.5-56.80000109.1S48 N49S48-T123 WeakPolarHBondContact OG-CA 3.41Å; S48-T123 WeakPolarHBondContact OG-CG2 3.47Å; S48-T123 PolarHBondContact OG-OG1 2.6Å; S48-T123 VanDerWaalsContact OG-OG1 3.14Å; N49-T123 HydrophobicContact CB-CG2 3.79Å
124A92Very high82.1Confident9 Ų961.8 Ų61.87%0.07433%0.325CS..  trans-95.7-162.9175.500000112.6L25 V28 S48 N49 V50L25-A124 HydrophobicContact CD2-CB 4.34Å; L25-A124 WeakPolarHBondContact O-CA 3.33Å; L25-A124 WeakPolarHBondContact O-CB 3.29Å; V28-A124 HydrophobicContact CB-CB 4.38Å; V28-A124 WeakPolarHBondContact O-CB 3.34Å; S48-A124 PolarHBondContact O-N 3.14Å; N49-A124 WeakPolarHBondContact CB-O 3.21Å; N49-A124 CarbonylContact O-C 3.58Å; N49-A124 WeakPolarHBondContact O-CB 3.47Å; V50-A124 HydrophobicContact CB-CB 3.66Å; V50-A124 HydrophobicContact CG2-CB 3.86Å
125A89Confident84Confident55 Ų5560.1 Ų60.146%0.45531%0.306SS..SBendtrans-93.1-7.7-162.500000116.3V28 N49V28-A125 WeakPolarHBondContact O-CB 3.19Å; V28-A125 PolarHBondContact O-N 2.65Å; N49-A125 PolarHBondContact O-N 3.22Å
126L92.1Very high85.4Confident30 Ų3062.8 Ų62.816%0.15731%0.314CS..SBendtrans-82.4166.6-179.5-54.7-173000111.9R29 N49 E51 I163R29-L126 HydrophobicContact CB-CD2 3.91Å; R29-L126 HydrophobicContact CB-CG 4.42Å; R29-L126 HydrophobicContact CG-CD2 3.91Å; R29-L126 VanDerWaalsContact O-CD1 3.27Å; R29-L126 WeakPolarHBondContact O-CD1 3.41Å; N49-L126 WeakPolarHBondContact CB-O 3.48Å; N49-L126 VanDerWaalsContact CG-O 3.3Å; N49-L126 PolarHBondContact ND2-O 3.25Å; N49-L126 WeakPolarHBondContact O-CA 3.27Å; N49-L126 WeakPolarHBondContact O-CB 3.44Å; N49-L126 PolarHBondContact O-N 3.29Å; E51-L126 HydrophobicContact CG-CD1 3.9Å; L126-I163 HydrophobicContact CD1-CD1 3.96Å; L126-I163 HydrophobicContact CD2-CD1 3.72Å
127E89.1Confident86.7Confident184 Ų18462.3 Ų62.386%0.8631%0.312SS*.SBendtrans-78.3-28.9173.2-65.5-177.6173.100112.4
128K90.4Very high88.1Confident125 Ų12563.1 Ų63.154%0.54332%0.322SS..SBendtrans-133.3150.6-175.1-67.7-173.7175.1-1750110.7
129R91.4Very high89.4Confident30 Ų3057.3 Ų57.311%0.11330%0.297CS..  trans-87.6139.4170178.8178.9168.6-106.1-13.6109.8V44 V47 V50 L78 V131V44-R129 PolarHBondContact O-NE 3.17Å; V44-R129 PolarHBondContact O-NH2 2.71Å; V47-R129 WeakPolarHBondContact O-CD 3.34Å; V47-R129 PolarHBondContact O-NE 2.92Å; V50-R129 VanDerWaalsContact O-CA 3.31Å; V50-R129 WeakPolarHBondContact O-CA 3.4Å; L78-R129 PolarHBondContact O-NH1 3.33Å; L78-R129 PolarHBondContact O-NH2 2.88Å; L78-R129 VanDerWaalsContact O-NH2 3.14Å; R129-V131 HydrophobicContact CG-CG2 4.36Å; R129-V131 VanDerWaalsContact NH2-CG2 3.28Å
130Q94.8Very high90.9Very high38 Ų3856.7 Ų56.718%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-139.6134.1170.7-69.9-57.9-30.800110.1V50 E51 I52 F162V50-Q130 PolarHBondContact O-N 3.26Å; E51-Q130 CarbonylContact C-O 3.54Å; E51-Q130 VanDerWaalsContact CA-O 3.28Å; E51-Q130 WeakPolarHBondContact CA-O 3.48Å; E51-Q130 HydrophobicContact CG-CB 4.36Å; I52-Q130 PolarHBondContact N-O 3.21Å; Q130-F162 HydrophobicContact CB-CE2 3.96Å; Q130-F162 HydrophobicContact CB-CZ 4.21Å
131V96.4Very high92.2Very high10 Ų1059 Ų596%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-122.4126.9-178.8-175.20000109.1V44 I52 L78 N79 R129 I133V44-V131 HydrophobicContact CG1-CG1 3.93Å; V44-V131 HydrophobicContact CG1-CG2 4.35Å; I52-V131 HydrophobicContact CB-CG1 4.39Å; I52-V131 HydrophobicContact CB-CG2 4.12Å; I52-V131 HydrophobicContact CD1-CG2 4.31Å; I52-V131 HydrophobicContact CG1-CG2 4.41Å; I52-V131 CarbonylContact O-C 3.6Å; I52-V131 WeakPolarHBondContact O-CA 3.4Å; L78-V131 HydrophobicContact CB-CB 4.23Å; L78-V131 HydrophobicContact CD1-CG1 4.4Å; N79-V131 PolarHBondContact ND2-O 3.01Å; N79-V131 VanDerWaalsContact ND2-O 3.14Å; N79-V131 WeakPolarHBondContact OD1-CA 3.26Å; N79-V131 WeakPolarHBondContact OD1-CB 3.35Å; N79-V131 PolarHBondContact OD1-N 3.13Å; R129-V131 HydrophobicContact CG-CG2 4.36Å; R129-V131 VanDerWaalsContact NH2-CG2 3.28Å; V131-I133 HydrophobicContact CG1-CG1 4.39Å
132H96.7Very high93.3Very high45 Ų4554.1 Ų54.121%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-118.4132.6169.9174.468.4000108.2I52 I53 W54 P159 F162I52-H132 PolarHBondContact O-N 2.69Å; I53-H132 CarbonylContact C-O 3.39Å; I53-H132 WeakPolarHBondContact CA-O 3.32Å; W54-H132 PolarHBondContact N-O 2.89Å; H132-P159 HydrophobicContact CB-CG 4.35Å; H132-P159 WeakPolarHBondContact ND1-CG 3.3Å; H132-F162 HydrophobicContact CB-CE1 4.16Å; H132-F162 HydrophobicContact CB-CE2 3.68Å; H132-F162 HydrophobicContact CB-CZ 3.37Å
133I97.5Very high93.9Very high26 Ų2653.6 Ų53.613%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-107126.3-179.3-51.8161000108.4W54 V56 I61 L75 L78 V131 Y135W54-I133 HydrophobicContact CB-CG1 4.35Å; W54-I133 HydrophobicContact CB-CG2 4.48Å; W54-I133 HydrophobicContact CE3-CD1 4.49Å; W54-I133 HydrophobicContact CE3-CG1 4.2Å; W54-I133 WeakPolarHBondContact O-CA 3.24Å; W54-I133 WeakPolarHBondContact O-CG2 3.3Å; V56-I133 HydrophobicContact CG2-CG2 3.95Å; I61-I133 HydrophobicContact CG2-CD1 3.72Å; I61-I133 HydrophobicContact CG2-CG1 4.37Å; I61-I133 HydrophobicContact CG2-CG2 3.97Å; L75-I133 HydrophobicContact CD2-CD1 3.52Å; L78-I133 HydrophobicContact CD1-CD1 3.58Å; L78-I133 HydrophobicContact CD1-CG1 4.28Å; V131-I133 HydrophobicContact CG1-CG1 4.39Å; I133-Y135 HydrophobicContact CB-CD2 4.27Å; I133-Y135 HydrophobicContact CB-CE2 3.7Å; I133-Y135 HydrophobicContact CD1-CE2 4.34Å; I133-Y135 VanDerWaalsContact CD1-OH 3.25Å; I133-Y135 WeakPolarHBondContact CD1-OH 3.14Å; I133-Y135 HydrophobicContact CG2-CD1 3.99Å; I133-Y135 HydrophobicContact CG2-CD2 3.85Å; I133-Y135 HydrophobicContact CG2-CE1 3.67Å; I133-Y135 HydrophobicContact CG2-CE2 3.53Å; I133-Y135 HydrophobicContact CG2-CG 4.08Å; I133-Y135 VanDerWaalsContact CG2-CZ 3.44Å
134E97.4Very high94.3Very high28 Ų2852.5 Ų52.513%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-104.2106.4171.8-173.966.8-116.100108.5W54 V56 C137 L174 N176 N178W54-E134 PolarHBondContact O-N 2.7Å; V56-E134 PolarHBondContact N-O 3.38Å; E134-C137 HydrophobicContact CG-CB 4.12Å; E134-C137 PolarHBondContact O-SG 3.09Å; E134-L174 HydrophobicContact CB-CD1 4.28Å; E134-L174 HydrophobicContact CG-CD1 3.58Å; E134-N176 VanDerWaalsContact CD-ND2 3.34Å; E134-N176 PolarHBondContact OE1-ND2 3.29Å; E134-N178 PolarHBondContact OE1-ND2 3.12Å; E134-N178 PolarHBondContact OE2-ND2 2.82Å
135Y97Very high94.4Very high70 Ų7054.6 Ų54.628%0.27527%0.27SS..  trans-86.2162.8-175.5-66.3-85.7000112.6V56 I61 I133 C137V56-Y135 HydrophobicContact CG2-CD1 3.41Å; V56-Y135 VanDerWaalsContact CG2-CD1 3.41Å; V56-Y135 HydrophobicContact CG2-CE1 4Å; V56-Y135 HydrophobicContact CG2-CG 4.05Å; V56-Y135 CarbonylContact O-C 3.53Å; I61-Y135 HydrophobicContact CG2-CE1 3.94Å; I133-Y135 HydrophobicContact CB-CD2 4.27Å; I133-Y135 HydrophobicContact CB-CE2 3.7Å; I133-Y135 HydrophobicContact CD1-CE2 4.34Å; I133-Y135 VanDerWaalsContact CD1-OH 3.25Å; I133-Y135 WeakPolarHBondContact CD1-OH 3.14Å; I133-Y135 HydrophobicContact CG2-CD1 3.99Å; I133-Y135 HydrophobicContact CG2-CD2 3.85Å; I133-Y135 HydrophobicContact CG2-CE1 3.67Å; I133-Y135 HydrophobicContact CG2-CE2 3.53Å; I133-Y135 HydrophobicContact CG2-CG 4.08Å; I133-Y135 VanDerWaalsContact CG2-CZ 3.44Å; Y135-C137 PolarHBondContact O-N 2.87Å; Y135-C137 VanDerWaalsContact O-N 3.12Å
136K96.6Very high94.7Very high139 Ų13957.9 Ų57.960%0.60428%0.276SS*.SBendtrans51.536.9174.2-60.5-177.6176.6-177.60113.1V56 H58 E59V56-K136 PolarHBondContact O-N 3.23Å; H58-K136 PolarHBondContact O-N 2.73Å; H58-K136 VanDerWaalsContact O-N 3.12Å; E59-K136 VanDerWaalsContact CB-CE 3.48Å; E59-K136 IonicContact OE2-NZ 3.02Å
137C95.5Very high95Very high2 Ų260.8 Ų60.81%0.01429%0.289CS..  trans-128.6154.4-17777.30000112.4V56 K57 E134 Y135 L174 S175V56-C137 CarbonylContact C-O 3.55Å; V56-C137 PolarHBondContact O-N 3.07Å; K57-C137 WeakPolarHBondContact CA-O 3.36Å; K57-C137 PolarHBondContact N-O 3.05Å; E134-C137 HydrophobicContact CG-CB 4.12Å; E134-C137 PolarHBondContact O-SG 3.09Å; Y135-C137 PolarHBondContact O-N 2.87Å; Y135-C137 VanDerWaalsContact O-N 3.12Å; C137-L174 HydrophobicContact CB-CB 4.23Å; C137-L174 HydrophobicContact CB-CD1 4.34Å; C137-S175 WeakPolarHBondContact CA-OG 3.29Å
138A94.3Very high95.3Very high38 Ų3852.2 Ų52.231%0.31425%0.249SC..  trans-133.9155.5167.200000108.9K140 L174 S175A138-K140 PolarHBondContact O-N 3.3Å; A138-L174 CarbonylContact O-C 3.52Å; A138-L174 VanDerWaalsContact O-CA 3.3Å; A138-L174 WeakPolarHBondContact O-CA 3.37Å; A138-S175 PolarHBondContact N-OG 3.1Å; A138-S175 PolarHBondContact O-N 3.07Å
139V94.3Very high95.5Very high25 Ų2552 Ų5215%0.15225%0.253CS..EExtended strand (participates in β ladder)trans-65.3123.1171.5175.90000109.1I2 V34 V142 I172 L174I2-V139 HydrophobicContact CD1-CB 4.39Å; I2-V139 HydrophobicContact CD1-CG2 3.86Å; I2-V139 HydrophobicContact CG1-CB 3.95Å; I2-V139 HydrophobicContact CG1-CG1 4.38Å; I2-V139 HydrophobicContact CG1-CG2 3.99Å; V34-V139 HydrophobicContact CB-CG2 4.45Å; V34-V139 HydrophobicContact CG1-CG2 4.06Å; V34-V139 HydrophobicContact CG2-CG2 3.67Å; V139-V142 HydrophobicContact CG1-CG2 4.07Å; V139-I172 HydrophobicContact CG2-CD1 4.46Å; V139-L174 HydrophobicContact CG2-CD2 4.17Å
140K94Very high95.8Very high107 Ų10756.4 Ų56.447%0.46528%0.284SS..EExtended strand (participates in β ladder)trans-91.1-50.3173.8-173.9175.2173.9174.20109.9A138 R173 D177A138-K140 PolarHBondContact O-N 3.3Å; K140-R173 WeakPolarHBondContact CA-O 3.45Å; K140-R173 HydrophobicContact CB-CG 4.49Å; K140-R173 WeakPolarHBondContact CB-O 3.44Å; K140-R173 HydrophobicContact CD-CG 4.38Å; K140-R173 PolarHBondContact N-O 2.83Å; K140-D177 IonicContact NZ-OD1 3.27Å; K140-D177 PolarHBondContact NZ-OD1 2.88Å; K140-D177 VanDerWaalsContact NZ-OD1 3.07Å
141E93.8Very high95.9Very high75 Ų7559 Ų5935%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-143.6147.4-178.4-65.3169.1139.900110.8L143 I172 R173E141-L143 HydrophobicContact CB-CD1 4.33Å; E141-L143 HydrophobicContact CB-CD2 3.94Å; E141-L143 HydrophobicContact CB-CG 3.98Å; E141-I172 WeakPolarHBondContact O-CA 3.45Å; E141-R173 HydrophobicContact CB-CB 4.23Å; E141-R173 PolarHBondContact N-O 2.91Å; E141-R173 PolarHBondContact O-N 2.94Å; E141-R173 VanDerWaalsContact OE2-CD 3.3Å; E141-R173 WeakPolarHBondContact OE2-CD 3.41Å; E141-R173 IonicContact OE2-NH1 2.69Å; E141-R173 PolarHBondContact OE2-NH1 3.22Å
142V96.2Very high95.9Very high22 Ų2261.3 Ų61.313%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-106.1127.2166.5-176.10000106.8I2 V9 V139 V170 I172I2-V142 HydrophobicContact CG2-CG2 4.31Å; V9-V142 HydrophobicContact CG2-CG1 4.23Å; V9-V142 HydrophobicContact CG2-CG2 4.25Å; V139-V142 HydrophobicContact CG1-CG2 4.07Å; V142-V170 HydrophobicContact CG1-CG2 3.43Å; V142-V170 VanDerWaalsContact CG1-CG2 3.43Å; V142-I172 HydrophobicContact CG2-CG2 4.39Å
143L95.8Very high95.9Very high9 Ų960.6 Ų60.65%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-133.7149.2-163.1-59.9170.8000111.7E141 Q147 L151 L153 Y171 R173E141-L143 HydrophobicContact CB-CD1 4.33Å; E141-L143 HydrophobicContact CB-CD2 3.94Å; E141-L143 HydrophobicContact CB-CG 3.98Å; L143-Q147 VanDerWaalsContact CA-OE1 3.32Å; L143-Q147 HydrophobicContact CB-CB 4.26Å; L143-Q147 HydrophobicContact CD2-CB 4.03Å; L143-L151 HydrophobicContact CD1-CD1 4.45Å; L143-L151 HydrophobicContact CD2-CD1 4.11Å; L143-L153 HydrophobicContact CD1-CD1 3.66Å; L143-Y171 PolarHBondContact N-O 3.08Å; L143-Y171 WeakPolarHBondContact O-CB 3.4Å; L143-Y171 PolarHBondContact O-N 3.48Å; L143-R173 HydrophobicContact CD1-CB 4.01Å
