A0A5K4FAS5_SCHMA Loading...

CMP/dCMP-type deaminase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 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
1M53.1Low76.2Confident151 Ų15178.6 Ų78.674%0.74440%0.401SS*.  01260-70.6-165.6175.400106.8Y5 T36M1-Y5 HydrophobicContact CB-CD2 3.99Å; M1-Y5 HydrophobicContact CB-CE2 4.1Å; M1-Y5 HydrophobicContact CG-CE2 4.32Å; M1-Y5 HydrophobicContact SD-CD1 4.4Å; M1-Y5 HydrophobicContact SD-CD2 4.42Å; M1-Y5 HydrophobicContact SD-CE1 4.2Å; M1-Y5 HydrophobicContact SD-CE2 4.18Å; M1-T36 HydrophobicContact CE-CG2 3.48Å; M1-T36 VanDerWaalsContact CE-CG2 3.48Å; M1-T36 HydrophobicContact SD-CG2 3.68Å
2S51.3Low76.9Confident63 Ų6372.3 Ų72.344%0.44137%0.369SS..  trans-57.8165.3-175.939.50000112.3E4 Y5S2-E4 PolarHBondContact O-N 3.37Å; S2-E4 PolarHBondContact OG-OE2 3.02Å; S2-Y5 PolarHBondContact O-N 2.77Å
3D59.1Low77.2Confident176 Ų17669 Ų6994%0.94136%0.364SS*.THydrogen-bonded Turntrans-583.1169.9-75.2-36.1000114
4E76Confident77.7Confident132 Ų13265.2 Ų65.262%0.61735%0.35SS*.THydrogen-bonded Turntrans-80.5-19.8-180-70.1171141.700114S2 P48S2-E4 PolarHBondContact O-N 3.37Å; S2-E4 PolarHBondContact OG-OE2 3.02Å; E4-P48 WeakPolarHBondContact O-CD 3.11Å; E4-P48 WeakPolarHBondContact O-CG 3.12Å
5Y84.2Confident78.6Confident40 Ų4061 Ų6116%0.15733%0.328CS..SBendtrans-84.6131-177.7-72.6-103.1000111.9M1 S2 E34 I46 H47M1-Y5 HydrophobicContact CB-CD2 3.99Å; M1-Y5 HydrophobicContact CB-CE2 4.1Å; M1-Y5 HydrophobicContact CG-CE2 4.32Å; M1-Y5 HydrophobicContact SD-CD1 4.4Å; M1-Y5 HydrophobicContact SD-CD2 4.42Å; M1-Y5 HydrophobicContact SD-CE1 4.2Å; M1-Y5 HydrophobicContact SD-CE2 4.18Å; S2-Y5 PolarHBondContact O-N 2.77Å; Y5-E34 HydrophobicContact CE1-CB 4.49Å; Y5-E34 PolarHBondContact OH-OE2 3.49Å; Y5-I46 VanDerWaalsContact CD1-C 3.48Å; Y5-H47 HydrophobicContact CE1-CB 4.28Å
6T86.7Confident79.4Confident54 Ų5462.1 Ų62.133%0.33133%0.329SS..EExtended strand (participates in β ladder)trans-77.7130.9173.3-52.60000109.9S45 I46 V51T6-S45 WeakPolarHBondContact O-CA 3.43Å; T6-I46 PolarHBondContact N-O 2.95Å; T6-I46 PolarHBondContact O-N 2.91Å; T6-V51 HydrophobicContact CG2-CG1 4.36Å; T6-V51 HydrophobicContact CG2-CG2 3.95Å
7K87.8Confident80.3Confident146 Ų14659.4 Ų59.464%0.63531%0.314SS*.EExtended strand (participates in β ladder)trans-96.1124.5177.5-66.7173.3-175.4163.70110.2L43 I44K7-L43 HydrophobicContact CB-CD2 4.47Å; K7-I44 CarbonylContact C-O 3.51Å; K7-I44 WeakPolarHBondContact CA-O 3.5Å
8I86.7Confident81Confident1 Ų156.4 Ų56.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-111.1122.2177.5-58.1174000108.1V10 L43 I44 I46 V51 V54 L58 M65 V68I8-V10 HydrophobicContact CG2-CG1 4.07Å; I8-V10 PolarHBondContact O-N 2.64Å; I8-L43 WeakPolarHBondContact O-CA 3.03Å; I8-I44 PolarHBondContact N-O 3.21Å; I8-I44 PolarHBondContact O-N 3.41Å; I8-I46 HydrophobicContact CD1-CD1 4.35Å; I8-V51 HydrophobicContact CD1-CG1 4.35Å; I8-V54 HydrophobicContact CD1-CG1 4.49Å; I8-L58 HydrophobicContact CG2-CD1 4.23Å; I8-M65 HydrophobicContact CG2-CG 4.21Å; I8-M65 HydrophobicContact CG2-SD 3.66Å; I8-V68 HydrophobicContact CB-CG2 4.48Å; I8-V68 HydrophobicContact CG1-CG2 4.41Å; I8-V68 HydrophobicContact CG2-CG2 3.81Å
9N84.6Confident81.6Confident38 Ų3855.6 Ų55.620%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-78.9115.9175.3-167.2-25.2000109.9N42 L43 M65 K66 D67N9-N42 CarbonylContact C-O 3.57Å; N9-N42 WeakPolarHBondContact CA-O 3.4Å; N9-N42 PolarHBondContact OD1-O 3.04Å; N9-L43 HydrophobicContact CB-CD2 4.15Å; N9-M65 VanDerWaalsContact O-CA 3.24Å; N9-M65 WeakPolarHBondContact O-CA 3.09Å; N9-K66 HydrophobicContact CB-CB 4.19Å; N9-K66 WeakPolarHBondContact CB-O 3.1Å; N9-K66 PolarHBondContact O-N 3.49Å; N9-D67 PolarHBondContact ND2-OD2 2.75Å
10V85.3Confident82.2Confident0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-121.4113.8177.8-69.30000110.2I8 I12 N42 I44 L58 M65I8-V10 HydrophobicContact CG2-CG1 4.07Å; I8-V10 PolarHBondContact O-N 2.64Å; V10-I12 HydrophobicContact CG2-CG2 4.24Å; V10-I12 PolarHBondContact O-N 2.81Å; V10-N42 PolarHBondContact N-O 3.38Å; V10-N42 CarbonylContact O-C 3.58Å; V10-N42 WeakPolarHBondContact O-CA 3.24Å; V10-N42 WeakPolarHBondContact O-CB 3.42Å; V10-N42 PolarHBondContact O-OD1 2.69Å; V10-I44 HydrophobicContact CB-CD1 4.25Å; V10-I44 HydrophobicContact CG1-CD1 3.64Å; V10-I44 HydrophobicContact CG1-CG1 4.26Å; V10-I44 HydrophobicContact CG2-CD1 3.62Å; V10-I44 HydrophobicContact CG2-CG1 3.51Å; V10-L58 HydrophobicContact CG1-CD1 3.84Å; V10-M65 HydrophobicContact CG1-CG 4.21Å
11N83.9Confident82.8Confident64 Ų6451.9 Ų51.934%0.34228%0.278SS..  trans-75.685.6178-176.81.3000111.3D64 R140N11-D64 PolarHBondContact N-O 3.06Å; N11-R140 PolarHBondContact O-NH1 3.31Å; N11-R140 VanDerWaalsContact O-NH1 3.07Å; N11-R140 PolarHBondContact O-NH2 3.37Å
12I84.4Confident84.7Confident2 Ų244.9 Ų44.91%0.0124%0.243CC..  trans-85.4-21.617462.5170.7000112.7V10 G14 C15 C18 L19 L22 N42 L63 R140V10-I12 HydrophobicContact CG2-CG2 4.24Å; V10-I12 PolarHBondContact O-N 2.81Å; I12-G14 PolarHBondContact O-N 3.11Å; I12-C15 PolarHBondContact O-N 2.99Å; I12-C18 HydrophobicContact CB-CB 4.05Å; I12-C18 HydrophobicContact CG2-CB 4.12Å; I12-L19 HydrophobicContact CD1-CB 4.29Å; I12-L19 HydrophobicContact CD1-CD1 4.33Å; I12-L22 HydrophobicContact CG2-CD1 3.58Å; I12-N42 WeakPolarHBondContact CG1-OD1 3.27Å; I12-N42 PolarHBondContact N-OD1 3.26Å; I12-L63 HydrophobicContact CG2-CD2 4.13Å; I12-R140 PolarHBondContact O-NH1 2.91Å
13G80.2Confident86.7Confident30 Ų3045.1 Ų45.131%0.30924%0.237SC..THydrogen-bonded Turntrans62.937.9172.700000113.4C15 N42 H134G13-C15 PolarHBondContact O-N 3.04Å; G13-N42 PolarHBondContact N-OD1 3.31Å; G13-N42 VanDerWaalsContact N-OD1 3.12Å; G13-H134 PolarHBondContact O-CE1 3.06Å; G13-H134 PolarHBondContact O-ND1 2.89Å
14G84.6Confident88.4Confident16 Ų1637.1 Ų37.117%0.16519%0.194CC..THydrogen-bonded Turntrans75-0.3178.100000115.9I12 K16I12-G14 PolarHBondContact O-N 3.11Å; G14-K16 PolarHBondContact O-N 3.39Å
15C91.7Very high89.2Confident2 Ų231 Ų311%0.01417%0.165CC..  trans-70113-177.91760000112I12 G13 N17 C18 L19 H134 C138 H142I12-C15 PolarHBondContact O-N 2.99Å; G13-C15 PolarHBondContact O-N 3.04Å; C15-N17 PolarHBondContact O-N 3.29Å; C15-C18 HydrophobicContact CB-CB 3.96Å; C15-C18 WeakPolarHBondContact O-CB 3.28Å; C15-C18 PolarHBondContact O-N 3.43Å; C15-C18 VanDerWaalsContact O-N 3.15Å; C15-C18 PolarHBondContact SG-N 3.16Å; C15-C18 VanDerWaalsContact SG-N 3.37Å; C15-L19 PolarHBondContact O-N 2.99Å; C15-L19 VanDerWaalsContact O-N 3.07Å; C15-H134 HydrophobicContact CB-CB 4.44Å; C15-C138 HydrophobicContact CB-CB 4.14Å; C15-C138 VanDerWaalsContact SG-CB 3.6Å; C15-C138 VanDerWaalsContact SG-SG 3.62Å; C15-H142 PolarHBondContact SG-NE2 3.07Å; C15-H142 VanDerWaalsContact SG-NE2 3.35Å
16K91.3Very high89.6Confident79 Ų7929 Ų2934%0.34316%0.158SC..Hα-helixtrans-59.3-32177-61.2178.5-170.9159.90113.3G14 L19 S20 E135 E448G14-K16 PolarHBondContact O-N 3.39Å; K16-L19 PolarHBondContact O-N 2.92Å; K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.7Å; K16-S20 PolarHBondContact O-OG 3.32Å; K16-E135 IonicContact NZ-OE1 3.51Å; K16-E448 IonicContact NZ-OE1 3.36Å; K16-E448 PolarHBondContact NZ-OE1 3.13Å; K16-E448 IonicContact NZ-OE2 2.78Å; K16-E448 PolarHBondContact NZ-OE2 2.8Å
17N94.1Very high89.9Confident15 Ų1531.3 Ų31.38%0.0817%0.165CC..Hα-helixtrans-71.6-40.2177.6-68.6-19.2000111.6C15 L19 S20 S21 H142 R240C15-N17 PolarHBondContact O-N 3.29Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-S20 PolarHBondContact O-N 2.73Å; N17-S21 PolarHBondContact O-N 3.34Å; N17-S21 PolarHBondContact O-OG 3.43Å; N17-H142 VanDerWaalsContact C-CD2 3.46Å; N17-R240 HydrophobicContact CB-CB 4.48Å; N17-R240 HydrophobicContact CB-CG 4.19Å; N17-R240 WeakPolarHBondContact OD1-CG 3.44Å
18C92.7Very high90Very high7 Ų728.6 Ų28.65%0.04715%0.153CC..Hα-helixtrans-60.2-45.1171.7-75.10000110.8I12 C15 S21 L22 H142I12-C18 HydrophobicContact CB-CB 4.05Å; I12-C18 HydrophobicContact CG2-CB 4.12Å; C15-C18 HydrophobicContact CB-CB 3.96Å; C15-C18 WeakPolarHBondContact O-CB 3.28Å; C15-C18 PolarHBondContact O-N 3.43Å; C15-C18 VanDerWaalsContact O-N 3.15Å; C15-C18 PolarHBondContact SG-N 3.16Å; C15-C18 VanDerWaalsContact SG-N 3.37Å; C18-S21 PolarHBondContact O-N 3.35Å; C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 WeakPolarHBondContact O-CG 2.88Å; C18-L22 PolarHBondContact O-N 2.97Å; C18-H142 PolarHBondContact N-CD2 2.91Å; C18-H142 VanDerWaalsContact N-CD2 3.3Å; C18-H142 PolarHBondContact SG-CD2 3.21Å; C18-H142 PolarHBondContact SG-NE2 3.27Å; C18-H142 VanDerWaalsContact SG-NE2 3.35Å
19L93.1Very high90.3Very high40 Ų4029.1 Ų29.121%0.20916%0.155CC..Hα-helixtrans-59.7-46.6176.3-177.561.5000111.6I12 C15 K16 N17 S21 L22 H23 I37I12-L19 HydrophobicContact CD1-CB 4.29Å; I12-L19 HydrophobicContact CD1-CD1 4.33Å; C15-L19 PolarHBondContact O-N 2.99Å; C15-L19 VanDerWaalsContact O-N 3.07Å; K16-L19 PolarHBondContact O-N 2.92Å; N17-L19 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.69Å; L19-L22 WeakPolarHBondContact O-CB 2.96Å; L19-L22 PolarHBondContact O-N 2.89Å; L19-H23 PolarHBondContact O-CD2 3Å; L19-H23 PolarHBondContact O-N 3.43Å; L19-I37 HydrophobicContact CD1-CB 3.92Å; L19-I37 HydrophobicContact CD1-CD1 4.1Å; L19-I37 HydrophobicContact CD1-CG2 3.49Å; L19-I37 VanDerWaalsContact CD1-CG2 3.49Å
20S93.8Very high90.5Very high28 Ų2827.4 Ų27.420%0.19615%0.146CC..Hα-helixtrans-60.3-44.6177-60.20000112.2K16 N17 L22 H23 H24 R240K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.7Å; K16-S20 PolarHBondContact O-OG 3.32Å; N17-S20 PolarHBondContact O-N 2.73Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 3.28Å; S20-H23 PolarHBondContact O-N 3.1Å; S20-H24 WeakPolarHBondContact O-CB 3.5Å; S20-H24 PolarHBondContact O-N 3.3Å; S20-R240 PolarHBondContact OG-NH2 3.02Å
21S93.6Very high90.7Very high6 Ų631.2 Ų31.24%0.04217%0.166CC..Hα-helixtrans-63-37.1176.4-64.80000112.2N17 C18 L19 H24 L25 H142N17-S21 PolarHBondContact O-N 3.34Å; N17-S21 PolarHBondContact O-OG 3.43Å; C18-S21 PolarHBondContact O-N 3.35Å; L19-S21 PolarHBondContact O-N 2.69Å; S21-H24 PolarHBondContact O-N 3.42Å; S21-L25 VanDerWaalsContact O-CB 3.25Å; S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 PolarHBondContact O-N 2.85Å; S21-H142 WeakPolarHBondContact OG-CA 3.16Å; S21-H142 WeakPolarHBondContact OG-CB 3.41Å; S21-H142 PolarHBondContact OG-O 2.85Å
22L93Very high91Very high4 Ų428.3 Ų28.32%0.02115%0.151CC..Hα-helixtrans-65.5-47.9175.7-78.2175.5000112.3I12 C18 L19 S20 H24 L25 L26 I37 I44 L58 L63I12-L22 HydrophobicContact CG2-CD1 3.58Å; C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 WeakPolarHBondContact O-CG 2.88Å; C18-L22 PolarHBondContact O-N 2.97Å; L19-L22 WeakPolarHBondContact O-CB 2.96Å; L19-L22 PolarHBondContact O-N 2.89Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 3.28Å; L22-H24 VanDerWaalsContact C-N 3.29Å; L22-H24 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 2.97Å; L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 3.03Å; L22-I37 HydrophobicContact CB-CD1 3.73Å; L22-I37 HydrophobicContact CD1-CD1 4.44Å; L22-I44 HydrophobicContact CD1-CD1 4.2Å; L22-I44 HydrophobicContact CD2-CD1 4.23Å; L22-L58 HydrophobicContact CD2-CD2 3.21Å; L22-L63 HydrophobicContact CD1-CD1 4.27Å; L22-L63 HydrophobicContact CD2-CD1 3.45Å; L22-L63 VanDerWaalsContact CD2-CD1 3.45Å; L22-L63 HydrophobicContact CG-CD1 4.09Å
23H94.4Very high91.1Very high68 Ų6836.5 Ų36.532%0.31519%0.186SC..Hα-helixtrans-56.4-46.7173.9-79.5-72.1000110.9L19 S20 L25 L26 E27 Y35L19-H23 PolarHBondContact O-CD2 3Å; L19-H23 PolarHBondContact O-N 3.43Å; S20-H23 PolarHBondContact O-N 3.1Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.04Å; H23-L26 PolarHBondContact O-N 3.4Å; H23-E27 WeakPolarHBondContact O-CB 3.4Å; H23-E27 PolarHBondContact O-N 3.4Å; H23-Y35 AromaticContact CE1-CE2 3.79Å; H23-Y35 AromaticContact ND1-CE2 3.36Å; H23-Y35 WeakPolarHBondContact ND1-CE2 3.44Å; H23-Y35 AromaticContact ND1-CZ 3.5Å; H23-Y35 PolarHBondContact ND1-OH 2.94Å
24H93.6Very high91.4Very high8 Ų840.6 Ų40.64%0.03720%0.197CC..Iπ-helixtrans-60.3-43.1176.9-168.7-56.2000112.4S20 S21 L22 K28 Y29 V144 I197 L239S20-H24 WeakPolarHBondContact O-CB 3.5Å; S20-H24 PolarHBondContact O-N 3.3Å; S21-H24 PolarHBondContact O-N 3.42Å; L22-H24 VanDerWaalsContact C-N 3.29Å; L22-H24 PolarHBondContact O-N 2.92Å; H24-K28 VanDerWaalsContact CD2-CD 3.49Å; H24-K28 WeakPolarHBondContact CD2-CD 3.39Å; H24-K28 WeakPolarHBondContact NE2-CD 3.45Å; H24-K28 WeakPolarHBondContact O-CA 3.43Å; H24-K28 WeakPolarHBondContact O-CB 3.44Å; H24-K28 PolarHBondContact O-N 2.82Å; H24-Y29 PolarHBondContact O-N 2.84Å; H24-V144 HydrophobicContact CB-CG1 4.02Å; H24-I197 WeakPolarHBondContact CE1-CD1 3.46Å; H24-I197 WeakPolarHBondContact NE2-CD1 3.34Å; H24-L239 HydrophobicContact CB-CD2 3.7Å
25L92.9Very high91.7Very high2 Ų241.1 Ų41.11%0.0120%0.195CC..Iπ-helixtrans-67.1-42-177.9-172.764.3000112S21 L22 H23 Y29 A30 L57 V61 P145 W236S21-L25 VanDerWaalsContact O-CB 3.25Å; S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 PolarHBondContact O-N 2.85Å; L22-L25 PolarHBondContact O-N 2.97Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.04Å; L25-Y29 HydrophobicContact CD1-CD1 3.85Å; L25-Y29 HydrophobicContact CD1-CG 4.47Å; L25-Y29 WeakPolarHBondContact O-CB 3.48Å; L25-A30 VanDerWaalsContact O-CB 3.29Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 2.97Å; L25-L57 HydrophobicContact CD1-CD2 4.36Å; L25-L57 HydrophobicContact CD2-CB 4.01Å; L25-L57 HydrophobicContact CG-CB 4.41Å; L25-L57 HydrophobicContact CG-CD1 4.46Å; L25-V61 HydrophobicContact CD2-CG2 4.06Å; L25-P145 HydrophobicContact CD1-CG 4.41Å; L25-W236 HydrophobicContact CD1-CH2 4.05Å; L25-W236 HydrophobicContact CD1-CZ3 3.98Å
26L92.7Very high91.7Very high0 Ų043.8 Ų43.80%021%0.211CC..Iπ-helixtrans-78.5-45.3-178-63.2179.3000112.2L22 H23 A30 D31 I32 Y35 I37 I44 I46 V54L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 3.03Å; H23-L26 PolarHBondContact O-N 3.4Å; L26-A30 CarbonylContact O-C 3.46Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-D31 PolarHBondContact O-N 2.81Å; L26-I32 HydrophobicContact CD2-CD1 4.28Å; L26-I32 WeakPolarHBondContact O-CB 3.5Å; L26-I32 PolarHBondContact O-N 2.99Å; L26-Y35 HydrophobicContact CB-CD1 4.28Å; L26-Y35 HydrophobicContact CB-CD2 4.37Å; L26-Y35 HydrophobicContact CB-CE1 4.19Å; L26-Y35 HydrophobicContact CB-CE2 4.25Å; L26-Y35 HydrophobicContact CB-CG 4.39Å; L26-Y35 HydrophobicContact CD1-CD2 3.62Å; L26-Y35 HydrophobicContact CD1-CE2 3.98Å; L26-Y35 HydrophobicContact CD1-CG 4.06Å; L26-I37 HydrophobicContact CD1-CD1 4.23Å; L26-I44 HydrophobicContact CD1-CG2 4.18Å; L26-I46 HydrophobicContact CD1-CD1 4.33Å; L26-I46 HydrophobicContact CD2-CD1 4.38Å; L26-V54 HydrophobicContact CD2-CB 4.22Å; L26-V54 HydrophobicContact CD2-CG1 3.63Å; L26-V54 HydrophobicContact CD2-CG2 3.56Å
27E92.6Very high91.6Very high102 Ų10241.4 Ų41.448%0.47720%0.201SC..Iπ-helixtrans-88.2-55.7-173.4-170.7-179.9159.400111.9H23 D31 Y35H23-E27 WeakPolarHBondContact O-CB 3.4Å; H23-E27 PolarHBondContact O-N 3.4Å; E27-D31 VanDerWaalsContact O-CA 3.3Å; E27-D31 WeakPolarHBondContact O-CA 3.37Å; E27-D31 PolarHBondContact O-N 3.41Å; E27-Y35 HydrophobicContact CB-CE1 3.92Å; E27-Y35 HydrophobicContact CG-CE1 4.47Å; E27-Y35 PolarHBondContact OE2-OH 2.96Å
28K90.8Very high91.3Very high89 Ų8942.7 Ų42.739%0.38721%0.212SC..Iπ-helixtrans-82.1-26.4-171.6-67.9-175.6176.7179.10113.8H24 E173 K199 P200H24-K28 VanDerWaalsContact CD2-CD 3.49Å; H24-K28 WeakPolarHBondContact CD2-CD 3.39Å; H24-K28 WeakPolarHBondContact NE2-CD 3.45Å; H24-K28 WeakPolarHBondContact O-CA 3.43Å; H24-K28 WeakPolarHBondContact O-CB 3.44Å; H24-K28 PolarHBondContact O-N 2.82Å; K28-E173 IonicContact NZ-OE1 2.86Å; K28-E173 PolarHBondContact NZ-OE1 2.85Å; K28-E173 IonicContact NZ-OE2 3.27Å; K28-E173 PolarHBondContact NZ-OE2 3.06Å; K28-K199 WeakPolarHBondContact O-CA 3.37Å; K28-K199 WeakPolarHBondContact O-CB 3.3Å; K28-P200 WeakPolarHBondContact O-CD 3.41Å
29Y92.5Very high90.7Very high12 Ų1244.1 Ų44.15%0.04722%0.222CC..Iπ-helixtrans-102.3-53.1177.9173.2-102.9000111.6H24 L25 D31 L57 D86 F89 P145 A198H24-Y29 PolarHBondContact O-N 2.84Å; L25-Y29 HydrophobicContact CD1-CD1 3.85Å; L25-Y29 HydrophobicContact CD1-CG 4.47Å; L25-Y29 WeakPolarHBondContact O-CB 3.48Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 3.22Å; Y29-L57 HydrophobicContact CD1-CD1 4.4Å; Y29-L57 HydrophobicContact CD1-CD2 4.44Å; Y29-L57 HydrophobicContact CE1-CD1 4.27Å; Y29-L57 HydrophobicContact CE1-CD2 3.79Å; Y29-D86 WeakPolarHBondContact CE1-OD1 3.45Å; Y29-D86 VanDerWaalsContact CZ-OD1 3.25Å; Y29-D86 PolarHBondContact OH-N 3.36Å; Y29-D86 PolarHBondContact OH-OD1 3.23Å; Y29-F89 HydrophobicContact CE2-CD2 4.01Å; Y29-F89 HydrophobicContact CE2-CE2 4.1Å; Y29-F89 AromaticContact CZ-CD2 3.98Å; Y29-F89 VanDerWaalsContact OH-CD2 3.24Å; Y29-F89 WeakPolarHBondContact OH-CD2 3.16Å; Y29-P145 HydrophobicContact CD1-CG 3.82Å; Y29-P145 HydrophobicContact CD2-CB 4.15Å; Y29-P145 HydrophobicContact CD2-CG 3.22Å; Y29-P145 HydrophobicContact CE1-CG 4.05Å; Y29-P145 HydrophobicContact CE2-CB 3.94Å; Y29-P145 HydrophobicContact CE2-CG 3.46Å; Y29-P145 VanDerWaalsContact CE2-CG 3.46Å; Y29-P145 HydrophobicContact CG-CG 3.39Å; Y29-A198 HydrophobicContact CD2-CB 3.86Å; Y29-A198 HydrophobicContact CE2-CB 3.86Å
30A89.5Confident90Very high2 Ų250.1 Ų50.12%0.01725%0.249CC..THydrogen-bonded Turntrans-79.3-9.5-177.400000114.7L25 L26 I32 R53 L57L25-A30 VanDerWaalsContact O-CB 3.29Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 2.97Å; L26-A30 CarbonylContact O-C 3.46Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; A30-I32 HydrophobicContact CB-CD1 3.88Å; A30-I32 HydrophobicContact CB-CG1 3.96Å; A30-I32 PolarHBondContact O-N 3.12Å; A30-R53 VanDerWaalsContact CA-NH2 3.35Å; A30-R53 PolarHBondContact O-NH1 3.32Å; A30-L57 HydrophobicContact CB-CD1 4.27Å
31D90.1Very high89.4Confident79 Ų7955.7 Ų55.742%0.42227%0.27SS..  trans55.331.3-177.3-157.425.6000114L26 E27 Y29 K33 P200L26-D31 PolarHBondContact O-N 2.81Å; E27-D31 VanDerWaalsContact O-CA 3.3Å; E27-D31 WeakPolarHBondContact O-CA 3.37Å; E27-D31 PolarHBondContact O-N 3.41Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 3.22Å; D31-K33 PolarHBondContact O-N 2.98Å; D31-P200 HydrophobicContact CB-CG 3.8Å
32I89.7Confident88.9Confident3 Ų357.2 Ų57.22%0.01528%0.277CS..  trans-87.2110.7176.8-57.9170.7000108.1L26 A30 Y35 H50 V54L26-I32 HydrophobicContact CD2-CD1 4.28Å; L26-I32 WeakPolarHBondContact O-CB 3.5Å; L26-I32 PolarHBondContact O-N 2.99Å; A30-I32 HydrophobicContact CB-CD1 3.88Å; A30-I32 HydrophobicContact CB-CG1 3.96Å; A30-I32 PolarHBondContact O-N 3.12Å; I32-Y35 HydrophobicContact CG2-CD1 4.32Å; I32-Y35 WeakPolarHBondContact O-CD1 3.47Å; I32-Y35 VanDerWaalsContact O-CE1 3.29Å; I32-Y35 WeakPolarHBondContact O-CE1 3.4Å; I32-H50 HydrophobicContact CD1-CB 3.83Å; I32-H50 HydrophobicContact CG1-CB 4.47Å; I32-V54 HydrophobicContact CD1-CG2 3.41Å; I32-V54 VanDerWaalsContact CD1-CG2 3.41Å
33K86.2Confident88.7Confident175 Ų17559.2 Ų59.276%0.76129%0.288SS*.  trans-81.7-32.2-178.9-62.5-179.4-176.6173.20113.3D31D31-K33 PolarHBondContact O-N 2.98Å
34E87.1Confident88.5Confident115 Ų11556 Ų5654%0.53727%0.273SS..SBendtrans-107.293.4-175.6-65.8-174.3-178.800111.7Y5Y5-E34 HydrophobicContact CE1-CB 4.49Å; Y5-E34 PolarHBondContact OH-OE2 3.49Å
35Y91.4Very high88.3Confident28 Ų2856.5 Ų56.511%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-148.6157.3172.268.3-81.5000110.8H23 L26 E27 I32 I37 S45H23-Y35 AromaticContact CE1-CE2 3.79Å; H23-Y35 AromaticContact ND1-CE2 3.36Å; H23-Y35 WeakPolarHBondContact ND1-CE2 3.44Å; H23-Y35 AromaticContact ND1-CZ 3.5Å; H23-Y35 PolarHBondContact ND1-OH 2.94Å; L26-Y35 HydrophobicContact CB-CD1 4.28Å; L26-Y35 HydrophobicContact CB-CD2 4.37Å; L26-Y35 HydrophobicContact CB-CE1 4.19Å; L26-Y35 HydrophobicContact CB-CE2 4.25Å; L26-Y35 HydrophobicContact CB-CG 4.39Å; L26-Y35 HydrophobicContact CD1-CD2 3.62Å; L26-Y35 HydrophobicContact CD1-CE2 3.98Å; L26-Y35 HydrophobicContact CD1-CG 4.06Å; E27-Y35 HydrophobicContact CB-CE1 3.92Å; E27-Y35 HydrophobicContact CG-CE1 4.47Å; E27-Y35 PolarHBondContact OE2-OH 2.96Å; I32-Y35 HydrophobicContact CG2-CD1 4.32Å; I32-Y35 WeakPolarHBondContact O-CD1 3.47Å; I32-Y35 VanDerWaalsContact O-CE1 3.29Å; I32-Y35 WeakPolarHBondContact O-CE1 3.4Å; Y35-I37 HydrophobicContact CD2-CD1 4.16Å; Y35-I37 HydrophobicContact CD2-CG1 3.83Å; Y35-I37 HydrophobicContact CE2-CD1 3.86Å; Y35-I37 HydrophobicContact CE2-CG1 3.94Å; Y35-S45 WeakPolarHBondContact CA-O 3.4Å
36T90Very high88.2Confident57 Ų5756.4 Ų56.435%0.3528%0.277SS..EExtended strand (participates in β ladder)trans-131136.8171.255.40000110.4M1 I44 S45M1-T36 HydrophobicContact CE-CG2 3.48Å; M1-T36 VanDerWaalsContact CE-CG2 3.48Å; M1-T36 HydrophobicContact SD-CG2 3.68Å; T36-I44 CarbonylContact O-C 3.54Å; T36-I44 WeakPolarHBondContact O-CA 3.36Å; T36-S45 PolarHBondContact N-O 3.32Å; T36-S45 PolarHBondContact O-N 2.9Å; T36-S45 WeakPolarHBondContact OG1-CB 3.36Å; T36-S45 PolarHBondContact OG1-OG 2.91Å
37I89.7Confident87.9Confident29 Ų2959.7 Ų59.715%0.14929%0.292CS..EExtended strand (participates in β ladder)trans-116.9115175.3-49.3-176.9000108.4L19 L22 L26 Y35 I44L19-I37 HydrophobicContact CD1-CB 3.92Å; L19-I37 HydrophobicContact CD1-CD1 4.1Å; L19-I37 HydrophobicContact CD1-CG2 3.49Å; L19-I37 VanDerWaalsContact CD1-CG2 3.49Å; L22-I37 HydrophobicContact CB-CD1 3.73Å; L22-I37 HydrophobicContact CD1-CD1 4.44Å; L26-I37 HydrophobicContact CD1-CD1 4.23Å; Y35-I37 HydrophobicContact CD2-CD1 4.16Å; Y35-I37 HydrophobicContact CD2-CG1 3.83Å; Y35-I37 HydrophobicContact CE2-CD1 3.86Å; Y35-I37 HydrophobicContact CE2-CG1 3.94Å; I37-I44 HydrophobicContact CG1-CG1 4.22Å; I37-I44 HydrophobicContact CG1-CG2 4.37Å; I37-I44 HydrophobicContact CG2-CG1 4.18Å
38S87Confident87.6Confident42 Ų4257.9 Ų57.929%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-93.6100.7170.2-176.70000109E40 K41 N42 L43S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 PolarHBondContact O-N 3.4Å; S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 WeakPolarHBondContact OG-CB 3.4Å; S38-K41 PolarHBondContact OG-N 3.07Å; S38-N42 WeakPolarHBondContact O-CA 3.28Å; S38-N42 PolarHBondContact O-N 3.27Å; S38-L43 PolarHBondContact N-O 3.35Å; S38-L43 PolarHBondContact O-N 2.87Å; S38-L43 VanDerWaalsContact O-N 3.11Å
39S80.8Confident87.4Confident38 Ų3857.8 Ų57.827%0.26630%0.296SS..THydrogen-bonded Turntrans-61.6-40.1179-176.60000112.4N42S39-N42 PolarHBondContact O-N 3.16Å
40E78.2Confident87.2Confident165 Ų16559.7 Ų59.777%0.77131%0.305SS*.THydrogen-bonded Turntrans-65.1-45.7179.5-63.7174.1-178.900112S38 N42S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 PolarHBondContact O-N 3.4Å; E40-N42 VanDerWaalsContact C-N 3.31Å
41K80.7Confident87Confident146 Ų14660 Ų6064%0.63531%0.307SS*.THydrogen-bonded Turntrans-85.5-5.9-178.5-60-177.3179.1179.10113S38 L43S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 WeakPolarHBondContact OG-CB 3.4Å; S38-K41 PolarHBondContact OG-N 3.07Å; K41-L43 HydrophobicContact CB-CB 4.37Å; K41-L43 HydrophobicContact CB-CD1 3.83Å; K41-L43 HydrophobicContact CB-CG 4.07Å; K41-L43 HydrophobicContact CD-CD1 4.42Å; K41-L43 PolarHBondContact O-N 2.97Å
42N84.8Confident86.7Confident37 Ų3760.5 Ų60.520%0.19831%0.305CS..THydrogen-bonded Turntrans55.241.6-174.3-72.9-66.9000111.4N9 V10 I12 G13 S38 S39 E40N9-N42 CarbonylContact C-O 3.57Å; N9-N42 WeakPolarHBondContact CA-O 3.4Å; N9-N42 PolarHBondContact OD1-O 3.04Å; V10-N42 PolarHBondContact N-O 3.38Å; V10-N42 CarbonylContact O-C 3.58Å; V10-N42 WeakPolarHBondContact O-CA 3.24Å; V10-N42 WeakPolarHBondContact O-CB 3.42Å; V10-N42 PolarHBondContact O-OD1 2.69Å; I12-N42 WeakPolarHBondContact CG1-OD1 3.27Å; I12-N42 PolarHBondContact N-OD1 3.26Å; G13-N42 PolarHBondContact N-OD1 3.31Å; G13-N42 VanDerWaalsContact N-OD1 3.12Å; S38-N42 WeakPolarHBondContact O-CA 3.28Å; S38-N42 PolarHBondContact O-N 3.27Å; S39-N42 PolarHBondContact O-N 3.16Å; E40-N42 VanDerWaalsContact C-N 3.31Å
43L88.4Confident86.5Confident46 Ų4662 Ų6224%0.24131%0.311CS..EExtended strand (participates in β ladder)trans-122.9135.7-176.3-71.4170.3000111.2K7 I8 N9 S38 K41K7-L43 HydrophobicContact CB-CD2 4.47Å; I8-L43 WeakPolarHBondContact O-CA 3.03Å; N9-L43 HydrophobicContact CB-CD2 4.15Å; S38-L43 PolarHBondContact N-O 3.35Å; S38-L43 PolarHBondContact O-N 2.87Å; S38-L43 VanDerWaalsContact O-N 3.11Å; K41-L43 HydrophobicContact CB-CB 4.37Å; K41-L43 HydrophobicContact CB-CD1 3.83Å; K41-L43 HydrophobicContact CB-CG 4.07Å; K41-L43 HydrophobicContact CD-CD1 4.42Å; K41-L43 PolarHBondContact O-N 2.97Å
44I89.6Confident86.7Confident0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-109.2130.6165.6-56.8168.4000108.1K7 I8 V10 L22 L26 T36 I37 I46 L58K7-I44 CarbonylContact C-O 3.51Å; K7-I44 WeakPolarHBondContact CA-O 3.5Å; I8-I44 PolarHBondContact N-O 3.21Å; I8-I44 PolarHBondContact O-N 3.41Å; V10-I44 HydrophobicContact CB-CD1 4.25Å; V10-I44 HydrophobicContact CG1-CD1 3.64Å; V10-I44 HydrophobicContact CG1-CG1 4.26Å; V10-I44 HydrophobicContact CG2-CD1 3.62Å; V10-I44 HydrophobicContact CG2-CG1 3.51Å; L22-I44 HydrophobicContact CD1-CD1 4.2Å; L22-I44 HydrophobicContact CD2-CD1 4.23Å; L26-I44 HydrophobicContact CD1-CG2 4.18Å; T36-I44 CarbonylContact O-C 3.54Å; T36-I44 WeakPolarHBondContact O-CA 3.36Å; I37-I44 HydrophobicContact CG1-CG1 4.22Å; I37-I44 HydrophobicContact CG1-CG2 4.37Å; I37-I44 HydrophobicContact CG2-CG1 4.18Å; I44-I46 HydrophobicContact CB-CD1 4.34Å; I44-I46 HydrophobicContact CG2-CD1 3.28Å; I44-I46 HydrophobicContact CG2-CG1 3.62Å; I44-L58 HydrophobicContact CD1-CD1 4.01Å; I44-L58 HydrophobicContact CD1-CD2 4.21Å
45S90.2Very high86.6Confident19 Ų1948.5 Ų48.513%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-108.2121.6171.3-42.30000109.4T6 Y35 T36T6-S45 WeakPolarHBondContact O-CA 3.43Å; Y35-S45 WeakPolarHBondContact CA-O 3.4Å; T36-S45 PolarHBondContact N-O 3.32Å; T36-S45 PolarHBondContact O-N 2.9Å; T36-S45 WeakPolarHBondContact OG1-CB 3.36Å; T36-S45 PolarHBondContact OG1-OG 2.91Å
46I89.8Confident86.3Confident0 Ų047.9 Ų47.90%025%0.25CC..EExtended strand (participates in β ladder)trans-135.2149.1-176.5-71.5150.9000109.5Y5 T6 I8 L26 I44 H50 V54Y5-I46 VanDerWaalsContact CD1-C 3.48Å; T6-I46 PolarHBondContact N-O 2.95Å; T6-I46 PolarHBondContact O-N 2.91Å; I8-I46 HydrophobicContact CD1-CD1 4.35Å; L26-I46 HydrophobicContact CD1-CD1 4.33Å; L26-I46 HydrophobicContact CD2-CD1 4.38Å; I44-I46 HydrophobicContact CB-CD1 4.34Å; I44-I46 HydrophobicContact CG2-CD1 3.28Å; I44-I46 HydrophobicContact CG2-CG1 3.62Å; I46-H50 HydrophobicContact CG2-CB 3.67Å; I46-V54 HydrophobicContact CD1-CB 3.95Å; I46-V54 HydrophobicContact CD1-CG1 3.49Å; I46-V54 VanDerWaalsContact CD1-CG1 3.49Å; I46-V54 HydrophobicContact CD1-CG2 3.9Å; I46-V54 HydrophobicContact CG2-CG2 4.47Å
47H87.3Confident86.2Confident70 Ų7045.1 Ų45.132%0.32423%0.233SC..  trans-59.1137.7175.7-171.2-95.1000111.4Y5 V49 H50Y5-H47 HydrophobicContact CE1-CB 4.28Å; H47-V49 VanDerWaalsContact CE1-CG2 3.46Å; H47-V49 WeakPolarHBondContact CE1-CG2 3.28Å; H47-V49 WeakPolarHBondContact ND1-CG2 3.34Å; H47-V49 PolarHBondContact ND1-N 3.02Å; H47-V49 PolarHBondContact O-N 2.93Å; H47-H50 PolarHBondContact O-N 3.19Å
48P86.2Confident86.1Confident63 Ų6343.8 Ų43.841%0.40923%0.226SC..G310 helixtrans-50.7-33.3-173.6-31.636.6000115.2E4 H50 V51E4-P48 WeakPolarHBondContact O-CD 3.11Å; E4-P48 WeakPolarHBondContact O-CG 3.12Å; P48-H50 VanDerWaalsContact C-N 3.29Å; P48-H50 PolarHBondContact O-N 2.93Å; P48-V51 WeakPolarHBondContact O-CB 3.5Å; P48-V51 PolarHBondContact O-N 2.85Å
49V86.5Confident86Confident88 Ų8845.9 Ų45.953%0.53323%0.23SC..G310 helixtrans-58.7-37.2178.6173.50000112.5H47H47-V49 VanDerWaalsContact CE1-CG2 3.46Å; H47-V49 WeakPolarHBondContact CE1-CG2 3.28Å; H47-V49 WeakPolarHBondContact ND1-CG2 3.34Å; H47-V49 PolarHBondContact ND1-N 3.02Å; H47-V49 PolarHBondContact O-N 2.93Å
50H87.6Confident86.1Confident52 Ų5245.9 Ų45.924%0.24123%0.225CC..G310 helixtrans-93.5-5.8-175.9-58.5-58.9000113.7I32 I46 H47 P48 K52 R53 V54I32-H50 HydrophobicContact CD1-CB 3.83Å; I32-H50 HydrophobicContact CG1-CB 4.47Å; I46-H50 HydrophobicContact CG2-CB 3.67Å; H47-H50 PolarHBondContact O-N 3.19Å; P48-H50 VanDerWaalsContact C-N 3.29Å; P48-H50 PolarHBondContact O-N 2.93Å; H50-K52 PolarHBondContact O-N 2.91Å; H50-R53 PolarHBondContact O-N 3.45Å; H50-V54 HydrophobicContact CB-CG2 4.39Å; H50-V54 WeakPolarHBondContact O-CG2 3.41Å; H50-V54 PolarHBondContact O-N 2.98Å
51V85.9Confident86.3Confident8 Ų838.7 Ų38.75%0.04819%0.193CC..Hα-helixtrans-54.7-50.1-173.5171.10000111.4T6 I8 P48 R53 V54 T55 L72T6-V51 HydrophobicContact CG2-CG1 4.36Å; T6-V51 HydrophobicContact CG2-CG2 3.95Å; I8-V51 HydrophobicContact CD1-CG1 4.35Å; P48-V51 WeakPolarHBondContact O-CB 3.5Å; P48-V51 PolarHBondContact O-N 2.85Å; V51-R53 PolarHBondContact O-N 3.24Å; V51-V54 PolarHBondContact O-N 2.95Å; V51-T55 VanDerWaalsContact O-CB 3.31Å; V51-T55 WeakPolarHBondContact O-CB 3.21Å; V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3.28Å; V51-L72 HydrophobicContact CG1-CD1 4.3Å
52K83.3Confident86.1Confident90 Ų9032.8 Ų32.839%0.39117%0.173SC..Hα-helixtrans-57.3-50.6-179.5-71.9-173.6-178.8-171.10112.2H50 V54 T55 S56 L72 S73H50-K52 PolarHBondContact O-N 2.91Å; K52-V54 PolarHBondContact O-N 2.77Å; K52-T55 PolarHBondContact O-N 3.01Å; K52-S56 PolarHBondContact O-N 3.3Å; K52-S56 VanDerWaalsContact O-N 3.07Å; K52-S56 PolarHBondContact O-OG 3.32Å; K52-L72 HydrophobicContact CD-CD2 4.41Å; K52-L72 HydrophobicContact CG-CD2 3.63Å; K52-S73 PolarHBondContact NZ-OG 2.94Å
53R86.7Confident85.6Confident35 Ų3531.6 Ų31.613%0.13217%0.167CC..Hα-helixtrans-59.7-49.1-179.9-177-177.7176.4-161.72.8110.9A30 H50 V51 S56 L57 N84 D86A30-R53 VanDerWaalsContact CA-NH2 3.35Å; A30-R53 PolarHBondContact O-NH1 3.32Å; H50-R53 PolarHBondContact O-N 3.45Å; V51-R53 PolarHBondContact O-N 3.24Å; R53-S56 PolarHBondContact O-N 3.32Å; R53-L57 HydrophobicContact CG-CD1 4.23Å; R53-L57 WeakPolarHBondContact O-CG 3.06Å; R53-L57 PolarHBondContact O-N 2.95Å; R53-N84 PolarHBondContact NE-ND2 2.97Å; R53-N84 PolarHBondContact NH2-ND2 2.68Å; R53-N84 PolarHBondContact NH2-OD1 3.18Å; R53-D86 WeakPolarHBondContact CG-OD2 3.29Å; R53-D86 IonicContact CZ-OD2 3.83Å; R53-D86 IonicContact NE-OD2 2.91Å; R53-D86 PolarHBondContact NE-OD2 2.91Å; R53-D86 IonicContact NH2-OD2 3.93Å
54V88.6Confident84.5Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-64.9-45.6-179173.50000111.2I8 L26 I32 I46 H50 V51 K52 S56 L57 L58I8-V54 HydrophobicContact CD1-CG1 4.49Å; L26-V54 HydrophobicContact CD2-CB 4.22Å; L26-V54 HydrophobicContact CD2-CG1 3.63Å; L26-V54 HydrophobicContact CD2-CG2 3.56Å; I32-V54 HydrophobicContact CD1-CG2 3.41Å; I32-V54 VanDerWaalsContact CD1-CG2 3.41Å; I46-V54 HydrophobicContact CD1-CB 3.95Å; I46-V54 HydrophobicContact CD1-CG1 3.49Å; I46-V54 VanDerWaalsContact CD1-CG1 3.49Å; I46-V54 HydrophobicContact CD1-CG2 3.9Å; I46-V54 HydrophobicContact CG2-CG2 4.47Å; H50-V54 HydrophobicContact CB-CG2 4.39Å; H50-V54 WeakPolarHBondContact O-CG2 3.41Å; H50-V54 PolarHBondContact O-N 2.98Å; V51-V54 PolarHBondContact O-N 2.95Å; K52-V54 PolarHBondContact O-N 2.77Å; V54-S56 VanDerWaalsContact C-N 3.26Å; V54-S56 PolarHBondContact O-N 3.33Å; V54-L57 PolarHBondContact O-N 2.86Å; V54-L57 VanDerWaalsContact O-N 3.15Å; V54-L58 HydrophobicContact CG1-CD1 3.54Å; V54-L58 HydrophobicContact CG1-CG 3.8Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 WeakPolarHBondContact O-CG 3.45Å; V54-L58 PolarHBondContact O-N 3.07Å
55T85.5Confident83.1Confident5 Ų535.7 Ų35.73%0.03119%0.188CC..Hα-helixtrans-54.3-43.2175.5-63.30000111.3V51 K52 L58 K59 M65 V68V51-T55 VanDerWaalsContact O-CB 3.31Å; V51-T55 WeakPolarHBondContact O-CB 3.21Å; V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3.28Å; K52-T55 PolarHBondContact O-N 3.01Å; T55-L58 PolarHBondContact O-N 3.43Å; T55-K59 HydrophobicContact CG2-CD 4.32Å; T55-K59 WeakPolarHBondContact O-CB 3.05Å; T55-K59 VanDerWaalsContact O-CG 3.32Å; T55-K59 WeakPolarHBondContact O-CG 3.15Å; T55-K59 PolarHBondContact O-N 3.43Å; T55-M65 HydrophobicContact CG2-CE 3.48Å; T55-M65 VanDerWaalsContact CG2-CE 3.48Å; T55-M65 HydrophobicContact CG2-SD 4.28Å; T55-V68 HydrophobicContact CG2-CG1 4.26Å
56S85.2Confident81.5Confident15 Ų1540.5 Ų40.511%0.10521%0.207CC..Hα-helixtrans-63.3-46.2176.7-63.70000112.6K52 R53 V54 L58 K59 F60K52-S56 PolarHBondContact O-N 3.3Å; K52-S56 VanDerWaalsContact O-N 3.07Å; K52-S56 PolarHBondContact O-OG 3.32Å; R53-S56 PolarHBondContact O-N 3.32Å; V54-S56 VanDerWaalsContact C-N 3.26Å; V54-S56 PolarHBondContact O-N 3.33Å; S56-L58 PolarHBondContact O-N 3.07Å; S56-K59 PolarHBondContact O-N 3.18Å; S56-F60 PolarHBondContact O-N 3.49Å
