A0A087WVZ9_HUMAN Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC1

AlphaFold DB , UniProt , Accession A0A087WVZ9, Species HUMAN (Homo sapiens, Human), Gene POLR2E, Length 184 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
1M61Low86.8Confident195 Ų19585.5 Ų85.596%0.96139%0.389SS*.  0131.40-107.6162.4165.700105.5D3 E6M1-D3 PolarHBondContact O-N 3.33Å; M1-E6 WeakPolarHBondContact CE-OE2 3.41Å
2D84.4Confident87.4Confident95 Ų9586.5 Ų86.551%0.50839%0.392SS..  trans-78.9103.2172.8-172.2-6000107.4E4 E5 E6D2-E4 PolarHBondContact O-N 3.15Å; D2-E4 WeakPolarHBondContact OD1-CB 3.38Å; D2-E4 PolarHBondContact OD1-N 3.3Å; D2-E5 HydrophobicContact CB-CB 3.85Å; D2-E5 PolarHBondContact O-N 3.09Å; D2-E5 VanDerWaalsContact O-N 3.15Å; D2-E6 PolarHBondContact O-N 3.16Å
3D86.1Confident87.7Confident38 Ų3883.4 Ų83.420%0.20338%0.38CS..Hα-helixtrans-56.6-31.3-179.2-83.2-26000111.6M1 T7 S49M1-D3 PolarHBondContact O-N 3.33Å; D3-T7 VanDerWaalsContact O-CB 3.24Å; D3-T7 WeakPolarHBondContact O-CB 3.38Å; D3-T7 PolarHBondContact O-N 2.95Å; D3-T7 PolarHBondContact O-OG1 3.03Å; D3-S49 VanDerWaalsContact CG-OG 3.31Å; D3-S49 WeakPolarHBondContact OD1-CB 3.48Å; D3-S49 PolarHBondContact OD1-N 2.97Å; D3-S49 PolarHBondContact OD1-OG 2.75Å; D3-S49 WeakPolarHBondContact OD2-CB 3.15Å; D3-S49 PolarHBondContact OD2-OG 3.39Å
4E87.1Confident88.1Confident125 Ų12579.6 Ų79.658%0.58436%0.361SS*.Hα-helixtrans-70.6-44.9177.5-170170.2-167.200111.4D2 T7 Y8D2-E4 PolarHBondContact O-N 3.15Å; D2-E4 WeakPolarHBondContact OD1-CB 3.38Å; D2-E4 PolarHBondContact OD1-N 3.3Å; E4-T7 PolarHBondContact O-N 3.12Å; E4-Y8 WeakPolarHBondContact O-CB 3.38Å; E4-Y8 PolarHBondContact O-N 2.95Å
5E89.1Confident88.4Confident134 Ų13476.9 Ų76.963%0.62635%0.348SS*.Hα-helixtrans-63.3-44.8177.4-168.3-171.8172.800111.6D2 Y8 R9D2-E5 HydrophobicContact CB-CB 3.85Å; D2-E5 PolarHBondContact O-N 3.09Å; D2-E5 VanDerWaalsContact O-N 3.15Å; E5-Y8 PolarHBondContact O-N 2.93Å; E5-R9 WeakPolarHBondContact O-CB 3.22Å; E5-R9 PolarHBondContact O-N 2.63Å
6E87.3Confident88.6Confident46 Ų4675.4 Ų75.422%0.21535%0.347CS..Hα-helixtrans-65.6-42.7179.1-178.3109.5-150.300111.1M1 D2 R9 L10 P48M1-E6 WeakPolarHBondContact CE-OE2 3.41Å; D2-E6 PolarHBondContact O-N 3.16Å; E6-R9 PolarHBondContact O-N 2.98Å; E6-L10 HydrophobicContact CG-CD1 4.44Å; E6-L10 WeakPolarHBondContact O-CG 3.36Å; E6-L10 PolarHBondContact O-N 2.88Å; E6-P48 HydrophobicContact CB-CB 4.33Å; E6-P48 HydrophobicContact CB-CG 3.96Å; E6-P48 HydrophobicContact CG-CB 3.83Å; E6-P48 HydrophobicContact CG-CG 3.81Å
7T90.9Very high88.8Confident0 Ų071.8 Ų71.80%033%0.331CS..Hα-helixtrans-61.3-46.7175.2-61.50000111.4D3 E4 R9 L10 W11 L37 F40 K41 D46 P48D3-T7 VanDerWaalsContact O-CB 3.24Å; D3-T7 WeakPolarHBondContact O-CB 3.38Å; D3-T7 PolarHBondContact O-N 2.95Å; D3-T7 PolarHBondContact O-OG1 3.03Å; E4-T7 PolarHBondContact O-N 3.12Å; T7-R9 VanDerWaalsContact C-N 3.31Å; T7-R9 PolarHBondContact O-N 3.29Å; T7-L10 PolarHBondContact O-N 3.45Å; T7-W11 WeakPolarHBondContact O-CB 3.36Å; T7-W11 PolarHBondContact O-N 3.1Å; T7-L37 HydrophobicContact CG2-CD1 4.43Å; T7-F40 HydrophobicContact CG2-CD1 4.24Å; T7-F40 HydrophobicContact CG2-CE1 4.11Å; T7-K41 HydrophobicContact CG2-CG 3.8Å; T7-D46 PolarHBondContact OG1-O 3.49Å; T7-P48 VanDerWaalsContact OG1-CD 3.24Å; T7-P48 WeakPolarHBondContact OG1-CD 3.13Å; T7-P48 VanDerWaalsContact OG1-CG 3.32Å; T7-P48 WeakPolarHBondContact OG1-CG 3.37Å
8Y92.3Very high89Confident117 Ų11768 Ų6846%0.45931%0.313SS..Hα-helixtrans-59.2-43.8176.2177.6-98.7000111.8E4 E5 W11 K12 L37E4-Y8 WeakPolarHBondContact O-CB 3.38Å; E4-Y8 PolarHBondContact O-N 2.95Å; E5-Y8 PolarHBondContact O-N 2.93Å; Y8-W11 AromaticContact CD2-CE3 3.83Å; Y8-W11 HydrophobicContact CD2-CE3 3.83Å; Y8-W11 AromaticContact CD2-CZ3 3.98Å; Y8-W11 HydrophobicContact CD2-CZ3 3.98Å; Y8-W11 AromaticContact CE2-CE3 3.75Å; Y8-W11 HydrophobicContact CE2-CE3 3.75Å; Y8-W11 AromaticContact CE2-CZ3 3.41Å; Y8-W11 HydrophobicContact CE2-CZ3 3.41Å; Y8-W11 VanDerWaalsContact CE2-CZ3 3.41Å; Y8-W11 PolarHBondContact O-N 3.38Å; Y8-K12 WeakPolarHBondContact O-CB 3.47Å; Y8-K12 PolarHBondContact O-N 3.37Å; Y8-L37 HydrophobicContact CD2-CD1 4.37Å; Y8-L37 HydrophobicContact CD2-CD2 3.99Å
9R91.1Very high89.1Confident156 Ų15668.5 Ų68.559%0.58932%0.316SS*.Hα-helixtrans-61.5-45.6177.6-177.7177.2178.4166.2-0.8111.6E5 E6 T7 K12 I13E5-R9 WeakPolarHBondContact O-CB 3.22Å; E5-R9 PolarHBondContact O-N 2.63Å; E6-R9 PolarHBondContact O-N 2.98Å; T7-R9 VanDerWaalsContact C-N 3.31Å; T7-R9 PolarHBondContact O-N 3.29Å; R9-K12 PolarHBondContact O-N 3.47Å; R9-I13 HydrophobicContact CG-CD1 3.86Å; R9-I13 WeakPolarHBondContact O-CB 3.5Å; R9-I13 WeakPolarHBondContact O-CD1 3.33Å; R9-I13 WeakPolarHBondContact O-CG1 3.39Å; R9-I13 PolarHBondContact O-N 2.9Å
10L92Very high89Confident4 Ų465.6 Ų65.62%0.02130%0.303CS..Hα-helixtrans-62.1-46.3177.8-74.7174.7000112E6 T7 K12 I13 R14 F40 P53 R55 L58E6-L10 HydrophobicContact CG-CD1 4.44Å; E6-L10 WeakPolarHBondContact O-CG 3.36Å; E6-L10 PolarHBondContact O-N 2.88Å; T7-L10 PolarHBondContact O-N 3.45Å; L10-K12 PolarHBondContact O-N 3.26Å; L10-I13 PolarHBondContact O-N 3.41Å; L10-R14 WeakPolarHBondContact O-CB 3.42Å; L10-R14 PolarHBondContact O-N 2.87Å; L10-F40 HydrophobicContact CB-CE1 4.47Å; L10-F40 HydrophobicContact CB-CZ 4.28Å; L10-P53 HydrophobicContact CD1-CG 3.61Å; L10-R55 VanDerWaalsContact CD2-NH1 3.27Å; L10-L58 HydrophobicContact CB-CD1 4.27Å; L10-L58 HydrophobicContact CD1-CD1 4.43Å; L10-L58 HydrophobicContact CD2-CD1 3.93Å; L10-L58 HydrophobicContact CG-CD1 4.46Å
11W94Very high89.1Confident31 Ų3162.5 Ų62.512%0.11729%0.288CS..Hα-helixtrans-56.5-49174167.772000111.4T7 Y8 I13 R14 K15 Q35 T36 L37 F40T7-W11 WeakPolarHBondContact O-CB 3.36Å; T7-W11 PolarHBondContact O-N 3.1Å; Y8-W11 AromaticContact CD2-CE3 3.83Å; Y8-W11 HydrophobicContact CD2-CE3 3.83Å; Y8-W11 AromaticContact CD2-CZ3 3.98Å; Y8-W11 HydrophobicContact CD2-CZ3 3.98Å; Y8-W11 AromaticContact CE2-CE3 3.75Å; Y8-W11 HydrophobicContact CE2-CE3 3.75Å; Y8-W11 AromaticContact CE2-CZ3 3.41Å; Y8-W11 HydrophobicContact CE2-CZ3 3.41Å; Y8-W11 VanDerWaalsContact CE2-CZ3 3.41Å; Y8-W11 PolarHBondContact O-N 3.38Å; W11-I13 VanDerWaalsContact C-N 3.34Å; W11-I13 PolarHBondContact O-N 2.86Å; W11-R14 PolarHBondContact O-N 3.36Å; W11-K15 HydrophobicContact CH2-CD 4.41Å; W11-K15 HydrophobicContact CZ2-CD 3.79Å; W11-K15 WeakPolarHBondContact O-CB 3.28Å; W11-K15 PolarHBondContact O-N 2.78Å; W11-Q35 PolarHBondContact NE1-O 2.66Å; W11-T36 PolarHBondContact NE1-O 2.85Å; W11-L37 HydrophobicContact CB-CD1 3.75Å; W11-L37 HydrophobicContact CD2-CB 4.21Å; W11-L37 HydrophobicContact CD2-CD1 4.03Å; W11-L37 HydrophobicContact CE3-CB 4.48Å; W11-L37 HydrophobicContact CE3-CD1 4.21Å; W11-L37 HydrophobicContact CG-CD1 3.84Å; W11-F40 HydrophobicContact CB-CB 4.49Å; W11-F40 HydrophobicContact CB-CD1 3.72Å; W11-F40 HydrophobicContact CB-CE1 4.03Å; W11-F40 HydrophobicContact CB-CG 3.98Å; W11-F40 AromaticContact CD1-CG 3.81Å; W11-F40 HydrophobicContact CG-CB 4.3Å; W11-F40 HydrophobicContact CG-CD1 4.41Å; W11-F40 HydrophobicContact CG-CG 4.27Å
12K93.4Very high90.5Very high97 Ų9757.3 Ų57.342%0.42226%0.262SS..Hα-helixtrans-63.7-39.9-178.4-173.660.7176.1-179.70112.3Y8 R9 L10 T16Y8-K12 WeakPolarHBondContact O-CB 3.47Å; Y8-K12 PolarHBondContact O-N 3.37Å; R9-K12 PolarHBondContact O-N 3.47Å; L10-K12 PolarHBondContact O-N 3.26Å; K12-T16 WeakPolarHBondContact O-CB 3.43Å; K12-T16 PolarHBondContact O-N 3.41Å; K12-T16 PolarHBondContact O-OG1 2.85Å
13I92.1Very high90.5Very high46 Ų4657.9 Ų57.924%0.23627%0.265CS..Hα-helixtrans-62.9-49.4175.2-70.2166.1000110R9 L10 W11 K15 T16 I17 F76 V105R9-I13 HydrophobicContact CG-CD1 3.86Å; R9-I13 WeakPolarHBondContact O-CB 3.5Å; R9-I13 WeakPolarHBondContact O-CD1 3.33Å; R9-I13 WeakPolarHBondContact O-CG1 3.39Å; R9-I13 PolarHBondContact O-N 2.9Å; L10-I13 PolarHBondContact O-N 3.41Å; W11-I13 VanDerWaalsContact C-N 3.34Å; W11-I13 PolarHBondContact O-N 2.86Å; I13-K15 PolarHBondContact O-N 3.46Å; I13-T16 PolarHBondContact O-N 2.93Å; I13-I17 HydrophobicContact CG2-CD1 3.68Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 2.96Å; I13-F76 HydrophobicContact CG2-CE1 3.95Å; I13-V105 HydrophobicContact CG2-CG1 3.85Å
14R93.1Very high90.5Very high31 Ų3158 Ų5812%0.11726%0.262CS..Hα-helixtrans-57.9-48.9178.3-177.1178.3178.2126.82.8111.1L10 W11 T16 I17 M18L10-R14 WeakPolarHBondContact O-CB 3.42Å; L10-R14 PolarHBondContact O-N 2.87Å; W11-R14 PolarHBondContact O-N 3.36Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.36Å; R14-I17 WeakPolarHBondContact O-CB 3.33Å; R14-I17 PolarHBondContact O-N 2.85Å; R14-I17 VanDerWaalsContact O-N 3.1Å; R14-M18 HydrophobicContact CG-CE 4.31Å; R14-M18 HydrophobicContact CG-CG 4.44Å; R14-M18 WeakPolarHBondContact O-CG 3.14Å; R14-M18 PolarHBondContact O-N 2.88Å
15K92.8Very high90.4Very high38 Ų3853 Ų5317%0.16525%0.245CC..Hα-helixtrans-57.6-42.6178.1-171.8163.3-174.7138.60112.4W11 I13 I17 M18 Q19 L33 D34 Q35W11-K15 HydrophobicContact CH2-CD 4.41Å; W11-K15 HydrophobicContact CZ2-CD 3.79Å; W11-K15 WeakPolarHBondContact O-CB 3.28Å; W11-K15 PolarHBondContact O-N 2.78Å; I13-K15 PolarHBondContact O-N 3.46Å; K15-I17 VanDerWaalsContact C-N 3.35Å; K15-I17 PolarHBondContact O-N 3.25Å; K15-M18 PolarHBondContact O-N 3.47Å; K15-Q19 VanDerWaalsContact O-CG 3.31Å; K15-Q19 WeakPolarHBondContact O-CG 3.5Å; K15-Q19 PolarHBondContact O-N 3.49Å; K15-L33 WeakPolarHBondContact CE-O 3.04Å; K15-L33 PolarHBondContact NZ-O 2.98Å; K15-D34 PolarHBondContact NZ-O 2.88Å; K15-Q35 PolarHBondContact NZ-O 3.47Å
16T91.6Very high90.6Very high53 Ų5346.7 Ų46.733%0.32522%0.216SC..Hα-helixtrans-65.6-38.4177-53.90000112K12 I13 R14 L20K12-T16 WeakPolarHBondContact O-CB 3.43Å; K12-T16 PolarHBondContact O-N 3.41Å; K12-T16 PolarHBondContact O-OG1 2.85Å; I13-T16 PolarHBondContact O-N 2.93Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.36Å; T16-L20 VanDerWaalsContact O-CB 3.32Å; T16-L20 WeakPolarHBondContact O-CB 3.46Å; T16-L20 PolarHBondContact O-N 2.95Å
17I91.8Very high90.8Very high14 Ų1449.9 Ų49.97%0.07223%0.234CC..Hα-helixtrans-68.6-41.7177-74.1167000110.9I13 R14 K15 Q19 L20 C21 V74 F76 L103 V105I13-I17 HydrophobicContact CG2-CD1 3.68Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 2.96Å; R14-I17 WeakPolarHBondContact O-CB 3.33Å; R14-I17 PolarHBondContact O-N 2.85Å; R14-I17 VanDerWaalsContact O-N 3.1Å; K15-I17 VanDerWaalsContact C-N 3.35Å; K15-I17 PolarHBondContact O-N 3.25Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 3.21Å; I17-L20 CarbonylContact O-C 3.56Å; I17-L20 WeakPolarHBondContact O-CA 3.46Å; I17-L20 VanDerWaalsContact O-CB 3.32Å; I17-L20 WeakPolarHBondContact O-CB 3.34Å; I17-L20 PolarHBondContact O-N 3.11Å; I17-L20 VanDerWaalsContact O-N 3.12Å; I17-C21 PolarHBondContact O-N 2.75Å; I17-C21 PolarHBondContact O-SG 3Å; I17-V74 HydrophobicContact CD1-CG1 4.26Å; I17-V74 HydrophobicContact CG2-CB 4.42Å; I17-V74 HydrophobicContact CG2-CG1 3.85Å; I17-V74 HydrophobicContact CG2-CG2 4.09Å; I17-F76 HydrophobicContact CD1-CE1 4.01Å; I17-F76 HydrophobicContact CD1-CE2 4.32Å; I17-F76 HydrophobicContact CD1-CZ 3.49Å; I17-F76 VanDerWaalsContact CD1-CZ 3.49Å; I17-L103 HydrophobicContact CD1-CD2 4.41Å; I17-V105 HydrophobicContact CD1-CG2 3.43Å; I17-V105 VanDerWaalsContact CD1-CG2 3.43Å
18M92.6Very high91Very high4 Ų450.5 Ų50.52%0.0224%0.237CC..Hα-helixtrans-62.3-43.2176.9-68-50.8-177.800111.5R14 K15 L20 C21 H22 V28 L33 V60R14-M18 HydrophobicContact CG-CE 4.31Å; R14-M18 HydrophobicContact CG-CG 4.44Å; R14-M18 WeakPolarHBondContact O-CG 3.14Å; R14-M18 PolarHBondContact O-N 2.88Å; K15-M18 PolarHBondContact O-N 3.47Å; M18-L20 VanDerWaalsContact C-N 3.31Å; M18-L20 PolarHBondContact O-N 2.76Å; M18-C21 PolarHBondContact O-N 3.03Å; M18-H22 WeakPolarHBondContact O-CB 3.3Å; M18-H22 PolarHBondContact O-N 2.88Å; M18-V28 HydrophobicContact CB-CG1 4.03Å; M18-V28 HydrophobicContact SD-CG1 4.4Å; M18-L33 HydrophobicContact CB-CD2 4.18Å; M18-V60 HydrophobicContact CE-CB 4.21Å; M18-V60 HydrophobicContact CE-CG1 3.81Å; M18-V60 HydrophobicContact CE-CG2 3.79Å
19Q89.5Confident91Very high77 Ų7748.3 Ų48.336%0.3624%0.236SC..Hα-helixtrans-59.4-42.5171.6-71.1163.46.400111.7K15 I17 C21 H22 D23 L33K15-Q19 VanDerWaalsContact O-CG 3.31Å; K15-Q19 WeakPolarHBondContact O-CG 3.5Å; K15-Q19 PolarHBondContact O-N 3.49Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 3.21Å; Q19-C21 PolarHBondContact O-N 3.38Å; Q19-H22 PolarHBondContact O-N 2.91Å; Q19-D23 WeakPolarHBondContact O-CB 3.45Å; Q19-D23 PolarHBondContact O-N 3.46Å; Q19-L33 HydrophobicContact CB-CD2 4.49Å; Q19-L33 HydrophobicContact CG-CD2 3.88Å