144S95.5Very high95.6Very high36 Ų3666.1 Ų66.125%0.25235%0.352SS..  trans-84.1169162.188.70000111.3E146 Q147 C148S144-E146 VanDerWaalsContact C-N 3.29Å; S144-E146 WeakPolarHBondContact CB-OE2 3.38Å; S144-E146 PolarHBondContact O-N 2.85Å; S144-E146 PolarHBondContact OG-N 3.17Å; S144-E146 PolarHBondContact OG-OE2 3.16Å; S144-Q147 PolarHBondContact O-N 2.85Å; S144-Q147 PolarHBondContact OG-N 2.79Å; S144-C148 PolarHBondContact O-N 3.27Å; S144-C148 PolarHBondContact O-SG 3.02Å; S144-C148 VanDerWaalsContact O-SG 3.41Å
145K94.8Very high95.4Very high53 Ų5368 Ų6823%0.2336%0.36CS..Hα-helixtrans-59.7-41.2175.3-173.355.7165.4-175.80111.8Q147 C148 L149 E155 T167 Y171K145-Q147 VanDerWaalsContact C-N 3.33Å; K145-Q147 PolarHBondContact O-N 3.49Å; K145-C148 WeakPolarHBondContact O-CB 3.4Å; K145-C148 PolarHBondContact O-N 2.88Å; K145-L149 HydrophobicContact CG-CD1 4.46Å; K145-L149 WeakPolarHBondContact O-CG 3.32Å; K145-L149 PolarHBondContact O-N 3.23Å; K145-E155 IonicContact NZ-OE1 3.47Å; K145-E155 PolarHBondContact NZ-OE1 3.49Å; K145-T167 HydrophobicContact CB-CG2 4.28Å; K145-T167 HydrophobicContact CG-CG2 4.18Å; K145-Y171 HydrophobicContact CB-CD2 4.4Å; K145-Y171 HydrophobicContact CB-CE2 3.8Å; K145-Y171 HydrophobicContact CD-CE2 3.71Å; K145-Y171 HydrophobicContact CG-CE2 4.3Å
146E96.1Very high95.2Very high123 Ų12368.6 Ų68.658%0.57537%0.366SS*.Hα-helixtrans-65.1-38.1179.9-59.468.7-146.900111.3S144 L149 T150S144-E146 VanDerWaalsContact C-N 3.29Å; S144-E146 WeakPolarHBondContact CB-OE2 3.38Å; S144-E146 PolarHBondContact O-N 2.85Å; S144-E146 PolarHBondContact OG-N 3.17Å; S144-E146 PolarHBondContact OG-OE2 3.16Å; E146-L149 PolarHBondContact O-N 2.84Å; E146-T150 WeakPolarHBondContact O-CB 3.49Å; E146-T150 PolarHBondContact O-N 3.32Å; E146-T150 PolarHBondContact O-OG1 3.31Å
147Q96.6Very high95Very high92 Ų9269.6 Ų69.643%0.4337%0.37SS..Hα-helixtrans-66.9-41.5174.7-68.9175.6-49.400111.3L143 S144 K145 L149 T150 L151L143-Q147 VanDerWaalsContact CA-OE1 3.32Å; L143-Q147 HydrophobicContact CB-CB 4.26Å; L143-Q147 HydrophobicContact CD2-CB 4.03Å; S144-Q147 PolarHBondContact O-N 2.85Å; S144-Q147 PolarHBondContact OG-N 2.79Å; K145-Q147 VanDerWaalsContact C-N 3.33Å; K145-Q147 PolarHBondContact O-N 3.49Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 2.87Å; Q147-T150 PolarHBondContact O-N 2.78Å; Q147-L151 WeakPolarHBondContact O-CB 3.27Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.3Å; Q147-L151 PolarHBondContact O-N 2.79Å
148C95.9Very high94.9Very high4 Ų470.5 Ų70.53%0.02738%0.375CS..Hα-helixtrans-57.6-46.4172.5-66.40000111.8S144 K145 L151 G152 L153 Y171S144-C148 PolarHBondContact O-N 3.27Å; S144-C148 PolarHBondContact O-SG 3.02Å; S144-C148 VanDerWaalsContact O-SG 3.41Å; K145-C148 WeakPolarHBondContact O-CB 3.4Å; K145-C148 PolarHBondContact O-N 2.88Å; C148-L151 PolarHBondContact O-N 3.29Å; C148-G152 PolarHBondContact O-N 3.48Å; C148-G152 VanDerWaalsContact O-N 3.1Å; C148-L153 HydrophobicContact CB-CB 4.35Å; C148-L153 PolarHBondContact O-N 3.06Å; C148-Y171 VanDerWaalsContact SG-CB 3.54Å
149L95.5Very high94.8Very high120 Ų12070.5 Ų70.563%0.62837%0.372SS*.Hα-helixtrans-63.2-44.3178.3-67.9172.1000112.3K145 E146 Q147 L151 G152K145-L149 HydrophobicContact CG-CD1 4.46Å; K145-L149 WeakPolarHBondContact O-CG 3.32Å; K145-L149 PolarHBondContact O-N 3.23Å; E146-L149 PolarHBondContact O-N 2.84Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 2.87Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.7Å; L149-G152 PolarHBondContact O-N 2.93Å; L149-G152 VanDerWaalsContact O-N 3.12Å
150T97.3Very high94.5Very high122 Ų12275.3 Ų75.375%0.74840%0.403SS*.Hα-helixtrans-62.7-36.5179.2-580000111.8E146 Q147 G152E146-T150 WeakPolarHBondContact O-CB 3.49Å; E146-T150 PolarHBondContact O-N 3.32Å; E146-T150 PolarHBondContact O-OG1 3.31Å; Q147-T150 PolarHBondContact O-N 2.78Å; T150-G152 VanDerWaalsContact C-N 3.32Å
151L96.8Very high94.3Very high92 Ų9274.8 Ų74.848%0.48241%0.406SS..THydrogen-bonded Turntrans-85-1.7178.1-65.4172000113.4L143 Q147 C148 L149 L153L143-L151 HydrophobicContact CD1-CD1 4.45Å; L143-L151 HydrophobicContact CD2-CD1 4.11Å; Q147-L151 WeakPolarHBondContact O-CB 3.27Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.3Å; Q147-L151 PolarHBondContact O-N 2.79Å; C148-L151 PolarHBondContact O-N 3.29Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.7Å; L151-L153 HydrophobicContact CB-CD1 3.83Å; L151-L153 HydrophobicContact CB-CG 3.76Å; L151-L153 HydrophobicContact CD1-CD1 3.91Å; L151-L153 PolarHBondContact O-N 2.88Å
152G96.3Very high94.3Very high59 Ų5971.8 Ų71.861%0.60839%0.391SS*.THydrogen-bonded Turntrans64.926.5-176.900000113.8C148 L149 T150C148-G152 PolarHBondContact O-N 3.48Å; C148-G152 VanDerWaalsContact O-N 3.1Å; L149-G152 PolarHBondContact O-N 2.93Å; L149-G152 VanDerWaalsContact O-N 3.12Å; T150-G152 VanDerWaalsContact C-N 3.32Å
153L95.9Very high93.7Very high31 Ų3173.4 Ų73.416%0.16240%0.399CS..  trans-86.7133.7-178.8-63.6173.9000110.7L143 C148 L151 V179L143-L153 HydrophobicContact CD1-CD1 3.66Å; C148-L153 HydrophobicContact CB-CB 4.35Å; C148-L153 PolarHBondContact O-N 3.06Å; L151-L153 HydrophobicContact CB-CD1 3.83Å; L151-L153 HydrophobicContact CB-CG 3.76Å; L151-L153 HydrophobicContact CD1-CD1 3.91Å; L151-L153 PolarHBondContact O-N 2.88Å; L153-V179 HydrophobicContact CB-CG2 4.17Å; L153-V179 HydrophobicContact CD1-CG2 4.24Å; L153-V179 HydrophobicContact CD2-CG2 4.43Å
154N93Very high92.9Very high142 Ų14280.7 Ų80.776%0.75943%0.432SS*.  trans-107146.3174.7-64.2-60.3000110.2
155E93.2Very high91.7Very high66 Ų6686 Ų8631%0.30845%0.447SS..  trans-65.5138174.7-62.4177.7-133.300110.1K145 Y171 V179K145-E155 IonicContact NZ-OE1 3.47Å; K145-E155 PolarHBondContact NZ-OE1 3.49Å; E155-Y171 HydrophobicContact CG-CD1 4.16Å; E155-Y171 HydrophobicContact CG-CE1 3.7Å; E155-Y171 VanDerWaalsContact OE1-CE1 3.27Å; E155-Y171 WeakPolarHBondContact OE1-CE1 3.46Å; E155-Y171 PolarHBondContact OE1-OH 3.15Å; E155-Y171 VanDerWaalsContact OE1-OH 3.04Å; E155-Y171 WeakPolarHBondContact OE2-CE1 3.16Å; E155-V179 CarbonylContact C-O 3.59Å; E155-V179 WeakPolarHBondContact CA-O 3.46Å
156E92.5Very high90.8Very high84 Ų8486.5 Ų86.539%0.39347%0.467SS..  trans-67143.2175.3178.356.4-158.600110.3L158 N178 V179 V180E156-L158 PolarHBondContact O-N 3.31Å; E156-L158 VanDerWaalsContact O-N 3.16Å; E156-N178 HydrophobicContact CB-CB 4.17Å; E156-N178 HydrophobicContact CG-CB 4.19Å; E156-V179 PolarHBondContact N-O 3.27Å; E156-V180 HydrophobicContact CB-CG1 4.28Å
157K91.3Very high90.6Very high160 Ų16084.9 Ų84.970%0.69647%0.465SS*.  trans-78.4103.4177.3-170.8176.2-177.7177.30110.1
158L93.7Very high90.6Very high21 Ų2180.9 Ų80.911%0.1145%0.446CS..  trans-70.2165.4174.2-66.1170.9000112R30 I53 E156 F162 V180R30-L158 VanDerWaalsContact CZ-CD1 3.43Å; I53-L158 HydrophobicContact CD1-CD1 3.71Å; I53-L158 HydrophobicContact CD1-CD2 3.81Å; I53-L158 HydrophobicContact CD1-CG 4.42Å; I53-L158 HydrophobicContact CG1-CD2 4.26Å; E156-L158 PolarHBondContact O-N 3.31Å; E156-L158 VanDerWaalsContact O-N 3.16Å; L158-F162 HydrophobicContact CB-CB 3.95Å; L158-F162 HydrophobicContact CB-CD1 4.34Å; L158-F162 HydrophobicContact CB-CG 4.08Å; L158-F162 HydrophobicContact CD1-CB 4.43Å; L158-F162 HydrophobicContact CD1-CD1 3.84Å; L158-F162 HydrophobicContact CD1-CG 4.36Å; L158-V180 HydrophobicContact CD2-CG1 4.21Å
159P92.4Very high90.6Very high38 Ų3884 Ų8425%0.24747%0.466CS..  trans-52.1148.2174.8-27.536000112.8H132 D161 F162H132-P159 HydrophobicContact CB-CG 4.35Å; H132-P159 WeakPolarHBondContact ND1-CG 3.3Å; P159-D161 WeakPolarHBondContact CB-OD1 3.33Å; P159-D161 PolarHBondContact O-N 2.86Å; P159-F162 HydrophobicContact CB-CD2 4.12Å; P159-F162 HydrophobicContact CG-CD2 4.29Å; P159-F162 HydrophobicContact CG-CE2 4.4Å; P159-F162 WeakPolarHBondContact O-CB 3.45Å; P159-F162 PolarHBondContact O-N 3.39Å
160P88.9Confident90.6Very high126 Ų12678.3 Ų78.382%0.81844%0.437SS*.THydrogen-bonded Turntrans-58.8-20.1-173.5-2433.9000115.8F162P160-F162 VanDerWaalsContact C-N 3.29Å
161D89.1Confident90.6Very high96 Ų9672.5 Ų72.551%0.51340%0.401SS..THydrogen-bonded Turntrans-81.6-5.7178.632.1-28.8000113.1P159P159-D161 WeakPolarHBondContact CB-OD1 3.33Å; P159-D161 PolarHBondContact O-N 2.86Å
162F93.2Very high90.6Very high11 Ų1168.1 Ų68.15%0.04838%0.378CS..SBendtrans-87.7142167.4-79.2-117.7000110.7E51 I53 Q130 H132 L158 P159 P160 E164E51-F162 HydrophobicContact CB-CD1 3.96Å; E51-F162 HydrophobicContact CB-CE1 3.71Å; E51-F162 HydrophobicContact CB-CZ 4.48Å; E51-F162 HydrophobicContact CG-CD1 3.78Å; E51-F162 HydrophobicContact CG-CE1 3.91Å; E51-F162 HydrophobicContact CG-CG 4.34Å; E51-F162 WeakPolarHBondContact OE1-CA 3.47Å; E51-F162 VanDerWaalsContact OE2-CD1 3.3Å; E51-F162 WeakPolarHBondContact OE2-CD1 3.49Å; I53-F162 HydrophobicContact CG1-CE1 4.03Å; Q130-F162 HydrophobicContact CB-CE2 3.96Å; Q130-F162 HydrophobicContact CB-CZ 4.21Å; H132-F162 HydrophobicContact CB-CE1 4.16Å; H132-F162 HydrophobicContact CB-CE2 3.68Å; H132-F162 HydrophobicContact CB-CZ 3.37Å; L158-F162 HydrophobicContact CB-CB 3.95Å; L158-F162 HydrophobicContact CB-CD1 4.34Å; L158-F162 HydrophobicContact CB-CG 4.08Å; L158-F162 HydrophobicContact CD1-CB 4.43Å; L158-F162 HydrophobicContact CD1-CD1 3.84Å; L158-F162 HydrophobicContact CD1-CG 4.36Å; P159-F162 HydrophobicContact CB-CD2 4.12Å; P159-F162 HydrophobicContact CG-CD2 4.29Å; P159-F162 HydrophobicContact CG-CE2 4.4Å; P159-F162 WeakPolarHBondContact O-CB 3.45Å; P159-F162 PolarHBondContact O-N 3.39Å; P160-F162 VanDerWaalsContact C-N 3.29Å; F162-E164 PolarHBondContact O-N 3.33Å
163I85Confident90.6Very high57 Ų5767.6 Ų67.629%0.29236%0.358SS..  trans-68.4113.7178.1-56.3164.2000108.9R30 E51 L126 R165R30-I163 PolarHBondContact NH2-O 3.29Å; E51-I163 WeakPolarHBondContact OE1-CB 3.45Å; E51-I163 WeakPolarHBondContact OE1-CG1 3.48Å; E51-I163 PolarHBondContact OE1-N 3.07Å; L126-I163 HydrophobicContact CD1-CD1 3.96Å; L126-I163 HydrophobicContact CD2-CD1 3.72Å; I163-R165 HydrophobicContact CG2-CG 3.38Å; I163-R165 PolarHBondContact O-N 2.97Å
164E78.1Confident90.7Very high161 Ų16166.1 Ų66.175%0.75235%0.35SS*.  trans-74.3112164.9-68.8-175.2176.300109.2F162F162-E164 PolarHBondContact O-N 3.33Å
165R71.6Confident90.8Very high149 Ų14962.3 Ų62.356%0.56234%0.335SS*.  trans-129.5163.1175.9-68.8-131.8-171-142.21.9111.6I163 W168I163-R165 HydrophobicContact CG2-CG 3.38Å; I163-R165 PolarHBondContact O-N 2.97Å; R165-W168 HydrophobicContact CB-CZ2 4.45Å
166G75.9Confident90.9Very high62 Ų6261.8 Ų61.864%0.63933%0.334SS*.SBendtrans-71.1-43.5-169.400000117.2
167T91.8Very high91Very high89 Ų8961.7 Ų61.755%0.54634%0.336SS..  trans-150.3140.4-175.4-49.80000112.1K145K145-T167 HydrophobicContact CB-CG2 4.28Å; K145-T167 HydrophobicContact CG-CG2 4.18Å
168W95.5Very high91.3Very high9 Ų955.7 Ų55.73%0.03431%0.312CS..  trans-112148.2177.1-62.6100.8000111.2R29 R30 R165 V170 Y171 G181R29-W168 HydrophobicContact CB-CH2 4.37Å; R29-W168 HydrophobicContact CB-CZ3 4.32Å; R30-W168 HydrophobicContact CB-CH2 3.7Å; R30-W168 HydrophobicContact CB-CZ3 3.76Å; R165-W168 HydrophobicContact CB-CZ2 4.45Å; W168-V170 VanDerWaalsContact C-N 3.25Å; W168-V170 PolarHBondContact O-N 3.5Å; W168-Y171 HydrophobicContact CB-CE1 4.18Å; W168-Y171 HydrophobicContact CB-CE2 4.07Å; W168-Y171 AromaticContact CD1-CE1 3.91Å; W168-Y171 AromaticContact CD1-CZ 3.99Å; W168-Y171 HydrophobicContact CG-CE1 4.44Å; W168-Y171 PolarHBondContact N-OH 3.16Å; W168-Y171 VanDerWaalsContact N-OH 3.09Å; W168-Y171 VanDerWaalsContact O-CE2 3.32Å; W168-Y171 WeakPolarHBondContact O-CE2 3.28Å; W168-G181 VanDerWaalsContact CG-C 3.45Å