57L88.9Confident79.6Confident0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-61-44.9176.3-68.9169.8000111.8L25 Y29 A30 R53 V54 F60 V61 L90 W236L25-L57 HydrophobicContact CD1-CD2 4.36Å; L25-L57 HydrophobicContact CD2-CB 4.01Å; L25-L57 HydrophobicContact CG-CB 4.41Å; L25-L57 HydrophobicContact CG-CD1 4.46Å; Y29-L57 HydrophobicContact CD1-CD1 4.4Å; Y29-L57 HydrophobicContact CD1-CD2 4.44Å; Y29-L57 HydrophobicContact CE1-CD1 4.27Å; Y29-L57 HydrophobicContact CE1-CD2 3.79Å; A30-L57 HydrophobicContact CB-CD1 4.27Å; R53-L57 HydrophobicContact CG-CD1 4.23Å; R53-L57 WeakPolarHBondContact O-CG 3.06Å; R53-L57 PolarHBondContact O-N 2.95Å; V54-L57 PolarHBondContact O-N 2.86Å; V54-L57 VanDerWaalsContact O-N 3.15Å; L57-F60 PolarHBondContact O-N 3.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.45Å; L57-V61 PolarHBondContact O-N 2.81Å; L57-L90 HydrophobicContact CD2-CD1 4.06Å; L57-L90 HydrophobicContact CD2-CD2 4.15Å; L57-L90 HydrophobicContact CD2-CG 4.33Å; L57-L90 HydrophobicContact CG-CD1 4.48Å; L57-W236 HydrophobicContact CD2-CH2 4.14Å
58L87.3Confident77.5Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-64.5-42.4178.9-65.2175.6000112.2I8 V10 L22 I44 V54 T55 S56 F60 V61 G62 L63 M65I8-L58 HydrophobicContact CG2-CD1 4.23Å; V10-L58 HydrophobicContact CG1-CD1 3.84Å; L22-L58 HydrophobicContact CD2-CD2 3.21Å; I44-L58 HydrophobicContact CD1-CD1 4.01Å; I44-L58 HydrophobicContact CD1-CD2 4.21Å; V54-L58 HydrophobicContact CG1-CD1 3.54Å; V54-L58 HydrophobicContact CG1-CG 3.8Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 WeakPolarHBondContact O-CG 3.45Å; V54-L58 PolarHBondContact O-N 3.07Å; T55-L58 PolarHBondContact O-N 3.43Å; S56-L58 PolarHBondContact O-N 3.07Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.27Å; L58-V61 PolarHBondContact O-N 3.13Å; L58-G62 PolarHBondContact O-N 2.9Å; L58-L63 HydrophobicContact CB-CB 4.49Å; L58-L63 HydrophobicContact CD2-CD1 3.53Å; L58-L63 PolarHBondContact O-N 2.83Å; L58-M65 HydrophobicContact CB-CE 4.38Å; L58-M65 HydrophobicContact CB-SD 3.78Å; L58-M65 HydrophobicContact CD1-SD 3.75Å; L58-M65 HydrophobicContact CG-SD 4.44Å
59K83.8Confident75Confident87 Ų8748 Ų4838%0.37825%0.246SC..Hα-helixtrans-58.2-45.7174.1-77.4178.4-179.5176.90110.7T55 S56 G62 M65T55-K59 HydrophobicContact CG2-CD 4.32Å; T55-K59 WeakPolarHBondContact O-CB 3.05Å; T55-K59 VanDerWaalsContact O-CG 3.32Å; T55-K59 WeakPolarHBondContact O-CG 3.15Å; T55-K59 PolarHBondContact O-N 3.43Å; S56-K59 PolarHBondContact O-N 3.18Å; K59-G62 WeakPolarHBondContact O-CA 3.24Å; K59-G62 PolarHBondContact O-N 3.33Å; K59-M65 HydrophobicContact CB-CE 4.49Å; K59-M65 HydrophobicContact CD-CE 4.08Å; K59-M65 HydrophobicContact CG-CE 3.35Å
60F82.6Confident72.6Confident37 Ų3751.3 Ų51.316%0.16226%0.261CS..Hα-helixtrans-65.6-43.8-177.4-170.9-92.7000112.8S56 L57 L58 G62 L90 P91 W236 F265 I273 L275S56-F60 PolarHBondContact O-N 3.49Å; L57-F60 PolarHBondContact O-N 3.07Å; L58-F60 VanDerWaalsContact C-N 3.31Å; L58-F60 PolarHBondContact O-N 3.27Å; F60-G62 PolarHBondContact O-N 2.59Å; F60-L90 HydrophobicContact CB-CD2 3.71Å; F60-L90 HydrophobicContact CD1-CD2 4.5Å; F60-L90 HydrophobicContact CD2-CD2 4.28Å; F60-L90 HydrophobicContact CG-CD2 3.9Å; F60-P91 VanDerWaalsContact CD2-CD 3.5Å; F60-P91 HydrophobicContact CD2-CG 4.05Å; F60-P91 HydrophobicContact CE2-CG 4.11Å; F60-W236 AromaticContact CD1-CD2 3.99Å; F60-W236 HydrophobicContact CD1-CD2 3.99Å; F60-W236 AromaticContact CD1-CE2 3.47Å; F60-W236 VanDerWaalsContact CD1-CE2 3.47Å; F60-W236 HydrophobicContact CD1-CE3 4.5Å; F60-W236 HydrophobicContact CD1-CH2 4.09Å; F60-W236 AromaticContact CD1-CZ2 3.52Å; F60-W236 HydrophobicContact CD1-CZ2 3.52Å; F60-W236 AromaticContact CD1-NE1 3.76Å; F60-W236 AromaticContact CE1-CD1 3.46Å; F60-W236 VanDerWaalsContact CE1-CD1 3.46Å; F60-W236 AromaticContact CE1-CD2 3.73Å; F60-W236 HydrophobicContact CE1-CD2 3.73Å; F60-W236 AromaticContact CE1-CE2 3.32Å; F60-W236 AromaticContact CE1-CG 3.79Å; F60-W236 HydrophobicContact CE1-CG 3.79Å; F60-W236 AromaticContact CE1-CZ2 3.88Å; F60-W236 HydrophobicContact CE1-CZ2 3.88Å; F60-W236 AromaticContact CE1-NE1 3.13Å; F60-W236 HydrophobicContact CG-CZ2 4.42Å; F60-W236 AromaticContact CZ-NE1 3.8Å; F60-F265 HydrophobicContact CE2-CD1 4.04Å; F60-F265 HydrophobicContact CE2-CE1 4.42Å; F60-I273 HydrophobicContact CE2-CD1 4.47Å; F60-I273 HydrophobicContact CZ-CD1 4.34Å; F60-I273 HydrophobicContact CZ-CG2 4.29Å; F60-L275 HydrophobicContact CE1-CD2 3.77Å; F60-L275 HydrophobicContact CZ-CD2 3.79Å
61V83.7Confident69.9Low15 Ų1557.2 Ų57.29%0.09129%0.289CS..Hα-helixtrans-66.6-10175.1179.60000111.9L25 L57 L58 W236L25-V61 HydrophobicContact CD2-CG2 4.06Å; L57-V61 WeakPolarHBondContact O-CG2 3.45Å; L57-V61 PolarHBondContact O-N 2.81Å; L58-V61 PolarHBondContact O-N 3.13Å; V61-W236 HydrophobicContact CG2-CE3 4.05Å; V61-W236 HydrophobicContact CG2-CH2 3.96Å; V61-W236 HydrophobicContact CG2-CZ3 3.39Å
62G76.5Confident67.2Low21 Ų2159.8 Ų59.822%0.21630%0.302CS..THydrogen-bonded Turntrans79.236174.700000112.5L58 K59 F60 R106L58-G62 PolarHBondContact O-N 2.9Å; K59-G62 WeakPolarHBondContact O-CA 3.24Å; K59-G62 PolarHBondContact O-N 3.33Å; F60-G62 PolarHBondContact O-N 2.59Å; G62-R106 PolarHBondContact O-NH1 3.07Å
63L73.8Confident64.7Low12 Ų1258.4 Ų58.46%0.06330%0.303CS..  trans-81.6127.6165.2-73.2167.3000109.1I12 L22 L58 M65I12-L63 HydrophobicContact CG2-CD2 4.13Å; L22-L63 HydrophobicContact CD1-CD1 4.27Å; L22-L63 HydrophobicContact CD2-CD1 3.45Å; L22-L63 VanDerWaalsContact CD2-CD1 3.45Å; L22-L63 HydrophobicContact CG-CD1 4.09Å; L58-L63 HydrophobicContact CB-CB 4.49Å; L58-L63 HydrophobicContact CD2-CD1 3.53Å; L58-L63 PolarHBondContact O-N 2.83Å; L63-M65 PolarHBondContact O-N 3.41Å
64D65.6Low62.2Low100 Ų10058.9 Ų58.954%0.53531%0.31SS..  trans-77.4120.3176.7-164.814.2000107.9N11N11-D64 PolarHBondContact N-O 3.06Å
65M59.7Low59.7Low32 Ų3263.2 Ų63.216%0.15833%0.327CS..EExtended strand (participates in β ladder)trans-108.4125.6-179.7-67-175.2-6100109.4I8 N9 V10 T55 L58 K59 L63 V68I8-M65 HydrophobicContact CG2-CG 4.21Å; I8-M65 HydrophobicContact CG2-SD 3.66Å; N9-M65 VanDerWaalsContact O-CA 3.24Å; N9-M65 WeakPolarHBondContact O-CA 3.09Å; V10-M65 HydrophobicContact CG1-CG 4.21Å; T55-M65 HydrophobicContact CG2-CE 3.48Å; T55-M65 VanDerWaalsContact CG2-CE 3.48Å; T55-M65 HydrophobicContact CG2-SD 4.28Å; L58-M65 HydrophobicContact CB-CE 4.38Å; L58-M65 HydrophobicContact CB-SD 3.78Å; L58-M65 HydrophobicContact CD1-SD 3.75Å; L58-M65 HydrophobicContact CG-SD 4.44Å; K59-M65 HydrophobicContact CB-CE 4.49Å; K59-M65 HydrophobicContact CD-CE 4.08Å; K59-M65 HydrophobicContact CG-CE 3.35Å; L63-M65 PolarHBondContact O-N 3.41Å; M65-V68 HydrophobicContact CB-CG2 4.48Å
66K56.3Low57.5Low120 Ų12065.3 Ų65.352%0.52234%0.342SS..EExtended strand (participates in β ladder)trans-96.8150.9169.3-63.4-177.9179.3-178.90108.4N9 V68N9-K66 HydrophobicContact CB-CB 4.19Å; N9-K66 WeakPolarHBondContact CB-O 3.1Å; N9-K66 PolarHBondContact O-N 3.49Å; K66-V68 PolarHBondContact O-N 2.81Å
67D49.9Very low55.4Low141 Ų14173.5 Ų73.575%0.75438%0.376SS*.SBendtrans69.23.2165.5-42-41.2000117.5N9 D69N9-D67 PolarHBondContact ND2-OD2 2.75Å; D67-D69 PolarHBondContact O-N 3.1Å
68V44.4Very low52.9Low27 Ų2779.6 Ų79.616%0.16441%0.408CS..SBendtrans-81.6107.3163.7-174.10000106.5I8 T55 M65 K66 N70 L72I8-V68 HydrophobicContact CB-CG2 4.48Å; I8-V68 HydrophobicContact CG1-CG2 4.41Å; I8-V68 HydrophobicContact CG2-CG2 3.81Å; T55-V68 HydrophobicContact CG2-CG1 4.26Å; M65-V68 HydrophobicContact CB-CG2 4.48Å; K66-V68 PolarHBondContact O-N 2.81Å; V68-N70 PolarHBondContact O-N 2.89Å; V68-N70 VanDerWaalsContact O-N 3.13Å; V68-L72 HydrophobicContact CG1-CD1 3.38Å
69D33.9Very low50.8Low122 Ų12283.5 Ų83.565%0.65244%0.435SS*.  trans-39.2123176-78.3-41.4000109.9D67 H71 L72D67-D69 PolarHBondContact O-N 3.1Å; D69-H71 HydrophobicContact CB-CB 4.41Å; D69-H71 PolarHBondContact O-N 3.25Å; D69-L72 PolarHBondContact O-N 3.36Å
70N35Very low48.7Very low158 Ų15890 Ų9085%0.84546%0.463SS*.THydrogen-bonded Turntrans-58.4-1174-82.6-23.2000112.7V68V68-N70 PolarHBondContact O-N 2.89Å; V68-N70 VanDerWaalsContact O-N 3.13Å
71H30.5Very low46.8Very low176 Ų17691.9 Ų91.982%0.81548%0.478SS*.THydrogen-bonded Turntrans-87-1.7174.2-75.6-66.2000115.2D69 S73D69-H71 HydrophobicContact CB-CB 4.41Å; D69-H71 PolarHBondContact O-N 3.25Å; H71-S73 PolarHBondContact O-N 2.75Å
72L29.2Very low45.1Very low63 Ų6397.3 Ų97.333%0.3350%0.503SS..SBendtrans-69.299.1169.8-94.8147.9000109.6V51 K52 V68 D69 V74V51-L72 HydrophobicContact CG1-CD1 4.3Å; K52-L72 HydrophobicContact CD-CD2 4.41Å; K52-L72 HydrophobicContact CG-CD2 3.63Å; V68-L72 HydrophobicContact CG1-CD1 3.38Å; D69-L72 PolarHBondContact O-N 3.36Å; L72-V74 PolarHBondContact O-N 2.88Å
73S30.9Very low43.9Very low60 Ų60102.1 Ų102.142%0.4253%0.533SS..  trans-37.6129171.762.60000110.7K52 H71K52-S73 PolarHBondContact NZ-OG 2.94Å; H71-S73 PolarHBondContact O-N 2.75Å
74V35.9Very low43.6Very low45 Ų45103.3 Ų103.327%0.27354%0.539SS..  trans-30.4148.2162.9165.70000111.8L72 S76 L93 D95L72-V74 PolarHBondContact O-N 2.88Å; V74-S76 VanDerWaalsContact C-N 3.3Å; V74-S76 PolarHBondContact O-N 2.95Å; V74-L93 HydrophobicContact CG1-CB 4.11Å; V74-L93 WeakPolarHBondContact CG1-O 3.48Å; V74-L93 HydrophobicContact CG2-CB 4.22Å; V74-L93 WeakPolarHBondContact CG2-O 3.48Å; V74-D95 WeakPolarHBondContact CB-OD1 2.99Å; V74-D95 WeakPolarHBondContact CG2-OD1 3.48Å
75Y34.8Very low44.6Very low92 Ų9299.7 Ų99.736%0.36152%0.52SS..  trans-44.394.3170.6-172.1-90.8000110.3D86Y75-D86 HydrophobicContact CE2-CB 4.5Å
76S40Very low45.9Very low48 Ų4898.1 Ų98.134%0.33651%0.513SS..  trans-88.9149.1165.671.10000106.2V74 D78V74-S76 VanDerWaalsContact C-N 3.3Å; V74-S76 PolarHBondContact O-N 2.95Å; S76-D78 PolarHBondContact O-N 2.82Å; S76-D78 WeakPolarHBondContact OG-CB 3.41Å; S76-D78 VanDerWaalsContact OG-CG 3.28Å; S76-D78 PolarHBondContact OG-OD2 2.81Å
77K40.5Very low47.3Very low188 Ų18895 Ų9582%0.81750%0.501SS*.SBendtrans-61.115.5175.2-78.5179.6173.4174.20114S79K77-S79 PolarHBondContact O-N 2.75Å
78D36Very low49.1Very low128 Ų12890.3 Ų90.368%0.68447%0.473SS*.  trans-78.990.4-176.9-66.7-40.6000111.4S76S76-D78 PolarHBondContact O-N 2.82Å; S76-D78 WeakPolarHBondContact OG-CB 3.41Å; S76-D78 VanDerWaalsContact OG-CG 3.28Å; S76-D78 PolarHBondContact OG-OD2 2.81Å
79S43.2Very low51.3Low81 Ų8189 Ų8957%0.56647%0.465SS*.  161.4141.6124.647.10000107.5K77 T81K77-S79 PolarHBondContact O-N 2.75Å; S79-T81 PolarHBondContact O-N 2.6Å; S79-T81 PolarHBondContact OG-OG1 3.08Å
80K40.3Very low53.8Low223 Ų22383.7 Ų83.797%0.9744%0.437SS*.  trans-64.518.6-177.8-68.1173.6171.5177.40114.2E82K80-E82 PolarHBondContact O-N 2.71Å
81T42.4Very low55.7Low77 Ų7777.7 Ų77.747%0.47241%0.406SS..  trans-90.596.4177.247.70000109.4S79S79-T81 PolarHBondContact O-N 2.6Å; S79-T81 PolarHBondContact OG-OG1 3.08Å
82E49.3Very low57.5Low129 Ų12975.8 Ų75.860%0.60340%0.398SS*.  trans83.9126.7144.1-61.9166.2-177.800117.5K80 N84K80-E82 PolarHBondContact O-N 2.71Å; E82-N84 WeakPolarHBondContact O-CB 3.13Å; E82-N84 PolarHBondContact O-N 3.14Å
83S50.1Low58.8Low122 Ų12274.8 Ų74.885%0.85339%0.392SS*.  trans-52.193.3167.2540000110
84N68.7Low59.4Low37 Ų3777.4 Ų77.420%0.19840%0.402CS..  trans-128.9126.7-170.7171.722.2000109.5R53 E82 D86R53-N84 PolarHBondContact NE-ND2 2.97Å; R53-N84 PolarHBondContact NH2-ND2 2.68Å; R53-N84 PolarHBondContact NH2-OD1 3.18Å; E82-N84 WeakPolarHBondContact O-CB 3.13Å; E82-N84 PolarHBondContact O-N 3.14Å; N84-D86 PolarHBondContact ND2-OD2 3.44Å; N84-D86 PolarHBondContact O-N 3.04Å; N84-D86 VanDerWaalsContact OD1-CG 3.29Å; N84-D86 PolarHBondContact OD1-N 3.12Å; N84-D86 PolarHBondContact OD1-OD1 3.25Å
85D85.5Confident59.7Low24 Ų2481.6 Ų81.613%0.12842%0.423CS..THydrogen-bonded Turntrans-70.63.6-175.3-69.8-29.7000113.5I87 Y88 F89 W147 T203 W204D85-I87 PolarHBondContact O-N 3.23Å; D85-Y88 HydrophobicContact CB-CD2 4Å; D85-Y88 WeakPolarHBondContact O-CA 3.31Å; D85-Y88 WeakPolarHBondContact O-CB 3.43Å; D85-Y88 WeakPolarHBondContact O-CD2 3.48Å; D85-Y88 PolarHBondContact O-N 3.5Å; D85-F89 HydrophobicContact CB-CD2 4.04Å; D85-F89 HydrophobicContact CB-CE2 3.84Å; D85-F89 VanDerWaalsContact O-CD2 3.31Å; D85-F89 WeakPolarHBondContact O-CD2 3.37Å; D85-F89 PolarHBondContact O-N 2.79Å; D85-W147 HydrophobicContact CB-CH2 4.39Å; D85-W147 HydrophobicContact CB-CZ2 3.84Å; D85-W147 WeakPolarHBondContact OD2-CZ2 3.48Å; D85-T203 WeakPolarHBondContact OD2-CA 3.48Å; D85-T203 WeakPolarHBondContact OD2-CB 3.39Å; D85-W204 WeakPolarHBondContact OD1-CB 3.16Å; D85-W204 PolarHBondContact OD2-N 3.38Å
86D86.8Confident59.7Low0 Ų084.7 Ų84.70%045%0.445CS..Hα-helixtrans-48.3-34.6176.9-81.2-4.5000113.4Y29 R53 Y75 N84 Y88 F89 L90Y29-D86 WeakPolarHBondContact CE1-OD1 3.45Å; Y29-D86 VanDerWaalsContact CZ-OD1 3.25Å; Y29-D86 PolarHBondContact OH-N 3.36Å; Y29-D86 PolarHBondContact OH-OD1 3.23Å; R53-D86 WeakPolarHBondContact CG-OD2 3.29Å; R53-D86 IonicContact CZ-OD2 3.83Å; R53-D86 IonicContact NE-OD2 2.91Å; R53-D86 PolarHBondContact NE-OD2 2.91Å; R53-D86 IonicContact NH2-OD2 3.93Å; Y75-D86 HydrophobicContact CE2-CB 4.5Å; N84-D86 PolarHBondContact ND2-OD2 3.44Å; N84-D86 PolarHBondContact O-N 3.04Å; N84-D86 VanDerWaalsContact OD1-CG 3.29Å; N84-D86 PolarHBondContact OD1-N 3.12Å; N84-D86 PolarHBondContact OD1-OD1 3.25Å; D86-Y88 PolarHBondContact O-N 2.58Å; D86-Y88 VanDerWaalsContact O-N 3.16Å; D86-F89 PolarHBondContact O-N 3.32Å; D86-F89 VanDerWaalsContact O-N 3.07Å; D86-L90 HydrophobicContact CB-CD1 4.14Å; D86-L90 WeakPolarHBondContact O-CB 3.24Å; D86-L90 PolarHBondContact O-N 2.69Å
87I85.9Confident59.3Low53 Ų5385.1 Ų85.127%0.27245%0.448SS..Hα-helixtrans-58-28176.1-165.8171.6000113D85 L269D85-I87 PolarHBondContact O-N 3.23Å; I87-L269 HydrophobicContact CD1-CD2 4.24Å; I87-L269 HydrophobicContact CG1-CG 4.42Å
88Y88.6Confident58.9Low43 Ų4383.3 Ų83.317%0.16944%0.443CS..Hα-helixtrans-87-32.4177.2-57.3-74.8000112D85 D86 W147 W204 P234 N267 L269D85-Y88 HydrophobicContact CB-CD2 4Å; D85-Y88 WeakPolarHBondContact O-CA 3.31Å; D85-Y88 WeakPolarHBondContact O-CB 3.43Å; D85-Y88 WeakPolarHBondContact O-CD2 3.48Å; D85-Y88 PolarHBondContact O-N 3.5Å; D86-Y88 PolarHBondContact O-N 2.58Å; D86-Y88 VanDerWaalsContact O-N 3.16Å; Y88-W147 AromaticContact CD2-CH2 3.72Å; Y88-W147 HydrophobicContact CD2-CH2 3.72Å; Y88-W147 HydrophobicContact CD2-CZ2 4.43Å; Y88-W147 AromaticContact CG-CH2 3.71Å; Y88-W147 HydrophobicContact CG-CH2 3.71Å; Y88-W147 HydrophobicContact CG-CZ3 4.34Å; Y88-W204 HydrophobicContact CD2-CB 4.22Å; Y88-W204 HydrophobicContact CD2-CG 4.29Å; Y88-W204 AromaticContact CE1-CD1 3.98Å; Y88-W204 HydrophobicContact CE1-CD2 4.45Å; Y88-W204 HydrophobicContact CE1-CG 4.3Å; Y88-W204 AromaticContact CE1-NE1 3.92Å; Y88-W204 HydrophobicContact CE2-CB 3.77Å; Y88-W204 HydrophobicContact CE2-CD2 4.21Å; Y88-W204 AromaticContact CE2-CG 3.7Å; Y88-W204 HydrophobicContact CE2-CG 3.7Å; Y88-W204 AromaticContact CZ-CD1 3.84Å; Y88-W204 AromaticContact CZ-CD2 3.81Å; Y88-W204 AromaticContact CZ-CG 3.7Å; Y88-P234 WeakPolarHBondContact O-CB 3.39Å; Y88-P234 WeakPolarHBondContact O-CG 3.24Å; Y88-N267 WeakPolarHBondContact O-CB 3.48Å; Y88-N267 PolarHBondContact O-ND2 3.34Å; Y88-L269 HydrophobicContact CD1-CD1 3.82Å; Y88-L269 HydrophobicContact CE1-CD1 3.56Å
89F89.8Confident58.8Low0 Ų082.8 Ų82.80%044%0.439CS..Hα-helixtrans-93.7-20.7-172.2-71.8-70.2000114.8Y29 D85 D86 P145 G146 W147 A198 P234 C235 W236 I273Y29-F89 HydrophobicContact CE2-CD2 4.01Å; Y29-F89 HydrophobicContact CE2-CE2 4.1Å; Y29-F89 AromaticContact CZ-CD2 3.98Å; Y29-F89 VanDerWaalsContact OH-CD2 3.24Å; Y29-F89 WeakPolarHBondContact OH-CD2 3.16Å; D85-F89 HydrophobicContact CB-CD2 4.04Å; D85-F89 HydrophobicContact CB-CE2 3.84Å; D85-F89 VanDerWaalsContact O-CD2 3.31Å; D85-F89 WeakPolarHBondContact O-CD2 3.37Å; D85-F89 PolarHBondContact O-N 2.79Å; D86-F89 PolarHBondContact O-N 3.32Å; D86-F89 VanDerWaalsContact O-N 3.07Å; F89-P145 HydrophobicContact CD1-CB 3.58Å; F89-P145 HydrophobicContact CD2-CB 4.22Å; F89-P145 HydrophobicContact CE1-CB 3.63Å; F89-P145 HydrophobicContact CE2-CB 4.25Å; F89-P145 HydrophobicContact CG-CB 3.9Å; F89-P145 HydrophobicContact CZ-CB 3.98Å; F89-G146 WeakPolarHBondContact CE1-O 3.38Å; F89-G146 WeakPolarHBondContact CZ-O 3.38Å; F89-W147 AromaticContact CE2-CE2 3.85Å; F89-W147 AromaticContact CE2-CH2 3.73Å; F89-W147 HydrophobicContact CE2-CH2 3.73Å; F89-W147 AromaticContact CE2-CZ2 3.41Å; F89-W147 HydrophobicContact CE2-CZ2 3.41Å; F89-W147 VanDerWaalsContact CE2-CZ2 3.41Å; F89-W147 HydrophobicContact CE2-CZ3 4.41Å; F89-W147 AromaticContact CZ-CD2 3.92Å; F89-W147 HydrophobicContact CZ-CD2 3.92Å; F89-W147 AromaticContact CZ-CE2 3.63Å; F89-W147 HydrophobicContact CZ-CE3 4.12Å; F89-W147 AromaticContact CZ-CH2 3.84Å; F89-W147 HydrophobicContact CZ-CH2 3.84Å; F89-W147 AromaticContact CZ-CZ2 3.62Å; F89-W147 HydrophobicContact CZ-CZ2 3.62Å; F89-W147 HydrophobicContact CZ-CZ3 4.08Å; F89-A198 HydrophobicContact CE2-CB 3.84Å; F89-A198 HydrophobicContact CZ-CB 3.72Å; F89-P234 HydrophobicContact CD1-CB 3.69Å; F89-P234 HydrophobicContact CE1-CB 3.61Å; F89-P234 HydrophobicContact CG-CB 4.37Å; F89-P234 HydrophobicContact CZ-CB 4.25Å; F89-C235 WeakPolarHBondContact CE1-O 3.43Å; F89-W236 HydrophobicContact CB-CZ2 4Å; F89-W236 AromaticContact CD1-NE1 3.86Å; F89-W236 PolarHBondContact O-NE1 3.22Å; F89-W236 VanDerWaalsContact O-NE1 3.1Å; F89-I273 WeakPolarHBondContact O-CD1 3.17Å
90L85.7Confident58.1Low11 Ų1182.2 Ų82.26%0.05843%0.432CS..SBendtrans-111.4141.8-177-64.1177.1000111.3L57 F60 D86 W236 N267 S268L57-L90 HydrophobicContact CD2-CD1 4.06Å; L57-L90 HydrophobicContact CD2-CD2 4.15Å; L57-L90 HydrophobicContact CD2-CG 4.33Å; L57-L90 HydrophobicContact CG-CD1 4.48Å; F60-L90 HydrophobicContact CB-CD2 3.71Å; F60-L90 HydrophobicContact CD1-CD2 4.5Å; F60-L90 HydrophobicContact CD2-CD2 4.28Å; F60-L90 HydrophobicContact CG-CD2 3.9Å; D86-L90 HydrophobicContact CB-CD1 4.14Å; D86-L90 WeakPolarHBondContact O-CB 3.24Å; D86-L90 PolarHBondContact O-N 2.69Å; L90-W236 HydrophobicContact CD2-CZ2 4.41Å; L90-N267 WeakPolarHBondContact O-CA 3.47Å; L90-S268 PolarHBondContact O-N 3.48Å; L90-S268 PolarHBondContact O-OG 3.26Å
91P76Confident57.6Low32 Ų3275.9 Ų75.921%0.20842%0.416CS..  trans-69.5153169.729.3-33.3000111.1F60 L93 R266F60-P91 VanDerWaalsContact CD2-CD 3.5Å; F60-P91 HydrophobicContact CD2-CG 4.05Å; F60-P91 HydrophobicContact CE2-CG 4.11Å; P91-L93 PolarHBondContact O-N 2.82Å; P91-R266 WeakPolarHBondContact CA-O 3.45Å; P91-R266 VanDerWaalsContact CB-O 3.29Å; P91-R266 WeakPolarHBondContact CB-O 3.19Å
92E67.9Low57Low135 Ų13579.8 Ų79.863%0.63142%0.422SS*.  trans-62.8116.2158.2-94.1170.8-168.500108D94E92-D94 PolarHBondContact O-N 2.87Å
93L55.4Low55.9Low42 Ų4284.2 Ų84.222%0.2243%0.433CS..  trans-86102175.5-71.4168.5000107V74 P91 D95 I99V74-L93 HydrophobicContact CG1-CB 4.11Å; V74-L93 WeakPolarHBondContact CG1-O 3.48Å; V74-L93 HydrophobicContact CG2-CB 4.22Å; V74-L93 WeakPolarHBondContact CG2-O 3.48Å; P91-L93 PolarHBondContact O-N 2.82Å; L93-D95 PolarHBondContact O-N 3.48Å; L93-I99 HydrophobicContact CD2-CD1 3.73Å; L93-I99 HydrophobicContact CD2-CG1 4.27Å
94D44.8Very low55.1Low116 Ų11680.4 Ų80.462%0.6241%0.407SS*.  trans-58.5131.3170.3-78.5-27.3000109.5E92 N96 S97E92-D94 PolarHBondContact O-N 2.87Å; D94-N96 PolarHBondContact O-N 2.78Å; D94-S97 PolarHBondContact O-N 3.06Å; D94-S97 PolarHBondContact O-OG 2.89Å
95D42.2Very low53.2Low133 Ų13387.1 Ų87.171%0.71143%0.434SS*.THydrogen-bonded Turntrans-47.9-28.4177.8-79.1-34.7000113.4V74 L93V74-D95 WeakPolarHBondContact CB-OD1 2.99Å; V74-D95 WeakPolarHBondContact CG2-OD1 3.48Å; L93-D95 PolarHBondContact O-N 3.48Å
96N34.6Very low50.8Low156 Ų15692.8 Ų92.883%0.83445%0.454SS*.THydrogen-bonded Turntrans-103.8-9.3-176.5-71.8-37.4000114.5D94 Q98D94-N96 PolarHBondContact O-N 2.78Å; N96-Q98 PolarHBondContact O-N 2.98Å
97S31.9Very low48Very low57 Ų5799.6 Ų99.640%0.39948%0.483SS..  trans-7488.816076.20000105.2D94 I99D94-S97 PolarHBondContact O-N 3.06Å; D94-S97 PolarHBondContact O-OG 2.89Å; S97-I99 PolarHBondContact O-N 3.24Å
98Q32.1Very low45.3Very low151 Ų151103 Ų10371%0.70649%0.493SS*.  -41.3100.9126.6-58.5-176.715.600103.3N96 T100N96-Q98 PolarHBondContact O-N 2.98Å; Q98-T100 HydrophobicContact CB-CG2 4.36Å; Q98-T100 WeakPolarHBondContact O-CA 3.48Å; Q98-T100 PolarHBondContact O-N 3.28Å
99I34.5Very low42.8Very low116 Ų116104.8 Ų104.860%0.59551%0.505SS*.  trans-5094.2138.9-69.3175.600098.2L93 S97 S101L93-I99 HydrophobicContact CD2-CD1 3.73Å; L93-I99 HydrophobicContact CD2-CG1 4.27Å; S97-I99 PolarHBondContact O-N 3.24Å; I99-S101 PolarHBondContact O-N 3.01Å
100T27.4Very low40.2Very low69 Ų69106.7 Ų106.742%0.42352%0.515SS..  trans-47.6128.9-172.7410000100Q98 R102Q98-T100 HydrophobicContact CB-CG2 4.36Å; Q98-T100 WeakPolarHBondContact O-CA 3.48Å; Q98-T100 PolarHBondContact O-N 3.28Å; T100-R102 CarbonylContact O-C 3.56Å; T100-R102 VanDerWaalsContact O-CA 3.24Å; T100-R102 WeakPolarHBondContact O-CA 3.42Å; T100-R102 VanDerWaalsContact O-CB 3.27Å; T100-R102 WeakPolarHBondContact O-CB 3.41Å; T100-R102 PolarHBondContact O-N 3.42Å; T100-R102 WeakPolarHBondContact OG1-CG 3.26Å
101S30.8Very low37.4Very low91 Ų91109.7 Ų109.764%0.63654%0.537SS*.  trans-59.358.9148.265.10000106.2I99 R103I99-S101 PolarHBondContact O-N 3.01Å; S101-R103 VanDerWaalsContact CA-N 3.31Å; S101-R103 WeakPolarHBondContact O-CA 3.31Å; S101-R103 WeakPolarHBondContact O-CB 3.13Å; S101-R103 WeakPolarHBondContact O-CG 3.09Å; S101-R103 PolarHBondContact O-N 2.89Å
102R29.1Very low35.2Very low158 Ų158116 Ų11660%0.59656%0.563SS**  -35.777.4100.4-75.9-177.9172.5-174.61.7106.4T100 S104T100-R102 CarbonylContact O-C 3.56Å; T100-R102 VanDerWaalsContact O-CA 3.24Å; T100-R102 WeakPolarHBondContact O-CA 3.42Å; T100-R102 VanDerWaalsContact O-CB 3.27Å; T100-R102 WeakPolarHBondContact O-CB 3.41Å; T100-R102 PolarHBondContact O-N 3.42Å; T100-R102 WeakPolarHBondContact OG1-CG 3.26Å; R102-S104 PolarHBondContact O-N 3.15Å
103R26.7Very low33.6Very low222 Ų222112.8 Ų112.884%0.83855%0.548SS*.  9.428.855.8-62.5-170.7170.4-174.1-0.2113.9S101 K105S101-R103 VanDerWaalsContact CA-N 3.31Å; S101-R103 WeakPolarHBondContact O-CA 3.31Å; S101-R103 WeakPolarHBondContact O-CB 3.13Å; S101-R103 WeakPolarHBondContact O-CG 3.09Å; S101-R103 PolarHBondContact O-N 2.89Å; R103-K105 PolarHBondContact O-N 2.87Å
104S33.1Very low32.2Very low43 Ų43115.2 Ų115.230%0.30157%0.566SS.*  trans-56.999.6131.4-78.8000099.3R102 R106R102-S104 PolarHBondContact O-N 3.15Å; S104-R106 PolarHBondContact O-N 3.42Å
105K27.8Very low31.3Very low178 Ų178116.5 Ų116.577%0.77458%0.579SS**  -3.56482.4-59.7-176.1-177.91800109.5R103 K107R103-K105 PolarHBondContact O-N 2.87Å; K105-K107 HydrophobicContact CB-CG 4.43Å; K105-K107 PolarHBondContact O-N 3.04Å
106R35Very low31Very low143 Ų143116.8 Ų116.854%0.5458%0.577SS.*  -50.883.1124.7-81.7-176.5175.9156.3-1.398.6G62 S104 R108G62-R106 PolarHBondContact O-NH1 3.07Å; S104-R106 PolarHBondContact O-N 3.42Å; R106-R108 PolarHBondContact O-N 2.93Å
107K28.3Very low30.9Very low143 Ų143118.5 Ų118.562%0.62258%0.577SS**  trans-45.8109.9154-84.2-175171.7-175.3097.4K105 L109K105-K107 HydrophobicContact CB-CG 4.43Å; K105-K107 PolarHBondContact O-N 3.04Å; K107-L109 PolarHBondContact O-N 3.2Å
108R30.6Very low31.5Very low125 Ų125124.6 Ų124.647%0.47260%0.6SS.*  trans-34.4127.7163-81.1176.1162.3178.5-5103.3R106 D110R106-R108 PolarHBondContact O-N 2.93Å; R108-D110 CarbonylContact O-C 3.41Å; R108-D110 WeakPolarHBondContact O-CA 3.29Å; R108-D110 PolarHBondContact O-N 2.81Å; R108-D110 VanDerWaalsContact O-O 3.07Å
109L36.2Very low32.3Very low79 Ų79124.3 Ų124.341%0.41460%0.603SS.*SBendtrans-45-17.3-166.2-169.464.3000113.4K107 S111 K246K107-L109 PolarHBondContact O-N 3.2Å; L109-S111 PolarHBondContact O-N 3.03Å; L109-K246 HydrophobicContact CD2-CG 4.13Å
110D34.2Very low34.3Very low41 Ų41123 Ų12322%0.21960%0.597CS.*  trans-67.280.8157.1-41.6-61.2000114.3R108 H112 K246 R295R108-D110 CarbonylContact O-C 3.41Å; R108-D110 WeakPolarHBondContact O-CA 3.29Å; R108-D110 PolarHBondContact O-N 2.81Å; R108-D110 VanDerWaalsContact O-O 3.07Å; D110-H112 PolarHBondContact O-N 3.43Å; D110-K246 IonicContact OD2-NZ 2.97Å; D110-K246 PolarHBondContact OD2-NZ 3.42Å; D110-R295 IonicContact OD1-CZ 3.9Å; D110-R295 IonicContact OD1-NH1 3.14Å; D110-R295 PolarHBondContact OD1-NH1 2.77Å; D110-R295 VanDerWaalsContact OD1-NH1 3.14Å; D110-R295 IonicContact OD2-CZ 3.26Å; D110-R295 VanDerWaalsContact OD2-CZ 3.26Å; D110-R295 IonicContact OD2-NE 3.37Å; D110-R295 IonicContact OD2-NH1 2.78Å; D110-R295 PolarHBondContact OD2-NH1 2.73Å; D110-R295 IonicContact OD2-NH2 3.74Å
111S26.1Very low37.3Very low73 Ų73122.9 Ų122.951%0.5159%0.591SS.*THydrogen-bonded Turntrans-69.721.1169.247.60000115.1L109L109-S111 PolarHBondContact O-N 3.03Å
112H29.8Very low40.3Very low165 Ų165119 Ų11976%0.76457%0.565SS**THydrogen-bonded Turntrans-121.930.1173.9-68.2-68.3000113D110 P114D110-H112 PolarHBondContact O-N 3.43Å; H112-P114 WeakPolarHBondContact O-CD 3.21Å
113H34.7Very low43.5Very low67 Ų67114.3 Ų114.331%0.3155%0.551SS.*  trans-84.2106.4161-82.4-44.2000109.2T115H113-T115 PolarHBondContact O-N 2.66Å
114P26.9Very low46.8Very low93 Ų93107.3 Ų107.360%0.60453%0.529SS*.  trans-55.5133.5164.522.3-28.8000107.4H112 M116H112-P114 WeakPolarHBondContact O-CD 3.21Å; P114-M116 HydrophobicContact CB-CG 4.06Å; P114-M116 HydrophobicContact CG-CG 3.98Å; P114-M116 PolarHBondContact O-N 2.86Å
115T26.4Very low49.8Very low144 Ų144105.5 Ų105.588%0.88352%0.517SS*.  trans-6378.9170.3440000108.2H113H113-T115 PolarHBondContact O-N 2.66Å
116M34.5Very low52.9Low138 Ų138100.1 Ų100.168%0.6850%0.501SS*.  trans-81.7133.9-179-71.2-149.277.800110P114P114-M116 HydrophobicContact CB-CG 4.06Å; P114-M116 HydrophobicContact CG-CG 3.98Å; P114-M116 PolarHBondContact O-N 2.86Å
117K32.9Very low55.7Low192 Ų19297.2 Ų97.284%0.83549%0.494SS*.  trans-58.3148.2176.5-67.1173.2174.21790109.4N119K117-N119 PolarHBondContact O-N 3.43Å
118Q44.1Very low58.9Low186 Ų18690.5 Ų90.587%0.86947%0.465SS*.SBendtrans-54.829.6176.9-98176.7-20.800116.9D120Q118-D120 PolarHBondContact O-N 2.97Å
119N50.2Low62Low145 Ų14585.3 Ų85.378%0.77545%0.447SS*.  trans-88.588.2157.8-99.36.8000106.9K117 H121K117-N119 PolarHBondContact O-N 3.43Å; N119-H121 PolarHBondContact O-N 3.32Å
120D76.1Confident64.9Low87 Ų8782 Ų8247%0.46543%0.43SS..  trans-68.39178.4-67.1-12.6000113.1Q118 Q430 P459Q118-D120 PolarHBondContact O-N 2.97Å; D120-Q430 HydrophobicContact CB-CG 4.29Å; D120-Q430 WeakPolarHBondContact O-CA 3.35Å; D120-P459 VanDerWaalsContact O-CG 3.31Å; D120-P459 WeakPolarHBondContact O-CG 3.35Å
121H89.3Confident67.8Low67 Ų6780.4 Ų80.431%0.3142%0.422SS..  trans-94.5115.6177.6-172.380.8000110.8N119 I123 S318 C429N119-H121 PolarHBondContact O-N 3.32Å; H121-I123 WeakPolarHBondContact NE2-CG2 3.3Å; H121-S318 PolarHBondContact CE1-OG 2.85Å; H121-S318 PolarHBondContact NE2-OG 3.15Å; H121-C429 CarbonylContact C-O 3.49Å; H121-C429 WeakPolarHBondContact CA-O 3.46Å
122C94.8Very high71.2Confident11 Ų1177.6 Ų77.67%0.07440%0.401CS..  trans-122.7127.3-177.2-177.10000110.8I124 L128 C429 P459C122-I124 PolarHBondContact SG-O 3.28Å; C122-L128 HydrophobicContact CB-CD2 4.04Å; C122-C429 PolarHBondContact N-O 2.93Å; C122-C429 WeakPolarHBondContact O-CA 3.22Å; C122-C429 WeakPolarHBondContact O-CB 3.48Å; C122-P459 HydrophobicContact CB-CB 4.42Å; C122-P459 HydrophobicContact CB-CG 3.76Å
123I96.4Very high74.2Confident59 Ų5971.3 Ų71.330%0.30338%0.375SS..  trans-112.9-3172.959.5173.2000112.8H121 S311 L314H121-I123 WeakPolarHBondContact NE2-CG2 3.3Å; I123-S311 WeakPolarHBondContact O-CA 3.44Å; I123-L314 HydrophobicContact CB-CB 4.36Å
124I95.7Very high77Confident75 Ų7569.5 Ų69.539%0.38537%0.367SS..  trans-96.5111.5-178.4-57.8175.4000108.2C122 S126 E127C122-I124 PolarHBondContact SG-O 3.28Å; I124-S126 VanDerWaalsContact CG2-OG 3.27Å; I124-S126 WeakPolarHBondContact CG2-OG 3.44Å; I124-S126 PolarHBondContact O-N 2.98Å; I124-E127 HydrophobicContact CB-CB 4.43Å; I124-E127 HydrophobicContact CB-CG 4.02Å; I124-E127 HydrophobicContact CG2-CG 3.95Å; I124-E127 WeakPolarHBondContact O-CB 3.41Å; I124-E127 PolarHBondContact O-N 2.78Å
125A95.2Very high80.1Confident5 Ų566 Ų664%0.04134%0.342CS..G310 helixtrans-62.7-28.6-173.900000113.6E127 L128 L307 H310 S311 L314A125-E127 PolarHBondContact O-N 3.46Å; A125-L128 PolarHBondContact O-N 2.8Å; A125-L307 HydrophobicContact CB-CD2 4.03Å; A125-L307 WeakPolarHBondContact CB-O 3.08Å; A125-H310 HydrophobicContact CB-CB 3.52Å; A125-S311 WeakPolarHBondContact CB-OG 3.2Å; A125-S311 PolarHBondContact N-OG 2.81Å; A125-L314 HydrophobicContact CB-CD1 4.07Å
126S93.9Very high83.4Confident64 Ų6459.7 Ų59.745%0.44830%0.304SS..G310 helixtrans-70.2-13.3176.559.50000113.8I124I124-S126 VanDerWaalsContact CG2-OG 3.27Å; I124-S126 WeakPolarHBondContact CG2-OG 3.44Å; I124-S126 PolarHBondContact O-N 2.98Å
127E93.9Very high86.1Confident83 Ų8355.6 Ų55.639%0.38828%0.283SS..G310 helixtrans-94.4-11.3176.1-63.3-178.8164.100112.5I124 A125I124-E127 HydrophobicContact CB-CB 4.43Å; I124-E127 HydrophobicContact CB-CG 4.02Å; I124-E127 HydrophobicContact CG2-CG 3.95Å; I124-E127 WeakPolarHBondContact O-CB 3.41Å; I124-E127 PolarHBondContact O-N 2.78Å; A125-E127 PolarHBondContact O-N 3.46Å
128L95.7Very high88.9Confident2 Ų247 Ų471%0.0125%0.246CC..  trans-72.7149.5173.7-57.4-176.4000110.9C122 A125 G294 L314 F427 F457 S458 P459C122-L128 HydrophobicContact CB-CD2 4.04Å; A125-L128 PolarHBondContact O-N 2.8Å; L128-G294 WeakPolarHBondContact O-CA 3.4Å; L128-G294 PolarHBondContact O-N 3.23Å; L128-L314 HydrophobicContact CD1-CD1 3.68Å; L128-L314 HydrophobicContact CD1-CD2 4.45Å; L128-L314 HydrophobicContact CG-CD1 4.42Å; L128-F427 HydrophobicContact CD1-CB 4.45Å; L128-F427 HydrophobicContact CD1-CD1 4.05Å; L128-F457 HydrophobicContact CB-CB 4.27Å; L128-F457 HydrophobicContact CD1-CB 4.16Å; L128-S458 WeakPolarHBondContact CA-O 3.48Å; L128-P459 HydrophobicContact CD2-CG 4.35Å
129V95.4Very high90.9Very high15 Ų1539.8 Ų39.89%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-114.3153170.7-58.50000110.2I131 F457 S458 P460V129-I131 HydrophobicContact CG2-CD1 4.24Å; V129-F457 VanDerWaalsContact O-CA 3.28Å; V129-F457 WeakPolarHBondContact O-CA 3.43Å; V129-S458 WeakPolarHBondContact CG2-O 3.29Å; V129-S458 PolarHBondContact N-O 3.25Å; V129-S458 PolarHBondContact O-N 2.83Å; V129-P460 HydrophobicContact CG1-CB 4.12Å; V129-P460 HydrophobicContact CG2-CB 4.31Å
130A96.8Very high92.7Very high9 Ų934.9 Ų34.97%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-69.6130.316800000109.7L132 L290 V293 F457A130-L132 HydrophobicContact CB-CD2 4.04Å; A130-L132 HydrophobicContact CB-CG 4.18Å; A130-L290 HydrophobicContact CB-CB 4.17Å; A130-L290 HydrophobicContact CB-CD2 4.22Å; A130-L290 WeakPolarHBondContact CB-O 3.48Å; A130-V293 HydrophobicContact CB-CB 4.29Å; A130-F457 HydrophobicContact CB-CD1 3.99Å; A130-F457 HydrophobicContact CB-CE1 3.84Å
131I96Very high93.4Very high9 Ų931 Ų315%0.04617%0.167CC..EExtended strand (participates in β ladder)trans-85.8112.4170.6-53.3-58.3000107.8V129 F438 T439 H445 V456V129-I131 HydrophobicContact CG2-CD1 4.24Å; I131-F438 WeakPolarHBondContact CG2-O 3.43Å; I131-T439 HydrophobicContact CD1-CG2 4.12Å; I131-T439 HydrophobicContact CG1-CG2 4.17Å; I131-H445 PolarHBondContact O-NE2 3.48Å; I131-V456 HydrophobicContact CB-CB 4.34Å; I131-V456 HydrophobicContact CB-CG1 4.41Å; I131-V456 HydrophobicContact CG1-CG1 4.17Å; I131-V456 PolarHBondContact N-O 3.09Å
132L95.8Very high93.5Very high14 Ų1428 Ų287%0.07315%0.153CC..  trans-107-178.5-171.3-63.3177.3000110.9A130 V136 E137 L287 L290 V291 R443A130-L132 HydrophobicContact CB-CD2 4.04Å; A130-L132 HydrophobicContact CB-CG 4.18Å; L132-V136 HydrophobicContact CB-CB 4.09Å; L132-V136 HydrophobicContact CB-CG1 4.18Å; L132-V136 HydrophobicContact CD1-CG1 3.74Å; L132-E137 HydrophobicContact CB-CG 4.18Å; L132-E137 PolarHBondContact N-OE1 3.23Å; L132-L287 HydrophobicContact CD1-CD1 4.46Å; L132-L287 HydrophobicContact CD2-CD1 4.18Å; L132-L290 HydrophobicContact CD2-CB 3.99Å; L132-L290 HydrophobicContact CD2-CD1 4.19Å; L132-V291 HydrophobicContact CD1-CB 4.43Å; L132-V291 HydrophobicContact CD1-CG2 3.57Å; L132-R443 WeakPolarHBondContact O-CD 3.43Å; L132-R443 PolarHBondContact O-NH1 2.81Å
133P94.4Very high93.4Very high32 Ų3227.9 Ų27.921%0.20815%0.151CC..  trans-61.7148.8165.3-21.932.2000111.5E135 V136 E137 V446P133-E135 HydrophobicContact CB-CG 4.07Å; P133-E135 PolarHBondContact O-N 3.49Å; P133-V136 HydrophobicContact CB-CG2 4.07Å; P133-V136 HydrophobicContact CG-CG2 4.03Å; P133-V136 WeakPolarHBondContact O-CB 3.4Å; P133-V136 PolarHBondContact O-N 3.47Å; P133-E137 PolarHBondContact O-N 2.87Å; P133-V446 HydrophobicContact CB-CG2 4.48Å; P133-V446 HydrophobicContact CG-CB 4.03Å; P133-V446 HydrophobicContact CG-CG1 4.2Å; P133-V446 HydrophobicContact CG-CG2 4.28Å
134H92.7Very high93.3Very high30 Ų3025 Ų2514%0.13914%0.137CC..Hα-helixtrans-57.7-36.1-178-76.1-78.4000112.7G13 C15 V136 E137 C138 A441 R443G13-H134 PolarHBondContact O-CE1 3.06Å; G13-H134 PolarHBondContact O-ND1 2.89Å; C15-H134 HydrophobicContact CB-CB 4.44Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.37Å; H134-E137 PolarHBondContact O-N 3.44Å; H134-C138 WeakPolarHBondContact O-CB 3.44Å; H134-C138 PolarHBondContact O-N 3.31Å; H134-A441 PolarHBondContact NE2-O 3.43Å; H134-R443 VanDerWaalsContact CE1-CZ 3.44Å; H134-R443 PolarHBondContact CE1-NE 2.94Å; H134-R443 PolarHBondContact ND1-NH2 2.88Å; H134-R443 PolarHBondContact NE2-NE 3.45Å; H134-R443 VanDerWaalsContact NE2-NE 3.19Å