20L88.3Confident91Very high11 Ų1146.1 Ų46.16%0.05823%0.233CC..Hα-helixtrans-63.1-40.6177.3-172.7151.7000112.8T16 I17 M18 R24 L103 P151T16-L20 VanDerWaalsContact O-CB 3.32Å; T16-L20 WeakPolarHBondContact O-CB 3.46Å; T16-L20 PolarHBondContact O-N 2.95Å; I17-L20 CarbonylContact O-C 3.56Å; I17-L20 WeakPolarHBondContact O-CA 3.46Å; I17-L20 VanDerWaalsContact O-CB 3.32Å; I17-L20 WeakPolarHBondContact O-CB 3.34Å; I17-L20 PolarHBondContact O-N 3.11Å; I17-L20 VanDerWaalsContact O-N 3.12Å; M18-L20 VanDerWaalsContact C-N 3.31Å; M18-L20 PolarHBondContact O-N 2.76Å; L20-R24 WeakPolarHBondContact O-CB 3.06Å; L20-R24 WeakPolarHBondContact O-CG 3.4Å; L20-R24 PolarHBondContact O-N 3.14Å; L20-L103 HydrophobicContact CD2-CD1 4.45Å; L20-P151 HydrophobicContact CD1-CB 3.61Å; L20-P151 HydrophobicContact CD1-CG 3.49Å; L20-P151 VanDerWaalsContact CD1-CG 3.49Å; L20-P151 HydrophobicContact CD2-CG 3.77Å; L20-P151 HydrophobicContact CG-CG 4.11Å
21C90.4Very high91Very high0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-64.8-47.1174.8-68.50000110.2I17 M18 Q19 D23 R24 G25 Y26 V28 V62I17-C21 PolarHBondContact O-N 2.75Å; I17-C21 PolarHBondContact O-SG 3Å; M18-C21 PolarHBondContact O-N 3.03Å; Q19-C21 PolarHBondContact O-N 3.38Å; C21-D23 PolarHBondContact O-N 2.93Å; C21-R24 CarbonylContact O-C 3.44Å; C21-R24 PolarHBondContact O-N 3.07Å; C21-R24 VanDerWaalsContact O-N 3.16Å; C21-G25 PolarHBondContact O-N 2.85Å; C21-Y26 VanDerWaalsContact O-CB 3.32Å; C21-Y26 WeakPolarHBondContact O-CB 3.38Å; C21-Y26 WeakPolarHBondContact O-CD2 3.34Å; C21-Y26 PolarHBondContact O-N 3.16Å; C21-V28 HydrophobicContact CB-CG2 3.75Å; C21-V62 HydrophobicContact CB-CG1 4.31Å; C21-V62 HydrophobicContact CB-CG2 4.31Å
22H90.2Very high90.8Very high87 Ų8754.4 Ų54.440%0.40328%0.277SS..Hα-helixtrans-57.2-49.7175.9175.6-88.4000112.4M18 Q19 R24 G25 V28 L33M18-H22 WeakPolarHBondContact O-CB 3.3Å; M18-H22 PolarHBondContact O-N 2.88Å; Q19-H22 PolarHBondContact O-N 2.91Å; H22-R24 PolarHBondContact O-N 3.29Å; H22-R24 VanDerWaalsContact O-N 3.16Å; H22-G25 PolarHBondContact O-N 3.48Å; H22-V28 HydrophobicContact CB-CB 4.15Å; H22-V28 HydrophobicContact CB-CG2 4.2Å; H22-L33 HydrophobicContact CB-CD1 4.41Å; H22-L33 HydrophobicContact CB-CD2 4.14Å
23D85.9Confident90.7Very high107 Ų10750.6 Ų50.657%0.57226%0.261SS*.Hα-helixtrans-61.5-26.5179.1-68.7-12.2000112.9Q19 C21 G25Q19-D23 WeakPolarHBondContact O-CB 3.45Å; Q19-D23 PolarHBondContact O-N 3.46Å; C21-D23 PolarHBondContact O-N 2.93Å; D23-G25 VanDerWaalsContact C-N 3.27Å
24R84.3Confident90.8Very high39 Ų3953 Ų5315%0.14727%0.274CS..THydrogen-bonded Turntrans-85.86.7175.4-77.9178.9160.7-173.3-5.8113.5L20 C21 H22 Y26 H64 D150 P151L20-R24 WeakPolarHBondContact O-CB 3.06Å; L20-R24 WeakPolarHBondContact O-CG 3.4Å; L20-R24 PolarHBondContact O-N 3.14Å; C21-R24 CarbonylContact O-C 3.44Å; C21-R24 PolarHBondContact O-N 3.07Å; C21-R24 VanDerWaalsContact O-N 3.16Å; H22-R24 PolarHBondContact O-N 3.29Å; H22-R24 VanDerWaalsContact O-N 3.16Å; R24-Y26 HydrophobicContact CB-CD2 3.67Å; R24-Y26 HydrophobicContact CB-CE2 3.76Å; R24-H64 PolarHBondContact O-NE2 3.34Å; R24-D150 IonicContact CZ-OD2 3.33Å; R24-D150 IonicContact NE-OD2 3.91Å; R24-D150 IonicContact NH2-OD1 3.97Å; R24-D150 PolarHBondContact NH2-OD1 2.79Å; R24-D150 VanDerWaalsContact NH2-OD1 3.1Å; R24-D150 IonicContact NH2-OD2 2.75Å; R24-D150 PolarHBondContact NH2-OD2 3.49Å; R24-P151 VanDerWaalsContact CZ-CD 3.49Å
25G86.2Confident90.8Very high22 Ų2252.3 Ų52.323%0.22727%0.273CS..THydrogen-bonded Turntrans82.413.2178.600000114.4C21 H22 D23 H64 N65C21-G25 PolarHBondContact O-N 2.85Å; H22-G25 PolarHBondContact O-N 3.48Å; D23-G25 VanDerWaalsContact C-N 3.27Å; G25-H64 PolarHBondContact O-CD2 3.18Å; G25-N65 WeakPolarHBondContact O-CB 3.33Å; G25-N65 PolarHBondContact O-N 2.85Å
26Y92.6Very high91Very high1 Ų153.6 Ų53.60%0.00428%0.284CS..BIsolated β-bridgetrans-80.6146.3172.9-64.1-92.6000111.3C21 R24 V28 V62 A63 H64 D70 M72 R101C21-Y26 VanDerWaalsContact O-CB 3.32Å; C21-Y26 WeakPolarHBondContact O-CB 3.38Å; C21-Y26 WeakPolarHBondContact O-CD2 3.34Å; C21-Y26 PolarHBondContact O-N 3.16Å; R24-Y26 HydrophobicContact CB-CD2 3.67Å; R24-Y26 HydrophobicContact CB-CE2 3.76Å; Y26-V28 PolarHBondContact O-N 3.16Å; Y26-V28 VanDerWaalsContact O-N 3.14Å; Y26-V62 HydrophobicContact CD1-CB 4.09Å; Y26-V62 HydrophobicContact CD1-CG2 3.59Å; Y26-V62 HydrophobicContact CE1-CG2 4.24Å; Y26-V62 HydrophobicContact CG-CB 4.29Å; Y26-V62 HydrophobicContact CG-CG2 3.81Å; Y26-A63 CarbonylContact C-O 3.52Å; Y26-A63 WeakPolarHBondContact CA-O 3.29Å; Y26-H64 HydrophobicContact CD1-CB 4.26Å; Y26-H64 HydrophobicContact CE1-CB 4.18Å; Y26-D70 PolarHBondContact OH-OD1 3.45Å; Y26-M72 HydrophobicContact CD2-CE 4.12Å; Y26-M72 HydrophobicContact CE1-CB 3.79Å; Y26-M72 HydrophobicContact CE1-CE 4.48Å; Y26-M72 HydrophobicContact CE2-CE 3.8Å; Y26-M72 HydrophobicContact CE2-SD 4.48Å; Y26-R101 PolarHBondContact OH-NE 2.89Å; Y26-R101 PolarHBondContact OH-NH1 3.42Å; Y26-R101 PolarHBondContact OH-NH2 3.14Å
27L92.3Very high91.1Very high113 Ų11352.7 Ų52.759%0.59228%0.276SS*.  trans-66.4110.1175.1-173.965.2000109.3A63 N65L27-A63 WeakPolarHBondContact CB-O 3.32Å; L27-A63 PolarHBondContact N-O 3.48Å; L27-N65 WeakPolarHBondContact CA-OD1 3.19Å; L27-N65 WeakPolarHBondContact CB-OD1 3.42Å; L27-N65 WeakPolarHBondContact CD1-OD1 3.44Å
28V93.7Very high91.1Very high13 Ų1357.7 Ų57.78%0.07930%0.299CS..  trans-133.7129.6173.7-177.20000106.6M18 C21 H22 Y26 E32 L33M18-V28 HydrophobicContact CB-CG1 4.03Å; M18-V28 HydrophobicContact SD-CG1 4.4Å; C21-V28 HydrophobicContact CB-CG2 3.75Å; H22-V28 HydrophobicContact CB-CB 4.15Å; H22-V28 HydrophobicContact CB-CG2 4.2Å; Y26-V28 PolarHBondContact O-N 3.16Å; Y26-V28 VanDerWaalsContact O-N 3.14Å; V28-E32 HydrophobicContact CG1-CB 3.94Å; V28-L33 HydrophobicContact CG1-CD2 3.84Å; V28-L33 HydrophobicContact CG1-CG 3.88Å
29T92.8Very high91.2Very high71 Ų7162 Ų6244%0.43632%0.32SS..  trans-75.6155.5-178.162.30000111.4D31 E32 L33T29-D31 PolarHBondContact O-N 2.91Å; T29-E32 PolarHBondContact N-OE2 3.16Å; T29-E32 PolarHBondContact O-N 2.97Å; T29-E32 WeakPolarHBondContact OG1-CG 3.32Å; T29-E32 PolarHBondContact OG1-N 3.31Å; T29-E32 PolarHBondContact OG1-OE2 2.82Å; T29-L33 PolarHBondContact O-N 2.95Å
30Q90.8Very high91.4Very high110 Ų11058.3 Ų58.351%0.51430%0.303SS..Hα-helixtrans-62.1-36.5177.3-166.861.432.700111.5E32 L33 D34Q30-E32 VanDerWaalsContact C-N 3.29Å; Q30-E32 PolarHBondContact O-N 3.21Å; Q30-L33 PolarHBondContact O-N 3.48Å; Q30-L33 VanDerWaalsContact O-N 3.1Å; Q30-D34 WeakPolarHBondContact CG-OD2 3.43Å; Q30-D34 VanDerWaalsContact NE2-CG 3.34Å; Q30-D34 PolarHBondContact NE2-OD1 3.3Å; Q30-D34 PolarHBondContact NE2-OD2 3.4Å; Q30-D34 WeakPolarHBondContact O-CB 3.36Å; Q30-D34 PolarHBondContact O-N 2.85Å
31D92.3Very high91.5Very high139 Ų13959.4 Ų59.474%0.74331%0.307SS*.Hα-helixtrans-61.1-37.3176.6-62.9-12.1000111.8T29 Q35T29-D31 PolarHBondContact O-N 2.91Å; D31-Q35 WeakPolarHBondContact O-CA 3.45Å; D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.1Å
32E90.9Very high91.5Very high70 Ų7063.6 Ų63.633%0.32734%0.341SS..Hα-helixtrans-70.2-33.2174.7-73.1169.4124.900113V28 T29 Q30V28-E32 HydrophobicContact CG1-CB 3.94Å; T29-E32 PolarHBondContact N-OE2 3.16Å; T29-E32 PolarHBondContact O-N 2.97Å; T29-E32 WeakPolarHBondContact OG1-CG 3.32Å; T29-E32 PolarHBondContact OG1-N 3.31Å; T29-E32 PolarHBondContact OG1-OE2 2.82Å; Q30-E32 VanDerWaalsContact C-N 3.29Å; Q30-E32 PolarHBondContact O-N 3.21Å
33L91.2Very high91.4Very high16 Ų1666 Ų668%0.08435%0.353CS..Hα-helixtrans-74.1-40.2177.6-67.8174000111.8K15 M18 Q19 H22 V28 T29 Q30K15-L33 WeakPolarHBondContact CE-O 3.04Å; K15-L33 PolarHBondContact NZ-O 2.98Å; M18-L33 HydrophobicContact CB-CD2 4.18Å; Q19-L33 HydrophobicContact CB-CD2 4.49Å; Q19-L33 HydrophobicContact CG-CD2 3.88Å; H22-L33 HydrophobicContact CB-CD1 4.41Å; H22-L33 HydrophobicContact CB-CD2 4.14Å; V28-L33 HydrophobicContact CG1-CD2 3.84Å; V28-L33 HydrophobicContact CG1-CG 3.88Å; T29-L33 PolarHBondContact O-N 2.95Å; Q30-L33 PolarHBondContact O-N 3.48Å; Q30-L33 VanDerWaalsContact O-N 3.1Å
34D92.9Very high91.3Very high96 Ų9662.1 Ų62.151%0.51333%0.334SS..Hα-helixtrans-89.6-8.6-175.7-70.8-24.9000113.4K15 Q30 T36K15-D34 PolarHBondContact NZ-O 2.88Å; Q30-D34 WeakPolarHBondContact CG-OD2 3.43Å; Q30-D34 VanDerWaalsContact NE2-CG 3.34Å; Q30-D34 PolarHBondContact NE2-OD1 3.3Å; Q30-D34 PolarHBondContact NE2-OD2 3.4Å; Q30-D34 WeakPolarHBondContact O-CB 3.36Å; Q30-D34 PolarHBondContact O-N 2.85Å; D34-T36 PolarHBondContact O-N 3.13Å
35Q94.2Very high91.5Very high18 Ų1861 Ų618%0.08434%0.335CS..  trans-38.5121.7178.6-174.2176.552.200112.5W11 K15 D31 E39 F40W11-Q35 PolarHBondContact NE1-O 2.66Å; K15-Q35 PolarHBondContact NZ-O 3.47Å; D31-Q35 WeakPolarHBondContact O-CA 3.45Å; D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.1Å; Q35-E39 HydrophobicContact CG-CB 4.18Å; Q35-F40 HydrophobicContact CG-CB 4.35Å
36T95.8Very high91.5Very high65 Ų6564.1 Ų64.140%0.39935%0.346SS..  trans-81.4163.7177.265.90000111.3W11 D34 E38 E39 F40W11-T36 PolarHBondContact NE1-O 2.85Å; D34-T36 PolarHBondContact O-N 3.13Å; T36-E38 VanDerWaalsContact C-N 3.28Å; T36-E38 PolarHBondContact O-N 2.99Å; T36-E39 WeakPolarHBondContact CB-OE2 3.37Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.43Å; T36-E39 PolarHBondContact N-OE2 2.98Å; T36-E39 PolarHBondContact O-N 3.29Å; T36-E39 WeakPolarHBondContact OG1-CB 3.4Å; T36-E39 VanDerWaalsContact OG1-CG 3.23Å; T36-E39 WeakPolarHBondContact OG1-CG 3.39Å; T36-E39 PolarHBondContact OG1-N 2.99Å; T36-E39 PolarHBondContact OG1-OE2 3.47Å; T36-F40 WeakPolarHBondContact O-CB 3.37Å; T36-F40 PolarHBondContact O-N 2.96Å
37L93.5Very high91.1Very high33 Ų3368.3 Ų68.317%0.17336%0.364CS..Hα-helixtrans-61.7-39.4176.3179.464.6000111.7T7 Y8 W11 F40 K41T7-L37 HydrophobicContact CG2-CD1 4.43Å; Y8-L37 HydrophobicContact CD2-CD1 4.37Å; Y8-L37 HydrophobicContact CD2-CD2 3.99Å; W11-L37 HydrophobicContact CB-CD1 3.75Å; W11-L37 HydrophobicContact CD2-CB 4.21Å; W11-L37 HydrophobicContact CD2-CD1 4.03Å; W11-L37 HydrophobicContact CE3-CB 4.48Å; W11-L37 HydrophobicContact CE3-CD1 4.21Å; W11-L37 HydrophobicContact CG-CD1 3.84Å; L37-F40 WeakPolarHBondContact O-CB 3.39Å; L37-F40 PolarHBondContact O-N 2.84Å; L37-K41 HydrophobicContact CG-CD 4.32Å; L37-K41 WeakPolarHBondContact O-CG 3.41Å; L37-K41 PolarHBondContact O-N 3.21Å
38E93.7Very high90.6Very high119 Ų11964.2 Ų64.256%0.55634%0.344SS*.Hα-helixtrans-69.8-39.5-178.1-63.4-54.3125.900111.7T36 F40 K41 A42T36-E38 VanDerWaalsContact C-N 3.28Å; T36-E38 PolarHBondContact O-N 2.99Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.43Å; E38-K41 PolarHBondContact O-N 3.43Å; E38-K41 IonicContact OE1-NZ 2.83Å; E38-K41 PolarHBondContact OE1-NZ 3.46Å; E38-A42 WeakPolarHBondContact O-CB 3.43Å; E38-A42 PolarHBondContact O-N 2.78Å
39E93.9Very high89.9Confident95 Ų9567.6 Ų67.644%0.44437%0.369SS..Hα-helixtrans-64.1-39.6172-71.2161.3152.100111.7Q35 T36 A42 Q43Q35-E39 HydrophobicContact CG-CB 4.18Å; T36-E39 WeakPolarHBondContact CB-OE2 3.37Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.43Å; T36-E39 PolarHBondContact N-OE2 2.98Å; T36-E39 PolarHBondContact O-N 3.29Å; T36-E39 WeakPolarHBondContact OG1-CB 3.4Å; T36-E39 VanDerWaalsContact OG1-CG 3.23Å; T36-E39 WeakPolarHBondContact OG1-CG 3.39Å; T36-E39 PolarHBondContact OG1-N 2.99Å; T36-E39 PolarHBondContact OG1-OE2 3.47Å; E39-A42 PolarHBondContact O-N 3.33Å; E39-Q43 WeakPolarHBondContact O-CB 3.3Å; E39-Q43 VanDerWaalsContact O-CG 3.29Å; E39-Q43 WeakPolarHBondContact O-CG 3.32Å; E39-Q43 PolarHBondContact O-N 3.36Å
40F93.1Very high89.4Confident0 Ų070.5 Ų70.50%038%0.378CS..Hα-helixtrans-62.6-45.5175.6176.3-96000111.9T7 L10 W11 Q35 T36 L37 E38 Q43 S44 P53 L58T7-F40 HydrophobicContact CG2-CD1 4.24Å; T7-F40 HydrophobicContact CG2-CE1 4.11Å; L10-F40 HydrophobicContact CB-CE1 4.47Å; L10-F40 HydrophobicContact CB-CZ 4.28Å; W11-F40 HydrophobicContact CB-CB 4.49Å; W11-F40 HydrophobicContact CB-CD1 3.72Å; W11-F40 HydrophobicContact CB-CE1 4.03Å; W11-F40 HydrophobicContact CB-CG 3.98Å; W11-F40 AromaticContact CD1-CG 3.81Å; W11-F40 HydrophobicContact CG-CB 4.3Å; W11-F40 HydrophobicContact CG-CD1 4.41Å; W11-F40 HydrophobicContact CG-CG 4.27Å; Q35-F40 HydrophobicContact CG-CB 4.35Å; T36-F40 WeakPolarHBondContact O-CB 3.37Å; T36-F40 PolarHBondContact O-N 2.96Å; L37-F40 WeakPolarHBondContact O-CB 3.39Å; L37-F40 PolarHBondContact O-N 2.84Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.43Å; F40-Q43 PolarHBondContact O-N 2.8Å; F40-S44 WeakPolarHBondContact O-CB 3.35Å; F40-S44 PolarHBondContact O-N 3.39Å; F40-S44 PolarHBondContact O-OG 3.14Å; F40-P53 HydrophobicContact CE1-CG 4.14Å; F40-P53 HydrophobicContact CZ-CB 4.38Å; F40-P53 HydrophobicContact CZ-CG 4.17Å; F40-L58 HydrophobicContact CE2-CD2 3.6Å; F40-L58 HydrophobicContact CZ-CD1 4.47Å; F40-L58 HydrophobicContact CZ-CD2 3.76Å
41K91.2Very high88.8Confident34 Ų3466.9 Ų66.915%0.14837%0.369CS..Hα-helixtrans-60.3-43.4174.2-75.5175-179.9171.60111.5T7 L37 E38 Q43 G45 D46T7-K41 HydrophobicContact CG2-CG 3.8Å; L37-K41 HydrophobicContact CG-CD 4.32Å; L37-K41 WeakPolarHBondContact O-CG 3.41Å; L37-K41 PolarHBondContact O-N 3.21Å; E38-K41 PolarHBondContact O-N 3.43Å; E38-K41 IonicContact OE1-NZ 2.83Å; E38-K41 PolarHBondContact OE1-NZ 3.46Å; K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 PolarHBondContact O-N 2.86Å; K41-G45 CarbonylContact O-C 2.78Å; K41-G45 WeakPolarHBondContact O-CA 3.38Å; K41-G45 PolarHBondContact O-N 3.42Å; K41-D46 HydrophobicContact CB-CB 4.11Å; K41-D46 HydrophobicContact CD-CB 4.07Å; K41-D46 HydrophobicContact CG-CB 3.82Å
