A0A077ZH23_TRITR Loading...

Signal recognition particle 19 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). Binds directly to 7SL RNA. Mediates binding of SRP54 to the SRP complex.

AlphaFold DB , UniProt , Accession A0A077ZH23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M61.3Low85.2Confident150 Ų15084.5 Ų84.574%0.73945%0.447SS*.  0150.30-134.769.6174.300106.6Y5 E6M1-Y5 HydrophobicContact CB-CD1 4.49Å; M1-Y5 HydrophobicContact CE-CD1 3.46Å; M1-Y5 VanDerWaalsContact CE-CD1 3.46Å; M1-Y5 HydrophobicContact CE-CD2 3.68Å; M1-Y5 HydrophobicContact CE-CE1 3.19Å; M1-Y5 HydrophobicContact CE-CE2 3.42Å; M1-Y5 VanDerWaalsContact CE-CE2 3.42Å; M1-Y5 HydrophobicContact CE-CG 3.72Å; M1-Y5 HydrophobicContact CG-CD1 3.29Å; M1-Y5 HydrophobicContact CG-CD2 4.41Å; M1-Y5 HydrophobicContact CG-CE1 3.96Å; M1-Y5 HydrophobicContact CG-CG 3.58Å; M1-Y5 HydrophobicContact SD-CD1 4.24Å; M1-Y5 HydrophobicContact SD-CE1 4.39Å; M1-E6 HydrophobicContact CB-CG 4.36Å
2S79.3Confident85.8Confident69 Ų6981.7 Ų81.748%0.48343%0.433SS..  trans-73.7150174.458.30000110.3I4 Y5 E6S2-I4 PolarHBondContact O-N 3.45Å; S2-I4 VanDerWaalsContact O-N 3.09Å; S2-Y5 WeakPolarHBondContact O-CB 3.41Å; S2-Y5 PolarHBondContact O-N 3.13Å; S2-Y5 PolarHBondContact OG-N 2.78Å; S2-E6 PolarHBondContact O-N 3.5Å
3H84.4Confident86.3Confident147 Ų14781.5 Ų81.568%0.68143%0.428SS*.Hα-helixtrans-54.9-30.1176.7-160.1-86.6000112.1N7H3-N7 PolarHBondContact CE1-ND2 3.37Å; H3-N7 VanDerWaalsContact CE1-ND2 3.29Å; H3-N7 PolarHBondContact ND1-ND2 3.09Å; H3-N7 VanDerWaalsContact ND1-ND2 3.13Å; H3-N7 PolarHBondContact O-N 3.29Å; H3-N7 PolarHBondContact O-ND2 3.35Å
4I87.3Confident86.7Confident117 Ų11780.9 Ų80.960%0.642%0.424SS*.Hα-helixtrans-66.5-41.2175.6-56.8168.1000111.2S2 E6 A8 I14S2-I4 PolarHBondContact O-N 3.45Å; S2-I4 VanDerWaalsContact O-N 3.09Å; I4-E6 PolarHBondContact O-N 2.9Å; I4-A8 WeakPolarHBondContact O-CB 3.41Å; I4-A8 PolarHBondContact O-N 3.07Å; I4-A8 VanDerWaalsContact O-N 3.07Å; I4-I14 HydrophobicContact CG2-CD1 3.74Å
5Y88.4Confident86.9Confident59 Ų5979.3 Ų79.323%0.23141%0.412CS..Hα-helixtrans-63.8-41-179.3-178.7-79.2000111.9M1 S2 I14 K15M1-Y5 HydrophobicContact CB-CD1 4.49Å; M1-Y5 HydrophobicContact CE-CD1 3.46Å; M1-Y5 VanDerWaalsContact CE-CD1 3.46Å; M1-Y5 HydrophobicContact CE-CD2 3.68Å; M1-Y5 HydrophobicContact CE-CE1 3.19Å; M1-Y5 HydrophobicContact CE-CE2 3.42Å; M1-Y5 VanDerWaalsContact CE-CE2 3.42Å; M1-Y5 HydrophobicContact CE-CG 3.72Å; M1-Y5 HydrophobicContact CG-CD1 3.29Å; M1-Y5 HydrophobicContact CG-CD2 4.41Å; M1-Y5 HydrophobicContact CG-CE1 3.96Å; M1-Y5 HydrophobicContact CG-CG 3.58Å; M1-Y5 HydrophobicContact SD-CD1 4.24Å; M1-Y5 HydrophobicContact SD-CE1 4.39Å; S2-Y5 WeakPolarHBondContact O-CB 3.41Å; S2-Y5 PolarHBondContact O-N 3.13Å; S2-Y5 PolarHBondContact OG-N 2.78Å; Y5-I14 HydrophobicContact CD2-CG2 3.62Å; Y5-I14 HydrophobicContact CE2-CG2 4.43Å; Y5-I14 HydrophobicContact CG-CG2 4.33Å; Y5-K15 HydrophobicContact CD2-CG 4.35Å; Y5-K15 HydrophobicContact CE1-CG 4.37Å; Y5-K15 HydrophobicContact CE2-CB 4.47Å; Y5-K15 HydrophobicContact CE2-CG 3.86Å; Y5-K15 WeakPolarHBondContact O-CE 2.82Å; Y5-K15 PolarHBondContact O-NZ 3.43Å
6E87.2Confident87.3Confident122 Ų12276.2 Ų76.257%0.5739%0.394SS*.Hα-helixtrans-65.2-43.5-176.4-72.8170.1-165.500111.2M1 S2 I4 K15M1-E6 HydrophobicContact CB-CG 4.36Å; S2-E6 PolarHBondContact O-N 3.5Å; I4-E6 PolarHBondContact O-N 2.9Å; E6-K15 PolarHBondContact O-NZ 3.44Å
7N90.6Very high87.5Confident115 Ų11573.2 Ų73.262%0.61538%0.378SS*.Hα-helixtrans-80.1-17.4-178.1-65.9-61.9000114.7H3H3-N7 PolarHBondContact CE1-ND2 3.37Å; H3-N7 VanDerWaalsContact CE1-ND2 3.29Å; H3-N7 PolarHBondContact ND1-ND2 3.09Å; H3-N7 VanDerWaalsContact ND1-ND2 3.13Å; H3-N7 PolarHBondContact O-N 3.29Å; H3-N7 PolarHBondContact O-ND2 3.35Å
8A89.4Confident87.8Confident10 Ų1071.3 Ų71.38%0.08337%0.37CS..SBendtrans-63.7141.8179.800000111.6I4 D12 K15I4-A8 WeakPolarHBondContact O-CB 3.41Å; I4-A8 PolarHBondContact O-N 3.07Å; I4-A8 VanDerWaalsContact O-N 3.07Å; A8-D12 HydrophobicContact CB-CB 3.9Å; A8-K15 WeakPolarHBondContact O-CE 3.4Å; A8-K15 PolarHBondContact O-NZ 2.99Å
9P90.5Very high88.1Confident62 Ų6267.5 Ų67.540%0.40335%0.351SS..  trans-64154.2175.625.8-32.3000111.1C11 D12P9-C11 PolarHBondContact O-N 2.63Å; P9-C11 VanDerWaalsContact O-N 3.08Å; P9-D12 HydrophobicContact CG-CB 4.06Å; P9-D12 WeakPolarHBondContact O-CB 3.1Å; P9-D12 PolarHBondContact O-N 2.94Å
10P87.9Confident88.3Confident42 Ų4265 Ų6527%0.27334%0.337SS..THydrogen-bonded Turntrans-58.8-24.5-176.7-21.531.2000114.9R87 N88 A89P10-R87 HydrophobicContact CB-CB 3.95Å; P10-N88 WeakPolarHBondContact CB-O 3.46Å; P10-A89 WeakPolarHBondContact CD-O 3.18Å
11C90.9Very high88.5Confident36 Ų3662.1 Ų62.124%0.24332%0.322CS..THydrogen-bonded Turntrans-81.1-10.6175.759.40000114.8P9 W16 Q85 R87 A89P9-C11 PolarHBondContact O-N 2.63Å; P9-C11 VanDerWaalsContact O-N 3.08Å; C11-W16 PolarHBondContact O-NE1 3.08Å; C11-Q85 VanDerWaalsContact CB-NE2 3.29Å; C11-R87 VanDerWaalsContact CA-O 3.28Å; C11-R87 WeakPolarHBondContact CA-O 3.47Å; C11-A89 HydrophobicContact CB-CB 4.44Å
12D92.9Very high90Very high51 Ų5155.2 Ų55.227%0.27329%0.289SS..SBendtrans-62.9140.3-176.5-165-52000111.1A8 P9 I14 K15 W16A8-D12 HydrophobicContact CB-CB 3.9Å; P9-D12 HydrophobicContact CG-CB 4.06Å; P9-D12 WeakPolarHBondContact O-CB 3.1Å; P9-D12 PolarHBondContact O-N 2.94Å; D12-I14 PolarHBondContact O-N 3.32Å; D12-I14 WeakPolarHBondContact OD1-CG1 3.45Å; D12-I14 PolarHBondContact OD1-N 2.82Å; D12-K15 WeakPolarHBondContact O-CA 3.37Å; D12-K15 PolarHBondContact O-N 2.97Å; D12-W16 PolarHBondContact O-N 2.7Å
13E92.2Very high90.7Very high79 Ų7952.7 Ų52.737%0.36927%0.269SS..G310 helixtrans-52.5-29.5175.1-66.4-169.5-177.900112.9K15 W16 K62 R83E13-K15 PolarHBondContact O-N 3.04Å; E13-W16 HydrophobicContact CB-CD2 4.47Å; E13-W16 HydrophobicContact CG-CD2 4.31Å; E13-W16 HydrophobicContact CG-CH2 4.34Å; E13-W16 HydrophobicContact CG-CZ2 4.07Å; E13-W16 WeakPolarHBondContact O-CB 3.42Å; E13-W16 PolarHBondContact O-N 3.01Å; E13-K62 IonicContact OE1-NZ 2.69Å; E13-K62 PolarHBondContact OE1-NZ 3.38Å; E13-K62 IonicContact OE2-NZ 3.05Å; E13-K62 PolarHBondContact OE2-NZ 2.97Å; E13-R83 PolarHBondContact O-NH2 3.41Å
14I91.6Very high91Very high73 Ų7345.7 Ų45.737%0.37424%0.236SC..G310 helixtrans-61.5-33.5175.3-65.4171.7000111.3I4 Y5 D12I4-I14 HydrophobicContact CG2-CD1 3.74Å; Y5-I14 HydrophobicContact CD2-CG2 3.62Å; Y5-I14 HydrophobicContact CE2-CG2 4.43Å; Y5-I14 HydrophobicContact CG-CG2 4.33Å; D12-I14 PolarHBondContact O-N 3.32Å; D12-I14 WeakPolarHBondContact OD1-CG1 3.45Å; D12-I14 PolarHBondContact OD1-N 2.82Å
15K90.5Very high91.3Very high57 Ų5740.5 Ų40.525%0.24821%0.21CC..G310 helixtrans-89.7-7.2178.4-68.1-168172.6174.90113.7Y5 E6 A8 D12 E13Y5-K15 HydrophobicContact CD2-CG 4.35Å; Y5-K15 HydrophobicContact CE1-CG 4.37Å; Y5-K15 HydrophobicContact CE2-CB 4.47Å; Y5-K15 HydrophobicContact CE2-CG 3.86Å; Y5-K15 WeakPolarHBondContact O-CE 2.82Å; Y5-K15 PolarHBondContact O-NZ 3.43Å; E6-K15 PolarHBondContact O-NZ 3.44Å; A8-K15 WeakPolarHBondContact O-CE 3.4Å; A8-K15 PolarHBondContact O-NZ 2.99Å; D12-K15 WeakPolarHBondContact O-CA 3.37Å; D12-K15 PolarHBondContact O-N 2.97Å; E13-K15 PolarHBondContact O-N 3.04Å
16W92.9Very high91.6Very high30 Ų3039.2 Ų39.211%0.11421%0.21CC..SBendtrans-61.5141179.4-74.519.1000112.6C11 D12 E13 N60 K62 R83 L84 Q85C11-W16 PolarHBondContact O-NE1 3.08Å; D12-W16 PolarHBondContact O-N 2.7Å; E13-W16 HydrophobicContact CB-CD2 4.47Å; E13-W16 HydrophobicContact CG-CD2 4.31Å; E13-W16 HydrophobicContact CG-CH2 4.34Å; E13-W16 HydrophobicContact CG-CZ2 4.07Å; E13-W16 WeakPolarHBondContact O-CB 3.42Å; E13-W16 PolarHBondContact O-N 3.01Å; W16-N60 HydrophobicContact CH2-CB 4.03Å; W16-N60 HydrophobicContact CZ2-CB 4.23Å; W16-K62 HydrophobicContact CE3-CB 4.36Å; W16-K62 HydrophobicContact CZ3-CB 3.7Å; W16-R83 HydrophobicContact CB-CB 4.3Å; W16-R83 HydrophobicContact CE3-CB 3.77Å; W16-R83 PolarHBondContact O-NE 3.38Å; W16-R83 PolarHBondContact O-NH2 3.43Å; W16-L84 CarbonylContact C-O 3.53Å; W16-L84 VanDerWaalsContact CA-O 3.31Å; W16-L84 WeakPolarHBondContact CA-O 3.05Å; W16-L84 WeakPolarHBondContact CB-O 3.45Å; W16-Q85 HydrophobicContact CD2-CB 4.05Å; W16-Q85 HydrophobicContact CG-CB 4.38Å; W16-Q85 HydrophobicContact CZ2-CB 3.82Å; W16-Q85 HydrophobicContact CZ2-CG 4.43Å