135E93Very high93.2Very high20 Ų2021.5 Ų21.59%0.09312%0.118CC..Hα-helixtrans-66.8-26175.756.1-92.3-13700113.7K16 P133 I243 H247K16-E135 IonicContact NZ-OE1 3.51Å; P133-E135 HydrophobicContact CB-CG 4.07Å; P133-E135 PolarHBondContact O-N 3.49Å; E135-I243 HydrophobicContact CB-CD1 3.92Å; E135-I243 HydrophobicContact CG-CD1 3.78Å; E135-H247 PolarHBondContact O-CE1 3.05Å
136V94.6Very high93.2Very high11 Ų1121.2 Ų21.27%0.06712%0.116CC..Hα-helixtrans-78.7-39.1175.4-178.70000110.9L132 P133 H134 C138 I243 T244 H247 L287 V291L132-V136 HydrophobicContact CB-CB 4.09Å; L132-V136 HydrophobicContact CB-CG1 4.18Å; L132-V136 HydrophobicContact CD1-CG1 3.74Å; P133-V136 HydrophobicContact CB-CG2 4.07Å; P133-V136 HydrophobicContact CG-CG2 4.03Å; P133-V136 WeakPolarHBondContact O-CB 3.4Å; P133-V136 PolarHBondContact O-N 3.47Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.37Å; V136-C138 VanDerWaalsContact C-N 3.32Å; V136-I243 HydrophobicContact CG2-CD1 4.21Å; V136-I243 HydrophobicContact CG2-CG2 4.04Å; V136-T244 HydrophobicContact CG1-CG2 4.05Å; V136-H247 PolarHBondContact O-CE1 3.29Å; V136-H247 VanDerWaalsContact O-CE1 3.26Å; V136-L287 HydrophobicContact CG1-CD1 4.11Å; V136-L287 HydrophobicContact CG1-CD2 4.3Å; V136-L287 HydrophobicContact CG1-CG 4.35Å; V136-L287 HydrophobicContact CG2-CD2 4.21Å; V136-V291 HydrophobicContact CG1-CG2 3.89Å
137E91.7Very high93.3Very high51 Ų5118.2 Ų18.224%0.23810%0.095CC..Hα-helixtrans-79.2-15.9177.6-75172.6-154.400113.5L132 P133 H134 C139 R443L132-E137 HydrophobicContact CB-CG 4.18Å; L132-E137 PolarHBondContact N-OE1 3.23Å; P133-E137 PolarHBondContact O-N 2.87Å; H134-E137 PolarHBondContact O-N 3.44Å; E137-C139 PolarHBondContact O-N 2.85Å; E137-C139 PolarHBondContact O-SG 3.04Å; E137-C139 VanDerWaalsContact O-SG 3.39Å; E137-R443 IonicContact OE1-CZ 2.77Å; E137-R443 IonicContact OE1-NH1 3.3Å; E137-R443 PolarHBondContact OE1-NH1 3.34Å; E137-R443 IonicContact OE1-NH2 3.91Å; E137-R443 IonicContact OE2-CZ 3.76Å; E137-R443 VanDerWaalsContact OE2-CZ 3.3Å; E137-R443 IonicContact OE2-NH1 2.96Å; E137-R443 PolarHBondContact OE2-NH1 3.04Å; E137-R443 IonicContact OE2-NH2 3.84Å; E137-R443 PolarHBondContact OE2-NH2 3.49Å
138C91Very high93.4Very high11 Ų1114.2 Ų14.27%0.0748%0.077CC..  trans-61.4121.2-174.3-164.80000111.5C15 H134 V136 R140 H142 H247C15-C138 HydrophobicContact CB-CB 4.14Å; C15-C138 VanDerWaalsContact SG-CB 3.6Å; C15-C138 VanDerWaalsContact SG-SG 3.62Å; H134-C138 WeakPolarHBondContact O-CB 3.44Å; H134-C138 PolarHBondContact O-N 3.31Å; V136-C138 VanDerWaalsContact C-N 3.32Å; C138-R140 VanDerWaalsContact C-N 3.28Å; C138-R140 PolarHBondContact O-N 2.82Å; C138-H142 PolarHBondContact SG-NE2 2.77Å; C138-H142 VanDerWaalsContact SG-NE2 3.38Å; C138-H247 PolarHBondContact O-NE2 3.14Å
139C87Confident93.2Very high36 Ų3614.1 Ų14.124%0.2438%0.076CC..  trans-94.625.4177.8-62.50000112.4E137 K246E137-C139 PolarHBondContact O-N 2.85Å; E137-C139 PolarHBondContact O-SG 3.04Å; E137-C139 VanDerWaalsContact O-SG 3.39Å; C139-K246 PolarHBondContact SG-NZ 2.79Å; C139-K246 VanDerWaalsContact SG-NZ 3.42Å
140R88.5Confident93Very high42 Ų4214.2 Ų14.216%0.1588%0.078CC..  trans-105.5145.9179.1-62.8-169.8-175.21012.3111.1N11 I12 C138 H142N11-R140 PolarHBondContact O-NH1 3.31Å; N11-R140 VanDerWaalsContact O-NH1 3.07Å; N11-R140 PolarHBondContact O-NH2 3.37Å; I12-R140 PolarHBondContact O-NH1 2.91Å; C138-R140 VanDerWaalsContact C-N 3.28Å; C138-R140 PolarHBondContact O-N 2.82Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-CE1 3.06Å; R140-H142 PolarHBondContact O-N 2.89Å; R140-H142 PolarHBondContact O-ND1 3.13Å; R140-H142 VanDerWaalsContact O-ND1 3.14Å
141P88.9Confident92.7Very high5 Ų513.8 Ų13.83%0.0328%0.075CC..  trans-79.8-3.5-177.628.9-33.4000114.8L143 P238 L250 Y251 F253P141-L143 VanDerWaalsContact C-N 3.31Å; P141-L143 HydrophobicContact CB-CD1 4.22Å; P141-L143 HydrophobicContact CB-CD2 3.85Å; P141-L143 HydrophobicContact CB-CG 3.75Å; P141-L143 HydrophobicContact CG-CD1 3.77Å; P141-L143 HydrophobicContact CG-CD2 4.31Å; P141-L143 HydrophobicContact CG-CG 3.68Å; P141-L143 PolarHBondContact O-N 2.8Å; P141-P238 WeakPolarHBondContact O-CB 3.35Å; P141-L250 HydrophobicContact CB-CG 4.38Å; P141-Y251 HydrophobicContact CB-CD1 4.32Å; P141-Y251 WeakPolarHBondContact O-CE1 3.17Å; P141-F253 HydrophobicContact CB-CE2 3.7Å; P141-F253 HydrophobicContact CB-CZ 3.84Å; P141-F253 HydrophobicContact CG-CE2 4.26Å; P141-F253 HydrophobicContact CG-CZ 3.86Å
142H91.5Very high92.2Very high5 Ų519 Ų192%0.02310%0.095CC..  trans54.943.3176.1-53.5115.7000113.5C15 N17 C18 S21 C138 R140 L239 Y251C15-H142 PolarHBondContact SG-NE2 3.07Å; C15-H142 VanDerWaalsContact SG-NE2 3.35Å; N17-H142 VanDerWaalsContact C-CD2 3.46Å; C18-H142 PolarHBondContact N-CD2 2.91Å; C18-H142 VanDerWaalsContact N-CD2 3.3Å; C18-H142 PolarHBondContact SG-CD2 3.21Å; C18-H142 PolarHBondContact SG-NE2 3.27Å; C18-H142 VanDerWaalsContact SG-NE2 3.35Å; S21-H142 WeakPolarHBondContact OG-CA 3.16Å; S21-H142 WeakPolarHBondContact OG-CB 3.41Å; S21-H142 PolarHBondContact OG-O 2.85Å; C138-H142 PolarHBondContact SG-NE2 2.77Å; C138-H142 VanDerWaalsContact SG-NE2 3.38Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-CE1 3.06Å; R140-H142 PolarHBondContact O-N 2.89Å; R140-H142 PolarHBondContact O-ND1 3.13Å; R140-H142 VanDerWaalsContact O-ND1 3.14Å; H142-L239 PolarHBondContact O-N 2.99Å; H142-Y251 AromaticContact ND1-CZ 3.89Å; H142-Y251 PolarHBondContact ND1-OH 3.26Å
143L92.6Very high91.5Very high7 Ų720.3 Ų20.34%0.03711%0.105CC..EExtended strand (participates in β ladder)trans-75.5145.5-168.1-62.1174000113.5P141 W236 I237 F253P141-L143 VanDerWaalsContact C-N 3.31Å; P141-L143 HydrophobicContact CB-CD1 4.22Å; P141-L143 HydrophobicContact CB-CD2 3.85Å; P141-L143 HydrophobicContact CB-CG 3.75Å; P141-L143 HydrophobicContact CG-CD1 3.77Å; P141-L143 HydrophobicContact CG-CD2 4.31Å; P141-L143 HydrophobicContact CG-CG 3.68Å; P141-L143 PolarHBondContact O-N 2.8Å; L143-W236 HydrophobicContact CB-CB 4.17Å; L143-W236 HydrophobicContact CB-CE3 3.95Å; L143-W236 HydrophobicContact CD1-CB 4.07Å; L143-W236 HydrophobicContact CD2-CB 4.46Å; L143-W236 HydrophobicContact CG-CB 4.44Å; L143-I237 CarbonylContact C-O 2.93Å; L143-I237 VanDerWaalsContact CA-O 3.25Å; L143-I237 WeakPolarHBondContact CA-O 3.45Å; L143-F253 HydrophobicContact CD1-CZ 4.03Å; L143-F253 HydrophobicContact CD2-CE2 4.31Å
144V94.6Very high90.9Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-134.7148.8169.8-70.10000109.8H24 I197 W236 I237 L239H24-V144 HydrophobicContact CB-CG1 4.02Å; V144-I197 HydrophobicContact CB-CD1 4.21Å; V144-I197 HydrophobicContact CG2-CD1 3.58Å; V144-I197 HydrophobicContact CG2-CG1 4.35Å; V144-W236 CarbonylContact O-C 3.46Å; V144-W236 WeakPolarHBondContact O-CA 3.1Å; V144-I237 HydrophobicContact CG2-CG1 3.99Å; V144-I237 WeakPolarHBondContact CG2-O 3.42Å; V144-I237 PolarHBondContact N-O 3.26Å; V144-I237 PolarHBondContact O-N 3.22Å; V144-L239 HydrophobicContact CG1-CB 3.9Å; V144-L239 HydrophobicContact CG1-CD1 4.37Å; V144-L239 HydrophobicContact CG1-CD2 4.12Å; V144-L239 HydrophobicContact CG1-CG 4.35Å; V144-L239 HydrophobicContact CG2-CB 3.89Å; V144-L239 HydrophobicContact CG2-CD1 4.12Å
145P95Very high90.3Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-74.6147.8-176.829.5-34.2000112.2L25 Y29 F89 I197 A198 C235 W236L25-P145 HydrophobicContact CD1-CG 4.41Å; Y29-P145 HydrophobicContact CD1-CG 3.82Å; Y29-P145 HydrophobicContact CD2-CB 4.15Å; Y29-P145 HydrophobicContact CD2-CG 3.22Å; Y29-P145 HydrophobicContact CE1-CG 4.05Å; Y29-P145 HydrophobicContact CE2-CB 3.94Å; Y29-P145 HydrophobicContact CE2-CG 3.46Å; Y29-P145 VanDerWaalsContact CE2-CG 3.46Å; Y29-P145 HydrophobicContact CG-CG 3.39Å; F89-P145 HydrophobicContact CD1-CB 3.58Å; F89-P145 HydrophobicContact CD2-CB 4.22Å; F89-P145 HydrophobicContact CE1-CB 3.63Å; F89-P145 HydrophobicContact CE2-CB 4.25Å; F89-P145 HydrophobicContact CG-CB 3.9Å; F89-P145 HydrophobicContact CZ-CB 3.98Å; P145-I197 VanDerWaalsContact O-CG1 3.25Å; P145-I197 WeakPolarHBondContact O-CG1 3.19Å; P145-A198 HydrophobicContact CB-CB 4.17Å; P145-A198 HydrophobicContact CG-CB 4.32Å; P145-A198 PolarHBondContact O-N 3.13Å; P145-C235 CarbonylContact C-O 3.57Å; P145-C235 WeakPolarHBondContact CA-O 3.41Å; P145-W236 HydrophobicContact CB-CD2 4.4Å; P145-W236 HydrophobicContact CB-CE3 4.41Å; P145-W236 HydrophobicContact CB-CH2 4.4Å; P145-W236 HydrophobicContact CB-CZ2 4.38Å; P145-W236 HydrophobicContact CB-CZ3 4.41Å; P145-W236 HydrophobicContact CG-CH2 4.48Å; P145-W236 HydrophobicContact CG-CZ3 4.41Å
146G95.3Very high89.9Confident0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-162.1174177.100000113F89 Q196 C235F89-G146 WeakPolarHBondContact CE1-O 3.38Å; F89-G146 WeakPolarHBondContact CZ-O 3.38Å; G146-Q196 CarbonylContact C-O 3.17Å; G146-Q196 WeakPolarHBondContact CA-O 3.4Å; G146-C235 PolarHBondContact N-O 3.1Å; G146-C235 PolarHBondContact O-N 3.02Å; G146-C235 VanDerWaalsContact O-O 3.11Å; G146-C235 PolarHBondContact O-SG 2.88Å
147W95.7Very high89.6Confident0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-108.4135.1-177.3-63.4109.9000110.7D85 Y88 F89 F194 L195 Q196 Y202 W204 A207 P232 P234D85-W147 HydrophobicContact CB-CH2 4.39Å; D85-W147 HydrophobicContact CB-CZ2 3.84Å; D85-W147 WeakPolarHBondContact OD2-CZ2 3.48Å; Y88-W147 AromaticContact CD2-CH2 3.72Å; Y88-W147 HydrophobicContact CD2-CH2 3.72Å; Y88-W147 HydrophobicContact CD2-CZ2 4.43Å; Y88-W147 AromaticContact CG-CH2 3.71Å; Y88-W147 HydrophobicContact CG-CH2 3.71Å; Y88-W147 HydrophobicContact CG-CZ3 4.34Å; F89-W147 AromaticContact CE2-CE2 3.85Å; F89-W147 AromaticContact CE2-CH2 3.73Å; F89-W147 HydrophobicContact CE2-CH2 3.73Å; F89-W147 AromaticContact CE2-CZ2 3.41Å; F89-W147 HydrophobicContact CE2-CZ2 3.41Å; F89-W147 VanDerWaalsContact CE2-CZ2 3.41Å; F89-W147 HydrophobicContact CE2-CZ3 4.41Å; F89-W147 AromaticContact CZ-CD2 3.92Å; F89-W147 HydrophobicContact CZ-CD2 3.92Å; F89-W147 AromaticContact CZ-CE2 3.63Å; F89-W147 HydrophobicContact CZ-CE3 4.12Å; F89-W147 AromaticContact CZ-CH2 3.84Å; F89-W147 HydrophobicContact CZ-CH2 3.84Å; F89-W147 AromaticContact CZ-CZ2 3.62Å; F89-W147 HydrophobicContact CZ-CZ2 3.62Å; F89-W147 HydrophobicContact CZ-CZ3 4.08Å; W147-F194 WeakPolarHBondContact O-CD2 3.33Å; W147-L195 HydrophobicContact CB-CB 4.34Å; W147-L195 HydrophobicContact CB-CD1 4.36Å; W147-L195 WeakPolarHBondContact O-CA 3.36Å; W147-L195 WeakPolarHBondContact O-CB 3.17Å; W147-L195 PolarHBondContact O-N 2.92Å; W147-Q196 PolarHBondContact N-O 3.45Å; W147-Q196 PolarHBondContact O-N 3.2Å; W147-Y202 AromaticContact CD1-CD1 3.86Å; W147-Y202 AromaticContact CD1-CE1 3.98Å; W147-W204 HydrophobicContact CH2-CB 3.8Å; W147-W204 AromaticContact CH2-CD1 3.58Å; W147-W204 HydrophobicContact CH2-CG 4.09Å; W147-W204 HydrophobicContact CZ2-CB 3.63Å; W147-W204 HydrophobicContact CZ2-CG 4.36Å; W147-W204 AromaticContact CZ3-CD1 3.73Å; W147-A207 HydrophobicContact CB-CB 4.09Å; W147-A207 HydrophobicContact CD2-CB 4.31Å; W147-A207 HydrophobicContact CG-CB 3.87Å; W147-P232 HydrophobicContact CD2-CB 4.35Å; W147-P232 HydrophobicContact CE3-CB 3.77Å; W147-P232 HydrophobicContact CZ3-CB 4.34Å; W147-P234 HydrophobicContact CE3-CB 4.45Å; W147-P234 HydrophobicContact CZ3-CB 3.95Å
148C94.7Very high89.5Confident0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-129.5175.7168.768.50000111V193 T233 C235 W277C148-V193 CarbonylContact C-O 3.57Å; C148-V193 WeakPolarHBondContact CA-O 3.44Å; C148-V193 VanDerWaalsContact CB-O 3.25Å; C148-V193 WeakPolarHBondContact CB-O 3.25Å; C148-T233 PolarHBondContact N-O 2.9Å; C148-T233 PolarHBondContact O-N 3.43Å; C148-T233 PolarHBondContact SG-O 2.94Å; C148-T233 VanDerWaalsContact SG-O 3.36Å; C148-C235 HydrophobicContact CB-CB 4.46Å; C148-W277 HydrophobicContact CB-CH2 3.45Å; C148-W277 VanDerWaalsContact CB-CH2 3.45Å; C148-W277 HydrophobicContact CB-CZ2 4.48Å; C148-W277 HydrophobicContact CB-CZ3 3.84Å
149V93.1Very high89.5Confident0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-143142.7175.865.40000109.9V151 Y192 V193 L195 L211 I228V149-V151 HydrophobicContact CG1-CG2 4.04Å; V149-Y192 CarbonylContact O-C 3.55Å; V149-Y192 WeakPolarHBondContact O-CA 3.43Å; V149-V193 HydrophobicContact CG1-CB 4.21Å; V149-V193 PolarHBondContact N-O 2.61Å; V149-V193 PolarHBondContact O-N 2.8Å; V149-L195 HydrophobicContact CB-CD1 4.41Å; V149-L195 HydrophobicContact CG1-CD2 3.9Å; V149-L195 HydrophobicContact CG1-CG 4.34Å; V149-L211 HydrophobicContact CB-CD1 4.34Å; V149-L211 HydrophobicContact CB-CD2 3.84Å; V149-L211 HydrophobicContact CG1-CD2 3.81Å; V149-L211 HydrophobicContact CG2-CD1 3.87Å; V149-L211 HydrophobicContact CG2-CD2 3.79Å; V149-I228 HydrophobicContact CG1-CD1 3.95Å; V149-I228 HydrophobicContact CG1-CG1 4.38Å; V149-I228 HydrophobicContact CG2-CD1 3.98Å; V149-I228 HydrophobicContact CG2-CG1 3.64Å
150A90Very high89.7Confident16 Ų1634.4 Ų34.413%0.13218%0.179CC..EExtended strand (participates in β ladder)trans-79.1130173.100000110.3Y192 S229A150-Y192 HydrophobicContact CB-CD1 4.11Å; A150-Y192 HydrophobicContact CB-CE1 3.81Å; A150-S229 PolarHBondContact O-N 3.01Å
151V90.2Very high89.9Confident0 Ų035.2 Ų35.20%019%0.187CC..EExtended strand (participates in β ladder)trans-128.7131.6179-174.80000109V149 S153 L157 I160 S190 T191 V193 I227 I228V149-V151 HydrophobicContact CG1-CG2 4.04Å; V151-S153 PolarHBondContact O-N 3Å; V151-L157 HydrophobicContact CB-CD2 4.05Å; V151-L157 HydrophobicContact CG1-CD2 3.81Å; V151-I160 HydrophobicContact CG1-CD1 3.54Å; V151-I160 HydrophobicContact CG2-CD1 4.2Å; V151-S190 CarbonylContact O-C 2.96Å; V151-S190 VanDerWaalsContact O-CA 3.31Å; V151-S190 WeakPolarHBondContact O-CA 3.45Å; V151-T191 PolarHBondContact N-O 2.97Å; V151-T191 PolarHBondContact O-N 3.17Å; V151-T191 PolarHBondContact O-OG1 2.77Å; V151-V193 HydrophobicContact CB-CG2 4.11Å; V151-V193 HydrophobicContact CG2-CB 4.16Å; V151-V193 HydrophobicContact CG2-CG2 3.6Å; V151-I227 CarbonylContact C-O 3.47Å; V151-I227 WeakPolarHBondContact CA-O 3.43Å; V151-I227 HydrophobicContact CG1-CG2 4.32Å; V151-I228 HydrophobicContact CG2-CB 4.49Å; V151-I228 HydrophobicContact CG2-CD1 3.97Å; V151-I228 HydrophobicContact CG2-CG1 3.96Å
152Y86.9Confident90Very high119 Ų11941.4 Ų41.447%0.46722%0.215SC..EExtended strand (participates in β ladder)trans-59127.7172.3-174.6-97.2000110.4G154 N188 I227Y152-G154 PolarHBondContact O-N 3.24Å; Y152-N188 VanDerWaalsContact CD2-O 3.26Å; Y152-N188 WeakPolarHBondContact CD2-O 3.5Å; Y152-N188 WeakPolarHBondContact CE2-O 3.31Å; Y152-I227 WeakPolarHBondContact CB-O 3.46Å; Y152-I227 PolarHBondContact N-O 2.76Å
153S79.8Confident90.1Very high41 Ų4142.8 Ų42.829%0.28722%0.22SC..SBendtrans-64.5127.7-176.8-59.40000111.2V151 K189 T191V151-S153 PolarHBondContact O-N 3Å; S153-K189 WeakPolarHBondContact CB-O 3.07Å; S153-K189 PolarHBondContact N-O 2.83Å; S153-K189 PolarHBondContact OG-O 3.21Å; S153-T191 VanDerWaalsContact OG-CG2 3.31Å; S153-T191 WeakPolarHBondContact OG-CG2 3.35Å
154G82.1Confident90.2Very high39 Ų3942.4 Ų42.440%0.40222%0.218SC..SBendtrans170-164178.400000113.9Y152 H156 L157Y152-G154 PolarHBondContact O-N 3.24Å; G154-H156 PolarHBondContact O-N 3.06Å; G154-H156 VanDerWaalsContact O-N 3.13Å; G154-L157 PolarHBondContact O-N 2.92Å
155H81Confident90.1Very high178 Ų17847.9 Ų47.982%0.82424%0.244SC*.THydrogen-bonded Turntrans-64-17.1-175.3-64.6-74.3000114.5L157 S158H155-L157 VanDerWaalsContact C-N 3.33Å; H155-S158 PolarHBondContact O-OG 3.48Å; H155-S158 VanDerWaalsContact O-OG 3.1Å
156H83.8Confident90Very high62 Ų6252.5 Ų52.529%0.28728%0.276SS..Hα-helixtrans-74.6-21.4178.5-62.7-87.3000113.3G154 S158 K159 I160 L220 I227G154-H156 PolarHBondContact O-N 3.06Å; G154-H156 VanDerWaalsContact O-N 3.13Å; H156-S158 VanDerWaalsContact C-N 3.26Å; H156-S158 PolarHBondContact O-N 2.86Å; H156-K159 PolarHBondContact O-N 2.78Å; H156-K159 VanDerWaalsContact O-N 3.13Å; H156-I160 HydrophobicContact CB-CD1 4.34Å; H156-I160 WeakPolarHBondContact O-CG1 3.38Å; H156-I160 PolarHBondContact O-N 3.27Å; H156-L220 HydrophobicContact CB-CD2 3.82Å; H156-I227 HydrophobicContact CB-CG2 4.29Å; H156-I227 WeakPolarHBondContact NE2-CD1 3.43Å
157L88.6Confident89.9Confident26 Ų2654.9 Ų54.914%0.13629%0.293CS..Hα-helixtrans-59.2-36.1-178.3-74174.8000112.7V151 G154 H155 N161 I180 V193V151-L157 HydrophobicContact CB-CD2 4.05Å; V151-L157 HydrophobicContact CG1-CD2 3.81Å; G154-L157 PolarHBondContact O-N 2.92Å; H155-L157 VanDerWaalsContact C-N 3.33Å; L157-N161 VanDerWaalsContact O-CB 3.28Å; L157-N161 WeakPolarHBondContact O-CB 3.5Å; L157-N161 PolarHBondContact O-N 2.87Å; L157-I180 HydrophobicContact CB-CD1 4.08Å; L157-I180 HydrophobicContact CD2-CD1 4.5Å; L157-V193 HydrophobicContact CD2-CG2 3.94Å
158S88.8Confident89.7Confident68 Ų6855.7 Ų55.748%0.47630%0.298SS..Hα-helixtrans-67.3-43176.958.90000111.9H155 H156 N161 Q162H155-S158 PolarHBondContact O-OG 3.48Å; H155-S158 VanDerWaalsContact O-OG 3.1Å; H156-S158 VanDerWaalsContact C-N 3.26Å; H156-S158 PolarHBondContact O-N 2.86Å; S158-N161 PolarHBondContact O-N 3.39Å; S158-Q162 WeakPolarHBondContact O-CG 3.49Å; S158-Q162 PolarHBondContact O-N 3.18Å
159K90.7Very high89.5Confident113 Ų11359 Ų5949%0.49132%0.319SS..Hα-helixtrans-64.4-43.6176.1-65-177.3177.9-179.10111.6H156 Q162 Y163 L218H156-K159 PolarHBondContact O-N 2.78Å; H156-K159 VanDerWaalsContact O-N 3.13Å; K159-Q162 PolarHBondContact O-N 2.87Å; K159-Y163 WeakPolarHBondContact O-CB 3.42Å; K159-Y163 PolarHBondContact O-N 3.41Å; K159-L218 HydrophobicContact CB-CD1 4.41Å; K159-L218 HydrophobicContact CB-CD2 4.35Å
160I91.9Very high89.3Confident1 Ų160.8 Ų60.81%0.00533%0.329CS..Hα-helixtrans-60.4-46.8174.9-72165.9000110.4V151 H156 Q162 Y163 L164 V193 M214 L218 L220V151-I160 HydrophobicContact CG1-CD1 3.54Å; V151-I160 HydrophobicContact CG2-CD1 4.2Å; H156-I160 HydrophobicContact CB-CD1 4.34Å; H156-I160 WeakPolarHBondContact O-CG1 3.38Å; H156-I160 PolarHBondContact O-N 3.27Å; I160-Q162 VanDerWaalsContact C-N 3.35Å; I160-Q162 PolarHBondContact O-N 2.86Å; I160-Y163 PolarHBondContact O-N 2.79Å; I160-L164 HydrophobicContact CG2-CD1 3.91Å; I160-L164 HydrophobicContact CG2-CG 4.4Å; I160-L164 WeakPolarHBondContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 3.44Å; I160-V193 HydrophobicContact CG2-CG1 4.01Å; I160-M214 HydrophobicContact CB-SD 4.37Å; I160-M214 HydrophobicContact CG1-SD 4.2Å; I160-M214 HydrophobicContact CG2-SD 3.77Å; I160-L218 HydrophobicContact CG1-CD1 3.88Å; I160-L220 HydrophobicContact CD1-CD1 3.81Å; I160-L220 HydrophobicContact CD1-CD2 4.24Å; I160-L220 HydrophobicContact CG1-CD1 3.83Å; I160-L220 HydrophobicContact CG1-CD2 4.33Å
161N91.8Very high89.2Confident60 Ų6061.8 Ų61.832%0.32133%0.334SS..Hα-helixtrans-62.4-41.6178.3-172.144.6000112L157 S158 Q165 R179 I180L157-N161 VanDerWaalsContact O-CB 3.28Å; L157-N161 WeakPolarHBondContact O-CB 3.5Å; L157-N161 PolarHBondContact O-N 2.87Å; S158-N161 PolarHBondContact O-N 3.39Å; N161-Q165 WeakPolarHBondContact O-CB 3.42Å; N161-Q165 PolarHBondContact O-N 2.97Å; N161-R179 WeakPolarHBondContact OD1-CB 3.24Å; N161-R179 VanDerWaalsContact OD1-CG 3.28Å; N161-R179 WeakPolarHBondContact OD1-CG 3.27Å; N161-I180 HydrophobicContact CB-CD1 4.41Å
162Q92.7Very high89.1Confident135 Ų13564.8 Ų64.863%0.63137%0.365SS*.Hα-helixtrans-63.2-45.4174.9-75.4174.4-1100112.1S158 K159 I160 Q165 S166S158-Q162 WeakPolarHBondContact O-CG 3.49Å; S158-Q162 PolarHBondContact O-N 3.18Å; K159-Q162 PolarHBondContact O-N 2.87Å; I160-Q162 VanDerWaalsContact C-N 3.35Å; I160-Q162 PolarHBondContact O-N 2.86Å; Q162-Q165 PolarHBondContact O-N 3.48Å; Q162-S166 PolarHBondContact O-N 3.19Å; Q162-S166 PolarHBondContact O-OG 3.19Å
163Y93.8Very high89.2Confident33 Ų3363.2 Ų63.213%0.12936%0.361CS..Hα-helixtrans-60.4-48.7176.1173.5-93000111.8K159 I160 Q165 S166 S167 S213 M214 L217 L218K159-Y163 WeakPolarHBondContact O-CB 3.42Å; K159-Y163 PolarHBondContact O-N 3.41Å; I160-Y163 PolarHBondContact O-N 2.79Å; Y163-Q165 VanDerWaalsContact C-N 3.26Å; Y163-Q165 PolarHBondContact O-N 2.97Å; Y163-S166 PolarHBondContact O-N 3.22Å; Y163-S166 PolarHBondContact O-OG 2.96Å; Y163-S167 WeakPolarHBondContact CD1-OG 3.14Å; Y163-S167 WeakPolarHBondContact CE1-OG 3.32Å; Y163-S167 WeakPolarHBondContact O-CB 3.37Å; Y163-S167 PolarHBondContact O-N 3.31Å; Y163-S167 PolarHBondContact O-OG 2.95Å; Y163-S213 WeakPolarHBondContact OH-CB 3.47Å; Y163-M214 HydrophobicContact CD1-CB 3.91Å; Y163-M214 HydrophobicContact CD1-CG 3.53Å; Y163-M214 HydrophobicContact CD1-SD 3.71Å; Y163-M214 HydrophobicContact CE1-CB 3.49Å; Y163-M214 VanDerWaalsContact CE1-CB 3.49Å; Y163-M214 HydrophobicContact CE1-CG 3.69Å; Y163-M214 HydrophobicContact CE1-SD 4.14Å; Y163-M214 HydrophobicContact CG-CG 4.19Å; Y163-L217 HydrophobicContact CD2-CD2 3.7Å; Y163-L217 HydrophobicContact CE2-CD2 3.5Å; Y163-L217 VanDerWaalsContact CE2-CD2 3.5Å; Y163-L218 HydrophobicContact CG-CD1 4.33Å
164L94.1Very high89.8Confident0 Ų061.2 Ų61.20%035%0.348CS..Hα-helixtrans-66.1-31.2179.5-69.2175.1000111.6I160 S166 V168 R179 V193 L195 T210 M214I160-L164 HydrophobicContact CG2-CD1 3.91Å; I160-L164 HydrophobicContact CG2-CG 4.4Å; I160-L164 WeakPolarHBondContact O-CB 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 3.44Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 3.42Å; L164-V168 CarbonylContact O-C 3.52Å; L164-V168 WeakPolarHBondContact O-CA 3.25Å; L164-V168 PolarHBondContact O-N 3.33Å; L164-R179 HydrophobicContact CD1-CG 4.37Å; L164-R179 PolarHBondContact O-NH2 3.41Å; L164-V193 HydrophobicContact CD1-CG1 3.49Å; L164-V193 VanDerWaalsContact CD1-CG1 3.49Å; L164-L195 HydrophobicContact CD1-CD2 4.15Å; L164-L195 HydrophobicContact CD2-CD2 4Å; L164-T210 HydrophobicContact CD2-CG2 4.34Å; L164-M214 HydrophobicContact CD2-SD 4.12Å; L164-M214 HydrophobicContact CG-SD 4.16Å
165Q92.3Very high90.3Very high115 Ų11564.1 Ų64.154%0.53736%0.362SS..Hα-helixtrans-66.9-32.2175.8-170.161.227.500112.7N161 Q162 Y163N161-Q165 WeakPolarHBondContact O-CB 3.42Å; N161-Q165 PolarHBondContact O-N 2.97Å; Q162-Q165 PolarHBondContact O-N 3.48Å; Y163-Q165 VanDerWaalsContact C-N 3.26Å; Y163-Q165 PolarHBondContact O-N 2.97Å
166S92.6Very high90.9Very high97 Ų9756.1 Ų56.168%0.67833%0.325SS*.Hα-helixtrans-88.5-41.8178.660.80000113.5Q162 Y163 L164Q162-S166 PolarHBondContact O-N 3.19Å; Q162-S166 PolarHBondContact O-OG 3.19Å; Y163-S166 PolarHBondContact O-N 3.22Å; Y163-S166 PolarHBondContact O-OG 2.96Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 3.42Å
167S92.3Very high91.5Very high50 Ų5053.6 Ų53.635%0.3531%0.313SS..Hα-helixtrans-86.7-42.3-174.558.30000113.6Y163Y163-S167 WeakPolarHBondContact CD1-OG 3.14Å; Y163-S167 WeakPolarHBondContact CE1-OG 3.32Å; Y163-S167 WeakPolarHBondContact O-CB 3.37Å; Y163-S167 PolarHBondContact O-N 3.31Å; Y163-S167 PolarHBondContact O-OG 2.95Å
168V91.6Very high91.7Very high16 Ų1656.5 Ų56.510%0.09733%0.325CS..SBendtrans-133.267-175.3-169.30000109.6L164 R179 Q196 Y202 T210L164-V168 CarbonylContact O-C 3.52Å; L164-V168 WeakPolarHBondContact O-CA 3.25Å; L164-V168 PolarHBondContact O-N 3.33Å; V168-R179 PolarHBondContact O-NH1 3.35Å; V168-R179 PolarHBondContact O-NH2 3.46Å; V168-Q196 HydrophobicContact CG1-CB 3.96Å; V168-Q196 HydrophobicContact CG1-CG 4.25Å; V168-Y202 HydrophobicContact CG1-CE2 4.08Å; V168-T210 HydrophobicContact CG2-CG2 3.75Å
169P91.5Very high91.9Very high70 Ų7053.9 Ų53.946%0.45531%0.305SS..PPolyproline II helixtrans-60.3145.6-177.125.4-34.3000111.5Q196P169-Q196 PolarHBondContact O-NE2 2.9Å
170L89Confident92Very high37 Ų3750.6 Ų50.619%0.19429%0.292CS..PPolyproline II helixtrans-67.8137173.9-69176.2000110.1R179 F194L170-R179 VanDerWaalsContact CD2-NH1 3.26Å; L170-R179 VanDerWaalsContact CG-CZ 3.46Å; L170-F194 HydrophobicContact CD2-CD1 3.56Å; L170-F194 HydrophobicContact CD2-CE1 3.59Å
171P88.2Confident91.9Very high37 Ų3750.6 Ų50.624%0.2429%0.292CS..PPolyproline II helixtrans-53.1144.2167.4-24.634000110.9E173 L174 Q196P171-E173 HydrophobicContact CB-CG 4Å; P171-E173 PolarHBondContact O-N 2.72Å; P171-E173 VanDerWaalsContact O-N 3.12Å; P171-L174 HydrophobicContact CG-CD1 4.46Å; P171-L174 PolarHBondContact O-N 3.31Å; P171-Q196 VanDerWaalsContact CD-OE1 3.22Å
172G86.8Confident91.3Very high63 Ų6351.7 Ų51.765%0.64930%0.304SS*.G310 helixtrans-57.6-30.4-178.800000114L174 S175G172-L174 PolarHBondContact O-N 3.31Å; G172-S175 WeakPolarHBondContact O-CB 2.92Å; G172-S175 PolarHBondContact O-N 2.84Å; G172-S175 PolarHBondContact O-OG 3.31Å
173E89.8Confident90.4Very high86 Ų8648.2 Ų48.240%0.40229%0.294SS..G310 helixtrans-63.9-20.817565.6-172.1160.100113.6K28 P171 H176K28-E173 IonicContact NZ-OE1 2.86Å; K28-E173 PolarHBondContact NZ-OE1 2.85Å; K28-E173 IonicContact NZ-OE2 3.27Å; K28-E173 PolarHBondContact NZ-OE2 3.06Å; P171-E173 HydrophobicContact CB-CG 4Å; P171-E173 PolarHBondContact O-N 2.72Å; P171-E173 VanDerWaalsContact O-N 3.12Å; E173-H176 PolarHBondContact O-CE1 2.98Å; E173-H176 VanDerWaalsContact O-CE1 3.23Å; E173-H176 PolarHBondContact O-ND1 2.8Å
174L93.2Very high89.7Confident0 Ų048.6 Ų48.60%030%0.295CS..G310 helixtrans-105.218.8178.1-60-177.4000113.3P171 G172 H176 I177 F194 I197 I237 L239P171-L174 HydrophobicContact CG-CD1 4.46Å; P171-L174 PolarHBondContact O-N 3.31Å; G172-L174 PolarHBondContact O-N 3.31Å; L174-H176 PolarHBondContact O-N 3.33Å; L174-H176 VanDerWaalsContact O-N 3.09Å; L174-I177 HydrophobicContact CB-CB 4.4Å; L174-I177 HydrophobicContact CB-CG1 4.03Å; L174-I177 HydrophobicContact CD2-CG1 4.12Å; L174-I177 VanDerWaalsContact O-CB 3.31Å; L174-I177 WeakPolarHBondContact O-CB 3.46Å; L174-I177 PolarHBondContact O-N 3.22Å; L174-F194 HydrophobicContact CD1-CE1 4.21Å; L174-I197 HydrophobicContact CD1-CB 4.24Å; L174-I197 HydrophobicContact CD1-CD1 4.12Å; L174-I237 HydrophobicContact CD1-CD1 3.92Å; L174-I237 HydrophobicContact CD2-CD1 4.26Å; L174-L239 HydrophobicContact CD2-CD1 4.19Å
175S91.5Very high88.6Confident99 Ų9953.7 Ų53.769%0.69233%0.331SS*.THydrogen-bonded Turntrans-61.1-18.2178.356.10000114.2G172G172-S175 WeakPolarHBondContact O-CB 2.92Å; G172-S175 PolarHBondContact O-N 2.84Å; G172-S175 PolarHBondContact O-OG 3.31Å
176H94.6Very high87.4Confident11 Ų1152.5 Ų52.55%0.05132%0.322CS..THydrogen-bonded Turntrans-77.7-20171.961.1-72.9000113.4E173 L174 P238 L239 R240 A241 S279 T280E173-H176 PolarHBondContact O-CE1 2.98Å; E173-H176 VanDerWaalsContact O-CE1 3.23Å; E173-H176 PolarHBondContact O-ND1 2.8Å; L174-H176 PolarHBondContact O-N 3.33Å; L174-H176 VanDerWaalsContact O-N 3.09Å; H176-P238 PolarHBondContact NE2-O 3.12Å; H176-L239 PolarHBondContact CE1-O 3.45Å; H176-R240 VanDerWaalsContact NE2-C 3.28Å; H176-R240 PolarHBondContact NE2-O 2.89Å; H176-A241 HydrophobicContact CB-CB 3.62Å; H176-A241 VanDerWaalsContact CD2-CA 3.48Å; H176-A241 WeakPolarHBondContact CD2-CA 3.41Å; H176-A241 VanDerWaalsContact CG-CA 3.48Å; H176-S279 CarbonylContact O-C 3.53Å; H176-S279 WeakPolarHBondContact O-CA 3.28Å; H176-S279 WeakPolarHBondContact O-CB 3.43Å; H176-T280 PolarHBondContact O-N 2.78Å
177I95.2Very high86.2Confident9 Ų954.4 Ų54.45%0.04632%0.32CS..BIsolated β-bridgetrans-75.4127.9-177.7-63.9-61.4000109.6L174 F194 I237 P238 W277L174-I177 HydrophobicContact CB-CB 4.4Å; L174-I177 HydrophobicContact CB-CG1 4.03Å; L174-I177 HydrophobicContact CD2-CG1 4.12Å; L174-I177 VanDerWaalsContact O-CB 3.31Å; L174-I177 WeakPolarHBondContact O-CB 3.46Å; L174-I177 PolarHBondContact O-N 3.22Å; I177-F194 HydrophobicContact CG2-CD1 4.07Å; I177-I237 HydrophobicContact CD1-CD1 4.39Å; I177-I237 HydrophobicContact CG1-CD1 4.22Å; I177-P238 HydrophobicContact CD1-CG 3.8Å; I177-W277 HydrophobicContact CD1-CB 4.37Å; I177-W277 HydrophobicContact CG2-CG 4.27Å
178K93.6Very high85.1Confident86 Ų8658.8 Ų58.837%0.37434%0.34SS..  trans-77.2130.2171.7-62.2-169.2-175.7179.40109.4I180 W277 P278K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 2.78Å; K178-W277 PolarHBondContact O-NE1 3.1Å; K178-P278 HydrophobicContact CB-CG 4.37Å; K178-P278 HydrophobicContact CD-CB 4.24Å; K178-P278 PolarHBondContact N-O 2.77Å; K178-P278 VanDerWaalsContact N-O 3.09Å
179R93.4Very high84.4Confident14 Ų1465.2 Ų65.25%0.05337%0.366CS..SBendtrans-59.6-38.9179.4-172.470.778.3164.213.6112.7N161 L164 V168 L170 V193 F194 L195N161-R179 WeakPolarHBondContact OD1-CB 3.24Å; N161-R179 VanDerWaalsContact OD1-CG 3.28Å; N161-R179 WeakPolarHBondContact OD1-CG 3.27Å; L164-R179 HydrophobicContact CD1-CG 4.37Å; L164-R179 PolarHBondContact O-NH2 3.41Å; V168-R179 PolarHBondContact O-NH1 3.35Å; V168-R179 PolarHBondContact O-NH2 3.46Å; L170-R179 VanDerWaalsContact CD2-NH1 3.26Å; L170-R179 VanDerWaalsContact CG-CZ 3.46Å; R179-V193 HydrophobicContact CG-CG1 4.17Å; R179-V193 CarbonylContact O-C 3.53Å; R179-V193 WeakPolarHBondContact O-CA 3.36Å; R179-F194 WeakPolarHBondContact CD-O 3.42Å; R179-F194 PolarHBondContact NH1-O 3.02Å; R179-F194 PolarHBondContact O-N 3.46Å; R179-L195 PolarHBondContact NH1-O 3.11Å
180I92.2Very high84.1Confident44 Ų4462.6 Ų62.623%0.22635%0.35CS..BIsolated β-bridgetrans-104.5130.4179.8-57.3167.9000108.7L157 N161 K178 S182 V193L157-I180 HydrophobicContact CB-CD1 4.08Å; L157-I180 HydrophobicContact CD2-CD1 4.5Å; N161-I180 HydrophobicContact CB-CD1 4.41Å; K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 2.78Å; I180-S182 PolarHBondContact O-N 2.93Å; I180-S182 VanDerWaalsContact O-N 3.1Å; I180-V193 HydrophobicContact CG1-CG2 4.37Å
181D89.2Confident84.1Confident0 Ų061.6 Ų61.60%035%0.345CS..  trans-7890.4171.7-168.1-11.7000110.4C183 R184 Y192 W277 P278D181-C183 PolarHBondContact O-N 3.41Å; D181-C183 WeakPolarHBondContact OD1-CB 3.39Å; D181-C183 PolarHBondContact OD1-N 2.81Å; D181-R184 PolarHBondContact OD1-N 3.46Å; D181-R184 WeakPolarHBondContact OD2-CD 3.21Å; D181-R184 WeakPolarHBondContact OD2-CG 3.43Å; D181-R184 IonicContact OD2-CZ 3.26Å; D181-R184 VanDerWaalsContact OD2-CZ 3.26Å; D181-R184 IonicContact OD2-NE 3.34Å; D181-R184 PolarHBondContact OD2-NE 3.13Å; D181-R184 IonicContact OD2-NH1 2.78Å; D181-R184 PolarHBondContact OD2-NH1 3.34Å; D181-Y192 WeakPolarHBondContact CB-O 3.31Å; D181-Y192 PolarHBondContact N-O 3.47Å; D181-W277 HydrophobicContact CB-CH2 4.39Å; D181-W277 HydrophobicContact CB-CZ2 3.96Å; D181-P278 HydrophobicContact CB-CG 4.2Å; D181-P278 WeakPolarHBondContact OD1-CD 3.39Å; D181-P278 WeakPolarHBondContact OD1-CG 3.36Å
182S79.4Confident84.3Confident83 Ų8360.1 Ų60.158%0.5834%0.335SS*.THydrogen-bonded Turntrans-78.3-6.7176.2650000113.6I180I180-S182 PolarHBondContact O-N 2.93Å; I180-S182 VanDerWaalsContact O-N 3.1Å
183C74.7Confident84.6Confident63 Ų6357.1 Ų57.143%0.42630%0.304SS..THydrogen-bonded Turntrans-92.3-17.1-173.6-70.70000112.6D181D181-C183 PolarHBondContact O-N 3.41Å; D181-C183 WeakPolarHBondContact OD1-CB 3.39Å; D181-C183 PolarHBondContact OD1-N 2.81Å
184R77.3Confident84.9Confident41 Ų4153 Ų5316%0.15529%0.285CS..  trans-125.3127.1-175-55.5178.5-162.5139.7-8.7109.4D181 S252 L275 G276D181-R184 PolarHBondContact OD1-N 3.46Å; D181-R184 WeakPolarHBondContact OD2-CD 3.21Å; D181-R184 WeakPolarHBondContact OD2-CG 3.43Å; D181-R184 IonicContact OD2-CZ 3.26Å; D181-R184 VanDerWaalsContact OD2-CZ 3.26Å; D181-R184 IonicContact OD2-NE 3.34Å; D181-R184 PolarHBondContact OD2-NE 3.13Å; D181-R184 IonicContact OD2-NH1 2.78Å; D181-R184 PolarHBondContact OD2-NH1 3.34Å; R184-S252 PolarHBondContact NH2-O 3.19Å; R184-L275 PolarHBondContact NH2-O 3.08Å; R184-G276 PolarHBondContact NH1-O 3.34Å; R184-G276 PolarHBondContact NH2-O 3.08Å
185S71.4Confident85Confident106 Ų10653 Ų5374%0.74129%0.285SS*.  trans-100.7121.7162.259.10000108.5
186Y67.7Low85.1Confident90 Ų9049 Ų4935%0.35326%0.255SS..BIsolated β-bridgetrans-95.8172.9170.9-159.6-102.6000109.9N188 K189 S190 Y192Y186-N188 PolarHBondContact O-N 3.37Å; Y186-K189 PolarHBondContact O-N 2.99Å; Y186-S190 WeakPolarHBondContact CB-OG 3.15Å; Y186-S190 PolarHBondContact N-O 3.1Å; Y186-S190 PolarHBondContact O-N 3.11Å; Y186-S190 VanDerWaalsContact O-N 3.12Å; Y186-S190 PolarHBondContact O-OG 3.31Å; Y186-Y192 WeakPolarHBondContact CD1-OH 3.4Å; Y186-Y192 AromaticContact CD2-CE2 3.89Å; Y186-Y192 HydrophobicContact CD2-CE2 3.89Å; Y186-Y192 WeakPolarHBondContact CD2-OH 3.08Å; Y186-Y192 AromaticContact CG-CE2 3.81Å; Y186-Y192 HydrophobicContact CG-CE2 3.81Å; Y186-Y192 AromaticContact CG-CZ 3.96Å
187E67.3Low85.2Confident138 Ų13848.7 Ų48.765%0.64525%0.254SS*.G310 helixtrans-35.4137-177.3-64.8-179.9170.800113K189 S190E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å; E187-S190 WeakPolarHBondContact O-CB 3.36Å; E187-S190 PolarHBondContact O-N 2.88Å; E187-S190 PolarHBondContact O-OG 2.8Å
188N69.6Low85.1Confident141 Ų14148.3 Ų48.375%0.75425%0.252SS*.G310 helixtrans56.338.7179.9-62.4-19000115Y152 Y186 S190Y152-N188 VanDerWaalsContact CD2-O 3.26Å; Y152-N188 WeakPolarHBondContact CD2-O 3.5Å; Y152-N188 WeakPolarHBondContact CE2-O 3.31Å; Y186-N188 PolarHBondContact O-N 3.37Å; N188-S190 PolarHBondContact O-N 3.05Å