42A90.7Very high88.2Confident88 Ų8868.4 Ų68.473%0.72737%0.365SS*.Hα-helixtrans-63.2-37.2178.700000112.6E38 E39E38-A42 WeakPolarHBondContact O-CB 3.43Å; E38-A42 PolarHBondContact O-N 2.78Å; E39-A42 PolarHBondContact O-N 3.33Å
43Q87.3Confident87.8Confident138 Ų13865.3 Ų65.365%0.64535%0.351SS*.Hα-helixtrans-82.3-40.4-179.2-69.3174.112.300113.1E39 F40 K41E39-Q43 WeakPolarHBondContact O-CB 3.3Å; E39-Q43 VanDerWaalsContact O-CG 3.29Å; E39-Q43 WeakPolarHBondContact O-CG 3.32Å; E39-Q43 PolarHBondContact O-N 3.36Å; F40-Q43 PolarHBondContact O-N 2.8Å; K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 PolarHBondContact O-N 2.86Å
44S85.1Confident87.6Confident25 Ų2570.7 Ų70.718%0.17537%0.37CS..Hα-helixtrans-111-13.1-166.9-42.40000113.4F40 P53F40-S44 WeakPolarHBondContact O-CB 3.35Å; F40-S44 PolarHBondContact O-N 3.39Å; F40-S44 PolarHBondContact O-OG 3.14Å; S44-P53 WeakPolarHBondContact O-CA 3.47Å; S44-P53 WeakPolarHBondContact O-CB 3.48Å
45G87.6Confident87.3Confident16 Ų1667.1 Ų67.117%0.16535%0.349CS..  trans91.8169.8-171.300000113.2K41 P53K41-G45 CarbonylContact O-C 2.78Å; K41-G45 WeakPolarHBondContact O-CA 3.38Å; K41-G45 PolarHBondContact O-N 3.42Å; G45-P53 WeakPolarHBondContact O-CD 3.31Å
46D86.9Confident87Confident86 Ų8669.4 Ų69.446%0.4637%0.365SS..SBendtrans-131.46.7-171.864.4-21.4000113.9T7 K41 P48 R52T7-D46 PolarHBondContact OG1-O 3.49Å; K41-D46 HydrophobicContact CB-CB 4.11Å; K41-D46 HydrophobicContact CD-CB 4.07Å; K41-D46 HydrophobicContact CG-CB 3.82Å; D46-P48 VanDerWaalsContact C-CD 3.49Å; D46-P48 WeakPolarHBondContact O-CD 3.48Å; D46-R52 PolarHBondContact N-O 2.89Å
47K84.5Confident86.6Confident89 Ų8970.4 Ų70.439%0.38737%0.367SS..BIsolated β-bridgetrans-12378.4179.5-66.4-174.9179.5179.30112.4S49 E50 G51 R52K47-S49 PolarHBondContact O-N 2.93Å; K47-S49 VanDerWaalsContact O-N 3.16Å; K47-E50 HydrophobicContact CB-CB 4.11Å; K47-E50 HydrophobicContact CB-CG 4.2Å; K47-E50 HydrophobicContact CD-CG 4.12Å; K47-E50 WeakPolarHBondContact CD-OE1 3.39Å; K47-E50 IonicContact NZ-OE1 3.1Å; K47-E50 PolarHBondContact NZ-OE1 2.83Å; K47-E50 IonicContact NZ-OE2 3.52Å; K47-E50 PolarHBondContact O-N 3.36Å; K47-G51 PolarHBondContact O-N 3.07Å; K47-R52 CarbonylContact C-O 3.6Å; K47-R52 VanDerWaalsContact CA-O 3.31Å; K47-R52 WeakPolarHBondContact CA-O 3.43Å; K47-R52 PolarHBondContact N-O 2.93Å; K47-R52 PolarHBondContact O-N 2.86Å
48P80Confident86.4Confident27 Ų2768.8 Ų68.818%0.17536%0.359CS..G310 helixtrans-52.1-33.3174.8-27.532.8000113.5E6 T7 D46 E50 G51E6-P48 HydrophobicContact CB-CB 4.33Å; E6-P48 HydrophobicContact CB-CG 3.96Å; E6-P48 HydrophobicContact CG-CB 3.83Å; E6-P48 HydrophobicContact CG-CG 3.81Å; T7-P48 VanDerWaalsContact OG1-CD 3.24Å; T7-P48 WeakPolarHBondContact OG1-CD 3.13Å; T7-P48 VanDerWaalsContact OG1-CG 3.32Å; T7-P48 WeakPolarHBondContact OG1-CG 3.37Å; D46-P48 VanDerWaalsContact C-CD 3.49Å; D46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.48Å; P48-G51 WeakPolarHBondContact O-CA 3.44Å; P48-G51 PolarHBondContact O-N 2.82Å
49S78.9Confident86.3Confident84 Ų8465 Ų6559%0.58734%0.344SS*.G310 helixtrans-59.6-32.3174.465.30000114.3D3 K47D3-S49 VanDerWaalsContact CG-OG 3.31Å; D3-S49 WeakPolarHBondContact OD1-CB 3.48Å; D3-S49 PolarHBondContact OD1-N 2.97Å; D3-S49 PolarHBondContact OD1-OG 2.75Å; D3-S49 WeakPolarHBondContact OD2-CB 3.15Å; D3-S49 PolarHBondContact OD2-OG 3.39Å; K47-S49 PolarHBondContact O-N 2.93Å; K47-S49 VanDerWaalsContact O-N 3.16Å
50E83.5Confident86.2Confident133 Ų13361.7 Ų61.762%0.62133%0.33SS*.G310 helixtrans-88.76.2173.3-63.9-178-164.200111.8K47 P48K47-E50 HydrophobicContact CB-CB 4.11Å; K47-E50 HydrophobicContact CB-CG 4.2Å; K47-E50 HydrophobicContact CD-CG 4.12Å; K47-E50 WeakPolarHBondContact CD-OE1 3.39Å; K47-E50 IonicContact NZ-OE1 3.1Å; K47-E50 PolarHBondContact NZ-OE1 2.83Å; K47-E50 IonicContact NZ-OE2 3.52Å; K47-E50 PolarHBondContact O-N 3.36Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.48Å
51G78.1Confident86.2Confident33 Ų3365.3 Ų65.334%0.3435%0.349SS..THydrogen-bonded Turntrans7925.6-178.100000113.4K47 P48 R54K47-G51 PolarHBondContact O-N 3.07Å; P48-G51 WeakPolarHBondContact O-CA 3.44Å; P48-G51 PolarHBondContact O-N 2.82Å; G51-R54 WeakPolarHBondContact O-CG 3.21Å; G51-R54 PolarHBondContact O-N 3.1Å
52R80.3Confident86.2Confident171 Ų17164.1 Ų64.165%0.64535%0.345SS*.BIsolated β-bridgetrans-135.2113.4177-65.9-171.4-179.8-167.60.6111.5D46 K47D46-R52 PolarHBondContact N-O 2.89Å; K47-R52 CarbonylContact C-O 3.6Å; K47-R52 VanDerWaalsContact CA-O 3.31Å; K47-R52 WeakPolarHBondContact CA-O 3.43Å; K47-R52 PolarHBondContact N-O 2.93Å; K47-R52 PolarHBondContact O-N 2.86Å
53P82.4Confident86.4Confident6 Ų661.3 Ų61.34%0.03932%0.321CS..SBendcis-76.4136.710.630.3-37000113.4L10 F40 S44 G45L10-P53 HydrophobicContact CD1-CG 3.61Å; F40-P53 HydrophobicContact CE1-CG 4.14Å; F40-P53 HydrophobicContact CZ-CB 4.38Å; F40-P53 HydrophobicContact CZ-CG 4.17Å; S44-P53 WeakPolarHBondContact O-CA 3.47Å; S44-P53 WeakPolarHBondContact O-CB 3.48Å; G45-P53 WeakPolarHBondContact O-CD 3.31Å
54R85.3Confident86.6Confident128 Ų12856.5 Ų56.548%0.48330%0.299SS..  trans-72.7136.1164.6-63.3-177.4-71.7-156.6-0.2108.3G51 T56 D57G51-R54 WeakPolarHBondContact O-CG 3.21Å; G51-R54 PolarHBondContact O-N 3.1Å; R54-T56 WeakPolarHBondContact CB-OG1 3.49Å; R54-T56 PolarHBondContact O-N 3.36Å; R54-D57 HydrophobicContact CB-CB 4.45Å; R54-D57 IonicContact CZ-OD1 3.84Å; R54-D57 IonicContact CZ-OD2 3.95Å; R54-D57 IonicContact NE-OD1 2.96Å; R54-D57 IonicContact NE-OD2 3.72Å; R54-D57 PolarHBondContact NE-OD2 2.85Å; R54-D57 IonicContact NH2-OD1 3.16Å; R54-D57 PolarHBondContact NH2-OD1 2.79Å; R54-D57 IonicContact NH2-OD2 3.91Å; R54-D57 PolarHBondContact NH2-OD2 3.36Å; R54-D57 PolarHBondContact O-N 3.19Å; R54-D57 VanDerWaalsContact O-N 3.07Å
55R88.1Confident86.8Confident22 Ų2259.7 Ų59.78%0.08331%0.314CS..G310 helixtrans-61.4-33.8176-63.3-176.468.496.44.9110.7L10 D57 L58 F76 P77 E78 V105 Q107L10-R55 VanDerWaalsContact CD2-NH1 3.27Å; R55-D57 VanDerWaalsContact C-N 3.28Å; R55-D57 PolarHBondContact O-N 3.17Å; R55-L58 WeakPolarHBondContact O-CB 3.46Å; R55-L58 PolarHBondContact O-N 2.97Å; R55-F76 CarbonylContact C-O 3.6Å; R55-F76 VanDerWaalsContact C-O 3.25Å; R55-F76 HydrophobicContact CB-CB 4.04Å; R55-F76 VanDerWaalsContact CB-O 3.23Å; R55-F76 WeakPolarHBondContact CB-O 3.36Å; R55-F76 WeakPolarHBondContact O-CB 3.42Å; R55-P77 VanDerWaalsContact CD-O 3.24Å; R55-P77 WeakPolarHBondContact CD-O 3.42Å; R55-P77 PolarHBondContact NE-O 3.26Å; R55-E78 HydrophobicContact CB-CG 3.97Å; R55-V105 PolarHBondContact NH2-O 3.05Å; R55-Q107 VanDerWaalsContact CZ-CG 3.47Å
56T86.6Confident86.7Confident66 Ų6665.8 Ų65.841%0.40534%0.343SS..G310 helixtrans-56-39.1173.742.50000113.4R54 L58 T59 E78R54-T56 WeakPolarHBondContact CB-OG1 3.49Å; R54-T56 PolarHBondContact O-N 3.36Å; T56-L58 PolarHBondContact O-N 3.12Å; T56-T59 VanDerWaalsContact O-CB 3.28Å; T56-T59 WeakPolarHBondContact O-CB 3.32Å; T56-T59 PolarHBondContact O-N 3.06Å; T56-T59 VanDerWaalsContact O-N 3.13Å; T56-T59 PolarHBondContact O-OG1 3.42Å; T56-E78 HydrophobicContact CG2-CG 4.19Å; T56-E78 WeakPolarHBondContact CG2-OE1 3.32Å; T56-E78 PolarHBondContact OG1-OE1 3.47Å
57D87.3Confident86.7Confident85 Ų8565.1 Ų65.146%0.45534%0.339SS..G310 helixtrans-71.9-13.4178.4-61-27.2000112.8R54 R55R54-D57 HydrophobicContact CB-CB 4.45Å; R54-D57 IonicContact CZ-OD1 3.84Å; R54-D57 IonicContact CZ-OD2 3.95Å; R54-D57 IonicContact NE-OD1 2.96Å; R54-D57 IonicContact NE-OD2 3.72Å; R54-D57 PolarHBondContact NE-OD2 2.85Å; R54-D57 IonicContact NH2-OD1 3.16Å; R54-D57 PolarHBondContact NH2-OD1 2.79Å; R54-D57 IonicContact NH2-OD2 3.91Å; R54-D57 PolarHBondContact NH2-OD2 3.36Å; R54-D57 PolarHBondContact O-N 3.19Å; R54-D57 VanDerWaalsContact O-N 3.07Å; R55-D57 VanDerWaalsContact C-N 3.28Å; R55-D57 PolarHBondContact O-N 3.17Å
58L89.9Confident86.8Confident0 Ų065.4 Ų65.40%035%0.35CS..G310 helixtrans-87.6-6173.7-54.5-179.4000113.1L10 F40 R55 T56 V60 F76L10-L58 HydrophobicContact CB-CD1 4.27Å; L10-L58 HydrophobicContact CD1-CD1 4.43Å; L10-L58 HydrophobicContact CD2-CD1 3.93Å; L10-L58 HydrophobicContact CG-CD1 4.46Å; F40-L58 HydrophobicContact CE2-CD2 3.6Å; F40-L58 HydrophobicContact CZ-CD1 4.47Å; F40-L58 HydrophobicContact CZ-CD2 3.76Å; R55-L58 WeakPolarHBondContact O-CB 3.46Å; R55-L58 PolarHBondContact O-N 2.97Å; T56-L58 PolarHBondContact O-N 3.12Å; L58-V60 PolarHBondContact O-N 2.76Å; L58-F76 HydrophobicContact CB-CB 4.16Å; L58-F76 HydrophobicContact CB-CD1 4.11Å; L58-F76 HydrophobicContact CB-CD2 3.87Å; L58-F76 HydrophobicContact CB-CE1 4.41Å; L58-F76 HydrophobicContact CB-CE2 4.18Å; L58-F76 HydrophobicContact CB-CG 3.82Å; L58-F76 HydrophobicContact CB-CZ 4.43Å; L58-F76 HydrophobicContact CD1-CD1 4.26Å; L58-F76 WeakPolarHBondContact O-CD2 3.39Å; L58-F76 WeakPolarHBondContact O-CE2 3.48Å
59T90.9Very high87.1Confident40 Ų4069.7 Ų69.725%0.24538%0.376CS..  trans-67.6128.4177.3-62.40000109.8T56 V74 F75 F76T56-T59 VanDerWaalsContact O-CB 3.28Å; T56-T59 WeakPolarHBondContact O-CB 3.32Å; T56-T59 PolarHBondContact O-N 3.06Å; T56-T59 VanDerWaalsContact O-N 3.13Å; T56-T59 PolarHBondContact O-OG1 3.42Å; T59-V74 WeakPolarHBondContact CA-O 3.49Å; T59-V74 WeakPolarHBondContact CG2-O 3.08Å; T59-F75 HydrophobicContact CG2-CD1 3.52Å; T59-F75 HydrophobicContact CG2-CE1 3.91Å; T59-F75 HydrophobicContact CG2-CG 4.42Å; T59-F76 PolarHBondContact OG1-N 3.48Å
60V92.3Very high87.4Confident24 Ų2467.4 Ų67.415%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-130.4153.1-176.8-65.20000111.7M18 L58 F73 V74M18-V60 HydrophobicContact CE-CB 4.21Å; M18-V60 HydrophobicContact CE-CG1 3.81Å; M18-V60 HydrophobicContact CE-CG2 3.79Å; L58-V60 PolarHBondContact O-N 2.76Å; V60-F73 CarbonylContact O-C 3.6Å; V60-V74 HydrophobicContact CG2-CB 3.83Å; V60-V74 HydrophobicContact CG2-CG2 4.13Å; V60-V74 PolarHBondContact N-O 2.85Å; V60-V74 PolarHBondContact O-N 2.81Å
61L92.9Very high87.8Confident76 Ų7663.9 Ų63.940%0.39834%0.341SS..EExtended strand (participates in β ladder)trans-113.1125.2171.8175.459.8000107.8Q71 F73 I99L61-Q71 HydrophobicContact CD1-CB 4.02Å; L61-F73 HydrophobicContact CB-CD1 4.14Å; L61-F73 HydrophobicContact CB-CE1 3.94Å; L61-F73 HydrophobicContact CD1-CD1 4.06Å; L61-F73 HydrophobicContact CD1-CD2 4.45Å; L61-F73 HydrophobicContact CD1-CE1 4.06Å; L61-F73 HydrophobicContact CD1-CE2 4.48Å; L61-F73 HydrophobicContact CD1-CG 4.26Å; L61-F73 HydrophobicContact CD1-CZ 4.27Å; L61-F73 HydrophobicContact CD2-CE1 4.45Å; L61-F73 HydrophobicContact CD2-CZ 4.49Å; L61-F73 HydrophobicContact CG-CE1 4.38Å; L61-I99 HydrophobicContact CD1-CD1 3.41Å; L61-I99 VanDerWaalsContact CD1-CD1 3.41Å; L61-I99 HydrophobicContact CD2-CD1 4.12Å; L61-I99 HydrophobicContact CG-CD1 4.42Å
62V92.9Very high88.5Confident10 Ų1062.5 Ų62.56%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-116.8142.2176.6-640000110.3C21 Y26 Q71 M72C21-V62 HydrophobicContact CB-CG1 4.31Å; C21-V62 HydrophobicContact CB-CG2 4.31Å; Y26-V62 HydrophobicContact CD1-CB 4.09Å; Y26-V62 HydrophobicContact CD1-CG2 3.59Å; Y26-V62 HydrophobicContact CE1-CG2 4.24Å; Y26-V62 HydrophobicContact CG-CB 4.29Å; Y26-V62 HydrophobicContact CG-CG2 3.81Å; V62-Q71 CarbonylContact O-C 3.46Å; V62-Q71 WeakPolarHBondContact O-CA 3.44Å; V62-M72 HydrophobicContact CG2-CB 3.98Å; V62-M72 HydrophobicContact CG2-CE 3.83Å; V62-M72 WeakPolarHBondContact CG2-O 3.45Å; V62-M72 PolarHBondContact N-O 2.96Å; V62-M72 PolarHBondContact O-N 2.8Å
63A93.3Very high89.1Confident28 Ų2855.6 Ų55.623%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-112.2143.7178.500000110.6Y26 L27 Q71Y26-A63 CarbonylContact C-O 3.52Å; Y26-A63 WeakPolarHBondContact CA-O 3.29Å; L27-A63 WeakPolarHBondContact CB-O 3.32Å; L27-A63 PolarHBondContact N-O 3.48Å; A63-Q71 HydrophobicContact CB-CG 4.12Å
64H92.3Very high89.7Confident37 Ų3755.3 Ų55.317%0.17130%0.298CS..BIsolated β-bridgetrans-72.5143.5179.6-166-92.1000111.7R24 G25 Y26 D66 D67 D70R24-H64 PolarHBondContact O-NE2 3.34Å; G25-H64 PolarHBondContact O-CD2 3.18Å; Y26-H64 HydrophobicContact CD1-CB 4.26Å; Y26-H64 HydrophobicContact CE1-CB 4.18Å; H64-D66 IonicContact CE1-OD2 2.66Å; H64-D66 PolarHBondContact CE1-OD2 2.98Å; H64-D66 PolarHBondContact ND1-N 3.28Å; H64-D66 VanDerWaalsContact ND1-N 3.12Å; H64-D67 WeakPolarHBondContact CB-O 3.27Å; H64-D67 CarbonylContact O-C 3.55Å; H64-D70 HydrophobicContact CB-CB 3.87Å; H64-D70 WeakPolarHBondContact CB-O 3.22Å; H64-D70 PolarHBondContact N-O 2.97Å
65N88.8Confident90.2Very high93 Ų9349.3 Ų49.350%0.49728%0.276SS..SBendtrans-65.3-41.9-179.1-79.9-24.9000112.5G25 L27G25-N65 WeakPolarHBondContact O-CB 3.33Å; G25-N65 PolarHBondContact O-N 2.85Å; L27-N65 WeakPolarHBondContact CA-OD1 3.19Å; L27-N65 WeakPolarHBondContact CB-OD1 3.42Å; L27-N65 WeakPolarHBondContact CD1-OD1 3.44Å
66D86.6Confident90.5Very high144 Ų14448.3 Ų48.377%0.7727%0.272SS*.SBendtrans-84.7-23.6-176.4-57.1-39.1000113.3H64H64-D66 IonicContact CE1-OD2 2.66Å; H64-D66 PolarHBondContact CE1-OD2 2.98Å; H64-D66 PolarHBondContact ND1-N 3.28Å; H64-D66 VanDerWaalsContact ND1-N 3.12Å