169P95.5Very high91.4Very high69 Ų6954.8 Ų54.845%0.44831%0.307SS..SBendtrans-59.6-32.9174-25.133.6000114.1C182P169-C182 WeakPolarHBondContact CD-O 3.25Å
170V96.6Very high91.6Very high1 Ų153.1 Ų53.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-142.3146.4-179.566.10000111.2N8 V142 W168 G181 C182 V185N8-V170 HydrophobicContact CB-CB 3.63Å; N8-V170 HydrophobicContact CB-CG1 3.69Å; N8-V170 HydrophobicContact CB-CG2 4.06Å; V142-V170 HydrophobicContact CG1-CG2 3.43Å; V142-V170 VanDerWaalsContact CG1-CG2 3.43Å; W168-V170 VanDerWaalsContact C-N 3.25Å; W168-V170 PolarHBondContact O-N 3.5Å; V170-G181 WeakPolarHBondContact O-CA 3.38Å; V170-C182 WeakPolarHBondContact CG1-O 3.38Å; V170-C182 PolarHBondContact N-O 2.91Å; V170-C182 PolarHBondContact O-N 3.16Å; V170-V185 HydrophobicContact CG1-CG2 4.24Å
171Y96.8Very high92Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-119.5145.1174.2-67.7-86.7000109.4L143 K145 C148 E155 W168 V179 V180L143-Y171 PolarHBondContact N-O 3.08Å; L143-Y171 WeakPolarHBondContact O-CB 3.4Å; L143-Y171 PolarHBondContact O-N 3.48Å; K145-Y171 HydrophobicContact CB-CD2 4.4Å; K145-Y171 HydrophobicContact CB-CE2 3.8Å; K145-Y171 HydrophobicContact CD-CE2 3.71Å; K145-Y171 HydrophobicContact CG-CE2 4.3Å; C148-Y171 VanDerWaalsContact SG-CB 3.54Å; E155-Y171 HydrophobicContact CG-CD1 4.16Å; E155-Y171 HydrophobicContact CG-CE1 3.7Å; E155-Y171 VanDerWaalsContact OE1-CE1 3.27Å; E155-Y171 WeakPolarHBondContact OE1-CE1 3.46Å; E155-Y171 PolarHBondContact OE1-OH 3.15Å; E155-Y171 VanDerWaalsContact OE1-OH 3.04Å; E155-Y171 WeakPolarHBondContact OE2-CE1 3.16Å; W168-Y171 HydrophobicContact CB-CE1 4.18Å; W168-Y171 HydrophobicContact CB-CE2 4.07Å; W168-Y171 AromaticContact CD1-CE1 3.91Å; W168-Y171 AromaticContact CD1-CZ 3.99Å; W168-Y171 HydrophobicContact CG-CE1 4.44Å; W168-Y171 PolarHBondContact N-OH 3.16Å; W168-Y171 VanDerWaalsContact N-OH 3.09Å; W168-Y171 VanDerWaalsContact O-CE2 3.32Å; W168-Y171 WeakPolarHBondContact O-CE2 3.28Å; Y171-V179 HydrophobicContact CD1-CG1 4.32Å; Y171-V180 WeakPolarHBondContact CA-O 3.49Å
172I96.6Very high92.3Very high0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-120.313517059.8173.7000109.4V32 V139 E141 V142 L174 V179 V180 V185V32-I172 HydrophobicContact CB-CD1 3.72Å; V32-I172 HydrophobicContact CG1-CD1 3.18Å; V32-I172 HydrophobicContact CG2-CD1 3.55Å; V32-I172 HydrophobicContact CG2-CG1 4.2Å; V139-I172 HydrophobicContact CG2-CD1 4.46Å; E141-I172 WeakPolarHBondContact O-CA 3.45Å; V142-I172 HydrophobicContact CG2-CG2 4.39Å; I172-L174 HydrophobicContact CD1-CD2 3.92Å; I172-L174 HydrophobicContact CG1-CD2 4.46Å; I172-V179 CarbonylContact O-C 3.37Å; I172-V179 VanDerWaalsContact O-CA 3.26Å; I172-V179 WeakPolarHBondContact O-CA 3.1Å; I172-V180 HydrophobicContact CD1-CG2 3.64Å; I172-V180 HydrophobicContact CG1-CG2 3.35Å; I172-V180 PolarHBondContact N-O 2.94Å; I172-V180 PolarHBondContact O-N 3.29Å; I172-V185 HydrophobicContact CG2-CG2 3.44Å; I172-V185 VanDerWaalsContact CG2-CG2 3.44Å
173R96.8Very high92.5Very high47 Ų4743.1 Ų43.118%0.17724%0.236CC..EExtended strand (participates in β ladder)trans-96126.8165.5-176.1-176.6-179.1172.98.7108.1K140 E141 L143 D177 V179K140-R173 WeakPolarHBondContact CA-O 3.45Å; K140-R173 HydrophobicContact CB-CG 4.49Å; K140-R173 WeakPolarHBondContact CB-O 3.44Å; K140-R173 HydrophobicContact CD-CG 4.38Å; K140-R173 PolarHBondContact N-O 2.83Å; E141-R173 HydrophobicContact CB-CB 4.23Å; E141-R173 PolarHBondContact N-O 2.91Å; E141-R173 PolarHBondContact O-N 2.94Å; E141-R173 VanDerWaalsContact OE2-CD 3.3Å; E141-R173 WeakPolarHBondContact OE2-CD 3.41Å; E141-R173 IonicContact OE2-NH1 2.69Å; E141-R173 PolarHBondContact OE2-NH1 3.22Å; L143-R173 HydrophobicContact CD1-CB 4.01Å; R173-D177 IonicContact CZ-OD1 2.74Å; R173-D177 VanDerWaalsContact CZ-OD1 3.29Å; R173-D177 IonicContact NE-OD1 2.73Å; R173-D177 PolarHBondContact NE-OD1 3.28Å; R173-D177 IonicContact NH2-OD1 3.29Å; R173-D177 PolarHBondContact NH2-OD1 2.73Å; R173-V179 HydrophobicContact CB-CG2 4.09Å; R173-V179 HydrophobicContact CG-CG2 4.04Å
174L96.8Very high93Very high0 Ų040.7 Ų40.70%022%0.224CC..EExtended strand (participates in β ladder)trans-91.7164.8177.4-62.5177.2000110.8A55 E134 C137 A138 V139 I172 N176 D177 N178A55-L174 HydrophobicContact CB-CD2 4.18Å; E134-L174 HydrophobicContact CB-CD1 4.28Å; E134-L174 HydrophobicContact CG-CD1 3.58Å; C137-L174 HydrophobicContact CB-CB 4.23Å; C137-L174 HydrophobicContact CB-CD1 4.34Å; A138-L174 CarbonylContact O-C 3.52Å; A138-L174 VanDerWaalsContact O-CA 3.3Å; A138-L174 WeakPolarHBondContact O-CA 3.37Å; V139-L174 HydrophobicContact CG2-CD2 4.17Å; I172-L174 HydrophobicContact CD1-CD2 3.92Å; I172-L174 HydrophobicContact CG1-CD2 4.46Å; L174-N176 WeakPolarHBondContact CB-OD1 3.31Å; L174-N176 PolarHBondContact O-N 2.91Å; L174-D177 WeakPolarHBondContact O-CA 3.27Å; L174-D177 PolarHBondContact O-N 2.75Å; L174-N178 HydrophobicContact CD1-CB 4.4Å; L174-N178 PolarHBondContact N-O 2.99Å
175S96.1Very high93.9Very high63 Ų6333 Ų3344%0.44119%0.188SC..THydrogen-bonded Turntrans-68.9-17-178.861.50000113.5C137 A138C137-S175 WeakPolarHBondContact CA-OG 3.29Å; A138-S175 PolarHBondContact N-OG 3.1Å; A138-S175 PolarHBondContact O-N 3.07Å
176N95.2Very high95Very high54 Ų5425.9 Ų25.929%0.28916%0.161SC..THydrogen-bonded Turntrans-87.911.8168.863.7-5.3000112.3E134 L174 N178E134-N176 VanDerWaalsContact CD-ND2 3.34Å; E134-N176 PolarHBondContact OE1-ND2 3.29Å; L174-N176 WeakPolarHBondContact CB-OD1 3.31Å; L174-N176 PolarHBondContact O-N 2.91Å; N176-N178 PolarHBondContact O-N 3.24Å; N176-N178 VanDerWaalsContact O-N 3.16Å; N176-N178 WeakPolarHBondContact OD1-CB 3.36Å; N176-N178 PolarHBondContact OD1-N 2.94Å
177D95.4Very high95.8Very high83 Ų8323.3 Ų23.344%0.44413%0.133SC..SBendtrans66.7-0.3-179.2-66.7-53.3000116.4K140 R173 L174 V179K140-D177 IonicContact NZ-OD1 3.27Å; K140-D177 PolarHBondContact NZ-OD1 2.88Å; K140-D177 VanDerWaalsContact NZ-OD1 3.07Å; R173-D177 IonicContact CZ-OD1 2.74Å; R173-D177 VanDerWaalsContact CZ-OD1 3.29Å; R173-D177 IonicContact NE-OD1 2.73Å; R173-D177 PolarHBondContact NE-OD1 3.28Å; R173-D177 IonicContact NH2-OD1 3.29Å; R173-D177 PolarHBondContact NH2-OD1 2.73Å; L174-D177 WeakPolarHBondContact O-CA 3.27Å; L174-D177 PolarHBondContact O-N 2.75Å; D177-V179 PolarHBondContact O-N 3.13Å
178N96.7Very high95.8Very high33 Ų3319.4 Ų19.418%0.17611%0.11CC..  trans-61137.2169.4-68.81.9000110E134 E156 L174 N176E134-N178 PolarHBondContact OE1-ND2 3.12Å; E134-N178 PolarHBondContact OE2-ND2 2.82Å; E156-N178 HydrophobicContact CB-CB 4.17Å; E156-N178 HydrophobicContact CG-CB 4.19Å; L174-N178 HydrophobicContact CD1-CB 4.4Å; L174-N178 PolarHBondContact N-O 2.99Å; N176-N178 PolarHBondContact O-N 3.24Å; N176-N178 VanDerWaalsContact O-N 3.16Å; N176-N178 WeakPolarHBondContact OD1-CB 3.36Å; N176-N178 PolarHBondContact OD1-N 2.94Å
179V96.7Very high95.2Very high3 Ų322.9 Ų22.92%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-117.4123.8177.1178.10000109.6L153 E155 E156 Y171 I172 R173 D177L153-V179 HydrophobicContact CB-CG2 4.17Å; L153-V179 HydrophobicContact CD1-CG2 4.24Å; L153-V179 HydrophobicContact CD2-CG2 4.43Å; E155-V179 CarbonylContact C-O 3.59Å; E155-V179 WeakPolarHBondContact CA-O 3.46Å; E156-V179 PolarHBondContact N-O 3.27Å; Y171-V179 HydrophobicContact CD1-CG1 4.32Å; I172-V179 CarbonylContact O-C 3.37Å; I172-V179 VanDerWaalsContact O-CA 3.26Å; I172-V179 WeakPolarHBondContact O-CA 3.1Å; R173-V179 HydrophobicContact CB-CG2 4.09Å; R173-V179 HydrophobicContact CG-CG2 4.04Å; D177-V179 PolarHBondContact O-N 3.13Å
180V96Very high94.2Very high3 Ų322 Ų222%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-126134.7179.2-610000110.6V32 I53 E156 L158 Y171 I172V32-V180 HydrophobicContact CG2-CG2 3.82Å; I53-V180 HydrophobicContact CD1-CB 3.7Å; I53-V180 HydrophobicContact CD1-CG1 3.98Å; I53-V180 HydrophobicContact CD1-CG2 3.95Å; I53-V180 HydrophobicContact CG2-CG2 4.37Å; E156-V180 HydrophobicContact CB-CG1 4.28Å; L158-V180 HydrophobicContact CD2-CG1 4.21Å; Y171-V180 WeakPolarHBondContact CA-O 3.49Å; I172-V180 HydrophobicContact CD1-CG2 3.64Å; I172-V180 HydrophobicContact CG1-CG2 3.35Å; I172-V180 PolarHBondContact N-O 2.94Å; I172-V180 PolarHBondContact O-N 3.29Å
181G96.3Very high92.6Very high0 Ų026.4 Ų26.40%016%0.162CC..EExtended strand (participates in β ladder)trans-93.5145.1172.800000111.6R30 W168 V170R30-G181 WeakPolarHBondContact CD-O 3.47Å; R30-G181 PolarHBondContact NH1-O 2.9Å; W168-G181 VanDerWaalsContact CG-C 3.45Å; V170-G181 WeakPolarHBondContact O-CA 3.38Å
182C96.7Very high90.7Very high0 Ų032.2 Ų32.20%020%0.198CC..EExtended strand (participates in β ladder)trans-153.8171.2177.862.30000111.7R30 V32 P169 V170 F184R30-C182 HydrophobicContact CB-CB 4.36Å; R30-C182 HydrophobicContact CG-CB 3.99Å; R30-C182 WeakPolarHBondContact O-CB 3.2Å; V32-C182 HydrophobicContact CG2-CB 3.84Å; V32-C182 VanDerWaalsContact CG2-SG 3.54Å; P169-C182 WeakPolarHBondContact CD-O 3.25Å; V170-C182 WeakPolarHBondContact CG1-O 3.38Å; V170-C182 PolarHBondContact N-O 2.91Å; V170-C182 PolarHBondContact O-N 3.16Å; C182-F184 PolarHBondContact SG-O 2.78Å; C182-F184 VanDerWaalsContact SG-O 3.34Å
183D96.3Very high88.5Confident22 Ų2235.3 Ų35.312%0.11822%0.218CC..SBendtrans-72.5-39.2176.4-62.6-63000111.6V28 R29 R30V28-D183 HydrophobicContact CG1-CB 4.05Å; V28-D183 HydrophobicContact CG2-CB 4.15Å; R29-D183 WeakPolarHBondContact CA-OD2 3.33Å; R29-D183 WeakPolarHBondContact CB-OD2 3.15Å; R29-D183 IonicContact CZ-OD1 3.55Å; R29-D183 PolarHBondContact N-OD2 3.24Å; R29-D183 IonicContact NE-OD1 3.86Å; R29-D183 PolarHBondContact NE-OD1 2.9Å; R29-D183 IonicContact NE-OD2 3.75Å; R29-D183 IonicContact NH2-OD1 2.77Å; R29-D183 PolarHBondContact NH2-OD1 3.39Å; R30-D183 PolarHBondContact N-OD2 2.84Å; R30-D183 PolarHBondContact O-N 2.7Å
184F96.2Very high86.5Confident6 Ų637.8 Ų37.83%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-160.2165.8167.766.3-100.1000112.4N8 I10 F21 R24 L25 V28 I31 V32 C182 V186N8-F184 HydrophobicContact CB-CB 4.5Å; N8-F184 CarbonylContact O-C 3.34Å; N8-F184 WeakPolarHBondContact O-CA 3.47Å; N8-F184 WeakPolarHBondContact O-CB 3.36Å; I10-F184 HydrophobicContact CG2-CD2 3.77Å; I10-F184 HydrophobicContact CG2-CE2 3.7Å; F21-F184 AromaticContact CD2-CE2 3.92Å; F21-F184 HydrophobicContact CD2-CE2 3.92Å; F21-F184 AromaticContact CD2-CZ 3.92Å; F21-F184 HydrophobicContact CD2-CZ 3.92Å; F21-F184 AromaticContact CE2-CE2 3.85Å; F21-F184 HydrophobicContact CE2-CE2 3.85Å; F21-F184 AromaticContact CE2-CZ 3.84Å; F21-F184 HydrophobicContact CE2-CZ 3.84Å; R24-F184 HydrophobicContact CB-CD1 4.17Å; R24-F184 HydrophobicContact CB-CE1 3.59Å; R24-F184 HydrophobicContact CB-CZ 4.08Å; L25-F184 HydrophobicContact CD2-CZ 4.16Å; L25-F184 HydrophobicContact CG-CZ 4.47Å; V28-F184 HydrophobicContact CB-CE1 4.44Å; V28-F184 HydrophobicContact CG1-CE1 4.3Å; V28-F184 HydrophobicContact CG2-CD1 3.9Å; V28-F184 HydrophobicContact CG2-CE1 3.47Å; V28-F184 VanDerWaalsContact CG2-CE1 3.47Å; I31-F184 WeakPolarHBondContact CA-O 3.45Å; I31-F184 HydrophobicContact CG2-CD1 4.38Å; I31-F184 HydrophobicContact CG2-CD2 4.26Å; I31-F184 HydrophobicContact CG2-CE1 4.03Å; I31-F184 HydrophobicContact CG2-CE2 3.84Å; I31-F184 HydrophobicContact CG2-CZ 3.71Å; V32-F184 PolarHBondContact N-O 3.07Å; C182-F184 PolarHBondContact SG-O 2.78Å; C182-F184 VanDerWaalsContact SG-O 3.34Å; F184-V186 HydrophobicContact CD2-CG2 4.16Å; F184-V186 HydrophobicContact CE2-CG2 3.61Å