189K77.5Confident85Confident152 Ų15247.9 Ų47.966%0.66125%0.25SC*.G310 helixtrans58.730.5-178.3-54.9177.9177.2176.20112.6S153 Y186 E187S153-K189 WeakPolarHBondContact CB-O 3.07Å; S153-K189 PolarHBondContact N-O 2.83Å; S153-K189 PolarHBondContact OG-O 3.21Å; Y186-K189 PolarHBondContact O-N 2.99Å; E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å
190S84.3Confident84.9Confident15 Ų1550.5 Ų50.511%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-78.2148.5171.2550000110.8V151 Y186 E187 N188V151-S190 CarbonylContact O-C 2.96Å; V151-S190 VanDerWaalsContact O-CA 3.31Å; V151-S190 WeakPolarHBondContact O-CA 3.45Å; Y186-S190 WeakPolarHBondContact CB-OG 3.15Å; Y186-S190 PolarHBondContact N-O 3.1Å; Y186-S190 PolarHBondContact O-N 3.11Å; Y186-S190 VanDerWaalsContact O-N 3.12Å; Y186-S190 PolarHBondContact O-OG 3.31Å; E187-S190 WeakPolarHBondContact O-CB 3.36Å; E187-S190 PolarHBondContact O-N 2.88Å; E187-S190 PolarHBondContact O-OG 2.8Å; N188-S190 PolarHBondContact O-N 3.05Å
191T89.2Confident84.7Confident15 Ų1552 Ų529%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-124.2149.7173.848.80000108.6V151 S153V151-T191 PolarHBondContact N-O 2.97Å; V151-T191 PolarHBondContact O-N 3.17Å; V151-T191 PolarHBondContact O-OG1 2.77Å; S153-T191 VanDerWaalsContact OG-CG2 3.31Å; S153-T191 WeakPolarHBondContact OG-CG2 3.35Å
192Y91.6Very high84.9Confident6 Ų653 Ų532%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-87137.5178.2-71.3-80.6000111V149 A150 D181 Y186 T233 I274V149-Y192 CarbonylContact O-C 3.55Å; V149-Y192 WeakPolarHBondContact O-CA 3.43Å; A150-Y192 HydrophobicContact CB-CD1 4.11Å; A150-Y192 HydrophobicContact CB-CE1 3.81Å; D181-Y192 WeakPolarHBondContact CB-O 3.31Å; D181-Y192 PolarHBondContact N-O 3.47Å; Y186-Y192 WeakPolarHBondContact CD1-OH 3.4Å; Y186-Y192 AromaticContact CD2-CE2 3.89Å; Y186-Y192 HydrophobicContact CD2-CE2 3.89Å; Y186-Y192 WeakPolarHBondContact CD2-OH 3.08Å; Y186-Y192 AromaticContact CG-CE2 3.81Å; Y186-Y192 HydrophobicContact CG-CE2 3.81Å; Y186-Y192 AromaticContact CG-CZ 3.96Å; Y192-T233 HydrophobicContact CE1-CG2 4.06Å; Y192-I274 HydrophobicContact CD1-CG1 4.35Å; Y192-I274 HydrophobicContact CD2-CD1 4.21Å; Y192-I274 HydrophobicContact CD2-CG1 4.49Å; Y192-I274 HydrophobicContact CE1-CD1 4.12Å; Y192-I274 HydrophobicContact CE1-CG1 4.13Å; Y192-I274 HydrophobicContact CE2-CD1 3.63Å; Y192-I274 HydrophobicContact CE2-CG1 4.28Å
193V94.2Very high85.6Confident0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-114.2125.3174.3-178.90000108.5C148 V149 V151 L157 I160 L164 R179 I180C148-V193 CarbonylContact C-O 3.57Å; C148-V193 WeakPolarHBondContact CA-O 3.44Å; C148-V193 VanDerWaalsContact CB-O 3.25Å; C148-V193 WeakPolarHBondContact CB-O 3.25Å; V149-V193 HydrophobicContact CG1-CB 4.21Å; V149-V193 PolarHBondContact N-O 2.61Å; V149-V193 PolarHBondContact O-N 2.8Å; V151-V193 HydrophobicContact CB-CG2 4.11Å; V151-V193 HydrophobicContact CG2-CB 4.16Å; V151-V193 HydrophobicContact CG2-CG2 3.6Å; L157-V193 HydrophobicContact CD2-CG2 3.94Å; I160-V193 HydrophobicContact CG2-CG1 4.01Å; L164-V193 HydrophobicContact CD1-CG1 3.49Å; L164-V193 VanDerWaalsContact CD1-CG1 3.49Å; R179-V193 HydrophobicContact CG-CG1 4.17Å; R179-V193 CarbonylContact O-C 3.53Å; R179-V193 WeakPolarHBondContact O-CA 3.36Å; I180-V193 HydrophobicContact CG1-CG2 4.37Å
194F95.5Very high86.5Confident0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-77125.1179.6-174.4-118.8000110.9W147 L170 L174 I177 R179 Q196 I237 W277W147-F194 WeakPolarHBondContact O-CD2 3.33Å; L170-F194 HydrophobicContact CD2-CD1 3.56Å; L170-F194 HydrophobicContact CD2-CE1 3.59Å; L174-F194 HydrophobicContact CD1-CE1 4.21Å; I177-F194 HydrophobicContact CG2-CD1 4.07Å; R179-F194 WeakPolarHBondContact CD-O 3.42Å; R179-F194 PolarHBondContact NH1-O 3.02Å; R179-F194 PolarHBondContact O-N 3.46Å; F194-Q196 WeakPolarHBondContact CZ-O 3.36Å; F194-I237 HydrophobicContact CD2-CG2 4.29Å; F194-I237 HydrophobicContact CE1-CD1 3.8Å; F194-I237 HydrophobicContact CE2-CD1 3.78Å; F194-I237 HydrophobicContact CE2-CG1 4.43Å; F194-I237 HydrophobicContact CE2-CG2 4.06Å; F194-I237 HydrophobicContact CZ-CD1 3.33Å; F194-I237 HydrophobicContact CZ-CG1 4.35Å; F194-W277 HydrophobicContact CB-CH2 4.13Å; F194-W277 HydrophobicContact CB-CZ2 3.5Å; F194-W277 HydrophobicContact CG-CZ2 4.45Å
195L95.3Very high87.3Confident0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-87.2-68.9179.8-57.9177.4000110.1W147 V149 L164 R179 A207 L211W147-L195 HydrophobicContact CB-CB 4.34Å; W147-L195 HydrophobicContact CB-CD1 4.36Å; W147-L195 WeakPolarHBondContact O-CA 3.36Å; W147-L195 WeakPolarHBondContact O-CB 3.17Å; W147-L195 PolarHBondContact O-N 2.92Å; V149-L195 HydrophobicContact CB-CD1 4.41Å; V149-L195 HydrophobicContact CG1-CD2 3.9Å; V149-L195 HydrophobicContact CG1-CG 4.34Å; L164-L195 HydrophobicContact CD1-CD2 4.15Å; L164-L195 HydrophobicContact CD2-CD2 4Å; R179-L195 PolarHBondContact NH1-O 3.11Å; L195-A207 HydrophobicContact CD1-CB 4.44Å; L195-L211 HydrophobicContact CD1-CD2 3.87Å; L195-L211 HydrophobicContact CD1-CG 4.13Å; L195-L211 HydrophobicContact CD2-CD2 4.04Å
196Q94.8Very high88.4Confident14 Ų1451.5 Ų51.57%0.06526%0.259CS..EExtended strand (participates in β ladder)trans-164.2159.5-176.2-172.653.7-80.700111.1G146 W147 V168 P169 P171 F194 Y202G146-Q196 CarbonylContact C-O 3.17Å; G146-Q196 WeakPolarHBondContact CA-O 3.4Å; W147-Q196 PolarHBondContact N-O 3.45Å; W147-Q196 PolarHBondContact O-N 3.2Å; V168-Q196 HydrophobicContact CG1-CB 3.96Å; V168-Q196 HydrophobicContact CG1-CG 4.25Å; P169-Q196 PolarHBondContact O-NE2 2.9Å; P171-Q196 VanDerWaalsContact CD-OE1 3.22Å; F194-Q196 WeakPolarHBondContact CZ-O 3.36Å; Q196-Y202 HydrophobicContact CB-CD1 3.67Å; Q196-Y202 HydrophobicContact CB-CD2 4.26Å; Q196-Y202 HydrophobicContact CB-CE1 3.5Å; Q196-Y202 HydrophobicContact CB-CE2 4.07Å; Q196-Y202 HydrophobicContact CB-CG 4.05Å; Q196-Y202 HydrophobicContact CG-CD1 3.94Å; Q196-Y202 HydrophobicContact CG-CD2 4.08Å; Q196-Y202 HydrophobicContact CG-CE1 4.24Å; Q196-Y202 HydrophobicContact CG-CE2 4.33Å; Q196-Y202 HydrophobicContact CG-CG 3.85Å
197I94.9Very high89.7Confident6 Ų647.2 Ų47.23%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-65.2142.3170.7-158.4158000111.3H24 V144 P145 L174 L239H24-I197 WeakPolarHBondContact CE1-CD1 3.46Å; H24-I197 WeakPolarHBondContact NE2-CD1 3.34Å; V144-I197 HydrophobicContact CB-CD1 4.21Å; V144-I197 HydrophobicContact CG2-CD1 3.58Å; V144-I197 HydrophobicContact CG2-CG1 4.35Å; P145-I197 VanDerWaalsContact O-CG1 3.25Å; P145-I197 WeakPolarHBondContact O-CG1 3.19Å; L174-I197 HydrophobicContact CD1-CB 4.24Å; L174-I197 HydrophobicContact CD1-CD1 4.12Å; I197-L239 HydrophobicContact CD1-CD1 4.5Å
198A94.3Very high91.1Very high1 Ų141.9 Ų41.91%0.00822%0.218CC..  trans-77.7130.2178.700000109.4Y29 F89 P145Y29-A198 HydrophobicContact CD2-CB 3.86Å; Y29-A198 HydrophobicContact CE2-CB 3.86Å; F89-A198 HydrophobicContact CE2-CB 3.84Å; F89-A198 HydrophobicContact CZ-CB 3.72Å; P145-A198 HydrophobicContact CB-CB 4.17Å; P145-A198 HydrophobicContact CG-CB 4.32Å; P145-A198 PolarHBondContact O-N 3.13Å
199K92Very high92.2Very high76 Ų7641 Ų4133%0.3321%0.21SC..BIsolated β-bridgetrans-156.3164.8-179.257.5179.1-176157.70108.9K28 S201 Y202K28-K199 WeakPolarHBondContact O-CA 3.37Å; K28-K199 WeakPolarHBondContact O-CB 3.3Å; K199-S201 WeakPolarHBondContact CD-OG 3.49Å; K199-S201 WeakPolarHBondContact CE-OG 3.18Å; K199-S201 PolarHBondContact NZ-OG 3.2Å; K199-S201 VanDerWaalsContact NZ-OG 3.15Å; K199-S201 PolarHBondContact O-N 3.33Å; K199-Y202 PolarHBondContact N-O 3.12Å; K199-Y202 CarbonylContact O-C 3.55Å; K199-Y202 PolarHBondContact O-N 3.46Å; K199-Y202 VanDerWaalsContact O-O 3.1Å
200P89.4Confident93Very high69 Ų6934.6 Ų34.645%0.44818%0.183SC..THydrogen-bonded Turntrans-55.7-23.7176.2-29.235.1000115K28 D31K28-P200 WeakPolarHBondContact O-CD 3.41Å; D31-P200 HydrophobicContact CB-CG 3.8Å
201S89.9Confident93.5Very high77 Ų7734 Ų3454%0.53818%0.179SC..THydrogen-bonded Turntrans-987.7176.250.50000114.4K199K199-S201 WeakPolarHBondContact CD-OG 3.49Å; K199-S201 WeakPolarHBondContact CE-OG 3.18Å; K199-S201 PolarHBondContact NZ-OG 3.2Å; K199-S201 VanDerWaalsContact NZ-OG 3.15Å; K199-S201 PolarHBondContact O-N 3.33Å
202Y93.5Very high93.6Very high19 Ų1937.6 Ų37.68%0.07520%0.198CC..BIsolated β-bridgetrans-155.580.8174.5-161.2-82.1000108.8W147 V168 Q196 K199 D206 A207 T210W147-Y202 AromaticContact CD1-CD1 3.86Å; W147-Y202 AromaticContact CD1-CE1 3.98Å; V168-Y202 HydrophobicContact CG1-CE2 4.08Å; Q196-Y202 HydrophobicContact CB-CD1 3.67Å; Q196-Y202 HydrophobicContact CB-CD2 4.26Å; Q196-Y202 HydrophobicContact CB-CE1 3.5Å; Q196-Y202 HydrophobicContact CB-CE2 4.07Å; Q196-Y202 HydrophobicContact CB-CG 4.05Å; Q196-Y202 HydrophobicContact CG-CD1 3.94Å; Q196-Y202 HydrophobicContact CG-CD2 4.08Å; Q196-Y202 HydrophobicContact CG-CE1 4.24Å; Q196-Y202 HydrophobicContact CG-CE2 4.33Å; Q196-Y202 HydrophobicContact CG-CG 3.85Å; K199-Y202 PolarHBondContact N-O 3.12Å; K199-Y202 CarbonylContact O-C 3.55Å; K199-Y202 PolarHBondContact O-N 3.46Å; K199-Y202 VanDerWaalsContact O-O 3.1Å; Y202-D206 WeakPolarHBondContact CA-OD2 3.33Å; Y202-D206 HydrophobicContact CD2-CB 4.07Å; Y202-D206 HydrophobicContact CE2-CB 4.35Å; Y202-D206 HydrophobicContact CG-CB 4.25Å; Y202-A207 HydrophobicContact CE1-CB 3.8Å; Y202-T210 WeakPolarHBondContact OH-CB 3.27Å; Y202-T210 PolarHBondContact OH-OG1 2.66Å; Y202-T210 VanDerWaalsContact OH-OG1 3.07Å
203T93.9Very high93.6Very high27 Ų2739.6 Ų39.617%0.16621%0.212CC..  trans-88.8-177.9-178.166.70000111.4D85 L205 D206 A207D85-T203 WeakPolarHBondContact OD2-CA 3.48Å; D85-T203 WeakPolarHBondContact OD2-CB 3.39Å; T203-L205 PolarHBondContact O-N 2.78Å; T203-L205 PolarHBondContact OG1-N 3.25Å; T203-D206 WeakPolarHBondContact CB-OD2 3.34Å; T203-D206 PolarHBondContact N-OD2 3.17Å; T203-D206 PolarHBondContact O-N 2.89Å; T203-D206 PolarHBondContact OG1-OD2 3.03Å; T203-A207 WeakPolarHBondContact O-CB 3.43Å; T203-A207 PolarHBondContact O-N 3.49Å
204W93.5Very high93.5Very high64 Ų6439.6 Ų39.624%0.24221%0.212CC..Hα-helixtrans-55.1-36.6169.7-178.279.6000112.8D85 Y88 W147 A207 N208D85-W204 WeakPolarHBondContact OD1-CB 3.16Å; D85-W204 PolarHBondContact OD2-N 3.38Å; Y88-W204 HydrophobicContact CD2-CB 4.22Å; Y88-W204 HydrophobicContact CD2-CG 4.29Å; Y88-W204 AromaticContact CE1-CD1 3.98Å; Y88-W204 HydrophobicContact CE1-CD2 4.45Å; Y88-W204 HydrophobicContact CE1-CG 4.3Å; Y88-W204 AromaticContact CE1-NE1 3.92Å; Y88-W204 HydrophobicContact CE2-CB 3.77Å; Y88-W204 HydrophobicContact CE2-CD2 4.21Å; Y88-W204 AromaticContact CE2-CG 3.7Å; Y88-W204 HydrophobicContact CE2-CG 3.7Å; Y88-W204 AromaticContact CZ-CD1 3.84Å; Y88-W204 AromaticContact CZ-CD2 3.81Å; Y88-W204 AromaticContact CZ-CG 3.7Å; W147-W204 HydrophobicContact CH2-CB 3.8Å; W147-W204 AromaticContact CH2-CD1 3.58Å; W147-W204 HydrophobicContact CH2-CG 4.09Å; W147-W204 HydrophobicContact CZ2-CB 3.63Å; W147-W204 HydrophobicContact CZ2-CG 4.36Å; W147-W204 AromaticContact CZ3-CD1 3.73Å; W204-A207 PolarHBondContact O-N 3.34Å; W204-N208 VanDerWaalsContact CE3-ND2 3.34Å; W204-N208 VanDerWaalsContact CH2-ND2 3.28Å; W204-N208 WeakPolarHBondContact CH2-ND2 3.34Å; W204-N208 WeakPolarHBondContact CZ2-ND2 3.5Å; W204-N208 WeakPolarHBondContact CZ3-ND2 3.25Å; W204-N208 PolarHBondContact O-N 3.33Å; W204-N208 PolarHBondContact O-ND2 3.21Å
205L93.8Very high93.3Very high119 Ų11941.1 Ų41.162%0.62322%0.222SC*.Hα-helixtrans-65.5-48.3178.9-68.8172.3000111.3T203 A207 N208 E209T203-L205 PolarHBondContact O-N 2.78Å; T203-L205 PolarHBondContact OG1-N 3.25Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 2.93Å; L205-N208 PolarHBondContact O-N 3.31Å; L205-N208 VanDerWaalsContact O-N 3.1Å; L205-E209 PolarHBondContact O-N 2.87Å
206D95.2Very high93Very high52 Ų5248.3 Ų48.328%0.27826%0.255SS..Hα-helixtrans-62.6-36.1178-52.7-73.3000111.5Y202 T203 E209 T210Y202-D206 WeakPolarHBondContact CA-OD2 3.33Å; Y202-D206 HydrophobicContact CD2-CB 4.07Å; Y202-D206 HydrophobicContact CE2-CB 4.35Å; Y202-D206 HydrophobicContact CG-CB 4.25Å; T203-D206 WeakPolarHBondContact CB-OD2 3.34Å; T203-D206 PolarHBondContact N-OD2 3.17Å; T203-D206 PolarHBondContact O-N 2.89Å; T203-D206 PolarHBondContact OG1-OD2 3.03Å; D206-E209 PolarHBondContact O-N 3.07Å; D206-T210 WeakPolarHBondContact O-CB 3.44Å; D206-T210 PolarHBondContact O-N 3.47Å; D206-T210 PolarHBondContact O-OG1 2.94Å
207A95.1Very high92.8Very high0 Ų053.5 Ų53.50%028%0.283CS..Hα-helixtrans-64.7-39.6174.700000112.1W147 L195 Y202 T203 W204 L205 L211 P232W147-A207 HydrophobicContact CB-CB 4.09Å; W147-A207 HydrophobicContact CD2-CB 4.31Å; W147-A207 HydrophobicContact CG-CB 3.87Å; L195-A207 HydrophobicContact CD1-CB 4.44Å; Y202-A207 HydrophobicContact CE1-CB 3.8Å; T203-A207 WeakPolarHBondContact O-CB 3.43Å; T203-A207 PolarHBondContact O-N 3.49Å; W204-A207 PolarHBondContact O-N 3.34Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 2.93Å; A207-L211 WeakPolarHBondContact O-CG 3.24Å; A207-L211 PolarHBondContact O-N 3.07Å; A207-L211 VanDerWaalsContact O-N 3.12Å; A207-P232 HydrophobicContact CB-CB 3.9Å; A207-P232 HydrophobicContact CB-CG 3.53Å
208N94.9Very high92.4Very high26 Ų2655.1 Ų55.114%0.13929%0.291CS..Hα-helixtrans-66.5-45.1173.6-75.3-74.7000111.8W204 L205 T210 L211 D212 P232W204-N208 VanDerWaalsContact CE3-ND2 3.34Å; W204-N208 VanDerWaalsContact CH2-ND2 3.28Å; W204-N208 WeakPolarHBondContact CH2-ND2 3.34Å; W204-N208 WeakPolarHBondContact CZ2-ND2 3.5Å; W204-N208 WeakPolarHBondContact CZ3-ND2 3.25Å; W204-N208 PolarHBondContact O-N 3.33Å; W204-N208 PolarHBondContact O-ND2 3.21Å; L205-N208 PolarHBondContact O-N 3.31Å; L205-N208 VanDerWaalsContact O-N 3.1Å; N208-T210 PolarHBondContact O-N 2.91Å; N208-L211 CarbonylContact O-C 3.55Å; N208-L211 WeakPolarHBondContact O-CA 3.09Å; N208-L211 WeakPolarHBondContact O-CB 3.34Å; N208-L211 PolarHBondContact O-N 3.39Å; N208-D212 PolarHBondContact O-N 3.35Å; N208-P232 VanDerWaalsContact CG-CD 3.49Å; N208-P232 WeakPolarHBondContact OD1-CD 3.25Å
209E94.5Very high92Very high124 Ų12463 Ų6358%0.57933%0.328SS*.Hα-helixtrans-59.8-38.1178.6-174.4178.4-178.700111.7L205 D206 D212 S213L205-E209 PolarHBondContact O-N 2.87Å; D206-E209 PolarHBondContact O-N 3.07Å; E209-D212 PolarHBondContact O-N 3.23Å; E209-S213 VanDerWaalsContact O-CB 3.3Å; E209-S213 WeakPolarHBondContact O-CB 3.28Å; E209-S213 PolarHBondContact O-N 3.33Å; E209-S213 PolarHBondContact O-OG 3.09Å
210T93.9Very high91.5Very high17 Ų1759.5 Ų59.510%0.10431%0.313CS..Hα-helixtrans-62-42.7172.6-60.70000111.6L164 V168 Y202 D206 N208 M214L164-T210 HydrophobicContact CD2-CG2 4.34Å; V168-T210 HydrophobicContact CG2-CG2 3.75Å; Y202-T210 WeakPolarHBondContact OH-CB 3.27Å; Y202-T210 PolarHBondContact OH-OG1 2.66Å; Y202-T210 VanDerWaalsContact OH-OG1 3.07Å; D206-T210 WeakPolarHBondContact O-CB 3.44Å; D206-T210 PolarHBondContact O-N 3.47Å; D206-T210 PolarHBondContact O-OG1 2.94Å; N208-T210 PolarHBondContact O-N 2.91Å; T210-M214 VanDerWaalsContact O-CB 3.24Å; T210-M214 WeakPolarHBondContact O-CB 3.34Å; T210-M214 PolarHBondContact O-N 2.94Å
211L93.6Very high91.1Very high3 Ų358.6 Ų58.62%0.01630%0.304CS..Hα-helixtrans-65.3-45.6176.6-69.3-177.5000111.7V149 L195 A207 N208 S213 M214 V215 I228 P232V149-L211 HydrophobicContact CB-CD1 4.34Å; V149-L211 HydrophobicContact CB-CD2 3.84Å; V149-L211 HydrophobicContact CG1-CD2 3.81Å; V149-L211 HydrophobicContact CG2-CD1 3.87Å; V149-L211 HydrophobicContact CG2-CD2 3.79Å; L195-L211 HydrophobicContact CD1-CD2 3.87Å; L195-L211 HydrophobicContact CD1-CG 4.13Å; L195-L211 HydrophobicContact CD2-CD2 4.04Å; A207-L211 WeakPolarHBondContact O-CG 3.24Å; A207-L211 PolarHBondContact O-N 3.07Å; A207-L211 VanDerWaalsContact O-N 3.12Å; N208-L211 CarbonylContact O-C 3.55Å; N208-L211 WeakPolarHBondContact O-CA 3.09Å; N208-L211 WeakPolarHBondContact O-CB 3.34Å; N208-L211 PolarHBondContact O-N 3.39Å; L211-S213 PolarHBondContact O-N 3.41Å; L211-M214 HydrophobicContact CD2-CE 3.67Å; L211-M214 PolarHBondContact O-N 3.26Å; L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.24Å; L211-V215 WeakPolarHBondContact O-CG2 3.48Å; L211-V215 PolarHBondContact O-N 3.41Å; L211-I228 HydrophobicContact CD2-CD1 4.01Å; L211-P232 HydrophobicContact CD1-CG 3.81Å
212D92.2Very high90Very high90 Ų9058.7 Ų58.748%0.48131%0.305SS..Hα-helixtrans-61.3-46.7179.4-73.3-22.4000111N208 E209 M214 V215 Q216N208-D212 PolarHBondContact O-N 3.35Å; E209-D212 PolarHBondContact O-N 3.23Å; D212-M214 VanDerWaalsContact C-N 3.32Å; D212-M214 PolarHBondContact O-N 3.09Å; D212-V215 PolarHBondContact O-N 2.79Å; D212-Q216 WeakPolarHBondContact O-CB 3.49Å; D212-Q216 VanDerWaalsContact O-CG 3.25Å; D212-Q216 WeakPolarHBondContact O-CG 2.95Å; D212-Q216 PolarHBondContact O-N 3.49Å
213S92.6Very high88.5Confident48 Ų4863.8 Ų63.834%0.33634%0.343SS..Hα-helixtrans-59.1-43.2175.4-62.10000111.9Y163 E209 L211 L217Y163-S213 WeakPolarHBondContact OH-CB 3.47Å; E209-S213 VanDerWaalsContact O-CB 3.3Å; E209-S213 WeakPolarHBondContact O-CB 3.28Å; E209-S213 PolarHBondContact O-N 3.33Å; E209-S213 PolarHBondContact O-OG 3.09Å; L211-S213 PolarHBondContact O-N 3.41Å; S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.43Å; S213-L217 PolarHBondContact O-N 2.89Å
214M92Very high86.8Confident0 Ų069.6 Ų69.60%037%0.373CS..Hα-helixtrans-67.5-43.7178.5-172.9171.656.300112.1I160 Y163 L164 T210 L211 D212 L218 L220 I228I160-M214 HydrophobicContact CB-SD 4.37Å; I160-M214 HydrophobicContact CG1-SD 4.2Å; I160-M214 HydrophobicContact CG2-SD 3.77Å; Y163-M214 HydrophobicContact CD1-CB 3.91Å; Y163-M214 HydrophobicContact CD1-CG 3.53Å; Y163-M214 HydrophobicContact CD1-SD 3.71Å; Y163-M214 HydrophobicContact CE1-CB 3.49Å; Y163-M214 VanDerWaalsContact CE1-CB 3.49Å; Y163-M214 HydrophobicContact CE1-CG 3.69Å; Y163-M214 HydrophobicContact CE1-SD 4.14Å; Y163-M214 HydrophobicContact CG-CG 4.19Å; L164-M214 HydrophobicContact CD2-SD 4.12Å; L164-M214 HydrophobicContact CG-SD 4.16Å; T210-M214 VanDerWaalsContact O-CB 3.24Å; T210-M214 WeakPolarHBondContact O-CB 3.34Å; T210-M214 PolarHBondContact O-N 2.94Å; L211-M214 HydrophobicContact CD2-CE 3.67Å; L211-M214 PolarHBondContact O-N 3.26Å; D212-M214 VanDerWaalsContact C-N 3.32Å; D212-M214 PolarHBondContact O-N 3.09Å; M214-L218 HydrophobicContact CG-CD1 3.78Å; M214-L218 HydrophobicContact CG-CG 4.41Å; M214-L218 VanDerWaalsContact O-CB 3.27Å; M214-L218 WeakPolarHBondContact O-CB 3.48Å; M214-L218 PolarHBondContact O-N 2.79Å; M214-L220 HydrophobicContact CG-CD1 4.22Å; M214-I228 HydrophobicContact CE-CD1 3.26Å
215V90Very high85.6Confident32 Ų3273.1 Ų73.119%0.19439%0.392CS..Hα-helixtrans-62.5-44.8178.6168.90000110.7L211 D212 Q219 L220 N221 I228L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.24Å; L211-V215 WeakPolarHBondContact O-CG2 3.48Å; L211-V215 PolarHBondContact O-N 3.41Å; D212-V215 PolarHBondContact O-N 2.79Å; V215-Q219 VanDerWaalsContact O-CA 3.28Å; V215-Q219 WeakPolarHBondContact O-CA 3.14Å; V215-Q219 PolarHBondContact O-N 3.38Å; V215-L220 PolarHBondContact O-N 3.37Å; V215-N221 HydrophobicContact CG1-CB 4.22Å; V215-I228 HydrophobicContact CG2-CG2 3.47Å; V215-I228 VanDerWaalsContact CG2-CG2 3.47Å
216Q89.4Confident84.6Confident151 Ų15174.5 Ų74.571%0.70640%0.395SS*.Hα-helixtrans-66.1-48.7178.9-71.117616.500111.7D212D212-Q216 WeakPolarHBondContact O-CB 3.49Å; D212-Q216 VanDerWaalsContact O-CG 3.25Å; D212-Q216 WeakPolarHBondContact O-CG 2.95Å; D212-Q216 PolarHBondContact O-N 3.49Å
217L89.6Confident83.8Confident123 Ų12373.5 Ų73.564%0.64439%0.39SS*.Hα-helixtrans-70.7-39.1-175.6-169.371.9000112.8Y163 S213Y163-L217 HydrophobicContact CD2-CD2 3.7Å; Y163-L217 HydrophobicContact CE2-CD2 3.5Å; Y163-L217 VanDerWaalsContact CE2-CD2 3.5Å; S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.43Å; S213-L217 PolarHBondContact O-N 2.89Å
218L88.2Confident83.3Confident39 Ų3973.6 Ų73.620%0.20439%0.39CS..Hα-helixtrans-92.4-2.3-178.4-62.4-177.7000113.6K159 I160 Y163 M214 L220K159-L218 HydrophobicContact CB-CD1 4.41Å; K159-L218 HydrophobicContact CB-CD2 4.35Å; I160-L218 HydrophobicContact CG1-CD1 3.88Å; Y163-L218 HydrophobicContact CG-CD1 4.33Å; M214-L218 HydrophobicContact CG-CD1 3.78Å; M214-L218 HydrophobicContact CG-CG 4.41Å; M214-L218 VanDerWaalsContact O-CB 3.27Å; M214-L218 WeakPolarHBondContact O-CB 3.48Å; M214-L218 PolarHBondContact O-N 2.79Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 HydrophobicContact CB-CD1 4.13Å; L218-L220 HydrophobicContact CB-CD2 3.89Å; L218-L220 HydrophobicContact CB-CG 3.67Å; L218-L220 HydrophobicContact CD1-CD1 4.24Å; L218-L220 PolarHBondContact O-N 3.44Å
219Q85.5Confident82.7Confident168 Ų16874.3 Ų74.379%0.78540%0.397SS*.THydrogen-bonded Turntrans50.546.1-179.2-59.5178.2-6.700112.3V215V215-Q219 VanDerWaalsContact O-CA 3.28Å; V215-Q219 WeakPolarHBondContact O-CA 3.14Å; V215-Q219 PolarHBondContact O-N 3.38Å
220L80.5Confident82Confident2 Ų272.8 Ų72.81%0.0140%0.397CS..  trans-75.7-30.1-169-66.2173.2000113.8H156 I160 M214 V215 L218 I227 I228H156-L220 HydrophobicContact CB-CD2 3.82Å; I160-L220 HydrophobicContact CD1-CD1 3.81Å; I160-L220 HydrophobicContact CD1-CD2 4.24Å; I160-L220 HydrophobicContact CG1-CD1 3.83Å; I160-L220 HydrophobicContact CG1-CD2 4.33Å; M214-L220 HydrophobicContact CG-CD1 4.22Å; V215-L220 PolarHBondContact O-N 3.37Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 HydrophobicContact CB-CD1 4.13Å; L218-L220 HydrophobicContact CB-CD2 3.89Å; L218-L220 HydrophobicContact CB-CG 3.67Å; L218-L220 HydrophobicContact CD1-CD1 4.24Å; L218-L220 PolarHBondContact O-N 3.44Å; L220-I227 VanDerWaalsContact O-CB 3.24Å; L220-I227 WeakPolarHBondContact O-CB 3.49Å; L220-I227 WeakPolarHBondContact O-CD1 3.48Å; L220-I227 WeakPolarHBondContact O-CG1 3.45Å; L220-I228 HydrophobicContact CB-CG2 3.98Å; L220-I228 HydrophobicContact CD1-CD1 4.39Å; L220-I228 HydrophobicContact CD1-CG2 4.07Å
221N80.7Confident81.8Confident49 Ų4973.2 Ų73.226%0.26240%0.4SS..BIsolated β-bridgetrans-110.6127.5-176.8-71-20000109.7V215 I227 I228V215-N221 HydrophobicContact CG1-CB 4.22Å; N221-I227 PolarHBondContact OD1-N 3.33Å; N221-I228 PolarHBondContact ND2-O 2.67Å; N221-I228 PolarHBondContact OD1-N 3.45Å
222S67.3Low81.8Confident79 Ų7973.2 Ų73.255%0.55240%0.401SS*.  trans-114.3172.9170.6670000110D224 H225S222-D224 PolarHBondContact O-N 2.8Å; S222-D224 VanDerWaalsContact O-N 3.13Å; S222-H225 PolarHBondContact N-O 2.98Å
223S61.5Low81.8Confident127 Ų12769.7 Ų69.789%0.88838%0.382SS*.SBendtrans-52.7-35.5-178.2-37.50000113.5
224D59.6Low81.8Confident148 Ų14867.6 Ų67.679%0.79137%0.367SS*.SBendtrans-100-26-169.9-65.1-31.8000113.7S222S222-D224 PolarHBondContact O-N 2.8Å; S222-D224 VanDerWaalsContact O-N 3.13Å
225H67.9Low81.9Confident138 Ų13867.6 Ų67.664%0.63937%0.367SS*.  trans-135.5115.2-173.9-78.213.7000112.2S222 I227S222-H225 PolarHBondContact N-O 2.98Å; H225-I227 PolarHBondContact O-N 3.35Å
226Q71.7Confident82Confident148 Ų14866 Ų6669%0.69236%0.358SS*.BIsolated β-bridgetrans-82.9104.5168.4-72.4-175.5-16.700109.6
227I80.3Confident82.2Confident31 Ų3158.9 Ų58.916%0.15932%0.324CS..  trans-78.9-31177.7-58.7-174.6000110.3V151 Y152 H156 L220 N221 H225V151-I227 CarbonylContact C-O 3.47Å; V151-I227 WeakPolarHBondContact CA-O 3.43Å; V151-I227 HydrophobicContact CG1-CG2 4.32Å; Y152-I227 WeakPolarHBondContact CB-O 3.46Å; Y152-I227 PolarHBondContact N-O 2.76Å; H156-I227 HydrophobicContact CB-CG2 4.29Å; H156-I227 WeakPolarHBondContact NE2-CD1 3.43Å; L220-I227 VanDerWaalsContact O-CB 3.24Å; L220-I227 WeakPolarHBondContact O-CB 3.49Å; L220-I227 WeakPolarHBondContact O-CD1 3.48Å; L220-I227 WeakPolarHBondContact O-CG1 3.45Å; N221-I227 PolarHBondContact OD1-N 3.33Å; H225-I227 PolarHBondContact O-N 3.35Å
228I82.9Confident82.5Confident2 Ų253 Ų531%0.0129%0.294CS..BIsolated β-bridgetrans-130.2139.4-177.9-174.6167.6000111V149 V151 L211 M214 V215 L220 N221V149-I228 HydrophobicContact CG1-CD1 3.95Å; V149-I228 HydrophobicContact CG1-CG1 4.38Å; V149-I228 HydrophobicContact CG2-CD1 3.98Å; V149-I228 HydrophobicContact CG2-CG1 3.64Å; V151-I228 HydrophobicContact CG2-CB 4.49Å; V151-I228 HydrophobicContact CG2-CD1 3.97Å; V151-I228 HydrophobicContact CG2-CG1 3.96Å; L211-I228 HydrophobicContact CD2-CD1 4.01Å; M214-I228 HydrophobicContact CE-CD1 3.26Å; V215-I228 HydrophobicContact CG2-CG2 3.47Å; V215-I228 VanDerWaalsContact CG2-CG2 3.47Å; L220-I228 HydrophobicContact CB-CG2 3.98Å; L220-I228 HydrophobicContact CD1-CD1 4.39Å; L220-I228 HydrophobicContact CD1-CG2 4.07Å; N221-I228 PolarHBondContact ND2-O 2.67Å; N221-I228 PolarHBondContact OD1-N 3.45Å
229S83.4Confident82.8Confident42 Ų4251.4 Ų51.429%0.29429%0.286SS..  trans-59.2141.9173.2-1750000111A150 S231A150-S229 PolarHBondContact O-N 3.01Å; S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 2.71Å
230T79.1Confident83.3Confident92 Ų9248.9 Ų48.956%0.56427%0.269SS*.SBendtrans-821.5-177.754.40000113.9
231S89Confident84Confident25 Ų2551 Ų5118%0.17529%0.286CS..SBendtrans-141.3143.2178.569.90000112.6S229S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 2.71Å
232P93.5Very high84.6Confident4 Ų449 Ų493%0.02628%0.276CS..  trans-58.9141.5172.4-22.231.9000111.5W147 A207 N208 L211W147-P232 HydrophobicContact CD2-CB 4.35Å; W147-P232 HydrophobicContact CE3-CB 3.77Å; W147-P232 HydrophobicContact CZ3-CB 4.34Å; A207-P232 HydrophobicContact CB-CB 3.9Å; A207-P232 HydrophobicContact CB-CG 3.53Å; N208-P232 VanDerWaalsContact CG-CD 3.49Å; N208-P232 WeakPolarHBondContact OD1-CD 3.25Å; L211-P232 HydrophobicContact CD1-CG 3.81Å
233T92.2Very high86Confident16 Ų1647.4 Ų47.410%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-106.1130.8173.6-56.30000108.8C148 Y192 I274C148-T233 PolarHBondContact N-O 2.9Å; C148-T233 PolarHBondContact O-N 3.43Å; C148-T233 PolarHBondContact SG-O 2.94Å; C148-T233 VanDerWaalsContact SG-O 3.36Å; Y192-T233 HydrophobicContact CE1-CG2 4.06Å; T233-I274 HydrophobicContact CG2-CG1 3.94Å
234P93.6Very high87.5Confident3 Ų341.4 Ų41.42%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-71.4135.617828.9-33.4000110.6Y88 F89 W147 I273 I274Y88-P234 WeakPolarHBondContact O-CB 3.39Å; Y88-P234 WeakPolarHBondContact O-CG 3.24Å; F89-P234 HydrophobicContact CD1-CB 3.69Å; F89-P234 HydrophobicContact CE1-CB 3.61Å; F89-P234 HydrophobicContact CG-CB 4.37Å; F89-P234 HydrophobicContact CZ-CB 4.25Å; W147-P234 HydrophobicContact CE3-CB 4.45Å; W147-P234 HydrophobicContact CZ3-CB 3.95Å; P234-I273 HydrophobicContact CG-CG1 4.22Å; P234-I274 PolarHBondContact O-N 3.26Å
235C93Very high89.1Confident0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-133.2158.5173.871.20000112.6F89 P145 G146 C148 I237 I274 W277F89-C235 WeakPolarHBondContact CE1-O 3.43Å; P145-C235 CarbonylContact C-O 3.57Å; P145-C235 WeakPolarHBondContact CA-O 3.41Å; G146-C235 PolarHBondContact N-O 3.1Å; G146-C235 PolarHBondContact O-N 3.02Å; G146-C235 VanDerWaalsContact O-O 3.11Å; G146-C235 PolarHBondContact O-SG 2.88Å; C148-C235 HydrophobicContact CB-CB 4.46Å; C235-I237 HydrophobicContact CB-CG2 4.48Å; C235-I274 CarbonylContact C-O 3.52Å; C235-I274 WeakPolarHBondContact CA-O 3.44Å; C235-I274 HydrophobicContact CB-CB 3.72Å; C235-I274 HydrophobicContact CB-CG2 4.24Å; C235-W277 HydrophobicContact CB-CE3 4.26Å; C235-W277 HydrophobicContact CB-CZ3 3.9Å
236W93.2Very high90.1Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-120.6118.6172.5-73.681.5000108.5L25 L57 F60 V61 F89 L90 L143 V144 P145 I273 I274 L275 G276L25-W236 HydrophobicContact CD1-CH2 4.05Å; L25-W236 HydrophobicContact CD1-CZ3 3.98Å; L57-W236 HydrophobicContact CD2-CH2 4.14Å; F60-W236 AromaticContact CD1-CD2 3.99Å; F60-W236 HydrophobicContact CD1-CD2 3.99Å; F60-W236 AromaticContact CD1-CE2 3.47Å; F60-W236 VanDerWaalsContact CD1-CE2 3.47Å; F60-W236 HydrophobicContact CD1-CE3 4.5Å; F60-W236 HydrophobicContact CD1-CH2 4.09Å; F60-W236 AromaticContact CD1-CZ2 3.52Å; F60-W236 HydrophobicContact CD1-CZ2 3.52Å; F60-W236 AromaticContact CD1-NE1 3.76Å; F60-W236 AromaticContact CE1-CD1 3.46Å; F60-W236 VanDerWaalsContact CE1-CD1 3.46Å; F60-W236 AromaticContact CE1-CD2 3.73Å; F60-W236 HydrophobicContact CE1-CD2 3.73Å; F60-W236 AromaticContact CE1-CE2 3.32Å; F60-W236 AromaticContact CE1-CG 3.79Å; F60-W236 HydrophobicContact CE1-CG 3.79Å; F60-W236 AromaticContact CE1-CZ2 3.88Å; F60-W236 HydrophobicContact CE1-CZ2 3.88Å; F60-W236 AromaticContact CE1-NE1 3.13Å; F60-W236 HydrophobicContact CG-CZ2 4.42Å; F60-W236 AromaticContact CZ-NE1 3.8Å; V61-W236 HydrophobicContact CG2-CE3 4.05Å; V61-W236 HydrophobicContact CG2-CH2 3.96Å; V61-W236 HydrophobicContact CG2-CZ3 3.39Å; F89-W236 HydrophobicContact CB-CZ2 4Å; F89-W236 AromaticContact CD1-NE1 3.86Å; F89-W236 PolarHBondContact O-NE1 3.22Å; F89-W236 VanDerWaalsContact O-NE1 3.1Å; L90-W236 HydrophobicContact CD2-CZ2 4.41Å; L143-W236 HydrophobicContact CB-CB 4.17Å; L143-W236 HydrophobicContact CB-CE3 3.95Å; L143-W236 HydrophobicContact CD1-CB 4.07Å; L143-W236 HydrophobicContact CD2-CB 4.46Å; L143-W236 HydrophobicContact CG-CB 4.44Å; V144-W236 CarbonylContact O-C 3.46Å; V144-W236 WeakPolarHBondContact O-CA 3.1Å; P145-W236 HydrophobicContact CB-CD2 4.4Å; P145-W236 HydrophobicContact CB-CE3 4.41Å; P145-W236 HydrophobicContact CB-CH2 4.4Å; P145-W236 HydrophobicContact CB-CZ2 4.38Å; P145-W236 HydrophobicContact CB-CZ3 4.41Å; P145-W236 HydrophobicContact CG-CH2 4.48Å; P145-W236 HydrophobicContact CG-CZ3 4.41Å; W236-I273 VanDerWaalsContact CD1-CG2 3.5Å; W236-I274 PolarHBondContact N-O 3.22Å; W236-L275 HydrophobicContact CB-CD2 3.77Å; W236-L275 HydrophobicContact CG-CD2 3.98Å; W236-G276 WeakPolarHBondContact O-CA 3.43Å; W236-G276 PolarHBondContact O-N 2.88Å
237I94.3Very high91.1Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-119151.3-171.166160000111.1L143 V144 L174 I177 F194 C235 L239 W277L143-I237 CarbonylContact C-O 2.93Å; L143-I237 VanDerWaalsContact CA-O 3.25Å; L143-I237 WeakPolarHBondContact CA-O 3.45Å; V144-I237 HydrophobicContact CG2-CG1 3.99Å; V144-I237 WeakPolarHBondContact CG2-O 3.42Å; V144-I237 PolarHBondContact N-O 3.26Å; V144-I237 PolarHBondContact O-N 3.22Å; L174-I237 HydrophobicContact CD1-CD1 3.92Å; L174-I237 HydrophobicContact CD2-CD1 4.26Å; I177-I237 HydrophobicContact CD1-CD1 4.39Å; I177-I237 HydrophobicContact CG1-CD1 4.22Å; F194-I237 HydrophobicContact CD2-CG2 4.29Å; F194-I237 HydrophobicContact CE1-CD1 3.8Å; F194-I237 HydrophobicContact CE2-CD1 3.78Å; F194-I237 HydrophobicContact CE2-CG1 4.43Å; F194-I237 HydrophobicContact CE2-CG2 4.06Å; F194-I237 HydrophobicContact CZ-CD1 3.33Å; F194-I237 HydrophobicContact CZ-CG1 4.35Å; C235-I237 HydrophobicContact CB-CG2 4.48Å; I237-L239 PolarHBondContact O-N 3.42Å; I237-W277 HydrophobicContact CB-CB 3.99Å; I237-W277 HydrophobicContact CG2-CB 3.74Å; I237-W277 HydrophobicContact CG2-CD2 3.94Å; I237-W277 HydrophobicContact CG2-CE3 3.75Å; I237-W277 HydrophobicContact CG2-CG 3.94Å
238P94.9Very high91.7Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-69.6119.9177.529.3-35.4000110.9P141 H176 I177 R240 Y251P141-P238 WeakPolarHBondContact O-CB 3.35Å; H176-P238 PolarHBondContact NE2-O 3.12Å; I177-P238 HydrophobicContact CD1-CG 3.8Å; P238-R240 VanDerWaalsContact C-N 3.28Å; P238-R240 PolarHBondContact O-N 3.18Å; P238-Y251 HydrophobicContact CB-CD1 3.98Å; P238-Y251 HydrophobicContact CB-CD2 3.45Å; P238-Y251 VanDerWaalsContact CB-CD2 3.45Å; P238-Y251 HydrophobicContact CB-CE1 4.19Å; P238-Y251 HydrophobicContact CB-CE2 3.68Å; P238-Y251 HydrophobicContact CB-CG 3.61Å; P238-Y251 HydrophobicContact CG-CD2 3.66Å; P238-Y251 HydrophobicContact CG-CE2 4.32Å; P238-Y251 HydrophobicContact CG-CG 3.82Å
239L95.5Very high91.9Very high6 Ų634.8 Ų34.83%0.03118%0.177CC..SBendtrans-63.6-33.2-179.2178.962.5000112.9H24 H142 V144 L174 H176 I197 I237H24-L239 HydrophobicContact CB-CD2 3.7Å; H142-L239 PolarHBondContact O-N 2.99Å; V144-L239 HydrophobicContact CG1-CB 3.9Å; V144-L239 HydrophobicContact CG1-CD1 4.37Å; V144-L239 HydrophobicContact CG1-CD2 4.12Å; V144-L239 HydrophobicContact CG1-CG 4.35Å; V144-L239 HydrophobicContact CG2-CB 3.89Å; V144-L239 HydrophobicContact CG2-CD1 4.12Å; L174-L239 HydrophobicContact CD2-CD1 4.19Å; H176-L239 PolarHBondContact CE1-O 3.45Å; I197-L239 HydrophobicContact CD1-CD1 4.5Å; I237-L239 PolarHBondContact O-N 3.42Å
240R94.8Very high92.1Very high114 Ų11434.6 Ų34.643%0.4317%0.173SC..SBendtrans-111.6151.3-175.1-68.9-71.3-165.9147.83.8110.8N17 S20 H176 P238 Y251N17-R240 HydrophobicContact CB-CB 4.48Å; N17-R240 HydrophobicContact CB-CG 4.19Å; N17-R240 WeakPolarHBondContact OD1-CG 3.44Å; S20-R240 PolarHBondContact OG-NH2 3.02Å; H176-R240 VanDerWaalsContact NE2-C 3.28Å; H176-R240 PolarHBondContact NE2-O 2.89Å; P238-R240 VanDerWaalsContact C-N 3.28Å; P238-R240 PolarHBondContact O-N 3.18Å; R240-Y251 WeakPolarHBondContact O-CE2 3.46Å
241A94.8Very high92.7Very high46 Ų4630.2 Ų30.238%0.3815%0.146SC..  trans-59.8145.917400000111.8H176 I243H176-A241 HydrophobicContact CB-CB 3.62Å; H176-A241 VanDerWaalsContact CD2-CA 3.48Å; H176-A241 WeakPolarHBondContact CD2-CA 3.41Å; H176-A241 VanDerWaalsContact CG-CA 3.48Å; A241-I243 PolarHBondContact O-N 3.15Å