67D86.1Confident90.8Very high72 Ų7245.2 Ų45.239%0.38525%0.253SS..  trans-141.496.1-176.3-176.5-5.5000109.7H64 T69 D70H64-D67 WeakPolarHBondContact CB-O 3.27Å; H64-D67 CarbonylContact O-C 3.55Å; D67-T69 PolarHBondContact O-N 2.81Å; D67-T69 WeakPolarHBondContact OD1-CB 3.43Å; D67-T69 PolarHBondContact OD1-N 3.05Å; D67-T69 PolarHBondContact OD1-OG1 3.37Å; D67-T69 PolarHBondContact OD2-OG1 2.87Å; D67-D70 HydrophobicContact CB-CB 4.21Å; D67-D70 PolarHBondContact O-N 3.3Å
68P85.6Confident90.9Very high95 Ų9546 Ų4662%0.61725%0.254SS*.THydrogen-bonded Turntrans-61.1-15.5-179.9-24.934.9000114.6Q71P68-Q71 WeakPolarHBondContact O-CG 3.23Å
69T86.8Confident90.9Very high116 Ų11649 Ų4971%0.71227%0.268SS*.THydrogen-bonded Turntrans-82.4-19.717575.10000112.5D67 Q71D67-T69 PolarHBondContact O-N 2.81Å; D67-T69 WeakPolarHBondContact OD1-CB 3.43Å; D67-T69 PolarHBondContact OD1-N 3.05Å; D67-T69 PolarHBondContact OD1-OG1 3.37Å; D67-T69 PolarHBondContact OD2-OG1 2.87Å; T69-Q71 PolarHBondContact O-N 2.8Å; T69-Q71 VanDerWaalsContact O-N 3.11Å
70D86.4Confident90.9Very high37 Ų3750 Ų5020%0.19828%0.275CS..  trans-81.288.9170.8-174.11.7000109.5Y26 H64 D67 R101Y26-D70 PolarHBondContact OH-OD1 3.45Å; H64-D70 HydrophobicContact CB-CB 3.87Å; H64-D70 WeakPolarHBondContact CB-O 3.22Å; H64-D70 PolarHBondContact N-O 2.97Å; D67-D70 HydrophobicContact CB-CB 4.21Å; D67-D70 PolarHBondContact O-N 3.3Å; D70-R101 WeakPolarHBondContact OD1-CD 3.27Å; D70-R101 IonicContact OD1-CZ 2.87Å; D70-R101 IonicContact OD1-NE 3.4Å; D70-R101 IonicContact OD1-NH1 3.43Å; D70-R101 PolarHBondContact OD1-NH1 2.75Å; D70-R101 VanDerWaalsContact OD1-NH1 3.16Å; D70-R101 IonicContact OD2-CZ 3.68Å; D70-R101 IonicContact OD2-NH1 3.07Å; D70-R101 PolarHBondContact OD2-NH1 2.79Å
71Q91.2Very high91Very high59 Ų5954.3 Ų54.328%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-106.8152.5176.9-61.4179.7-58.100111.3L61 V62 A63 P68 T69 I99L61-Q71 HydrophobicContact CD1-CB 4.02Å; V62-Q71 CarbonylContact O-C 3.46Å; V62-Q71 WeakPolarHBondContact O-CA 3.44Å; A63-Q71 HydrophobicContact CB-CG 4.12Å; P68-Q71 WeakPolarHBondContact O-CG 3.23Å; T69-Q71 PolarHBondContact O-N 2.8Å; T69-Q71 VanDerWaalsContact O-N 3.11Å; Q71-I99 HydrophobicContact CB-CD1 4.1Å; Q71-I99 HydrophobicContact CB-CG1 4.01Å
72M91.9Very high91.1Very high4 Ų450.7 Ų50.72%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-137.7129179.5-179.1175.664.500111.3Y26 V62 R101Y26-M72 HydrophobicContact CD2-CE 4.12Å; Y26-M72 HydrophobicContact CE1-CB 3.79Å; Y26-M72 HydrophobicContact CE1-CE 4.48Å; Y26-M72 HydrophobicContact CE2-CE 3.8Å; Y26-M72 HydrophobicContact CE2-SD 4.48Å; V62-M72 HydrophobicContact CG2-CB 3.98Å; V62-M72 HydrophobicContact CG2-CE 3.83Å; V62-M72 WeakPolarHBondContact CG2-O 3.45Å; V62-M72 PolarHBondContact N-O 2.96Å; V62-M72 PolarHBondContact O-N 2.8Å; M72-R101 WeakPolarHBondContact CA-O 3.27Å; M72-R101 HydrophobicContact CB-CB 3.87Å; M72-R101 HydrophobicContact CG-CB 3.79Å; M72-R101 HydrophobicContact SD-CB 4.44Å
73F94.5Very high91.1Very high25 Ų2550.9 Ų50.911%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-81.8146.8169.6-86.1-64.8000111.9V60 L61 F75 M94 E97 I99 R101 A102 L103V60-F73 CarbonylContact O-C 3.6Å; L61-F73 HydrophobicContact CB-CD1 4.14Å; L61-F73 HydrophobicContact CB-CE1 3.94Å; L61-F73 HydrophobicContact CD1-CD1 4.06Å; L61-F73 HydrophobicContact CD1-CD2 4.45Å; L61-F73 HydrophobicContact CD1-CE1 4.06Å; L61-F73 HydrophobicContact CD1-CE2 4.48Å; L61-F73 HydrophobicContact CD1-CG 4.26Å; L61-F73 HydrophobicContact CD1-CZ 4.27Å; L61-F73 HydrophobicContact CD2-CE1 4.45Å; L61-F73 HydrophobicContact CD2-CZ 4.49Å; L61-F73 HydrophobicContact CG-CE1 4.38Å; F73-F75 HydrophobicContact CB-CD2 4.06Å; F73-F75 HydrophobicContact CB-CE1 4.32Å; F73-F75 HydrophobicContact CB-CE2 3.45Å; F73-F75 VanDerWaalsContact CB-CE2 3.45Å; F73-F75 HydrophobicContact CB-CZ 3.6Å; F73-F75 HydrophobicContact CD1-CE1 4.15Å; F73-F75 AromaticContact CD1-CZ 3.98Å; F73-F75 HydrophobicContact CD1-CZ 3.98Å; F73-F75 HydrophobicContact CD2-CE2 4.31Å; F73-F75 AromaticContact CD2-CZ 3.85Å; F73-F75 HydrophobicContact CD2-CZ 3.85Å; F73-F75 HydrophobicContact CE2-CZ 4.49Å; F73-F75 HydrophobicContact CG-CE1 4.19Å; F73-F75 AromaticContact CG-CE2 3.94Å; F73-F75 HydrophobicContact CG-CE2 3.94Å; F73-F75 AromaticContact CG-CZ 3.55Å; F73-F75 HydrophobicContact CG-CZ 3.55Å; F73-M94 HydrophobicContact CD2-CG 3.95Å; F73-E97 HydrophobicContact CE2-CB 4.26Å; F73-E97 HydrophobicContact CE2-CG 4.29Å; F73-E97 HydrophobicContact CZ-CG 4.14Å; F73-I99 HydrophobicContact CD2-CB 4.1Å; F73-I99 HydrophobicContact CD2-CD1 3.76Å; F73-I99 HydrophobicContact CD2-CG2 3.79Å; F73-I99 HydrophobicContact CE2-CB 4.14Å; F73-I99 HydrophobicContact CE2-CD1 3.28Å; F73-I99 HydrophobicContact CE2-CG1 4.25Å; F73-I99 HydrophobicContact CE2-CG2 4.33Å; F73-I99 HydrophobicContact CZ-CD1 3.81Å; F73-R101 PolarHBondContact N-O 3.07Å; F73-A102 HydrophobicContact CB-CB 4.18Å; F73-A102 CarbonylContact O-C 3.56Å; F73-A102 WeakPolarHBondContact O-CA 3.37Å; F73-L103 PolarHBondContact O-N 3.42Å
74V94.2Very high91Very high0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-123.6107.3164.4-171.70000109.2I17 T59 V60 F76 L103 V105I17-V74 HydrophobicContact CD1-CG1 4.26Å; I17-V74 HydrophobicContact CG2-CB 4.42Å; I17-V74 HydrophobicContact CG2-CG1 3.85Å; I17-V74 HydrophobicContact CG2-CG2 4.09Å; T59-V74 WeakPolarHBondContact CA-O 3.49Å; T59-V74 WeakPolarHBondContact CG2-O 3.08Å; V60-V74 HydrophobicContact CG2-CB 3.83Å; V60-V74 HydrophobicContact CG2-CG2 4.13Å; V60-V74 PolarHBondContact N-O 2.85Å; V60-V74 PolarHBondContact O-N 2.81Å; V74-F76 HydrophobicContact CB-CE2 4.43Å; V74-F76 HydrophobicContact CG1-CD2 4.26Å; V74-F76 HydrophobicContact CG1-CE2 3.65Å; V74-F76 HydrophobicContact CG1-CZ 4.33Å; V74-L103 CarbonylContact C-O 3.58Å; V74-L103 WeakPolarHBondContact CA-O 3.42Å; V74-L103 HydrophobicContact CG1-CB 4.18Å; V74-L103 HydrophobicContact CG1-CD2 3.73Å; V74-L103 HydrophobicContact CG2-CB 4.27Å; V74-V105 HydrophobicContact CG1-CG2 4.05Å
75F94.9Very high91.1Very high2 Ų258.9 Ų58.91%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-94.6138-177.7-64.5-69.1000112.3T59 F73 P77 Y90 M94 A102 L103 I104 V105T59-F75 HydrophobicContact CG2-CD1 3.52Å; T59-F75 HydrophobicContact CG2-CE1 3.91Å; T59-F75 HydrophobicContact CG2-CG 4.42Å; F73-F75 HydrophobicContact CB-CD2 4.06Å; F73-F75 HydrophobicContact CB-CE1 4.32Å; F73-F75 HydrophobicContact CB-CE2 3.45Å; F73-F75 VanDerWaalsContact CB-CE2 3.45Å; F73-F75 HydrophobicContact CB-CZ 3.6Å; F73-F75 HydrophobicContact CD1-CE1 4.15Å; F73-F75 AromaticContact CD1-CZ 3.98Å; F73-F75 HydrophobicContact CD1-CZ 3.98Å; F73-F75 HydrophobicContact CD2-CE2 4.31Å; F73-F75 AromaticContact CD2-CZ 3.85Å; F73-F75 HydrophobicContact CD2-CZ 3.85Å; F73-F75 HydrophobicContact CE2-CZ 4.49Å; F73-F75 HydrophobicContact CG-CE1 4.19Å; F73-F75 AromaticContact CG-CE2 3.94Å; F73-F75 HydrophobicContact CG-CE2 3.94Å; F73-F75 AromaticContact CG-CZ 3.55Å; F73-F75 HydrophobicContact CG-CZ 3.55Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å; F75-Y90 HydrophobicContact CB-CD2 4.22Å; F75-Y90 HydrophobicContact CB-CE1 4.27Å; F75-Y90 HydrophobicContact CB-CE2 3.85Å; F75-Y90 AromaticContact CD1-CD1 3.6Å; F75-Y90 HydrophobicContact CD1-CD1 3.6Å; F75-Y90 AromaticContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CG 4.11Å; F75-Y90 HydrophobicContact CD2-CD1 4.29Å; F75-Y90 HydrophobicContact CD2-CD2 4.11Å; F75-Y90 AromaticContact CD2-CG 3.95Å; F75-Y90 HydrophobicContact CD2-CG 3.95Å; F75-Y90 AromaticContact CE1-CD1 3.72Å; F75-Y90 HydrophobicContact CE1-CD1 3.72Å; F75-Y90 HydrophobicContact CE1-CE1 4.14Å; F75-Y90 HydrophobicContact CE1-CG 4.27Å; F75-Y90 HydrophobicContact CE2-CD1 4.37Å; F75-Y90 HydrophobicContact CE2-CG 4.1Å; F75-Y90 AromaticContact CG-CD1 3.91Å; F75-Y90 HydrophobicContact CG-CD1 3.91Å; F75-Y90 HydrophobicContact CG-CD2 4.05Å; F75-Y90 AromaticContact CG-CE1 3.98Å; F75-Y90 HydrophobicContact CG-CE1 3.98Å; F75-Y90 HydrophobicContact CG-CE2 4.11Å; F75-Y90 AromaticContact CG-CG 3.96Å; F75-Y90 HydrophobicContact CG-CG 3.96Å; F75-Y90 HydrophobicContact CZ-CD1 4.11Å; F75-Y90 HydrophobicContact CZ-CG 4.26Å; F75-M94 HydrophobicContact CE2-CG 4.24Å; F75-M94 HydrophobicContact CE2-SD 4.29Å; F75-M94 HydrophobicContact CZ-CG 4.4Å; F75-A102 HydrophobicContact CD2-CB 4.09Å; F75-A102 HydrophobicContact CE2-CB 3.9Å; F75-L103 PolarHBondContact N-O 3.26Å; F75-I104 HydrophobicContact CB-CG1 4.39Å; F75-I104 HydrophobicContact CD2-CG1 4.27Å; F75-V105 PolarHBondContact O-N 3.12Å
76F94.3Very high91.3Very high1 Ų155.9 Ų55.90%0.00429%0.293CS..  trans-120.388.3175-72.2-104.9000109.2I13 I17 R55 L58 T59 V74 V105I13-F76 HydrophobicContact CG2-CE1 3.95Å; I17-F76 HydrophobicContact CD1-CE1 4.01Å; I17-F76 HydrophobicContact CD1-CE2 4.32Å; I17-F76 HydrophobicContact CD1-CZ 3.49Å; I17-F76 VanDerWaalsContact CD1-CZ 3.49Å; R55-F76 CarbonylContact C-O 3.6Å; R55-F76 VanDerWaalsContact C-O 3.25Å; R55-F76 HydrophobicContact CB-CB 4.04Å; R55-F76 VanDerWaalsContact CB-O 3.23Å; R55-F76 WeakPolarHBondContact CB-O 3.36Å; R55-F76 WeakPolarHBondContact O-CB 3.42Å; L58-F76 HydrophobicContact CB-CB 4.16Å; L58-F76 HydrophobicContact CB-CD1 4.11Å; L58-F76 HydrophobicContact CB-CD2 3.87Å; L58-F76 HydrophobicContact CB-CE1 4.41Å; L58-F76 HydrophobicContact CB-CE2 4.18Å; L58-F76 HydrophobicContact CB-CG 3.82Å; L58-F76 HydrophobicContact CB-CZ 4.43Å; L58-F76 HydrophobicContact CD1-CD1 4.26Å; L58-F76 WeakPolarHBondContact O-CD2 3.39Å; L58-F76 WeakPolarHBondContact O-CE2 3.48Å; T59-F76 PolarHBondContact OG1-N 3.48Å; V74-F76 HydrophobicContact CB-CE2 4.43Å; V74-F76 HydrophobicContact CG1-CD2 4.26Å; V74-F76 HydrophobicContact CG1-CE2 3.65Å; V74-F76 HydrophobicContact CG1-CZ 4.33Å; F76-V105 HydrophobicContact CD1-CB 3.84Å; F76-V105 HydrophobicContact CD1-CG1 4.05Å; F76-V105 HydrophobicContact CD1-CG2 4.07Å; F76-V105 HydrophobicContact CD2-CG2 4.4Å; F76-V105 HydrophobicContact CE1-CB 4.02Å; F76-V105 HydrophobicContact CE1-CG1 4.01Å; F76-V105 HydrophobicContact CE1-CG2 3.86Å; F76-V105 HydrophobicContact CE2-CG2 4.21Å; F76-V105 HydrophobicContact CG-CB 4.25Å; F76-V105 HydrophobicContact CG-CG2 4.35Å; F76-V105 HydrophobicContact CZ-CG2 3.94Å
77P93.6Very high91.6Very high1 Ų149.2 Ų49.21%0.00626%0.258CS..  trans-64.4141.2178.623.3-33000112.2R55 F75 E79 V82 Y90 I104 V105 Q107R55-P77 VanDerWaalsContact CD-O 3.24Å; R55-P77 WeakPolarHBondContact CD-O 3.42Å; R55-P77 PolarHBondContact NE-O 3.26Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-E79 HydrophobicContact CB-CG 4.38Å; P77-V82 HydrophobicContact CB-CG2 3.89Å; P77-V82 HydrophobicContact CG-CG2 3.57Å; P77-Y90 WeakPolarHBondContact CA-OH 3.44Å; P77-Y90 WeakPolarHBondContact CB-OH 3.28Å; P77-I104 HydrophobicContact CG-CG2 4.04Å; P77-V105 WeakPolarHBondContact CD-O 3.38Å; P77-Q107 PolarHBondContact O-NE2 3.29Å
78E90.1Very high91.8Very high102 Ų10252 Ų5248%0.47727%0.266SS..SBendtrans-74.6-34.4175.3-76.6-180-165.800112.8R55 T56 Q107R55-E78 HydrophobicContact CB-CG 3.97Å; T56-E78 HydrophobicContact CG2-CG 4.19Å; T56-E78 WeakPolarHBondContact CG2-OE1 3.32Å; T56-E78 PolarHBondContact OG1-OE1 3.47Å; E78-Q107 PolarHBondContact O-NE2 3.22Å
79E90.4Very high92.2Very high63 Ų6350.6 Ų50.629%0.29426%0.256SS..SBendtrans-69.9133.7-179.855.5-177.1-178.700111.9P77 K81 V82 G83 T86P77-E79 HydrophobicContact CB-CG 4.38Å; E79-K81 PolarHBondContact O-N 3.02Å; E79-V82 HydrophobicContact CG-CG2 4.45Å; E79-V82 VanDerWaalsContact OE1-CA 3.28Å; E79-V82 WeakPolarHBondContact OE1-CA 3.47Å; E79-G83 PolarHBondContact OE1-N 3.33Å; E79-T86 WeakPolarHBondContact OE1-CB 3.17Å; E79-T86 PolarHBondContact OE1-OG1 2.87Å
80P90.6Very high92.5Very high60 Ų6046 Ų4639%0.3923%0.226SC..SBendtrans-59.5-35.7179.5-27.734.8000113.5Q108 G109P80-Q108 HydrophobicContact CB-CG 4.18Å; P80-Q108 WeakPolarHBondContact O-CB 3.36Å; P80-Q108 PolarHBondContact O-N 3.26Å; P80-G109 PolarHBondContact O-N 3Å
81K93.1Very high92.7Very high115 Ų11546.8 Ų46.850%0.523%0.233SC..EExtended strand (participates in β ladder)trans-123.3113.4178.6-169.3174.6-174.3173.30110.2E79 G83 G109 T111E79-K81 PolarHBondContact O-N 3.02Å; K81-G83 PolarHBondContact O-N 3.35Å; K81-G109 CarbonylContact C-O 3.35Å; K81-G109 VanDerWaalsContact CA-O 3.31Å; K81-G109 WeakPolarHBondContact CA-O 3.47Å; K81-T111 HydrophobicContact CD-CG2 4.34Å; K81-T111 HydrophobicContact CG-CG2 4.16Å
82V94.7Very high92.7Very high0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-73.4126.9-171.2-175.10000112.3P77 E79 T86 I87 V106 G109 M110 T111 A114P77-V82 HydrophobicContact CB-CG2 3.89Å; P77-V82 HydrophobicContact CG-CG2 3.57Å; E79-V82 HydrophobicContact CG-CG2 4.45Å; E79-V82 VanDerWaalsContact OE1-CA 3.28Å; E79-V82 WeakPolarHBondContact OE1-CA 3.47Å; V82-T86 HydrophobicContact CG1-CG2 4.09Å; V82-I87 HydrophobicContact CG1-CD1 3.75Å; V82-I87 HydrophobicContact CG1-CG1 4.02Å; V82-V106 HydrophobicContact CG2-CB 4.33Å; V82-V106 HydrophobicContact CG2-CG1 3.66Å; V82-G109 PolarHBondContact N-O 3.2Å; V82-M110 HydrophobicContact CB-CG 4.13Å; V82-T111 WeakPolarHBondContact O-CG2 3.37Å; V82-T111 PolarHBondContact O-N 3.4Å; V82-T111 PolarHBondContact O-OG1 2.89Å; V82-T111 VanDerWaalsContact O-OG1 3.08Å; V82-A114 WeakPolarHBondContact O-CB 3.1Å