185V96.6Very high84.6Confident0 Ų039.9 Ų39.90%024%0.242CC..EExtended strand (participates in β ladder)trans-105.4130.9179.1-175.80000110.1I2 N8 V9 I10 V32 V34 V170 I172I2-V185 HydrophobicContact CD1-CG1 4.39Å; N8-V185 PolarHBondContact O-N 2.73Å; V9-V185 CarbonylContact C-O 3.41Å; V9-V185 WeakPolarHBondContact CA-O 3.27Å; V9-V185 HydrophobicContact CG2-CB 4.13Å; I10-V185 PolarHBondContact N-O 3.39Å; V32-V185 HydrophobicContact CB-CG1 4.42Å; V32-V185 HydrophobicContact CB-CG2 4.49Å; V32-V185 CarbonylContact O-C 3.53Å; V32-V185 WeakPolarHBondContact O-CA 3.45Å; V34-V185 HydrophobicContact CG2-CG1 3.82Å; V170-V185 HydrophobicContact CG1-CG2 4.24Å; I172-V185 HydrophobicContact CG2-CG2 3.44Å; I172-V185 VanDerWaalsContact CG2-CG2 3.44Å
186V94.9Very high82.6Confident0 Ų047.7 Ų47.70%026%0.262CS..EExtended strand (participates in β ladder)trans-94113.4168.4-179.20000109.2I10 I12 F21 I31 V32 V33 V34 I43 F184 A188I10-V186 HydrophobicContact CG2-CB 4.36Å; I10-V186 HydrophobicContact CG2-CG2 3.92Å; I10-V186 CarbonylContact O-C 3.47Å; I10-V186 WeakPolarHBondContact O-CA 3.11Å; I12-V186 HydrophobicContact CD1-CG1 3.64Å; I12-V186 HydrophobicContact CG1-CG1 4.26Å; F21-V186 HydrophobicContact CD2-CG2 4.16Å; F21-V186 HydrophobicContact CE2-CG2 3.62Å; I31-V186 HydrophobicContact CD1-CG2 4.48Å; V32-V186 PolarHBondContact O-N 3.07Å; V33-V186 HydrophobicContact CG2-CB 4.24Å; V33-V186 HydrophobicContact CG2-CG2 4.42Å; V34-V186 PolarHBondContact N-O 3.21Å; I43-V186 HydrophobicContact CD1-CG1 3.76Å; F184-V186 HydrophobicContact CD2-CG2 4.16Å; F184-V186 HydrophobicContact CE2-CG2 3.61Å; V186-A188 HydrophobicContact CG1-CB 4.28Å; V186-A188 PolarHBondContact O-N 2.72Å
187S92.9Very high80.5Confident8 Ų848.2 Ų48.26%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-85.696.9169.7178.90000110I10I10-S187 PolarHBondContact O-N 3.08Å
188A90.4Very high78.5Confident6 Ų651.2 Ų51.25%0.0528%0.277CS..  trans-112.633.8176.200000111.6V34 I39 A40 V186 G190V34-A188 CarbonylContact O-C 3.57Å; V34-A188 VanDerWaalsContact O-CA 3.28Å; V34-A188 WeakPolarHBondContact O-CA 3.26Å; V34-A188 PolarHBondContact O-N 3.12Å; I39-A188 HydrophobicContact CB-CB 4.27Å; I39-A188 HydrophobicContact CG2-CB 3.9Å; A40-A188 HydrophobicContact CB-CB 3.76Å; V186-A188 HydrophobicContact CG1-CB 4.28Å; V186-A188 PolarHBondContact O-N 2.72Å; A188-G190 PolarHBondContact O-N 3.33Å
189T84Confident76.1Confident82 Ų8252.4 Ų52.450%0.50329%0.285SS..SBendtrans-80.65.9-177.656.90000114.4V34V34-T189 HydrophobicContact CB-CG2 4.34Å; V34-T189 HydrophobicContact CG1-CG2 3.82Å; V34-T189 WeakPolarHBondContact O-CG2 3.45Å; V34-T189 PolarHBondContact O-N 2.89Å
190G74.4Confident74Confident52 Ų5257.6 Ų57.654%0.53631%0.312SS..  trans137.1162.4-177.200000111.7A188A188-G190 PolarHBondContact O-N 3.33Å
191V63.4Low72.2Confident92 Ų9262.6 Ų62.656%0.55835%0.353SS*.PPolyproline II helixtrans-96.1124.3175.8-65.40000109.4R13 I39R13-V191 HydrophobicContact CB-CG1 4.16Å; I39-V191 HydrophobicContact CD1-CG1 3.88Å
192V56.2Low70.6Confident122 Ų12270.5 Ų70.574%0.73939%0.388SS*.PPolyproline II helixtrans-87.1117.1164.4-179.20000106.3K194V192-K194 PolarHBondContact O-N 3.41Å
193P50.4Low69.1Low65 Ų6573.6 Ų73.642%0.42240%0.404SS..PPolyproline II helixtrans-60135-179.622.9-31.2000110.4V195 L207P193-V195 HydrophobicContact CB-CG1 4.34Å; P193-V195 HydrophobicContact CG-CG1 4.18Å; P193-V195 PolarHBondContact O-N 3.01Å; P193-L207 HydrophobicContact CG-CD1 4.09Å
194K54.7Low68.2Low99 Ų9974.3 Ų74.343%0.4341%0.41SS..  trans-6983.7166.3-87.9174.1174.3161.80108D14 E16 V192 R196D14-K194 WeakPolarHBondContact OD2-CE 3.5Å; D14-K194 IonicContact OD2-NZ 2.8Å; D14-K194 PolarHBondContact OD2-NZ 3.32Å; E16-K194 IonicContact OE2-NZ 2.87Å; E16-K194 PolarHBondContact OE2-NZ 2.77Å; E16-K194 VanDerWaalsContact OE2-NZ 3.16Å; V192-K194 PolarHBondContact O-N 3.41Å; K194-R196 PolarHBondContact O-N 2.78Å
195V57.7Low67.7Low44 Ų4475.4 Ų75.427%0.26742%0.417SS..G310 helixtrans-66.7-23.6-179.3-660000112.8P193 T197 F198 V199 V205 L207P193-V195 HydrophobicContact CB-CG1 4.34Å; P193-V195 HydrophobicContact CG-CG1 4.18Å; P193-V195 PolarHBondContact O-N 3.01Å; V195-T197 PolarHBondContact O-N 2.76Å; V195-F198 WeakPolarHBondContact O-CA 3.17Å; V195-F198 PolarHBondContact O-N 2.8Å; V195-V199 HydrophobicContact CB-CG2 4.39Å; V195-V199 WeakPolarHBondContact O-CG2 3.37Å; V195-V199 PolarHBondContact O-N 2.88Å; V195-V205 HydrophobicContact CG1-CG1 4.23Å; V195-L207 HydrophobicContact CG1-CD1 3.92Å
196R52.7Low67.2Low227 Ų22778 Ų7886%0.85743%0.43SS*.G310 helixtrans-55.9-29-177.7-69.6-169.1179.4-163.60.3114.3K194 F198 V199K194-R196 PolarHBondContact O-N 2.78Å; R196-F198 VanDerWaalsContact C-N 3.29Å; R196-V199 CarbonylContact O-C 3.59Å; R196-V199 PolarHBondContact O-N 3.2Å
197T52.6Low67Low65 Ų6580.7 Ų80.740%0.39945%0.445SS..G310 helixtrans-67.7-32.2176.6-50.70000112.1F108 V195F108-T197 HydrophobicContact CD1-CG2 3.78Å; F108-T197 HydrophobicContact CE1-CG2 3.32Å; F108-T197 WeakPolarHBondContact CE1-OG1 3.38Å; F108-T197 HydrophobicContact CZ-CG2 3.95Å; V195-T197 PolarHBondContact O-N 2.76Å
198F53.1Low66.8Low147 Ų14781.5 Ų81.565%0.64545%0.448SS*.THydrogen-bonded Turntrans-87.6-29.4176.7-59.8-78.7000111.9V195 R196 I200 V205V195-F198 WeakPolarHBondContact O-CA 3.17Å; V195-F198 PolarHBondContact O-N 2.8Å; R196-F198 VanDerWaalsContact C-N 3.29Å; F198-I200 PolarHBondContact O-N 2.96Å; F198-V205 HydrophobicContact CB-CG2 3.98Å
199V46.4Very low66.8Low58 Ų5883.3 Ų83.335%0.35247%0.467SS..  trans-78.873.4173.6-1720000109.8V195 R196 V205V195-V199 HydrophobicContact CB-CG2 4.39Å; V195-V199 WeakPolarHBondContact O-CG2 3.37Å; V195-V199 PolarHBondContact O-N 2.88Å; R196-V199 CarbonylContact O-C 3.59Å; R196-V199 PolarHBondContact O-N 3.2Å; V199-V205 HydrophobicContact CG2-CB 3.9Å; V199-V205 HydrophobicContact CG2-CG2 4.15Å
200I52.6Low67Low112 Ų11281 Ų8157%0.57445%0.454SS*.  trans-67.6147.8147.3-57.4175.3000105F198 K202 N203F198-I200 PolarHBondContact O-N 2.96Å; I200-K202 HydrophobicContact CG2-CB 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.46Å; I200-K202 PolarHBondContact O-N 2.86Å; I200-N203 PolarHBondContact O-N 3.08Å
201A57.7Low67.8Low107 Ų10780.4 Ų80.488%0.88444%0.437SS*.THydrogen-bonded Turntrans-53-4.5176.200000115.1
202K61.9Low68.8Low167 Ų16780.9 Ų80.973%0.72644%0.436SS*.THydrogen-bonded Turntrans-98.8-9.1176.7-65.6-169.7174.2-170.50115.3I200I200-K202 HydrophobicContact CG2-CB 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.46Å; I200-K202 PolarHBondContact O-N 2.86Å
203N65.1Low70.2Confident64 Ų6475.8 Ų75.834%0.34241%0.408SS..SBendtrans-145.972.9-177.8-62.481.1000109.2I200 D249I200-N203 PolarHBondContact O-N 3.08Å; N203-D249 PolarHBondContact ND2-OD2 2.82Å
204P78.7Confident71.8Confident38 Ų3876.3 Ų76.325%0.24741%0.405CS..  trans-55.5143.2175.423-33.9000111.3I248 D249P204-I248 CarbonylContact O-C 3.53Å; P204-I248 VanDerWaalsContact O-CA 3.31Å; P204-I248 WeakPolarHBondContact O-CA 3.49Å; P204-D249 PolarHBondContact O-N 3.32Å
205V84.9Confident73Confident28 Ų2875.7 Ų75.717%0.1743%0.427CS..EExtended strand (participates in β ladder)trans-122116.3172.7177.30000106.7V195 F198 V199 L207 L247 I248V195-V205 HydrophobicContact CG1-CG1 4.23Å; F198-V205 HydrophobicContact CB-CG2 3.98Å; V199-V205 HydrophobicContact CG2-CB 3.9Å; V199-V205 HydrophobicContact CG2-CG2 4.15Å; V205-L207 HydrophobicContact CG1-CD2 4.16Å; V205-L207 HydrophobicContact CG1-CG 4.38Å; V205-L247 WeakPolarHBondContact CA-O 3.35Å; V205-I248 HydrophobicContact CG1-CG1 4.37Å; V205-I248 HydrophobicContact CG2-CG1 4.31Å; V205-I248 HydrophobicContact CG2-CG2 4.18Å
206I86.1Confident74.1Confident54 Ų5475 Ų7528%0.27742%0.421SS..EExtended strand (participates in β ladder)trans-119.2123.7-175.3-58.5174.4000107.9I208 L247 E254I206-I208 HydrophobicContact CG2-CD1 3.99Å; I206-I208 HydrophobicContact CG2-CG1 3.76Å; I206-L247 HydrophobicContact CB-CB 4.21Å; I206-L247 PolarHBondContact N-O 3.43Å; I206-L247 PolarHBondContact O-N 3.27Å; I206-E254 HydrophobicContact CD1-CB 4.46Å; I206-E254 HydrophobicContact CD1-CG 3.26Å; I206-E254 HydrophobicContact CG2-CG 4.42Å
207L90.4Very high75.5Confident58 Ų5871.1 Ų71.130%0.30441%0.407SS..EExtended strand (participates in β ladder)trans-115.9114.2-177.8-56.9179.3000107.7P193 V195 V205 F211 V246P193-L207 HydrophobicContact CG-CD1 4.09Å; V195-L207 HydrophobicContact CG1-CD1 3.92Å; V205-L207 HydrophobicContact CG1-CD2 4.16Å; V205-L207 HydrophobicContact CG1-CG 4.38Å; L207-F211 HydrophobicContact CB-CB 4.25Å; L207-F211 HydrophobicContact CB-CD1 3.77Å; L207-F211 HydrophobicContact CB-CD2 4.24Å; L207-F211 HydrophobicContact CB-CE1 4.15Å; L207-F211 HydrophobicContact CB-CG 3.84Å; L207-F211 HydrophobicContact CD1-CD2 4.17Å; L207-F211 HydrophobicContact CD1-CE1 4.29Å; L207-F211 HydrophobicContact CD1-CE2 3.86Å; L207-F211 HydrophobicContact CD1-CZ 3.93Å; L207-F211 HydrophobicContact CD2-CB 4.48Å; L207-F211 HydrophobicContact CD2-CD2 3.87Å; L207-F211 HydrophobicContact CD2-CE2 4.34Å; L207-F211 HydrophobicContact CD2-CG 4.18Å; L207-F211 HydrophobicContact CG-CD2 4.32Å; L207-F211 HydrophobicContact CG-CG 4.41Å; L207-V246 HydrophobicContact CD2-CB 4.24Å; L207-V246 HydrophobicContact CD2-CG1 3.92Å; L207-V246 HydrophobicContact CD2-CG2 3.89Å
208I90.1Very high77Confident24 Ų2474.3 Ų74.312%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-116136.5-174.5-47.6-179.6000109.5I206 F211 G244 A245 L247 V257 I261I206-I208 HydrophobicContact CG2-CD1 3.99Å; I206-I208 HydrophobicContact CG2-CG1 3.76Å; I208-F211 PolarHBondContact O-N 3.17Å; I208-G244 CarbonylContact O-C 3.52Å; I208-G244 WeakPolarHBondContact O-CA 3.25Å; I208-A245 PolarHBondContact N-O 3.16Å; I208-A245 PolarHBondContact O-N 3.5Å; I208-L247 HydrophobicContact CD1-CD1 3.85Å; I208-V257 HydrophobicContact CB-CG1 4.03Å; I208-V257 HydrophobicContact CD1-CB 3.94Å; I208-V257 HydrophobicContact CD1-CG1 3.76Å; I208-V257 HydrophobicContact CG1-CG1 4.44Å; I208-V257 HydrophobicContact CG2-CG1 4.01Å; I208-I261 HydrophobicContact CB-CD1 4.46Å; I208-I261 HydrophobicContact CG2-CD1 3.65Å
209G89.5Confident78.7Confident44 Ų4472.2 Ų72.245%0.45442%0.424SS..EExtended strand (participates in β ladder)trans55-137174.200000114.1F211 Q214G209-F211 WeakPolarHBondContact O-CD1 3.42Å; G209-F211 PolarHBondContact O-N 2.81Å; G209-Q214 PolarHBondContact O-NE2 3.3Å
210C89.2Confident80.9Confident33 Ų3372.4 Ų72.422%0.22342%0.421CS..SBendtrans-75.848.1175.3-68.40000112.9N212 G213 Q214 L216 L236 Q243C210-N212 PolarHBondContact O-N 3.43Å; C210-G213 PolarHBondContact O-N 2.88Å; C210-Q214 PolarHBondContact O-OE1 3.02Å; C210-Q214 VanDerWaalsContact O-OE1 3.09Å; C210-Q214 PolarHBondContact SG-O 2.92Å; C210-L216 HydrophobicContact CB-CD1 3.94Å; C210-L216 HydrophobicContact CB-CD2 3.84Å; C210-L216 HydrophobicContact CB-CG 3.82Å; C210-L236 WeakPolarHBondContact O-CD1 3.37Å; C210-Q243 HydrophobicContact CB-CB 4.33Å; C210-Q243 WeakPolarHBondContact CB-O 3.31Å; C210-Q243 PolarHBondContact N-O 3.31Å