242P95.2Very high92.5Very high7 Ų729.5 Ų29.55%0.04514%0.141CC..  trans-65.4133.5173.128.5-34.6000109.4H247 Q248 Y251 S279 L281P242-H247 HydrophobicContact CB-CB 3.65Å; P242-Q248 HydrophobicContact CB-CB 3.96Å; P242-Q248 HydrophobicContact CG-CB 4.14Å; P242-Q248 HydrophobicContact CG-CG 4.39Å; P242-Y251 HydrophobicContact CB-CD2 3.85Å; P242-Y251 HydrophobicContact CB-CE2 3.87Å; P242-Y251 HydrophobicContact CG-CD2 4.33Å; P242-S279 WeakPolarHBondContact CD-OG 3.39Å; P242-S279 WeakPolarHBondContact CG-OG 2.91Å; P242-L281 HydrophobicContact CB-CD1 4.28Å; P242-L281 HydrophobicContact CG-CB 4.02Å; P242-L281 HydrophobicContact CG-CD1 4.24Å; P242-L281 WeakPolarHBondContact O-CD1 3.31Å
243I95.1Very high91.7Very high47 Ų4730.6 Ų30.624%0.24115%0.145CC..SBendtrans-85.3-30177.9-50.9174.4000111.1E135 V136 A241 L287E135-I243 HydrophobicContact CB-CD1 3.92Å; E135-I243 HydrophobicContact CG-CD1 3.78Å; V136-I243 HydrophobicContact CG2-CD1 4.21Å; V136-I243 HydrophobicContact CG2-CG2 4.04Å; A241-I243 PolarHBondContact O-N 3.15Å; I243-L287 HydrophobicContact CG2-CD2 3.59Å
244T94Very high90.2Very high0 Ų031.7 Ų31.70%015%0.154CC..SBendtrans-138.3166.4-174.862.30000109.9V136 K246 H247 Q248 L287 E288 V291V136-T244 HydrophobicContact CG1-CG2 4.05Å; T244-K246 PolarHBondContact O-N 3.26Å; T244-H247 WeakPolarHBondContact O-CA 3.16Å; T244-H247 WeakPolarHBondContact O-CB 3.47Å; T244-H247 PolarHBondContact O-N 3.24Å; T244-H247 PolarHBondContact OG1-N 3.37Å; T244-H247 PolarHBondContact OG1-ND1 3.12Å; T244-Q248 PolarHBondContact O-N 2.95Å; T244-L287 HydrophobicContact CG2-CD2 4.07Å; T244-L287 HydrophobicContact CG2-CG 4.26Å; T244-E288 WeakPolarHBondContact CA-OE1 3.47Å; T244-E288 WeakPolarHBondContact CB-OE1 3.48Å; T244-V291 HydrophobicContact CG2-CG2 4.02Å
245R92Very high88.3Confident167 Ų16734.9 Ų34.963%0.6317%0.171SC*.Hα-helixtrans-59.4-36.3175.6-163.8174.6-146.5175.36.1111.9H247 Q248 L249 L281 E288R245-H247 VanDerWaalsContact C-N 3.3Å; R245-H247 PolarHBondContact O-N 3.3Å; R245-Q248 PolarHBondContact O-N 3.44Å; R245-L249 HydrophobicContact CG-CD1 4.5Å; R245-L249 WeakPolarHBondContact O-CG 3.47Å; R245-L249 PolarHBondContact O-N 2.92Å; R245-L281 HydrophobicContact CB-CD2 4.17Å; R245-E288 PolarHBondContact N-OE1 2.9Å
246K89.4Confident86Confident28 Ų2842.3 Ų42.312%0.12221%0.206CC..Hα-helixtrans-54.5-46171.3178.1175175.1173.20111.4L109 D110 C139 T244 L250L109-K246 HydrophobicContact CD2-CG 4.13Å; D110-K246 IonicContact OD2-NZ 2.97Å; D110-K246 PolarHBondContact OD2-NZ 3.42Å; C139-K246 PolarHBondContact SG-NZ 2.79Å; C139-K246 VanDerWaalsContact SG-NZ 3.42Å; T244-K246 PolarHBondContact O-N 3.26Å; K246-L250 VanDerWaalsContact O-CB 3.28Å; K246-L250 WeakPolarHBondContact O-CB 3.35Å; K246-L250 PolarHBondContact O-N 3.33Å
247H92.6Very high83.9Confident1 Ų147 Ų471%0.00524%0.238CC..Hα-helixtrans-66.5-44175.3-68.7131.5000112.5E135 V136 C138 P242 T244 R245 L249 L250 Y251E135-H247 PolarHBondContact O-CE1 3.05Å; V136-H247 PolarHBondContact O-CE1 3.29Å; V136-H247 VanDerWaalsContact O-CE1 3.26Å; C138-H247 PolarHBondContact O-NE2 3.14Å; P242-H247 HydrophobicContact CB-CB 3.65Å; T244-H247 WeakPolarHBondContact O-CA 3.16Å; T244-H247 WeakPolarHBondContact O-CB 3.47Å; T244-H247 PolarHBondContact O-N 3.24Å; T244-H247 PolarHBondContact OG1-N 3.37Å; T244-H247 PolarHBondContact OG1-ND1 3.12Å; R245-H247 VanDerWaalsContact C-N 3.3Å; R245-H247 PolarHBondContact O-N 3.3Å; H247-L249 VanDerWaalsContact C-N 3.29Å; H247-L249 PolarHBondContact O-N 3.38Å; H247-L250 CarbonylContact O-C 3.56Å; H247-L250 WeakPolarHBondContact O-CB 3.25Å; H247-L250 PolarHBondContact O-N 3.35Å; H247-L250 VanDerWaalsContact O-N 3.13Å; H247-Y251 HydrophobicContact CB-CE1 4.37Å; H247-Y251 HydrophobicContact CB-CE2 4.48Å; H247-Y251 VanDerWaalsContact O-CB 3.25Å; H247-Y251 WeakPolarHBondContact O-CB 3.25Å; H247-Y251 VanDerWaalsContact O-CD1 3.25Å; H247-Y251 WeakPolarHBondContact O-CD1 3.26Å; H247-Y251 PolarHBondContact O-N 3.42Å
248Q92.2Very high81.3Confident56 Ų5650.2 Ų50.226%0.26225%0.253SS..Hα-helixtrans-58.4-43.1-179.6-170.6-177.837.800111.6P242 T244 R245 Y251 S252 S279 L281P242-Q248 HydrophobicContact CB-CB 3.96Å; P242-Q248 HydrophobicContact CG-CB 4.14Å; P242-Q248 HydrophobicContact CG-CG 4.39Å; T244-Q248 PolarHBondContact O-N 2.95Å; R245-Q248 PolarHBondContact O-N 3.44Å; Q248-Y251 PolarHBondContact O-N 2.99Å; Q248-S252 PolarHBondContact O-N 3Å; Q248-S279 PolarHBondContact NE2-O 2.89Å; Q248-L281 HydrophobicContact CB-CB 4.33Å; Q248-L281 HydrophobicContact CB-CD2 4.24Å; Q248-L281 HydrophobicContact CG-CB 4.3Å
249L88.6Confident78.6Confident77 Ų7754.9 Ų54.940%0.40328%0.275SS..Hα-helixtrans-68.2-40.9175-67.3173.3000112.3R245 H247 Y251 S252 F253R245-L249 HydrophobicContact CG-CD1 4.5Å; R245-L249 WeakPolarHBondContact O-CG 3.47Å; R245-L249 PolarHBondContact O-N 2.92Å; H247-L249 VanDerWaalsContact C-N 3.29Å; H247-L249 PolarHBondContact O-N 3.38Å; L249-Y251 PolarHBondContact O-N 3.4Å; L249-S252 PolarHBondContact O-OG 3.21Å; L249-F253 PolarHBondContact O-N 3.13Å
250L87.7Confident76Confident37 Ų3763.5 Ų63.519%0.19431%0.312CS..Hα-helixtrans-59.8-37.7174.1177.965.6000111.4P141 K246 H247 F253P141-L250 HydrophobicContact CB-CG 4.38Å; K246-L250 VanDerWaalsContact O-CB 3.28Å; K246-L250 WeakPolarHBondContact O-CB 3.35Å; K246-L250 PolarHBondContact O-N 3.33Å; H247-L250 CarbonylContact O-C 3.56Å; H247-L250 WeakPolarHBondContact O-CB 3.25Å; H247-L250 PolarHBondContact O-N 3.35Å; H247-L250 VanDerWaalsContact O-N 3.13Å; L250-F253 WeakPolarHBondContact O-CD2 3.33Å; L250-F253 WeakPolarHBondContact O-CE2 3.49Å
251Y90.9Very high73.5Confident0 Ų063.6 Ų63.60%031%0.313CS..Hα-helixtrans-80-33.2-175.6-75.58.1000113.3P141 H142 P238 R240 P242 H247 Q248 L249 F253 G276 W277P141-Y251 HydrophobicContact CB-CD1 4.32Å; P141-Y251 WeakPolarHBondContact O-CE1 3.17Å; H142-Y251 AromaticContact ND1-CZ 3.89Å; H142-Y251 PolarHBondContact ND1-OH 3.26Å; P238-Y251 HydrophobicContact CB-CD1 3.98Å; P238-Y251 HydrophobicContact CB-CD2 3.45Å; P238-Y251 VanDerWaalsContact CB-CD2 3.45Å; P238-Y251 HydrophobicContact CB-CE1 4.19Å; P238-Y251 HydrophobicContact CB-CE2 3.68Å; P238-Y251 HydrophobicContact CB-CG 3.61Å; P238-Y251 HydrophobicContact CG-CD2 3.66Å; P238-Y251 HydrophobicContact CG-CE2 4.32Å; P238-Y251 HydrophobicContact CG-CG 3.82Å; R240-Y251 WeakPolarHBondContact O-CE2 3.46Å; P242-Y251 HydrophobicContact CB-CD2 3.85Å; P242-Y251 HydrophobicContact CB-CE2 3.87Å; P242-Y251 HydrophobicContact CG-CD2 4.33Å; H247-Y251 HydrophobicContact CB-CE1 4.37Å; H247-Y251 HydrophobicContact CB-CE2 4.48Å; H247-Y251 VanDerWaalsContact O-CB 3.25Å; H247-Y251 WeakPolarHBondContact O-CB 3.25Å; H247-Y251 VanDerWaalsContact O-CD1 3.25Å; H247-Y251 WeakPolarHBondContact O-CD1 3.26Å; H247-Y251 PolarHBondContact O-N 3.42Å; Q248-Y251 PolarHBondContact O-N 2.99Å; L249-Y251 PolarHBondContact O-N 3.4Å; Y251-F253 VanDerWaalsContact C-N 3.27Å; Y251-F253 WeakPolarHBondContact O-CD2 3.28Å; Y251-G276 CarbonylContact O-C 3.56Å; Y251-G276 WeakPolarHBondContact O-CA 3.16Å; Y251-W277 CarbonylContact C-O 3.6Å; Y251-W277 PolarHBondContact O-N 3.43Å
252S84.3Confident71.3Confident11 Ų1163.1 Ų63.18%0.07730%0.302CS..Hα-helixtrans-75.8-18.617774.40000112.6R184 Q248 L249 S254R184-S252 PolarHBondContact NH2-O 3.19Å; Q248-S252 PolarHBondContact O-N 3Å; L249-S252 PolarHBondContact O-OG 3.21Å; S252-S254 VanDerWaalsContact CB-OG 3.26Å; S252-S254 WeakPolarHBondContact CB-OG 3.35Å; S252-S254 PolarHBondContact O-N 2.92Å; S252-S254 VanDerWaalsContact O-N 3.13Å; S252-S254 PolarHBondContact O-OG 3.42Å; S252-S254 WeakPolarHBondContact OG-CB 3.43Å; S252-S254 PolarHBondContact OG-N 3.22Å; S252-S254 PolarHBondContact OG-OG 3.05Å
253F77.3Confident69Low26 Ų2667.3 Ų67.311%0.11433%0.331CS..THydrogen-bonded Turntrans55.127.5-177.3-75-123.5000112P141 L143 L249 L250 Y251 N255 F262 L275P141-F253 HydrophobicContact CB-CE2 3.7Å; P141-F253 HydrophobicContact CB-CZ 3.84Å; P141-F253 HydrophobicContact CG-CE2 4.26Å; P141-F253 HydrophobicContact CG-CZ 3.86Å; L143-F253 HydrophobicContact CD1-CZ 4.03Å; L143-F253 HydrophobicContact CD2-CE2 4.31Å; L249-F253 PolarHBondContact O-N 3.13Å; L250-F253 WeakPolarHBondContact O-CD2 3.33Å; L250-F253 WeakPolarHBondContact O-CE2 3.49Å; Y251-F253 VanDerWaalsContact C-N 3.27Å; Y251-F253 WeakPolarHBondContact O-CD2 3.28Å; F253-N255 VanDerWaalsContact C-N 3.34Å; F253-N255 PolarHBondContact O-N 2.99Å; F253-F262 HydrophobicContact CB-CD2 4.43Å; F253-F262 HydrophobicContact CB-CE2 3.85Å; F253-F262 HydrophobicContact CB-CZ 3.89Å; F253-F262 AromaticContact CD1-CD1 4Å; F253-F262 HydrophobicContact CD1-CD1 4Å; F253-F262 AromaticContact CD1-CE1 3.27Å; F253-F262 HydrophobicContact CD1-CE1 3.27Å; F253-F262 HydrophobicContact CD1-CE2 4.06Å; F253-F262 AromaticContact CD1-CZ 3.27Å; F253-F262 HydrophobicContact CD1-CZ 3.27Å; F253-F262 AromaticContact CE1-CE1 3.82Å; F253-F262 HydrophobicContact CE1-CE1 3.82Å; F253-F262 HydrophobicContact CE1-CZ 4.13Å; F253-F262 HydrophobicContact CG-CE1 4.34Å; F253-F262 HydrophobicContact CG-CE2 4.44Å; F253-F262 AromaticContact CG-CZ 3.97Å; F253-F262 HydrophobicContact CG-CZ 3.97Å; F253-F262 WeakPolarHBondContact O-CE2 3.38Å; F253-L275 WeakPolarHBondContact CB-O 3.22Å; F253-L275 HydrophobicContact CD1-CB 3.88Å; F253-L275 HydrophobicContact CE1-CB 3.89Å; F253-L275 WeakPolarHBondContact CG-O 3.36Å
254S61.7Low67.2Low40 Ų4068.7 Ų68.728%0.2835%0.345SS..  trans-82.3-4.3-171.4-52.80000114.8S252 E256S252-S254 VanDerWaalsContact CB-OG 3.26Å; S252-S254 WeakPolarHBondContact CB-OG 3.35Å; S252-S254 PolarHBondContact O-N 2.92Å; S252-S254 VanDerWaalsContact O-N 3.13Å; S252-S254 PolarHBondContact O-OG 3.42Å; S252-S254 WeakPolarHBondContact OG-CB 3.43Å; S252-S254 PolarHBondContact OG-N 3.22Å; S252-S254 PolarHBondContact OG-OG 3.05Å; S254-E256 PolarHBondContact O-N 2.6Å
255N53Low66.1Low69 Ų6972.3 Ų72.337%0.36936%0.361SS..  trans-73.4119.7-177.1-84.2-8.9000111.2F253 S257 Q258 E259F253-N255 VanDerWaalsContact C-N 3.34Å; F253-N255 PolarHBondContact O-N 2.99Å; N255-S257 PolarHBondContact O-N 2.78Å; N255-S257 VanDerWaalsContact O-N 3.1Å; N255-Q258 PolarHBondContact O-N 3.36Å; N255-E259 PolarHBondContact O-N 3.42Å
256E44.9Very low65.4Low157 Ų15769.7 Ų69.773%0.73435%0.351SS*.Hα-helixtrans-49.5-36.7179.4-69.3-173.816500114.1S254 Q258 E259S254-E256 PolarHBondContact O-N 2.6Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-E259 PolarHBondContact O-N 3.16Å; E256-E259 VanDerWaalsContact O-N 3.11Å
257S48.3Very low64.9Low98 Ų9868.6 Ų68.669%0.68535%0.347SS*.Hα-helixtrans-60.1-20.6178.2640000113.4N255N255-S257 PolarHBondContact O-N 2.78Å; N255-S257 VanDerWaalsContact O-N 3.1Å
258Q40.2Very low64.2Low68 Ų6869.6 Ų69.632%0.31835%0.354SS..Hα-helixtrans-109.1-15.7175.2-56.9-166.517.500113.6N255 E256 K260 R261 F262N255-Q258 PolarHBondContact O-N 3.36Å; E256-Q258 PolarHBondContact O-N 3.31Å; Q258-K260 PolarHBondContact O-N 3.19Å; Q258-R261 CarbonylContact O-C 3.59Å; Q258-R261 VanDerWaalsContact O-CA 3.31Å; Q258-R261 WeakPolarHBondContact O-CA 3.43Å; Q258-R261 WeakPolarHBondContact O-CB 3.37Å; Q258-R261 PolarHBondContact O-N 2.81Å; Q258-F262 HydrophobicContact CB-CD2 4.09Å; Q258-F262 HydrophobicContact CB-CE1 3.9Å; Q258-F262 HydrophobicContact CB-CE2 3.21Å; Q258-F262 HydrophobicContact CB-CZ 3.12Å; Q258-F262 HydrophobicContact CG-CE2 4.5Å; Q258-F262 HydrophobicContact CG-CZ 4.12Å; Q258-F262 WeakPolarHBondContact O-CD2 3.09Å; Q258-F262 WeakPolarHBondContact O-CE2 3.48Å; Q258-F262 WeakPolarHBondContact O-CG 3.47Å; Q258-F262 PolarHBondContact O-N 2.95Å
259E37.4Very low63.5Low97 Ų9771 Ų7145%0.45336%0.363SS..Hα-helixtrans-52.9-41.3172.7-77.3-170.3152.900112.5N255 E256 R261 F262 S263N255-E259 PolarHBondContact O-N 3.42Å; E256-E259 PolarHBondContact O-N 3.16Å; E256-E259 VanDerWaalsContact O-N 3.11Å; E259-R261 PolarHBondContact O-N 3.49Å; E259-F262 HydrophobicContact CG-CD2 4.45Å; E259-F262 PolarHBondContact O-N 3.41Å; E259-S263 PolarHBondContact O-N 2.94Å; E259-S263 PolarHBondContact O-OG 3.2Å
260K42Very low63Low188 Ų18872.5 Ų72.582%0.81737%0.371SS*.Hα-helixtrans-62.8-19173.2-72.4-171.5178.6-178.70114.3Q258Q258-K260 PolarHBondContact O-N 3.19Å
261R43Very low62.7Low115 Ų11574.8 Ų74.843%0.43438%0.38SS..Hα-helixtrans-94.1-16.4171.1-65.3-173.5-167.5174.23113Q258 E259 S264 F265Q258-R261 CarbonylContact O-C 3.59Å; Q258-R261 VanDerWaalsContact O-CA 3.31Å; Q258-R261 WeakPolarHBondContact O-CA 3.43Å; Q258-R261 WeakPolarHBondContact O-CB 3.37Å; Q258-R261 PolarHBondContact O-N 2.81Å; E259-R261 PolarHBondContact O-N 3.49Å; R261-S264 VanDerWaalsContact C-OG 3.32Å; R261-S264 PolarHBondContact O-OG 3.23Å; R261-F265 WeakPolarHBondContact O-CD2 3.4Å; R261-F265 WeakPolarHBondContact O-CE2 3.2Å
262F47Very low62.3Low37 Ų3776.7 Ų76.716%0.16239%0.392CS..Hα-helixtrans-87-39-175-60.9-41.3000112.3F253 Q258 E259 S264 F265 L275F253-F262 HydrophobicContact CB-CD2 4.43Å; F253-F262 HydrophobicContact CB-CE2 3.85Å; F253-F262 HydrophobicContact CB-CZ 3.89Å; F253-F262 AromaticContact CD1-CD1 4Å; F253-F262 HydrophobicContact CD1-CD1 4Å; F253-F262 AromaticContact CD1-CE1 3.27Å; F253-F262 HydrophobicContact CD1-CE1 3.27Å; F253-F262 HydrophobicContact CD1-CE2 4.06Å; F253-F262 AromaticContact CD1-CZ 3.27Å; F253-F262 HydrophobicContact CD1-CZ 3.27Å; F253-F262 AromaticContact CE1-CE1 3.82Å; F253-F262 HydrophobicContact CE1-CE1 3.82Å; F253-F262 HydrophobicContact CE1-CZ 4.13Å; F253-F262 HydrophobicContact CG-CE1 4.34Å; F253-F262 HydrophobicContact CG-CE2 4.44Å; F253-F262 AromaticContact CG-CZ 3.97Å; F253-F262 HydrophobicContact CG-CZ 3.97Å; F253-F262 WeakPolarHBondContact O-CE2 3.38Å; Q258-F262 HydrophobicContact CB-CD2 4.09Å; Q258-F262 HydrophobicContact CB-CE1 3.9Å; Q258-F262 HydrophobicContact CB-CE2 3.21Å; Q258-F262 HydrophobicContact CB-CZ 3.12Å; Q258-F262 HydrophobicContact CG-CE2 4.5Å; Q258-F262 HydrophobicContact CG-CZ 4.12Å; Q258-F262 WeakPolarHBondContact O-CD2 3.09Å; Q258-F262 WeakPolarHBondContact O-CE2 3.48Å; Q258-F262 WeakPolarHBondContact O-CG 3.47Å; Q258-F262 PolarHBondContact O-N 2.95Å; E259-F262 HydrophobicContact CG-CD2 4.45Å; E259-F262 PolarHBondContact O-N 3.41Å; F262-S264 PolarHBondContact O-N 3.45Å; F262-F265 PolarHBondContact O-N 3.39Å; F262-F265 VanDerWaalsContact O-N 3.14Å; F262-L275 HydrophobicContact CD1-CD1 4.43Å
263S48.5Very low62.4Low94 Ų9476.5 Ų76.566%0.65739%0.39SS*.THydrogen-bonded Turntrans-60.4-9.1172.643.80000113.8E259E259-S263 PolarHBondContact O-N 2.94Å; E259-S263 PolarHBondContact O-OG 3.2Å
264S56.5Low62.9Low77 Ų7776 Ų7654%0.53839%0.389SS..THydrogen-bonded Turntrans-92.8-13176.650.90000115.8R261 F262 R266R261-S264 VanDerWaalsContact C-OG 3.32Å; R261-S264 PolarHBondContact O-OG 3.23Å; F262-S264 PolarHBondContact O-N 3.45Å; S264-R266 PolarHBondContact O-N 3.21Å; S264-R266 VanDerWaalsContact O-N 3.08Å
265F69.9Low64.2Low75 Ų7575.1 Ų75.133%0.32938%0.38SS..  trans-79.3102.2178.4-71.9-76.3000110.4F60 R261 F262 I273 L275F60-F265 HydrophobicContact CE2-CD1 4.04Å; F60-F265 HydrophobicContact CE2-CE1 4.42Å; R261-F265 WeakPolarHBondContact O-CD2 3.4Å; R261-F265 WeakPolarHBondContact O-CE2 3.2Å; F262-F265 PolarHBondContact O-N 3.39Å; F262-F265 VanDerWaalsContact O-N 3.14Å; F265-I273 HydrophobicContact CB-CB 4.43Å; F265-I273 PolarHBondContact O-N 3.32Å; F265-L275 HydrophobicContact CB-CD1 4.44Å; F265-L275 HydrophobicContact CD2-CD1 3.41Å; F265-L275 VanDerWaalsContact CD2-CD1 3.41Å; F265-L275 HydrophobicContact CE2-CD1 3.7Å; F265-L275 HydrophobicContact CG-CD1 3.92Å; F265-L275 HydrophobicContact CZ-CD1 4.43Å
266R77.5Confident65.9Low112 Ų11271.8 Ų71.842%0.42336%0.363SS..BIsolated β-bridgetrans-111.9144172.4-61.5-173.8177.8-102.2-0.2109.3P91 S264 N270 K271P91-R266 WeakPolarHBondContact CA-O 3.45Å; P91-R266 VanDerWaalsContact CB-O 3.29Å; P91-R266 WeakPolarHBondContact CB-O 3.19Å; S264-R266 PolarHBondContact O-N 3.21Å; S264-R266 VanDerWaalsContact O-N 3.08Å; R266-N270 WeakPolarHBondContact CD-O 3.17Å; R266-N270 WeakPolarHBondContact CD-OD1 3.46Å; R266-N270 PolarHBondContact NH1-O 3.14Å; R266-K271 CarbonylContact C-O 3.58Å; R266-K271 WeakPolarHBondContact CA-O 3.15Å
267N79.7Confident68.2Low6 Ų664.3 Ų64.33%0.03233%0.328CS..  trans-76.4179.9173.164.915.2000111.3Y88 L90 L269 N270 K271 I273Y88-N267 WeakPolarHBondContact O-CB 3.48Å; Y88-N267 PolarHBondContact O-ND2 3.34Å; L90-N267 WeakPolarHBondContact O-CA 3.47Å; N267-L269 PolarHBondContact O-N 3.2Å; N267-L269 WeakPolarHBondContact OD1-CA 3.08Å; N267-L269 WeakPolarHBondContact OD1-CB 3.47Å; N267-L269 PolarHBondContact OD1-N 2.72Å; N267-N270 WeakPolarHBondContact O-CA 3.45Å; N267-N270 PolarHBondContact O-N 3.49Å; N267-N270 PolarHBondContact OD1-N 2.78Å; N267-K271 PolarHBondContact N-O 2.97Å; N267-K271 WeakPolarHBondContact OD1-CB 3.14Å; N267-K271 PolarHBondContact OD1-N 2.97Å; N267-K271 PolarHBondContact OD1-O 2.73Å; N267-I273 HydrophobicContact CB-CD1 3.82Å; N267-I273 HydrophobicContact CB-CG1 3.89Å
268S77.2Confident70.3Confident22 Ų2259.8 Ų59.815%0.15430%0.296CS..THydrogen-bonded Turntrans-55.5-21.6175.7-51.50000114.1L90 N270L90-S268 PolarHBondContact O-N 3.48Å; L90-S268 PolarHBondContact O-OG 3.26Å; S268-N270 VanDerWaalsContact C-N 3.32Å
269L77.6Confident72.9Confident84 Ų8456.7 Ų56.744%0.4428%0.282SS..THydrogen-bonded Turntrans-93.312.5177.2-57.1174.3000112.9I87 Y88 N267 K271I87-L269 HydrophobicContact CD1-CD2 4.24Å; I87-L269 HydrophobicContact CG1-CG 4.42Å; Y88-L269 HydrophobicContact CD1-CD1 3.82Å; Y88-L269 HydrophobicContact CE1-CD1 3.56Å; N267-L269 PolarHBondContact O-N 3.2Å; N267-L269 WeakPolarHBondContact OD1-CA 3.08Å; N267-L269 WeakPolarHBondContact OD1-CB 3.47Å; N267-L269 PolarHBondContact OD1-N 2.72Å; L269-K271 HydrophobicContact CB-CG 4.38Å; L269-K271 PolarHBondContact O-N 3.31Å; L269-K271 VanDerWaalsContact O-N 3.11Å
270N78.4Confident75.5Confident109 Ų10955.5 Ų55.558%0.58328%0.281SS*.SBendtrans58.819.1-175.8-158.335.6000113.8R266 N267 S268R266-N270 WeakPolarHBondContact CD-O 3.17Å; R266-N270 WeakPolarHBondContact CD-OD1 3.46Å; R266-N270 PolarHBondContact NH1-O 3.14Å; N267-N270 WeakPolarHBondContact O-CA 3.45Å; N267-N270 PolarHBondContact O-N 3.49Å; N267-N270 PolarHBondContact OD1-N 2.78Å; S268-N270 VanDerWaalsContact C-N 3.32Å
271K81.2Confident78Confident86 Ų8648 Ų4837%0.37425%0.25SS..  trans-90.5148.4175.6-67.8-171.2176.2-172.10110.6R266 N267 L269R266-K271 CarbonylContact C-O 3.58Å; R266-K271 WeakPolarHBondContact CA-O 3.15Å; N267-K271 PolarHBondContact N-O 2.97Å; N267-K271 WeakPolarHBondContact OD1-CB 3.14Å; N267-K271 PolarHBondContact OD1-N 2.97Å; N267-K271 PolarHBondContact OD1-O 2.73Å; L269-K271 HydrophobicContact CB-CG 4.38Å; L269-K271 PolarHBondContact O-N 3.31Å; L269-K271 VanDerWaalsContact O-N 3.11Å
272P83.2Confident80.3Confident40 Ų4053.8 Ų53.826%0.2627%0.272SS..BIsolated β-bridgetrans-65.3141.4-178.627.7-35000111.9
273I85.9Confident82.3Confident6 Ų655.2 Ų55.23%0.03129%0.29CS..  trans-105.9123.6168.5-58.4166.5000108.2F60 F89 P234 W236 F265 N267 L275F60-I273 HydrophobicContact CE2-CD1 4.47Å; F60-I273 HydrophobicContact CZ-CD1 4.34Å; F60-I273 HydrophobicContact CZ-CG2 4.29Å; F89-I273 WeakPolarHBondContact O-CD1 3.17Å; P234-I273 HydrophobicContact CG-CG1 4.22Å; W236-I273 VanDerWaalsContact CD1-CG2 3.5Å; F265-I273 HydrophobicContact CB-CB 4.43Å; F265-I273 PolarHBondContact O-N 3.32Å; N267-I273 HydrophobicContact CB-CD1 3.82Å; N267-I273 HydrophobicContact CB-CG1 3.89Å; I273-L275 HydrophobicContact CG2-CD2 4.26Å
274I88.7Confident84.5Confident17 Ų1753.4 Ų53.49%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-83.4120.9178.9-55.5-55.8000109.8Y192 T233 P234 C235 W236 W277Y192-I274 HydrophobicContact CD1-CG1 4.35Å; Y192-I274 HydrophobicContact CD2-CD1 4.21Å; Y192-I274 HydrophobicContact CD2-CG1 4.49Å; Y192-I274 HydrophobicContact CE1-CD1 4.12Å; Y192-I274 HydrophobicContact CE1-CG1 4.13Å; Y192-I274 HydrophobicContact CE2-CD1 3.63Å; Y192-I274 HydrophobicContact CE2-CG1 4.28Å; T233-I274 HydrophobicContact CG2-CG1 3.94Å; P234-I274 PolarHBondContact O-N 3.26Å; C235-I274 CarbonylContact C-O 3.52Å; C235-I274 WeakPolarHBondContact CA-O 3.44Å; C235-I274 HydrophobicContact CB-CB 3.72Å; C235-I274 HydrophobicContact CB-CG2 4.24Å; W236-I274 PolarHBondContact N-O 3.22Å; I274-W277 HydrophobicContact CG2-CE3 4.27Å; I274-W277 HydrophobicContact CG2-CZ3 3.91Å
275L87.3Confident86.2Confident20 Ų2054.2 Ų54.211%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-105.5130.8179.6-67.4-178.5000111.7F60 R184 W236 F253 F262 F265 I273F60-L275 HydrophobicContact CE1-CD2 3.77Å; F60-L275 HydrophobicContact CZ-CD2 3.79Å; R184-L275 PolarHBondContact NH2-O 3.08Å; W236-L275 HydrophobicContact CB-CD2 3.77Å; W236-L275 HydrophobicContact CG-CD2 3.98Å; F253-L275 WeakPolarHBondContact CB-O 3.22Å; F253-L275 HydrophobicContact CD1-CB 3.88Å; F253-L275 HydrophobicContact CE1-CB 3.89Å; F253-L275 WeakPolarHBondContact CG-O 3.36Å; F262-L275 HydrophobicContact CD1-CD1 4.43Å; F265-L275 HydrophobicContact CB-CD1 4.44Å; F265-L275 HydrophobicContact CD2-CD1 3.41Å; F265-L275 VanDerWaalsContact CD2-CD1 3.41Å; F265-L275 HydrophobicContact CE2-CD1 3.7Å; F265-L275 HydrophobicContact CG-CD1 3.92Å; F265-L275 HydrophobicContact CZ-CD1 4.43Å; I273-L275 HydrophobicContact CG2-CD2 4.26Å
276G89.7Confident87.4Confident0 Ų056.1 Ų56.10%029%0.29CS..  trans77.2166.7-176.600000113.1R184 W236 Y251R184-G276 PolarHBondContact NH1-O 3.34Å; R184-G276 PolarHBondContact NH2-O 3.08Å; W236-G276 WeakPolarHBondContact O-CA 3.43Å; W236-G276 PolarHBondContact O-N 2.88Å; Y251-G276 CarbonylContact O-C 3.56Å; Y251-G276 WeakPolarHBondContact O-CA 3.16Å
277W93.1Very high88.2Confident0 Ų052.3 Ų52.30%028%0.278CS..  trans-152.3143.6177.1-148.3-91.8000111.4C148 I177 K178 D181 F194 C235 I237 Y251 I274 S279C148-W277 HydrophobicContact CB-CH2 3.45Å; C148-W277 VanDerWaalsContact CB-CH2 3.45Å; C148-W277 HydrophobicContact CB-CZ2 4.48Å; C148-W277 HydrophobicContact CB-CZ3 3.84Å; I177-W277 HydrophobicContact CD1-CB 4.37Å; I177-W277 HydrophobicContact CG2-CG 4.27Å; K178-W277 PolarHBondContact O-NE1 3.1Å; D181-W277 HydrophobicContact CB-CH2 4.39Å; D181-W277 HydrophobicContact CB-CZ2 3.96Å; F194-W277 HydrophobicContact CB-CH2 4.13Å; F194-W277 HydrophobicContact CB-CZ2 3.5Å; F194-W277 HydrophobicContact CG-CZ2 4.45Å; C235-W277 HydrophobicContact CB-CE3 4.26Å; C235-W277 HydrophobicContact CB-CZ3 3.9Å; I237-W277 HydrophobicContact CB-CB 3.99Å; I237-W277 HydrophobicContact CG2-CB 3.74Å; I237-W277 HydrophobicContact CG2-CD2 3.94Å; I237-W277 HydrophobicContact CG2-CE3 3.75Å; I237-W277 HydrophobicContact CG2-CG 3.94Å; Y251-W277 CarbonylContact C-O 3.6Å; Y251-W277 PolarHBondContact O-N 3.43Å; I274-W277 HydrophobicContact CG2-CE3 4.27Å; I274-W277 HydrophobicContact CG2-CZ3 3.91Å; W277-S279 PolarHBondContact O-N 2.65Å
278P93.4Very high88.9Confident3 Ų353.8 Ų53.82%0.01929%0.285CS..  trans-62.3136.5173.523.3-32.5000111.8K178 D181K178-P278 HydrophobicContact CB-CG 4.37Å; K178-P278 HydrophobicContact CD-CB 4.24Å; K178-P278 PolarHBondContact N-O 2.77Å; K178-P278 VanDerWaalsContact N-O 3.09Å; D181-P278 HydrophobicContact CB-CG 4.2Å; D181-P278 WeakPolarHBondContact OD1-CD 3.39Å; D181-P278 WeakPolarHBondContact OD1-CG 3.36Å
279S92.8Very high89.7Confident3 Ų356.6 Ų56.62%0.02130%0.296CS..BIsolated β-bridgetrans-135.5152.5-177.151.60000112.3H176 P242 Q248 W277H176-S279 CarbonylContact O-C 3.53Å; H176-S279 WeakPolarHBondContact O-CA 3.28Å; H176-S279 WeakPolarHBondContact O-CB 3.43Å; P242-S279 WeakPolarHBondContact CD-OG 3.39Å; P242-S279 WeakPolarHBondContact CG-OG 2.91Å; Q248-S279 PolarHBondContact NE2-O 2.89Å; W277-S279 PolarHBondContact O-N 2.65Å
280T93.8Very high90.6Very high72 Ų7253.4 Ų53.444%0.44228%0.279SS..  trans-79.7126.7175.3-57.10000109.5H176H176-T280 PolarHBondContact O-N 2.78Å
281L93.6Very high91.3Very high31 Ų3149 Ų4916%0.16226%0.256CS..  trans-103.6124.2173.4172.463.1000109.1P242 R245 Q248 A283P242-L281 HydrophobicContact CB-CD1 4.28Å; P242-L281 HydrophobicContact CG-CB 4.02Å; P242-L281 HydrophobicContact CG-CD1 4.24Å; P242-L281 WeakPolarHBondContact O-CD1 3.31Å; R245-L281 HydrophobicContact CB-CD2 4.17Å; Q248-L281 HydrophobicContact CB-CB 4.33Å; Q248-L281 HydrophobicContact CB-CD2 4.24Å; Q248-L281 HydrophobicContact CG-CB 4.3Å; L281-A283 HydrophobicContact CD2-CB 4.3Å; L281-A283 HydrophobicContact CG-CB 4.24Å; L281-A283 PolarHBondContact O-N 3.25Å
282R92.4Very high91.8Very high235 Ų23546.5 Ų46.589%0.88725%0.247SC*.  trans-91.591.5162.8-64.9-172.4-173.9-165.72.7107.5
283A88.3Confident92.3Very high67 Ų6744.8 Ų44.855%0.55424%0.236SC*.  trans-67.1138.8-17300000111.6L281L281-A283 HydrophobicContact CD2-CB 4.3Å; L281-A283 HydrophobicContact CG-CB 4.24Å; L281-A283 PolarHBondContact O-N 3.25Å
284C94.3Very high92.5Very high57 Ų5746.2 Ų46.239%0.38525%0.251SS..  trans-111.5105.2170.41770000108.1E286 L287 E288C284-E286 VanDerWaalsContact C-N 3.3Å; C284-E286 PolarHBondContact O-N 3.46Å; C284-L287 HydrophobicContact CB-CB 3.95Å; C284-L287 PolarHBondContact O-N 3.34Å; C284-L287 VanDerWaalsContact O-N 3.08Å; C284-E288 WeakPolarHBondContact O-CG 3.23Å; C284-E288 PolarHBondContact O-N 2.7Å
285P93.2Very high92.5Very high93 Ų9349.3 Ų49.360%0.60426%0.262SS*.Hα-helixtrans-54.5-44-175.7-28.135.6000113.2L287 E288 E289P285-L287 VanDerWaalsContact C-N 3.31Å; P285-L287 PolarHBondContact O-N 2.62Å; P285-E288 WeakPolarHBondContact O-CB 3.5Å; P285-E288 PolarHBondContact O-N 2.89Å; P285-E288 VanDerWaalsContact O-N 3.17Å; P285-E289 WeakPolarHBondContact O-CG 3.42Å; P285-E289 PolarHBondContact O-N 3.17Å
286E93.3Very high92.4Very high115 Ų11550 Ų5054%0.53727%0.268SS..Hα-helixtrans-60.1-39.8178.2-63.5-175.9-158.300112.8C284 E289 L290 R455C284-E286 VanDerWaalsContact C-N 3.3Å; C284-E286 PolarHBondContact O-N 3.46Å; E286-E289 PolarHBondContact O-N 2.68Å; E286-L290 VanDerWaalsContact O-CG 3.32Å; E286-L290 WeakPolarHBondContact O-CG 3.47Å; E286-L290 PolarHBondContact O-N 3.2Å; E286-R455 IonicContact OE2-NH2 3.2Å; E286-R455 PolarHBondContact OE2-NH2 2.77Å
287L95.1Very high91.8Very high32 Ų3254.8 Ų54.817%0.16829%0.294CS..Hα-helixtrans-70.5-38.3178.3-173.561.4000111.2L132 V136 I243 T244 C284 P285 E289 L290 V291L132-L287 HydrophobicContact CD1-CD1 4.46Å; L132-L287 HydrophobicContact CD2-CD1 4.18Å; V136-L287 HydrophobicContact CG1-CD1 4.11Å; V136-L287 HydrophobicContact CG1-CD2 4.3Å; V136-L287 HydrophobicContact CG1-CG 4.35Å; V136-L287 HydrophobicContact CG2-CD2 4.21Å; I243-L287 HydrophobicContact CG2-CD2 3.59Å; T244-L287 HydrophobicContact CG2-CD2 4.07Å; T244-L287 HydrophobicContact CG2-CG 4.26Å; C284-L287 HydrophobicContact CB-CB 3.95Å; C284-L287 PolarHBondContact O-N 3.34Å; C284-L287 VanDerWaalsContact O-N 3.08Å; P285-L287 VanDerWaalsContact C-N 3.31Å; P285-L287 PolarHBondContact O-N 2.62Å; L287-E289 VanDerWaalsContact C-N 3.3Å; L287-E289 PolarHBondContact O-N 2.96Å; L287-L290 PolarHBondContact O-N 2.87Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 3Å
288E94.2Very high91.3Very high37 Ų3759.9 Ų59.917%0.17333%0.329CS..Hα-helixtrans-61.5-40.9174-65.6-67170.200111.1T244 R245 C284 P285 V291 N292T244-E288 WeakPolarHBondContact CA-OE1 3.47Å; T244-E288 WeakPolarHBondContact CB-OE1 3.48Å; R245-E288 PolarHBondContact N-OE1 2.9Å; C284-E288 WeakPolarHBondContact O-CG 3.23Å; C284-E288 PolarHBondContact O-N 2.7Å; P285-E288 WeakPolarHBondContact O-CB 3.5Å; P285-E288 PolarHBondContact O-N 2.89Å; P285-E288 VanDerWaalsContact O-N 3.17Å; E288-V291 PolarHBondContact O-N 3.04Å; E288-N292 PolarHBondContact O-N 3.49Å; E288-N292 PolarHBondContact O-ND2 3.08Å
289E94.6Very high90.8Very high81 Ų8164.5 Ų64.538%0.37935%0.353SS..Hα-helixtrans-62.3-44.1174.8-70.5173.6-173.100112P285 E286 L287 V291 N292 V293 L299 C301P285-E289 WeakPolarHBondContact O-CG 3.42Å; P285-E289 PolarHBondContact O-N 3.17Å; E286-E289 PolarHBondContact O-N 2.68Å; L287-E289 VanDerWaalsContact C-N 3.3Å; L287-E289 PolarHBondContact O-N 2.96Å; E289-V291 PolarHBondContact O-N 3.28Å; E289-N292 PolarHBondContact O-N 2.96Å; E289-N292 VanDerWaalsContact O-N 3.15Å; E289-V293 PolarHBondContact O-N 3.24Å; E289-L299 WeakPolarHBondContact CA-O 3.48Å; E289-C301 HydrophobicContact CB-CB 3.9Å; E289-C301 WeakPolarHBondContact OE2-CB 3.32Å
290L95.6Very high90.5Very high18 Ų1865.4 Ų65.49%0.09436%0.359CS..Hα-helixtrans-64.2-39.4178.5-70.8172.4000112.8A130 L132 E286 L287 N292 V293 F457A130-L290 HydrophobicContact CB-CB 4.17Å; A130-L290 HydrophobicContact CB-CD2 4.22Å; A130-L290 WeakPolarHBondContact CB-O 3.48Å; L132-L290 HydrophobicContact CD2-CB 3.99Å; L132-L290 HydrophobicContact CD2-CD1 4.19Å; E286-L290 VanDerWaalsContact O-CG 3.32Å; E286-L290 WeakPolarHBondContact O-CG 3.47Å; E286-L290 PolarHBondContact O-N 3.2Å; L287-L290 PolarHBondContact O-N 2.87Å; L290-N292 PolarHBondContact O-N 3.3Å; L290-V293 WeakPolarHBondContact O-CB 3.26Å; L290-V293 PolarHBondContact O-N 3.15Å; L290-F457 HydrophobicContact CD2-CE1 4.05Å; L290-F457 HydrophobicContact CD2-CZ 4.09Å
291V93.4Very high90.3Very high15 Ų1563.4 Ų63.49%0.09135%0.348CS..Hα-helixtrans-61.4-27.3176.2169.40000111.9L132 V136 T244 L287 E288 E289 R295L132-V291 HydrophobicContact CD1-CB 4.43Å; L132-V291 HydrophobicContact CD1-CG2 3.57Å; V136-V291 HydrophobicContact CG1-CG2 3.89Å; T244-V291 HydrophobicContact CG2-CG2 4.02Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 3Å; E288-V291 PolarHBondContact O-N 3.04Å; E289-V291 PolarHBondContact O-N 3.28Å; V291-R295 WeakPolarHBondContact O-CD 3.43Å
292N92.6Very high90.3Very high34 Ų3462.5 Ų62.518%0.18234%0.343CS..THydrogen-bonded Turntrans-90.9-6.1-179.7-74.3-61.6000114.2E288 E289 L290 G294 R295 S296 L299E288-N292 PolarHBondContact O-N 3.49Å; E288-N292 PolarHBondContact O-ND2 3.08Å; E289-N292 PolarHBondContact O-N 2.96Å; E289-N292 VanDerWaalsContact O-N 3.15Å; L290-N292 PolarHBondContact O-N 3.3Å; N292-G294 PolarHBondContact O-N 3.48Å; N292-R295 PolarHBondContact O-N 3.42Å; N292-S296 PolarHBondContact O-N 3Å; N292-L299 HydrophobicContact CB-CB 3.79Å; N292-L299 WeakPolarHBondContact CB-O 3.45Å
293V93.6Very high90.3Very high5 Ų554 Ų543%0.0332%0.319CS..THydrogen-bonded Turntrans-59.4128.4173176.40000109.9A130 E289 L290 R295 F302 F457A130-V293 HydrophobicContact CB-CB 4.29Å; E289-V293 PolarHBondContact O-N 3.24Å; L290-V293 WeakPolarHBondContact O-CB 3.26Å; L290-V293 PolarHBondContact O-N 3.15Å; V293-R295 PolarHBondContact O-N 3.32Å; V293-F302 HydrophobicContact CG1-CD2 4.23Å; V293-F302 HydrophobicContact CG1-CE2 4.12Å; V293-F302 HydrophobicContact CG2-CD2 4.19Å; V293-F302 HydrophobicContact CG2-CE2 4.25Å; V293-F457 HydrophobicContact CG1-CD1 3.91Å; V293-F457 HydrophobicContact CG1-CE1 4.11Å; V293-F457 HydrophobicContact CG2-CE1 4.23Å
294G90.1Very high90.5Very high35 Ų3556.3 Ų56.336%0.36132%0.319SS..THydrogen-bonded Turntrans74.55.2-175.800000115L128 N292L128-G294 WeakPolarHBondContact O-CA 3.4Å; L128-G294 PolarHBondContact O-N 3.23Å; N292-G294 PolarHBondContact O-N 3.48Å
295R87.2Confident90.5Very high82 Ų8258.9 Ų58.931%0.30933%0.328SS..THydrogen-bonded Turntrans-123-45.7-177.8-58.2-177.2-172.4-1781.6113.4D110 V291 N292 V293D110-R295 IonicContact OD1-CZ 3.9Å; D110-R295 IonicContact OD1-NH1 3.14Å; D110-R295 PolarHBondContact OD1-NH1 2.77Å; D110-R295 VanDerWaalsContact OD1-NH1 3.14Å; D110-R295 IonicContact OD2-CZ 3.26Å; D110-R295 VanDerWaalsContact OD2-CZ 3.26Å; D110-R295 IonicContact OD2-NE 3.37Å; D110-R295 IonicContact OD2-NH1 2.78Å; D110-R295 PolarHBondContact OD2-NH1 2.73Å; D110-R295 IonicContact OD2-NH2 3.74Å; V291-R295 WeakPolarHBondContact O-CD 3.43Å; N292-R295 PolarHBondContact O-N 3.42Å; V293-R295 PolarHBondContact O-N 3.32Å
296S85.3Confident90.6Very high34 Ų3457.5 Ų57.524%0.23831%0.314CS..  trans-142.3111.1-179.2-175.10000110.2N292 S298 L299 S300N292-S296 PolarHBondContact O-N 3Å; S296-S298 VanDerWaalsContact C-N 3.3Å; S296-S298 PolarHBondContact O-N 2.97Å; S296-S298 PolarHBondContact OG-OG 3.39Å; S296-L299 PolarHBondContact O-N 3.26Å; S296-L299 VanDerWaalsContact O-N 3.17Å; S296-S300 WeakPolarHBondContact O-CB 3.41Å; S296-S300 PolarHBondContact O-N 3.25Å; S296-S300 VanDerWaalsContact O-N 3.11Å
297L78.9Confident90.7Very high102 Ų10252.8 Ų52.853%0.53429%0.292SS..G310 helixtrans-58.2-42.7-177.9-173.564.4000111.9L299 S300 L307L297-L299 PolarHBondContact O-N 3.39Å; L297-S300 PolarHBondContact O-N 3.26Å; L297-S300 PolarHBondContact O-OG 3.41Å; L297-S300 VanDerWaalsContact O-OG 3.07Å; L297-L307 HydrophobicContact CD1-CD1 3.41Å; L297-L307 VanDerWaalsContact CD1-CD1 3.41Å
298S81.4Confident90.7Very high106 Ų10657.2 Ų57.274%0.74131%0.31SS*.G310 helixtrans-68.5-16.4-178.555.60000115S296S296-S298 VanDerWaalsContact C-N 3.3Å; S296-S298 PolarHBondContact O-N 2.97Å; S296-S298 PolarHBondContact OG-OG 3.39Å
299L83.4Confident90.9Very high100 Ų10059.2 Ų59.252%0.52432%0.318SS..G310 helixtrans-114.90.7-178.2-59.9177.6000112.1E289 N292 S296 L297E289-L299 WeakPolarHBondContact CA-O 3.48Å; N292-L299 HydrophobicContact CB-CB 3.79Å; N292-L299 WeakPolarHBondContact CB-O 3.45Å; S296-L299 PolarHBondContact O-N 3.26Å; S296-L299 VanDerWaalsContact O-N 3.17Å; L297-L299 PolarHBondContact O-N 3.39Å