17I91.2Very high91.8Very high25 Ų2539.3 Ų39.313%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-65.3145.4175.7-65.1-179000108.8R83 L84 L86 F106I17-R83 CarbonylContact O-C 3.47Å; I17-R83 VanDerWaalsContact O-CA 3.24Å; I17-R83 WeakPolarHBondContact O-CA 3.28Å; I17-L84 HydrophobicContact CB-CD1 3.98Å; I17-L84 HydrophobicContact CB-CG 3.98Å; I17-L84 HydrophobicContact CD1-CD1 4.37Å; I17-L84 HydrophobicContact CG1-CD1 4.49Å; I17-L84 HydrophobicContact CG2-CD2 4.49Å; I17-L84 HydrophobicContact CG2-CG 4.49Å; I17-L84 PolarHBondContact N-O 3.06Å; I17-L84 PolarHBondContact O-N 3.07Å; I17-L86 HydrophobicContact CD1-CB 3.92Å; I17-L86 HydrophobicContact CD1-CD2 3.54Å; I17-L86 HydrophobicContact CD1-CG 4.25Å; I17-L86 HydrophobicContact CG1-CB 4.41Å; I17-F106 HydrophobicContact CG2-CD1 4.49Å; I17-F106 HydrophobicContact CG2-CE1 4.34Å
18T92.3Very high91.9Very high39 Ų3934.9 Ų34.924%0.23918%0.183CC..EExtended strand (participates in β ladder)trans-111.2127.5177.3-57.40000110.3Y20 R81 R83T18-Y20 HydrophobicContact CG2-CD2 4.07Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; T18-R81 HydrophobicContact CG2-CB 3.92Å; T18-R81 HydrophobicContact CG2-CG 4.2Å; T18-R83 VanDerWaalsContact OG1-CD 3.31Å; T18-R83 WeakPolarHBondContact OG1-CD 3.17Å; T18-R83 PolarHBondContact OG1-NE 2.88Å; T18-R83 VanDerWaalsContact OG1-NE 3.07Å
19I92.5Very high92.1Very high0 Ų036.6 Ų36.60%020%0.195CC..EExtended strand (participates in β ladder)trans-115.5128.7170.5-52.6-173.9000108Y23 I50 L54 R81 V82 L84 F106 F107 L110I19-Y23 HydrophobicContact CG2-CD2 4.33Å; I19-I50 HydrophobicContact CG2-CG2 4.47Å; I19-L54 HydrophobicContact CD1-CD1 4.26Å; I19-R81 CarbonylContact O-C 3.53Å; I19-R81 WeakPolarHBondContact O-CA 3.42Å; I19-V82 HydrophobicContact CB-CB 4.4Å; I19-V82 PolarHBondContact N-O 3.46Å; I19-V82 PolarHBondContact O-N 3.07Å; I19-L84 HydrophobicContact CD1-CD2 3.49Å; I19-L84 VanDerWaalsContact CD1-CD2 3.49Å; I19-L84 HydrophobicContact CG1-CD2 3.94Å; I19-F106 HydrophobicContact CD1-CE1 4.09Å; I19-F107 HydrophobicContact CG1-CE1 4.07Å; I19-F107 HydrophobicContact CG2-CE1 4.34Å; I19-L110 HydrophobicContact CD1-CD2 3.48Å; I19-L110 VanDerWaalsContact CD1-CD2 3.48Å
20Y93.5Very high92.3Very high17 Ų1738 Ų387%0.06720%0.202CC..  trans-100.3144.5163-70.2-88.5000108.4T18 A22 Y23 Y68 G80 R81T18-Y20 HydrophobicContact CG2-CD2 4.07Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; Y20-A22 PolarHBondContact O-N 3.19Å; Y20-A22 VanDerWaalsContact O-N 3.16Å; Y20-Y23 HydrophobicContact CD2-CE1 4.22Å; Y20-Y23 HydrophobicContact CD2-CE2 4.03Å; Y20-Y23 AromaticContact CD2-CZ 3.65Å; Y20-Y23 WeakPolarHBondContact CD2-OH 3.4Å; Y20-Y23 VanDerWaalsContact O-CB 3.28Å; Y20-Y23 WeakPolarHBondContact O-CB 3.28Å; Y20-Y23 PolarHBondContact O-N 3.31Å; Y20-Y68 AromaticContact CD1-CD2 3.71Å; Y20-Y68 HydrophobicContact CD1-CD2 3.71Å; Y20-Y68 HydrophobicContact CD1-CG 4.04Å; Y20-Y68 AromaticContact CD2-CD2 3.61Å; Y20-Y68 HydrophobicContact CD2-CD2 3.61Å; Y20-Y68 HydrophobicContact CD2-CE2 4.08Å; Y20-Y68 HydrophobicContact CE1-CD2 4.13Å; Y20-Y68 HydrophobicContact CE2-CD2 4.04Å; Y20-Y68 AromaticContact CG-CD2 3.41Å; Y20-Y68 HydrophobicContact CG-CD2 3.41Å; Y20-Y68 VanDerWaalsContact CG-CD2 3.41Å; Y20-Y68 HydrophobicContact CG-CE2 4.22Å; Y20-Y68 HydrophobicContact CG-CG 4.03Å; Y20-G80 WeakPolarHBondContact CD1-O 3.17Å; Y20-R81 HydrophobicContact CD1-CB 3.8Å; Y20-R81 HydrophobicContact CE1-CB 3.64Å; Y20-R81 HydrophobicContact CE1-CG 4.45Å; Y20-R81 HydrophobicContact CE2-CB 4.49Å; Y20-R81 HydrophobicContact CG-CB 4.32Å
21P92.9Very high92.5Very high5 Ų539.7 Ų39.73%0.03222%0.22CC..G310 helixtrans-57.3-32.6179.3-22.430.8000113.7Y23 L24 N25 P45 C47 I50P21-Y23 PolarHBondContact O-N 2.78Å; P21-L24 PolarHBondContact O-N 2.81Å; P21-N25 PolarHBondContact O-N 3.33Å; P21-N25 VanDerWaalsContact O-N 3.12Å; P21-P45 HydrophobicContact CB-CG 4.31Å; P21-P45 WeakPolarHBondContact CB-O 3.47Å; P21-C47 WeakPolarHBondContact CG-SG 3.35Å; P21-I50 HydrophobicContact CB-CD1 3.96Å; P21-I50 HydrophobicContact CG-CD1 4.15Å
22A92.4Very high92.6Very high5 Ų541.6 Ų41.64%0.04123%0.225CC..G310 helixtrans-53-25.6173.300000114.3Y20 L24 K28 R34 Y68Y20-A22 PolarHBondContact O-N 3.19Å; Y20-A22 VanDerWaalsContact O-N 3.16Å; A22-L24 PolarHBondContact O-N 2.83Å; A22-K28 HydrophobicContact CB-CD 3.74Å; A22-R34 WeakPolarHBondContact O-CA 3.29Å; A22-R34 PolarHBondContact O-N 2.95Å; A22-Y68 HydrophobicContact CB-CD1 3.52Å; A22-Y68 HydrophobicContact CB-CE1 3.67Å; A22-Y68 HydrophobicContact CB-CG 4.21Å
23Y92.9Very high92.5Very high16 Ų1639.3 Ų39.36%0.06321%0.213CC..G310 helixtrans-66.6-29.1178-64.3-11.2000112.8I19 Y20 P21 G33 R35 V36 Y68 F107I19-Y23 HydrophobicContact CG2-CD2 4.33Å; Y20-Y23 HydrophobicContact CD2-CE1 4.22Å; Y20-Y23 HydrophobicContact CD2-CE2 4.03Å; Y20-Y23 AromaticContact CD2-CZ 3.65Å; Y20-Y23 WeakPolarHBondContact CD2-OH 3.4Å; Y20-Y23 VanDerWaalsContact O-CB 3.28Å; Y20-Y23 WeakPolarHBondContact O-CB 3.28Å; Y20-Y23 PolarHBondContact O-N 3.31Å; P21-Y23 PolarHBondContact O-N 2.78Å; Y23-G33 WeakPolarHBondContact CD1-O 3.43Å; Y23-R35 HydrophobicContact CD1-CG 3.74Å; Y23-R35 HydrophobicContact CE1-CG 4.29Å; Y23-R35 HydrophobicContact CG-CB 4.48Å; Y23-R35 HydrophobicContact CG-CG 3.88Å; Y23-R35 PolarHBondContact O-N 3.38Å; Y23-R35 PolarHBondContact OH-NH2 3.47Å; Y23-R35 VanDerWaalsContact OH-NH2 3.16Å; Y23-V36 WeakPolarHBondContact O-CG2 3.28Å; Y23-Y68 HydrophobicContact CD1-CE2 4.49Å; Y23-Y68 HydrophobicContact CE1-CD2 4.44Å; Y23-Y68 AromaticContact CE1-CE2 3.61Å; Y23-Y68 HydrophobicContact CE1-CE2 3.61Å; Y23-Y68 AromaticContact CE1-CZ 3.89Å; Y23-F107 AromaticContact CD2-CE1 3.59Å; Y23-F107 HydrophobicContact CD2-CE1 3.59Å; Y23-F107 AromaticContact CD2-CZ 3.61Å; Y23-F107 HydrophobicContact CD2-CZ 3.61Å; Y23-F107 HydrophobicContact CE2-CE1 4.32Å; Y23-F107 AromaticContact CE2-CZ 3.94Å; Y23-F107 HydrophobicContact CE2-CZ 3.94Å; Y23-F107 HydrophobicContact CG-CE1 4.43Å
24L92.4Very high92.6Very high0 Ų037.5 Ų37.50%020%0.203CC..THydrogen-bonded Turntrans-106.4-13.1-176.9-52.7-179.8000112.6P21 A22 S26 V36 A41 V42 P45 I50 L111 F114P21-L24 PolarHBondContact O-N 2.81Å; A22-L24 PolarHBondContact O-N 2.83Å; L24-S26 PolarHBondContact O-N 2.83Å; L24-V36 HydrophobicContact CD2-CG1 3.79Å; L24-V36 HydrophobicContact CD2-CG2 4.43Å; L24-A41 CarbonylContact O-C 3.59Å; L24-A41 WeakPolarHBondContact O-CA 3.47Å; L24-A41 WeakPolarHBondContact O-CB 3.31Å; L24-V42 PolarHBondContact O-N 2.92Å; L24-P45 HydrophobicContact CB-CG 4.09Å; L24-I50 HydrophobicContact CD1-CD1 4.11Å; L24-I50 HydrophobicContact CD1-CG1 4.24Å; L24-L111 HydrophobicContact CD2-CD1 4.37Å; L24-L111 HydrophobicContact CD2-CD2 3.92Å; L24-L111 HydrophobicContact CD2-CG 4.12Å; L24-F114 HydrophobicContact CD1-CE1 4.3Å; L24-F114 HydrophobicContact CD1-CE2 4.3Å; L24-F114 HydrophobicContact CD1-CZ 4.02Å
25N92.2Very high92.6Very high8 Ų840 Ų404%0.04321%0.208CC..BIsolated β-bridgetrans-70120-172.7-167.3-16.9000113.1P21 K27 K28 R34 V42 N44 P45P21-N25 PolarHBondContact O-N 3.33Å; P21-N25 VanDerWaalsContact O-N 3.12Å; N25-K27 VanDerWaalsContact C-N 3.32Å; N25-K27 PolarHBondContact O-N 3.49Å; N25-K27 WeakPolarHBondContact OD1-CB 3.46Å; N25-K27 PolarHBondContact OD1-N 2.77Å; N25-K28 HydrophobicContact CB-CB 4.44Å; N25-K28 HydrophobicContact CB-CG 4.31Å; N25-K28 PolarHBondContact O-N 2.98Å; N25-R34 WeakPolarHBondContact O-CD 3.15Å; N25-V42 CarbonylContact C-O 3.57Å; N25-V42 VanDerWaalsContact CA-O 3.25Å; N25-V42 WeakPolarHBondContact CA-O 3.07Å; N25-N44 PolarHBondContact ND2-OD1 2.92Å; N25-N44 PolarHBondContact OD1-N 2.8Å; N25-N44 VanDerWaalsContact OD1-N 3.15Å; N25-N44 PolarHBondContact OD1-OD1 2.81Å; N25-P45 HydrophobicContact CB-CG 4.25Å
26S94.4Very high92.7Very high32 Ų3237.4 Ų37.422%0.22420%0.197CC..THydrogen-bonded Turntrans-68.6-25.7177.966.70000113.7L24 K28 V42 E43L24-S26 PolarHBondContact O-N 2.83Å; S26-K28 PolarHBondContact O-N 3.42Å; S26-V42 PolarHBondContact N-O 3.42Å; S26-V42 PolarHBondContact OG-O 3.02Å; S26-E43 VanDerWaalsContact OG-CA 3.3Å; S26-E43 WeakPolarHBondContact OG-CA 3.4Å; S26-E43 PolarHBondContact OG-N 3.12Å