211F89.8Confident82.7Confident41 Ų4171.9 Ų71.918%0.1842%0.416CS..THydrogen-bonded Turntrans-52.4-28.9-171.666.7-93.6000116.5L207 I208 G209 Q214 A245 V246L207-F211 HydrophobicContact CB-CB 4.25Å; L207-F211 HydrophobicContact CB-CD1 3.77Å; L207-F211 HydrophobicContact CB-CD2 4.24Å; L207-F211 HydrophobicContact CB-CE1 4.15Å; L207-F211 HydrophobicContact CB-CG 3.84Å; L207-F211 HydrophobicContact CD1-CD2 4.17Å; L207-F211 HydrophobicContact CD1-CE1 4.29Å; L207-F211 HydrophobicContact CD1-CE2 3.86Å; L207-F211 HydrophobicContact CD1-CZ 3.93Å; L207-F211 HydrophobicContact CD2-CB 4.48Å; L207-F211 HydrophobicContact CD2-CD2 3.87Å; L207-F211 HydrophobicContact CD2-CE2 4.34Å; L207-F211 HydrophobicContact CD2-CG 4.18Å; L207-F211 HydrophobicContact CG-CD2 4.32Å; L207-F211 HydrophobicContact CG-CG 4.41Å; I208-F211 PolarHBondContact O-N 3.17Å; G209-F211 WeakPolarHBondContact O-CD1 3.42Å; G209-F211 PolarHBondContact O-N 2.81Å; F211-Q214 VanDerWaalsContact CE1-NE2 3.34Å; F211-A245 WeakPolarHBondContact CB-O 3.47Å; F211-V246 HydrophobicContact CB-CG2 4.02Å; F211-V246 HydrophobicContact CD2-CG2 4.22Å
212N86Confident84.4Confident101 Ų10169.1 Ų69.154%0.5439%0.394SS..THydrogen-bonded Turntrans-108.914.6178.671.86000113C210 Q214C210-N212 PolarHBondContact O-N 3.43Å; N212-Q214 VanDerWaalsContact C-N 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CG 3.03Å; N212-Q214 PolarHBondContact OD1-N 2.85Å; N212-Q214 PolarHBondContact OD1-OE1 3.03Å
213G85.2Confident85.7Confident15 Ų1563 Ų6316%0.15537%0.369CS..  trans79.210.5-178.400000113.4C210 G215 L216C210-G213 PolarHBondContact O-N 2.88Å; G213-G215 PolarHBondContact O-N 2.91Å; G213-L216 WeakPolarHBondContact O-CB 3.36Å; G213-L216 PolarHBondContact O-N 3.09Å
214Q83.5Confident87Confident76 Ų7663.3 Ų63.336%0.35537%0.373SS..THydrogen-bonded Turntrans-58.8122.6-179.666.6-74.941.800111.6G209 C210 F211 N212 L216G209-Q214 PolarHBondContact O-NE2 3.3Å; C210-Q214 PolarHBondContact O-OE1 3.02Å; C210-Q214 VanDerWaalsContact O-OE1 3.09Å; C210-Q214 PolarHBondContact SG-O 2.92Å; F211-Q214 VanDerWaalsContact CE1-NE2 3.34Å; N212-Q214 VanDerWaalsContact C-N 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CG 3.03Å; N212-Q214 PolarHBondContact OD1-N 2.85Å; N212-Q214 PolarHBondContact OD1-OE1 3.03Å; Q214-L216 PolarHBondContact O-N 2.95Å
215G79.6Confident87.4Confident87 Ų8763.6 Ų63.690%0.89737%0.369SS*.THydrogen-bonded Turntrans74.12-18000000114.9G213G213-G215 PolarHBondContact O-N 2.91Å
216L81.9Confident87.5Confident28 Ų2867.8 Ų67.815%0.14739%0.389CS..  trans-79.8156.5172.2-57-172.3000110.8C210 G213 Q214 H220 L236 Q243C210-L216 HydrophobicContact CB-CD1 3.94Å; C210-L216 HydrophobicContact CB-CD2 3.84Å; C210-L216 HydrophobicContact CB-CG 3.82Å; G213-L216 WeakPolarHBondContact O-CB 3.36Å; G213-L216 PolarHBondContact O-N 3.09Å; Q214-L216 PolarHBondContact O-N 2.95Å; L216-H220 HydrophobicContact CB-CB 4.25Å; L216-H220 HydrophobicContact CD1-CB 4.15Å; L216-L236 HydrophobicContact CD1-CB 4.23Å; L216-L236 HydrophobicContact CD1-CD1 4.02Å; L216-Q243 HydrophobicContact CD1-CB 3.66Å; L216-Q243 HydrophobicContact CD1-CG 4.08Å; L216-Q243 HydrophobicContact CD2-CB 3.82Å; L216-Q243 HydrophobicContact CD2-CG 3.92Å; L216-Q243 HydrophobicContact CG-CB 4.4Å
217R81Confident87.4Confident146 Ų14666.3 Ų66.355%0.55139%0.385SS*.  trans-71.8155.1171.7-67.6-172.9-173.4168.7-0.4110.2D219 H220 R238R217-D219 WeakPolarHBondContact CB-OD1 3.42Å; R217-D219 PolarHBondContact O-N 2.79Å; R217-D219 VanDerWaalsContact O-N 3.13Å; R217-H220 PolarHBondContact O-N 2.68Å; R217-H220 PolarHBondContact O-ND1 3.24Å; R217-R238 VanDerWaalsContact NH1-NH2 3.14Å
218P83.8Confident87Confident133 Ų13369.7 Ų69.786%0.86441%0.412SS*.THydrogen-bonded Turntrans-62.9-17.4-177.6-23.834.7000115.5H220P218-H220 VanDerWaalsContact C-N 3.35Å
219D89.9Confident86.4Confident102 Ų10272.5 Ų72.555%0.54545%0.447SS..THydrogen-bonded Turntrans-89.87-179.863-28.6000113.9R217R217-D219 WeakPolarHBondContact CB-OD1 3.42Å; R217-D219 PolarHBondContact O-N 2.79Å; R217-D219 VanDerWaalsContact O-N 3.13Å
220H91.4Very high86Confident62 Ų6277.1 Ų77.129%0.28746%0.456SS..  trans-61.7152.3171.173.9-81.8000111.2L216 R217 P218 F237 R238L216-H220 HydrophobicContact CB-CB 4.25Å; L216-H220 HydrophobicContact CD1-CB 4.15Å; R217-H220 PolarHBondContact O-N 2.68Å; R217-H220 PolarHBondContact O-ND1 3.24Å; P218-H220 VanDerWaalsContact C-N 3.35Å; H220-F237 WeakPolarHBondContact CA-O 3.4Å; H220-F237 WeakPolarHBondContact CB-O 3.17Å; H220-R238 HydrophobicContact CB-CB 4.36Å
221E91.8Very high85.9Confident101 Ų10177 Ų7747%0.47245%0.453SS..EExtended strand (participates in β ladder)trans-107.2157.2-180-62.2-179.6-91.600110.4L236 F237 K271E221-L236 CarbonylContact O-C 3.53Å; E221-L236 WeakPolarHBondContact O-CA 3.3Å; E221-F237 HydrophobicContact CB-CB 4.47Å; E221-F237 PolarHBondContact N-O 3.45Å; E221-F237 PolarHBondContact O-N 2.91Å; E221-K271 IonicContact OE1-NZ 2.73Å; E221-K271 PolarHBondContact OE1-NZ 3.07Å; E221-K271 IonicContact OE2-NZ 3.07Å; E221-K271 PolarHBondContact OE2-NZ 3.06Å
222A92.5Very high85.8Confident50 Ų5078.4 Ų78.441%0.41346%0.457SS..EExtended strand (participates in β ladder)trans-130.4130.6172.800000109.2I235 L236A222-I235 CarbonylContact C-O 3.56Å; A222-I235 VanDerWaalsContact CA-O 3.31Å; A222-I235 WeakPolarHBondContact CA-O 3.11Å; A222-L236 HydrophobicContact CB-CD2 3.45Å; A222-L236 VanDerWaalsContact CB-CD2 3.45Å
223L90.5Very high86Confident38 Ų3873.6 Ų73.620%0.19943%0.432CS..EExtended strand (participates in β ladder)trans-102138.6162.6-60.6177.9000108.4K234 I235 F237 K271 L275L223-K234 WeakPolarHBondContact O-CA 3.09Å; L223-I235 PolarHBondContact N-O 3.14Å; L223-I235 PolarHBondContact O-N 2.97Å; L223-F237 HydrophobicContact CB-CE2 3.63Å; L223-F237 HydrophobicContact CB-CZ 4.28Å; L223-F237 HydrophobicContact CD1-CD2 4.5Å; L223-F237 HydrophobicContact CD1-CE2 3.65Å; L223-F237 HydrophobicContact CD1-CZ 3.79Å; L223-F237 HydrophobicContact CG-CD2 4.12Å; L223-F237 HydrophobicContact CG-CE2 3.45Å; L223-F237 VanDerWaalsContact CG-CE2 3.45Å; L223-F237 HydrophobicContact CG-CZ 4.11Å; L223-K271 HydrophobicContact CD1-CG 3.8Å; L223-K271 WeakPolarHBondContact CD1-O 3.43Å; L223-L275 HydrophobicContact CB-CD1 3.38Å; L223-L275 HydrophobicContact CB-CG 4.02Å; L223-L275 HydrophobicContact CD1-CG 4.45Å
224V91.8Very high86.5Confident70 Ų7075.6 Ų75.642%0.42444%0.436SS..EExtended strand (participates in β ladder)trans-131.9128.3-178-175.90000109.5I226 Y232 I233 K234V224-I226 HydrophobicContact CG1-CD1 4.1Å; V224-I226 HydrophobicContact CG1-CG1 3.8Å; V224-Y232 HydrophobicContact CG1-CE2 3.85Å; V224-I233 CarbonylContact C-O 3.59Å; V224-I233 VanDerWaalsContact CA-O 3.24Å; V224-I233 WeakPolarHBondContact CA-O 3.15Å; V224-K234 HydrophobicContact CG2-CB 4.17Å; V224-K234 HydrophobicContact CG2-CD 4.45Å; V224-K234 HydrophobicContact CG2-CG 4.01Å
225R87Confident86.9Confident44 Ų4472 Ų7217%0.16642%0.419CS..EExtended strand (participates in β ladder)trans-119133.1168.1-179.4175.286.5-169.17.5108.4E231 I233 L275 P277R225-E231 IonicContact CZ-OE1 2.67Å; R225-E231 IonicContact CZ-OE2 3.03Å; R225-E231 IonicContact NE-OE1 2.65Å; R225-E231 PolarHBondContact NE-OE1 2.87Å; R225-E231 IonicContact NH2-OE1 2.76Å; R225-E231 PolarHBondContact NH2-OE1 2.97Å; R225-E231 IonicContact NH2-OE2 2.75Å; R225-E231 PolarHBondContact NH2-OE2 3.41Å; R225-I233 HydrophobicContact CB-CB 4.33Å; R225-I233 PolarHBondContact N-O 3.28Å; R225-I233 PolarHBondContact O-N 3.04Å; R225-L275 HydrophobicContact CB-CB 4.36Å; R225-L275 HydrophobicContact CB-CD1 4Å; R225-L275 WeakPolarHBondContact CD-O 2.99Å; R225-L275 PolarHBondContact NH1-O 3.22Å; R225-P277 VanDerWaalsContact NH1-CA 3.34Å; R225-P277 VanDerWaalsContact NH1-N 3.15Å
226I87.7Confident87.6Confident117 Ų11767.9 Ų67.960%0.638%0.376SS*.EExtended strand (participates in β ladder)trans-130.1118.6178.5-48.7-177000107.3V224 Y232V224-I226 HydrophobicContact CG1-CD1 4.1Å; V224-I226 HydrophobicContact CG1-CG1 3.8Å; I226-Y232 HydrophobicContact CD1-CD2 3.94Å; I226-Y232 HydrophobicContact CD1-CE2 3.88Å; I226-Y232 HydrophobicContact CG1-CD2 3.73Å; I226-Y232 HydrophobicContact CG1-CE2 4Å; I226-Y232 HydrophobicContact CG2-CD2 4.5Å
227A84Confident88.1Confident23 Ų2366.6 Ų66.619%0.1937%0.37CS..EExtended strand (participates in β ladder)trans-106.7115.2165.100000107.5G229 E230 E231A227-G229 PolarHBondContact O-N 2.79Å; A227-E230 HydrophobicContact CB-CB 3.76Å; A227-E230 PolarHBondContact O-N 2.79Å; A227-E231 HydrophobicContact CB-CG 3.66Å; A227-E231 PolarHBondContact N-O 2.85Å; A227-E231 PolarHBondContact O-N 3.08Å; A227-E231 VanDerWaalsContact O-N 3.08Å; A227-E231 VanDerWaalsContact O-O 3.1Å
228C80.4Confident88.6Confident129 Ų12962 Ų6287%0.87235%0.352SS*.THydrogen-bonded Turntrans-61113.7-168.8-171.10000111.3E230C228-E230 PolarHBondContact O-N 3.04Å
229G77.4Confident89Confident82 Ų8260.6 Ų60.685%0.84534%0.338SS*.THydrogen-bonded Turntrans76.34.4-178.800000114.9A227A227-G229 PolarHBondContact O-N 2.79Å
230E81.9Confident89.1Confident141 Ų14156.3 Ų56.366%0.65932%0.318SS*.THydrogen-bonded Turntrans-113.1-51.8179.6-68.1177.7-178.200111.1A227 C228 D249A227-E230 HydrophobicContact CB-CB 3.76Å; A227-E230 PolarHBondContact O-N 2.79Å; C228-E230 PolarHBondContact O-N 3.04Å; E230-D249 WeakPolarHBondContact O-CB 3.31Å; E230-D249 VanDerWaalsContact O-CG 3.22Å
231E86.5Confident89.2Confident31 Ų3156.2 Ų56.215%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-161.8156.5-177.848.8161.9-150.400112.4R225 A227 I233 I248 D249 T251R225-E231 IonicContact CZ-OE1 2.67Å; R225-E231 IonicContact CZ-OE2 3.03Å; R225-E231 IonicContact NE-OE1 2.65Å; R225-E231 PolarHBondContact NE-OE1 2.87Å; R225-E231 IonicContact NH2-OE1 2.76Å; R225-E231 PolarHBondContact NH2-OE1 2.97Å; R225-E231 IonicContact NH2-OE2 2.75Å; R225-E231 PolarHBondContact NH2-OE2 3.41Å; A227-E231 HydrophobicContact CB-CG 3.66Å; A227-E231 PolarHBondContact N-O 2.85Å; A227-E231 PolarHBondContact O-N 3.08Å; A227-E231 VanDerWaalsContact O-N 3.08Å; A227-E231 VanDerWaalsContact O-O 3.1Å; E231-I233 WeakPolarHBondContact OE2-CD1 3.43Å; E231-I248 WeakPolarHBondContact CA-O 3.43Å; E231-D249 HydrophobicContact CB-CB 4.32Å; E231-T251 HydrophobicContact CB-CG2 4.45Å
232Y89.3Confident89.4Confident71 Ų7151.6 Ų51.628%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-130.6125.4166.1173.4-80.4000109.6V224 I226 K234 V246 I248V224-Y232 HydrophobicContact CG1-CE2 3.85Å; I226-Y232 HydrophobicContact CD1-CD2 3.94Å; I226-Y232 HydrophobicContact CD1-CE2 3.88Å; I226-Y232 HydrophobicContact CG1-CD2 3.73Å; I226-Y232 HydrophobicContact CG1-CE2 4Å; I226-Y232 HydrophobicContact CG2-CD2 4.5Å; Y232-K234 HydrophobicContact CE1-CB 3.58Å; Y232-V246 HydrophobicContact CD1-CG1 4.23Å; Y232-V246 HydrophobicContact CE1-CB 4.29Å; Y232-V246 HydrophobicContact CE1-CG1 4.11Å; Y232-I248 HydrophobicContact CD1-CD1 3.88Å; Y232-I248 HydrophobicContact CD1-CG1 4.16Å; Y232-I248 HydrophobicContact CG-CD1 4.25Å; Y232-I248 PolarHBondContact N-O 3.09Å; Y232-I248 PolarHBondContact O-N 3.32Å