300S86Confident91.1Very high22 Ų2255.7 Ų55.715%0.15430%0.302CS..SBendtrans-89.3159.8-177.576.10000111.8S296 L297 F302S296-S300 WeakPolarHBondContact O-CB 3.41Å; S296-S300 PolarHBondContact O-N 3.25Å; S296-S300 VanDerWaalsContact O-N 3.11Å; L297-S300 PolarHBondContact O-N 3.26Å; L297-S300 PolarHBondContact O-OG 3.41Å; L297-S300 VanDerWaalsContact O-OG 3.07Å; S300-F302 PolarHBondContact O-N 3.33Å; S300-F302 PolarHBondContact OG-O 2.87Å
301C89.4Confident91.2Very high30 Ų3056.2 Ų56.220%0.20331%0.307CS..SBendtrans-76.4-2.2179.263.70000114.7E289E289-C301 HydrophobicContact CB-CB 3.9Å; E289-C301 WeakPolarHBondContact OE2-CB 3.32Å
302F93.8Very high91.4Very high12 Ų1260.6 Ų60.65%0.05333%0.329CS..  trans-110.9132.6-175.8-67.4-68.7000111.6V293 S300 E306 L307 H310 R425 F427 F457V293-F302 HydrophobicContact CG1-CD2 4.23Å; V293-F302 HydrophobicContact CG1-CE2 4.12Å; V293-F302 HydrophobicContact CG2-CD2 4.19Å; V293-F302 HydrophobicContact CG2-CE2 4.25Å; S300-F302 PolarHBondContact O-N 3.33Å; S300-F302 PolarHBondContact OG-O 2.87Å; F302-E306 HydrophobicContact CD1-CB 4.28Å; F302-L307 HydrophobicContact CB-CD1 4.5Å; F302-L307 HydrophobicContact CB-CD2 3.75Å; F302-L307 HydrophobicContact CB-CG 3.88Å; F302-L307 HydrophobicContact CD2-CD2 4.18Å; F302-L307 HydrophobicContact CG-CD2 4.09Å; F302-H310 AromaticContact CD1-CD2 3.96Å; F302-H310 AromaticContact CD1-NE2 3.81Å; F302-H310 AromaticContact CE1-CD2 3.78Å; F302-H310 AromaticContact CE1-NE2 3.4Å; F302-H310 WeakPolarHBondContact CE1-NE2 3.41Å; F302-R425 VanDerWaalsContact CE1-NH1 3.32Å; F302-F427 HydrophobicContact CE1-CE1 4.3Å; F302-F427 HydrophobicContact CE1-CZ 4.08Å; F302-F427 HydrophobicContact CE2-CE1 4.43Å; F302-F427 AromaticContact CZ-CE1 3.73Å; F302-F427 HydrophobicContact CZ-CE1 3.73Å; F302-F427 AromaticContact CZ-CZ 3.8Å; F302-F427 HydrophobicContact CZ-CZ 3.8Å; F302-F457 AromaticContact CE2-CD1 3.94Å; F302-F457 HydrophobicContact CE2-CD1 3.94Å; F302-F457 AromaticContact CE2-CE1 3.52Å; F302-F457 HydrophobicContact CE2-CE1 3.52Å; F302-F457 HydrophobicContact CE2-CE2 4.25Å; F302-F457 HydrophobicContact CE2-CG 4.45Å; F302-F457 AromaticContact CE2-CZ 3.69Å; F302-F457 HydrophobicContact CE2-CZ 3.69Å; F302-F457 HydrophobicContact CZ-CD1 4.33Å; F302-F457 HydrophobicContact CZ-CD2 4.21Å; F302-F457 AromaticContact CZ-CE1 3.84Å; F302-F457 HydrophobicContact CZ-CE1 3.84Å; F302-F457 AromaticContact CZ-CE2 3.72Å; F302-F457 HydrophobicContact CZ-CE2 3.72Å; F302-F457 HydrophobicContact CZ-CG 4.49Å; F302-F457 AromaticContact CZ-CZ 3.5Å; F302-F457 HydrophobicContact CZ-CZ 3.5Å
303S93Very high91.7Very high56 Ų5660.3 Ų60.339%0.39233%0.325SS..  trans-73.1159.3167.264.70000111.8L305 E306 L307S303-L305 PolarHBondContact O-N 3.33Å; S303-E306 WeakPolarHBondContact CB-OE2 3.46Å; S303-E306 PolarHBondContact N-OE2 2.99Å; S303-E306 PolarHBondContact O-N 2.99Å; S303-E306 VanDerWaalsContact O-N 3.13Å; S303-E306 VanDerWaalsContact OG-CG 3.27Å; S303-E306 WeakPolarHBondContact OG-CG 3.4Å; S303-E306 PolarHBondContact OG-N 3.42Å; S303-E306 PolarHBondContact OG-OE2 3.23Å; S303-L307 WeakPolarHBondContact O-CG 3.38Å; S303-L307 PolarHBondContact O-N 2.98Å
304E92.4Very high92Very high116 Ų11660 Ų6054%0.54232%0.324SS..Hα-helixtrans-59.4-34.9176.2-163.7-169.2145.700112.2L307 K308E304-L307 PolarHBondContact O-N 2.98Å; E304-K308 WeakPolarHBondContact O-CG 3.41Å; E304-K308 PolarHBondContact O-N 3.04Å; E304-K308 VanDerWaalsContact OE1-CE 3.24Å; E304-K308 WeakPolarHBondContact OE1-CE 3.31Å; E304-K308 IonicContact OE1-NZ 2.87Å; E304-K308 PolarHBondContact OE1-NZ 3.31Å
305L94Very high92.4Very high111 Ų11163.2 Ų63.258%0.58133%0.329SS*.Hα-helixtrans-66-42.3176.3-177.564.1000111.7S303 K308 K309S303-L305 PolarHBondContact O-N 3.33Å; L305-K308 PolarHBondContact O-N 2.75Å; L305-K309 WeakPolarHBondContact O-CG 3.44Å; L305-K309 PolarHBondContact O-N 2.84Å; L305-K309 VanDerWaalsContact O-N 3.09Å
306E95.3Very high92.9Very high64 Ų6463.8 Ų63.830%0.29933%0.331SS..Hα-helixtrans-65-41.8175.4-73.9168.4118.600111.6F302 S303 K308 K309 H310F302-E306 HydrophobicContact CD1-CB 4.28Å; S303-E306 WeakPolarHBondContact CB-OE2 3.46Å; S303-E306 PolarHBondContact N-OE2 2.99Å; S303-E306 PolarHBondContact O-N 2.99Å; S303-E306 VanDerWaalsContact O-N 3.13Å; S303-E306 VanDerWaalsContact OG-CG 3.27Å; S303-E306 WeakPolarHBondContact OG-CG 3.4Å; S303-E306 PolarHBondContact OG-N 3.42Å; S303-E306 PolarHBondContact OG-OE2 3.23Å; E306-K308 VanDerWaalsContact C-N 3.3Å; E306-K308 PolarHBondContact O-N 2.74Å; E306-K309 WeakPolarHBondContact O-CB 3.34Å; E306-K309 PolarHBondContact O-N 3.27Å; E306-K309 VanDerWaalsContact O-N 3.16Å; E306-H310 WeakPolarHBondContact O-CB 3.29Å; E306-H310 PolarHBondContact O-CD2 3.34Å; E306-H310 VanDerWaalsContact O-CG 3.31Å; E306-H310 PolarHBondContact O-N 3.34Å
307L95.6Very high93.5Very high17 Ų1762.1 Ų62.19%0.08932%0.32CS..Hα-helixtrans-61.4-38.9176.5-67.9174.8000112.1A125 L297 F302 S303 E304 H310 S311A125-L307 HydrophobicContact CB-CD2 4.03Å; A125-L307 WeakPolarHBondContact CB-O 3.08Å; L297-L307 HydrophobicContact CD1-CD1 3.41Å; L297-L307 VanDerWaalsContact CD1-CD1 3.41Å; F302-L307 HydrophobicContact CB-CD1 4.5Å; F302-L307 HydrophobicContact CB-CD2 3.75Å; F302-L307 HydrophobicContact CB-CG 3.88Å; F302-L307 HydrophobicContact CD2-CD2 4.18Å; F302-L307 HydrophobicContact CG-CD2 4.09Å; S303-L307 WeakPolarHBondContact O-CG 3.38Å; S303-L307 PolarHBondContact O-N 2.98Å; E304-L307 PolarHBondContact O-N 2.98Å; L307-H310 PolarHBondContact O-N 2.8Å; L307-S311 WeakPolarHBondContact O-CB 3.2Å; L307-S311 PolarHBondContact O-N 2.86Å; L307-S311 PolarHBondContact O-OG 3.3Å
308K96.2Very high94.4Very high124 Ų12457.5 Ų57.554%0.53930%0.296SS..Hα-helixtrans-61.8-46.1173-73.7172.9-175166.40111.5E304 L305 E306 S311 L312E304-K308 WeakPolarHBondContact O-CG 3.41Å; E304-K308 PolarHBondContact O-N 3.04Å; E304-K308 VanDerWaalsContact OE1-CE 3.24Å; E304-K308 WeakPolarHBondContact OE1-CE 3.31Å; E304-K308 IonicContact OE1-NZ 2.87Å; E304-K308 PolarHBondContact OE1-NZ 3.31Å; L305-K308 PolarHBondContact O-N 2.75Å; E306-K308 VanDerWaalsContact C-N 3.3Å; E306-K308 PolarHBondContact O-N 2.74Å; K308-S311 PolarHBondContact O-N 3.36Å; K308-L312 PolarHBondContact O-N 2.93Å; K308-L312 VanDerWaalsContact O-N 3.14Å
309K97.4Very high95.2Very high80 Ų8054.9 Ų54.935%0.34828%0.276SS..Hα-helixtrans-60.1-48.4176.1-70.3177.4179.8-176.60111.9L305 E306 S311 L312 W313L305-K309 WeakPolarHBondContact O-CG 3.44Å; L305-K309 PolarHBondContact O-N 2.84Å; L305-K309 VanDerWaalsContact O-N 3.09Å; E306-K309 WeakPolarHBondContact O-CB 3.34Å; E306-K309 PolarHBondContact O-N 3.27Å; E306-K309 VanDerWaalsContact O-N 3.16Å; K309-S311 VanDerWaalsContact C-N 3.31Å; K309-S311 PolarHBondContact O-N 3.36Å; K309-L312 PolarHBondContact O-N 3.26Å; K309-W313 PolarHBondContact O-N 3.01Å
310H98.1Very high95.8Very high7 Ų750.9 Ų50.93%0.03226%0.255CS..Hα-helixtrans-61.8-38.9178.6-68.8-44.6000112.1A125 F302 E306 L307 L312 W313 L314 D403 Y405 R425 F427A125-H310 HydrophobicContact CB-CB 3.52Å; F302-H310 AromaticContact CD1-CD2 3.96Å; F302-H310 AromaticContact CD1-NE2 3.81Å; F302-H310 AromaticContact CE1-CD2 3.78Å; F302-H310 AromaticContact CE1-NE2 3.4Å; F302-H310 WeakPolarHBondContact CE1-NE2 3.41Å; E306-H310 WeakPolarHBondContact O-CB 3.29Å; E306-H310 PolarHBondContact O-CD2 3.34Å; E306-H310 VanDerWaalsContact O-CG 3.31Å; E306-H310 PolarHBondContact O-N 3.34Å; L307-H310 PolarHBondContact O-N 2.8Å; H310-L312 PolarHBondContact O-N 3.04Å; H310-W313 PolarHBondContact O-N 2.86Å; H310-L314 VanDerWaalsContact O-CG 3.25Å; H310-L314 WeakPolarHBondContact O-CG 3.38Å; H310-L314 PolarHBondContact O-N 3.33Å; H310-D403 IonicContact CE1-OD2 3.88Å; H310-Y405 HydrophobicContact CB-CE1 4.36Å; H310-Y405 PolarHBondContact CE1-OH 3.43Å; H310-Y405 VanDerWaalsContact CE1-OH 3.31Å; H310-Y405 AromaticContact ND1-CE1 3.63Å; H310-Y405 AromaticContact ND1-CZ 3.61Å; H310-Y405 PolarHBondContact ND1-OH 3.06Å; H310-R425 PolarHBondContact CE1-NH2 2.94Å; H310-R425 VanDerWaalsContact CE1-NH2 3.28Å; H310-R425 PolarHBondContact NE2-NH2 3.39Å; H310-F427 AromaticContact CD2-CZ 3.98Å; H310-F427 AromaticContact CE1-CE2 3.77Å; H310-F427 AromaticContact CE1-CZ 3.42Å; H310-F427 VanDerWaalsContact CE1-CZ 3.42Å; H310-F427 WeakPolarHBondContact CE1-CZ 3.16Å; H310-F427 AromaticContact CG-CE1 3.97Å; H310-F427 AromaticContact ND1-CE2 3.89Å; H310-F427 AromaticContact ND1-CZ 3.65Å; H310-F427 AromaticContact NE2-CZ 3.63Å
311S98.4Very high96.2Very high29 Ų2950.7 Ų50.720%0.20325%0.253CS..Hα-helixtrans-63.6-40.6177.4-550000112I123 A125 L307 K308 K309 W313 L314 E315I123-S311 WeakPolarHBondContact O-CA 3.44Å; A125-S311 WeakPolarHBondContact CB-OG 3.2Å; A125-S311 PolarHBondContact N-OG 2.81Å; L307-S311 WeakPolarHBondContact O-CB 3.2Å; L307-S311 PolarHBondContact O-N 2.86Å; L307-S311 PolarHBondContact O-OG 3.3Å; K308-S311 PolarHBondContact O-N 3.36Å; K309-S311 VanDerWaalsContact C-N 3.31Å; K309-S311 PolarHBondContact O-N 3.36Å; S311-W313 PolarHBondContact O-N 3.18Å; S311-L314 PolarHBondContact O-N 3.5Å; S311-E315 WeakPolarHBondContact O-CB 3.47Å; S311-E315 PolarHBondContact O-N 3.07Å
312L98.5Very high96.4Very high106 Ų10654.7 Ų54.756%0.55527%0.267SS*.Hα-helixtrans-62-42.1175.9-17765.8000112.1K308 K309 H310 E315 R316K308-L312 PolarHBondContact O-N 2.93Å; K308-L312 VanDerWaalsContact O-N 3.14Å; K309-L312 PolarHBondContact O-N 3.26Å; H310-L312 PolarHBondContact O-N 3.04Å; L312-E315 PolarHBondContact O-N 3.33Å; L312-R316 WeakPolarHBondContact O-CB 3.21Å; L312-R316 PolarHBondContact O-N 3.11Å
313W98.7Very high96.4Very high28 Ų2858.5 Ų58.511%0.10629%0.285CS..Hα-helixtrans-67.8-37.2176.6-70.5122.6000112.9K309 H310 S311 R316 V317 I346 V348 N353 A355 Y405K309-W313 PolarHBondContact O-N 3.01Å; H310-W313 PolarHBondContact O-N 2.86Å; S311-W313 PolarHBondContact O-N 3.18Å; W313-R316 PolarHBondContact O-N 3.31Å; W313-V317 PolarHBondContact O-N 3.25Å; W313-I346 HydrophobicContact CE3-CD1 4.39Å; W313-I346 HydrophobicContact CE3-CG2 4.27Å; W313-I346 HydrophobicContact CZ3-CG2 4.3Å; W313-V348 HydrophobicContact CD2-CG2 3.81Å; W313-V348 HydrophobicContact CE3-CG2 3.99Å; W313-V348 HydrophobicContact CG-CG2 4.33Å; W313-V348 HydrophobicContact CH2-CG2 4.29Å; W313-V348 HydrophobicContact CZ2-CG1 3.87Å; W313-V348 HydrophobicContact CZ2-CG2 4.1Å; W313-V348 HydrophobicContact CZ3-CG2 4.23Å; W313-N353 WeakPolarHBondContact CZ2-O 3.32Å; W313-N353 PolarHBondContact NE1-OD1 3.28Å; W313-A355 HydrophobicContact CH2-CB 3.87Å; W313-A355 HydrophobicContact CZ3-CB 3.87Å; W313-Y405 HydrophobicContact CB-CD1 3.5Å; W313-Y405 HydrophobicContact CB-CD2 3.83Å; W313-Y405 HydrophobicContact CB-CE1 3.47Å; W313-Y405 VanDerWaalsContact CB-CE1 3.47Å; W313-Y405 HydrophobicContact CB-CE2 3.8Å; W313-Y405 HydrophobicContact CB-CG 3.68Å; W313-Y405 AromaticContact CD1-CE2 3.89Å; W313-Y405 AromaticContact CD1-CZ 3.59Å; W313-Y405 HydrophobicContact CG-CD1 4.49Å; W313-Y405 HydrophobicContact CG-CD2 4.19Å; W313-Y405 HydrophobicContact CG-CE1 4.13Å; W313-Y405 AromaticContact CG-CE2 3.81Å; W313-Y405 HydrophobicContact CG-CE2 3.81Å; W313-Y405 AromaticContact CG-CZ 3.76Å
314L98.6Very high96.3Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-64.8-41.8173.8-69.6166.6000111.7I123 A125 L128 H310 S311 V317 S318 Y405 F427 C429I123-L314 HydrophobicContact CB-CB 4.36Å; A125-L314 HydrophobicContact CB-CD1 4.07Å; L128-L314 HydrophobicContact CD1-CD1 3.68Å; L128-L314 HydrophobicContact CD1-CD2 4.45Å; L128-L314 HydrophobicContact CG-CD1 4.42Å; H310-L314 VanDerWaalsContact O-CG 3.25Å; H310-L314 WeakPolarHBondContact O-CG 3.38Å; H310-L314 PolarHBondContact O-N 3.33Å; S311-L314 PolarHBondContact O-N 3.5Å; L314-V317 WeakPolarHBondContact O-CG1 3.31Å; L314-S318 VanDerWaalsContact O-CB 3.25Å; L314-S318 WeakPolarHBondContact O-CB 3.19Å; L314-S318 PolarHBondContact O-N 3.18Å; L314-Y405 HydrophobicContact CD2-CD1 4.26Å; L314-Y405 HydrophobicContact CG-CD1 4.29Å; L314-F427 HydrophobicContact CD2-CB 4.03Å; L314-C429 VanDerWaalsContact CD2-SG 3.52Å; L314-C429 PolarHBondContact O-SG 3.21Å
315E98.5Very high96.1Very high101 Ų10153.3 Ų53.347%0.47226%0.255SS..Hα-helixtrans-63-43.9173.9-176.9176-161.100111.6S311 L312 S318 T319S311-E315 WeakPolarHBondContact O-CB 3.47Å; S311-E315 PolarHBondContact O-N 3.07Å; L312-E315 PolarHBondContact O-N 3.33Å; E315-S318 PolarHBondContact O-N 3.42Å; E315-T319 WeakPolarHBondContact O-CB 3.44Å; E315-T319 PolarHBondContact O-N 2.9Å; E315-T319 PolarHBondContact O-OG1 2.86Å
316R98.4Very high95.9Very high94 Ų9455.7 Ų55.736%0.35526%0.263SS..Hα-helixtrans-61-49.4177.6178.760.9-176.1163.11.8111.7L312 W313 S318 T319 L320 I346 E358L312-R316 WeakPolarHBondContact O-CB 3.21Å; L312-R316 PolarHBondContact O-N 3.11Å; W313-R316 PolarHBondContact O-N 3.31Å; R316-S318 PolarHBondContact O-N 2.87Å; R316-T319 PolarHBondContact O-N 3.12Å; R316-L320 WeakPolarHBondContact O-CG 3.5Å; R316-L320 PolarHBondContact O-N 3.05Å; R316-I346 HydrophobicContact CB-CD1 4Å; R316-I346 HydrophobicContact CG-CD1 3.44Å; R316-I346 VanDerWaalsContact CG-CD1 3.44Å; R316-E358 IonicContact CZ-OE1 3.89Å; R316-E358 IonicContact CZ-OE2 2.97Å; R316-E358 IonicContact NE-OE1 2.94Å; R316-E358 PolarHBondContact NE-OE1 2.75Å; R316-E358 IonicContact NE-OE2 3.62Å; R316-E358 IonicContact NH2-OE1 2.72Å; R316-E358 PolarHBondContact NH2-OE1 3.17Å; R316-E358 IonicContact NH2-OE2 2.82Å; R316-E358 PolarHBondContact NH2-OE2 3.36Å
317V98.5Very high95.5Very high0 Ų058.6 Ų58.60%028%0.28CS..Hα-helixtrans-68-35.4-179.7740000112.2W313 L314 T319 L320 S321 A344 I346W313-V317 PolarHBondContact O-N 3.25Å; L314-V317 WeakPolarHBondContact O-CG1 3.31Å; V317-T319 VanDerWaalsContact C-N 3.35Å; V317-L320 PolarHBondContact O-N 2.96Å; V317-S321 PolarHBondContact O-N 3.24Å; V317-S321 VanDerWaalsContact O-N 3.09Å; V317-A344 VanDerWaalsContact CG2-C 3.47Å; V317-A344 HydrophobicContact CG2-CB 3.73Å; V317-A344 VanDerWaalsContact CG2-O 3.29Å; V317-A344 WeakPolarHBondContact CG2-O 3.5Å; V317-I346 HydrophobicContact CB-CD1 3.81Å; V317-I346 HydrophobicContact CB-CG1 3.98Å; V317-I346 HydrophobicContact CG2-CD1 4.38Å; V317-I346 HydrophobicContact CG2-CG1 4.03Å
318S97.5Very high94.7Very high4 Ų461 Ų613%0.02829%0.29CS..Hα-helixtrans-61-43.8172.2178.30000111.5H121 L314 E315 R316 S321 K322H121-S318 PolarHBondContact CE1-OG 2.85Å; H121-S318 PolarHBondContact NE2-OG 3.15Å; L314-S318 VanDerWaalsContact O-CB 3.25Å; L314-S318 WeakPolarHBondContact O-CB 3.19Å; L314-S318 PolarHBondContact O-N 3.18Å; E315-S318 PolarHBondContact O-N 3.42Å; R316-S318 PolarHBondContact O-N 2.87Å; S318-S321 PolarHBondContact O-N 3.49Å; S318-K322 WeakPolarHBondContact O-CG 3.19Å; S318-K322 PolarHBondContact O-N 2.89Å
319T97.5Very high93.5Very high51 Ų5162.2 Ų62.231%0.31330%0.303SS..Hα-helixtrans-62.9-44.1177.7-57.20000111.9E315 R316 V317 S321 K322 Q323E315-T319 WeakPolarHBondContact O-CB 3.44Å; E315-T319 PolarHBondContact O-N 2.9Å; E315-T319 PolarHBondContact O-OG1 2.86Å; R316-T319 PolarHBondContact O-N 3.12Å; V317-T319 VanDerWaalsContact C-N 3.35Å; T319-S321 VanDerWaalsContact C-N 3.31Å; T319-S321 PolarHBondContact O-N 3.42Å; T319-K322 PolarHBondContact O-N 3.2Å; T319-Q323 HydrophobicContact CG2-CG 4.48Å; T319-Q323 WeakPolarHBondContact O-CG 3.46Å; T319-Q323 PolarHBondContact O-N 3.2Å
320L96.3Very high92.6Very high16 Ų1663.7 Ų63.78%0.08431%0.313CS..Hα-helixtrans-59.5-42.3176.2-72.5175.4000112.3R316 V317 Q323 A324 A344 I346 E358 T360R316-L320 WeakPolarHBondContact O-CG 3.5Å; R316-L320 PolarHBondContact O-N 3.05Å; V317-L320 PolarHBondContact O-N 2.96Å; L320-Q323 PolarHBondContact O-N 2.66Å; L320-A324 WeakPolarHBondContact O-CB 3.33Å; L320-A324 PolarHBondContact O-N 3.22Å; L320-A344 HydrophobicContact CB-CB 3.84Å; L320-I346 HydrophobicContact CD1-CD1 3.81Å; L320-I346 HydrophobicContact CD1-CG1 3.94Å; L320-E358 HydrophobicContact CD1-CB 3.93Å; L320-E358 HydrophobicContact CD1-CG 4.15Å; L320-T360 HydrophobicContact CB-CG2 4.03Å
321S94.7Very high91.7Very high18 Ų1863.3 Ų63.313%0.12631%0.311CS..Hα-helixtrans-64-43176.4165.40000111.9V317 S318 T319 A324 Q325 A342 S407V317-S321 PolarHBondContact O-N 3.24Å; V317-S321 VanDerWaalsContact O-N 3.09Å; S318-S321 PolarHBondContact O-N 3.49Å; T319-S321 VanDerWaalsContact C-N 3.31Å; T319-S321 PolarHBondContact O-N 3.42Å; S321-A324 PolarHBondContact O-N 2.99Å; S321-Q325 WeakPolarHBondContact O-CB 3.41Å; S321-Q325 PolarHBondContact O-N 2.97Å; S321-A342 PolarHBondContact OG-O 3Å; S321-S407 VanDerWaalsContact CB-OG 3.29Å; S321-S407 WeakPolarHBondContact CB-OG 3.47Å; S321-S407 PolarHBondContact OG-OG 3.3Å
322K93.2Very high90.7Very high114 Ų11464.4 Ų64.450%0.49632%0.318SS..Hα-helixtrans-63-44.6175.5-70.5172.9-174.2173.40112.4S318 T319 A324 Q325 E326S318-K322 WeakPolarHBondContact O-CG 3.19Å; S318-K322 PolarHBondContact O-N 2.89Å; T319-K322 PolarHBondContact O-N 3.2Å; K322-A324 VanDerWaalsContact C-N 3.33Å; K322-A324 PolarHBondContact O-N 2.87Å; K322-Q325 WeakPolarHBondContact O-CA 3.48Å; K322-Q325 WeakPolarHBondContact O-CB 3.33Å; K322-Q325 PolarHBondContact O-N 3.36Å; K322-Q325 VanDerWaalsContact O-N 3.1Å; K322-E326 WeakPolarHBondContact O-CG 3.47Å; K322-E326 PolarHBondContact O-N 2.85Å
323Q93.1Very high90.1Very high92 Ų9259.8 Ų59.843%0.4329%0.293SS..Hα-helixtrans-60.4-43.1176.4-72.3174.1-1000111.7T319 L320 Q325 E326 L327T319-Q323 HydrophobicContact CG2-CG 4.48Å; T319-Q323 WeakPolarHBondContact O-CG 3.46Å; T319-Q323 PolarHBondContact O-N 3.2Å; L320-Q323 PolarHBondContact O-N 2.66Å; Q323-Q325 VanDerWaalsContact C-N 3.31Å; Q323-Q325 PolarHBondContact O-N 3.48Å; Q323-E326 PolarHBondContact O-N 2.84Å; Q323-L327 WeakPolarHBondContact O-CG 3.42Å; Q323-L327 PolarHBondContact O-N 2.82Å
324A90.5Very high89.6Confident3 Ų358.6 Ų58.63%0.02529%0.289CS..Hα-helixtrans-63.9-37.7174.500000112.1L320 S321 K322 L327 H331 A342 T360L320-A324 WeakPolarHBondContact O-CB 3.33Å; L320-A324 PolarHBondContact O-N 3.22Å; S321-A324 PolarHBondContact O-N 2.99Å; K322-A324 VanDerWaalsContact C-N 3.33Å; K322-A324 PolarHBondContact O-N 2.87Å; A324-L327 PolarHBondContact O-N 3.46Å; A324-H331 PolarHBondContact O-CE1 3.18Å; A324-H331 VanDerWaalsContact O-CE1 3.29Å; A324-A342 HydrophobicContact CB-CB 3.8Å; A324-T360 HydrophobicContact CB-CG2 4.36Å
325Q89.9Confident89.3Confident61 Ų6159.1 Ų59.129%0.28529%0.293SS..Hα-helixtrans-66.5-34.8177-173.660.966.200113.3S321 K322 Q323 K328 H331 P341 A342S321-Q325 WeakPolarHBondContact O-CB 3.41Å; S321-Q325 PolarHBondContact O-N 2.97Å; K322-Q325 WeakPolarHBondContact O-CA 3.48Å; K322-Q325 WeakPolarHBondContact O-CB 3.33Å; K322-Q325 PolarHBondContact O-N 3.36Å; K322-Q325 VanDerWaalsContact O-N 3.1Å; Q323-Q325 VanDerWaalsContact C-N 3.31Å; Q323-Q325 PolarHBondContact O-N 3.48Å; Q325-K328 PolarHBondContact NE2-O 3.19Å; Q325-K328 CarbonylContact O-C 3.52Å; Q325-H331 PolarHBondContact NE2-NE2 3.14Å; Q325-H331 VanDerWaalsContact NE2-NE2 3.19Å; Q325-H331 PolarHBondContact OE1-CD2 2.95Å; Q325-H331 PolarHBondContact OE1-NE2 3.16Å; Q325-P341 VanDerWaalsContact OE1-CA 3.3Å; Q325-A342 HydrophobicContact CB-CB 4.02Å
326E88.5Confident88.9Confident160 Ų16056 Ų5675%0.74829%0.285SS*.Hα-helixtrans-72.4-30.2177.6-73.1170.3-179.100112.5K322 Q323K322-E326 WeakPolarHBondContact O-CG 3.47Å; K322-E326 PolarHBondContact O-N 2.85Å; Q323-E326 PolarHBondContact O-N 2.84Å
327L86.7Confident88.3Confident125 Ų12553.1 Ų53.165%0.65428%0.283SS*.Hα-helixtrans-71.6-28.9179.9-72.1170000113.3Q323 A324 T363Q323-L327 WeakPolarHBondContact O-CG 3.42Å; Q323-L327 PolarHBondContact O-N 2.82Å; A324-L327 PolarHBondContact O-N 3.46Å; L327-T363 HydrophobicContact CB-CG2 4.08Å; L327-T363 HydrophobicContact CD1-CG2 4.25Å
328K78.8Confident87.4Confident68 Ų6857.5 Ų57.530%0.29631%0.31SS..  trans-149.3143.9179-80.4-160.5167.6173.20112.7Q325 H331 T363Q325-K328 PolarHBondContact NE2-O 3.19Å; Q325-K328 CarbonylContact O-C 3.52Å; K328-H331 PolarHBondContact O-CE1 3.31Å; K328-H331 VanDerWaalsContact O-CE1 3.22Å; K328-H331 PolarHBondContact O-NE2 2.8Å; K328-T363 WeakPolarHBondContact CD-O 3.48Å; K328-T363 WeakPolarHBondContact CE-O 3.31Å; K328-T363 PolarHBondContact NZ-O 2.78Å
329N72.1Confident86.5Confident150 Ų15061.4 Ų61.480%0.80235%0.351SS*.SBendtrans-81.4-21.4178.6-66.6-17.9000113.9
330I77Confident86Confident110 Ų11059.5 Ų59.556%0.56434%0.342SS*.  trans-124.5129.6-175.2-54.1175.3000109P332 V338I330-P332 WeakPolarHBondContact O-CD 3.38Å; I330-V338 HydrophobicContact CG2-CG1 3.83Å
331H80.4Confident85.7Confident0 Ų061.4 Ų61.40%036%0.355CS..  trans-124.779-176.9-61.2-70.7000110.2A324 Q325 K328 Q333 S334A324-H331 PolarHBondContact O-CE1 3.18Å; A324-H331 VanDerWaalsContact O-CE1 3.29Å; Q325-H331 PolarHBondContact NE2-NE2 3.14Å; Q325-H331 VanDerWaalsContact NE2-NE2 3.19Å; Q325-H331 PolarHBondContact OE1-CD2 2.95Å; Q325-H331 PolarHBondContact OE1-NE2 3.16Å; K328-H331 PolarHBondContact O-CE1 3.31Å; K328-H331 VanDerWaalsContact O-CE1 3.22Å; K328-H331 PolarHBondContact O-NE2 2.8Å; H331-Q333 PolarHBondContact O-N 3.21Å; H331-Q333 VanDerWaalsContact O-N 3.08Å; H331-S334 WeakPolarHBondContact O-CB 3.24Å; H331-S334 PolarHBondContact O-N 2.79Å
332P77.8Confident85.5Confident52 Ų5260.5 Ų60.534%0.33835%0.349SS..THydrogen-bonded Turntrans-57-27.7-176.28.8-10.8000114.1I330 V338I330-P332 WeakPolarHBondContact O-CD 3.38Å; P332-V338 HydrophobicContact CB-CG1 4.38Å; P332-V338 HydrophobicContact CB-CG2 4.3Å
333Q84.7Confident85.6Confident9 Ų955.3 Ų55.34%0.04233%0.327CS..THydrogen-bonded Turntrans-96.713.7-178.1-56.581.40.500113.4H331 I368 S369 H373H331-Q333 PolarHBondContact O-N 3.21Å; H331-Q333 VanDerWaalsContact O-N 3.08Å; Q333-I368 HydrophobicContact CG-CG2 4.19Å; Q333-S369 WeakPolarHBondContact CG-O 3.48Å; Q333-H373 PolarHBondContact O-CD2 2.81Å
334S89.4Confident85.7Confident2 Ų250.9 Ų50.91%0.01431%0.306CS..SBendtrans-65144.6170.2179.20000110.3H331 A336 G337 P341 C343H331-S334 WeakPolarHBondContact O-CB 3.24Å; H331-S334 PolarHBondContact O-N 2.79Å; S334-A336 PolarHBondContact O-N 2.77Å; S334-A336 VanDerWaalsContact O-N 3.12Å; S334-A336 PolarHBondContact OG-N 3.32Å; S334-G337 PolarHBondContact O-N 3.25Å; S334-P341 VanDerWaalsContact CB-O 3.31Å; S334-P341 WeakPolarHBondContact CB-O 3.37Å; S334-P341 PolarHBondContact OG-O 3.48Å; S334-C343 PolarHBondContact OG-SG 3.15Å
335C91.2Very high86.1Confident12 Ų1250.8 Ų50.88%0.08131%0.305CS..THydrogen-bonded Turntrans-60.2-20.7170.9-76.10000112.6G337 H373 C411 C414 L432C335-G337 VanDerWaalsContact C-N 3.31Å; C335-H373 PolarHBondContact SG-ND1 3.5Å; C335-H373 VanDerWaalsContact SG-ND1 3.42Å; C335-C411 HydrophobicContact CB-CB 4.04Å; C335-C414 VanDerWaalsContact SG-SG 3.69Å; C335-L432 HydrophobicContact CB-CD2 4.17Å
336A90Very high86.5Confident36 Ų3647.9 Ų47.930%0.29829%0.291SS..THydrogen-bonded Turntrans-88.48.3174.300000113.7S334 L408 L432S334-A336 PolarHBondContact O-N 2.77Å; S334-A336 VanDerWaalsContact O-N 3.12Å; S334-A336 PolarHBondContact OG-N 3.32Å; A336-L408 HydrophobicContact CB-CD2 4Å; A336-L432 HydrophobicContact CB-CD1 3.68Å
337G86.4Confident87Confident32 Ų3240.2 Ų40.233%0.3326%0.256SS..  trans78.6-171.6-177.500000113.6S334 C335 G339 G340S334-G337 PolarHBondContact O-N 3.25Å; C335-G337 VanDerWaalsContact C-N 3.31Å; G337-G339 VanDerWaalsContact C-N 3.31Å; G337-G339 PolarHBondContact O-N 2.91Å; G337-G340 WeakPolarHBondContact O-CA 3.43Å; G337-G340 PolarHBondContact O-N 3.31Å
338V79.4Confident87.6Confident92 Ų9234.3 Ų34.356%0.55823%0.225SC*.THydrogen-bonded Turntrans-61.8-32.9-164.5-1760000114.8I330 P332I330-V338 HydrophobicContact CG2-CG1 3.83Å; P332-V338 HydrophobicContact CB-CG1 4.38Å; P332-V338 HydrophobicContact CB-CG2 4.3Å
339G79.9Confident88.4Confident87 Ų8732.5 Ų32.590%0.89722%0.218SC*.THydrogen-bonded Turntrans-91.54175.700000114.2G337G337-G339 VanDerWaalsContact C-N 3.31Å; G337-G339 PolarHBondContact O-N 2.91Å
340G86.5Confident89.5Confident11 Ų1127.3 Ų27.311%0.11319%0.193CC..SBendtrans-77.3162-177.500000113.6G337G337-G340 WeakPolarHBondContact O-CA 3.43Å; G337-G340 PolarHBondContact O-N 3.31Å
341P89.7Confident90.3Very high55 Ų5530.8 Ų30.836%0.35721%0.206SC..PPolyproline II helixtrans-69.8156.3175.231.7-36.1000111.3Q325 S334 C343 L408Q325-P341 VanDerWaalsContact OE1-CA 3.3Å; S334-P341 VanDerWaalsContact CB-O 3.31Å; S334-P341 WeakPolarHBondContact CB-O 3.37Å; S334-P341 PolarHBondContact OG-O 3.48Å; P341-C343 PolarHBondContact O-N 3.38Å; P341-L408 HydrophobicContact CG-CD2 4.03Å
342A91.2Very high91Very high0 Ų033.5 Ų33.50%023%0.225CC..PPolyproline II helixtrans-56.7130.1171.600000111.1S321 A324 Q325 T361S321-A342 PolarHBondContact OG-O 3Å; A324-A342 HydrophobicContact CB-CB 3.8Å; Q325-A342 HydrophobicContact CB-CB 4.02Å; A342-T361 VanDerWaalsContact CA-OG1 3.25Å; A342-T361 WeakPolarHBondContact CA-OG1 3.36Å; A342-T361 VanDerWaalsContact CB-OG1 3.31Å; A342-T361 WeakPolarHBondContact CB-OG1 3.47Å
343C93.4Very high91.9Very high4 Ų433.6 Ų33.63%0.02722%0.223CC..PPolyproline II helixtrans-97.9146.3177.2-54.20000110.5S334 P341 T360 T361 A374S334-C343 PolarHBondContact OG-SG 3.15Å; P341-C343 PolarHBondContact O-N 3.38Å; C343-T360 CarbonylContact O-C 3.44Å; C343-T360 VanDerWaalsContact O-CA 3.29Å; C343-T360 WeakPolarHBondContact O-CA 3.41Å; C343-T361 HydrophobicContact CB-CG2 3.82Å; C343-T361 VanDerWaalsContact N-CG2 3.32Å; C343-T361 PolarHBondContact N-OG1 3.22Å; C343-T361 VanDerWaalsContact N-OG1 3.16Å; C343-T361 PolarHBondContact O-N 3.19Å; C343-T361 PolarHBondContact O-OG1 3.29Å; C343-A374 HydrophobicContact CB-CB 4.3Å
344A97.1Very high92.4Very high0 Ų038 Ų380%025%0.246CC..EExtended strand (participates in β ladder)trans-132.6151170.600000110.4V317 L320 S359 T360 F406 S407V317-A344 VanDerWaalsContact CG2-C 3.47Å; V317-A344 HydrophobicContact CG2-CB 3.73Å; V317-A344 VanDerWaalsContact CG2-O 3.29Å; V317-A344 WeakPolarHBondContact CG2-O 3.5Å; L320-A344 HydrophobicContact CB-CB 3.84Å; A344-S359 CarbonylContact C-O 3.53Å; A344-S359 VanDerWaalsContact CA-O 3.3Å; A344-S359 WeakPolarHBondContact CA-O 3.48Å; A344-T360 HydrophobicContact CB-CG2 3.94Å; A344-F406 WeakPolarHBondContact O-CA 3.47Å; A344-S407 PolarHBondContact N-OG 2.96Å; A344-S407 PolarHBondContact O-N 3.41Å
345V98.6Very high92.8Very high0 Ų039.4 Ų39.40%026%0.258CS..EExtended strand (participates in β ladder)trans-138.5145.2174.463.20000110.3S359 A374 A378 A404 Y405 F406V345-S359 PolarHBondContact N-O 3.47Å; V345-S359 PolarHBondContact O-N 3.08Å; V345-A374 VanDerWaalsContact CG1-C 3.47Å; V345-A374 HydrophobicContact CG1-CB 4.07Å; V345-A374 WeakPolarHBondContact CG1-O 3.33Å; V345-A378 HydrophobicContact CG1-CB 3.4Å; V345-A378 VanDerWaalsContact CG1-CB 3.4Å; V345-A404 HydrophobicContact CG2-CB 4.48Å; V345-Y405 CarbonylContact C-O 3.5Å; V345-Y405 WeakPolarHBondContact CA-O 3.48Å; V345-F406 HydrophobicContact CB-CD1 4.07Å; V345-F406 HydrophobicContact CB-CE1 3.78Å; V345-F406 HydrophobicContact CB-CE2 4.45Å; V345-F406 HydrophobicContact CB-CZ 3.98Å; V345-F406 HydrophobicContact CG2-CD1 4.14Å; V345-F406 HydrophobicContact CG2-CD2 3.95Å; V345-F406 HydrophobicContact CG2-CE1 3.7Å; V345-F406 HydrophobicContact CG2-CE2 3.51Å; V345-F406 HydrophobicContact CG2-CG 4.25Å; V345-F406 HydrophobicContact CG2-CZ 3.36Å
346I98.7Very high93Very high0 Ų041.5 Ų41.50%027%0.268CS..EExtended strand (participates in β ladder)trans-128.5128.1170.4-52.6178.6000107.8W313 R316 V317 L320 V348 A355 T357 E358 A404 Y405W313-I346 HydrophobicContact CE3-CD1 4.39Å; W313-I346 HydrophobicContact CE3-CG2 4.27Å; W313-I346 HydrophobicContact CZ3-CG2 4.3Å; R316-I346 HydrophobicContact CB-CD1 4Å; R316-I346 HydrophobicContact CG-CD1 3.44Å; R316-I346 VanDerWaalsContact CG-CD1 3.44Å; V317-I346 HydrophobicContact CB-CD1 3.81Å; V317-I346 HydrophobicContact CB-CG1 3.98Å; V317-I346 HydrophobicContact CG2-CD1 4.38Å; V317-I346 HydrophobicContact CG2-CG1 4.03Å; L320-I346 HydrophobicContact CD1-CD1 3.81Å; L320-I346 HydrophobicContact CD1-CG1 3.94Å; I346-V348 HydrophobicContact CG2-CG2 3.68Å; I346-A355 HydrophobicContact CG2-CB 3.73Å; I346-T357 WeakPolarHBondContact CA-O 3.4Å; I346-E358 HydrophobicContact CD1-CG 4.32Å; I346-E358 HydrophobicContact CG1-CB 4.46Å; I346-E358 HydrophobicContact CG1-CG 4.04Å; I346-E358 HydrophobicContact CG2-CG 4.09Å; I346-A404 CarbonylContact O-C 3.43Å; I346-A404 WeakPolarHBondContact O-CA 3.42Å; I346-Y405 PolarHBondContact N-O 2.9Å; I346-Y405 PolarHBondContact O-N 3.06Å
347I98.6Very high93.3Very high0 Ų040.5 Ų40.50%026%0.258CS..EExtended strand (participates in β ladder)trans-103.1124.1171.6-58.6176.5000107.7L356 T357 A378 V382 F402 D403 A404I347-L356 HydrophobicContact CG2-CD1 4.42Å; I347-L356 PolarHBondContact O-N 3.5Å; I347-T357 HydrophobicContact CB-CG2 3.77Å; I347-T357 HydrophobicContact CD1-CG2 4Å; I347-T357 HydrophobicContact CG1-CG2 4.01Å; I347-T357 PolarHBondContact N-O 3.02Å; I347-T357 PolarHBondContact O-N 2.92Å; I347-A378 HydrophobicContact CD1-CB 3.86Å; I347-A378 HydrophobicContact CG1-CB 4.27Å; I347-V382 HydrophobicContact CB-CG2 4.37Å; I347-V382 HydrophobicContact CD1-CG2 3.76Å; I347-V382 HydrophobicContact CG2-CG2 4.28Å; I347-F402 HydrophobicContact CG2-CB 3.82Å; I347-F402 HydrophobicContact CG2-CD2 4.21Å; I347-F402 HydrophobicContact CG2-CG 4.36Å; I347-D403 WeakPolarHBondContact CA-O 3.28Å; I347-A404 HydrophobicContact CG1-CB 4.35Å
348V98.5Very high93.9Very high0 Ų042.4 Ų42.40%026%0.258CS..EExtended strand (participates in β ladder)trans-121.5136.9-172.9-179.40000109.1W313 I346 P350 I354 D403 Y405W313-V348 HydrophobicContact CD2-CG2 3.81Å; W313-V348 HydrophobicContact CE3-CG2 3.99Å; W313-V348 HydrophobicContact CG-CG2 4.33Å; W313-V348 HydrophobicContact CH2-CG2 4.29Å; W313-V348 HydrophobicContact CZ2-CG1 3.87Å; W313-V348 HydrophobicContact CZ2-CG2 4.1Å; W313-V348 HydrophobicContact CZ3-CG2 4.23Å; I346-V348 HydrophobicContact CG2-CG2 3.68Å; V348-P350 WeakPolarHBondContact O-CD 3.32Å; V348-I354 WeakPolarHBondContact CA-O 3.48Å; V348-I354 WeakPolarHBondContact CG1-O 3.48Å; V348-D403 PolarHBondContact N-O 3.23Å; V348-D403 PolarHBondContact O-N 2.84Å; V348-Y405 HydrophobicContact CB-CD2 4.43Å; V348-Y405 HydrophobicContact CB-CE2 3.86Å; V348-Y405 HydrophobicContact CG2-CD2 3.76Å; V348-Y405 HydrophobicContact CG2-CE2 3.56Å
349D96.4Very high94.7Very high31 Ų3138.9 Ų38.917%0.16624%0.238CC..EExtended strand (participates in β ladder)trans-79114.9164.4170.318.6000109.2E351 S352 N353 I354 L356 F402D349-E351 VanDerWaalsContact C-N 3.26Å; D349-E351 PolarHBondContact O-N 3.1Å; D349-E351 PolarHBondContact OD1-N 3.15Å; D349-S352 WeakPolarHBondContact CB-OG 3.32Å; D349-S352 VanDerWaalsContact CG-OG 3.26Å; D349-S352 WeakPolarHBondContact OD2-CB 3.4Å; D349-S352 PolarHBondContact OD2-N 3.1Å; D349-S352 PolarHBondContact OD2-OG 3.47Å; D349-N353 WeakPolarHBondContact O-CA 3.18Å; D349-N353 PolarHBondContact O-N 2.81Å; D349-I354 PolarHBondContact N-O 3.16Å; D349-L356 HydrophobicContact CB-CD1 4.37Å; D349-L356 HydrophobicContact CB-CD2 4.41Å; D349-L356 HydrophobicContact CB-CG 4.35Å; D349-F402 HydrophobicContact CB-CD1 4.04Å; D349-F402 HydrophobicContact CB-CE1 4.03Å
350P95.1Very high95.4Very high40 Ų4037 Ų3726%0.2621%0.209SC..THydrogen-bonded Turntrans-68.8-21.3-176.630.6-38.2000113.9V348 G401 R424V348-P350 WeakPolarHBondContact O-CD 3.32Å; P350-G401 VanDerWaalsContact CD-O 3.31Å; P350-G401 WeakPolarHBondContact CD-O 3.25Å; P350-G401 WeakPolarHBondContact CG-O 3.37Å; P350-R424 VanDerWaalsContact CG-NH2 3.32Å
351E93.1Very high95.5Very high183 Ų18336.5 Ų36.586%0.85520%0.204SC*.THydrogen-bonded Turntrans-74.3-51.3179.8-64.4-176.7179.700110.6D349D349-E351 VanDerWaalsContact C-N 3.26Å; D349-E351 PolarHBondContact O-N 3.1Å; D349-E351 PolarHBondContact OD1-N 3.15Å
352S95.1Very high95.3Very high57 Ų5734.9 Ų34.940%0.39919%0.193SC..THydrogen-bonded Turntrans-82.1-18.1177.260.80000113.7D349 I354D349-S352 WeakPolarHBondContact CB-OG 3.32Å; D349-S352 VanDerWaalsContact CG-OG 3.26Å; D349-S352 WeakPolarHBondContact OD2-CB 3.4Å; D349-S352 PolarHBondContact OD2-N 3.1Å; D349-S352 PolarHBondContact OD2-OG 3.47Å; S352-I354 VanDerWaalsContact C-N 3.29Å; S352-I354 PolarHBondContact O-N 3.03Å
353N96.3Very high94.6Very high54 Ų5437 Ų3729%0.28921%0.206SC..THydrogen-bonded Turntrans5444.1-171-170.362000112.3W313 D349W313-N353 WeakPolarHBondContact CZ2-O 3.32Å; W313-N353 PolarHBondContact NE1-OD1 3.28Å; D349-N353 WeakPolarHBondContact O-CA 3.18Å; D349-N353 PolarHBondContact O-N 2.81Å
354I96.4Very high93.5Very high102 Ų10240.7 Ų40.752%0.52323%0.229SC..EExtended strand (participates in β ladder)trans-117.8136.7178.8-63.8173.1000109.5V348 D349 S352 L356V348-I354 WeakPolarHBondContact CA-O 3.48Å; V348-I354 WeakPolarHBondContact CG1-O 3.48Å; D349-I354 PolarHBondContact N-O 3.16Å; S352-I354 VanDerWaalsContact C-N 3.29Å; S352-I354 PolarHBondContact O-N 3.03Å; I354-L356 PolarHBondContact O-N 2.89Å
355A97Very high91.9Very high31 Ų3145.5 Ų45.526%0.25626%0.258SS..EExtended strand (participates in β ladder)trans-69.4116.3170.300000109.8W313 I346 E358W313-A355 HydrophobicContact CH2-CB 3.87Å; W313-A355 HydrophobicContact CZ3-CB 3.87Å; I346-A355 HydrophobicContact CG2-CB 3.73Å; A355-E358 HydrophobicContact CB-CG 4.42Å