83G93.9Very high92.7Very high15 Ų1555 Ų5516%0.15527%0.266CS..  trans-89.1161.6178.300000113.7E79 K81 K85 T86 I87E79-G83 PolarHBondContact OE1-N 3.33Å; K81-G83 PolarHBondContact O-N 3.35Å; G83-K85 PolarHBondContact O-N 3.35Å; G83-T86 PolarHBondContact O-N 2.84Å; G83-I87 PolarHBondContact O-N 2.88Å
84I91.7Very high92.6Very high59 Ų5955.2 Ų55.230%0.30327%0.268SS..Hα-helixtrans-60.6-31.2176.3-167.4173.1000112.4I87 K88 L117I84-I87 PolarHBondContact O-N 2.98Å; I84-K88 WeakPolarHBondContact O-CG 3.22Å; I84-K88 PolarHBondContact O-N 3.39Å; I84-L117 HydrophobicContact CD1-CD1 4.01Å; I84-L117 HydrophobicContact CD1-CG 4.49Å; I84-L117 HydrophobicContact CG1-CD1 3.6Å; I84-L117 HydrophobicContact CG1-CG 4.43Å
85K92.9Very high92.3Very high173 Ų17362.6 Ų62.675%0.75230%0.302SS*.Hα-helixtrans-60.3-47.7177.5-68.8-176.3179.3-179.50110.9G83 K88 V89G83-K85 PolarHBondContact O-N 3.35Å; K85-K88 WeakPolarHBondContact O-CB 3.13Å; K85-K88 PolarHBondContact O-N 3.41Å; K85-V89 WeakPolarHBondContact O-CG2 3.4Å; K85-V89 PolarHBondContact O-N 3.19Å
86T94.1Very high92.2Very high30 Ų3068.6 Ų68.618%0.18433%0.331CS..Hα-helixtrans-64.5-42.9179.3-51.70000111.8E79 V82 G83 K88 V89 Y90E79-T86 WeakPolarHBondContact OE1-CB 3.17Å; E79-T86 PolarHBondContact OE1-OG1 2.87Å; V82-T86 HydrophobicContact CG1-CG2 4.09Å; G83-T86 PolarHBondContact O-N 2.84Å; T86-K88 VanDerWaalsContact C-N 3.33Å; T86-K88 PolarHBondContact O-N 3.37Å; T86-V89 PolarHBondContact O-N 3.28Å; T86-Y90 HydrophobicContact CG2-CD2 4.25Å; T86-Y90 HydrophobicContact CG2-CE1 4.29Å; T86-Y90 HydrophobicContact CG2-CE2 3.6Å; T86-Y90 PolarHBondContact O-N 2.88Å
87I92.6Very high91.9Very high5 Ų574.1 Ų74.13%0.02636%0.356CS..Hα-helixtrans-59.9-43.8174.3-61.5-58.1000111.2V82 G83 I84 V89 Y90 C91 I104 A114 L117V82-I87 HydrophobicContact CG1-CD1 3.75Å; V82-I87 HydrophobicContact CG1-CG1 4.02Å; G83-I87 PolarHBondContact O-N 2.88Å; I84-I87 PolarHBondContact O-N 2.98Å; I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 3.2Å; I87-Y90 PolarHBondContact O-N 3.46Å; I87-C91 PolarHBondContact O-N 3.1Å; I87-C91 PolarHBondContact O-SG 3.39Å; I87-I104 HydrophobicContact CD1-CD1 3.65Å; I87-A114 HydrophobicContact CG1-CB 3.86Å; I87-L117 HydrophobicContact CB-CD1 4.42Å; I87-L117 HydrophobicContact CG2-CB 3.94Å; I87-L117 HydrophobicContact CG2-CD1 3.9Å
88K90.2Very high91.7Very high130 Ų13080.9 Ų80.957%0.56539%0.392SS*.Hα-helixtrans-60.8-40.5176.4-75.3-176.6176.1-169.30112.4I84 K85 T86 Y90 C91 Q92 L117I84-K88 WeakPolarHBondContact O-CG 3.22Å; I84-K88 PolarHBondContact O-N 3.39Å; K85-K88 WeakPolarHBondContact O-CB 3.13Å; K85-K88 PolarHBondContact O-N 3.41Å; T86-K88 VanDerWaalsContact C-N 3.33Å; T86-K88 PolarHBondContact O-N 3.37Å; K88-Y90 VanDerWaalsContact C-N 3.34Å; K88-C91 PolarHBondContact O-N 3.34Å; K88-Q92 WeakPolarHBondContact O-CB 3.5Å; K88-Q92 PolarHBondContact O-N 3.5Å; K88-L117 HydrophobicContact CG-CD1 4.28Å
89V94Very high91.7Very high66 Ų6676.5 Ų76.540%0.437%0.372SS..Hα-helixtrans-61.8-43174.9172.20000110.9K85 T86 I87 Q92 R93K85-V89 WeakPolarHBondContact O-CG2 3.4Å; K85-V89 PolarHBondContact O-N 3.19Å; T86-V89 PolarHBondContact O-N 3.28Å; I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 3.2Å; V89-Q92 PolarHBondContact O-N 3.25Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.96Å
90Y93.9Very high91.2Very high20 Ų2079.2 Ų79.28%0.07839%0.393CS..Hα-helixtrans-65.7-43.1175.6-62.6-26.4000112.5F75 P77 T86 I87 K88 Q92 R93 M94 I104F75-Y90 HydrophobicContact CB-CD2 4.22Å; F75-Y90 HydrophobicContact CB-CE1 4.27Å; F75-Y90 HydrophobicContact CB-CE2 3.85Å; F75-Y90 AromaticContact CD1-CD1 3.6Å; F75-Y90 HydrophobicContact CD1-CD1 3.6Å; F75-Y90 AromaticContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CG 4.11Å; F75-Y90 HydrophobicContact CD2-CD1 4.29Å; F75-Y90 HydrophobicContact CD2-CD2 4.11Å; F75-Y90 AromaticContact CD2-CG 3.95Å; F75-Y90 HydrophobicContact CD2-CG 3.95Å; F75-Y90 AromaticContact CE1-CD1 3.72Å; F75-Y90 HydrophobicContact CE1-CD1 3.72Å; F75-Y90 HydrophobicContact CE1-CE1 4.14Å; F75-Y90 HydrophobicContact CE1-CG 4.27Å; F75-Y90 HydrophobicContact CE2-CD1 4.37Å; F75-Y90 HydrophobicContact CE2-CG 4.1Å; F75-Y90 AromaticContact CG-CD1 3.91Å; F75-Y90 HydrophobicContact CG-CD1 3.91Å; F75-Y90 HydrophobicContact CG-CD2 4.05Å; F75-Y90 AromaticContact CG-CE1 3.98Å; F75-Y90 HydrophobicContact CG-CE1 3.98Å; F75-Y90 HydrophobicContact CG-CE2 4.11Å; F75-Y90 AromaticContact CG-CG 3.96Å; F75-Y90 HydrophobicContact CG-CG 3.96Å; F75-Y90 HydrophobicContact CZ-CD1 4.11Å; F75-Y90 HydrophobicContact CZ-CG 4.26Å; P77-Y90 WeakPolarHBondContact CA-OH 3.44Å; P77-Y90 WeakPolarHBondContact CB-OH 3.28Å; T86-Y90 HydrophobicContact CG2-CD2 4.25Å; T86-Y90 HydrophobicContact CG2-CE1 4.29Å; T86-Y90 HydrophobicContact CG2-CE2 3.6Å; T86-Y90 PolarHBondContact O-N 2.88Å; I87-Y90 PolarHBondContact O-N 3.46Å; K88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-Q92 VanDerWaalsContact C-N 3.3Å; Y90-Q92 PolarHBondContact O-N 2.88Å; Y90-R93 PolarHBondContact O-N 3.05Å; Y90-M94 WeakPolarHBondContact O-CB 3.44Å; Y90-M94 VanDerWaalsContact O-CG 3.23Å; Y90-M94 WeakPolarHBondContact O-CG 3.23Å; Y90-M94 PolarHBondContact O-N 3.08Å; Y90-I104 HydrophobicContact CD2-CD1 4.1Å; Y90-I104 HydrophobicContact CE2-CG2 4.34Å
91C89.1Confident91Very high52 Ų5280.9 Ų80.935%0.35139%0.392SS..Hα-helixtrans-59.5-41.2174.3-680000111.9I87 K88 M94 Q95I87-C91 PolarHBondContact O-N 3.1Å; I87-C91 PolarHBondContact O-SG 3.39Å; K88-C91 PolarHBondContact O-N 3.34Å; C91-M94 WeakPolarHBondContact O-CB 3.39Å; C91-M94 PolarHBondContact O-N 3.44Å; C91-Q95 VanDerWaalsContact O-CG 3.27Å; C91-Q95 WeakPolarHBondContact O-CG 3.43Å; C91-Q95 PolarHBondContact O-N 3.07Å
92Q91.3Very high90.9Very high107 Ų10777.4 Ų77.450%0.539%0.385SS..Hα-helixtrans-64.1-48.3177-178179.9-11.600111.4K88 V89 Y90 M94 Q95 E96K88-Q92 WeakPolarHBondContact O-CB 3.5Å; K88-Q92 PolarHBondContact O-N 3.5Å; V89-Q92 PolarHBondContact O-N 3.25Å; Y90-Q92 VanDerWaalsContact C-N 3.3Å; Y90-Q92 PolarHBondContact O-N 2.88Å; Q92-M94 VanDerWaalsContact C-N 3.28Å; Q92-M94 PolarHBondContact O-N 2.82Å; Q92-Q95 WeakPolarHBondContact O-CB 3.47Å; Q92-Q95 PolarHBondContact O-N 3.42Å; Q92-E96 HydrophobicContact CG-CG 4.47Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.29Å; Q92-E96 PolarHBondContact NE2-OE1 2.77Å; Q92-E96 WeakPolarHBondContact O-CG 3.37Å; Q92-E96 PolarHBondContact O-N 3.13Å
93R92.7Very high90.6Very high130 Ų13079 Ų7949%0.49139%0.393SS..Hα-helixtrans-58.7-41.1175.6-72.9-178.1179.3-168.4-1.2112.3V89 Y90 Q95 E96 E97V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.96Å; Y90-R93 PolarHBondContact O-N 3.05Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.25Å; R93-E96 PolarHBondContact O-N 2.84Å; R93-E97 WeakPolarHBondContact O-CG 3.49Å; R93-E97 PolarHBondContact O-N 3.33Å; R93-E97 VanDerWaalsContact O-N 3.14Å
94M91.5Very high90.5Very high29 Ų2980.8 Ų80.814%0.14340%0.399CS..Hα-helixtrans-61.6-40.6174.6-76.1177.473.800112F73 F75 Y90 C91 Q92 N98 I99 A102F73-M94 HydrophobicContact CD2-CG 3.95Å; F75-M94 HydrophobicContact CE2-CG 4.24Å; F75-M94 HydrophobicContact CE2-SD 4.29Å; F75-M94 HydrophobicContact CZ-CG 4.4Å; Y90-M94 WeakPolarHBondContact O-CB 3.44Å; Y90-M94 VanDerWaalsContact O-CG 3.23Å; Y90-M94 WeakPolarHBondContact O-CG 3.23Å; Y90-M94 PolarHBondContact O-N 3.08Å; C91-M94 WeakPolarHBondContact O-CB 3.39Å; C91-M94 PolarHBondContact O-N 3.44Å; Q92-M94 VanDerWaalsContact C-N 3.28Å; Q92-M94 PolarHBondContact O-N 2.82Å; M94-N98 CarbonylContact O-C 3.59Å; M94-N98 PolarHBondContact O-N 2.98Å; M94-I99 WeakPolarHBondContact CB-O 3.45Å; M94-I99 WeakPolarHBondContact CE-O 3.46Å; M94-I99 PolarHBondContact O-N 3.2Å; M94-A102 HydrophobicContact CE-CB 3.72Å; M94-A102 HydrophobicContact SD-CB 3.52Å; M94-A102 VanDerWaalsContact SD-CB 3.52Å
95Q89.6Confident90.5Very high154 Ų15479 Ų7972%0.7239%0.39SS*.Hα-helixtrans-67.7-42.8176.7-74169.6-3.200112.3C91 Q92 R93 E97 N98C91-Q95 VanDerWaalsContact O-CG 3.27Å; C91-Q95 WeakPolarHBondContact O-CG 3.43Å; C91-Q95 PolarHBondContact O-N 3.07Å; Q92-Q95 WeakPolarHBondContact O-CB 3.47Å; Q92-Q95 PolarHBondContact O-N 3.42Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.25Å; Q95-E97 VanDerWaalsContact C-N 3.28Å; Q95-E97 PolarHBondContact O-N 3.2Å; Q95-N98 PolarHBondContact O-N 3.17Å; Q95-N98 VanDerWaalsContact O-N 3.14Å
96E92.2Very high90.4Very high129 Ų12973.2 Ų73.260%0.60337%0.369SS*.Hα-helixtrans-59.4-39.3178.3-73.8168.1-177.900111.7Q92 R93Q92-E96 HydrophobicContact CG-CG 4.47Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.29Å; Q92-E96 PolarHBondContact NE2-OE1 2.77Å; Q92-E96 WeakPolarHBondContact O-CG 3.37Å; Q92-E96 PolarHBondContact O-N 3.13Å; R93-E96 PolarHBondContact O-N 2.84Å
97E88.6Confident90.2Very high117 Ų11774.6 Ų74.655%0.54737%0.374SS..THydrogen-bonded Turntrans-91.31.8178.8-61.1-70.3170.700113.4F73 R93 Q95 I99F73-E97 HydrophobicContact CE2-CB 4.26Å; F73-E97 HydrophobicContact CE2-CG 4.29Å; F73-E97 HydrophobicContact CZ-CG 4.14Å; R93-E97 WeakPolarHBondContact O-CG 3.49Å; R93-E97 PolarHBondContact O-N 3.33Å; R93-E97 VanDerWaalsContact O-N 3.14Å; Q95-E97 VanDerWaalsContact C-N 3.28Å; Q95-E97 PolarHBondContact O-N 3.2Å; E97-I99 HydrophobicContact CB-CD1 3.66Å; E97-I99 HydrophobicContact CB-CG1 3.97Å; E97-I99 PolarHBondContact O-N 3.41Å
98N88.9Confident90Very high142 Ų14282.1 Ų82.176%0.75941%0.409SS*.THydrogen-bonded Turntrans5436.9-174.6-167.940.6000114.2M94 Q95M94-N98 CarbonylContact O-C 3.59Å; M94-N98 PolarHBondContact O-N 2.98Å; Q95-N98 PolarHBondContact O-N 3.17Å; Q95-N98 VanDerWaalsContact O-N 3.14Å
99I89.2Confident89.9Confident10 Ų1076.8 Ų76.85%0.05139%0.39CS..  trans-100.3131.1-178.9-68.6169.7000110.1L61 Q71 F73 M94 E97 R101L61-I99 HydrophobicContact CD1-CD1 3.41Å; L61-I99 VanDerWaalsContact CD1-CD1 3.41Å; L61-I99 HydrophobicContact CD2-CD1 4.12Å; L61-I99 HydrophobicContact CG-CD1 4.42Å; Q71-I99 HydrophobicContact CB-CD1 4.1Å; Q71-I99 HydrophobicContact CB-CG1 4.01Å; F73-I99 HydrophobicContact CD2-CB 4.1Å; F73-I99 HydrophobicContact CD2-CD1 3.76Å; F73-I99 HydrophobicContact CD2-CG2 3.79Å; F73-I99 HydrophobicContact CE2-CB 4.14Å; F73-I99 HydrophobicContact CE2-CD1 3.28Å; F73-I99 HydrophobicContact CE2-CG1 4.25Å; F73-I99 HydrophobicContact CE2-CG2 4.33Å; F73-I99 HydrophobicContact CZ-CD1 3.81Å; M94-I99 WeakPolarHBondContact CB-O 3.45Å; M94-I99 WeakPolarHBondContact CE-O 3.46Å; M94-I99 PolarHBondContact O-N 3.2Å; E97-I99 HydrophobicContact CB-CD1 3.66Å; E97-I99 HydrophobicContact CB-CG1 3.97Å; E97-I99 PolarHBondContact O-N 3.41Å; I99-R101 WeakPolarHBondContact CG2-O 3.5Å
100T81.2Confident89.7Confident121 Ų12175.8 Ų75.874%0.74238%0.382SS*.  trans-105-10.6-175.1610000113.9
101R86Confident89.6Confident94 Ų9476.6 Ų76.636%0.35539%0.389SS..EExtended strand (participates in β ladder)trans-116.9132.7-174.7-56.9176.781.5163.6-4.7110.4Y26 D70 M72 F73 I99Y26-R101 PolarHBondContact OH-NE 2.89Å; Y26-R101 PolarHBondContact OH-NH1 3.42Å; Y26-R101 PolarHBondContact OH-NH2 3.14Å; D70-R101 WeakPolarHBondContact OD1-CD 3.27Å; D70-R101 IonicContact OD1-CZ 2.87Å; D70-R101 IonicContact OD1-NE 3.4Å; D70-R101 IonicContact OD1-NH1 3.43Å; D70-R101 PolarHBondContact OD1-NH1 2.75Å; D70-R101 VanDerWaalsContact OD1-NH1 3.16Å; D70-R101 IonicContact OD2-CZ 3.68Å; D70-R101 IonicContact OD2-NH1 3.07Å; D70-R101 PolarHBondContact OD2-NH1 2.79Å; M72-R101 WeakPolarHBondContact CA-O 3.27Å; M72-R101 HydrophobicContact CB-CB 3.87Å; M72-R101 HydrophobicContact CG-CB 3.79Å; M72-R101 HydrophobicContact SD-CB 4.44Å; F73-R101 PolarHBondContact N-O 3.07Å; I99-R101 WeakPolarHBondContact CG2-O 3.5Å
102A89.8Confident89.6Confident43 Ų4378.5 Ų78.536%0.35540%0.401SS..EExtended strand (participates in β ladder)trans-145.3148.5172.500000112F73 F75 M94F73-A102 HydrophobicContact CB-CB 4.18Å; F73-A102 CarbonylContact O-C 3.56Å; F73-A102 WeakPolarHBondContact O-CA 3.37Å; F75-A102 HydrophobicContact CD2-CB 4.09Å; F75-A102 HydrophobicContact CE2-CB 3.9Å; M94-A102 HydrophobicContact CE-CB 3.72Å; M94-A102 HydrophobicContact SD-CB 3.52Å; M94-A102 VanDerWaalsContact SD-CB 3.52Å
103L90.1Very high89.5Confident34 Ų3476.1 Ų76.118%0.17840%0.396CS..EExtended strand (participates in β ladder)trans-115132167.5-169.8148.5000108I17 L20 F73 V74 F75 V105 P151I17-L103 HydrophobicContact CD1-CD2 4.41Å; L20-L103 HydrophobicContact CD2-CD1 4.45Å; F73-L103 PolarHBondContact O-N 3.42Å; V74-L103 CarbonylContact C-O 3.58Å; V74-L103 WeakPolarHBondContact CA-O 3.42Å; V74-L103 HydrophobicContact CG1-CB 4.18Å; V74-L103 HydrophobicContact CG1-CD2 3.73Å; V74-L103 HydrophobicContact CG2-CB 4.27Å; F75-L103 PolarHBondContact N-O 3.26Å; L103-V105 HydrophobicContact CD2-CG2 3.48Å; L103-V105 VanDerWaalsContact CD2-CG2 3.48Å; L103-P151 HydrophobicContact CD1-CG 4.22Å