233I90.2Very high89.5Confident0 Ų051.2 Ų51.20%028%0.284CS..EExtended strand (participates in β ladder)trans-124.3124.5179.3-56.6179.9000107.8V224 R225 E231 I235 L247 T251 L253 L275V224-I233 CarbonylContact C-O 3.59Å; V224-I233 VanDerWaalsContact CA-O 3.24Å; V224-I233 WeakPolarHBondContact CA-O 3.15Å; R225-I233 HydrophobicContact CB-CB 4.33Å; R225-I233 PolarHBondContact N-O 3.28Å; R225-I233 PolarHBondContact O-N 3.04Å; E231-I233 WeakPolarHBondContact OE2-CD1 3.43Å; I233-I235 HydrophobicContact CG2-CD1 4.13Å; I233-I235 HydrophobicContact CG2-CG1 3.92Å; I233-L247 HydrophobicContact CB-CD2 4.44Å; I233-L247 HydrophobicContact CG1-CD2 4.43Å; I233-L247 HydrophobicContact CG2-CD2 3.75Å; I233-T251 HydrophobicContact CD1-CG2 4.09Å; I233-T251 HydrophobicContact CG1-CG2 3.72Å; I233-L253 HydrophobicContact CD1-CD1 3.73Å; I233-L253 HydrophobicContact CD1-CG 4.44Å; I233-L253 HydrophobicContact CG2-CD1 3.95Å; I233-L275 HydrophobicContact CB-CD2 4.44Å; I233-L275 HydrophobicContact CG2-CD2 3.52Å
234K93.9Very high89.6Confident56 Ų5649.4 Ų49.424%0.24327%0.274CS..EExtended strand (participates in β ladder)trans-129.9118.9168.2171.3178.8175.1-174.70108.3L223 V224 Y232 L236 A245 V246L223-K234 WeakPolarHBondContact O-CA 3.09Å; V224-K234 HydrophobicContact CG2-CB 4.17Å; V224-K234 HydrophobicContact CG2-CD 4.45Å; V224-K234 HydrophobicContact CG2-CG 4.01Å; Y232-K234 HydrophobicContact CE1-CB 3.58Å; K234-L236 VanDerWaalsContact CE-CD2 3.5Å; K234-L236 HydrophobicContact CG-CD2 4.35Å; K234-A245 CarbonylContact O-C 3.58Å; K234-A245 WeakPolarHBondContact O-CA 3.32Å; K234-A245 WeakPolarHBondContact O-CB 3.46Å; K234-V246 HydrophobicContact CB-CB 4.3Å; K234-V246 PolarHBondContact N-O 2.9Å; K234-V246 PolarHBondContact O-N 3.41Å
235I93.5Very high89.7Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-114.7133.4175.9-55.2178.3000108A222 L223 I233 F237 V242 A245 L253 V257 L274 L275A222-I235 CarbonylContact C-O 3.56Å; A222-I235 VanDerWaalsContact CA-O 3.31Å; A222-I235 WeakPolarHBondContact CA-O 3.11Å; L223-I235 PolarHBondContact N-O 3.14Å; L223-I235 PolarHBondContact O-N 2.97Å; I233-I235 HydrophobicContact CG2-CD1 4.13Å; I233-I235 HydrophobicContact CG2-CG1 3.92Å; I235-F237 HydrophobicContact CB-CE1 4.31Å; I235-F237 HydrophobicContact CB-CE2 3.72Å; I235-F237 HydrophobicContact CB-CZ 3.5Å; I235-F237 VanDerWaalsContact CB-CZ 3.5Å; I235-F237 HydrophobicContact CG2-CD1 4.29Å; I235-F237 HydrophobicContact CG2-CD2 4.47Å; I235-F237 HydrophobicContact CG2-CE1 3.53Å; I235-F237 HydrophobicContact CG2-CE2 3.72Å; I235-F237 HydrophobicContact CG2-CZ 3.22Å; I235-F237 WeakPolarHBondContact O-CD2 3.37Å; I235-F237 WeakPolarHBondContact O-CE2 3.3Å; I235-V242 HydrophobicContact CG2-CG1 3.65Å; I235-V242 HydrophobicContact CG2-CG2 4.22Å; I235-A245 HydrophobicContact CG1-CB 4.02Å; I235-L253 HydrophobicContact CD1-CD1 4.18Å; I235-V257 HydrophobicContact CD1-CG2 3.91Å; I235-V257 HydrophobicContact CG1-CG2 4.45Å; I235-L274 HydrophobicContact CD1-CD2 3.58Å; I235-L274 HydrophobicContact CD1-CG 4.11Å; I235-L274 HydrophobicContact CG2-CD2 4.3Å; I235-L275 HydrophobicContact CD1-CD2 3.68Å; I235-L275 HydrophobicContact CG1-CD2 4.18Å
236L93.6Very high89.9Confident1 Ų145.1 Ų45.11%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-100.4136.7176.3-60.6-169.2000110.3C210 L216 E221 A222 K234 Q243 G244C210-L236 WeakPolarHBondContact O-CD1 3.37Å; L216-L236 HydrophobicContact CD1-CB 4.23Å; L216-L236 HydrophobicContact CD1-CD1 4.02Å; E221-L236 CarbonylContact O-C 3.53Å; E221-L236 WeakPolarHBondContact O-CA 3.3Å; A222-L236 HydrophobicContact CB-CD2 3.45Å; A222-L236 VanDerWaalsContact CB-CD2 3.45Å; K234-L236 VanDerWaalsContact CE-CD2 3.5Å; K234-L236 HydrophobicContact CG-CD2 4.35Å; L236-Q243 PolarHBondContact O-N 3.42Å; L236-G244 PolarHBondContact N-O 2.91Å
237F92Very high90Very high2 Ų239.5 Ų39.51%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-128.5151.7-176.1-51.3-88.6000110.6H220 E221 L223 I235 Y241 V242 I267 L274H220-F237 WeakPolarHBondContact CA-O 3.4Å; H220-F237 WeakPolarHBondContact CB-O 3.17Å; E221-F237 HydrophobicContact CB-CB 4.47Å; E221-F237 PolarHBondContact N-O 3.45Å; E221-F237 PolarHBondContact O-N 2.91Å; L223-F237 HydrophobicContact CB-CE2 3.63Å; L223-F237 HydrophobicContact CB-CZ 4.28Å; L223-F237 HydrophobicContact CD1-CD2 4.5Å; L223-F237 HydrophobicContact CD1-CE2 3.65Å; L223-F237 HydrophobicContact CD1-CZ 3.79Å; L223-F237 HydrophobicContact CG-CD2 4.12Å; L223-F237 HydrophobicContact CG-CE2 3.45Å; L223-F237 VanDerWaalsContact CG-CE2 3.45Å; L223-F237 HydrophobicContact CG-CZ 4.11Å; I235-F237 HydrophobicContact CB-CE1 4.31Å; I235-F237 HydrophobicContact CB-CE2 3.72Å; I235-F237 HydrophobicContact CB-CZ 3.5Å; I235-F237 VanDerWaalsContact CB-CZ 3.5Å; I235-F237 HydrophobicContact CG2-CD1 4.29Å; I235-F237 HydrophobicContact CG2-CD2 4.47Å; I235-F237 HydrophobicContact CG2-CE1 3.53Å; I235-F237 HydrophobicContact CG2-CE2 3.72Å; I235-F237 HydrophobicContact CG2-CZ 3.22Å; I235-F237 WeakPolarHBondContact O-CD2 3.37Å; I235-F237 WeakPolarHBondContact O-CE2 3.3Å; F237-Y241 CarbonylContact C-O 3.59Å; F237-Y241 VanDerWaalsContact CA-O 3.31Å; F237-Y241 WeakPolarHBondContact CA-O 3.19Å; F237-V242 HydrophobicContact CD1-CG2 4.04Å; F237-V242 HydrophobicContact CE1-CG2 3.81Å; F237-I267 HydrophobicContact CD1-CD1 3.49Å; F237-I267 VanDerWaalsContact CD1-CD1 3.49Å; F237-I267 HydrophobicContact CD1-CG1 4.43Å; F237-I267 HydrophobicContact CE1-CD1 3.24Å; F237-I267 HydrophobicContact CZ-CD1 4.46Å; F237-L274 HydrophobicContact CE1-CD2 3.63Å; F237-L274 HydrophobicContact CZ-CD2 3.72Å
238R91.3Very high90.3Very high49 Ų4941 Ų4119%0.18523%0.228CC..EExtended strand (participates in β ladder)trans-152.7135.6167.2-175.1172.8164.2-119-35.7110.1R217 H220 G240 Y241 Q243R217-R238 VanDerWaalsContact NH1-NH2 3.14Å; H220-R238 HydrophobicContact CB-CB 4.36Å; R238-G240 PolarHBondContact O-N 3.38Å; R238-G240 VanDerWaalsContact O-N 3.09Å; R238-Y241 PolarHBondContact N-O 3.37Å; R238-Y241 PolarHBondContact O-N 2.87Å; R238-Q243 HydrophobicContact CB-CG 3.77Å
239D92.3Very high90.5Very high103 Ų10336 Ų3655%0.55119%0.193SC*.THydrogen-bonded Turntrans53.430.7176.3-57.8-40.6000113Y241D239-Y241 HydrophobicContact CB-CD2 4.41Å; D239-Y241 WeakPolarHBondContact O-CD2 3.37Å; D239-Y241 WeakPolarHBondContact O-CE2 3.36Å
240G91.9Very high90.9Very high12 Ų1240.3 Ų40.312%0.12419%0.191CC..THydrogen-bonded Turntrans90.3-3.4-177.200000115.9R238 I267 S268R238-G240 PolarHBondContact O-N 3.38Å; R238-G240 VanDerWaalsContact O-N 3.09Å; G240-I267 WeakPolarHBondContact O-CG1 3.15Å; G240-I267 PolarHBondContact O-N 3.17Å; G240-S268 VanDerWaalsContact CA-OG 3.25Å; G240-S268 WeakPolarHBondContact CA-OG 3.3Å
241Y94.4Very high91.1Very high60 Ų6034.2 Ų34.224%0.23516%0.163CC..EExtended strand (participates in β ladder)trans-113.6140.6-174.6-57.9-88.3000112.1F237 R238 D239 Q243 H264 M265 D266F237-Y241 CarbonylContact C-O 3.59Å; F237-Y241 VanDerWaalsContact CA-O 3.31Å; F237-Y241 WeakPolarHBondContact CA-O 3.19Å; R238-Y241 PolarHBondContact N-O 3.37Å; R238-Y241 PolarHBondContact O-N 2.87Å; D239-Y241 HydrophobicContact CB-CD2 4.41Å; D239-Y241 WeakPolarHBondContact O-CD2 3.37Å; D239-Y241 WeakPolarHBondContact O-CE2 3.36Å; Y241-Q243 PolarHBondContact O-N 3.24Å; Y241-Q243 PolarHBondContact O-NE2 3.4Å; Y241-H264 AromaticContact CD1-CD2 3.89Å; Y241-H264 AromaticContact CD1-CE1 3.65Å; Y241-H264 AromaticContact CD1-CG 3.87Å; Y241-H264 AromaticContact CD1-ND1 3.73Å; Y241-H264 AromaticContact CD1-NE2 3.8Å; Y241-H264 WeakPolarHBondContact CD1-O 2.97Å; Y241-H264 AromaticContact CE1-CD2 3.63Å; Y241-H264 AromaticContact CE1-NE2 3.68Å; Y241-H264 WeakPolarHBondContact CE1-O 3.42Å; Y241-H264 AromaticContact CG-CE1 3.65Å; Y241-H264 AromaticContact CZ-NE2 3.82Å; Y241-M265 VanDerWaalsContact CD1-C 3.46Å; Y241-M265 VanDerWaalsContact CD1-O 3.29Å; Y241-M265 WeakPolarHBondContact CD1-O 3.13Å; Y241-D266 HydrophobicContact CD1-CB 4.43Å; Y241-D266 HydrophobicContact CE1-CB 3.75Å
242V94.8Very high91.1Very high4 Ų435.5 Ų35.52%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-64.5133.4168.8-175.10000109.7I235 F237 V257 L260 I261 I267 L274I235-V242 HydrophobicContact CG2-CG1 3.65Å; I235-V242 HydrophobicContact CG2-CG2 4.22Å; F237-V242 HydrophobicContact CD1-CG2 4.04Å; F237-V242 HydrophobicContact CE1-CG2 3.81Å; V242-V257 HydrophobicContact CG1-CG1 4.15Å; V242-L260 HydrophobicContact CB-CB 4.11Å; V242-L260 HydrophobicContact CG2-CB 3.85Å; V242-L260 HydrophobicContact CG2-CD1 3.7Å; V242-L260 HydrophobicContact CG2-CG 4.33Å; V242-I261 HydrophobicContact CB-CG1 4.02Å; V242-I261 HydrophobicContact CG1-CD1 3.97Å; V242-I261 HydrophobicContact CG1-CG1 3.7Å; V242-I267 HydrophobicContact CG2-CD1 3.42Å; V242-I267 VanDerWaalsContact CG2-CD1 3.42Å; V242-I267 HydrophobicContact CG2-CG1 4.34Å; V242-L274 HydrophobicContact CG2-CD2 4.4Å
243Q94.5Very high91.1Very high43 Ų4332.9 Ų32.920%0.20118%0.176CC..EExtended strand (participates in β ladder)trans-111.3-30.2178.7-59.1-58.1-55.600112.3C210 L216 L236 R238 Y241C210-Q243 HydrophobicContact CB-CB 4.33Å; C210-Q243 WeakPolarHBondContact CB-O 3.31Å; C210-Q243 PolarHBondContact N-O 3.31Å; L216-Q243 HydrophobicContact CD1-CB 3.66Å; L216-Q243 HydrophobicContact CD1-CG 4.08Å; L216-Q243 HydrophobicContact CD2-CB 3.82Å; L216-Q243 HydrophobicContact CD2-CG 3.92Å; L216-Q243 HydrophobicContact CG-CB 4.4Å; L236-Q243 PolarHBondContact O-N 3.42Å; R238-Q243 HydrophobicContact CB-CG 3.77Å; Y241-Q243 PolarHBondContact O-N 3.24Å; Y241-Q243 PolarHBondContact O-NE2 3.4Å
244G93.2Very high91.1Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans179.9169.6179.100000112.5I208 L236I208-G244 CarbonylContact O-C 3.52Å; I208-G244 WeakPolarHBondContact O-CA 3.25Å; L236-G244 PolarHBondContact N-O 2.91Å
245A93.2Very high90.7Very high0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-149.8153.1178.700000113.4I208 F211 K234 I235 L247 V257I208-A245 PolarHBondContact N-O 3.16Å; I208-A245 PolarHBondContact O-N 3.5Å; F211-A245 WeakPolarHBondContact CB-O 3.47Å; K234-A245 CarbonylContact O-C 3.58Å; K234-A245 WeakPolarHBondContact O-CA 3.32Å; K234-A245 WeakPolarHBondContact O-CB 3.46Å; I235-A245 HydrophobicContact CG1-CB 4.02Å; A245-L247 HydrophobicContact CB-CD2 4.1Å; A245-L247 HydrophobicContact CB-CG 4.2Å; A245-V257 HydrophobicContact CB-CG1 3.73Å; A245-V257 HydrophobicContact CB-CG2 4.36Å
246V92.4Very high90.5Very high23 Ų2340.2 Ų40.214%0.13921%0.212CC..EExtended strand (participates in β ladder)trans-112.3113.4162.1-179.40000106.7L207 F211 Y232 K234 I248L207-V246 HydrophobicContact CD2-CB 4.24Å; L207-V246 HydrophobicContact CD2-CG1 3.92Å; L207-V246 HydrophobicContact CD2-CG2 3.89Å; F211-V246 HydrophobicContact CB-CG2 4.02Å; F211-V246 HydrophobicContact CD2-CG2 4.22Å; Y232-V246 HydrophobicContact CD1-CG1 4.23Å; Y232-V246 HydrophobicContact CE1-CB 4.29Å; Y232-V246 HydrophobicContact CE1-CG1 4.11Å; K234-V246 HydrophobicContact CB-CB 4.3Å; K234-V246 PolarHBondContact N-O 2.9Å; K234-V246 PolarHBondContact O-N 3.41Å; V246-I248 HydrophobicContact CG1-CD1 4.1Å; V246-I248 HydrophobicContact CG1-CG1 3.97Å
247L90Very high90.4Very high0 Ų040.2 Ų40.20%021%0.212CC..EExtended strand (participates in β ladder)trans-114122.6177.4-52.4178.1000107.2V205 I206 I208 I233 A245 T251 L253 E254V205-L247 WeakPolarHBondContact CA-O 3.35Å; I206-L247 HydrophobicContact CB-CB 4.21Å; I206-L247 PolarHBondContact N-O 3.43Å; I206-L247 PolarHBondContact O-N 3.27Å; I208-L247 HydrophobicContact CD1-CD1 3.85Å; I233-L247 HydrophobicContact CB-CD2 4.44Å; I233-L247 HydrophobicContact CG1-CD2 4.43Å; I233-L247 HydrophobicContact CG2-CD2 3.75Å; A245-L247 HydrophobicContact CB-CD2 4.1Å; A245-L247 HydrophobicContact CB-CG 4.2Å; L247-T251 HydrophobicContact CB-CG2 3.84Å; L247-T251 HydrophobicContact CD2-CG2 4.48Å; L247-L253 HydrophobicContact CD1-CB 4.25Å; L247-L253 HydrophobicContact CD2-CB 4.33Å; L247-E254 HydrophobicContact CD1-CB 4.45Å; L247-E254 HydrophobicContact CD1-CG 4.08Å