356L95.4Very high90.1Very high57 Ų5750.1 Ų50.130%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-73-39.4172.5-62.1176.3000110.4I347 D349 I354 L385 F402I347-L356 HydrophobicContact CG2-CD1 4.42Å; I347-L356 PolarHBondContact O-N 3.5Å; D349-L356 HydrophobicContact CB-CD1 4.37Å; D349-L356 HydrophobicContact CB-CD2 4.41Å; D349-L356 HydrophobicContact CB-CG 4.35Å; I354-L356 PolarHBondContact O-N 2.89Å; L356-L385 WeakPolarHBondContact O-CD1 3.37Å; L356-F402 HydrophobicContact CD1-CD1 3.99Å; L356-F402 HydrophobicContact CD1-CD2 3.49Å; L356-F402 VanDerWaalsContact CD1-CD2 3.49Å; L356-F402 HydrophobicContact CD1-CE1 3.84Å; L356-F402 HydrophobicContact CD1-CE2 3.33Å; L356-F402 HydrophobicContact CD1-CG 3.84Å; L356-F402 HydrophobicContact CD1-CZ 3.52Å
357T97.3Very high88.5Confident14 Ų1457.2 Ų57.29%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-152147.2177.4177.60000110.8I346 I347 A378 A381 V382I346-T357 WeakPolarHBondContact CA-O 3.4Å; I347-T357 HydrophobicContact CB-CG2 3.77Å; I347-T357 HydrophobicContact CD1-CG2 4Å; I347-T357 HydrophobicContact CG1-CG2 4.01Å; I347-T357 PolarHBondContact N-O 3.02Å; I347-T357 PolarHBondContact O-N 2.92Å; T357-A378 HydrophobicContact CG2-CB 3.9Å; T357-A381 HydrophobicContact CG2-CB 4.43Å; T357-A381 VanDerWaalsContact OG1-CB 3.29Å; T357-A381 WeakPolarHBondContact OG1-CB 3.2Å; T357-V382 HydrophobicContact CG2-CG2 3.61Å
358E97.9Very high87Confident73 Ų7359.2 Ų59.234%0.34134%0.338SS..EExtended strand (participates in β ladder)trans-118.2137.1164.9-58-172.5154.100107.2R316 L320 I346 A355R316-E358 IonicContact CZ-OE1 3.89Å; R316-E358 IonicContact CZ-OE2 2.97Å; R316-E358 IonicContact NE-OE1 2.94Å; R316-E358 PolarHBondContact NE-OE1 2.75Å; R316-E358 IonicContact NE-OE2 3.62Å; R316-E358 IonicContact NH2-OE1 2.72Å; R316-E358 PolarHBondContact NH2-OE1 3.17Å; R316-E358 IonicContact NH2-OE2 2.82Å; R316-E358 PolarHBondContact NH2-OE2 3.36Å; L320-E358 HydrophobicContact CD1-CB 3.93Å; L320-E358 HydrophobicContact CD1-CG 4.15Å; I346-E358 HydrophobicContact CD1-CG 4.32Å; I346-E358 HydrophobicContact CG1-CB 4.46Å; I346-E358 HydrophobicContact CG1-CG 4.04Å; I346-E358 HydrophobicContact CG2-CG 4.09Å; A355-E358 HydrophobicContact CB-CG 4.42Å
359S96.4Very high86.2Confident18 Ų1861.7 Ų61.713%0.12636%0.356CS..EExtended strand (participates in β ladder)trans-144.2145.9176.6-64.50000110.6A344 V345 A374 A378A344-S359 CarbonylContact C-O 3.53Å; A344-S359 VanDerWaalsContact CA-O 3.3Å; A344-S359 WeakPolarHBondContact CA-O 3.48Å; V345-S359 PolarHBondContact N-O 3.47Å; V345-S359 PolarHBondContact O-N 3.08Å; S359-A374 WeakPolarHBondContact CB-O 3.31Å; S359-A378 WeakPolarHBondContact OG-CA 3.17Å; S359-A378 PolarHBondContact OG-N 2.72Å
360T94.5Very high85.3Confident47 Ų4771.2 Ų71.229%0.28839%0.39SS..EExtended strand (participates in β ladder)trans-127.2163.9178.458.80000110.2L320 A324 C343 A344 P362L320-T360 HydrophobicContact CB-CG2 4.03Å; A324-T360 HydrophobicContact CB-CG2 4.36Å; C343-T360 CarbonylContact O-C 3.44Å; C343-T360 VanDerWaalsContact O-CA 3.29Å; C343-T360 WeakPolarHBondContact O-CA 3.41Å; A344-T360 HydrophobicContact CB-CG2 3.94Å; T360-P362 WeakPolarHBondContact O-CD 3.27Å
361T89Confident84.7Confident1 Ų174 Ų741%0.00640%0.402CS..  trans-56.2126.5166.838.80000109A342 C343 T363A342-T361 VanDerWaalsContact CA-OG1 3.25Å; A342-T361 WeakPolarHBondContact CA-OG1 3.36Å; A342-T361 VanDerWaalsContact CB-OG1 3.31Å; A342-T361 WeakPolarHBondContact CB-OG1 3.47Å; C343-T361 HydrophobicContact CB-CG2 3.82Å; C343-T361 VanDerWaalsContact N-CG2 3.32Å; C343-T361 PolarHBondContact N-OG1 3.22Å; C343-T361 VanDerWaalsContact N-OG1 3.16Å; C343-T361 PolarHBondContact O-N 3.19Å; C343-T361 PolarHBondContact O-OG1 3.29Å; T361-T363 PolarHBondContact O-N 3.42Å
362P84.6Confident84.6Confident21 Ų2167.5 Ų67.514%0.13637%0.373CS..  trans-58.4138.2-177.5-27.234.5000113T360 I368 D372 L377T360-P362 WeakPolarHBondContact O-CD 3.27Å; P362-I368 HydrophobicContact CB-CD1 3.23Å; P362-I368 HydrophobicContact CB-CG2 4.01Å; P362-I368 HydrophobicContact CG-CD1 4.07Å; P362-I368 HydrophobicContact CG-CG2 4.01Å; P362-D372 WeakPolarHBondContact CD-O 3.31Å; P362-D372 HydrophobicContact CG-CB 3.97Å; P362-D372 WeakPolarHBondContact CG-O 3.46Å; P362-L377 HydrophobicContact CG-CD1 3.64Å
363T76.4Confident84.5Confident43 Ų4365.9 Ų65.926%0.26436%0.359SS..  trans-101.22.4179.558.90000112.6L327 K328 T361L327-T363 HydrophobicContact CB-CG2 4.08Å; L327-T363 HydrophobicContact CD1-CG2 4.25Å; K328-T363 WeakPolarHBondContact CD-O 3.48Å; K328-T363 WeakPolarHBondContact CE-O 3.31Å; K328-T363 PolarHBondContact NZ-O 2.78Å; T361-T363 PolarHBondContact O-N 3.42Å
364T70.7Confident84.5Confident83 Ų8363.4 Ų63.451%0.50935%0.346SS..  trans-109.5158171.950.80000109.8I368T364-I368 WeakPolarHBondContact O-CD1 3.09Å; T364-I368 WeakPolarHBondContact O-CG1 3.42Å; T364-I368 WeakPolarHBondContact OG1-CD1 3.17Å
365T64.5Low84.5Confident100 Ų10058.6 Ų58.661%0.61332%0.322SS*.  trans-119-13.8-176.347.90000113.3D367T365-D367 VanDerWaalsContact C-N 3.29Å; T365-D367 PolarHBondContact O-N 3.34Å
366S60.3Low84.4Confident97 Ų9759.4 Ų59.468%0.67832%0.322SS*.THydrogen-bonded Turntrans-66-27.1-165.653.70000114.2
367D64.6Low84.4Confident150 Ų15059.1 Ų59.180%0.80232%0.32SS*.THydrogen-bonded Turntrans-140.924.2-174.2-60.9-67.2000113.9T365T365-D367 VanDerWaalsContact C-N 3.29Å; T365-D367 PolarHBondContact O-N 3.34Å
368I68.6Low84.4Confident41 Ų4158.5 Ų58.521%0.2132%0.316CS..  trans-103.7133.2-165.2-53.1-149.1000112.4Q333 P362 T364 D372Q333-I368 HydrophobicContact CG-CG2 4.19Å; P362-I368 HydrophobicContact CB-CD1 3.23Å; P362-I368 HydrophobicContact CB-CG2 4.01Å; P362-I368 HydrophobicContact CG-CD1 4.07Å; P362-I368 HydrophobicContact CG-CG2 4.01Å; T364-I368 WeakPolarHBondContact O-CD1 3.09Å; T364-I368 WeakPolarHBondContact O-CG1 3.42Å; T364-I368 WeakPolarHBondContact OG1-CD1 3.17Å; I368-D372 HydrophobicContact CG2-CB 3.68Å; I368-D372 VanDerWaalsContact CG2-OD2 3.22Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.5Å
369S80.5Confident84.3Confident53 Ų5355.7 Ų55.737%0.37130%0.304SS..  trans-73.4149.8175.4179.50000111.3Q333 L371 D372Q333-S369 WeakPolarHBondContact CG-O 3.48Å; S369-L371 PolarHBondContact O-N 3.47Å; S369-L371 VanDerWaalsContact O-N 3.16Å; S369-L371 PolarHBondContact OG-N 3.1Å; S369-L371 VanDerWaalsContact OG-N 3.14Å; S369-D372 WeakPolarHBondContact CB-OD2 3.45Å; S369-D372 PolarHBondContact N-OD2 3.3Å; S369-D372 WeakPolarHBondContact O-CB 3.44Å; S369-D372 PolarHBondContact O-N 2.65Å; S369-D372 VanDerWaalsContact O-N 3.14Å
370W77.4Confident84.2Confident230 Ų23057.4 Ų57.487%0.87132%0.316SS*.THydrogen-bonded Turntrans-65.6-15.5171.4-68.630.8000111.8
371L83.8Confident84.2Confident100 Ų10056.5 Ų56.552%0.52431%0.313SS..THydrogen-bonded Turntrans-91.31177.4-56.4176.9000113.2S369 H373 L376 M413S369-L371 PolarHBondContact O-N 3.47Å; S369-L371 VanDerWaalsContact O-N 3.16Å; S369-L371 PolarHBondContact OG-N 3.1Å; S369-L371 VanDerWaalsContact OG-N 3.14Å; L371-H373 PolarHBondContact O-N 2.91Å; L371-L376 HydrophobicContact CB-CD1 4.45Å; L371-L376 WeakPolarHBondContact O-CD1 3.39Å; L371-M413 HydrophobicContact CD2-CE 4.28Å; L371-M413 HydrophobicContact CD2-SD 3.69Å
372D89.7Confident84.5Confident46 Ų4656.6 Ų56.625%0.24631%0.314CS..  trans-79.151.9-178-68.3-28.3000112.2P362 I368 S369 L377P362-D372 WeakPolarHBondContact CD-O 3.31Å; P362-D372 HydrophobicContact CG-CB 3.97Å; P362-D372 WeakPolarHBondContact CG-O 3.46Å; I368-D372 HydrophobicContact CG2-CB 3.68Å; I368-D372 VanDerWaalsContact CG2-OD2 3.22Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.5Å; S369-D372 WeakPolarHBondContact CB-OD2 3.45Å; S369-D372 PolarHBondContact N-OD2 3.3Å; S369-D372 WeakPolarHBondContact O-CB 3.44Å; S369-D372 PolarHBondContact O-N 2.65Å; S369-D372 VanDerWaalsContact O-N 3.14Å; D372-L377 HydrophobicContact CB-CD1 4.38Å; D372-L377 HydrophobicContact CB-CD2 4.13Å; D372-L377 HydrophobicContact CB-CG 4.44Å
373H93.6Very high84.8Confident22 Ų2257.2 Ų57.210%0.10232%0.321CS..  trans-69.6145.6171.6-70.4-165.3000110.1Q333 C335 L371 A375 L376 L377 M413 C414Q333-H373 PolarHBondContact O-CD2 2.81Å; C335-H373 PolarHBondContact SG-ND1 3.5Å; C335-H373 VanDerWaalsContact SG-ND1 3.42Å; L371-H373 PolarHBondContact O-N 2.91Å; H373-A375 PolarHBondContact O-N 2.9Å; H373-L376 PolarHBondContact O-N 2.98Å; H373-L377 PolarHBondContact O-N 2.84Å; H373-M413 WeakPolarHBondContact ND1-CE 3.44Å; H373-C414 WeakPolarHBondContact CB-SG 3.47Å; H373-C414 PolarHBondContact ND1-SG 3.45Å
374A95.4Very high85.5Confident2 Ų261.9 Ų61.92%0.01734%0.338CS..Hα-helixtrans-49-41.9-178.600000113.4C343 V345 S359 L376 L377 A378C343-A374 HydrophobicContact CB-CB 4.3Å; V345-A374 VanDerWaalsContact CG1-C 3.47Å; V345-A374 HydrophobicContact CG1-CB 4.07Å; V345-A374 WeakPolarHBondContact CG1-O 3.33Å; S359-A374 WeakPolarHBondContact CB-O 3.31Å; A374-L376 PolarHBondContact O-N 2.8Å; A374-L377 PolarHBondContact O-N 2.82Å; A374-A378 WeakPolarHBondContact O-CB 3.25Å; A374-A378 PolarHBondContact O-N 3.2Å
375A96.6Very high86.4Confident2 Ų262 Ų622%0.01733%0.334CS..Hα-helixtrans-59.1-4517600000113.7H373 A378 V379 F406 C414H373-A375 PolarHBondContact O-N 2.9Å; A375-A378 PolarHBondContact O-N 2.78Å; A375-V379 WeakPolarHBondContact O-CG2 3.5Å; A375-V379 PolarHBondContact O-N 2.9Å; A375-F406 HydrophobicContact CB-CE1 3.87Å; A375-F406 HydrophobicContact CB-CZ 3.91Å; A375-C414 HydrophobicContact CB-CB 3.59Å
376L95.9Very high87.3Confident48 Ų4859 Ų5925%0.25131%0.313SS..Hα-helixtrans-70.7-38.5-178.3-70.1177.7000110.9L371 H373 A374 V379 S380 M413 A417L371-L376 HydrophobicContact CB-CD1 4.45Å; L371-L376 WeakPolarHBondContact O-CD1 3.39Å; H373-L376 PolarHBondContact O-N 2.98Å; A374-L376 PolarHBondContact O-N 2.8Å; L376-V379 PolarHBondContact O-N 3.24Å; L376-S380 WeakPolarHBondContact O-CB 3.4Å; L376-S380 PolarHBondContact O-N 2.9Å; L376-M413 HydrophobicContact CD1-CE 3.54Å; L376-M413 HydrophobicContact CD1-SD 4.06Å; L376-A417 HydrophobicContact CD2-CB 3.43Å; L376-A417 VanDerWaalsContact CD2-CB 3.43Å
377L95.3Very high88.3Confident51 Ų5157 Ų5727%0.26731%0.308SS..Hα-helixtrans-61.8-42.6173.2-62.8176.1000111.7P362 D372 H373 A374 S380 A381P362-L377 HydrophobicContact CG-CD1 3.64Å; D372-L377 HydrophobicContact CB-CD1 4.38Å; D372-L377 HydrophobicContact CB-CD2 4.13Å; D372-L377 HydrophobicContact CB-CG 4.44Å; H373-L377 PolarHBondContact O-N 2.84Å; A374-L377 PolarHBondContact O-N 2.82Å; L377-S380 WeakPolarHBondContact O-CB 3.3Å; L377-S380 PolarHBondContact O-N 2.99Å; L377-A381 WeakPolarHBondContact O-CB 3.29Å; L377-A381 PolarHBondContact O-N 3.42Å
378A97Very high88.8Confident0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-64.9-45.5176.300000112.3V345 I347 T357 S359 A374 A375 S380 A381 V382V345-A378 HydrophobicContact CG1-CB 3.4Å; V345-A378 VanDerWaalsContact CG1-CB 3.4Å; I347-A378 HydrophobicContact CD1-CB 3.86Å; I347-A378 HydrophobicContact CG1-CB 4.27Å; T357-A378 HydrophobicContact CG2-CB 3.9Å; S359-A378 WeakPolarHBondContact OG-CA 3.17Å; S359-A378 PolarHBondContact OG-N 2.72Å; A374-A378 WeakPolarHBondContact O-CB 3.25Å; A374-A378 PolarHBondContact O-N 3.2Å; A375-A378 PolarHBondContact O-N 2.78Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.36Å; A378-A381 WeakPolarHBondContact O-CB 3.36Å; A378-A381 PolarHBondContact O-N 2.98Å; A378-A381 VanDerWaalsContact O-N 3.15Å; A378-V382 WeakPolarHBondContact O-CG2 3.29Å; A378-V382 PolarHBondContact O-N 3.11Å
379V95.8Very high88.8Confident14 Ų1458.5 Ų58.59%0.08532%0.32CS..Hα-helixtrans-60-42.4175.31700000110.9A375 L376 A381 V382 A383 L398 L418 N421A375-V379 WeakPolarHBondContact O-CG2 3.5Å; A375-V379 PolarHBondContact O-N 2.9Å; L376-V379 PolarHBondContact O-N 3.24Å; V379-A381 VanDerWaalsContact C-N 3.34Å; V379-A381 PolarHBondContact O-N 3.09Å; V379-V382 PolarHBondContact O-N 3.29Å; V379-A383 PolarHBondContact O-N 2.97Å; V379-L398 HydrophobicContact CG1-CD1 4.38Å; V379-L418 HydrophobicContact CG2-CD2 4.29Å; V379-N421 WeakPolarHBondContact CG1-ND2 3.48Å
380S94.4Very high87.9Confident55 Ų5559.4 Ų59.439%0.38534%0.338SS..Hα-helixtrans-61.3-41174.8-172.90000112L376 L377 A378 A383 K384L376-S380 WeakPolarHBondContact O-CB 3.4Å; L376-S380 PolarHBondContact O-N 2.9Å; L377-S380 WeakPolarHBondContact O-CB 3.3Å; L377-S380 PolarHBondContact O-N 2.99Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.36Å; S380-A383 WeakPolarHBondContact O-CB 3.39Å; S380-A383 PolarHBondContact O-N 3.31Å; S380-K384 WeakPolarHBondContact O-CG 3.49Å; S380-K384 PolarHBondContact O-N 3.49Å
381A94.9Very high86.9Confident27 Ų2753.2 Ų53.222%0.22332%0.321CS..Hα-helixtrans-64.5-42.4175.900000112T357 L377 A378 V379 A383 K384 L385T357-A381 HydrophobicContact CG2-CB 4.43Å; T357-A381 VanDerWaalsContact OG1-CB 3.29Å; T357-A381 WeakPolarHBondContact OG1-CB 3.2Å; L377-A381 WeakPolarHBondContact O-CB 3.29Å; L377-A381 PolarHBondContact O-N 3.42Å; A378-A381 WeakPolarHBondContact O-CB 3.36Å; A378-A381 PolarHBondContact O-N 2.98Å; A378-A381 VanDerWaalsContact O-N 3.15Å; V379-A381 VanDerWaalsContact C-N 3.34Å; V379-A381 PolarHBondContact O-N 3.09Å; A381-A383 VanDerWaalsContact C-N 3.3Å; A381-A383 PolarHBondContact O-N 3.39Å; A381-K384 PolarHBondContact O-N 3.42Å; A381-L385 WeakPolarHBondContact O-CG 3.29Å; A381-L385 PolarHBondContact O-N 3.45Å
382V93.8Very high85.5Confident3 Ų357.2 Ų57.22%0.01834%0.337CS..Hα-helixtrans-59.9-42.1172.6174.90000111I347 T357 A378 V379 K384 L385 K386 L398I347-V382 HydrophobicContact CB-CG2 4.37Å; I347-V382 HydrophobicContact CD1-CG2 3.76Å; I347-V382 HydrophobicContact CG2-CG2 4.28Å; T357-V382 HydrophobicContact CG2-CG2 3.61Å; A378-V382 WeakPolarHBondContact O-CG2 3.29Å; A378-V382 PolarHBondContact O-N 3.11Å; V379-V382 PolarHBondContact O-N 3.29Å; V382-K384 PolarHBondContact O-N 3.28Å; V382-L385 PolarHBondContact O-N 3.08Å; V382-K386 HydrophobicContact CG1-CD 4.38Å; V382-K386 PolarHBondContact O-N 3.42Å; V382-L398 HydrophobicContact CG1-CB 4.33Å; V382-L398 WeakPolarHBondContact CG1-O 3.34Å
383A92Very high83.8Confident35 Ų3561 Ų6129%0.28935%0.349SS..Hα-helixtrans-59.3-45.6176.600000111.9V379 S380 A381 K386 G387 L398V379-A383 PolarHBondContact O-N 2.97Å; S380-A383 WeakPolarHBondContact O-CB 3.39Å; S380-A383 PolarHBondContact O-N 3.31Å; A381-A383 VanDerWaalsContact C-N 3.3Å; A381-A383 PolarHBondContact O-N 3.39Å; A383-K386 PolarHBondContact O-N 3.31Å; A383-G387 PolarHBondContact O-N 3.46Å; A383-L398 HydrophobicContact CB-CD1 3.64Å; A383-L398 HydrophobicContact CB-CD2 4.3Å
384K91.6Very high82.1Confident141 Ų14165.3 Ų65.361%0.61338%0.382SS*.Hα-helixtrans-63.2-43.3177.4-70173.7-175.9177.50112.1S380 A381 V382 K386 G387 N388S380-K384 WeakPolarHBondContact O-CG 3.49Å; S380-K384 PolarHBondContact O-N 3.49Å; A381-K384 PolarHBondContact O-N 3.42Å; V382-K384 PolarHBondContact O-N 3.28Å; K384-K386 VanDerWaalsContact C-N 3.34Å; K384-K386 PolarHBondContact O-N 2.89Å; K384-G387 PolarHBondContact O-N 3.41Å; K384-N388 VanDerWaalsContact O-CG 3.31Å; K384-N388 PolarHBondContact O-N 2.77Å; K384-N388 VanDerWaalsContact O-N 3.09Å
385L89.2Confident80.6Confident84 Ų8472.4 Ų72.444%0.4442%0.419SS..Hα-helixtrans-61-42.7176.7-71.8171.3000111.8L356 A381 V382L356-L385 WeakPolarHBondContact O-CD1 3.37Å; A381-L385 WeakPolarHBondContact O-CG 3.29Å; A381-L385 PolarHBondContact O-N 3.45Å; V382-L385 PolarHBondContact O-N 3.08Å
386K83.6Confident79.7Confident37 Ų3774.7 Ų74.716%0.16144%0.435CS..Hα-helixtrans-72.4-32.4176.7-74.5-170.4165.8-174.10113.5V382 A383 K384 N388 T389 L398V382-K386 HydrophobicContact CG1-CD 4.38Å; V382-K386 PolarHBondContact O-N 3.42Å; A383-K386 PolarHBondContact O-N 3.31Å; K384-K386 VanDerWaalsContact C-N 3.34Å; K384-K386 PolarHBondContact O-N 2.89Å; K386-N388 VanDerWaalsContact C-N 3.34Å; K386-T389 PolarHBondContact O-OG1 2.73Å; K386-L398 HydrophobicContact CD-CD2 4.01Å; K386-L398 VanDerWaalsContact CE-O 3.28Å; K386-L398 WeakPolarHBondContact CE-O 3.4Å; K386-L398 PolarHBondContact NZ-O 3.05Å
387G81Confident79.2Confident57 Ų5777.3 Ų77.359%0.58844%0.442SS*.Hα-helixtrans-65.2-38174.600000112.5A383 K384 T389A383-G387 PolarHBondContact O-N 3.46Å; K384-G387 PolarHBondContact O-N 3.41Å; G387-T389 PolarHBondContact O-N 3.34Å
388N74.7Confident78.9Confident141 Ų14177 Ų7775%0.75444%0.441SS*.Hα-helixtrans-73.9-22.3-178.8-71.2-8.3000113.9K384 K386 G390K384-N388 VanDerWaalsContact O-CG 3.31Å; K384-N388 PolarHBondContact O-N 2.77Å; K384-N388 VanDerWaalsContact O-N 3.09Å; K386-N388 VanDerWaalsContact C-N 3.34Å; N388-G390 PolarHBondContact O-N 2.93Å
389T69.4Low78.7Confident81 Ų8177 Ų7750%0.49744%0.441SS..THydrogen-bonded Turntrans-781.9-178.7510000113.7K386 G387 N391K386-T389 PolarHBondContact O-OG1 2.73Å; G387-T389 PolarHBondContact O-N 3.34Å; T389-N391 PolarHBondContact O-N 3.31Å
390G61.3Low78.6Confident72 Ų7279.3 Ų79.374%0.74246%0.455SS*.  trans61.51.3172.400000115.4N388N388-G390 PolarHBondContact O-N 2.93Å
391N55.4Low78.5Confident99 Ų9978.2 Ų78.253%0.52945%0.452SS..  trans-99.8124.5-165.6-101.6-13.5000111T389 Y393T389-N391 PolarHBondContact O-N 3.31Å; N391-Y393 HydrophobicContact CB-CD2 4.19Å; N391-Y393 HydrophobicContact CB-CE2 4.25Å; N391-Y393 WeakPolarHBondContact O-CD2 3.38Å; N391-Y393 PolarHBondContact O-N 3.49Å
392Q54Low78.7Confident184 Ų18478.3 Ų78.386%0.8645%0.448SS*.SBendtrans18.613.2133.9-54-173.212.700121.9S394Q392-S394 PolarHBondContact O-N 3.48Å
393Y54.7Low78.9Confident127 Ų12778.2 Ų78.250%0.49845%0.447SS..  trans-86.623.3172.2-69.8-75.2000111.6N391 D395 S396N391-Y393 HydrophobicContact CB-CD2 4.19Å; N391-Y393 HydrophobicContact CB-CE2 4.25Å; N391-Y393 WeakPolarHBondContact O-CD2 3.38Å; N391-Y393 PolarHBondContact O-N 3.49Å; Y393-D395 PolarHBondContact O-N 2.83Å; Y393-S396 PolarHBondContact O-N 3.39Å
394S57.9Low79.2Confident112 Ų11276.5 Ų76.578%0.78343%0.433SS*.THydrogen-bonded Turntrans-53.4-27-179.163.20000112.4Q392Q392-S394 PolarHBondContact O-N 3.48Å
395D63.9Low79.6Confident150 Ų15070 Ų7080%0.80241%0.405SS*.THydrogen-bonded Turntrans-105.1-0.2-178.1-74.86.8000114.7Y393Y393-D395 PolarHBondContact O-N 2.83Å
396S78.1Confident80Confident51 Ų5166.2 Ų66.236%0.35739%0.385SS..SBendtrans-106.2133.6-177.4-168.70000112.7Y393Y393-S396 PolarHBondContact O-N 3.39Å
397Y85.5Confident80.7Confident102 Ų10264.6 Ų64.640%0.438%0.378SS..  trans-65.7143.8177-61.2-99.9000111.2C399 T400 H420 R422Y397-C399 VanDerWaalsContact C-N 3.3Å; Y397-C399 PolarHBondContact O-N 3.16Å; Y397-C399 VanDerWaalsContact O-N 3.16Å; Y397-T400 WeakPolarHBondContact CB-OG1 3.49Å; Y397-T400 PolarHBondContact O-N 3.13Å; Y397-T400 PolarHBondContact O-OG1 3.25Å; Y397-H420 WeakPolarHBondContact CD1-O 3.37Å; Y397-R422 HydrophobicContact CD1-CG 3.79Å; Y397-R422 HydrophobicContact CD2-CG 3.97Å; Y397-R422 HydrophobicContact CE1-CG 4.22Å; Y397-R422 HydrophobicContact CE2-CG 4.46Å; Y397-R422 HydrophobicContact CG-CB 4.16Å; Y397-R422 HydrophobicContact CG-CG 3.61Å; Y397-R422 VanDerWaalsContact CZ-NH2 3.29Å; Y397-R422 PolarHBondContact OH-NH2 3.4Å
398L88.6Confident81.4Confident46 Ų4662.2 Ų62.224%0.24135%0.352CS..THydrogen-bonded Turntrans-57.1-37.3-167.7-67.6179.6000114.1V379 V382 A383 K386 F402 N421V379-L398 HydrophobicContact CG1-CD1 4.38Å; V382-L398 HydrophobicContact CG1-CB 4.33Å; V382-L398 WeakPolarHBondContact CG1-O 3.34Å; A383-L398 HydrophobicContact CB-CD1 3.64Å; A383-L398 HydrophobicContact CB-CD2 4.3Å; K386-L398 HydrophobicContact CD-CD2 4.01Å; K386-L398 VanDerWaalsContact CE-O 3.28Å; K386-L398 WeakPolarHBondContact CE-O 3.4Å; K386-L398 PolarHBondContact NZ-O 3.05Å; L398-F402 WeakPolarHBondContact O-CE2 3.25Å; L398-N421 HydrophobicContact CB-CB 4.31Å; L398-N421 WeakPolarHBondContact CB-OD1 3.07Å; L398-N421 WeakPolarHBondContact CD1-OD1 3.36Å
399C93.6Very high82.4Confident0 Ų055.5 Ų55.50%032%0.316CS..THydrogen-bonded Turntrans-111.614.1-173.5-58.40000114Y397 G401 F402 N421 R422 I423Y397-C399 VanDerWaalsContact C-N 3.3Å; Y397-C399 PolarHBondContact O-N 3.16Å; Y397-C399 VanDerWaalsContact O-N 3.16Å; C399-G401 PolarHBondContact O-N 2.99Å; C399-F402 PolarHBondContact O-N 3.44Å; C399-F402 VanDerWaalsContact O-N 3.16Å; C399-N421 CarbonylContact C-O 3.39Å; C399-N421 VanDerWaalsContact CA-O 3.28Å; C399-N421 WeakPolarHBondContact CA-O 3.01Å; C399-N421 HydrophobicContact CB-CB 4.02Å; C399-N421 VanDerWaalsContact CB-O 3.31Å; C399-N421 WeakPolarHBondContact CB-O 3.41Å; C399-N421 PolarHBondContact N-O 2.93Å; C399-R422 CarbonylContact C-O 3.56Å; C399-I423 HydrophobicContact CB-CB 4.38Å; C399-I423 HydrophobicContact CB-CD1 3.81Å; C399-I423 WeakPolarHBondContact O-CA 3.28Å
400T93Very high83.8Confident61 Ų6151.7 Ų51.737%0.37429%0.293SS..BIsolated β-bridgetrans-55.9129.5176.7-49.20000110.9Y397 F402 N421 R422Y397-T400 WeakPolarHBondContact CB-OG1 3.49Å; Y397-T400 PolarHBondContact O-N 3.13Å; Y397-T400 PolarHBondContact O-OG1 3.25Å; T400-F402 PolarHBondContact O-N 2.76Å; T400-N421 PolarHBondContact N-O 3.41Å; T400-R422 WeakPolarHBondContact CA-O 3.31Å
401G93.1Very high85.4Confident32 Ų3249 Ų4933%0.3326%0.262SS..THydrogen-bonded Turntrans83.8-15.417800000114.9P350 C399 R424P350-G401 VanDerWaalsContact CD-O 3.31Å; P350-G401 WeakPolarHBondContact CD-O 3.25Å; P350-G401 WeakPolarHBondContact CG-O 3.37Å; C399-G401 PolarHBondContact O-N 2.99Å; G401-R424 WeakPolarHBondContact O-CD 3.39Å; G401-R424 PolarHBondContact O-NE 3.26Å
402F97.4Very high87.2Confident29 Ų2948.2 Ų48.213%0.12726%0.258CS..  trans-88.6153.2-174.8-54.8-31.4000113.6I347 D349 L356 L398 C399 T400 I423 R424I347-F402 HydrophobicContact CG2-CB 3.82Å; I347-F402 HydrophobicContact CG2-CD2 4.21Å; I347-F402 HydrophobicContact CG2-CG 4.36Å; D349-F402 HydrophobicContact CB-CD1 4.04Å; D349-F402 HydrophobicContact CB-CE1 4.03Å; L356-F402 HydrophobicContact CD1-CD1 3.99Å; L356-F402 HydrophobicContact CD1-CD2 3.49Å; L356-F402 VanDerWaalsContact CD1-CD2 3.49Å; L356-F402 HydrophobicContact CD1-CE1 3.84Å; L356-F402 HydrophobicContact CD1-CE2 3.33Å; L356-F402 HydrophobicContact CD1-CG 3.84Å; L356-F402 HydrophobicContact CD1-CZ 3.52Å; L398-F402 WeakPolarHBondContact O-CE2 3.25Å; C399-F402 PolarHBondContact O-N 3.44Å; C399-F402 VanDerWaalsContact O-N 3.16Å; T400-F402 PolarHBondContact O-N 2.76Å; F402-I423 HydrophobicContact CB-CD1 4.21Å; F402-I423 WeakPolarHBondContact O-CD1 3.05Å; F402-R424 WeakPolarHBondContact O-CB 3.49Å; F402-R424 PolarHBondContact O-N 3.39Å
403D98.6Very high89.1Confident1 Ų143 Ų431%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-101142.3172.6-69.2-11000110H310 I347 V348 Y405 R424 R425 F427H310-D403 IonicContact CE1-OD2 3.88Å; I347-D403 WeakPolarHBondContact CA-O 3.28Å; V348-D403 PolarHBondContact N-O 3.23Å; V348-D403 PolarHBondContact O-N 2.84Å; D403-Y405 HydrophobicContact CB-CE2 4.04Å; D403-R424 IonicContact OD1-CZ 2.74Å; D403-R424 IonicContact OD1-NE 3.44Å; D403-R424 PolarHBondContact OD1-NE 2.72Å; D403-R424 IonicContact OD1-NH2 2.9Å; D403-R424 PolarHBondContact OD1-NH2 2.93Å; D403-R424 IonicContact OD2-CZ 3.17Å; D403-R424 IonicContact OD2-NH2 2.78Å; D403-R424 PolarHBondContact OD2-NH2 3.14Å; D403-R425 WeakPolarHBondContact CA-O 3.16Å; D403-R425 WeakPolarHBondContact OD1-CB 3.48Å; D403-R425 IonicContact OD1-CZ 3.58Å; D403-R425 IonicContact OD1-NE 3.63Å; D403-R425 PolarHBondContact OD1-NE 2.79Å; D403-R425 VanDerWaalsContact OD1-NE 3.11Å; D403-R425 IonicContact OD1-NH2 2.72Å; D403-R425 IonicContact OD2-CZ 3.95Å; D403-R425 IonicContact OD2-NE 3.11Å; D403-R425 PolarHBondContact OD2-NE 3.07Å; D403-R425 IonicContact OD2-NH2 3.95Å; D403-R425 PolarHBondContact OD2-NH2 3.43Å; D403-F427 HydrophobicContact CB-CE2 4.35Å
404A98.8Very high91.1Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-115.3136172.200000111.1V345 I346 I347 F406 I423 R425 V426 F427V345-A404 HydrophobicContact CG2-CB 4.48Å; I346-A404 CarbonylContact O-C 3.43Å; I346-A404 WeakPolarHBondContact O-CA 3.42Å; I347-A404 HydrophobicContact CG1-CB 4.35Å; A404-F406 HydrophobicContact CB-CD2 4.22Å; A404-F406 HydrophobicContact CB-CE2 3.73Å; A404-I423 HydrophobicContact CB-CD1 3.99Å; A404-I423 HydrophobicContact CB-CG1 4.14Å; A404-R425 PolarHBondContact N-O 2.9Å; A404-V426 HydrophobicContact CB-CG2 4.4Å; A404-V426 CarbonylContact O-C 3.55Å; A404-V426 VanDerWaalsContact O-CA 3.29Å; A404-V426 WeakPolarHBondContact O-CA 3.29Å; A404-F427 PolarHBondContact O-N 2.83Å
405Y98.9Very high93Very high4 Ų431.7 Ų31.72%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-113.7131.7175.7-58.3-95.8000108.6H310 W313 L314 V345 I346 V348 D403 F427H310-Y405 HydrophobicContact CB-CE1 4.36Å; H310-Y405 PolarHBondContact CE1-OH 3.43Å; H310-Y405 VanDerWaalsContact CE1-OH 3.31Å; H310-Y405 AromaticContact ND1-CE1 3.63Å; H310-Y405 AromaticContact ND1-CZ 3.61Å; H310-Y405 PolarHBondContact ND1-OH 3.06Å; W313-Y405 HydrophobicContact CB-CD1 3.5Å; W313-Y405 HydrophobicContact CB-CD2 3.83Å; W313-Y405 HydrophobicContact CB-CE1 3.47Å; W313-Y405 VanDerWaalsContact CB-CE1 3.47Å; W313-Y405 HydrophobicContact CB-CE2 3.8Å; W313-Y405 HydrophobicContact CB-CG 3.68Å; W313-Y405 AromaticContact CD1-CE2 3.89Å; W313-Y405 AromaticContact CD1-CZ 3.59Å; W313-Y405 HydrophobicContact CG-CD1 4.49Å; W313-Y405 HydrophobicContact CG-CD2 4.19Å; W313-Y405 HydrophobicContact CG-CE1 4.13Å; W313-Y405 AromaticContact CG-CE2 3.81Å; W313-Y405 HydrophobicContact CG-CE2 3.81Å; W313-Y405 AromaticContact CG-CZ 3.76Å; L314-Y405 HydrophobicContact CD2-CD1 4.26Å; L314-Y405 HydrophobicContact CG-CD1 4.29Å; V345-Y405 CarbonylContact C-O 3.5Å; V345-Y405 WeakPolarHBondContact CA-O 3.48Å; I346-Y405 PolarHBondContact N-O 2.9Å; I346-Y405 PolarHBondContact O-N 3.06Å; V348-Y405 HydrophobicContact CB-CD2 4.43Å; V348-Y405 HydrophobicContact CB-CE2 3.86Å; V348-Y405 HydrophobicContact CG2-CD2 3.76Å; V348-Y405 HydrophobicContact CG2-CE2 3.56Å; D403-Y405 HydrophobicContact CB-CE2 4.04Å; Y405-F427 CarbonylContact C-O 3.56Å; Y405-F427 WeakPolarHBondContact CA-O 3.36Å; Y405-F427 HydrophobicContact CD1-CB 3.73Å; Y405-F427 HydrophobicContact CD1-CD2 4.04Å; Y405-F427 HydrophobicContact CD1-CG 4.06Å; Y405-F427 HydrophobicContact CE1-CB 4.1Å; Y405-F427 AromaticContact CE1-CD2 3.67Å; Y405-F427 HydrophobicContact CE1-CD2 3.67Å; Y405-F427 HydrophobicContact CE1-CE2 4.25Å; Y405-F427 AromaticContact CE1-CG 3.9Å; Y405-F427 HydrophobicContact CE1-CG 3.9Å
406F98.6Very high94.5Very high4 Ų427.6 Ų27.62%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-124134.9-174.1-84.7-92.8000110.6A344 V345 A375 A404 L408 P410 L418 V426 F427 C428 C429A344-F406 WeakPolarHBondContact O-CA 3.47Å; V345-F406 HydrophobicContact CB-CD1 4.07Å; V345-F406 HydrophobicContact CB-CE1 3.78Å; V345-F406 HydrophobicContact CB-CE2 4.45Å; V345-F406 HydrophobicContact CB-CZ 3.98Å; V345-F406 HydrophobicContact CG2-CD1 4.14Å; V345-F406 HydrophobicContact CG2-CD2 3.95Å; V345-F406 HydrophobicContact CG2-CE1 3.7Å; V345-F406 HydrophobicContact CG2-CE2 3.51Å; V345-F406 HydrophobicContact CG2-CG 4.25Å; V345-F406 HydrophobicContact CG2-CZ 3.36Å; A375-F406 HydrophobicContact CB-CE1 3.87Å; A375-F406 HydrophobicContact CB-CZ 3.91Å; A404-F406 HydrophobicContact CB-CD2 4.22Å; A404-F406 HydrophobicContact CB-CE2 3.73Å; F406-L408 VanDerWaalsContact C-N 3.29Å; F406-L408 WeakPolarHBondContact CB-O 3.27Å; F406-L408 WeakPolarHBondContact CD1-O 3.41Å; F406-P410 HydrophobicContact CD1-CB 4.35Å; F406-P410 HydrophobicContact CD1-CG 4.36Å; F406-P410 HydrophobicContact CE1-CB 3.93Å; F406-P410 HydrophobicContact CE1-CG 4.12Å; F406-P410 HydrophobicContact CZ-CB 4.34Å; F406-P410 HydrophobicContact CZ-CG 4.22Å; F406-L418 HydrophobicContact CE2-CD1 3.64Å; F406-L418 HydrophobicContact CZ-CD1 3.69Å; F406-L418 HydrophobicContact CZ-CD2 4.48Å; F406-V426 HydrophobicContact CD2-CG1 3.59Å; F406-V426 HydrophobicContact CE2-CG1 3.95Å; F406-F427 PolarHBondContact N-O 3.4Å; F406-C428 CarbonylContact O-C 3.54Å; F406-C428 WeakPolarHBondContact O-CA 3.31Å; F406-C429 PolarHBondContact O-N 3.01Å
407S97.4Very high95.4Very high3 Ų325.9 Ų25.92%0.02114%0.139CC..SBendtrans-70.2-30.6170.868.90000112.4S321 A344 C429 Q430S321-S407 VanDerWaalsContact CB-OG 3.29Å; S321-S407 WeakPolarHBondContact CB-OG 3.47Å; S321-S407 PolarHBondContact OG-OG 3.3Å; A344-S407 PolarHBondContact N-OG 2.96Å; A344-S407 PolarHBondContact O-N 3.41Å; S407-C429 WeakPolarHBondContact O-CB 3.46Å; S407-Q430 PolarHBondContact O-N 3.28Å
408L95.9Very high96Very high8 Ų821 Ų214%0.04212%0.12CC..SBendtrans-141.2137176.7-178.967.8000108.4A336 P341 F406 Q430 K431 L432A336-L408 HydrophobicContact CB-CD2 4Å; P341-L408 HydrophobicContact CG-CD2 4.03Å; F406-L408 VanDerWaalsContact C-N 3.29Å; F406-L408 WeakPolarHBondContact CB-O 3.27Å; F406-L408 WeakPolarHBondContact CD1-O 3.41Å; L408-Q430 HydrophobicContact CD1-CB 3.97Å; L408-Q430 HydrophobicContact CD1-CG 3.84Å; L408-K431 WeakPolarHBondContact CD1-O 3.43Å; L408-L432 HydrophobicContact CD1-CB 4.35Å; L408-L432 HydrophobicContact CD2-CD1 4.2Å; L408-L432 HydrophobicContact CG-CB 4.39Å
409E97.3Very high96.4Very high0 Ų019.4 Ų19.40%011%0.112CC..PPolyproline II helixtrans-49.7130.1176.3-176-173.717500111.1C428 Q430 K431 L432 G436 A437 F438 T439E409-C428 HydrophobicContact CB-CB 4.44Å; E409-Q430 WeakPolarHBondContact CB-O 3.43Å; E409-Q430 PolarHBondContact N-O 3.28Å; E409-K431 WeakPolarHBondContact OE2-CA 3.34Å; E409-L432 HydrophobicContact CB-CB 3.93Å; E409-L432 WeakPolarHBondContact O-CB 3.35Å; E409-L432 PolarHBondContact OE2-N 3.46Å; E409-G436 WeakPolarHBondContact OE1-CA 3.46Å; E409-A437 PolarHBondContact OE1-N 3.47Å; E409-F438 HydrophobicContact CG-CD2 3.97Å; E409-F438 VanDerWaalsContact OE1-CA 3.31Å; E409-F438 WeakPolarHBondContact OE1-CA 3.4Å; E409-F438 WeakPolarHBondContact OE1-CB 3.24Å; E409-F438 PolarHBondContact OE1-N 2.89Å; E409-T439 PolarHBondContact OE1-N 3.49Å; E409-T439 PolarHBondContact OE1-OG1 3.4Å; E409-T439 WeakPolarHBondContact OE2-CG2 3.22Å; E409-T439 PolarHBondContact OE2-OG1 3.33Å
410P97Very high96.4Very high0 Ų025.1 Ų25.10%014%0.138CC..PPolyproline II helixtrans-67.8149.8-178.326.9-33.9000111.8F406 C414 L418 A437 F438F406-P410 HydrophobicContact CD1-CB 4.35Å; F406-P410 HydrophobicContact CD1-CG 4.36Å; F406-P410 HydrophobicContact CE1-CB 3.93Å; F406-P410 HydrophobicContact CE1-CG 4.12Å; F406-P410 HydrophobicContact CZ-CB 4.34Å; F406-P410 HydrophobicContact CZ-CG 4.22Å; P410-C414 HydrophobicContact CB-CB 3.56Å; P410-L418 HydrophobicContact CG-CD1 4.37Å; P410-A437 WeakPolarHBondContact O-CB 3.43Å; P410-A437 PolarHBondContact O-N 3Å; P410-F438 HydrophobicContact CG-CD2 4.24Å; P410-F438 HydrophobicContact CG-CE2 3.33Å; P410-F438 HydrophobicContact CG-CZ 3.63Å
411C94.8Very high96.5Very high16 Ų1623.7 Ų23.711%0.10813%0.128CC..BIsolated β-bridgetrans-64.8166.2168.168.10000111.8C335 M413 C414 G415 L432 D435C335-C411 HydrophobicContact CB-CB 4.04Å; C411-M413 VanDerWaalsContact C-N 3.29Å; C411-M413 PolarHBondContact O-N 3.16Å; C411-C414 PolarHBondContact O-N 3.01Å; C411-G415 PolarHBondContact O-N 2.81Å; C411-L432 HydrophobicContact CB-CD2 4.28Å; C411-D435 WeakPolarHBondContact CA-O 3.4Å
412L94Very high96.7Very high83 Ų8326.4 Ų26.444%0.43513%0.129SC..Hα-helixtrans-51.2-41.3-178.8-81.9170.5000114.5G415 M416 A437L412-G415 PolarHBondContact O-N 2.87Å; L412-M416 WeakPolarHBondContact O-CB 3.47Å; L412-M416 PolarHBondContact O-N 3.29Å; L412-A437 HydrophobicContact CD2-CB 4.28Å
413M94.7Very high96.7Very high75 Ų7525 Ų2537%0.36912%0.123SC..Hα-helixtrans-60.6-49.6177.1177.8-171.666.600111.4L371 H373 L376 C411 M416 A417L371-M413 HydrophobicContact CD2-CE 4.28Å; L371-M413 HydrophobicContact CD2-SD 3.69Å; H373-M413 WeakPolarHBondContact ND1-CE 3.44Å; L376-M413 HydrophobicContact CD1-CE 3.54Å; L376-M413 HydrophobicContact CD1-SD 4.06Å; C411-M413 VanDerWaalsContact C-N 3.29Å; C411-M413 PolarHBondContact O-N 3.16Å; M413-M416 PolarHBondContact O-N 3.32Å; M413-A417 PolarHBondContact O-N 3.16Å
414C97Very high96.6Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-67.4-38179.8-69.40000111.8C335 H373 A375 P410 C411 M416 A417 L418C335-C414 VanDerWaalsContact SG-SG 3.69Å; H373-C414 WeakPolarHBondContact CB-SG 3.47Å; H373-C414 PolarHBondContact ND1-SG 3.45Å; A375-C414 HydrophobicContact CB-CB 3.59Å; P410-C414 HydrophobicContact CB-CB 3.56Å; C411-C414 PolarHBondContact O-N 3.01Å; C414-M416 VanDerWaalsContact C-N 3.32Å; C414-M416 PolarHBondContact O-N 3.41Å; C414-A417 PolarHBondContact O-N 2.82Å; C414-L418 WeakPolarHBondContact O-CG 3.38Å; C414-L418 PolarHBondContact O-N 2.63Å; C414-L418 VanDerWaalsContact O-N 3.1Å
415G97Very high96.6Very high0 Ų030.2 Ų30.20%014%0.142CC..Hα-helixtrans-60.1-41.8171.300000112.3C411 L412 L418 L419C411-G415 PolarHBondContact O-N 2.81Å; L412-G415 PolarHBondContact O-N 2.87Å; G415-L418 PolarHBondContact O-N 3.33Å; G415-L419 PolarHBondContact O-N 3.34Å
416M96.2Very high96.6Very high64 Ų6430 Ų3032%0.31514%0.141SC..Hα-helixtrans-66.9-37177.4-17159.884.800111.9L412 M413 C414 L419 H420 L444L412-M416 WeakPolarHBondContact O-CB 3.47Å; L412-M416 PolarHBondContact O-N 3.29Å; M413-M416 PolarHBondContact O-N 3.32Å; C414-M416 VanDerWaalsContact C-N 3.32Å; C414-M416 PolarHBondContact O-N 3.41Å; M416-L419 WeakPolarHBondContact O-CB 3.38Å; M416-L419 PolarHBondContact O-N 2.85Å; M416-L419 HydrophobicContact SD-CB 4.45Å; M416-L419 HydrophobicContact SD-CD2 4.14Å; M416-H420 PolarHBondContact O-CD2 3.43Å; M416-H420 PolarHBondContact O-N 2.9Å; M416-L444 HydrophobicContact CB-CD2 4.2Å; M416-L444 HydrophobicContact CE-CD1 3.68Å; M416-L444 VanDerWaalsContact N-CD2 3.35Å; M416-L444 HydrophobicContact SD-CD1 4.39Å