27K93Very high92.7Very high124 Ų12438.5 Ų38.554%0.53921%0.207SC..THydrogen-bonded Turntrans-75.2-10.5175.7-59.6-65.4179.7174.80113.3N25 E43N25-K27 VanDerWaalsContact C-N 3.32Å; N25-K27 PolarHBondContact O-N 3.49Å; N25-K27 WeakPolarHBondContact OD1-CB 3.46Å; N25-K27 PolarHBondContact OD1-N 2.77Å; K27-E43 WeakPolarHBondContact CE-OE1 3.25Å; K27-E43 HydrophobicContact CG-CG 4.33Å; K27-E43 IonicContact NZ-OE1 2.86Å; K27-E43 PolarHBondContact NZ-OE1 3.32Å; K27-E43 IonicContact NZ-OE2 3.74Å
28K91.9Very high92.7Very high22 Ų2242.5 Ų42.510%0.09623%0.229CC..SBendtrans-101.6140.1177.5-68.7-169.1-179.2-680111.4A22 N25 S26 E32 R34 D71A22-K28 HydrophobicContact CB-CD 3.74Å; N25-K28 HydrophobicContact CB-CB 4.44Å; N25-K28 HydrophobicContact CB-CG 4.31Å; N25-K28 PolarHBondContact O-N 2.98Å; S26-K28 PolarHBondContact O-N 3.42Å; K28-E32 HydrophobicContact CB-CB 4.02Å; K28-E32 HydrophobicContact CD-CB 4.4Å; K28-E32 HydrophobicContact CG-CB 4.34Å; K28-R34 WeakPolarHBondContact O-CB 3.31Å; K28-R34 WeakPolarHBondContact O-CD 3.24Å; K28-R34 PolarHBondContact O-NE 3.11Å; K28-D71 WeakPolarHBondContact CE-OD2 3.18Å; K28-D71 VanDerWaalsContact NZ-CG 3.27Å; K28-D71 IonicContact NZ-OD1 2.83Å; K28-D71 PolarHBondContact NZ-OD1 3.28Å; K28-D71 IonicContact NZ-OD2 3.24Å; K28-D71 PolarHBondContact NZ-OD2 3.48Å
29S93.9Very high92.7Very high46 Ų4645.5 Ų45.532%0.32226%0.258SS..  trans-72.6169168.9680000111.7A31 E32 G33 R34S29-A31 VanDerWaalsContact C-N 3.26Å; S29-A31 PolarHBondContact O-N 2.62Å; S29-E32 VanDerWaalsContact CB-OE2 3.24Å; S29-E32 WeakPolarHBondContact CB-OE2 3.31Å; S29-E32 PolarHBondContact N-OE2 2.7Å; S29-E32 PolarHBondContact O-N 3.16Å; S29-E32 VanDerWaalsContact OG-CG 3.26Å; S29-E32 WeakPolarHBondContact OG-CG 3.17Å; S29-E32 PolarHBondContact OG-N 3.07Å; S29-E32 PolarHBondContact OG-OE2 3.43Å; S29-G33 PolarHBondContact O-N 2.99Å; S29-R34 WeakPolarHBondContact O-CB 3.38Å; S29-R34 PolarHBondContact O-N 2.93Å
30V93.5Very high92.6Very high91 Ų9150.2 Ų50.255%0.55228%0.278SS*.THydrogen-bonded Turntrans-62.4-37173.9179.90000111E32 G33V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 2.93Å; V30-G33 PolarHBondContact O-N 2.63Å; V30-G33 VanDerWaalsContact O-N 3.09Å
31A92.8Very high92.6Very high78 Ų7850.3 Ų50.365%0.64528%0.282SS*.THydrogen-bonded Turntrans-62.1-42.2176.700000111.5S29 G33 R70S29-A31 VanDerWaalsContact C-N 3.26Å; S29-A31 PolarHBondContact O-N 2.62Å; A31-G33 PolarHBondContact O-N 2.89Å; A31-R70 PolarHBondContact O-NH1 2.95Å
32E92.1Very high92.6Very high75 Ų7552.1 Ų52.135%0.3529%0.293SS..THydrogen-bonded Turntrans-73.90.1175.9-67.2167.1118.300113.9K28 S29 V30 Y68K28-E32 HydrophobicContact CB-CB 4.02Å; K28-E32 HydrophobicContact CD-CB 4.4Å; K28-E32 HydrophobicContact CG-CB 4.34Å; S29-E32 VanDerWaalsContact CB-OE2 3.24Å; S29-E32 WeakPolarHBondContact CB-OE2 3.31Å; S29-E32 PolarHBondContact N-OE2 2.7Å; S29-E32 PolarHBondContact O-N 3.16Å; S29-E32 VanDerWaalsContact OG-CG 3.26Å; S29-E32 WeakPolarHBondContact OG-CG 3.17Å; S29-E32 PolarHBondContact OG-N 3.07Å; S29-E32 PolarHBondContact OG-OE2 3.43Å; V30-E32 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 2.93Å; E32-Y68 WeakPolarHBondContact O-CE1 3.23Å
33G92.5Very high92.6Very high3 Ų357.5 Ų57.53%0.03132%0.317CS..THydrogen-bonded Turntrans114.2-3.2168.800000116.1Y23 S29 V30 A31 R35 Y68Y23-G33 WeakPolarHBondContact CD1-O 3.43Å; S29-G33 PolarHBondContact O-N 2.99Å; V30-G33 PolarHBondContact O-N 2.63Å; V30-G33 VanDerWaalsContact O-N 3.09Å; A31-G33 PolarHBondContact O-N 2.89Å; G33-R35 WeakPolarHBondContact O-CG 3.25Å; G33-R35 PolarHBondContact O-N 3.38Å; G33-Y68 VanDerWaalsContact CA-OH 3.25Å; G33-Y68 WeakPolarHBondContact CA-OH 3.27Å
34R93Very high92.5Very high41 Ų4159.4 Ų59.416%0.15533%0.329CS..  trans-57.4128.7175.2-179.417450.180.8-4.5110.3A22 N25 K28 S29 V36A22-R34 WeakPolarHBondContact O-CA 3.29Å; A22-R34 PolarHBondContact O-N 2.95Å; N25-R34 WeakPolarHBondContact O-CD 3.15Å; K28-R34 WeakPolarHBondContact O-CB 3.31Å; K28-R34 WeakPolarHBondContact O-CD 3.24Å; K28-R34 PolarHBondContact O-NE 3.11Å; S29-R34 WeakPolarHBondContact O-CB 3.38Å; S29-R34 PolarHBondContact O-N 2.93Å; R34-V36 WeakPolarHBondContact CD-O 3.26Å; R34-V36 HydrophobicContact CG-CG2 4.22Å; R34-V36 VanDerWaalsContact CG-O 3.29Å; R34-V36 WeakPolarHBondContact CG-O 3.47Å; R34-V36 PolarHBondContact NH1-O 2.75Å
35R92.6Very high92.5Very high126 Ų12659.5 Ų59.548%0.47533%0.329SS..  trans-109.1-5.2-177-63.4-166.6172.2-165.6-4.9114Y23 G33Y23-R35 HydrophobicContact CD1-CG 3.74Å; Y23-R35 HydrophobicContact CE1-CG 4.29Å; Y23-R35 HydrophobicContact CG-CB 4.48Å; Y23-R35 HydrophobicContact CG-CG 3.88Å; Y23-R35 PolarHBondContact O-N 3.38Å; Y23-R35 PolarHBondContact OH-NH2 3.47Å; Y23-R35 VanDerWaalsContact OH-NH2 3.16Å; G33-R35 WeakPolarHBondContact O-CG 3.25Å; G33-R35 PolarHBondContact O-N 3.38Å
36V91.6Very high92.5Very high3 Ų360.8 Ų60.82%0.01834%0.337CS..SBendtrans-118.9150.4-174.8-56.70000109.8Y23 L24 R34 A41 F107 L111Y23-V36 WeakPolarHBondContact O-CG2 3.28Å; L24-V36 HydrophobicContact CD2-CG1 3.79Å; L24-V36 HydrophobicContact CD2-CG2 4.43Å; R34-V36 WeakPolarHBondContact CD-O 3.26Å; R34-V36 HydrophobicContact CG-CG2 4.22Å; R34-V36 VanDerWaalsContact CG-O 3.29Å; R34-V36 WeakPolarHBondContact CG-O 3.47Å; R34-V36 PolarHBondContact NH1-O 2.75Å; V36-A41 HydrophobicContact CG2-CB 3.94Å; V36-F107 HydrophobicContact CG1-CB 3.83Å; V36-L111 HydrophobicContact CB-CD1 3.44Å; V36-L111 VanDerWaalsContact CB-CD1 3.44Å; V36-L111 HydrophobicContact CG1-CD1 3.38Å; V36-L111 HydrophobicContact CG1-CG 4.4Å; V36-L111 HydrophobicContact CG2-CD1 3.84Å
37P92.5Very high92.5Very high52 Ų5259.6 Ų59.634%0.33833%0.329SS..  trans-58.4149.9175-21.832.2000111.6A39 K40 A41 F108P37-A39 PolarHBondContact O-N 3.36Å; P37-K40 CarbonylContact O-C 3.3Å; P37-K40 PolarHBondContact O-N 2.82Å; P37-A41 PolarHBondContact O-N 3.45Å; P37-A41 VanDerWaalsContact O-N 3.14Å; P37-F108 HydrophobicContact CG-CD1 4.42Å; P37-F108 HydrophobicContact CG-CE1 3.43Å; P37-F108 VanDerWaalsContact CG-CE1 3.43Å; P37-F108 HydrophobicContact CG-CZ 3.98Å
38L92.5Very high92.5Very high110 Ų11057 Ų5758%0.57633%0.326SS*.G310 helixtrans-56.3-39.6-178.2-175.862.8000112.3K40 A41L38-K40 PolarHBondContact O-N 3.28Å; L38-K40 VanDerWaalsContact O-N 3.1Å; L38-A41 WeakPolarHBondContact O-CB 3.34Å; L38-A41 PolarHBondContact O-N 3.16Å
39A92.3Very high92.5Very high102 Ų10260.4 Ų60.484%0.84334%0.343SS*.G310 helixtrans-63.2-14.9178.500000114.7P37P37-A39 PolarHBondContact O-N 3.36Å
40K90.5Very high92.5Very high99 Ų9958.2 Ų58.243%0.4333%0.327SS..G310 helixtrans-1198.7175-54.1-171.5170.7-171.60112.5P37 L38 L111P37-K40 CarbonylContact O-C 3.3Å; P37-K40 PolarHBondContact O-N 2.82Å; L38-K40 PolarHBondContact O-N 3.28Å; L38-K40 VanDerWaalsContact O-N 3.1Å; K40-L111 HydrophobicContact CB-CD1 3.73Å; K40-L111 VanDerWaalsContact O-CD1 3.22Å; K40-L111 WeakPolarHBondContact O-CD1 3.3Å; K40-L111 WeakPolarHBondContact O-CD2 2.77Å
41A92.6Very high92.5Very high19 Ų1954 Ų5416%0.15730%0.302CS..  trans-84149.7178.200000109.7L24 V36 P37 L38L24-A41 CarbonylContact O-C 3.59Å; L24-A41 WeakPolarHBondContact O-CA 3.47Å; L24-A41 WeakPolarHBondContact O-CB 3.31Å; V36-A41 HydrophobicContact CG2-CB 3.94Å; P37-A41 PolarHBondContact O-N 3.45Å; P37-A41 VanDerWaalsContact O-N 3.14Å; L38-A41 WeakPolarHBondContact O-CB 3.34Å; L38-A41 PolarHBondContact O-N 3.16Å
42V92.6Very high92.6Very high42 Ų4255.8 Ų55.826%0.25530%0.297SS..BIsolated β-bridgetrans-105.6143.1-179.7-179.50000108.8L24 N25 S26 N44 P45 L111 F114L24-V42 PolarHBondContact O-N 2.92Å; N25-V42 CarbonylContact C-O 3.57Å; N25-V42 VanDerWaalsContact CA-O 3.25Å; N25-V42 WeakPolarHBondContact CA-O 3.07Å; S26-V42 PolarHBondContact N-O 3.42Å; S26-V42 PolarHBondContact OG-O 3.02Å; V42-N44 PolarHBondContact O-N 2.63Å; V42-P45 HydrophobicContact CG1-CB 4.38Å; V42-P45 WeakPolarHBondContact O-CD 3.41Å; V42-L111 HydrophobicContact CG2-CD2 4.47Å; V42-F114 HydrophobicContact CG2-CB 4.2Å; V42-F114 HydrophobicContact CG2-CD1 4.22Å
43E93Very high92.5Very high118 Ų11854.1 Ų54.155%0.55129%0.29SS*.SBendtrans-71.4122.1175.9179.1161.3-169.800111S26 K27S26-E43 VanDerWaalsContact OG-CA 3.3Å; S26-E43 WeakPolarHBondContact OG-CA 3.4Å; S26-E43 PolarHBondContact OG-N 3.12Å; K27-E43 WeakPolarHBondContact CE-OE1 3.25Å; K27-E43 HydrophobicContact CG-CG 4.33Å; K27-E43 IonicContact NZ-OE1 2.86Å; K27-E43 PolarHBondContact NZ-OE1 3.32Å; K27-E43 IonicContact NZ-OE2 3.74Å