248I88.9Confident90.3Very high54 Ų5445 Ų4528%0.27723%0.234SC..EExtended strand (participates in β ladder)trans-124.5131.7179.7-54-179.6000107.5P204 V205 E231 Y232 V246P204-I248 CarbonylContact O-C 3.53Å; P204-I248 VanDerWaalsContact O-CA 3.31Å; P204-I248 WeakPolarHBondContact O-CA 3.49Å; V205-I248 HydrophobicContact CG1-CG1 4.37Å; V205-I248 HydrophobicContact CG2-CG1 4.31Å; V205-I248 HydrophobicContact CG2-CG2 4.18Å; E231-I248 WeakPolarHBondContact CA-O 3.43Å; Y232-I248 HydrophobicContact CD1-CD1 3.88Å; Y232-I248 HydrophobicContact CD1-CG1 4.16Å; Y232-I248 HydrophobicContact CG-CD1 4.25Å; Y232-I248 PolarHBondContact N-O 3.09Å; Y232-I248 PolarHBondContact O-N 3.32Å; V246-I248 HydrophobicContact CG1-CD1 4.1Å; V246-I248 HydrophobicContact CG1-CG1 3.97Å
249D86.4Confident90.1Very high23 Ų2345.9 Ų45.912%0.12324%0.243CC..SBendtrans74.2-169.4-171.3-127.9-51.2000114.4N203 P204 E230 E231 T251N203-D249 PolarHBondContact ND2-OD2 2.82Å; P204-D249 PolarHBondContact O-N 3.32Å; E230-D249 WeakPolarHBondContact O-CB 3.31Å; E230-D249 VanDerWaalsContact O-CG 3.22Å; E231-D249 HydrophobicContact CB-CB 4.32Å; D249-T251 PolarHBondContact O-N 3.39Å
250E85.2Confident90.2Very high173 Ų17341 Ų4181%0.80822%0.217SC*.SBendtrans-69.790174.9-68-176.8-175.900110.9
251T86.6Confident90.1Very high13 Ų1342.6 Ų42.68%0.0822%0.222CC..  trans-92.2-27-178.570.90000113.6E231 I233 L247 D249 L253 E254E231-T251 HydrophobicContact CB-CG2 4.45Å; I233-T251 HydrophobicContact CD1-CG2 4.09Å; I233-T251 HydrophobicContact CG1-CG2 3.72Å; L247-T251 HydrophobicContact CB-CG2 3.84Å; L247-T251 HydrophobicContact CD2-CG2 4.48Å; D249-T251 PolarHBondContact O-N 3.39Å; T251-L253 PolarHBondContact O-N 3.19Å; T251-L253 PolarHBondContact OG1-N 3.32Å; T251-E254 PolarHBondContact OG1-OE1 2.77Å
252G86.4Confident89.8Confident59 Ų5945.3 Ų45.361%0.60824%0.238SC*.SBendtrans685.9-17400000114.2E254G252-E254 WeakPolarHBondContact CA-OE2 3.11Å; G252-E254 PolarHBondContact N-OE2 2.82Å; G252-E254 VanDerWaalsContact N-OE2 3.17Å
253L88.9Confident89.6Confident16 Ų1650.1 Ų50.18%0.08426%0.264CS..  trans-101.11.9-177.2-64.2-172.3000113.2I233 I235 L247 T251 V256 V257 L275 L281I233-L253 HydrophobicContact CD1-CD1 3.73Å; I233-L253 HydrophobicContact CD1-CG 4.44Å; I233-L253 HydrophobicContact CG2-CD1 3.95Å; I235-L253 HydrophobicContact CD1-CD1 4.18Å; L247-L253 HydrophobicContact CD1-CB 4.25Å; L247-L253 HydrophobicContact CD2-CB 4.33Å; T251-L253 PolarHBondContact O-N 3.19Å; T251-L253 PolarHBondContact OG1-N 3.32Å; L253-V256 PolarHBondContact O-N 3.48Å; L253-V257 HydrophobicContact CB-CG2 4.27Å; L253-V257 WeakPolarHBondContact O-CB 3.35Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.24Å; L253-V257 PolarHBondContact O-N 2.92Å; L253-L275 HydrophobicContact CD1-CD2 4.42Å; L253-L281 HydrophobicContact CD2-CD1 3.65Å
254E88.9Confident89.3Confident47 Ų4753.6 Ų53.622%0.2228%0.28CS..Hα-helixtrans-58.6-56.1-172.3-62.173.9-164.300111.4I206 L247 T251 G252 E258I206-E254 HydrophobicContact CD1-CB 4.46Å; I206-E254 HydrophobicContact CD1-CG 3.26Å; I206-E254 HydrophobicContact CG2-CG 4.42Å; L247-E254 HydrophobicContact CD1-CB 4.45Å; L247-E254 HydrophobicContact CD1-CG 4.08Å; T251-E254 PolarHBondContact OG1-OE1 2.77Å; G252-E254 WeakPolarHBondContact CA-OE2 3.11Å; G252-E254 PolarHBondContact N-OE2 2.82Å; G252-E254 VanDerWaalsContact N-OE2 3.17Å; E254-E258 WeakPolarHBondContact O-CB 3.16Å; E254-E258 PolarHBondContact O-N 2.88Å
255E86.8Confident89.1Confident144 Ų14456 Ų5667%0.67329%0.292SS*.Hα-helixtrans-68.9-38.5-178.9-63-170.6177.900111.5E258 N259E255-E258 PolarHBondContact O-N 2.92Å; E255-N259 VanDerWaalsContact O-CB 3.3Å; E255-N259 WeakPolarHBondContact O-CB 3.42Å; E255-N259 VanDerWaalsContact O-CG 3.28Å; E255-N259 PolarHBondContact O-N 2.77Å; E255-N259 PolarHBondContact O-ND2 2.67Å; E255-N259 VanDerWaalsContact O-ND2 3.14Å
256V89.2Confident89.1Confident19 Ų1960.4 Ų60.412%0.11532%0.316CS..Hα-helixtrans-60-50.9177.4179.40000110.2L253 N259 L260 L274 L281 F285L253-V256 PolarHBondContact O-N 3.48Å; V256-N259 PolarHBondContact O-N 3.13Å; V256-L260 HydrophobicContact CG1-CD1 3.92Å; V256-L260 HydrophobicContact CG1-CG 4.38Å; V256-L260 WeakPolarHBondContact O-CB 3.4Å; V256-L260 WeakPolarHBondContact O-CG 3.19Å; V256-L260 PolarHBondContact O-N 3.05Å; V256-L274 HydrophobicContact CG1-CD1 4.38Å; V256-L281 HydrophobicContact CG1-CB 4.44Å; V256-L281 HydrophobicContact CG1-CD1 4.36Å; V256-F285 HydrophobicContact CG1-CE2 3.95Å
257V91.3Very high89Confident0 Ų059.5 Ų59.50%031%0.31CS..Hα-helixtrans-65-42.5179.9170.20000111.3I208 I235 V242 A245 L253 N259 L260 I261I208-V257 HydrophobicContact CB-CG1 4.03Å; I208-V257 HydrophobicContact CD1-CB 3.94Å; I208-V257 HydrophobicContact CD1-CG1 3.76Å; I208-V257 HydrophobicContact CG1-CG1 4.44Å; I208-V257 HydrophobicContact CG2-CG1 4.01Å; I235-V257 HydrophobicContact CD1-CG2 3.91Å; I235-V257 HydrophobicContact CG1-CG2 4.45Å; V242-V257 HydrophobicContact CG1-CG1 4.15Å; A245-V257 HydrophobicContact CB-CG1 3.73Å; A245-V257 HydrophobicContact CB-CG2 4.36Å; L253-V257 HydrophobicContact CB-CG2 4.27Å; L253-V257 WeakPolarHBondContact O-CB 3.35Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.24Å; L253-V257 PolarHBondContact O-N 2.92Å; V257-N259 PolarHBondContact O-N 3.22Å; V257-L260 PolarHBondContact O-N 2.78Å; V257-I261 HydrophobicContact CG1-CD1 3.86Å; V257-I261 WeakPolarHBondContact O-CG1 3.06Å; V257-I261 PolarHBondContact O-N 2.86Å; V257-I261 VanDerWaalsContact O-N 3.09Å
258E89.2Confident89Confident102 Ų10263 Ų6348%0.47733%0.334SS..Hα-helixtrans-59.8-47.3177.4-165.7176.9176.900110.9E254 E255 I261 M262E254-E258 WeakPolarHBondContact O-CB 3.16Å; E254-E258 PolarHBondContact O-N 2.88Å; E255-E258 PolarHBondContact O-N 2.92Å; E258-I261 PolarHBondContact O-N 3.28Å; E258-M262 HydrophobicContact CG-CE 3.93Å; E258-M262 HydrophobicContact CG-CG 4.39Å; E258-M262 HydrophobicContact CG-SD 4.26Å; E258-M262 WeakPolarHBondContact O-CB 3.45Å; E258-M262 VanDerWaalsContact O-CG 3.3Å; E258-M262 WeakPolarHBondContact O-CG 3.29Å; E258-M262 PolarHBondContact O-N 3.13Å
259N88.7Confident88.9Confident68 Ų6871.9 Ų71.936%0.36436%0.364SS..Hα-helixtrans-64.6-41.9177.8-75.4-33.8000112.8E255 V256 V257 I261 M262 N263 M265E255-N259 VanDerWaalsContact O-CB 3.3Å; E255-N259 WeakPolarHBondContact O-CB 3.42Å; E255-N259 VanDerWaalsContact O-CG 3.28Å; E255-N259 PolarHBondContact O-N 2.77Å; E255-N259 PolarHBondContact O-ND2 2.67Å; E255-N259 VanDerWaalsContact O-ND2 3.14Å; V256-N259 PolarHBondContact O-N 3.13Å; V257-N259 PolarHBondContact O-N 3.22Å; N259-I261 VanDerWaalsContact C-N 3.28Å; N259-I261 PolarHBondContact O-N 2.87Å; N259-M262 PolarHBondContact O-N 3.39Å; N259-M262 WeakPolarHBondContact OD1-CE 3.31Å; N259-N263 VanDerWaalsContact O-CB 3.3Å; N259-N263 WeakPolarHBondContact O-CB 3.47Å; N259-N263 PolarHBondContact O-N 3.41Å; N259-N263 PolarHBondContact O-ND2 2.75Å; N259-M265 HydrophobicContact CB-CE 4.21Å
260L92.4Very high88.9Confident1 Ų171.7 Ų71.71%0.00536%0.364CS..Hα-helixtrans-57.3-41.7175.9-77.5174.9000112.1V242 V256 V257 H264 M265 I267 L274 F285V242-L260 HydrophobicContact CB-CB 4.11Å; V242-L260 HydrophobicContact CG2-CB 3.85Å; V242-L260 HydrophobicContact CG2-CD1 3.7Å; V242-L260 HydrophobicContact CG2-CG 4.33Å; V256-L260 HydrophobicContact CG1-CD1 3.92Å; V256-L260 HydrophobicContact CG1-CG 4.38Å; V256-L260 WeakPolarHBondContact O-CB 3.4Å; V256-L260 WeakPolarHBondContact O-CG 3.19Å; V256-L260 PolarHBondContact O-N 3.05Å; V257-L260 PolarHBondContact O-N 2.78Å; L260-H264 PolarHBondContact O-N 3.07Å; L260-M265 HydrophobicContact CD2-CB 3.71Å; L260-M265 HydrophobicContact CD2-CE 3.78Å; L260-M265 HydrophobicContact CD2-SD 4.4Å; L260-M265 HydrophobicContact CG-CE 4.28Å; L260-M265 PolarHBondContact O-N 3.39Å; L260-M265 VanDerWaalsContact O-N 3.13Å; L260-I267 HydrophobicContact CD1-CG2 4.26Å; L260-I267 HydrophobicContact CD2-CG2 3.33Å; L260-I267 HydrophobicContact CG-CG2 4.43Å; L260-L274 HydrophobicContact CD1-CD1 3.8Å; L260-L274 HydrophobicContact CD1-CD2 4.34Å; L260-F285 HydrophobicContact CD1-CZ 4.36Å; L260-F285 HydrophobicContact CD2-CE1 3.6Å; L260-F285 HydrophobicContact CD2-CZ 3.56Å; L260-F285 HydrophobicContact CG-CZ 4.17Å
261I91.7Very high88.9Confident46 Ų4665 Ų6524%0.23633%0.332CS..Hα-helixtrans-72.6-50177.6-66.7165.9000110.7I208 V242 V257 E258 N259 N263 H264I208-I261 HydrophobicContact CB-CD1 4.46Å; I208-I261 HydrophobicContact CG2-CD1 3.65Å; V242-I261 HydrophobicContact CB-CG1 4.02Å; V242-I261 HydrophobicContact CG1-CD1 3.97Å; V242-I261 HydrophobicContact CG1-CG1 3.7Å; V257-I261 HydrophobicContact CG1-CD1 3.86Å; V257-I261 WeakPolarHBondContact O-CG1 3.06Å; V257-I261 PolarHBondContact O-N 2.86Å; V257-I261 VanDerWaalsContact O-N 3.09Å; E258-I261 PolarHBondContact O-N 3.28Å; N259-I261 VanDerWaalsContact C-N 3.28Å; N259-I261 PolarHBondContact O-N 2.87Å; I261-N263 PolarHBondContact O-N 3.13Å; I261-H264 PolarHBondContact O-N 3.42Å
262M87.4Confident88.6Confident116 Ų11670.6 Ų70.657%0.57136%0.362SS*.Hα-helixtrans-61.5-43.7-176.1-75.2-165-59.600112.6E258 N259 H264E258-M262 HydrophobicContact CG-CE 3.93Å; E258-M262 HydrophobicContact CG-CG 4.39Å; E258-M262 HydrophobicContact CG-SD 4.26Å; E258-M262 WeakPolarHBondContact O-CB 3.45Å; E258-M262 VanDerWaalsContact O-CG 3.3Å; E258-M262 WeakPolarHBondContact O-CG 3.29Å; E258-M262 PolarHBondContact O-N 3.13Å; N259-M262 PolarHBondContact O-N 3.39Å; N259-M262 WeakPolarHBondContact OD1-CE 3.31Å; M262-H264 VanDerWaalsContact C-N 3.3Å
263N89.6Confident88.6Confident105 Ų10570.3 Ų70.356%0.56135%0.346SS*.THydrogen-bonded Turntrans-85.8-3.7-178.3-66-36.1000113.1N259 I261 M265N259-N263 VanDerWaalsContact O-CB 3.3Å; N259-N263 WeakPolarHBondContact O-CB 3.47Å; N259-N263 PolarHBondContact O-N 3.41Å; N259-N263 PolarHBondContact O-ND2 2.75Å; I261-N263 PolarHBondContact O-N 3.13Å; N263-M265 VanDerWaalsContact C-N 3.34Å; N263-M265 HydrophobicContact CB-CE 4.14Å; N263-M265 HydrophobicContact CB-CG 3.77Å; N263-M265 HydrophobicContact CB-SD 4.33Å; N263-M265 PolarHBondContact O-N 3.28Å
264H90Very high88.3Confident117 Ų11769.6 Ų69.654%0.54234%0.342SS..THydrogen-bonded Turntrans51.153.4-176.4-162.962.2000111.6Y241 L260 I261 M262Y241-H264 AromaticContact CD1-CD2 3.89Å; Y241-H264 AromaticContact CD1-CE1 3.65Å; Y241-H264 AromaticContact CD1-CG 3.87Å; Y241-H264 AromaticContact CD1-ND1 3.73Å; Y241-H264 AromaticContact CD1-NE2 3.8Å; Y241-H264 WeakPolarHBondContact CD1-O 2.97Å; Y241-H264 AromaticContact CE1-CD2 3.63Å; Y241-H264 AromaticContact CE1-NE2 3.68Å; Y241-H264 WeakPolarHBondContact CE1-O 3.42Å; Y241-H264 AromaticContact CG-CE1 3.65Å; Y241-H264 AromaticContact CZ-NE2 3.82Å; L260-H264 PolarHBondContact O-N 3.07Å; I261-H264 PolarHBondContact O-N 3.42Å; M262-H264 VanDerWaalsContact C-N 3.3Å
265M89Confident88Confident49 Ų4968.4 Ų68.424%0.24134%0.337CS..  trans-83130.4-176.2-70.4-169-83.900111.4Y241 N259 L260 N263 I267 F285Y241-M265 VanDerWaalsContact CD1-C 3.46Å; Y241-M265 VanDerWaalsContact CD1-O 3.29Å; Y241-M265 WeakPolarHBondContact CD1-O 3.13Å; N259-M265 HydrophobicContact CB-CE 4.21Å; L260-M265 HydrophobicContact CD2-CB 3.71Å; L260-M265 HydrophobicContact CD2-CE 3.78Å; L260-M265 HydrophobicContact CD2-SD 4.4Å; L260-M265 HydrophobicContact CG-CE 4.28Å; L260-M265 PolarHBondContact O-N 3.39Å; L260-M265 VanDerWaalsContact O-N 3.13Å; N263-M265 VanDerWaalsContact C-N 3.34Å; N263-M265 HydrophobicContact CB-CE 4.14Å; N263-M265 HydrophobicContact CB-CG 3.77Å; N263-M265 HydrophobicContact CB-SD 4.33Å; N263-M265 PolarHBondContact O-N 3.28Å; M265-I267 PolarHBondContact O-N 2.91Å; M265-F285 HydrophobicContact CE-CD1 3.92Å; M265-F285 HydrophobicContact CE-CE1 3.97Å; M265-F285 HydrophobicContact SD-CD1 3.74Å; M265-F285 HydrophobicContact SD-CE1 3.88Å