417A96.6Very high96.6Very high15 Ų1530 Ų3012%0.12414%0.141CC..Hα-helixtrans-61.6-43.6172.900000112.2L376 M413 C414 L419 H420 N421L376-A417 HydrophobicContact CD2-CB 3.43Å; L376-A417 VanDerWaalsContact CD2-CB 3.43Å; M413-A417 PolarHBondContact O-N 3.16Å; C414-A417 PolarHBondContact O-N 2.82Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 2.99Å; A417-H420 PolarHBondContact O-N 2.94Å; A417-N421 PolarHBondContact O-N 3.29Å; A417-N421 VanDerWaalsContact O-N 3.15Å; A417-N421 PolarHBondContact O-ND2 3.37Å
418L97.6Very high96.6Very high1 Ų129.9 Ų29.91%0.00514%0.14CC..Hα-helixtrans-63.6-39174.6-66.2173.4000112.2V379 F406 P410 C414 G415 N421 R422 I423 V426 F438V379-L418 HydrophobicContact CG2-CD2 4.29Å; F406-L418 HydrophobicContact CE2-CD1 3.64Å; F406-L418 HydrophobicContact CZ-CD1 3.69Å; F406-L418 HydrophobicContact CZ-CD2 4.48Å; P410-L418 HydrophobicContact CG-CD1 4.37Å; C414-L418 WeakPolarHBondContact O-CG 3.38Å; C414-L418 PolarHBondContact O-N 2.63Å; C414-L418 VanDerWaalsContact O-N 3.1Å; G415-L418 PolarHBondContact O-N 3.33Å; L418-N421 CarbonylContact O-C 3.55Å; L418-N421 PolarHBondContact O-N 3.02Å; L418-R422 PolarHBondContact O-N 3.04Å; L418-R422 VanDerWaalsContact O-N 3.15Å; L418-I423 HydrophobicContact CB-CB 4.28Å; L418-I423 HydrophobicContact CB-CG2 3.85Å; L418-I423 PolarHBondContact O-N 3.25Å; L418-I423 VanDerWaalsContact O-N 3.1Å; L418-V426 HydrophobicContact CD1-CG2 4.14Å; L418-F438 HydrophobicContact CD1-CZ 4.19Å
419L96.9Very high96.7Very high11 Ų1129.5 Ų29.56%0.05814%0.138CC..Hα-helixtrans-62.7-49.5177.3-174.1149.9000111.6G415 M416 A417 N421 R422 L444 L450 H452 F454G415-L419 PolarHBondContact O-N 3.34Å; M416-L419 WeakPolarHBondContact O-CB 3.38Å; M416-L419 PolarHBondContact O-N 2.85Å; M416-L419 HydrophobicContact SD-CB 4.45Å; M416-L419 HydrophobicContact SD-CD2 4.14Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 2.99Å; L419-N421 PolarHBondContact O-N 3.47Å; L419-R422 PolarHBondContact O-N 2.92Å; L419-L444 HydrophobicContact CD1-CD1 4.17Å; L419-L444 HydrophobicContact CD1-CD2 4.41Å; L419-L444 HydrophobicContact CD1-CG 3.91Å; L419-L450 HydrophobicContact CD1-CB 4.36Å; L419-L450 HydrophobicContact CD1-CD1 3.51Å; L419-H452 HydrophobicContact CD2-CB 4.49Å; L419-H452 HydrophobicContact CG-CB 4.43Å; L419-F454 HydrophobicContact CB-CE1 4.03Å; L419-F454 HydrophobicContact CD1-CE1 4.35Å; L419-F454 HydrophobicContact CG-CE1 4.35Å
420H94.4Very high96.7Very high121 Ų12132.6 Ų32.656%0.5615%0.153SC*.Hα-helixtrans-63.7-29.4178.6-79.7-63.8000112.8Y397 M416 A417 R422Y397-H420 WeakPolarHBondContact CD1-O 3.37Å; M416-H420 PolarHBondContact O-CD2 3.43Å; M416-H420 PolarHBondContact O-N 2.9Å; A417-H420 PolarHBondContact O-N 2.94Å; H420-R422 VanDerWaalsContact C-N 3.27Å
421N95.4Very high96.6Very high30 Ų3034.8 Ų34.816%0.1616%0.162CC..THydrogen-bonded Turntrans-88.56.5175.6-70-71000113.5V379 L398 C399 T400 A417 L418 L419 I423V379-N421 WeakPolarHBondContact CG1-ND2 3.48Å; L398-N421 HydrophobicContact CB-CB 4.31Å; L398-N421 WeakPolarHBondContact CB-OD1 3.07Å; L398-N421 WeakPolarHBondContact CD1-OD1 3.36Å; C399-N421 CarbonylContact C-O 3.39Å; C399-N421 VanDerWaalsContact CA-O 3.28Å; C399-N421 WeakPolarHBondContact CA-O 3.01Å; C399-N421 HydrophobicContact CB-CB 4.02Å; C399-N421 VanDerWaalsContact CB-O 3.31Å; C399-N421 WeakPolarHBondContact CB-O 3.41Å; C399-N421 PolarHBondContact N-O 2.93Å; T400-N421 PolarHBondContact N-O 3.41Å; A417-N421 PolarHBondContact O-N 3.29Å; A417-N421 VanDerWaalsContact O-N 3.15Å; A417-N421 PolarHBondContact O-ND2 3.37Å; L418-N421 CarbonylContact O-C 3.55Å; L418-N421 PolarHBondContact O-N 3.02Å; L419-N421 PolarHBondContact O-N 3.47Å; N421-I423 PolarHBondContact O-N 2.93Å
422R95.6Very high96.5Very high90 Ų9034.6 Ų34.634%0.3416%0.16SC..THydrogen-bonded Turntrans53.548.1177.1-59.9-164.4-178.8-175.4-0.5114.8Y397 C399 T400 L418 L419 H420 H452Y397-R422 HydrophobicContact CD1-CG 3.79Å; Y397-R422 HydrophobicContact CD2-CG 3.97Å; Y397-R422 HydrophobicContact CE1-CG 4.22Å; Y397-R422 HydrophobicContact CE2-CG 4.46Å; Y397-R422 HydrophobicContact CG-CB 4.16Å; Y397-R422 HydrophobicContact CG-CG 3.61Å; Y397-R422 VanDerWaalsContact CZ-NH2 3.29Å; Y397-R422 PolarHBondContact OH-NH2 3.4Å; C399-R422 CarbonylContact C-O 3.56Å; T400-R422 WeakPolarHBondContact CA-O 3.31Å; L418-R422 PolarHBondContact O-N 3.04Å; L418-R422 VanDerWaalsContact O-N 3.15Å; L419-R422 PolarHBondContact O-N 2.92Å; H420-R422 VanDerWaalsContact C-N 3.27Å; R422-H452 WeakPolarHBondContact CA-NE2 3.37Å; R422-H452 HydrophobicContact CG-CB 4.32Å
423I97.8Very high96.1Very high0 Ų035 Ų350%018%0.176CC..BIsolated β-bridgetrans-53145.5172.1-163.466.5000111.3C399 F402 A404 L418 N421 V426 H452 F454C399-I423 HydrophobicContact CB-CB 4.38Å; C399-I423 HydrophobicContact CB-CD1 3.81Å; C399-I423 WeakPolarHBondContact O-CA 3.28Å; F402-I423 HydrophobicContact CB-CD1 4.21Å; F402-I423 WeakPolarHBondContact O-CD1 3.05Å; A404-I423 HydrophobicContact CB-CD1 3.99Å; A404-I423 HydrophobicContact CB-CG1 4.14Å; L418-I423 HydrophobicContact CB-CB 4.28Å; L418-I423 HydrophobicContact CB-CG2 3.85Å; L418-I423 PolarHBondContact O-N 3.25Å; L418-I423 VanDerWaalsContact O-N 3.1Å; N421-I423 PolarHBondContact O-N 2.93Å; I423-V426 HydrophobicContact CG1-CG2 4.21Å; I423-V426 HydrophobicContact CG2-CG2 3.96Å; I423-H452 PolarHBondContact O-NE2 2.95Å; I423-F454 HydrophobicContact CG2-CB 4.31Å; I423-F454 HydrophobicContact CG2-CD1 4Å; I423-F454 HydrophobicContact CG2-CD2 3.72Å; I423-F454 HydrophobicContact CG2-CE1 4.17Å; I423-F454 HydrophobicContact CG2-CE2 3.9Å; I423-F454 HydrophobicContact CG2-CG 3.76Å; I423-F454 HydrophobicContact CG2-CZ 4.1Å; I423-F454 VanDerWaalsContact O-CB 3.31Å; I423-F454 WeakPolarHBondContact O-CB 2.74Å
424R97.4Very high95.3Very high89 Ų8934.8 Ų34.834%0.33619%0.193SC..SBendtrans-82.2-52.8-179.7-168.3-172.366.4132.1-16.5112.5P350 G401 F402 D403 F454 R455P350-R424 VanDerWaalsContact CG-NH2 3.32Å; G401-R424 WeakPolarHBondContact O-CD 3.39Å; G401-R424 PolarHBondContact O-NE 3.26Å; F402-R424 WeakPolarHBondContact O-CB 3.49Å; F402-R424 PolarHBondContact O-N 3.39Å; D403-R424 IonicContact OD1-CZ 2.74Å; D403-R424 IonicContact OD1-NE 3.44Å; D403-R424 PolarHBondContact OD1-NE 2.72Å; D403-R424 IonicContact OD1-NH2 2.9Å; D403-R424 PolarHBondContact OD1-NH2 2.93Å; D403-R424 IonicContact OD2-CZ 3.17Å; D403-R424 IonicContact OD2-NH2 2.78Å; D403-R424 PolarHBondContact OD2-NH2 3.14Å; R424-F454 WeakPolarHBondContact O-CB 3.46Å; R424-R455 PolarHBondContact O-N 2.97Å
425R98.2Very high94.7Very high21 Ų2139.9 Ų39.98%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-143.1151.9-179.3-50.8-174.8-65.3-172.16.7110.8F302 H310 D403 A404 F427 R455 F457F302-R425 VanDerWaalsContact CE1-NH1 3.32Å; H310-R425 PolarHBondContact CE1-NH2 2.94Å; H310-R425 VanDerWaalsContact CE1-NH2 3.28Å; H310-R425 PolarHBondContact NE2-NH2 3.39Å; D403-R425 WeakPolarHBondContact CA-O 3.16Å; D403-R425 WeakPolarHBondContact OD1-CB 3.48Å; D403-R425 IonicContact OD1-CZ 3.58Å; D403-R425 IonicContact OD1-NE 3.63Å; D403-R425 PolarHBondContact OD1-NE 2.79Å; D403-R425 VanDerWaalsContact OD1-NE 3.11Å; D403-R425 IonicContact OD1-NH2 2.72Å; D403-R425 IonicContact OD2-CZ 3.95Å; D403-R425 IonicContact OD2-NE 3.11Å; D403-R425 PolarHBondContact OD2-NE 3.07Å; D403-R425 IonicContact OD2-NH2 3.95Å; D403-R425 PolarHBondContact OD2-NH2 3.43Å; A404-R425 PolarHBondContact N-O 2.9Å; R425-F427 HydrophobicContact CB-CE2 3.94Å; R425-R455 CarbonylContact C-O 3.6Å; R425-R455 VanDerWaalsContact CA-O 3.24Å; R425-R455 WeakPolarHBondContact CA-O 3.4Å; R425-R455 HydrophobicContact CG-CB 4.3Å; R425-F457 HydrophobicContact CB-CE2 4.36Å
426V98.8Very high94.5Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-128.2134.1174.5-175.80000110.1A404 F406 L418 I423 F438 F454 R455 V456 F457A404-V426 HydrophobicContact CB-CG2 4.4Å; A404-V426 CarbonylContact O-C 3.55Å; A404-V426 VanDerWaalsContact O-CA 3.29Å; A404-V426 WeakPolarHBondContact O-CA 3.29Å; F406-V426 HydrophobicContact CD2-CG1 3.59Å; F406-V426 HydrophobicContact CE2-CG1 3.95Å; L418-V426 HydrophobicContact CD1-CG2 4.14Å; I423-V426 HydrophobicContact CG1-CG2 4.21Å; I423-V426 HydrophobicContact CG2-CG2 3.96Å; V426-F438 HydrophobicContact CB-CE2 4.34Å; V426-F438 HydrophobicContact CG1-CE2 3.89Å; V426-F454 HydrophobicContact CB-CE2 4.34Å; V426-F454 HydrophobicContact CG2-CD2 3.83Å; V426-F454 HydrophobicContact CG2-CE2 3.54Å; V426-R455 PolarHBondContact N-O 3.34Å; V426-V456 HydrophobicContact CB-CG2 4.25Å; V426-V456 CarbonylContact O-C 3.59Å; V426-V456 WeakPolarHBondContact O-CA 3.21Å; V426-F457 PolarHBondContact O-N 3.47Å
427F98.7Very high94.5Very high3 Ų336.8 Ų36.81%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-119.2124.6175.1-60-98.8000108.8L128 F302 H310 L314 D403 A404 Y405 F406 R425 F457L128-F427 HydrophobicContact CD1-CB 4.45Å; L128-F427 HydrophobicContact CD1-CD1 4.05Å; F302-F427 HydrophobicContact CE1-CE1 4.3Å; F302-F427 HydrophobicContact CE1-CZ 4.08Å; F302-F427 HydrophobicContact CE2-CE1 4.43Å; F302-F427 AromaticContact CZ-CE1 3.73Å; F302-F427 HydrophobicContact CZ-CE1 3.73Å; F302-F427 AromaticContact CZ-CZ 3.8Å; F302-F427 HydrophobicContact CZ-CZ 3.8Å; H310-F427 AromaticContact CD2-CZ 3.98Å; H310-F427 AromaticContact CE1-CE2 3.77Å; H310-F427 AromaticContact CE1-CZ 3.42Å; H310-F427 VanDerWaalsContact CE1-CZ 3.42Å; H310-F427 WeakPolarHBondContact CE1-CZ 3.16Å; H310-F427 AromaticContact CG-CE1 3.97Å; H310-F427 AromaticContact ND1-CE2 3.89Å; H310-F427 AromaticContact ND1-CZ 3.65Å; H310-F427 AromaticContact NE2-CZ 3.63Å; L314-F427 HydrophobicContact CD2-CB 4.03Å; D403-F427 HydrophobicContact CB-CE2 4.35Å; A404-F427 PolarHBondContact O-N 2.83Å; Y405-F427 CarbonylContact C-O 3.56Å; Y405-F427 WeakPolarHBondContact CA-O 3.36Å; Y405-F427 HydrophobicContact CD1-CB 3.73Å; Y405-F427 HydrophobicContact CD1-CD2 4.04Å; Y405-F427 HydrophobicContact CD1-CG 4.06Å; Y405-F427 HydrophobicContact CE1-CB 4.1Å; Y405-F427 AromaticContact CE1-CD2 3.67Å; Y405-F427 HydrophobicContact CE1-CD2 3.67Å; Y405-F427 HydrophobicContact CE1-CE2 4.25Å; Y405-F427 AromaticContact CE1-CG 3.9Å; Y405-F427 HydrophobicContact CE1-CG 3.9Å; F406-F427 PolarHBondContact N-O 3.4Å; R425-F427 HydrophobicContact CB-CE2 3.94Å; F427-F457 CarbonylContact C-O 3.44Å; F427-F457 WeakPolarHBondContact CA-O 3.42Å; F427-F457 HydrophobicContact CD1-CB 3.69Å; F427-F457 AromaticContact CD1-CD2 3.72Å; F427-F457 HydrophobicContact CD1-CD2 3.72Å; F427-F457 AromaticContact CD1-CG 3.97Å; F427-F457 HydrophobicContact CD1-CG 3.97Å; F427-F457 HydrophobicContact CE1-CB 4.07Å; F427-F457 AromaticContact CE1-CD2 3.38Å; F427-F457 HydrophobicContact CE1-CD2 3.38Å; F427-F457 HydrophobicContact CE1-CE2 4.02Å; F427-F457 AromaticContact CE1-CG 3.83Å; F427-F457 HydrophobicContact CE1-CG 3.83Å; F427-F457 HydrophobicContact CE2-CD2 4.28Å; F427-F457 HydrophobicContact CG-CB 4.43Å; F427-F457 HydrophobicContact CG-CD2 4.3Å; F427-F457 AromaticContact CZ-CD2 3.7Å; F427-F457 HydrophobicContact CZ-CD2 3.7Å; F427-F457 AromaticContact CZ-CE2 3.96Å; F427-F457 HydrophobicContact CZ-CE2 3.96Å
428C98.3Very high94.4Very high0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-112.1131.2-179.5-57.40000109.7F406 E409 Q430 F457 P459F406-C428 CarbonylContact O-C 3.54Å; F406-C428 WeakPolarHBondContact O-CA 3.31Å; E409-C428 HydrophobicContact CB-CB 4.44Å; C428-Q430 VanDerWaalsContact C-N 3.32Å; C428-F457 PolarHBondContact N-O 3.48Å; C428-P459 WeakPolarHBondContact O-CD 3.46Å
429C98Very high94.1Very high0 Ų037.7 Ų37.70%021%0.208CC..SBendtrans-70.1-32.9170.8-63.60000111.8H121 C122 L314 F406 S407 P459H121-C429 CarbonylContact C-O 3.49Å; H121-C429 WeakPolarHBondContact CA-O 3.46Å; C122-C429 PolarHBondContact N-O 2.93Å; C122-C429 WeakPolarHBondContact O-CA 3.22Å; C122-C429 WeakPolarHBondContact O-CB 3.48Å; L314-C429 VanDerWaalsContact CD2-SG 3.52Å; L314-C429 PolarHBondContact O-SG 3.21Å; F406-C429 PolarHBondContact O-N 3.01Å; S407-C429 WeakPolarHBondContact O-CB 3.46Å; C429-P459 WeakPolarHBondContact O-CG 3.04Å
430Q95.9Very high93.6Very high65 Ų6538.5 Ų38.530%0.30421%0.213SC..SBendtrans-142.9146.5-176-174.7179.33.100110.8D120 S407 L408 E409 C428D120-Q430 HydrophobicContact CB-CG 4.29Å; D120-Q430 WeakPolarHBondContact O-CA 3.35Å; S407-Q430 PolarHBondContact O-N 3.28Å; L408-Q430 HydrophobicContact CD1-CB 3.97Å; L408-Q430 HydrophobicContact CD1-CG 3.84Å; E409-Q430 WeakPolarHBondContact CB-O 3.43Å; E409-Q430 PolarHBondContact N-O 3.28Å; C428-Q430 VanDerWaalsContact C-N 3.32Å
431K94.9Very high93Very high47 Ų4736 Ų3620%0.20421%0.213CC..  trans-77.7147.9171.8-66.9-176.4169.4152.90112L408 E409 T439 S458 P459 P460L408-K431 WeakPolarHBondContact CD1-O 3.43Å; E409-K431 WeakPolarHBondContact OE2-CA 3.34Å; K431-T439 HydrophobicContact CD-CG2 4Å; K431-T439 HydrophobicContact CG-CG2 4Å; K431-S458 WeakPolarHBondContact CE-OG 3.43Å; K431-S458 WeakPolarHBondContact CG-OG 3.4Å; K431-P459 WeakPolarHBondContact CE-O 3.37Å; K431-P459 PolarHBondContact NZ-O 3.14Å; K431-P460 PolarHBondContact NZ-O 3.09Å; K431-P460 PolarHBondContact NZ-OXT 2.96Å
432L93.4Very high92.4Very high12 Ų1237 Ų376%0.06322%0.223CC..  trans-98101.5170.717659.1000108.5C335 A336 L408 E409 C411 G434 D435 G436C335-L432 HydrophobicContact CB-CD2 4.17Å; A336-L432 HydrophobicContact CB-CD1 3.68Å; L408-L432 HydrophobicContact CD1-CB 4.35Å; L408-L432 HydrophobicContact CD2-CD1 4.2Å; L408-L432 HydrophobicContact CG-CB 4.39Å; E409-L432 HydrophobicContact CB-CB 3.93Å; E409-L432 WeakPolarHBondContact O-CB 3.35Å; E409-L432 PolarHBondContact OE2-N 3.46Å; C411-L432 HydrophobicContact CB-CD2 4.28Å; L432-G434 PolarHBondContact O-N 3.01Å; L432-D435 HydrophobicContact CD2-CB 4Å; L432-D435 HydrophobicContact CG-CB 4.14Å; L432-G436 WeakPolarHBondContact O-CA 3.47Å; L432-G436 PolarHBondContact O-N 3.23Å
433A84.5Confident92.2Very high92 Ų9233.9 Ų33.976%0.7621%0.211SC*.THydrogen-bonded Turntrans-61.3127.9-177.800000111.2D435A433-D435 PolarHBondContact O-N 3.15Å; A433-D435 VanDerWaalsContact O-N 3.08Å
434G79Confident92.1Very high70 Ų7034.5 Ų34.572%0.72221%0.214SC*.THydrogen-bonded Turntrans83.4-49.417900000114.2L432L432-G434 PolarHBondContact O-N 3.01Å
435D84.1Confident92Very high106 Ų10630.3 Ų30.357%0.56720%0.198SC*.THydrogen-bonded Turntrans-110.2-0.6-167.2-61.4-44.1000114.9C411 L432 A433C411-D435 WeakPolarHBondContact CA-O 3.4Å; L432-D435 HydrophobicContact CD2-CB 4Å; L432-D435 HydrophobicContact CG-CB 4.14Å; A433-D435 PolarHBondContact O-N 3.15Å; A433-D435 VanDerWaalsContact O-N 3.08Å
436G93Very high91.9Very high0 Ų030.8 Ų30.80%020%0.204CC..BIsolated β-bridgetrans-64.6134.7179.200000113.3E409 L432 F438 N440E409-G436 WeakPolarHBondContact OE1-CA 3.46Å; L432-G436 WeakPolarHBondContact O-CA 3.47Å; L432-G436 PolarHBondContact O-N 3.23Å; G436-F438 VanDerWaalsContact C-N 3.29Å; G436-F438 PolarHBondContact O-N 2.86Å; G436-N440 WeakPolarHBondContact O-CB 3.37Å; G436-N440 PolarHBondContact O-ND2 2.91Å
437A95.6Very high91.5Very high0 Ų033.7 Ų33.70%022%0.217CC..THydrogen-bonded Turntrans-68.2-24.2-174.600000114.6E409 P410 L412 L444E409-A437 PolarHBondContact OE1-N 3.47Å; P410-A437 WeakPolarHBondContact O-CB 3.43Å; P410-A437 PolarHBondContact O-N 3Å; L412-A437 HydrophobicContact CD2-CB 4.28Å; A437-L444 VanDerWaalsContact O-CB 3.26Å; A437-L444 WeakPolarHBondContact O-CB 3.47Å; A437-L444 PolarHBondContact O-N 2.66Å
438F95.7Very high91.1Very high0 Ų039.5 Ų39.50%024%0.244CC..THydrogen-bonded Turntrans-113.2-28.5-166.1-50-41.3000112.9I131 E409 P410 L418 V426 G436 R443 H445 F454 V456I131-F438 WeakPolarHBondContact CG2-O 3.43Å; E409-F438 HydrophobicContact CG-CD2 3.97Å; E409-F438 VanDerWaalsContact OE1-CA 3.31Å; E409-F438 WeakPolarHBondContact OE1-CA 3.4Å; E409-F438 WeakPolarHBondContact OE1-CB 3.24Å; E409-F438 PolarHBondContact OE1-N 2.89Å; P410-F438 HydrophobicContact CG-CD2 4.24Å; P410-F438 HydrophobicContact CG-CE2 3.33Å; P410-F438 HydrophobicContact CG-CZ 3.63Å; L418-F438 HydrophobicContact CD1-CZ 4.19Å; V426-F438 HydrophobicContact CB-CE2 4.34Å; V426-F438 HydrophobicContact CG1-CE2 3.89Å; G436-F438 VanDerWaalsContact C-N 3.29Å; G436-F438 PolarHBondContact O-N 2.86Å; F438-R443 WeakPolarHBondContact O-CG 3.29Å; F438-H445 HydrophobicContact CD1-CB 4.11Å; F438-H445 AromaticContact CD1-ND1 3.83Å; F438-H445 HydrophobicContact CE1-CB 4.49Å; F438-H445 PolarHBondContact O-CE1 3.25Å; F438-H445 VanDerWaalsContact O-CE1 3.31Å; F438-F454 HydrophobicContact CD1-CE2 4.42Å; F438-F454 HydrophobicContact CD1-CZ 4.31Å; F438-F454 AromaticContact CE1-CE2 3.79Å; F438-F454 HydrophobicContact CE1-CE2 3.79Å; F438-F454 AromaticContact CE1-CZ 3.5Å; F438-F454 HydrophobicContact CE1-CZ 3.5Å; F438-F454 AromaticContact CZ-CE2 3.88Å; F438-F454 HydrophobicContact CZ-CE2 3.88Å; F438-F454 AromaticContact CZ-CZ 3.88Å; F438-F454 HydrophobicContact CZ-CZ 3.88Å; F438-V456 HydrophobicContact CB-CB 4.36Å; F438-V456 HydrophobicContact CB-CG1 3.82Å; F438-V456 HydrophobicContact CB-CG2 4.17Å; F438-V456 HydrophobicContact CD1-CG2 4.06Å; F438-V456 HydrophobicContact CD2-CB 4.49Å; F438-V456 HydrophobicContact CD2-CG1 3.7Å; F438-V456 HydrophobicContact CD2-CG2 3.95Å; F438-V456 HydrophobicContact CE1-CG2 4.49Å; F438-V456 HydrophobicContact CE2-CG2 4.36Å; F438-V456 HydrophobicContact CG-CB 4.42Å; F438-V456 HydrophobicContact CG-CG1 3.93Å; F438-V456 HydrophobicContact CG-CG2 3.78Å
439T90.8Very high90.7Very high34 Ų3447.7 Ų47.721%0.20928%0.282CS..THydrogen-bonded Turntrans-104.2-9.7-176.268.50000113.7I131 E409 K431I131-T439 HydrophobicContact CD1-CG2 4.12Å; I131-T439 HydrophobicContact CG1-CG2 4.17Å; E409-T439 PolarHBondContact OE1-N 3.49Å; E409-T439 PolarHBondContact OE1-OG1 3.4Å; E409-T439 WeakPolarHBondContact OE2-CG2 3.22Å; E409-T439 PolarHBondContact OE2-OG1 3.33Å; K431-T439 HydrophobicContact CD-CG2 4Å; K431-T439 HydrophobicContact CG-CG2 4Å
440N86Confident90.4Very high29 Ų2949.9 Ų49.916%0.15529%0.294CS..SBendtrans-67.1179.717074.417000112.5G436 S442 R443G436-N440 WeakPolarHBondContact O-CB 3.37Å; G436-N440 PolarHBondContact O-ND2 2.91Å; N440-S442 PolarHBondContact ND2-OG 2.94Å; N440-S442 PolarHBondContact O-N 3.3Å; N440-S442 WeakPolarHBondContact OD1-CA 3.48Å; N440-S442 WeakPolarHBondContact OD1-CB 3.44Å; N440-S442 PolarHBondContact OD1-N 2.74Å; N440-S442 PolarHBondContact OD1-OG 2.79Å; N440-R443 WeakPolarHBondContact O-CG 3.48Å; N440-R443 PolarHBondContact O-N 3.3Å; N440-R443 PolarHBondContact OD1-N 3.05Å; N440-R443 VanDerWaalsContact OD1-N 3.08Å
441A81.6Confident90.1Very high67 Ų6754.4 Ų54.455%0.55432%0.32SS*.THydrogen-bonded Turntrans-65.1-21.8-178.600000114.5H134H134-A441 PolarHBondContact NE2-O 3.43Å
442S83.1Confident90.1Very high53 Ų5353.8 Ų53.837%0.37132%0.318SS..THydrogen-bonded Turntrans-85-27.7-177.672.10000113.2N440 L444N440-S442 PolarHBondContact ND2-OG 2.94Å; N440-S442 PolarHBondContact O-N 3.3Å; N440-S442 WeakPolarHBondContact OD1-CA 3.48Å; N440-S442 WeakPolarHBondContact OD1-CB 3.44Å; N440-S442 PolarHBondContact OD1-N 2.74Å; N440-S442 PolarHBondContact OD1-OG 2.79Å; S442-L444 PolarHBondContact O-N 3.4Å
443R91.7Very high90.2Very high23 Ų2360 Ų609%0.08734%0.34CS..  trans38.170.2-176.7-57.1-165.6171.2-179-5.6112.2L132 H134 E137 F438 N440 H445 V446L132-R443 WeakPolarHBondContact O-CD 3.43Å; L132-R443 PolarHBondContact O-NH1 2.81Å; H134-R443 VanDerWaalsContact CE1-CZ 3.44Å; H134-R443 PolarHBondContact CE1-NE 2.94Å; H134-R443 PolarHBondContact ND1-NH2 2.88Å; H134-R443 PolarHBondContact NE2-NE 3.45Å; H134-R443 VanDerWaalsContact NE2-NE 3.19Å; E137-R443 IonicContact OE1-CZ 2.77Å; E137-R443 IonicContact OE1-NH1 3.3Å; E137-R443 PolarHBondContact OE1-NH1 3.34Å; E137-R443 IonicContact OE1-NH2 3.91Å; E137-R443 IonicContact OE2-CZ 3.76Å; E137-R443 VanDerWaalsContact OE2-CZ 3.3Å; E137-R443 IonicContact OE2-NH1 2.96Å; E137-R443 PolarHBondContact OE2-NH1 3.04Å; E137-R443 IonicContact OE2-NH2 3.84Å; E137-R443 PolarHBondContact OE2-NH2 3.49Å; F438-R443 WeakPolarHBondContact O-CG 3.29Å; N440-R443 WeakPolarHBondContact O-CG 3.48Å; N440-R443 PolarHBondContact O-N 3.3Å; N440-R443 PolarHBondContact OD1-N 3.05Å; N440-R443 VanDerWaalsContact OD1-N 3.08Å; R443-H445 PolarHBondContact O-N 2.74Å; R443-V446 HydrophobicContact CB-CG2 3.51Å; R443-V446 VanDerWaalsContact O-CG2 3.22Å; R443-V446 WeakPolarHBondContact O-CG2 3.48Å; R443-V446 PolarHBondContact O-N 2.85Å
444L94.8Very high90.8Very high14 Ų1456.1 Ų56.17%0.07331%0.306CS..G310 helixtrans-49-38.6-167.7-177.768.1000113.9M416 L419 A437 S442 V446 Q447 L450M416-L444 HydrophobicContact CB-CD2 4.2Å; M416-L444 HydrophobicContact CE-CD1 3.68Å; M416-L444 VanDerWaalsContact N-CD2 3.35Å; M416-L444 HydrophobicContact SD-CD1 4.39Å; L419-L444 HydrophobicContact CD1-CD1 4.17Å; L419-L444 HydrophobicContact CD1-CD2 4.41Å; L419-L444 HydrophobicContact CD1-CG 3.91Å; A437-L444 VanDerWaalsContact O-CB 3.26Å; A437-L444 WeakPolarHBondContact O-CB 3.47Å; A437-L444 PolarHBondContact O-N 2.66Å; S442-L444 PolarHBondContact O-N 3.4Å; L444-V446 VanDerWaalsContact C-N 3.25Å; L444-V446 PolarHBondContact O-N 3.31Å; L444-Q447 PolarHBondContact O-N 3.35Å; L444-L450 HydrophobicContact CD1-CD1 3.54Å; L444-L450 HydrophobicContact CG-CD1 4.41Å
445H96.3Very high91.7Very high1 Ų156.7 Ų56.71%0.00529%0.287CS..G310 helixtrans-70.2-13.4-175.665.1-63.8000115I131 F438 R443 R453 F454 V456I131-H445 PolarHBondContact O-NE2 3.48Å; F438-H445 HydrophobicContact CD1-CB 4.11Å; F438-H445 AromaticContact CD1-ND1 3.83Å; F438-H445 HydrophobicContact CE1-CB 4.49Å; F438-H445 PolarHBondContact O-CE1 3.25Å; F438-H445 VanDerWaalsContact O-CE1 3.31Å; R443-H445 PolarHBondContact O-N 2.74Å; H445-R453 VanDerWaalsContact O-CA 3.32Å; H445-R453 WeakPolarHBondContact O-CA 3.44Å; H445-R453 WeakPolarHBondContact O-CB 3.45Å; H445-F454 HydrophobicContact CB-CD1 4.05Å; H445-F454 HydrophobicContact CB-CD2 3.88Å; H445-F454 HydrophobicContact CB-CE1 3.79Å; H445-F454 HydrophobicContact CB-CE2 3.61Å; H445-F454 HydrophobicContact CB-CG 4.1Å; H445-F454 HydrophobicContact CB-CZ 3.58Å; H445-F454 PolarHBondContact CD2-O 2.94Å; H445-F454 PolarHBondContact O-N 3.44Å; H445-V456 HydrophobicContact CB-CG2 3.67Å; H445-V456 WeakPolarHBondContact CD2-CG2 3.28Å
446V94.9Very high92.3Very high31 Ų3151.7 Ų51.719%0.18826%0.26CS..G310 helixtrans-1196.3178.9-65.20000113.7P133 R443 L444 E448P133-V446 HydrophobicContact CB-CG2 4.48Å; P133-V446 HydrophobicContact CG-CB 4.03Å; P133-V446 HydrophobicContact CG-CG1 4.2Å; P133-V446 HydrophobicContact CG-CG2 4.28Å; R443-V446 HydrophobicContact CB-CG2 3.51Å; R443-V446 VanDerWaalsContact O-CG2 3.22Å; R443-V446 WeakPolarHBondContact O-CG2 3.48Å; R443-V446 PolarHBondContact O-N 2.85Å; L444-V446 VanDerWaalsContact C-N 3.25Å; L444-V446 PolarHBondContact O-N 3.31Å; V446-E448 PolarHBondContact O-N 2.99Å
447Q92.2Very high92.6Very high60 Ų6051.8 Ų51.828%0.2826%0.261SS..  trans-62.7123.6179.7-178.157.2-93.600111L444 Q449 L450L444-Q447 PolarHBondContact O-N 3.35Å; Q447-Q449 VanDerWaalsContact C-N 3.31Å; Q447-Q449 HydrophobicContact CG-CB 4.37Å; Q447-Q449 PolarHBondContact O-N 3.32Å; Q447-L450 HydrophobicContact CB-CB 4.47Å; Q447-L450 HydrophobicContact CB-CD1 3.83Å; Q447-L450 HydrophobicContact CB-CG 3.97Å; Q447-L450 HydrophobicContact CG-CD1 4.1Å; Q447-L450 HydrophobicContact CG-CG 3.85Å; Q447-L450 PolarHBondContact O-N 2.66Å
448E89.1Confident92.6Very high125 Ų12551.9 Ų51.958%0.58426%0.261SS*.THydrogen-bonded Turntrans-70-29.9-173.5-70.1169.6166.900112.5K16 V446 L450K16-E448 IonicContact NZ-OE1 3.36Å; K16-E448 PolarHBondContact NZ-OE1 3.13Å; K16-E448 IonicContact NZ-OE2 2.78Å; K16-E448 PolarHBondContact NZ-OE2 2.8Å; V446-E448 PolarHBondContact O-N 2.99Å; E448-L450 PolarHBondContact O-N 2.97Å
449Q89.9Confident92.5Very high172 Ų17252.2 Ų52.280%0.80426%0.264SS*.THydrogen-bonded Turntrans-75.8-9.2178.9-62.6179.7-5.100113.3Q447Q447-Q449 VanDerWaalsContact C-N 3.31Å; Q447-Q449 HydrophobicContact CG-CB 4.37Å; Q447-Q449 PolarHBondContact O-N 3.32Å
450L91.9Very high92.4Very high46 Ų4655.1 Ų55.124%0.24128%0.283CS..SBendtrans-96142.1177.5-59.7179.2000110.7L419 L444 Q447 E448 H452 R453L419-L450 HydrophobicContact CD1-CB 4.36Å; L419-L450 HydrophobicContact CD1-CD1 3.51Å; L444-L450 HydrophobicContact CD1-CD1 3.54Å; L444-L450 HydrophobicContact CG-CD1 4.41Å; Q447-L450 HydrophobicContact CB-CB 4.47Å; Q447-L450 HydrophobicContact CB-CD1 3.83Å; Q447-L450 HydrophobicContact CB-CG 3.97Å; Q447-L450 HydrophobicContact CG-CD1 4.1Å; Q447-L450 HydrophobicContact CG-CG 3.85Å; Q447-L450 PolarHBondContact O-N 2.66Å; E448-L450 PolarHBondContact O-N 2.97Å; L450-H452 VanDerWaalsContact C-N 3.3Å; L450-H452 PolarHBondContact O-N 3.25Å; L450-R453 PolarHBondContact O-NH1 3.47Å
451N89.3Confident92.7Very high160 Ų16056.4 Ų56.486%0.85629%0.289SS*.SBendtrans-69.3-26.6-174.8-70.3-26.7000113.5
452H94.8Very high93.3Very high35 Ų3555.8 Ų55.816%0.16228%0.275CS..  trans-117.5132.4-179.5-173.561.4000110.7L419 R422 I423 L450 F454L419-H452 HydrophobicContact CD2-CB 4.49Å; L419-H452 HydrophobicContact CG-CB 4.43Å; R422-H452 WeakPolarHBondContact CA-NE2 3.37Å; R422-H452 HydrophobicContact CG-CB 4.32Å; I423-H452 PolarHBondContact O-NE2 2.95Å; L450-H452 VanDerWaalsContact C-N 3.3Å; L450-H452 PolarHBondContact O-N 3.25Å; H452-F454 AromaticContact CD2-CD1 3.79Å; H452-F454 AromaticContact NE2-CD1 3.98Å
453R95.2Very high93.8Very high141 Ų14156 Ų5653%0.53227%0.27SS..  trans-127.1141.1174.8-70176.8-68.5-82.40.6108.3H445 L450H445-R453 VanDerWaalsContact O-CA 3.32Å; H445-R453 WeakPolarHBondContact O-CA 3.44Å; H445-R453 WeakPolarHBondContact O-CB 3.45Å; L450-R453 PolarHBondContact O-NH1 3.47Å
454F97.3Very high94Very high11 Ų1157.9 Ų57.95%0.04828%0.281CS..  trans-140.8161.4-177.358.4-87.5000110.7L419 I423 R424 V426 F438 H445 H452 V456L419-F454 HydrophobicContact CB-CE1 4.03Å; L419-F454 HydrophobicContact CD1-CE1 4.35Å; L419-F454 HydrophobicContact CG-CE1 4.35Å; I423-F454 HydrophobicContact CG2-CB 4.31Å; I423-F454 HydrophobicContact CG2-CD1 4Å; I423-F454 HydrophobicContact CG2-CD2 3.72Å; I423-F454 HydrophobicContact CG2-CE1 4.17Å; I423-F454 HydrophobicContact CG2-CE2 3.9Å; I423-F454 HydrophobicContact CG2-CG 3.76Å; I423-F454 HydrophobicContact CG2-CZ 4.1Å; I423-F454 VanDerWaalsContact O-CB 3.31Å; I423-F454 WeakPolarHBondContact O-CB 2.74Å; R424-F454 WeakPolarHBondContact O-CB 3.46Å; V426-F454 HydrophobicContact CB-CE2 4.34Å; V426-F454 HydrophobicContact CG2-CD2 3.83Å; V426-F454 HydrophobicContact CG2-CE2 3.54Å; F438-F454 HydrophobicContact CD1-CE2 4.42Å; F438-F454 HydrophobicContact CD1-CZ 4.31Å; F438-F454 AromaticContact CE1-CE2 3.79Å; F438-F454 HydrophobicContact CE1-CE2 3.79Å; F438-F454 AromaticContact CE1-CZ 3.5Å; F438-F454 HydrophobicContact CE1-CZ 3.5Å; F438-F454 AromaticContact CZ-CE2 3.88Å; F438-F454 HydrophobicContact CZ-CE2 3.88Å; F438-F454 AromaticContact CZ-CZ 3.88Å; F438-F454 HydrophobicContact CZ-CZ 3.88Å; H445-F454 HydrophobicContact CB-CD1 4.05Å; H445-F454 HydrophobicContact CB-CD2 3.88Å; H445-F454 HydrophobicContact CB-CE1 3.79Å; H445-F454 HydrophobicContact CB-CE2 3.61Å; H445-F454 HydrophobicContact CB-CG 4.1Å; H445-F454 HydrophobicContact CB-CZ 3.58Å; H445-F454 PolarHBondContact CD2-O 2.94Å; H445-F454 PolarHBondContact O-N 3.44Å; H452-F454 AromaticContact CD2-CD1 3.79Å; H452-F454 AromaticContact NE2-CD1 3.98Å; F454-V456 HydrophobicContact CD2-CG2 3.82Å; F454-V456 HydrophobicContact CE2-CG2 3.58Å
455R97.6Very high93.9Very high83 Ų8360.7 Ų60.731%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-89132.6-176-63.6174.2179.3-175.14.1109.7E286 R424 R425 V426 F457E286-R455 IonicContact OE2-NH2 3.2Å; E286-R455 PolarHBondContact OE2-NH2 2.77Å; R424-R455 PolarHBondContact O-N 2.97Å; R425-R455 CarbonylContact C-O 3.6Å; R425-R455 VanDerWaalsContact CA-O 3.24Å; R425-R455 WeakPolarHBondContact CA-O 3.4Å; R425-R455 HydrophobicContact CG-CB 4.3Å; V426-R455 PolarHBondContact N-O 3.34Å; R455-F457 HydrophobicContact CB-CE2 3.79Å; R455-F457 HydrophobicContact CB-CZ 3.89Å
456V98.5Very high93.8Very high1 Ų164.7 Ų64.71%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-118.5135.3177178.40000109.2I131 V426 F438 H445 F454I131-V456 HydrophobicContact CB-CB 4.34Å; I131-V456 HydrophobicContact CB-CG1 4.41Å; I131-V456 HydrophobicContact CG1-CG1 4.17Å; I131-V456 PolarHBondContact N-O 3.09Å; V426-V456 HydrophobicContact CB-CG2 4.25Å; V426-V456 CarbonylContact O-C 3.59Å; V426-V456 WeakPolarHBondContact O-CA 3.21Å; F438-V456 HydrophobicContact CB-CB 4.36Å; F438-V456 HydrophobicContact CB-CG1 3.82Å; F438-V456 HydrophobicContact CB-CG2 4.17Å; F438-V456 HydrophobicContact CD1-CG2 4.06Å; F438-V456 HydrophobicContact CD2-CB 4.49Å; F438-V456 HydrophobicContact CD2-CG1 3.7Å; F438-V456 HydrophobicContact CD2-CG2 3.95Å; F438-V456 HydrophobicContact CE1-CG2 4.49Å; F438-V456 HydrophobicContact CE2-CG2 4.36Å; F438-V456 HydrophobicContact CG-CB 4.42Å; F438-V456 HydrophobicContact CG-CG1 3.93Å; F438-V456 HydrophobicContact CG-CG2 3.78Å; H445-V456 HydrophobicContact CB-CG2 3.67Å; H445-V456 WeakPolarHBondContact CD2-CG2 3.28Å; F454-V456 HydrophobicContact CD2-CG2 3.82Å; F454-V456 HydrophobicContact CE2-CG2 3.58Å
457F98.1Very high93.7Very high2 Ų267.1 Ų67.11%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-123.7133.7176.5-53.2-83.2000109.6L128 V129 A130 L290 V293 F302 R425 V426 F427 C428 R455L128-F457 HydrophobicContact CB-CB 4.27Å; L128-F457 HydrophobicContact CD1-CB 4.16Å; V129-F457 VanDerWaalsContact O-CA 3.28Å; V129-F457 WeakPolarHBondContact O-CA 3.43Å; A130-F457 HydrophobicContact CB-CD1 3.99Å; A130-F457 HydrophobicContact CB-CE1 3.84Å; L290-F457 HydrophobicContact CD2-CE1 4.05Å; L290-F457 HydrophobicContact CD2-CZ 4.09Å; V293-F457 HydrophobicContact CG1-CD1 3.91Å; V293-F457 HydrophobicContact CG1-CE1 4.11Å; V293-F457 HydrophobicContact CG2-CE1 4.23Å; F302-F457 AromaticContact CE2-CD1 3.94Å; F302-F457 HydrophobicContact CE2-CD1 3.94Å; F302-F457 AromaticContact CE2-CE1 3.52Å; F302-F457 HydrophobicContact CE2-CE1 3.52Å; F302-F457 HydrophobicContact CE2-CE2 4.25Å; F302-F457 HydrophobicContact CE2-CG 4.45Å; F302-F457 AromaticContact CE2-CZ 3.69Å; F302-F457 HydrophobicContact CE2-CZ 3.69Å; F302-F457 HydrophobicContact CZ-CD1 4.33Å; F302-F457 HydrophobicContact CZ-CD2 4.21Å; F302-F457 AromaticContact CZ-CE1 3.84Å; F302-F457 HydrophobicContact CZ-CE1 3.84Å; F302-F457 AromaticContact CZ-CE2 3.72Å; F302-F457 HydrophobicContact CZ-CE2 3.72Å; F302-F457 HydrophobicContact CZ-CG 4.49Å; F302-F457 AromaticContact CZ-CZ 3.5Å; F302-F457 HydrophobicContact CZ-CZ 3.5Å; R425-F457 HydrophobicContact CB-CE2 4.36Å; V426-F457 PolarHBondContact O-N 3.47Å; F427-F457 CarbonylContact C-O 3.44Å; F427-F457 WeakPolarHBondContact CA-O 3.42Å; F427-F457 HydrophobicContact CD1-CB 3.69Å; F427-F457 AromaticContact CD1-CD2 3.72Å; F427-F457 HydrophobicContact CD1-CD2 3.72Å; F427-F457 AromaticContact CD1-CG 3.97Å; F427-F457 HydrophobicContact CD1-CG 3.97Å; F427-F457 HydrophobicContact CE1-CB 4.07Å; F427-F457 AromaticContact CE1-CD2 3.38Å; F427-F457 HydrophobicContact CE1-CD2 3.38Å; F427-F457 HydrophobicContact CE1-CE2 4.02Å; F427-F457 AromaticContact CE1-CG 3.83Å; F427-F457 HydrophobicContact CE1-CG 3.83Å; F427-F457 HydrophobicContact CE2-CD2 4.28Å; F427-F457 HydrophobicContact CG-CB 4.43Å; F427-F457 HydrophobicContact CG-CD2 4.3Å; F427-F457 AromaticContact CZ-CD2 3.7Å; F427-F457 HydrophobicContact CZ-CD2 3.7Å; F427-F457 AromaticContact CZ-CE2 3.96Å; F427-F457 HydrophobicContact CZ-CE2 3.96Å; C428-F457 PolarHBondContact N-O 3.48Å; R455-F457 HydrophobicContact CB-CE2 3.79Å; R455-F457 HydrophobicContact CB-CZ 3.89Å
458S96.2Very high93.8Very high1 Ų167.6 Ų67.61%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-154.4162.7-172.6166.50000109.6L128 V129 K431L128-S458 WeakPolarHBondContact CA-O 3.48Å; V129-S458 WeakPolarHBondContact CG2-O 3.29Å; V129-S458 PolarHBondContact N-O 3.25Å; V129-S458 PolarHBondContact O-N 2.83Å; K431-S458 WeakPolarHBondContact CE-OG 3.43Å; K431-S458 WeakPolarHBondContact CG-OG 3.4Å
459P94.1Very high94.2Very high8 Ų862.8 Ų62.85%0.05230%0.303CS..  trans-46.7150.9165-23.823.9000112.6D120 C122 L128 C428 C429 K431D120-P459 VanDerWaalsContact O-CG 3.31Å; D120-P459 WeakPolarHBondContact O-CG 3.35Å; C122-P459 HydrophobicContact CB-CB 4.42Å; C122-P459 HydrophobicContact CB-CG 3.76Å; L128-P459 HydrophobicContact CD2-CG 4.35Å; C428-P459 WeakPolarHBondContact O-CD 3.46Å; C429-P459 WeakPolarHBondContact O-CG 3.04Å; K431-P459 WeakPolarHBondContact CE-O 3.37Å; K431-P459 PolarHBondContact NZ-O 3.14Å
460P87.4Confident94.6Very high94 Ų9452.9 Ų52.961%0.6126%0.258SS*.  trans-62.80-175.125.1-34.9000116V129 K431V129-P460 HydrophobicContact CG1-CB 4.12Å; V129-P460 HydrophobicContact CG2-CB 4.31Å; K431-P460 PolarHBondContact NZ-O 3.09Å; K431-P460 PolarHBondContact NZ-OXT 2.96Å

Retrieved 460 of 460 residues in 200.9 ms (Link to these results)

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