44N91.6Very high92.5Very high57 Ų5754 Ų5431%0.30529%0.289SS..SBendtrans43.852.3171.5-68.6-29.6000115.7N25 V42 F78N25-N44 PolarHBondContact ND2-OD1 2.92Å; N25-N44 PolarHBondContact OD1-N 2.8Å; N25-N44 VanDerWaalsContact OD1-N 3.15Å; N25-N44 PolarHBondContact OD1-OD1 2.81Å; V42-N44 PolarHBondContact O-N 2.63Å; N44-F78 HydrophobicContact CB-CE1 3.77Å; N44-F78 HydrophobicContact CB-CZ 3.88Å
45P92.2Very high92.5Very high2 Ų257.9 Ų57.91%0.01331%0.307CS..  trans-63.7143.7179.229.2-35.7000110.5P21 L24 N25 V42 I50P21-P45 HydrophobicContact CB-CG 4.31Å; P21-P45 WeakPolarHBondContact CB-O 3.47Å; L24-P45 HydrophobicContact CB-CG 4.09Å; N25-P45 HydrophobicContact CB-CG 4.25Å; V42-P45 HydrophobicContact CG1-CB 4.38Å; V42-P45 WeakPolarHBondContact O-CD 3.41Å; P45-I50 HydrophobicContact CB-CD1 4.18Å; P45-I50 HydrophobicContact CB-CG1 4.28Å
46T92.4Very high92.4Very high34 Ų3458.3 Ų58.321%0.20932%0.319CS..  trans-100.2159.6176.166.70000111.3S48 E49 I50 F78T46-S48 PolarHBondContact O-N 3.26Å; T46-E49 WeakPolarHBondContact CB-OE2 3.32Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.35Å; T46-E49 PolarHBondContact N-OE2 2.8Å; T46-E49 PolarHBondContact O-N 3.07Å; T46-E49 VanDerWaalsContact OG1-CD 3.23Å; T46-E49 VanDerWaalsContact OG1-CG 3.23Å; T46-E49 WeakPolarHBondContact OG1-CG 3.35Å; T46-E49 PolarHBondContact OG1-N 2.69Å; T46-E49 PolarHBondContact OG1-OE2 2.78Å; T46-I50 VanDerWaalsContact O-CG1 3.27Å; T46-I50 WeakPolarHBondContact O-CG1 3.28Å; T46-I50 PolarHBondContact O-N 2.8Å; T46-I50 VanDerWaalsContact O-N 3.16Å; T46-F78 HydrophobicContact CG2-CE1 4.43Å
47C93.3Very high92.2Very high8 Ų858.9 Ų58.95%0.05432%0.321CS..Hα-helixtrans-60.1-33.7174.4-70.30000112.3P21 A51 I63 Q79 G80 V82P21-C47 WeakPolarHBondContact CG-SG 3.35Å; C47-A51 VanDerWaalsContact O-CB 3.27Å; C47-A51 WeakPolarHBondContact O-CB 3.28Å; C47-A51 PolarHBondContact O-N 3.43Å; C47-I63 HydrophobicContact CB-CD1 4.41Å; C47-I63 HydrophobicContact CB-CG2 3.97Å; C47-Q79 PolarHBondContact SG-O 3.36Å; C47-Q79 VanDerWaalsContact SG-O 3.38Å; C47-G80 VanDerWaalsContact SG-CA 3.57Å; C47-V82 HydrophobicContact CB-CG2 3.92Å; C47-V82 WeakPolarHBondContact O-CG2 3.27Å
48S93.5Very high92.1Very high68 Ų6863.8 Ų63.848%0.47634%0.34SS..Hα-helixtrans-67.3-50.8-179.9-580000111.6T46 I50 A51 E52T46-S48 PolarHBondContact O-N 3.26Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 2.86Å; S48-A51 PolarHBondContact O-N 3.09Å; S48-A51 VanDerWaalsContact O-N 3.09Å; S48-E52 WeakPolarHBondContact O-CG 3.37Å; S48-E52 PolarHBondContact O-N 3.21Å
49E92.6Very high92Very high94 Ų9458.8 Ų58.844%0.43931%0.314SS..Hα-helixtrans-59.9-44.7178.1-68.9160.6143.400111.5T46 A51 E52 I53T46-E49 WeakPolarHBondContact CB-OE2 3.32Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.35Å; T46-E49 PolarHBondContact N-OE2 2.8Å; T46-E49 PolarHBondContact O-N 3.07Å; T46-E49 VanDerWaalsContact OG1-CD 3.23Å; T46-E49 VanDerWaalsContact OG1-CG 3.23Å; T46-E49 WeakPolarHBondContact OG1-CG 3.35Å; T46-E49 PolarHBondContact OG1-N 2.69Å; T46-E49 PolarHBondContact OG1-OE2 2.78Å; E49-A51 VanDerWaalsContact C-N 3.28Å; E49-A51 PolarHBondContact O-N 3.29Å; E49-E52 PolarHBondContact O-N 2.91Å; E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 3.26Å
50I93.1Very high92Very high0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-60.2-42.6176.9-65.5169.5000110.3I19 P21 L24 P45 T46 S48 L54 V82 F114I19-I50 HydrophobicContact CG2-CG2 4.47Å; P21-I50 HydrophobicContact CB-CD1 3.96Å; P21-I50 HydrophobicContact CG-CD1 4.15Å; L24-I50 HydrophobicContact CD1-CD1 4.11Å; L24-I50 HydrophobicContact CD1-CG1 4.24Å; P45-I50 HydrophobicContact CB-CD1 4.18Å; P45-I50 HydrophobicContact CB-CG1 4.28Å; T46-I50 VanDerWaalsContact O-CG1 3.27Å; T46-I50 WeakPolarHBondContact O-CG1 3.28Å; T46-I50 PolarHBondContact O-N 2.8Å; T46-I50 VanDerWaalsContact O-N 3.16Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 2.86Å; I50-L54 HydrophobicContact CG2-CD1 3.79Å; I50-L54 HydrophobicContact CG2-CG 4.49Å; I50-L54 WeakPolarHBondContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CD1 3.43Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 3.16Å; I50-L54 VanDerWaalsContact O-N 3.08Å; I50-V82 HydrophobicContact CB-CG2 4.06Å; I50-V82 HydrophobicContact CG2-CB 4.12Å; I50-V82 HydrophobicContact CG2-CG1 4.18Å; I50-V82 HydrophobicContact CG2-CG2 3.88Å; I50-F114 HydrophobicContact CB-CZ 4.26Å; I50-F114 HydrophobicContact CG1-CE1 4.06Å; I50-F114 HydrophobicContact CG1-CZ 4.03Å; I50-F114 HydrophobicContact CG2-CZ 4.2Å
51A93.7Very high92.2Very high2 Ų254.5 Ų54.52%0.01728%0.282CS..Hα-helixtrans-68.9-38.6-179.400000112.8C47 S48 E49 L54 K55 V61 I63 V82C47-A51 VanDerWaalsContact O-CB 3.27Å; C47-A51 WeakPolarHBondContact O-CB 3.28Å; C47-A51 PolarHBondContact O-N 3.43Å; S48-A51 PolarHBondContact O-N 3.09Å; S48-A51 VanDerWaalsContact O-N 3.09Å; E49-A51 VanDerWaalsContact C-N 3.28Å; E49-A51 PolarHBondContact O-N 3.29Å; A51-L54 PolarHBondContact O-N 2.73Å; A51-K55 WeakPolarHBondContact O-CB 3.39Å; A51-K55 VanDerWaalsContact O-CG 3.23Å; A51-K55 WeakPolarHBondContact O-CG 3.22Å; A51-K55 PolarHBondContact O-N 3.23Å; A51-V61 HydrophobicContact CB-CG1 3.69Å; A51-I63 HydrophobicContact CB-CD1 3.76Å; A51-I63 HydrophobicContact CB-CG1 3.87Å; A51-V82 HydrophobicContact CB-CG1 4.27Å
52E93.8Very high92.4Very high116 Ų11657.6 Ų57.654%0.54229%0.292SS..Hα-helixtrans-62.2-47.3175.8-74.7174.6-172.900111.4S48 E49 L54 K55 N56S48-E52 WeakPolarHBondContact O-CG 3.37Å; S48-E52 PolarHBondContact O-N 3.21Å; E49-E52 PolarHBondContact O-N 2.91Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.14Å; E52-K55 PolarHBondContact O-N 2.89Å; E52-N56 PolarHBondContact O-N 3Å; E52-N56 PolarHBondContact O-ND2 3.47Å; E52-N56 PolarHBondContact O-OD1 3.06Å
53I91.5Very high92.5Very high41 Ų4159.5 Ų59.521%0.2130%0.3CS..Hα-helixtrans-61.4-43.8177.4-68.8165.2000110.9E49 K55 N56 I57 F113 F114E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 3.26Å; I53-K55 PolarHBondContact O-N 3.3Å; I53-N56 WeakPolarHBondContact O-CB 3.41Å; I53-N56 PolarHBondContact O-N 3.18Å; I53-I57 HydrophobicContact CG2-CD1 4.05Å; I53-I57 WeakPolarHBondContact O-CD1 3.29Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.94Å; I53-F113 HydrophobicContact CG2-CB 4.16Å; I53-F114 HydrophobicContact CB-CE1 4.4Å; I53-F114 HydrophobicContact CB-CE2 4.4Å; I53-F114 HydrophobicContact CB-CZ 4.11Å; I53-F114 HydrophobicContact CD1-CD1 3.35Å; I53-F114 HydrophobicContact CD1-CE1 3.24Å; I53-F114 HydrophobicContact CD1-CE2 4.43Å; I53-F114 HydrophobicContact CD1-CG 4.03Å; I53-F114 HydrophobicContact CD1-CZ 3.83Å; I53-F114 HydrophobicContact CG1-CE1 4.39Å; I53-F114 HydrophobicContact CG2-CD2 4.09Å; I53-F114 HydrophobicContact CG2-CE1 4.49Å; I53-F114 HydrophobicContact CG2-CE2 3.8Å; I53-F114 HydrophobicContact CG2-CZ 4.01Å
54L91.6Very high92.6Very high0 Ų055.8 Ų55.80%028%0.282CS..Hα-helixtrans-63.7-39.3176.9-74.2167.5000112.8I19 I50 A51 E52 N56 I57 L59 V61 V82 L84 L110I19-L54 HydrophobicContact CD1-CD1 4.26Å; I50-L54 HydrophobicContact CG2-CD1 3.79Å; I50-L54 HydrophobicContact CG2-CG 4.49Å; I50-L54 WeakPolarHBondContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CD1 3.43Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 3.16Å; I50-L54 VanDerWaalsContact O-N 3.08Å; A51-L54 PolarHBondContact O-N 2.73Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.14Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-I57 CarbonylContact O-C 3.55Å; L54-I57 PolarHBondContact O-N 3.27Å; L54-L59 HydrophobicContact CD2-CD1 3.61Å; L54-L59 WeakPolarHBondContact O-CB 3.44Å; L54-L59 PolarHBondContact O-N 3.15Å; L54-L59 VanDerWaalsContact O-N 3.14Å; L54-V61 HydrophobicContact CB-CG2 3.39Å; L54-V61 HydrophobicContact CD1-CG1 4.43Å; L54-V61 HydrophobicContact CD1-CG2 4.14Å; L54-V61 HydrophobicContact CG-CG2 4.38Å; L54-V82 HydrophobicContact CD1-CG1 3.66Å; L54-L84 HydrophobicContact CD1-CB 4.49Å; L54-L84 HydrophobicContact CD1-CD2 3.91Å; L54-L84 HydrophobicContact CD2-CD2 3.92Å; L54-L110 HydrophobicContact CD2-CD1 3.3Å; L54-L110 HydrophobicContact CD2-CD2 4.12Å; L54-L110 HydrophobicContact CD2-CG 4.31Å; L54-L110 HydrophobicContact CG-CD1 4.37Å
55K92.3Very high92.6Very high123 Ų12361.1 Ų61.154%0.53530%0.303SS..Hα-helixtrans-64.7-38.2174.3-75.5171.6-179.4-179.30111.8A51 E52 I53 I57 Q58 V61A51-K55 WeakPolarHBondContact O-CB 3.39Å; A51-K55 VanDerWaalsContact O-CG 3.23Å; A51-K55 WeakPolarHBondContact O-CG 3.22Å; A51-K55 PolarHBondContact O-N 3.23Å; E52-K55 PolarHBondContact O-N 2.89Å; I53-K55 PolarHBondContact O-N 3.3Å; K55-I57 PolarHBondContact O-N 3.18Å; K55-Q58 WeakPolarHBondContact O-CA 3.33Å; K55-Q58 PolarHBondContact O-N 3.45Å; K55-V61 HydrophobicContact CG-CB 4.33Å; K55-V61 HydrophobicContact CG-CG2 4.33Å