104I91.1Very high89.3Confident52 Ų5270 Ų7027%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-118.5117-179.3-53.9175.2000109F75 P77 I87 Y90 V106F75-I104 HydrophobicContact CB-CG1 4.39Å; F75-I104 HydrophobicContact CD2-CG1 4.27Å; P77-I104 HydrophobicContact CG-CG2 4.04Å; I87-I104 HydrophobicContact CD1-CD1 3.65Å; Y90-I104 HydrophobicContact CD2-CD1 4.1Å; Y90-I104 HydrophobicContact CE2-CG2 4.34Å; I104-V106 HydrophobicContact CG2-CG1 4.03Å; I104-V106 PolarHBondContact O-N 3.42Å
105V91.7Very high89Confident20 Ų2074.5 Ų74.512%0.12139%0.392CS..  trans-93.385.3-176.1-171.10000110.6I13 I17 R55 V74 F75 F76 P77 L103I13-V105 HydrophobicContact CG2-CG1 3.85Å; I17-V105 HydrophobicContact CD1-CG2 3.43Å; I17-V105 VanDerWaalsContact CD1-CG2 3.43Å; R55-V105 PolarHBondContact NH2-O 3.05Å; V74-V105 HydrophobicContact CG1-CG2 4.05Å; F75-V105 PolarHBondContact O-N 3.12Å; F76-V105 HydrophobicContact CD1-CB 3.84Å; F76-V105 HydrophobicContact CD1-CG1 4.05Å; F76-V105 HydrophobicContact CD1-CG2 4.07Å; F76-V105 HydrophobicContact CD2-CG2 4.4Å; F76-V105 HydrophobicContact CE1-CB 4.02Å; F76-V105 HydrophobicContact CE1-CG1 4.01Å; F76-V105 HydrophobicContact CE1-CG2 3.86Å; F76-V105 HydrophobicContact CE2-CG2 4.21Å; F76-V105 HydrophobicContact CG-CB 4.25Å; F76-V105 HydrophobicContact CG-CG2 4.35Å; F76-V105 HydrophobicContact CZ-CG2 3.94Å; P77-V105 WeakPolarHBondContact CD-O 3.38Å; L103-V105 HydrophobicContact CD2-CG2 3.48Å; L103-V105 VanDerWaalsContact CD2-CG2 3.48Å
106V91.4Very high88.6Confident52 Ų5274.1 Ų74.132%0.31539%0.39SS..  trans-76.3149.4-179.8-55.10000112.4V82 I104 M110V82-V106 HydrophobicContact CG2-CB 4.33Å; V82-V106 HydrophobicContact CG2-CG1 3.66Å; I104-V106 HydrophobicContact CG2-CG1 4.03Å; I104-V106 PolarHBondContact O-N 3.42Å; V106-M110 HydrophobicContact CG1-CG 3.97Å
107Q88.6Confident88.1Confident60 Ų6071.1 Ų71.128%0.2838%0.378SS..SBendtrans-85.2-54.3178.7-62175.138.300112.3R55 P77 E78R55-Q107 VanDerWaalsContact CZ-CG 3.47Å; P77-Q107 PolarHBondContact O-NE2 3.29Å; E78-Q107 PolarHBondContact O-NE2 3.22Å
108Q88.6Confident87.7Confident162 Ų16267.8 Ų67.876%0.75737%0.365SS*.SBendtrans-110.9-40.7177.5-62.1-179.13.400111.5P80P80-Q108 HydrophobicContact CB-CG 4.18Å; P80-Q108 WeakPolarHBondContact O-CB 3.36Å; P80-Q108 PolarHBondContact O-N 3.26Å
109G88.1Confident87.4Confident18 Ų1863.3 Ų63.319%0.18634%0.344CS..EExtended strand (participates in β ladder)trans163.2-158.7178.400000113.9P80 K81 V82P80-G109 PolarHBondContact O-N 3Å; K81-G109 CarbonylContact C-O 3.35Å; K81-G109 VanDerWaalsContact CA-O 3.31Å; K81-G109 WeakPolarHBondContact CA-O 3.47Å; V82-G109 PolarHBondContact N-O 3.2Å
110M90.8Very high87.1Confident45 Ų4568.5 Ų68.522%0.22237%0.368CS..EExtended strand (participates in β ladder)trans-122.4149.8-179.7-61.7-171.9-89.800110.8V82 V106 A114 K115 V118V82-M110 HydrophobicContact CB-CG 4.13Å; V106-M110 HydrophobicContact CG1-CG 3.97Å; M110-A114 HydrophobicContact CB-CB 4.23Å; M110-K115 HydrophobicContact CB-CG 3.75Å; M110-K115 HydrophobicContact CE-CG 4.35Å; M110-V118 HydrophobicContact CE-CG1 4.5Å; M110-V118 HydrophobicContact CE-CG2 4.28Å; M110-V118 HydrophobicContact SD-CG2 3.94Å
111T92.1Very high87.4Confident38 Ų3864.9 Ų64.923%0.23334%0.343CS..  trans-64.6151.1168.658.10000111.1K81 V82 S113 A114 K115K81-T111 HydrophobicContact CD-CG2 4.34Å; K81-T111 HydrophobicContact CG-CG2 4.16Å; V82-T111 WeakPolarHBondContact O-CG2 3.37Å; V82-T111 PolarHBondContact O-N 3.4Å; V82-T111 PolarHBondContact O-OG1 2.89Å; V82-T111 VanDerWaalsContact O-OG1 3.08Å; T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.03Å; T111-A114 WeakPolarHBondContact O-CB 3.21Å; T111-A114 PolarHBondContact O-N 3.24Å; T111-A114 VanDerWaalsContact OG1-CB 3.24Å; T111-A114 WeakPolarHBondContact OG1-CB 3.48Å; T111-A114 PolarHBondContact OG1-N 2.97Å; T111-K115 PolarHBondContact O-N 3.25Å
112P88.2Confident87.5Confident92 Ų9262.8 Ų62.860%0.59734%0.34SS*.Hα-helixtrans-53.8-41.5177.6-27.735.7000113.2A114 K115 Q116P112-A114 VanDerWaalsContact C-N 3.35Å; P112-A114 PolarHBondContact O-N 2.74Å; P112-K115 PolarHBondContact O-N 3Å; P112-Q116 WeakPolarHBondContact O-CG 3.49Å; P112-Q116 PolarHBondContact O-N 3.35Å
113S88.4Confident87.5Confident57 Ų5763.1 Ų63.140%0.39934%0.338SS..Hα-helixtrans-65.2-34.8176.7-48.90000113.1T111T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.03Å
114A88.4Confident87.6Confident0 Ų062.4 Ų62.40%033%0.334CS..Hα-helixtrans-68.8-41.4173.100000111.6V82 I87 M110 T111 P112 Q116 L117V82-A114 WeakPolarHBondContact O-CB 3.1Å; I87-A114 HydrophobicContact CG1-CB 3.86Å; M110-A114 HydrophobicContact CB-CB 4.23Å; T111-A114 WeakPolarHBondContact O-CB 3.21Å; T111-A114 PolarHBondContact O-N 3.24Å; T111-A114 VanDerWaalsContact OG1-CB 3.24Å; T111-A114 WeakPolarHBondContact OG1-CB 3.48Å; T111-A114 PolarHBondContact OG1-N 2.97Å; P112-A114 VanDerWaalsContact C-N 3.35Å; P112-A114 PolarHBondContact O-N 2.74Å; A114-Q116 PolarHBondContact O-N 2.8Å; A114-L117 PolarHBondContact O-N 3.01Å
115K85.1Confident87.7Confident125 Ų12563 Ų6354%0.54334%0.34SS..Hα-helixtrans-60-31.8178.1-69.8-175.2179.3-173.50112.8M110 T111 P112 L117 V118M110-K115 HydrophobicContact CB-CG 3.75Å; M110-K115 HydrophobicContact CE-CG 4.35Å; T111-K115 PolarHBondContact O-N 3.25Å; P112-K115 PolarHBondContact O-N 3Å; K115-L117 PolarHBondContact O-N 3.49Å; K115-V118 PolarHBondContact O-N 3.05Å; K115-V118 VanDerWaalsContact O-N 3.12Å; K115-V118 VanDerWaalsContact O-O 3.07Å
116Q82.4Confident87.8Confident145 Ų14570.3 Ų70.368%0.67837%0.37SS*.THydrogen-bonded Turntrans-61.4-24.3176.3-71.3174.3-2.500113.5P112 A114P112-Q116 WeakPolarHBondContact O-CG 3.49Å; P112-Q116 PolarHBondContact O-N 3.35Å; A114-Q116 PolarHBondContact O-N 2.8Å
117L81Confident88Confident67 Ų6774.3 Ų74.335%0.35139%0.385SS..THydrogen-bonded Turntrans-90.4-13.6178.2-61.4-176.6000113.2I84 I87 K88 A114 K115I84-L117 HydrophobicContact CD1-CD1 4.01Å; I84-L117 HydrophobicContact CD1-CG 4.49Å; I84-L117 HydrophobicContact CG1-CD1 3.6Å; I84-L117 HydrophobicContact CG1-CG 4.43Å; I87-L117 HydrophobicContact CB-CD1 4.42Å; I87-L117 HydrophobicContact CG2-CB 3.94Å; I87-L117 HydrophobicContact CG2-CD1 3.9Å; K88-L117 HydrophobicContact CG-CD1 4.28Å; A114-L117 PolarHBondContact O-N 3.01Å; K115-L117 PolarHBondContact O-N 3.49Å
118V80.9Confident88.3Confident47 Ų4775.6 Ų75.629%0.28539%0.391SS..SBendtrans-97133.3-179.8-178.90000109M110 K115 E120M110-V118 HydrophobicContact CE-CG1 4.5Å; M110-V118 HydrophobicContact CE-CG2 4.28Å; M110-V118 HydrophobicContact SD-CG2 3.94Å; K115-V118 PolarHBondContact O-N 3.05Å; K115-V118 VanDerWaalsContact O-N 3.12Å; K115-V118 VanDerWaalsContact O-O 3.07Å; V118-E120 PolarHBondContact O-N 3.31Å
119P81.9Confident88.5Confident47 Ų4768.5 Ų68.531%0.30536%0.359SS..PPolyproline II helixtrans-55.1128.6177.1-29.437.1000113.1H121 I166 I167 R168P119-H121 PolarHBondContact O-ND1 3.49Å; P119-H121 VanDerWaalsContact O-ND1 3.07Å; P119-I166 HydrophobicContact CB-CG2 4.05Å; P119-I167 CarbonylContact C-O 3.56Å; P119-I167 VanDerWaalsContact CA-O 3.27Å; P119-I167 WeakPolarHBondContact CA-O 3.39Å; P119-R168 HydrophobicContact CB-CG 3.93Å; P119-R168 HydrophobicContact CG-CG 3.99Å
120E82.9Confident88.8Confident119 Ų11972.1 Ų72.156%0.55638%0.377SS*.EExtended strand (participates in β ladder)trans-80.3133.4175.9-169.2179.1177.600109.7V118 V122 I166 I167V118-E120 PolarHBondContact O-N 3.31Å; E120-V122 HydrophobicContact CG-CG2 4.03Å; E120-I166 CarbonylContact O-C 3.25Å; E120-I166 WeakPolarHBondContact O-CA 3.41Å; E120-I167 HydrophobicContact CB-CB 4.35Å; E120-I167 PolarHBondContact N-O 2.8Å; E120-I167 PolarHBondContact O-N 3.49Å
121H87.4Confident89Confident46 Ų4675.6 Ų75.621%0.21339%0.393CS..EExtended strand (participates in β ladder)trans-113.2121.6176.3-64.876.3000108.5P119 V152 F156 V164 K165P119-H121 PolarHBondContact O-ND1 3.49Å; P119-H121 VanDerWaalsContact O-ND1 3.07Å; H121-V152 HydrophobicContact CB-CG1 4.14Å; H121-F156 HydrophobicContact CB-CD2 4.49Å; H121-F156 HydrophobicContact CB-CE2 3.75Å; H121-F156 HydrophobicContact CB-CZ 4.18Å; H121-F156 WeakPolarHBondContact O-CZ 3.37Å; H121-V164 HydrophobicContact CB-CG2 4Å; H121-K165 WeakPolarHBondContact CA-O 3.12Å
122V88.2Confident89.1Confident50 Ų5074.3 Ų74.330%0.30339%0.385SS..EExtended strand (participates in β ladder)trans-122.6124.7-178-176.50000108.7E120 M124 K165E120-V122 HydrophobicContact CG-CG2 4.03Å; V122-M124 PolarHBondContact O-N 3.42Å; V122-K165 HydrophobicContact CB-CB 4.41Å; V122-K165 PolarHBondContact N-O 3.44Å; V122-K165 PolarHBondContact O-N 3.15Å
123V90.3Very high89.4Confident50 Ų5071.1 Ų71.130%0.30336%0.363SS..EExtended strand (participates in β ladder)trans-73.4123.6174-173.20000108.3F156 I158V123-F156 HydrophobicContact CG2-CB 4.03Å; V123-F156 HydrophobicContact CG2-CD1 4.31Å; V123-F156 HydrophobicContact CG2-CG 4.33Å; V123-I158 HydrophobicContact CG1-CG2 4.47Å; V123-I158 HydrophobicContact CG2-CD1 3.72Å; V123-I158 HydrophobicContact CG2-CG1 3.81Å
124M92.5Very high89.8Confident19 Ų1971.8 Ų71.89%0.09437%0.371CS..PPolyproline II helixtrans-83.2146.1179.9-63.7-173.368.700111.5V122 E128 V129 L132 V163 K165 Y179V122-M124 PolarHBondContact O-N 3.42Å; M124-E128 VanDerWaalsContact CA-OE2 3.27Å; M124-E128 WeakPolarHBondContact CA-OE2 3.23Å; M124-E128 HydrophobicContact CB-CB 4.38Å; M124-E128 HydrophobicContact CE-CB 3.58Å; M124-V129 HydrophobicContact CB-CG2 3.73Å; M124-L132 HydrophobicContact CE-CB 4.36Å; M124-L132 HydrophobicContact CE-CD2 4.34Å; M124-L132 HydrophobicContact SD-CD2 4.25Å; M124-V163 PolarHBondContact N-O 3.46Å; M124-V163 HydrophobicContact SD-CG1 4.03Å; M124-K165 HydrophobicContact CG-CB 3.87Å; M124-K165 HydrophobicContact SD-CB 3.96Å; M124-Y179 HydrophobicContact CE-CD1 4.42Å; M124-Y179 HydrophobicContact CE-CE1 4.09Å; M124-Y179 HydrophobicContact SD-CD1 3.43Å; M124-Y179 WeakPolarHBondContact SD-CD1 3.24Å; M124-Y179 HydrophobicContact SD-CE1 3.59Å; M124-Y179 VanDerWaalsContact SD-CE1 3.59Å
125T93.6Very high90.1Very high65 Ų6580.2 Ų80.240%0.39940%0.403SS..PPolyproline II helixtrans-76.6164.1170.684.30000111.1E127 E128 V129T125-E127 WeakPolarHBondContact CB-OE2 3.42Å; T125-E127 PolarHBondContact O-N 2.9Å; T125-E127 PolarHBondContact OG1-N 3.35Å; T125-E127 PolarHBondContact OG1-OE2 3.4Å; T125-E128 PolarHBondContact N-OE2 3.44Å; T125-E128 PolarHBondContact O-N 3.46Å; T125-E128 PolarHBondContact OG1-N 2.76Å; T125-V129 WeakPolarHBondContact O-CG2 3.38Å; T125-V129 PolarHBondContact O-N 2.96Å
126K92.9Very high90.5Very high173 Ų17380.6 Ų80.675%0.75240%0.402SS*.Hα-helixtrans-62.6-34.9179.7-70.1-175.4177.7-178.70111.8V129 T130K126-V129 PolarHBondContact O-N 3.35Å; K126-T130 WeakPolarHBondContact O-CB 3.49Å; K126-T130 PolarHBondContact O-N 2.92Å; K126-T130 PolarHBondContact O-OG1 3.07Å
127E95Very high91.1Very high135 Ų13582.7 Ų82.763%0.63141%0.409SS*.Hα-helixtrans-65.7-47.7178.3-57.969.7-146.300110T125 V129 T130 E131T125-E127 WeakPolarHBondContact CB-OE2 3.42Å; T125-E127 PolarHBondContact O-N 2.9Å; T125-E127 PolarHBondContact OG1-N 3.35Å; T125-E127 PolarHBondContact OG1-OE2 3.4Å; E127-V129 VanDerWaalsContact C-N 3.34Å; E127-V129 PolarHBondContact O-N 2.85Å; E127-T130 WeakPolarHBondContact O-CB 3.41Å; E127-T130 PolarHBondContact O-N 2.96Å; E127-E131 PolarHBondContact O-N 3.24Å
128E94.7Very high91.7Very high88 Ų8882.5 Ų82.541%0.41141%0.408SS..Hα-helixtrans-63.4-38176.8-64.2177.3138.500112.3M124 T125 E131 L132M124-E128 VanDerWaalsContact CA-OE2 3.27Å; M124-E128 WeakPolarHBondContact CA-OE2 3.23Å; M124-E128 HydrophobicContact CB-CB 4.38Å; M124-E128 HydrophobicContact CE-CB 3.58Å; T125-E128 PolarHBondContact N-OE2 3.44Å; T125-E128 PolarHBondContact O-N 3.46Å; T125-E128 PolarHBondContact OG1-N 2.76Å; E128-E131 PolarHBondContact O-N 3.27Å; E128-L132 WeakPolarHBondContact O-CB 3.5Å; E128-L132 PolarHBondContact O-N 3.3Å
129V93.9Very high92.2Very high13 Ų1388.2 Ų88.28%0.07942%0.424CS..Hα-helixtrans-66.2-41.5175.5173.50000110.9M124 T125 K126 E127 E131 L132 L133 V163M124-V129 HydrophobicContact CB-CG2 3.73Å; T125-V129 WeakPolarHBondContact O-CG2 3.38Å; T125-V129 PolarHBondContact O-N 2.96Å; K126-V129 PolarHBondContact O-N 3.35Å; E127-V129 VanDerWaalsContact C-N 3.34Å; E127-V129 PolarHBondContact O-N 2.85Å; V129-E131 VanDerWaalsContact C-N 3.33Å; V129-E131 PolarHBondContact O-N 3.41Å; V129-L132 WeakPolarHBondContact O-CB 3.41Å; V129-L132 PolarHBondContact O-N 3.33Å; V129-L133 HydrophobicContact CG1-CD1 3.97Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.26Å; V129-V163 HydrophobicContact CG1-CG2 3.95Å; V129-V163 HydrophobicContact CG2-CB 3.69Å; V129-V163 HydrophobicContact CG2-CG2 3.81Å
130T94.3Very high92.6Very high93 Ų9390.9 Ų90.957%0.57143%0.433SS*.Hα-helixtrans-62.1-43.6177-55.90000110.7K126 E127 L133 A134K126-T130 WeakPolarHBondContact O-CB 3.49Å; K126-T130 PolarHBondContact O-N 2.92Å; K126-T130 PolarHBondContact O-OG1 3.07Å; E127-T130 WeakPolarHBondContact O-CB 3.41Å; E127-T130 PolarHBondContact O-N 2.96Å; T130-L133 PolarHBondContact O-N 3.29Å; T130-A134 WeakPolarHBondContact O-CB 3.09Å; T130-A134 PolarHBondContact O-N 3Å