266D92.4Very high87.7Confident94 Ų9464 Ų6450%0.50332%0.319SS..BIsolated β-bridgetrans-77.4114.9172.9-176.6-3.8000109.5Y241 S268Y241-D266 HydrophobicContact CD1-CB 4.43Å; Y241-D266 HydrophobicContact CE1-CB 3.75Å; D266-S268 WeakPolarHBondContact OD1-CB 3.43Å; D266-S268 PolarHBondContact OD1-N 2.91Å; D266-S268 PolarHBondContact OD1-OG 3.09Å
267I89.6Confident87Confident3 Ų367.7 Ų67.72%0.01534%0.343CS..  trans-108.716.3-179.255.5161.3000112.3F237 G240 V242 L260 M265 R269 V270 K271 L274F237-I267 HydrophobicContact CD1-CD1 3.49Å; F237-I267 VanDerWaalsContact CD1-CD1 3.49Å; F237-I267 HydrophobicContact CD1-CG1 4.43Å; F237-I267 HydrophobicContact CE1-CD1 3.24Å; F237-I267 HydrophobicContact CZ-CD1 4.46Å; G240-I267 WeakPolarHBondContact O-CG1 3.15Å; G240-I267 PolarHBondContact O-N 3.17Å; V242-I267 HydrophobicContact CG2-CD1 3.42Å; V242-I267 VanDerWaalsContact CG2-CD1 3.42Å; V242-I267 HydrophobicContact CG2-CG1 4.34Å; L260-I267 HydrophobicContact CD1-CG2 4.26Å; L260-I267 HydrophobicContact CD2-CG2 3.33Å; L260-I267 HydrophobicContact CG-CG2 4.43Å; M265-I267 PolarHBondContact O-N 2.91Å; I267-R269 PolarHBondContact O-N 3.11Å; I267-V270 HydrophobicContact CB-CG2 3.72Å; I267-V270 HydrophobicContact CG2-CG2 3.94Å; I267-V270 CarbonylContact O-C 3.18Å; I267-V270 PolarHBondContact O-N 3.15Å; I267-K271 WeakPolarHBondContact O-CA 3.28Å; I267-K271 WeakPolarHBondContact O-CB 3.2Å; I267-K271 PolarHBondContact O-N 2.83Å; I267-L274 HydrophobicContact CD1-CD2 3.96Å
268S89.7Confident86.3Confident73 Ų7373.4 Ų73.451%0.5138%0.378SS..THydrogen-bonded Turntrans-51-27.4180-60.90000113.6G240 D266G240-S268 VanDerWaalsContact CA-OG 3.25Å; G240-S268 WeakPolarHBondContact CA-OG 3.3Å; D266-S268 WeakPolarHBondContact OD1-CB 3.43Å; D266-S268 PolarHBondContact OD1-N 2.91Å; D266-S268 PolarHBondContact OD1-OG 3.09Å
269R87.8Confident85.5Confident242 Ų24270.5 Ų70.591%0.91337%0.365SS*.THydrogen-bonded Turntrans-84-25.3179-66.5-175.9176168.30.5115I267I267-R269 PolarHBondContact O-N 3.11Å
270V86.6Confident84.5Confident18 Ų1871.7 Ų71.711%0.10937%0.371CS..THydrogen-bonded Turntrans-119.65.5-173.8-59.30000112.1I267 D272 D273 L274 Y284I267-V270 HydrophobicContact CB-CG2 3.72Å; I267-V270 HydrophobicContact CG2-CG2 3.94Å; I267-V270 CarbonylContact O-C 3.18Å; I267-V270 PolarHBondContact O-N 3.15Å; V270-D272 VanDerWaalsContact C-N 3.31Å; V270-D272 PolarHBondContact O-N 2.86Å; V270-D273 CarbonylContact O-C 3.55Å; V270-D273 WeakPolarHBondContact O-CA 3.1Å; V270-D273 WeakPolarHBondContact O-CB 3.06Å; V270-D273 PolarHBondContact O-N 3.05Å; V270-L274 PolarHBondContact O-N 2.62Å; V270-Y284 HydrophobicContact CG1-CD1 3.58Å; V270-Y284 HydrophobicContact CG1-CE1 3.48Å; V270-Y284 VanDerWaalsContact CG1-CE1 3.48Å; V270-Y284 HydrophobicContact CG1-CG 4.4Å
271K85.3Confident83.2Confident32 Ų3272.1 Ų72.114%0.13937%0.373CS..THydrogen-bonded Turntrans-54-46-175.2173.6179.7169.2-161.70112.2E221 L223 I267 D273 L274E221-K271 IonicContact OE1-NZ 2.73Å; E221-K271 PolarHBondContact OE1-NZ 3.07Å; E221-K271 IonicContact OE2-NZ 3.07Å; E221-K271 PolarHBondContact OE2-NZ 3.06Å; L223-K271 HydrophobicContact CD1-CG 3.8Å; L223-K271 WeakPolarHBondContact CD1-O 3.43Å; I267-K271 WeakPolarHBondContact O-CA 3.28Å; I267-K271 WeakPolarHBondContact O-CB 3.2Å; I267-K271 PolarHBondContact O-N 2.83Å; K271-D273 VanDerWaalsContact C-N 3.3Å; K271-L274 WeakPolarHBondContact O-CB 3.46Å; K271-L274 PolarHBondContact O-N 2.87Å
272D80.6Confident81.9Confident132 Ų13276.3 Ų76.371%0.70639%0.392SS*.THydrogen-bonded Turntrans-73.1-26-179.2-64.3-29.2000112.3V270V270-D272 VanDerWaalsContact C-N 3.31Å; V270-D272 PolarHBondContact O-N 2.86Å
273D85.7Confident80.8Confident53 Ų5376.6 Ų76.628%0.28340%0.396SS..THydrogen-bonded Turntrans-82-21.3178-67.5-37000112.5V270 K271 L275 N276 I279V270-D273 CarbonylContact O-C 3.55Å; V270-D273 WeakPolarHBondContact O-CA 3.1Å; V270-D273 WeakPolarHBondContact O-CB 3.06Å; V270-D273 PolarHBondContact O-N 3.05Å; K271-D273 VanDerWaalsContact C-N 3.3Å; D273-L275 PolarHBondContact O-N 2.9Å; D273-L275 VanDerWaalsContact O-N 3.15Å; D273-N276 VanDerWaalsContact O-CB 3.27Å; D273-N276 WeakPolarHBondContact O-CB 3.38Å; D273-N276 PolarHBondContact O-N 2.86Å; D273-I279 HydrophobicContact CB-CD1 3.58Å; D273-I279 WeakPolarHBondContact OD1-CD1 3.38Å
274L82.5Confident79.5Confident1 Ų177.3 Ų77.31%0.00539%0.392CS..THydrogen-bonded Turntrans-59.1-29.2-177.5-167.974.6000113.4I235 F237 V242 V256 L260 I267 V270 K271 L281I235-L274 HydrophobicContact CD1-CD2 3.58Å; I235-L274 HydrophobicContact CD1-CG 4.11Å; I235-L274 HydrophobicContact CG2-CD2 4.3Å; F237-L274 HydrophobicContact CE1-CD2 3.63Å; F237-L274 HydrophobicContact CZ-CD2 3.72Å; V242-L274 HydrophobicContact CG2-CD2 4.4Å; V256-L274 HydrophobicContact CG1-CD1 4.38Å; L260-L274 HydrophobicContact CD1-CD1 3.8Å; L260-L274 HydrophobicContact CD1-CD2 4.34Å; I267-L274 HydrophobicContact CD1-CD2 3.96Å; V270-L274 PolarHBondContact O-N 2.62Å; K271-L274 WeakPolarHBondContact O-CB 3.46Å; K271-L274 PolarHBondContact O-N 2.87Å; L274-L281 HydrophobicContact CD1-CD1 3.66Å; L274-L281 HydrophobicContact CD1-CD2 4.11Å; L274-L281 HydrophobicContact CD1-CG 4.5Å; L274-L281 HydrophobicContact CG-CD1 4.33Å
275L81.9Confident78.2Confident21 Ų2175.5 Ų75.511%0.1138%0.383CS..THydrogen-bonded Turntrans-97.94.4175.4-63.6-164.1000113.1L223 R225 I233 I235 L253 D273 P277L223-L275 HydrophobicContact CB-CD1 3.38Å; L223-L275 HydrophobicContact CB-CG 4.02Å; L223-L275 HydrophobicContact CD1-CG 4.45Å; R225-L275 HydrophobicContact CB-CB 4.36Å; R225-L275 HydrophobicContact CB-CD1 4Å; R225-L275 WeakPolarHBondContact CD-O 2.99Å; R225-L275 PolarHBondContact NH1-O 3.22Å; I233-L275 HydrophobicContact CB-CD2 4.44Å; I233-L275 HydrophobicContact CG2-CD2 3.52Å; I235-L275 HydrophobicContact CD1-CD2 3.68Å; I235-L275 HydrophobicContact CG1-CD2 4.18Å; L253-L275 HydrophobicContact CD1-CD2 4.42Å; D273-L275 PolarHBondContact O-N 2.9Å; D273-L275 VanDerWaalsContact O-N 3.15Å; L275-P277 VanDerWaalsContact O-CD 3.28Å; L275-P277 WeakPolarHBondContact O-CD 3.25Å
276N81.4Confident76.6Confident53 Ų5383 Ų8328%0.28342%0.423SS..  trans-79.9113.5180-170.4-12.5000110.2D273 T278 I279D273-N276 VanDerWaalsContact O-CB 3.27Å; D273-N276 WeakPolarHBondContact O-CB 3.38Å; D273-N276 PolarHBondContact O-N 2.86Å; N276-T278 PolarHBondContact ND2-OG1 3.44Å; N276-T278 PolarHBondContact O-N 2.8Å; N276-T278 VanDerWaalsContact O-N 3.11Å; N276-T278 PolarHBondContact OD1-N 2.92Å; N276-T278 VanDerWaalsContact OD1-N 3.07Å; N276-T278 PolarHBondContact OD1-OG1 2.87Å; N276-I279 HydrophobicContact CB-CB 4.23Å; N276-I279 HydrophobicContact CB-CD1 3.77Å; N276-I279 HydrophobicContact CB-CG1 3.92Å; N276-I279 WeakPolarHBondContact ND2-CD1 3.33Å; N276-I279 PolarHBondContact O-N 2.91Å
277P74.6Confident75.8Confident96 Ų9682.4 Ų82.462%0.62342%0.419SS*.THydrogen-bonded Turntrans-67.6-12.8-178.529.1-35.1000113.2R225 L275R225-P277 VanDerWaalsContact NH1-CA 3.34Å; R225-P277 VanDerWaalsContact NH1-N 3.15Å; L275-P277 VanDerWaalsContact O-CD 3.28Å; L275-P277 WeakPolarHBondContact O-CD 3.25Å
278T76Confident75.1Confident119 Ų11986.6 Ų86.673%0.7344%0.441SS*.THydrogen-bonded Turntrans-91.1-6.8179.170.90000113.3N276N276-T278 PolarHBondContact ND2-OG1 3.44Å; N276-T278 PolarHBondContact O-N 2.8Å; N276-T278 VanDerWaalsContact O-N 3.11Å; N276-T278 PolarHBondContact OD1-N 2.92Å; N276-T278 VanDerWaalsContact OD1-N 3.07Å; N276-T278 PolarHBondContact OD1-OG1 2.87Å
279I72.3Confident74.3Confident42 Ų4287.3 Ų87.322%0.21544%0.437CS..SBendtrans-101.9120.9-179.5-64.6179.1000107.2D273 N276 L281 Y284D273-I279 HydrophobicContact CB-CD1 3.58Å; D273-I279 WeakPolarHBondContact OD1-CD1 3.38Å; N276-I279 HydrophobicContact CB-CB 4.23Å; N276-I279 HydrophobicContact CB-CD1 3.77Å; N276-I279 HydrophobicContact CB-CG1 3.92Å; N276-I279 WeakPolarHBondContact ND2-CD1 3.33Å; N276-I279 PolarHBondContact O-N 2.91Å; I279-L281 HydrophobicContact CG2-CD2 4.3Å; I279-L281 PolarHBondContact O-N 3.29Å; I279-Y284 HydrophobicContact CG2-CD2 4.35Å; I279-Y284 HydrophobicContact CG2-CE2 3.95Å
280D67.4Low73.5Confident92 Ų9278.2 Ų78.249%0.49241%0.409SS..  trans-74.9117.4167.1-161.5-22.5000108E282D280-E282 WeakPolarHBondContact OD1-CB 3.49Å; D280-E282 PolarHBondContact OD1-N 3.02Å
281L66.6Low72.6Confident10 Ų1082 Ų825%0.05243%0.427CS..SBendtrans-82.2-19.6-177.9-70.1165.3000111.5L253 V256 L274 I279 D283 Y284 F285L253-L281 HydrophobicContact CD2-CD1 3.65Å; V256-L281 HydrophobicContact CG1-CB 4.44Å; V256-L281 HydrophobicContact CG1-CD1 4.36Å; L274-L281 HydrophobicContact CD1-CD1 3.66Å; L274-L281 HydrophobicContact CD1-CD2 4.11Å; L274-L281 HydrophobicContact CD1-CG 4.5Å; L274-L281 HydrophobicContact CG-CD1 4.33Å; I279-L281 HydrophobicContact CG2-CD2 4.3Å; I279-L281 PolarHBondContact O-N 3.29Å; L281-D283 VanDerWaalsContact C-N 3.26Å; L281-D283 PolarHBondContact O-N 2.76Å; L281-Y284 PolarHBondContact O-N 2.65Å; L281-Y284 VanDerWaalsContact O-N 3.13Å; L281-F285 HydrophobicContact CB-CE2 4.36Å; L281-F285 WeakPolarHBondContact O-CD2 3.49Å; L281-F285 WeakPolarHBondContact O-CE2 3.27Å
282E63.5Low71.8Confident135 Ų13585.3 Ų85.363%0.63145%0.447SS*.G310 helixtrans-59.6-40.7176.5-66.4-175-178.300110.6D280 Y284 F285D280-E282 WeakPolarHBondContact OD1-CB 3.49Å; D280-E282 PolarHBondContact OD1-N 3.02Å; E282-Y284 PolarHBondContact O-N 2.89Å; E282-F285 PolarHBondContact O-N 3.42Å
283D64.5Low71.2Confident122 Ų12282 Ų8265%0.65243%0.428SS*.G310 helixtrans-58-21.2176.9-78.9-9.9000114.2L281L281-D283 VanDerWaalsContact C-N 3.26Å; L281-D283 PolarHBondContact O-N 2.76Å
284Y62.3Low70Confident120 Ų12084.2 Ų84.247%0.47144%0.439SS..G310 helixtrans-87.5-16.1-179.9-90.3-90.6000113.9V270 I279 L281 E282V270-Y284 HydrophobicContact CG1-CD1 3.58Å; V270-Y284 HydrophobicContact CG1-CE1 3.48Å; V270-Y284 VanDerWaalsContact CG1-CE1 3.48Å; V270-Y284 HydrophobicContact CG1-CG 4.4Å; I279-Y284 HydrophobicContact CG2-CD2 4.35Å; I279-Y284 HydrophobicContact CG2-CE2 3.95Å; L281-Y284 PolarHBondContact O-N 2.65Å; L281-Y284 VanDerWaalsContact O-N 3.13Å; E282-Y284 PolarHBondContact O-N 2.89Å
285F62.1Low69Low79 Ų7991.2 Ų91.235%0.34648%0.475SS..THydrogen-bonded Turntrans-108.61.2-174.8-61.2-70.9000114.2V256 L260 M265 L281 E282V256-F285 HydrophobicContact CG1-CE2 3.95Å; L260-F285 HydrophobicContact CD1-CZ 4.36Å; L260-F285 HydrophobicContact CD2-CE1 3.6Å; L260-F285 HydrophobicContact CD2-CZ 3.56Å; L260-F285 HydrophobicContact CG-CZ 4.17Å; M265-F285 HydrophobicContact CE-CD1 3.92Å; M265-F285 HydrophobicContact CE-CE1 3.97Å; M265-F285 HydrophobicContact SD-CD1 3.74Å; M265-F285 HydrophobicContact SD-CE1 3.88Å; L281-F285 HydrophobicContact CB-CE2 4.36Å; L281-F285 WeakPolarHBondContact O-CD2 3.49Å; L281-F285 WeakPolarHBondContact O-CE2 3.27Å; E282-F285 PolarHBondContact O-N 3.42Å
286D55.4Low67.8Low205 Ų20597.5 Ų97.5100%1.09651%0.508SS*.  trans-81.40166.2-81.3-16.5000112.9

Retrieved 286 of 286 residues in 79.1 ms (Link to these results)

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