56N91.2Very high92.6Very high135 Ų13565.3 Ų65.372%0.72232%0.321SS*.Hα-helixtrans-63.2-28.2175.7-67.8-15.7000112.2E52 I53 L54 Q58E52-N56 PolarHBondContact O-N 3Å; E52-N56 PolarHBondContact O-ND2 3.47Å; E52-N56 PolarHBondContact O-OD1 3.06Å; I53-N56 WeakPolarHBondContact O-CB 3.41Å; I53-N56 PolarHBondContact O-N 3.18Å; L54-N56 VanDerWaalsContact C-N 3.34Å; N56-Q58 PolarHBondContact O-N 3.18Å
57I88.3Confident92.4Very high14 Ų1466.5 Ų66.57%0.07233%0.325CS..THydrogen-bonded Turntrans-8616173.2-50.9154.1000111.1I53 L54 K55 L59 N95 L110 F113I53-I57 HydrophobicContact CG2-CD1 4.05Å; I53-I57 WeakPolarHBondContact O-CD1 3.29Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.94Å; L54-I57 CarbonylContact O-C 3.55Å; L54-I57 PolarHBondContact O-N 3.27Å; K55-I57 PolarHBondContact O-N 3.18Å; I57-L59 VanDerWaalsContact C-N 3.26Å; I57-L59 PolarHBondContact O-N 3.39Å; I57-N95 VanDerWaalsContact CG2-ND2 3.31Å; I57-N95 WeakPolarHBondContact CG2-ND2 3.3Å; I57-N95 PolarHBondContact O-ND2 2.79Å; I57-L110 HydrophobicContact CD1-CD1 4.39Å; I57-F113 HydrophobicContact CD1-CB 3.48Å; I57-F113 VanDerWaalsContact CD1-CB 3.48Å; I57-F113 HydrophobicContact CD1-CD1 3.82Å; I57-F113 HydrophobicContact CD1-CD2 3.55Å; I57-F113 HydrophobicContact CD1-CE1 4.4Å; I57-F113 HydrophobicContact CD1-CE2 4.17Å; I57-F113 HydrophobicContact CD1-CG 3.34Å; I57-F113 HydrophobicContact CG1-CB 4.22Å; I57-F113 HydrophobicContact CG1-CD1 3.77Å; I57-F113 HydrophobicContact CG1-CD2 4.32Å; I57-F113 HydrophobicContact CG1-CE1 4.13Å; I57-F113 HydrophobicContact CG1-CG 3.86Å; I57-F113 HydrophobicContact CG2-CE1 4.28Å; I57-F113 HydrophobicContact CG2-CE2 4.36Å; I57-F113 HydrophobicContact CG2-CZ 4.09Å
58Q89.3Confident92.3Very high156 Ų15667 Ų6773%0.72933%0.325SS*.THydrogen-bonded Turntrans59.133177.3-56.7176.1-19.700113.8K55 N56K55-Q58 WeakPolarHBondContact O-CA 3.33Å; K55-Q58 PolarHBondContact O-N 3.45Å; N56-Q58 PolarHBondContact O-N 3.18Å
59L90.5Very high92.1Very high5 Ų568.5 Ų68.53%0.02633%0.334CS..  trans-94.3145.6170.3-67177.4000111.6L54 I57 V61 L84 V94 N95 L98L54-L59 HydrophobicContact CD2-CD1 3.61Å; L54-L59 WeakPolarHBondContact O-CB 3.44Å; L54-L59 PolarHBondContact O-N 3.15Å; L54-L59 VanDerWaalsContact O-N 3.14Å; I57-L59 VanDerWaalsContact C-N 3.26Å; I57-L59 PolarHBondContact O-N 3.39Å; L59-V61 HydrophobicContact CB-CG2 4.31Å; L59-L84 HydrophobicContact CD1-CD1 4.33Å; L59-V94 HydrophobicContact CD2-CB 3.94Å; L59-V94 HydrophobicContact CD2-CG1 3.94Å; L59-N95 HydrophobicContact CD2-CB 4.23Å; L59-L98 HydrophobicContact CD1-CD1 3.59Å; L59-L98 HydrophobicContact CD2-CD1 3.65Å; L59-L98 HydrophobicContact CG-CD1 3.94Å
60N93.3Very high91.9Very high86 Ų8671.2 Ų71.246%0.4634%0.34SS..  trans-76.3128167.6-67.7-33.8000109.6W16 L84 Q85W16-N60 HydrophobicContact CH2-CB 4.03Å; W16-N60 HydrophobicContact CZ2-CB 4.23Å; N60-L84 VanDerWaalsContact O-CA 3.29Å; N60-L84 WeakPolarHBondContact O-CA 3.38Å; N60-Q85 HydrophobicContact CB-CB 3.89Å; N60-Q85 PolarHBondContact ND2-OE1 2.91Å; N60-Q85 PolarHBondContact O-N 3.24Å
61V94.7Very high91.3Very high25 Ų2572.2 Ų72.215%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-136.8141.5-170.1-178.90000110.8A51 L54 K55 L59 V82 R83 L84A51-V61 HydrophobicContact CB-CG1 3.69Å; L54-V61 HydrophobicContact CB-CG2 3.39Å; L54-V61 HydrophobicContact CD1-CG1 4.43Å; L54-V61 HydrophobicContact CD1-CG2 4.14Å; L54-V61 HydrophobicContact CG-CG2 4.38Å; K55-V61 HydrophobicContact CG-CB 4.33Å; K55-V61 HydrophobicContact CG-CG2 4.33Å; L59-V61 HydrophobicContact CB-CG2 4.31Å; V61-V82 HydrophobicContact CG1-CG1 3.32Å; V61-R83 CarbonylContact C-O 3.58Å; V61-R83 VanDerWaalsContact CA-O 3.28Å; V61-R83 WeakPolarHBondContact CA-O 3.16Å; V61-L84 HydrophobicContact CG2-CB 4.39Å
62K96Very high90.5Very high83 Ų8376.3 Ų76.336%0.36137%0.372SS..EExtended strand (participates in β ladder)trans-134.4131.6174.7-177176-172.5169.10110.1E13 W16 E64 R83E13-K62 IonicContact OE1-NZ 2.69Å; E13-K62 PolarHBondContact OE1-NZ 3.38Å; E13-K62 IonicContact OE2-NZ 3.05Å; E13-K62 PolarHBondContact OE2-NZ 2.97Å; W16-K62 HydrophobicContact CE3-CB 4.36Å; W16-K62 HydrophobicContact CZ3-CB 3.7Å; K62-E64 HydrophobicContact CG-CG 4.42Å; K62-R83 HydrophobicContact CB-CB 4.38Å; K62-R83 PolarHBondContact N-O 3.35Å; K62-R83 PolarHBondContact O-N 2.83Å
63I95.3Very high89.4Confident82 Ų8275.9 Ų75.942%0.42137%0.373SS..EExtended strand (participates in β ladder)trans-92.4131.3172.1-59175.3000107.8C47 A51C47-I63 HydrophobicContact CB-CD1 4.41Å; C47-I63 HydrophobicContact CB-CG2 3.97Å; A51-I63 HydrophobicContact CB-CD1 3.76Å; A51-I63 HydrophobicContact CB-CG1 3.87Å
64E95.1Very high88.7Confident41 Ų4182.5 Ų82.519%0.19240%0.396CS..EExtended strand (participates in β ladder)trans-121.5139.4174.6-66177.2-166.300110.5K62 K66 G80 R81 R83K62-E64 HydrophobicContact CG-CG 4.42Å; E64-K66 PolarHBondContact O-N 3Å; E64-G80 CarbonylContact O-C 3.55Å; E64-G80 WeakPolarHBondContact O-CA 3.32Å; E64-R81 HydrophobicContact CB-CG 4Å; E64-R81 PolarHBondContact N-O 3.07Å; E64-R81 PolarHBondContact O-N 3.08Å; E64-R81 IonicContact OE1-NH2 3.95Å; E64-R81 IonicContact OE2-CZ 2.62Å; E64-R81 IonicContact OE2-NE 2.89Å; E64-R81 PolarHBondContact OE2-NE 3.4Å; E64-R81 IonicContact OE2-NH2 2.63Å; E64-R81 PolarHBondContact OE2-NH2 3.16Å; E64-R83 HydrophobicContact CG-CG 4.18Å; E64-R83 WeakPolarHBondContact OE1-CG 3.49Å; E64-R83 IonicContact OE1-NH1 3.11Å; E64-R83 PolarHBondContact OE1-NH1 3.08Å; E64-R83 VanDerWaalsContact OE1-NH1 3.11Å; E64-R83 IonicContact OE2-NH1 3.97Å
65K91.5Very high88.1Confident168 Ų16886.2 Ų86.273%0.7342%0.416SS*.  trans-7690.9174.8-171172177.5172.20109.9
66K91.1Very high87.4Confident90 Ų9090.1 Ų90.139%0.39143%0.427SS..  trans-140.2132-180-142.1-73.3-173178.40109.8E64 G80 R81E64-K66 PolarHBondContact O-N 3Å; K66-G80 CarbonylContact O-C 3.55Å; K66-G80 VanDerWaalsContact O-C 3.3Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 3.37Å; K66-G80 VanDerWaalsContact O-N 3.08Å; K66-R81 HydrophobicContact CB-CG 3.97Å
67M88.7Confident86.7Confident59 Ų5990.8 Ų90.829%0.29143%0.426SS..  trans-73.9137.5176.1-167.663.275.400111.3R74 Q79M67-R74 HydrophobicContact CE-CB 3.56Å; M67-R74 HydrophobicContact CE-CG 3.65Å; M67-R74 HydrophobicContact SD-CB 4.39Å; M67-R74 HydrophobicContact SD-CG 4.24Å; M67-Q79 HydrophobicContact CE-CG 3.66Å; M67-Q79 HydrophobicContact SD-CG 4Å
68Y90.7Very high86.1Confident18 Ų1892.6 Ų92.67%0.07143%0.433CS..  trans-71.3124.9169.5-178.7-125.7000109.7Y20 A22 Y23 E32 G33 R70 D71Y20-Y68 AromaticContact CD1-CD2 3.71Å; Y20-Y68 HydrophobicContact CD1-CD2 3.71Å; Y20-Y68 HydrophobicContact CD1-CG 4.04Å; Y20-Y68 AromaticContact CD2-CD2 3.61Å; Y20-Y68 HydrophobicContact CD2-CD2 3.61Å; Y20-Y68 HydrophobicContact CD2-CE2 4.08Å; Y20-Y68 HydrophobicContact CE1-CD2 4.13Å; Y20-Y68 HydrophobicContact CE2-CD2 4.04Å; Y20-Y68 AromaticContact CG-CD2 3.41Å; Y20-Y68 HydrophobicContact CG-CD2 3.41Å; Y20-Y68 VanDerWaalsContact CG-CD2 3.41Å; Y20-Y68 HydrophobicContact CG-CE2 4.22Å; Y20-Y68 HydrophobicContact CG-CG 4.03Å; A22-Y68 HydrophobicContact CB-CD1 3.52Å; A22-Y68 HydrophobicContact CB-CE1 3.67Å; A22-Y68 HydrophobicContact CB-CG 4.21Å; Y23-Y68 HydrophobicContact CD1-CE2 4.49Å; Y23-Y68 HydrophobicContact CE1-CD2 4.44Å; Y23-Y68 AromaticContact CE1-CE2 3.61Å; Y23-Y68 HydrophobicContact CE1-CE2 3.61Å; Y23-Y68 AromaticContact CE1-CZ 3.89Å; E32-Y68 WeakPolarHBondContact O-CE1 3.23Å; G33-Y68 VanDerWaalsContact CA-OH 3.25Å; G33-Y68 WeakPolarHBondContact CA-OH 3.27Å; Y68-R70 HydrophobicContact CD1-CB 4.23Å; Y68-R70 HydrophobicContact CE1-CB 3.61Å; Y68-R70 HydrophobicContact CE1-CG 4.29Å; Y68-R70 PolarHBondContact O-N 2.96Å; Y68-R70 VanDerWaalsContact O-N 3.07Å; Y68-D71 HydrophobicContact CD1-CB 4.11Å; Y68-D71 PolarHBondContact O-N 3.21Å
69P89.6Confident85.9Confident100 Ų10087.6 Ų87.665%0.64941%0.41SS*.THydrogen-bonded Turntrans-60.7-23-171.5-28.436.3000116.1