131E95.6Very high92.9Very high119 Ų11989.5 Ų89.556%0.55643%0.429SS*.Hα-helixtrans-62.8-43.2175.1-167.6-168149.900111.9E127 E128 V129 A134 R135E127-E131 PolarHBondContact O-N 3.24Å; E128-E131 PolarHBondContact O-N 3.27Å; V129-E131 VanDerWaalsContact C-N 3.33Å; V129-E131 PolarHBondContact O-N 3.41Å; E131-A134 PolarHBondContact O-N 3.18Å; E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.28Å; E131-R135 PolarHBondContact O-N 3.4Å
132L94.2Very high93.1Very high11 Ų1192.1 Ų92.16%0.05844%0.442CS..Hα-helixtrans-57.6-51.7177.3175.971.5000111.6M124 E128 V129 A134 R135 Y136 Y179M124-L132 HydrophobicContact CE-CB 4.36Å; M124-L132 HydrophobicContact CE-CD2 4.34Å; M124-L132 HydrophobicContact SD-CD2 4.25Å; E128-L132 WeakPolarHBondContact O-CB 3.5Å; E128-L132 PolarHBondContact O-N 3.3Å; V129-L132 WeakPolarHBondContact O-CB 3.41Å; V129-L132 PolarHBondContact O-N 3.33Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.07Å; L132-R135 PolarHBondContact O-N 2.87Å; L132-Y136 HydrophobicContact CD1-CD2 3.56Å; L132-Y136 HydrophobicContact CD1-CE2 3.52Å; L132-Y136 HydrophobicContact CG-CD2 4.35Å; L132-Y136 WeakPolarHBondContact O-CD2 3.48Å; L132-Y136 PolarHBondContact O-N 2.82Å; L132-Y136 VanDerWaalsContact O-N 3.1Å; L132-Y179 HydrophobicContact CD1-CD1 4.26Å; L132-Y179 HydrophobicContact CD1-CD2 3.84Å; L132-Y179 HydrophobicContact CD1-CE1 3.92Å; L132-Y179 HydrophobicContact CD1-CE2 3.51Å; L132-Y179 HydrophobicContact CD1-CG 4.2Å; L132-Y179 HydrophobicContact CD2-CD1 3.65Å; L132-Y179 HydrophobicContact CD2-CD2 4.07Å; L132-Y179 HydrophobicContact CD2-CE1 4.04Å; L132-Y179 HydrophobicContact CD2-CE2 4.47Å; L132-Y179 HydrophobicContact CD2-CG 3.63Å
133L94.5Very high93.3Very high25 Ų2590.2 Ų90.213%0.13143%0.43CS..Hα-helixtrans-63.9-39.9-178.8-66.3174000111.3V129 T130 K137 L138 E140 L143V129-L133 HydrophobicContact CG1-CD1 3.97Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.26Å; T130-L133 PolarHBondContact O-N 3.29Å; L133-K137 CarbonylContact O-C 3.57Å; L133-K137 VanDerWaalsContact O-CA 3.22Å; L133-K137 WeakPolarHBondContact O-CA 3.44Å; L133-K137 PolarHBondContact O-N 2.94Å; L133-L138 HydrophobicContact CD2-CB 4.06Å; L133-L138 PolarHBondContact O-N 3.24Å; L133-E140 HydrophobicContact CD1-CG 3.57Å; L133-L143 HydrophobicContact CD2-CD1 4.19Å; L133-L143 HydrophobicContact CD2-CG 4.45Å
134A95.3Very high93.4Very high70 Ų7091.1 Ų91.158%0.57944%0.436SS*.Hα-helixtrans-65-46.217600000112T130 E131 L132 Y136 K137T130-A134 WeakPolarHBondContact O-CB 3.09Å; T130-A134 PolarHBondContact O-N 3Å; E131-A134 PolarHBondContact O-N 3.18Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.07Å; A134-Y136 PolarHBondContact O-N 3.49Å; A134-K137 PolarHBondContact O-N 3.26Å
135R95.1Very high93.3Very high177 Ų17796.4 Ų96.467%0.66846%0.456SS*.Hα-helixtrans-60.3-45.3-179.2176.3175.8-112.6157.6-1.8112.1E131 L132E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.28Å; E131-R135 PolarHBondContact O-N 3.4Å; L132-R135 PolarHBondContact O-N 2.87Å
136Y93.9Very high93.1Very high134 Ų13494 Ų9453%0.52544%0.44SS..Hα-helixtrans-92.7-0.6-178.8-67.2-75.1000113.6L132 A134 L138L132-Y136 HydrophobicContact CD1-CD2 3.56Å; L132-Y136 HydrophobicContact CD1-CE2 3.52Å; L132-Y136 HydrophobicContact CG-CD2 4.35Å; L132-Y136 WeakPolarHBondContact O-CD2 3.48Å; L132-Y136 PolarHBondContact O-N 2.82Å; L132-Y136 VanDerWaalsContact O-N 3.1Å; A134-Y136 PolarHBondContact O-N 3.49Å; Y136-L138 HydrophobicContact CG-CD1 4.39Å; Y136-L138 PolarHBondContact O-N 2.53Å
137K94.6Very high92.7Very high189 Ų18990.2 Ų90.282%0.82243%0.425SS*.THydrogen-bonded Turntrans51.641.9-175.3-56-179.9-178.6-179.70112.1L133 A134L133-K137 CarbonylContact O-C 3.57Å; L133-K137 VanDerWaalsContact O-CA 3.22Å; L133-K137 WeakPolarHBondContact O-CA 3.44Å; L133-K137 PolarHBondContact O-N 2.94Å; A134-K137 PolarHBondContact O-N 3.26Å
138L93.4Very high92.1Very high63 Ų6385.5 Ų85.533%0.3341%0.409SS..  trans-100.9154.3-178.2-65.9173.6000110.8L133 Y136 Q142 L143L133-L138 HydrophobicContact CD2-CB 4.06Å; L133-L138 PolarHBondContact O-N 3.24Å; Y136-L138 HydrophobicContact CG-CD1 4.39Å; Y136-L138 PolarHBondContact O-N 2.53Å; L138-Q142 HydrophobicContact CD2-CB 4.45Å; L138-L143 HydrophobicContact CD1-CD2 4.28Å
139R92.6Very high91.3Very high166 Ų16683.1 Ų83.163%0.62641%0.408SS*.  trans-95.5150.9164.1-64.1-178.9-69.9-178.4-2.1109.5N141 Q142R139-N141 WeakPolarHBondContact CB-OD1 3.33Å; R139-N141 PolarHBondContact O-N 3.45Å; R139-N141 VanDerWaalsContact O-N 3.15Å; R139-Q142 HydrophobicContact CB-CG 4.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.37Å; R139-Q142 PolarHBondContact O-N 3.08Å
140E89.1Confident90.7Very high103 Ų10383.4 Ų83.448%0.48141%0.409SS..G310 helixtrans-52.2-40.4179.8-71.8-178177.900112.8L133 Q142 L143 L181L133-E140 HydrophobicContact CD1-CG 3.57Å; E140-Q142 PolarHBondContact O-N 2.88Å; E140-Q142 VanDerWaalsContact O-N 3.16Å; E140-L143 WeakPolarHBondContact O-CB 3.5Å; E140-L143 PolarHBondContact O-N 2.96Å; E140-L143 VanDerWaalsContact O-N 3.09Å; E140-L181 HydrophobicContact CB-CD2 4.36Å; E140-L181 WeakPolarHBondContact O-CD2 3.17Å
141N89.4Confident89.6Confident91 Ų9180.4 Ų80.449%0.48739%0.391SS..G310 helixtrans-67.7-12.7-179.168.8-19.9000114.7R139R139-N141 WeakPolarHBondContact CB-OD1 3.33Å; R139-N141 PolarHBondContact O-N 3.45Å; R139-N141 VanDerWaalsContact O-N 3.15Å
142Q91.5Very high88.7Confident100 Ų10076.5 Ų76.547%0.46738%0.375SS..G310 helixtrans-88.2-11.2176-61.8177.3-69.300112.2L138 R139 E140L138-Q142 HydrophobicContact CD2-CB 4.45Å; R139-Q142 HydrophobicContact CB-CG 4.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.37Å; R139-Q142 PolarHBondContact O-N 3.08Å; E140-Q142 PolarHBondContact O-N 2.88Å; E140-Q142 VanDerWaalsContact O-N 3.16Å
143L92.6Very high88Confident10 Ų1076 Ų765%0.05237%0.372CS..SBendtrans-70.9138.9173.9-65.2176.2000110.1L133 L138 E140 V163 L181L133-L143 HydrophobicContact CD2-CD1 4.19Å; L133-L143 HydrophobicContact CD2-CG 4.45Å; L138-L143 HydrophobicContact CD1-CD2 4.28Å; E140-L143 WeakPolarHBondContact O-CB 3.5Å; E140-L143 PolarHBondContact O-N 2.96Å; E140-L143 VanDerWaalsContact O-N 3.09Å; L143-V163 HydrophobicContact CD1-CG1 4.3Å; L143-V163 HydrophobicContact CD1-CG2 3.88Å; L143-L181 HydrophobicContact CB-CB 4.06Å; L143-L181 HydrophobicContact CD1-CB 4.49Å
144P92.4Very high87.2Confident69 Ų6980.4 Ų80.445%0.44839%0.387SS..PPolyproline II helixtrans-52.9145.4169.3-24.733000111.3R180 L181P144-R180 HydrophobicContact CB-CG 4.33Å; P144-R180 CarbonylContact O-C 3.59Å; P144-R180 WeakPolarHBondContact O-CA 3.34Å; P144-L181 PolarHBondContact O-N 3.4Å
145R91.6Very high86.3Confident131 Ų13186 Ų8649%0.49440%0.395SS..EExtended strand (participates in β ladder)trans-98.2153.9-173.4-62.1179.5-174.7-1794.7112.5R180 L181 H183R145-R180 PolarHBondContact O-NH1 3.24Å; R145-L181 CarbonylContact C-O 3.56Å; R145-L181 WeakPolarHBondContact CA-O 3.44Å; R145-H183 HydrophobicContact CB-CB 4.24Å; R145-H183 HydrophobicContact CG-CB 4.27Å; R145-H183 PolarHBondContact NH1-CD2 3.33Å; R145-H183 PolarHBondContact NH1-NE2 3.28Å
146I89.5Confident85.4Confident13 Ų1381.9 Ų81.97%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-129.8136.9165.4-172.6171.8000107.8D150 V152 V164 R180 L181 V182 H183I146-D150 HydrophobicContact CD1-CB 4Å; I146-D150 HydrophobicContact CG1-CB 3.69Å; I146-V152 HydrophobicContact CD1-CB 4.49Å; I146-V164 HydrophobicContact CG2-CG1 4.36Å; I146-R180 HydrophobicContact CB-CB 4.14Å; I146-R180 HydrophobicContact CG2-CB 4.03Å; I146-L181 PolarHBondContact N-O 3.21Å; I146-V182 HydrophobicContact CG2-CB 4.31Å; I146-V182 HydrophobicContact CG2-CG2 3.72Å; I146-V182 CarbonylContact O-C 3.5Å; I146-V182 WeakPolarHBondContact O-CA 3.34Å; I146-H183 PolarHBondContact O-N 3.23Å
147Q84.2Confident84.7Confident95 Ų9577.9 Ų77.944%0.44438%0.382SS..EExtended strand (participates in β ladder)trans-68.8144.2179.9-74.5177-29.200110.7G149 D150 H183Q147-G149 PolarHBondContact O-N 3.26Å; Q147-D150 WeakPolarHBondContact O-CB 3.45Å; Q147-D150 PolarHBondContact O-N 3.03Å; Q147-H183 CarbonylContact C-O 3.59Å; Q147-H183 WeakPolarHBondContact CA-O 3.14Å
148A81.9Confident84.3Confident36 Ų3669.4 Ų69.430%0.29835%0.345SS..THydrogen-bonded Turntrans-62.5-29.6172.600000111.7D150 V182 H183A148-D150 PolarHBondContact O-N 2.96Å; A148-V182 HydrophobicContact CB-CG1 3.94Å; A148-H183 PolarHBondContact N-O 3.46Å
149G78.4Confident83.9Confident37 Ų3774 Ų7438%0.38136%0.362SS..THydrogen-bonded Turntrans-73.1-2.7171.400000114.5Q147 R154Q147-G149 PolarHBondContact O-N 3.26Å; G149-R154 PolarHBondContact O-NE 2.81Å; G149-R154 PolarHBondContact O-NH2 3.28Å
150D80.9Confident83.8Confident19 Ų1975 Ų7510%0.10237%0.366CS..SBendtrans-63134.2178.3-167.4-69.7000110.8R24 I146 Q147 A148 V152 A153 R154R24-D150 IonicContact CZ-OD2 3.33Å; R24-D150 IonicContact NE-OD2 3.91Å; R24-D150 IonicContact NH2-OD1 3.97Å; R24-D150 PolarHBondContact NH2-OD1 2.79Å; R24-D150 VanDerWaalsContact NH2-OD1 3.1Å; R24-D150 IonicContact NH2-OD2 2.75Å; R24-D150 PolarHBondContact NH2-OD2 3.49Å; I146-D150 HydrophobicContact CD1-CB 4Å; I146-D150 HydrophobicContact CG1-CB 3.69Å; Q147-D150 WeakPolarHBondContact O-CB 3.45Å; Q147-D150 PolarHBondContact O-N 3.03Å; A148-D150 PolarHBondContact O-N 2.96Å; D150-V152 PolarHBondContact O-N 2.87Å; D150-V152 VanDerWaalsContact OD1-CB 3.29Å; D150-V152 WeakPolarHBondContact OD1-CB 3.15Å; D150-V152 PolarHBondContact OD1-N 2.89Å; D150-A153 HydrophobicContact CB-CB 4.01Å; D150-A153 CarbonylContact O-C 3.59Å; D150-A153 WeakPolarHBondContact O-CA 3.38Å; D150-A153 WeakPolarHBondContact O-CB 3.47Å; D150-A153 PolarHBondContact O-N 3.36Å; D150-R154 PolarHBondContact O-N 3.42Å
151P71.8Confident83.7Confident30 Ų3072 Ų7220%0.19536%0.363CS..Hα-helixtrans-52-35.117511.7-24000113.6L20 R24 L103 Y155L20-P151 HydrophobicContact CD1-CB 3.61Å; L20-P151 HydrophobicContact CD1-CG 3.49Å; L20-P151 VanDerWaalsContact CD1-CG 3.49Å; L20-P151 HydrophobicContact CD2-CG 3.77Å; L20-P151 HydrophobicContact CG-CG 4.11Å; R24-P151 VanDerWaalsContact CZ-CD 3.49Å; L103-P151 HydrophobicContact CD1-CG 4.22Å; P151-Y155 WeakPolarHBondContact O-CB 2.87Å; P151-Y155 PolarHBondContact O-N 2.93Å
152V75.5Confident83.8Confident37 Ų3771.1 Ų71.122%0.22436%0.356CS..Hα-helixtrans-67.1-46174.8179.70000110H121 I146 D150 R154 Y155 F156H121-V152 HydrophobicContact CB-CG1 4.14Å; I146-V152 HydrophobicContact CD1-CB 4.49Å; D150-V152 PolarHBondContact O-N 2.87Å; D150-V152 VanDerWaalsContact OD1-CB 3.29Å; D150-V152 WeakPolarHBondContact OD1-CB 3.15Å; D150-V152 PolarHBondContact OD1-N 2.89Å; V152-R154 PolarHBondContact O-N 3.41Å; V152-Y155 PolarHBondContact O-N 2.9Å; V152-F156 HydrophobicContact CG1-CD2 3.82Å; V152-F156 HydrophobicContact CG1-CE2 4.02Å; V152-F156 VanDerWaalsContact O-CD2 3.32Å; V152-F156 WeakPolarHBondContact O-CD2 3.24Å; V152-F156 PolarHBondContact O-N 3.42Å
153A80.8Confident83.8Confident0 Ų066.4 Ų66.40%033%0.334CS..Hα-helixtrans-62.1-43.4176.800000111.6D150 G157 I158D150-A153 HydrophobicContact CB-CB 4.01Å; D150-A153 CarbonylContact O-C 3.59Å; D150-A153 WeakPolarHBondContact O-CA 3.38Å; D150-A153 WeakPolarHBondContact O-CB 3.47Å; D150-A153 PolarHBondContact O-N 3.36Å; A153-G157 CarbonylContact O-C 3.48Å; A153-G157 PolarHBondContact O-N 3.28Å; A153-I158 PolarHBondContact O-N 2.87Å
154R77.7Confident83.8Confident118 Ų11866 Ų6645%0.44533%0.332SS..Hα-helixtrans-62.6-46.7175-74.2-170.7-100.6173.5-14.9112.3G149 D150 V152 F156 G157G149-R154 PolarHBondContact O-NE 2.81Å; G149-R154 PolarHBondContact O-NH2 3.28Å; D150-R154 PolarHBondContact O-N 3.42Å; V152-R154 PolarHBondContact O-N 3.41Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.92Å; R154-G157 PolarHBondContact O-N 3.39Å; R154-G157 VanDerWaalsContact O-N 3.08Å
155Y75.4Confident83.8Confident189 Ų18965.5 Ų65.574%0.74132%0.323SS*.Hα-helixtrans-60.6-43.5-179179.4-93.5000111.9P151 V152 G157P151-Y155 WeakPolarHBondContact O-CB 2.87Å; P151-Y155 PolarHBondContact O-N 2.93Å; V152-Y155 PolarHBondContact O-N 2.9Å; Y155-G157 VanDerWaalsContact C-N 3.31Å
156F75.4Confident83.8Confident90 Ų9059.5 Ų59.540%0.39530%0.3SS..THydrogen-bonded Turntrans-85.50.4177-74.4-75.6000113.5H121 V123 V152 R154 I158H121-F156 HydrophobicContact CB-CD2 4.49Å; H121-F156 HydrophobicContact CB-CE2 3.75Å; H121-F156 HydrophobicContact CB-CZ 4.18Å; H121-F156 WeakPolarHBondContact O-CZ 3.37Å; V123-F156 HydrophobicContact CG2-CB 4.03Å; V123-F156 HydrophobicContact CG2-CD1 4.31Å; V123-F156 HydrophobicContact CG2-CG 4.33Å; V152-F156 HydrophobicContact CG1-CD2 3.82Å; V152-F156 HydrophobicContact CG1-CE2 4.02Å; V152-F156 VanDerWaalsContact O-CD2 3.32Å; V152-F156 WeakPolarHBondContact O-CD2 3.24Å; V152-F156 PolarHBondContact O-N 3.42Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.92Å; F156-I158 HydrophobicContact CB-CD1 3.69Å; F156-I158 HydrophobicContact CB-CG1 3.41Å; F156-I158 VanDerWaalsContact CB-CG1 3.41Å; F156-I158 HydrophobicContact CG-CD1 4.45Å; F156-I158 PolarHBondContact O-N 2.93Å
157G79.8Confident83.7Confident50 Ų5060.2 Ų60.252%0.51530%0.304SS..THydrogen-bonded Turntrans60.928.7-178.700000113.9A153 R154 Y155A153-G157 CarbonylContact O-C 3.48Å; A153-G157 PolarHBondContact O-N 3.28Å; R154-G157 PolarHBondContact O-N 3.39Å; R154-G157 VanDerWaalsContact O-N 3.08Å; Y155-G157 VanDerWaalsContact C-N 3.31Å