70R89.2Confident86Confident152 Ų15287.4 Ų87.457%0.57441%0.41SS*.THydrogen-bonded Turntrans-104.111179.6-52.7-176.2-176.2175.2-1113.3A31 Y68 P72A31-R70 PolarHBondContact O-NH1 2.95Å; Y68-R70 HydrophobicContact CD1-CB 4.23Å; Y68-R70 HydrophobicContact CE1-CB 3.61Å; Y68-R70 HydrophobicContact CE1-CG 4.29Å; Y68-R70 PolarHBondContact O-N 2.96Å; Y68-R70 VanDerWaalsContact O-N 3.07Å; R70-P72 VanDerWaalsContact O-CD 3.27Å; R70-P72 WeakPolarHBondContact O-CD 3.16Å
71D80.7Confident86Confident20 Ų2086 Ų8611%0.10740%0.398CS..  trans-93108.9175.4-148.5-25.9000110.6K28 Y68 N73K28-D71 WeakPolarHBondContact CE-OD2 3.18Å; K28-D71 VanDerWaalsContact NZ-CG 3.27Å; K28-D71 IonicContact NZ-OD1 2.83Å; K28-D71 PolarHBondContact NZ-OD1 3.28Å; K28-D71 IonicContact NZ-OD2 3.24Å; K28-D71 PolarHBondContact NZ-OD2 3.48Å; Y68-D71 HydrophobicContact CD1-CB 4.11Å; Y68-D71 PolarHBondContact O-N 3.21Å; D71-N73 PolarHBondContact OD1-N 3.38Å
72P75.1Confident86Confident89 Ų8984.8 Ų84.858%0.57839%0.39SS*.SBendtrans-72.7-33179.528.8-34.2000112.1R70 R74R70-P72 VanDerWaalsContact O-CD 3.27Å; R70-P72 WeakPolarHBondContact O-CD 3.16Å; P72-R74 VanDerWaalsContact C-N 3.27Å; P72-R74 PolarHBondContact O-N 2.68Å
73N71.6Confident86Confident107 Ų10781.9 Ų81.957%0.57238%0.377SS*.SBendtrans-76.5-13.1-165.1-71.4-14.1000113.7D71 D75D71-N73 PolarHBondContact OD1-N 3.38Å; N73-D75 VanDerWaalsContact CB-OD2 3.24Å; N73-D75 WeakPolarHBondContact CB-OD2 3.26Å; N73-D75 PolarHBondContact O-N 2.85Å
74R77.1Confident85.8Confident180 Ų18078 Ų7868%0.67936%0.357SS*.  trans46.520.8176-60.4-167.8177.1-166.31.6114.8M67 P72 W76 Q79M67-R74 HydrophobicContact CE-CB 3.56Å; M67-R74 HydrophobicContact CE-CG 3.65Å; M67-R74 HydrophobicContact SD-CB 4.39Å; M67-R74 HydrophobicContact SD-CG 4.24Å; P72-R74 VanDerWaalsContact C-N 3.27Å; P72-R74 PolarHBondContact O-N 2.68Å; R74-W76 PolarHBondContact O-N 2.74Å; R74-Q79 PolarHBondContact O-NE2 3.09Å
75D79.2Confident85.7Confident78 Ų7876.8 Ų76.842%0.41735%0.352SS..  trans-60.4123.9-176.5-67.7-48.1000110.1N73 Q77 F78 Q79N73-D75 VanDerWaalsContact CB-OD2 3.24Å; N73-D75 WeakPolarHBondContact CB-OD2 3.26Å; N73-D75 PolarHBondContact O-N 2.85Å; D75-Q77 PolarHBondContact O-N 3.38Å; D75-Q77 VanDerWaalsContact O-N 3.1Å; D75-F78 HydrophobicContact CB-CD2 3.81Å; D75-F78 HydrophobicContact CB-CE2 4.42Å; D75-F78 PolarHBondContact O-N 2.96Å; D75-Q79 WeakPolarHBondContact O-CG 3.48Å; D75-Q79 PolarHBondContact O-N 3.01Å
76W76.6Confident85.6Confident204 Ų20470 Ų7077%0.77332%0.323SS*.G310 helixtrans-50.7-43.2-175.9-172.8-46.3000111.6R74 F78 Q79R74-W76 PolarHBondContact O-N 2.74Å; W76-F78 PolarHBondContact O-N 3.12Å; W76-F78 VanDerWaalsContact O-N 3.17Å; W76-Q79 WeakPolarHBondContact O-CB 3.24Å; W76-Q79 PolarHBondContact O-N 3.01Å
77Q76.4Confident85.6Confident150 Ų15070.1 Ų70.170%0.70132%0.321SS*.G310 helixtrans-60.9-28.4-174.3-59.4178.522.700113.3D75D75-Q77 PolarHBondContact O-N 3.38Å; D75-Q77 VanDerWaalsContact O-N 3.1Å
78F76.9Confident85.7Confident51 Ų5169.8 Ų69.822%0.22432%0.321CS..G310 helixtrans-105.64.4-180-50.6-57.2000112.9N44 T46 D75 W76N44-F78 HydrophobicContact CB-CE1 3.77Å; N44-F78 HydrophobicContact CB-CZ 3.88Å; T46-F78 HydrophobicContact CG2-CE1 4.43Å; D75-F78 HydrophobicContact CB-CD2 3.81Å; D75-F78 HydrophobicContact CB-CE2 4.42Å; D75-F78 PolarHBondContact O-N 2.96Å; W76-F78 PolarHBondContact O-N 3.12Å; W76-F78 VanDerWaalsContact O-N 3.17Å
79Q84.5Confident85.6Confident51 Ų5172.2 Ų72.224%0.23834%0.344CS..  trans-69.9146.2174.7-71.5179.315.400111.2C47 M67 R74 D75 W76C47-Q79 PolarHBondContact SG-O 3.36Å; C47-Q79 VanDerWaalsContact SG-O 3.38Å; M67-Q79 HydrophobicContact CE-CG 3.66Å; M67-Q79 HydrophobicContact SD-CG 4Å; R74-Q79 PolarHBondContact O-NE2 3.09Å; D75-Q79 WeakPolarHBondContact O-CG 3.48Å; D75-Q79 PolarHBondContact O-N 3.01Å; W76-Q79 WeakPolarHBondContact O-CB 3.24Å; W76-Q79 PolarHBondContact O-N 3.01Å
80G92.1Very high85.6Confident2 Ų273.3 Ų73.32%0.02135%0.345CS..  trans121.4173.8171.300000113.2Y20 C47 E64 K66Y20-G80 WeakPolarHBondContact CD1-O 3.17Å; C47-G80 VanDerWaalsContact SG-CA 3.57Å; E64-G80 CarbonylContact O-C 3.55Å; E64-G80 WeakPolarHBondContact O-CA 3.32Å; K66-G80 CarbonylContact O-C 3.55Å; K66-G80 VanDerWaalsContact O-C 3.3Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 3.37Å; K66-G80 VanDerWaalsContact O-N 3.08Å
81R94.2Very high85.5Confident55 Ų5567 Ų6721%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-137.1143.616965.4-172.5-174.6167.7-0.6109T18 I19 Y20 E64 K66T18-R81 HydrophobicContact CG2-CB 3.92Å; T18-R81 HydrophobicContact CG2-CG 4.2Å; I19-R81 CarbonylContact O-C 3.53Å; I19-R81 WeakPolarHBondContact O-CA 3.42Å; Y20-R81 HydrophobicContact CD1-CB 3.8Å; Y20-R81 HydrophobicContact CE1-CB 3.64Å; Y20-R81 HydrophobicContact CE1-CG 4.45Å; Y20-R81 HydrophobicContact CE2-CB 4.49Å; Y20-R81 HydrophobicContact CG-CB 4.32Å; E64-R81 HydrophobicContact CB-CG 4Å; E64-R81 PolarHBondContact N-O 3.07Å; E64-R81 PolarHBondContact O-N 3.08Å; E64-R81 IonicContact OE1-NH2 3.95Å; E64-R81 IonicContact OE2-CZ 2.62Å; E64-R81 IonicContact OE2-NE 2.89Å; E64-R81 PolarHBondContact OE2-NE 3.4Å; E64-R81 IonicContact OE2-NH2 2.63Å; E64-R81 PolarHBondContact OE2-NH2 3.16Å; K66-R81 HydrophobicContact CB-CG 3.97Å
82V94.7Very high85.9Confident0 Ų068.3 Ų68.30%034%0.338CS..EExtended strand (participates in β ladder)trans-96.4120.1174-173.20000107.6I19 C47 I50 A51 L54 V61I19-V82 HydrophobicContact CB-CB 4.4Å; I19-V82 PolarHBondContact N-O 3.46Å; I19-V82 PolarHBondContact O-N 3.07Å; C47-V82 HydrophobicContact CB-CG2 3.92Å; C47-V82 WeakPolarHBondContact O-CG2 3.27Å; I50-V82 HydrophobicContact CB-CG2 4.06Å; I50-V82 HydrophobicContact CG2-CB 4.12Å; I50-V82 HydrophobicContact CG2-CG1 4.18Å; I50-V82 HydrophobicContact CG2-CG2 3.88Å; A51-V82 HydrophobicContact CB-CG1 4.27Å; L54-V82 HydrophobicContact CD1-CG1 3.66Å; V61-V82 HydrophobicContact CG1-CG1 3.32Å
83R95.1Very high86.5Confident22 Ų2265.8 Ų65.88%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-97.9138172.9-55.8-63.6-61-77.14.6108.4E13 W16 I17 T18 V61 K62 E64E13-R83 PolarHBondContact O-NH2 3.41Å; W16-R83 HydrophobicContact CB-CB 4.3Å; W16-R83 HydrophobicContact CE3-CB 3.77Å; W16-R83 PolarHBondContact O-NE 3.38Å; W16-R83 PolarHBondContact O-NH2 3.43Å; I17-R83 CarbonylContact O-C 3.47Å; I17-R83 VanDerWaalsContact O-CA 3.24Å; I17-R83 WeakPolarHBondContact O-CA 3.28Å; T18-R83 VanDerWaalsContact OG1-CD 3.31Å; T18-R83 WeakPolarHBondContact OG1-CD 3.17Å; T18-R83 PolarHBondContact OG1-NE 2.88Å; T18-R83 VanDerWaalsContact OG1-NE 3.07Å; V61-R83 CarbonylContact C-O 3.58Å; V61-R83 VanDerWaalsContact CA-O 3.28Å; V61-R83 WeakPolarHBondContact CA-O 3.16Å; K62-R83 HydrophobicContact CB-CB 4.38Å; K62-R83 PolarHBondContact N-O 3.35Å; K62-R83 PolarHBondContact O-N 2.83Å; E64-R83 HydrophobicContact CG-CG 4.18Å; E64-R83 WeakPolarHBondContact OE1-CG 3.49Å; E64-R83 IonicContact OE1-NH1 3.11Å; E64-R83 PolarHBondContact OE1-NH1 3.08Å; E64-R83 VanDerWaalsContact OE1-NH1 3.11Å; E64-R83 IonicContact OE2-NH1 3.97Å
84L92.4Very high87.2Confident0 Ų062.3 Ų62.30%030%0.302CS..EExtended strand (participates in β ladder)trans-136.2142.5177.266.895.5000112.3W16 I17 I19 L54 L59 N60 V61 L86 F106W16-L84 CarbonylContact C-O 3.53Å; W16-L84 VanDerWaalsContact CA-O 3.31Å; W16-L84 WeakPolarHBondContact CA-O 3.05Å; W16-L84 WeakPolarHBondContact CB-O 3.45Å; I17-L84 HydrophobicContact CB-CD1 3.98Å; I17-L84 HydrophobicContact CB-CG 3.98Å; I17-L84 HydrophobicContact CD1-CD1 4.37Å; I17-L84 HydrophobicContact CG1-CD1 4.49Å; I17-L84 HydrophobicContact CG2-CD2 4.49Å; I17-L84 HydrophobicContact CG2-CG 4.49Å; I17-L84 PolarHBondContact N-O 3.06Å; I17-L84 PolarHBondContact O-N 3.07Å; I19-L84 HydrophobicContact CD1-CD2 3.49Å; I19-L84 VanDerWaalsContact CD1-CD2 3.49Å; I19-L84 HydrophobicContact CG1-CD2 3.94Å; L54-L84 HydrophobicContact CD1-CB 4.49Å; L54-L84 HydrophobicContact CD1-CD2 3.91Å; L54-L84 HydrophobicContact CD2-CD2 3.92Å; L59-L84 HydrophobicContact CD1-CD1 4.33Å; N60-L84 VanDerWaalsContact O-CA 3.29Å; N60-L84 WeakPolarHBondContact O-CA 3.38Å; V61-L84 HydrophobicContact CG2-CB 4.39Å; L84-L86 HydrophobicContact CD1-CB 4.34Å; L84-L86 PolarHBondContact O-N 3.47Å; L84-F106 HydrophobicContact CD1-CE1 4.38Å; L84-F106 HydrophobicContact CD1-CE2 4.31Å; L84-F106 HydrophobicContact CD1-CZ 3.69Å; L84-F106 HydrophobicContact CD2-CE1 3.79Å; L84-F106 HydrophobicContact CD2-CZ 3.65Å; L84-F106 HydrophobicContact CG-CZ 4.35Å
85Q92.5Very high87.6Confident17 Ų1754.9 Ų54.98%0.07928%0.276CS..  trans-78.4117.1171.6-169.1-177.7-700109.5C11 W16 N60 R87 V94C11-Q85 VanDerWaalsContact CB-NE2 3.29Å; W16-Q85 HydrophobicContact CD2-CB 4.05Å; W16-Q85 HydrophobicContact CG-CB 4.38Å; W16-Q85 HydrophobicContact CZ2-CB 3.82Å; W16-Q85 HydrophobicContact CZ2-CG 4.43Å; N60-Q85 HydrophobicContact CB-CB 3.89Å; N60-Q85 PolarHBondContact ND2-OE1 2.91Å; N60-Q85 PolarHBondContact O-N 3.24Å; Q85-R87 WeakPolarHBondContact CG-O 3.23Å; Q85-R87 PolarHBondContact NE2-O 3.2Å; Q85-V94 HydrophobicContact CB-CG2 4.38Å; Q85-V94 HydrophobicContact CG-CG2 3.88Å
86L89.4Confident87.7Confident25 Ų2556.8 Ų56.813%0.13129%0.292CS..  trans-92.8-31.4171.8-174.863.7000112.1I17 L84 I93 V94 L98 F106I17-L86 HydrophobicContact CD1-CB 3.92Å; I17-L86 HydrophobicContact CD1-CD2 3.54Å; I17-L86 HydrophobicContact CD1-CG 4.25Å; I17-L86 HydrophobicContact CG1-CB 4.41Å; L84-L86 HydrophobicContact CD1-CB 4.34Å; L84-L86 PolarHBondContact O-N 3.47Å; L86-I93 HydrophobicContact CD1-CG2 4.13Å; L86-I93 WeakPolarHBondContact O-CA 3.34Å; L86-V94 PolarHBondContact O-N 3.14Å; L86-L98 HydrophobicContact CD1-CD1 4.42Å; L86-F106 HydrophobicContact CD1-CD2 4.4Å; L86-F106 HydrophobicContact CD1-CE2 4.03Å
87R90.4Very high87.8Confident92 Ų9250.3 Ų50.335%0.34728%0.278SS..BIsolated β-bridgetrans-121.7143.8-172.7-64.8-177.5-176.4-86.4-6.5112.5P10 C11 Q85 G91 S92 N100P10-R87 HydrophobicContact CB-CB 3.95Å; C11-R87 VanDerWaalsContact CA-O 3.28Å; C11-R87 WeakPolarHBondContact CA-O 3.47Å; Q85-R87 WeakPolarHBondContact CG-O 3.23Å; Q85-R87 PolarHBondContact NE2-O 3.2Å; R87-G91 PolarHBondContact NH1-O 2.91Å; R87-S92 CarbonylContact C-O 3.56Å; R87-S92 WeakPolarHBondContact CA-O 3.27Å; R87-N100 PolarHBondContact NH2-OD1 3.29Å
88N90.7Very high87.7Confident53 Ų5343.3 Ų43.328%0.28325%0.245SC..  trans-78.3173.5169.1-69.1-38000111P10 D90 G91 S92 V94P10-N88 WeakPolarHBondContact CB-O 3.46Å; N88-D90 WeakPolarHBondContact CB-OD1 3.45Å; N88-D90 PolarHBondContact O-N 3.43Å; N88-G91 PolarHBondContact O-N 3.45Å; N88-S92 WeakPolarHBondContact CB-OG 3.25Å; N88-S92 PolarHBondContact N-O 3.19Å; N88-S92 PolarHBondContact ND2-OG 3.14Å; N88-V94 WeakPolarHBondContact OD1-CG2 3.43Å
89A90.3Very high87.2Confident69 Ų6942.9 Ų42.957%0.5725%0.248SC*.THydrogen-bonded Turntrans-61.6-33-177.900000112.9P10 C11 G91P10-A89 WeakPolarHBondContact CD-O 3.18Å; C11-A89 HydrophobicContact CB-CB 4.44Å; A89-G91 PolarHBondContact O-N 3.33Å
90D89.5Confident86.2Confident122 Ų12245.4 Ų45.465%0.65226%0.263SS*.THydrogen-bonded Turntrans-75.7-4.8174.867.4-19.4000113.4N88 S92N88-D90 WeakPolarHBondContact CB-OD1 3.45Å; N88-D90 PolarHBondContact O-N 3.43Å; D90-S92 VanDerWaalsContact C-N 3.34Å; D90-S92 VanDerWaalsContact CG-OG 3.24Å; D90-S92 WeakPolarHBondContact OD1-CB 3.39Å; D90-S92 PolarHBondContact OD1-N 3.04Å; D90-S92 PolarHBondContact OD1-OG 3.1Å; D90-S92 WeakPolarHBondContact OD2-CB 3.45Å; D90-S92 PolarHBondContact OD2-OG 2.98Å
91G85.8Confident84.2Confident21 Ų2148.4 Ų48.422%0.21628%0.284CS..SBendtrans86.4-3.5-17800000115.1R87 N88 A89R87-G91 PolarHBondContact NH1-O 2.91Å; N88-G91 PolarHBondContact O-N 3.45Å; A89-G91 PolarHBondContact O-N 3.33Å
92S89Confident82.6Confident47 Ų4754 Ų5433%0.32931%0.31SS..  trans-64.8158.5172.868.50000111.1R87 N88 D90R87-S92 CarbonylContact C-O 3.56Å; R87-S92 WeakPolarHBondContact CA-O 3.27Å; N88-S92 WeakPolarHBondContact CB-OG 3.25Å; N88-S92 PolarHBondContact N-O 3.19Å; N88-S92 PolarHBondContact ND2-OG 3.14Å; D90-S92 VanDerWaalsContact C-N 3.34Å; D90-S92 VanDerWaalsContact CG-OG 3.24Å; D90-S92 WeakPolarHBondContact OD1-CB 3.39Å; D90-S92 PolarHBondContact OD1-N 3.04Å; D90-S92 PolarHBondContact OD1-OG 3.1Å; D90-S92 WeakPolarHBondContact OD2-CB 3.45Å; D90-S92 PolarHBondContact OD2-OG 2.98Å
93I87.4Confident81.1Confident35 Ų3562.1 Ų62.118%0.17934%0.34CS..BIsolated β-bridgetrans-82.2134.7178.4-58.1174.9000108.8L86 N95 N100L86-I93 HydrophobicContact CD1-CG2 4.13Å; L86-I93 WeakPolarHBondContact O-CA 3.34Å; I93-N95 VanDerWaalsContact CG2-O 3.28Å; I93-N95 WeakPolarHBondContact CG2-O 3.42Å; I93-N95 PolarHBondContact O-N 3.23Å; I93-N100 HydrophobicContact CD1-CB 3.6Å
94V87.9Confident79.3Confident34 Ų3465 Ų6521%0.20636%0.363CS..SBendtrans-56.9-48.9-179.1176.50000111.3L59 Q85 L86 N88L59-V94 HydrophobicContact CD2-CB 3.94Å; L59-V94 HydrophobicContact CD2-CG1 3.94Å; Q85-V94 HydrophobicContact CB-CG2 4.38Å; Q85-V94 HydrophobicContact CG-CG2 3.88Å; L86-V94 PolarHBondContact O-N 3.14Å; N88-V94 WeakPolarHBondContact OD1-CG2 3.43Å
95N84.3Confident77.7Confident24 Ų2471.1 Ų71.113%0.12839%0.39CS..SBendtrans-119.2111.5175.6-172.9-24.9000110.2I57 L59 I93 S97 L98I57-N95 VanDerWaalsContact CG2-ND2 3.31Å; I57-N95 WeakPolarHBondContact CG2-ND2 3.3Å; I57-N95 PolarHBondContact O-ND2 2.79Å; L59-N95 HydrophobicContact CD2-CB 4.23Å; I93-N95 VanDerWaalsContact CG2-O 3.28Å; I93-N95 WeakPolarHBondContact CG2-O 3.42Å; I93-N95 PolarHBondContact O-N 3.23Å; N95-S97 PolarHBondContact ND2-OG 3.1Å; N95-S97 PolarHBondContact O-N 3.24Å; N95-S97 VanDerWaalsContact O-N 3.12Å; N95-S97 VanDerWaalsContact OD1-CB 3.28Å; N95-S97 WeakPolarHBondContact OD1-CB 3.37Å; N95-S97 PolarHBondContact OD1-N 3.26Å; N95-S97 PolarHBondContact OD1-OG 3.06Å; N95-L98 HydrophobicContact CB-CD1 4.01Å; N95-L98 HydrophobicContact CB-CG 4.24Å; N95-L98 WeakPolarHBondContact O-CB 3.47Å; N95-L98 PolarHBondContact O-N 3.48Å
96P80.8Confident76.5Confident118 Ų11870.5 Ų70.577%0.76639%0.387SS*.THydrogen-bonded Turntrans-60.9-18.7179.5-24.534000115.1L98P96-L98 PolarHBondContact O-N 2.78Å
97S80Confident75.5Confident68 Ų6869.7 Ų69.748%0.47638%0.383SS..THydrogen-bonded Turntrans-68.1-17.2173.570.30000112.7N95N95-S97 PolarHBondContact ND2-OG 3.1Å; N95-S97 PolarHBondContact O-N 3.24Å; N95-S97 VanDerWaalsContact O-N 3.12Å; N95-S97 VanDerWaalsContact OD1-CB 3.28Å; N95-S97 WeakPolarHBondContact OD1-CB 3.37Å; N95-S97 PolarHBondContact OD1-N 3.26Å; N95-S97 PolarHBondContact OD1-OG 3.06Å
98L74.2Confident74.3Confident3 Ų369.3 Ų69.32%0.01638%0.384CS..SBendtrans-88.1129.5175.4-60.8171000110L59 L86 N95 P96 F106 F113L59-L98 HydrophobicContact CD1-CD1 3.59Å; L59-L98 HydrophobicContact CD2-CD1 3.65Å; L59-L98 HydrophobicContact CG-CD1 3.94Å; L86-L98 HydrophobicContact CD1-CD1 4.42Å; N95-L98 HydrophobicContact CB-CD1 4.01Å; N95-L98 HydrophobicContact CB-CG 4.24Å; N95-L98 WeakPolarHBondContact O-CB 3.47Å; N95-L98 PolarHBondContact O-N 3.48Å; P96-L98 PolarHBondContact O-N 2.78Å; L98-F106 HydrophobicContact CD1-CE2 4.45Å; L98-F113 HydrophobicContact CD2-CE2 3.97Å
99P66.1Low73.2Confident42 Ų4268 Ų6827%0.27338%0.379SS..  trans-66.4142-179.926.1-32.8000111.1S101 S109P99-S101 PolarHBondContact O-N 3.05Å; P99-S101 VanDerWaalsContact O-N 3.07Å; P99-S109 WeakPolarHBondContact CD-OG 3.24Å; P99-S109 WeakPolarHBondContact CG-OG 3.16Å
100N62.3Low72.3Confident104 Ų10464.8 Ų64.856%0.55635%0.352SS*.  trans-65.6-5.3171.3-160.99.7000113.1R87 I93R87-N100 PolarHBondContact NH2-OD1 3.29Å; I93-N100 HydrophobicContact CD1-CB 3.6Å
101S51.8Low71.3Confident66 Ų6659.1 Ų59.146%0.46232%0.322SS..  trans-75.7149.1-166.1-69.90000113P99P99-S101 PolarHBondContact O-N 3.05Å; P99-S101 VanDerWaalsContact O-N 3.07Å
102K60.7Low70.7Confident172 Ų17267.8 Ų67.875%0.74835%0.348SS*.  trans-23.4141.5178.5-59.5-178.9-179.2177.90113.8S104 F105 F106K102-S104 CarbonylContact O-C 3.47Å; K102-S104 PolarHBondContact O-N 2.83Å; K102-F105 PolarHBondContact O-N 3.39Å; K102-F106 PolarHBondContact O-N 3.17Å
103R62.3Low69.8Low171 Ų17169.2 Ų69.265%0.64535%0.348SS*.Hα-helixtrans-39.9-35-179.9-70.5-178.9-179.1153.9-1115.3F106 F107R103-F106 WeakPolarHBondContact O-CB 3.41Å; R103-F106 PolarHBondContact O-N 3.24Å; R103-F107 WeakPolarHBondContact O-CD2 3.41Å; R103-F107 WeakPolarHBondContact O-CE2 3.41Å
104S56.9Low68.7Low81 Ų8169.3 Ų69.357%0.56635%0.348SS*.Hα-helixtrans-60.4-49.9174.6-52.30000112.6K102 F106 F107 F108K102-S104 CarbonylContact O-C 3.47Å; K102-S104 PolarHBondContact O-N 2.83Å; S104-F106 VanDerWaalsContact C-N 3.27Å; S104-F106 PolarHBondContact O-N 3.44Å; S104-F107 PolarHBondContact O-N 2.92Å; S104-F108 VanDerWaalsContact O-CD2 3.25Å; S104-F108 WeakPolarHBondContact O-CD2 3.37Å
105F58.8Low67.3Low130 Ų13075.2 Ų75.257%0.5738%0.384SS*.Hα-helixtrans-64.9-31178.9-81.2-86.9000112.8K102 F107 F108 S109K102-F105 PolarHBondContact O-N 3.39Å; F105-F107 VanDerWaalsContact C-N 3.31Å; F105-F107 PolarHBondContact O-N 2.75Å; F105-F108 PolarHBondContact O-N 3.49Å; F105-F108 VanDerWaalsContact O-N 3.16Å; F105-S109 PolarHBondContact O-N 3.31Å