158I85.9Confident83.9Confident11 Ų1160.2 Ų60.26%0.05630%0.3CS..  trans-75.9129.3-172.3-41.8178.2000109.6V123 A153 F156 Q162 V164 V182V123-I158 HydrophobicContact CG1-CG2 4.47Å; V123-I158 HydrophobicContact CG2-CD1 3.72Å; V123-I158 HydrophobicContact CG2-CG1 3.81Å; A153-I158 PolarHBondContact O-N 2.87Å; F156-I158 HydrophobicContact CB-CD1 3.69Å; F156-I158 HydrophobicContact CB-CG1 3.41Å; F156-I158 VanDerWaalsContact CB-CG1 3.41Å; F156-I158 HydrophobicContact CG-CD1 4.45Å; F156-I158 PolarHBondContact O-N 2.93Å; I158-Q162 HydrophobicContact CG2-CB 3.45Å; I158-Q162 VanDerWaalsContact CG2-CB 3.45Å; I158-Q162 HydrophobicContact CG2-CG 4.25Å; I158-V164 HydrophobicContact CD1-CB 4.16Å; I158-V164 HydrophobicContact CD1-CG2 4.2Å; I158-V182 HydrophobicContact CB-CG2 4.08Å; I158-V182 HydrophobicContact CG2-CG2 3.51Å
159K86.4Confident83.8Confident158 Ų15862.3 Ų62.369%0.68731%0.31SS*.  trans-95.2160.9-179.1-61.2-174.9-179.4-179.30111.5G161 Q162K159-G161 PolarHBondContact O-N 3.26Å; K159-Q162 WeakPolarHBondContact O-CB 3.31Å; K159-Q162 PolarHBondContact O-N 2.88Å; K159-Q162 VanDerWaalsContact O-N 3.13Å
160R88.9Confident83.9Confident187 Ų18762 Ų6271%0.70630%0.302SS*.THydrogen-bonded Turntrans-45.5134.3172.5175.2-179-176.4173.6-2.9111.3Q162 P184R160-Q162 VanDerWaalsContact C-N 3.29Å; R160-Q162 PolarHBondContact O-N 2.85Å; R160-P184 HydrophobicContact CG-CG 4.26Å
161G87.4Confident83.6Confident40 Ų4070.9 Ų70.941%0.41234%0.343SS..THydrogen-bonded Turntrans85.7-8176.900000114.6K159 V182K159-G161 PolarHBondContact O-N 3.26Å; G161-V182 PolarHBondContact N-O 2.58Å
162Q90.9Very high84.2Confident74 Ų7476 Ų7635%0.34637%0.374SS..  trans-81.8154.1169.9-62.9-174.4-7300110.7I158 K159 R160 V182I158-Q162 HydrophobicContact CG2-CB 3.45Å; I158-Q162 VanDerWaalsContact CG2-CB 3.45Å; I158-Q162 HydrophobicContact CG2-CG 4.25Å; K159-Q162 WeakPolarHBondContact O-CB 3.31Å; K159-Q162 PolarHBondContact O-N 2.88Å; K159-Q162 VanDerWaalsContact O-N 3.13Å; R160-Q162 VanDerWaalsContact C-N 3.29Å; R160-Q162 PolarHBondContact O-N 2.85Å; Q162-V182 WeakPolarHBondContact O-CG2 3.19Å; Q162-V182 PolarHBondContact O-N 2.83Å
163V92.4Very high84.4Confident1 Ų177.6 Ų77.61%0.00639%0.391CS..EExtended strand (participates in β ladder)trans-112.2135.5-179.7179.70000109.4M124 V129 L143 R180 L181M124-V163 PolarHBondContact N-O 3.46Å; M124-V163 HydrophobicContact SD-CG1 4.03Å; V129-V163 HydrophobicContact CG1-CG2 3.95Å; V129-V163 HydrophobicContact CG2-CB 3.69Å; V129-V163 HydrophobicContact CG2-CG2 3.81Å; L143-V163 HydrophobicContact CD1-CG1 4.3Å; L143-V163 HydrophobicContact CD1-CG2 3.88Å; V163-R180 CarbonylContact C-O 3.59Å; V163-R180 VanDerWaalsContact CA-O 3.3Å; V163-R180 WeakPolarHBondContact CA-O 3.38Å; V163-L181 HydrophobicContact CG2-CD1 3.81Å
164V93Very high84.5Confident0 Ų080 Ų800%042%0.415CS..EExtended strand (participates in β ladder)trans-104.8129.6171.369.40000109.7H121 I146 I158 I166 Y179 R180H121-V164 HydrophobicContact CB-CG2 4Å; I146-V164 HydrophobicContact CG2-CG1 4.36Å; I158-V164 HydrophobicContact CD1-CB 4.16Å; I158-V164 HydrophobicContact CD1-CG2 4.2Å; V164-I166 HydrophobicContact CG1-CD1 4.44Å; V164-I166 HydrophobicContact CG1-CG1 4.26Å; V164-Y179 WeakPolarHBondContact O-CA 3.32Å; V164-R180 HydrophobicContact CG1-CB 3.93Å; V164-R180 PolarHBondContact N-O 2.88Å; V164-R180 PolarHBondContact O-N 2.86Å
165K92.8Very high84.7Confident60 Ų6083.2 Ų83.226%0.26143%0.428SS..EExtended strand (participates in β ladder)trans-88.4126.8169.5179.2-177.5-178.6-177.40108.5H121 V122 M124 I167 I177 Y179H121-K165 WeakPolarHBondContact CA-O 3.12Å; V122-K165 HydrophobicContact CB-CB 4.41Å; V122-K165 PolarHBondContact N-O 3.44Å; V122-K165 PolarHBondContact O-N 3.15Å; M124-K165 HydrophobicContact CG-CB 3.87Å; M124-K165 HydrophobicContact SD-CB 3.96Å; K165-I167 HydrophobicContact CD-CD1 4.47Å; K165-I167 HydrophobicContact CD-CG1 4.43Å; K165-I167 HydrophobicContact CG-CG1 4.22Å; K165-I177 HydrophobicContact CD-CG2 4.25Å; K165-I177 HydrophobicContact CG-CG2 3.77Å; K165-Y179 HydrophobicContact CB-CD1 4Å; K165-Y179 HydrophobicContact CB-CE1 4.01Å; K165-Y179 HydrophobicContact CD-CE1 4.03Å; K165-Y179 HydrophobicContact CG-CD1 4.09Å; K165-Y179 HydrophobicContact CG-CE1 3.69Å
166I90.7Very high85.4Confident4 Ų479.9 Ų79.92%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-114.1119.4179.4-47.5179.6000107.8P119 E120 V164 R168 I177 T178 R180P119-I166 HydrophobicContact CB-CG2 4.05Å; E120-I166 CarbonylContact O-C 3.25Å; E120-I166 WeakPolarHBondContact O-CA 3.41Å; V164-I166 HydrophobicContact CG1-CD1 4.44Å; V164-I166 HydrophobicContact CG1-CG1 4.26Å; I166-R168 HydrophobicContact CG2-CG 4.11Å; I166-I177 WeakPolarHBondContact O-CA 3.34Å; I166-T178 HydrophobicContact CB-CG2 3.71Å; I166-T178 HydrophobicContact CD1-CG2 4.25Å; I166-T178 HydrophobicContact CG1-CG2 4.3Å; I166-T178 HydrophobicContact CG2-CG2 4.39Å; I166-T178 PolarHBondContact N-O 3.16Å; I166-T178 PolarHBondContact O-N 2.95Å; I166-R180 HydrophobicContact CD1-CG 4.01Å
167I88.6Confident86.1Confident28 Ų2878.9 Ų78.914%0.14441%0.413CS..EExtended strand (participates in β ladder)trans-106.8117-179.6-52.1173.2000107.7P119 E120 K165 I177P119-I167 CarbonylContact C-O 3.56Å; P119-I167 VanDerWaalsContact CA-O 3.27Å; P119-I167 WeakPolarHBondContact CA-O 3.39Å; E120-I167 HydrophobicContact CB-CB 4.35Å; E120-I167 PolarHBondContact N-O 2.8Å; E120-I167 PolarHBondContact O-N 3.49Å; K165-I167 HydrophobicContact CD-CD1 4.47Å; K165-I167 HydrophobicContact CD-CG1 4.43Å; K165-I167 HydrophobicContact CG-CG1 4.22Å; I167-I177 HydrophobicContact CG1-CG1 4.49Å; I167-I177 HydrophobicContact CG2-CG1 4.49Å
168R86.4Confident86.7Confident95 Ų9577.5 Ų77.536%0.35839%0.394SS..EExtended strand (participates in β ladder)trans-115142.1-179.6-58.5-177.7-179.4-176.5-4110P119 I166 R175 Y176P119-R168 HydrophobicContact CB-CG 3.93Å; P119-R168 HydrophobicContact CG-CG 3.99Å; I166-R168 HydrophobicContact CG2-CG 4.11Å; R168-R175 CarbonylContact O-C 3.6Å; R168-R175 WeakPolarHBondContact O-CA 3.24Å; R168-Y176 HydrophobicContact CB-CD1 4.49Å; R168-Y176 PolarHBondContact N-O 3.35Å; R168-Y176 PolarHBondContact O-N 3.04Å
169P79.8Confident87.1Confident80 Ų8079 Ų7952%0.51940%0.4SS..EExtended strand (participates in β ladder)trans-62.4140.4164.227.2-31.7000109.4
170S81.3Confident87.4Confident30 Ų3075.7 Ų75.721%0.2138%0.383CS..EExtended strand (participates in β ladder)trans-133.3130.8179.9-176.30000109.3T172 G174S170-T172 PolarHBondContact O-N 3.41Å; S170-G174 PolarHBondContact N-O 3.04Å; S170-G174 CarbonylContact O-C 3.46Å; S170-G174 WeakPolarHBondContact O-CA 3.31Å; S170-G174 PolarHBondContact O-N 3.01Å
171E75.8Confident87.6Confident206 Ų20667.5 Ų67.596%0.96335%0.353SS*.THydrogen-bonded Turntrans-66.8-39.1-178.6-63.4-172.3160.700112.5
172T84Confident87.8Confident139 Ų13965.7 Ų65.785%0.85333%0.334SS*.THydrogen-bonded Turntrans-82.9-41.8-178.752.10000113.8S170S170-T172 PolarHBondContact O-N 3.41Å
173A79Confident87.7Confident70 Ų7065.3 Ų65.358%0.57933%0.332SS*.THydrogen-bonded Turntrans-1040.4-172.400000114R175A173-R175 PolarHBondContact O-N 2.7Å
174G82.3Confident86.9Confident49 Ų4969.8 Ų69.851%0.50536%0.361SS..EExtended strand (participates in β ladder)trans73-57.1-169.900000112.7S170S170-G174 PolarHBondContact N-O 3.04Å; S170-G174 CarbonylContact O-C 3.46Å; S170-G174 WeakPolarHBondContact O-CA 3.31Å; S170-G174 PolarHBondContact O-N 3.01Å
175R83.7Confident86.6Confident186 Ų18673.3 Ų73.370%0.70238%0.379SS*.EExtended strand (participates in β ladder)trans-132.3131.1175.4-70.2-174.5-77179.7-4.7111.2R168 A173R168-R175 CarbonylContact O-C 3.6Å; R168-R175 WeakPolarHBondContact O-CA 3.24Å; A173-R175 PolarHBondContact O-N 2.7Å
176Y88.2Confident86.3Confident120 Ų12073.9 Ų73.947%0.47139%0.385SS..EExtended strand (participates in β ladder)trans-105.4122.1171.6177.2-98.2000109.4R168 T178R168-Y176 HydrophobicContact CB-CD1 4.49Å; R168-Y176 PolarHBondContact N-O 3.35Å; R168-Y176 PolarHBondContact O-N 3.04Å; Y176-T178 HydrophobicContact CE1-CG2 4.07Å
177I90.8Very high86.1Confident69 Ų6977.8 Ų77.835%0.35441%0.405SS..EExtended strand (participates in β ladder)trans-109.8126.5179.7-57176.6000108.2K165 I166 I167 Y179K165-I177 HydrophobicContact CD-CG2 4.25Å; K165-I177 HydrophobicContact CG-CG2 3.77Å; I166-I177 WeakPolarHBondContact O-CA 3.34Å; I167-I177 HydrophobicContact CG1-CG1 4.49Å; I167-I177 HydrophobicContact CG2-CG1 4.49Å; I177-Y179 HydrophobicContact CG2-CE1 4.07Å; I177-Y179 HydrophobicContact CG2-CE2 3.92Å
178T92.4Very high85.9Confident21 Ų2180.8 Ų80.813%0.12942%0.421CS..EExtended strand (participates in β ladder)trans-127.5157.2173-171.40000110.6I166 Y176I166-T178 HydrophobicContact CB-CG2 3.71Å; I166-T178 HydrophobicContact CD1-CG2 4.25Å; I166-T178 HydrophobicContact CG1-CG2 4.3Å; I166-T178 HydrophobicContact CG2-CG2 4.39Å; I166-T178 PolarHBondContact N-O 3.16Å; I166-T178 PolarHBondContact O-N 2.95Å; Y176-T178 HydrophobicContact CE1-CG2 4.07Å
179Y93.6Very high85.9Confident43 Ų4379.9 Ų79.917%0.16943%0.425CS..EExtended strand (participates in β ladder)trans-126.8133.2-174.6-56.1-83.9000108.9M124 L132 V164 K165 I177M124-Y179 HydrophobicContact CE-CD1 4.42Å; M124-Y179 HydrophobicContact CE-CE1 4.09Å; M124-Y179 HydrophobicContact SD-CD1 3.43Å; M124-Y179 WeakPolarHBondContact SD-CD1 3.24Å; M124-Y179 HydrophobicContact SD-CE1 3.59Å; M124-Y179 VanDerWaalsContact SD-CE1 3.59Å; L132-Y179 HydrophobicContact CD1-CD1 4.26Å; L132-Y179 HydrophobicContact CD1-CD2 3.84Å; L132-Y179 HydrophobicContact CD1-CE1 3.92Å; L132-Y179 HydrophobicContact CD1-CE2 3.51Å; L132-Y179 HydrophobicContact CD1-CG 4.2Å; L132-Y179 HydrophobicContact CD2-CD1 3.65Å; L132-Y179 HydrophobicContact CD2-CD2 4.07Å; L132-Y179 HydrophobicContact CD2-CE1 4.04Å; L132-Y179 HydrophobicContact CD2-CE2 4.47Å; L132-Y179 HydrophobicContact CD2-CG 3.63Å; V164-Y179 WeakPolarHBondContact O-CA 3.32Å; K165-Y179 HydrophobicContact CB-CD1 4Å; K165-Y179 HydrophobicContact CB-CE1 4.01Å; K165-Y179 HydrophobicContact CD-CE1 4.03Å; K165-Y179 HydrophobicContact CG-CD1 4.09Å; K165-Y179 HydrophobicContact CG-CE1 3.69Å; I177-Y179 HydrophobicContact CG2-CE1 4.07Å; I177-Y179 HydrophobicContact CG2-CE2 3.92Å
180R93.3Very high86.3Confident87 Ų8779.9 Ų79.933%0.32842%0.418SS..EExtended strand (participates in β ladder)trans-127.6132.9178.3-61.2-165.2172.4-146.41.3112.5P144 R145 I146 V163 V164 I166P144-R180 HydrophobicContact CB-CG 4.33Å; P144-R180 CarbonylContact O-C 3.59Å; P144-R180 WeakPolarHBondContact O-CA 3.34Å; R145-R180 PolarHBondContact O-NH1 3.24Å; I146-R180 HydrophobicContact CB-CB 4.14Å; I146-R180 HydrophobicContact CG2-CB 4.03Å; V163-R180 CarbonylContact C-O 3.59Å; V163-R180 VanDerWaalsContact CA-O 3.3Å; V163-R180 WeakPolarHBondContact CA-O 3.38Å; V164-R180 HydrophobicContact CG1-CB 3.93Å; V164-R180 PolarHBondContact N-O 2.88Å; V164-R180 PolarHBondContact O-N 2.86Å; I166-R180 HydrophobicContact CD1-CG 4.01Å
181L93.8Very high86.6Confident15 Ų1583.4 Ų83.48%0.07943%0.433CS..EExtended strand (participates in β ladder)trans-87.4129.2175.6-179.569.5000110.4E140 L143 P144 R145 I146 V163 H183E140-L181 HydrophobicContact CB-CD2 4.36Å; E140-L181 WeakPolarHBondContact O-CD2 3.17Å; L143-L181 HydrophobicContact CB-CB 4.06Å; L143-L181 HydrophobicContact CD1-CB 4.49Å; P144-L181 PolarHBondContact O-N 3.4Å; R145-L181 CarbonylContact C-O 3.56Å; R145-L181 WeakPolarHBondContact CA-O 3.44Å; I146-L181 PolarHBondContact N-O 3.21Å; V163-L181 HydrophobicContact CG2-CD1 3.81Å; L181-H183 PolarHBondContact O-N 3.27Å
182V91.9Very high87.5Confident2 Ų274 Ų741%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-72.2120.8174.5-177.70000110.2I146 A148 I158 G161 Q162I146-V182 HydrophobicContact CG2-CB 4.31Å; I146-V182 HydrophobicContact CG2-CG2 3.72Å; I146-V182 CarbonylContact O-C 3.5Å; I146-V182 WeakPolarHBondContact O-CA 3.34Å; A148-V182 HydrophobicContact CB-CG1 3.94Å; I158-V182 HydrophobicContact CB-CG2 4.08Å; I158-V182 HydrophobicContact CG2-CG2 3.51Å; G161-V182 PolarHBondContact N-O 2.58Å; Q162-V182 WeakPolarHBondContact O-CG2 3.19Å; Q162-V182 PolarHBondContact O-N 2.83Å
183H88.6Confident87.8Confident66 Ų6668.6 Ų68.631%0.30635%0.354SS..EExtended strand (participates in β ladder)trans-119.2148.3178.6-170.4-78.8000110.2R145 I146 Q147 A148 L181R145-H183 HydrophobicContact CB-CB 4.24Å; R145-H183 HydrophobicContact CG-CB 4.27Å; R145-H183 PolarHBondContact NH1-CD2 3.33Å; R145-H183 PolarHBondContact NH1-NE2 3.28Å; I146-H183 PolarHBondContact O-N 3.23Å; Q147-H183 CarbonylContact C-O 3.59Å; Q147-H183 WeakPolarHBondContact CA-O 3.14Å; A148-H183 PolarHBondContact N-O 3.46Å; L181-H183 PolarHBondContact O-N 3.27Å
184P75.9Confident88.6Confident95 Ų9568.5 Ų68.562%0.61733%0.334SS*.  trans-49.90168.8-27.435.2000113.1R160R160-P184 HydrophobicContact CG-CG 4.26Å

Retrieved 184 of 184 residues in 165.4 ms (Link to these results)

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