106F67.9Low66.5Low3 Ų377.8 Ų77.81%0.01340%0.396CS..Hα-helixtrans-56-44.5177.4179.9-97.2000111.9I17 I19 L84 L86 L98 K102 R103 S104 F108 S109 L110I17-F106 HydrophobicContact CG2-CD1 4.49Å; I17-F106 HydrophobicContact CG2-CE1 4.34Å; I19-F106 HydrophobicContact CD1-CE1 4.09Å; L84-F106 HydrophobicContact CD1-CE1 4.38Å; L84-F106 HydrophobicContact CD1-CE2 4.31Å; L84-F106 HydrophobicContact CD1-CZ 3.69Å; L84-F106 HydrophobicContact CD2-CE1 3.79Å; L84-F106 HydrophobicContact CD2-CZ 3.65Å; L84-F106 HydrophobicContact CG-CZ 4.35Å; L86-F106 HydrophobicContact CD1-CD2 4.4Å; L86-F106 HydrophobicContact CD1-CE2 4.03Å; L98-F106 HydrophobicContact CD1-CE2 4.45Å; K102-F106 PolarHBondContact O-N 3.17Å; R103-F106 WeakPolarHBondContact O-CB 3.41Å; R103-F106 PolarHBondContact O-N 3.24Å; S104-F106 VanDerWaalsContact C-N 3.27Å; S104-F106 PolarHBondContact O-N 3.44Å; F106-F108 PolarHBondContact O-N 3.27Å; F106-S109 PolarHBondContact O-N 2.9Å; F106-L110 HydrophobicContact CE1-CD2 4.22Å; F106-L110 HydrophobicContact CZ-CD1 4.27Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.16Å; F106-L110 PolarHBondContact O-N 3.15Å
107F68.6Low65.7Low9 Ų975.7 Ų75.74%0.03938%0.377CS..Hα-helixtrans-64.2-39.6177.8-64.2-69.9000112.7I19 Y23 V36 R103 S104 F105 S109 L110 L111I19-F107 HydrophobicContact CG1-CE1 4.07Å; I19-F107 HydrophobicContact CG2-CE1 4.34Å; Y23-F107 AromaticContact CD2-CE1 3.59Å; Y23-F107 HydrophobicContact CD2-CE1 3.59Å; Y23-F107 AromaticContact CD2-CZ 3.61Å; Y23-F107 HydrophobicContact CD2-CZ 3.61Å; Y23-F107 HydrophobicContact CE2-CE1 4.32Å; Y23-F107 AromaticContact CE2-CZ 3.94Å; Y23-F107 HydrophobicContact CE2-CZ 3.94Å; Y23-F107 HydrophobicContact CG-CE1 4.43Å; V36-F107 HydrophobicContact CG1-CB 3.83Å; R103-F107 WeakPolarHBondContact O-CD2 3.41Å; R103-F107 WeakPolarHBondContact O-CE2 3.41Å; S104-F107 PolarHBondContact O-N 2.92Å; F105-F107 VanDerWaalsContact C-N 3.31Å; F105-F107 PolarHBondContact O-N 2.75Å; F107-S109 VanDerWaalsContact C-N 3.34Å; F107-L110 PolarHBondContact O-N 2.77Å; F107-L111 WeakPolarHBondContact O-CG 3.42Å; F107-L111 PolarHBondContact O-N 3.22Å
108F64.7Low64.9Low83 Ų8376.1 Ų76.136%0.36437%0.371SS..Hα-helixtrans-65.2-38.7176.1-74.1-89.3000112.6P37 S104 F105 F106P37-F108 HydrophobicContact CG-CD1 4.42Å; P37-F108 HydrophobicContact CG-CE1 3.43Å; P37-F108 VanDerWaalsContact CG-CE1 3.43Å; P37-F108 HydrophobicContact CG-CZ 3.98Å; S104-F108 VanDerWaalsContact O-CD2 3.25Å; S104-F108 WeakPolarHBondContact O-CD2 3.37Å; F105-F108 PolarHBondContact O-N 3.49Å; F105-F108 VanDerWaalsContact O-N 3.16Å; F106-F108 PolarHBondContact O-N 3.27Å
109S68.3Low64.4Low27 Ų2780.4 Ų80.419%0.18939%0.392CS..Hα-helixtrans-72.2-39.4177.5-169.70000111.7P99 F105 F106 F107 L111 R112P99-S109 WeakPolarHBondContact CD-OG 3.24Å; P99-S109 WeakPolarHBondContact CG-OG 3.16Å; F105-S109 PolarHBondContact O-N 3.31Å; F106-S109 PolarHBondContact O-N 2.9Å; F107-S109 VanDerWaalsContact C-N 3.34Å; S109-L111 VanDerWaalsContact C-N 3.26Å; S109-L111 PolarHBondContact O-N 2.88Å; S109-R112 VanDerWaalsContact O-CB 3.23Å; S109-R112 WeakPolarHBondContact O-CB 3.39Å; S109-R112 PolarHBondContact O-N 3.44Å; S109-R112 VanDerWaalsContact O-N 3.15Å
110L70Confident64.3Low0 Ų082.8 Ų82.80%040%0.4CS..Hα-helixtrans-62.4-38.5-179.7-171.171.9000111.1I19 L54 I57 F106 F107 R112 F113 F114I19-L110 HydrophobicContact CD1-CD2 3.48Å; I19-L110 VanDerWaalsContact CD1-CD2 3.48Å; L54-L110 HydrophobicContact CD2-CD1 3.3Å; L54-L110 HydrophobicContact CD2-CD2 4.12Å; L54-L110 HydrophobicContact CD2-CG 4.31Å; L54-L110 HydrophobicContact CG-CD1 4.37Å; I57-L110 HydrophobicContact CD1-CD1 4.39Å; F106-L110 HydrophobicContact CE1-CD2 4.22Å; F106-L110 HydrophobicContact CZ-CD1 4.27Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.16Å; F106-L110 PolarHBondContact O-N 3.15Å; F107-L110 PolarHBondContact O-N 2.77Å; L110-R112 PolarHBondContact O-N 3.42Å; L110-F113 WeakPolarHBondContact O-CB 3.46Å; L110-F113 PolarHBondContact O-N 2.79Å; L110-F114 HydrophobicContact CD2-CE2 4.02Å; L110-F114 HydrophobicContact CG-CD2 4.44Å; L110-F114 HydrophobicContact CG-CE2 3.88Å; L110-F114 WeakPolarHBondContact O-CD2 3.23Å
111L68.4Low64.4Low3 Ų381.4 Ų81.42%0.01639%0.389CS..G310 helixtrans-64.4-17.2177.5-76.8170.4000114.9L24 V36 K40 V42 F107 S109 F113 F114L24-L111 HydrophobicContact CD2-CD1 4.37Å; L24-L111 HydrophobicContact CD2-CD2 3.92Å; L24-L111 HydrophobicContact CD2-CG 4.12Å; V36-L111 HydrophobicContact CB-CD1 3.44Å; V36-L111 VanDerWaalsContact CB-CD1 3.44Å; V36-L111 HydrophobicContact CG1-CD1 3.38Å; V36-L111 HydrophobicContact CG1-CG 4.4Å; V36-L111 HydrophobicContact CG2-CD1 3.84Å; K40-L111 HydrophobicContact CB-CD1 3.73Å; K40-L111 VanDerWaalsContact O-CD1 3.22Å; K40-L111 WeakPolarHBondContact O-CD1 3.3Å; K40-L111 WeakPolarHBondContact O-CD2 2.77Å; V42-L111 HydrophobicContact CG2-CD2 4.47Å; F107-L111 WeakPolarHBondContact O-CG 3.42Å; F107-L111 PolarHBondContact O-N 3.22Å; S109-L111 VanDerWaalsContact C-N 3.26Å; S109-L111 PolarHBondContact O-N 2.88Å; L111-F113 PolarHBondContact O-N 3.38Å; L111-F114 HydrophobicContact CD2-CB 4.13Å; L111-F114 HydrophobicContact CD2-CD2 4.33Å; L111-F114 HydrophobicContact CD2-CG 4.3Å; L111-F114 PolarHBondContact O-N 2.86Å; L111-F114 VanDerWaalsContact O-N 3.14Å
112R73.7Confident65.3Low203 Ų20382.5 Ų82.577%0.76638%0.384SS*.G310 helixtrans-60.3-21.7169.8-176.2179.4170116.72.7112.1S109 L110S109-R112 VanDerWaalsContact O-CB 3.23Å; S109-R112 WeakPolarHBondContact O-CB 3.39Å; S109-R112 PolarHBondContact O-N 3.44Å; S109-R112 VanDerWaalsContact O-N 3.15Å; L110-R112 PolarHBondContact O-N 3.42Å
113F70.4Confident65.7Low77 Ų7775.6 Ų75.634%0.33836%0.356SS..G310 helixtrans-99.3-2.3179.8-58.5-82.5000113.4I53 I57 L98 L110 L111I53-F113 HydrophobicContact CG2-CB 4.16Å; I57-F113 HydrophobicContact CD1-CB 3.48Å; I57-F113 VanDerWaalsContact CD1-CB 3.48Å; I57-F113 HydrophobicContact CD1-CD1 3.82Å; I57-F113 HydrophobicContact CD1-CD2 3.55Å; I57-F113 HydrophobicContact CD1-CE1 4.4Å; I57-F113 HydrophobicContact CD1-CE2 4.17Å; I57-F113 HydrophobicContact CD1-CG 3.34Å; I57-F113 HydrophobicContact CG1-CB 4.22Å; I57-F113 HydrophobicContact CG1-CD1 3.77Å; I57-F113 HydrophobicContact CG1-CD2 4.32Å; I57-F113 HydrophobicContact CG1-CE1 4.13Å; I57-F113 HydrophobicContact CG1-CG 3.86Å; I57-F113 HydrophobicContact CG2-CE1 4.28Å; I57-F113 HydrophobicContact CG2-CE2 4.36Å; I57-F113 HydrophobicContact CG2-CZ 4.09Å; L98-F113 HydrophobicContact CD2-CE2 3.97Å; L110-F113 WeakPolarHBondContact O-CB 3.46Å; L110-F113 PolarHBondContact O-N 2.79Å; L111-F113 PolarHBondContact O-N 3.38Å
114F65.1Low65.9Low37 Ų3767.7 Ų67.716%0.16233%0.332CS..THydrogen-bonded Turntrans-99.5-13.6177.2-79.9-97.8000113L24 V42 I50 I53 L110 L111L24-F114 HydrophobicContact CD1-CE1 4.3Å; L24-F114 HydrophobicContact CD1-CE2 4.3Å; L24-F114 HydrophobicContact CD1-CZ 4.02Å; V42-F114 HydrophobicContact CG2-CB 4.2Å; V42-F114 HydrophobicContact CG2-CD1 4.22Å; I50-F114 HydrophobicContact CB-CZ 4.26Å; I50-F114 HydrophobicContact CG1-CE1 4.06Å; I50-F114 HydrophobicContact CG1-CZ 4.03Å; I50-F114 HydrophobicContact CG2-CZ 4.2Å; I53-F114 HydrophobicContact CB-CE1 4.4Å; I53-F114 HydrophobicContact CB-CE2 4.4Å; I53-F114 HydrophobicContact CB-CZ 4.11Å; I53-F114 HydrophobicContact CD1-CD1 3.35Å; I53-F114 HydrophobicContact CD1-CE1 3.24Å; I53-F114 HydrophobicContact CD1-CE2 4.43Å; I53-F114 HydrophobicContact CD1-CG 4.03Å; I53-F114 HydrophobicContact CD1-CZ 3.83Å; I53-F114 HydrophobicContact CG1-CE1 4.39Å; I53-F114 HydrophobicContact CG2-CD2 4.09Å; I53-F114 HydrophobicContact CG2-CE1 4.49Å; I53-F114 HydrophobicContact CG2-CE2 3.8Å; I53-F114 HydrophobicContact CG2-CZ 4.01Å; L110-F114 HydrophobicContact CD2-CE2 4.02Å; L110-F114 HydrophobicContact CG-CD2 4.44Å; L110-F114 HydrophobicContact CG-CE2 3.88Å; L110-F114 WeakPolarHBondContact O-CD2 3.23Å; L111-F114 HydrophobicContact CD2-CB 4.13Å; L111-F114 HydrophobicContact CD2-CD2 4.33Å; L111-F114 HydrophobicContact CD2-CG 4.3Å; L111-F114 PolarHBondContact O-N 2.86Å; L111-F114 VanDerWaalsContact O-N 3.14Å
115V58.5Low66.8Low159 Ų15966.5 Ų66.596%0.96431%0.311SS*.  trans-124.30178.9-173.50000108.1

Retrieved 115 of 115 residues in 284.2 ms (Link to these results)

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