A0A077ZIF1_TRITR Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A077ZIF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 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
1M74.6Confident84.5Confident53 Ų5358.4 Ų58.426%0.26128%0.278SS..  0137.10-166.3173.5-70.200108.5D5 I6 M9 W100 V101M1-D5 HydrophobicContact CG-CB 3.68Å; M1-D5 HydrophobicContact SD-CB 4.03Å; M1-I6 HydrophobicContact CB-CD1 4.06Å; M1-I6 HydrophobicContact CB-CG1 3.94Å; M1-I6 HydrophobicContact CG-CD1 4.1Å; M1-I6 HydrophobicContact CG-CG1 3.89Å; M1-I6 HydrophobicContact SD-CD1 3.4Å; M1-I6 WeakPolarHBondContact SD-CD1 3.4Å; M1-I6 HydrophobicContact SD-CG1 3.74Å; M1-M9 HydrophobicContact CE-CE 4.48Å; M1-M9 HydrophobicContact CE-SD 3.96Å; M1-M9 HydrophobicContact SD-SD 3.5Å; M1-W100 HydrophobicContact CE-CH2 3.72Å; M1-W100 HydrophobicContact CE-CZ3 4.3Å; M1-W100 HydrophobicContact SD-CH2 4.41Å; M1-V101 HydrophobicContact CE-CG1 4.44Å; M1-V101 HydrophobicContact CE-CG2 3.54Å
2P77.7Confident85.2Confident25 Ų2562.8 Ų62.816%0.16230%0.298CS..  trans-59163.4175.1-21.533.3000112.5D5 I6 F164P2-D5 HydrophobicContact CB-CB 4.49Å; P2-D5 VanDerWaalsContact CB-OD2 3.32Å; P2-D5 WeakPolarHBondContact CB-OD2 3.33Å; P2-D5 VanDerWaalsContact CG-OD2 3.23Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; P2-I6 WeakPolarHBondContact O-CG1 3.41Å; P2-I6 PolarHBondContact O-N 3.16Å; P2-F164 HydrophobicContact CG-CB 4.2Å; P2-F164 HydrophobicContact CG-CD1 3.49Å; P2-F164 VanDerWaalsContact CG-CD1 3.49Å; P2-F164 HydrophobicContact CG-CD2 3.44Å; P2-F164 VanDerWaalsContact CG-CD2 3.44Å; P2-F164 HydrophobicContact CG-CE1 3.56Å; P2-F164 HydrophobicContact CG-CE2 3.54Å; P2-F164 HydrophobicContact CG-CG 3.44Å; P2-F164 VanDerWaalsContact CG-CG 3.44Å; P2-F164 HydrophobicContact CG-CZ 3.6Å
3R83.2Confident86Confident128 Ų12864.2 Ų64.248%0.48331%0.309SS..Hα-helixtrans-66.2-47.3-177.2179.7179.8172.4174.1-1.8110.7D5 I6 E7 H44R3-D5 VanDerWaalsContact C-N 3.29Å; R3-D5 PolarHBondContact O-N 2.97Å; R3-I6 PolarHBondContact O-N 3.04Å; R3-I6 VanDerWaalsContact O-N 3.15Å; R3-E7 HydrophobicContact CG-CG 4.36Å; R3-E7 IonicContact CZ-OE1 3.42Å; R3-E7 IonicContact NE-OE1 2.76Å; R3-E7 PolarHBondContact NE-OE1 3.38Å; R3-E7 IonicContact NH2-OE1 3.22Å; R3-E7 PolarHBondContact NH2-OE1 3.3Å; R3-E7 WeakPolarHBondContact O-CG 3.45Å; R3-E7 PolarHBondContact O-N 3.27Å; R3-H44 VanDerWaalsContact CZ-CD2 3.41Å; R3-H44 PolarHBondContact NE-CD2 3.01Å; R3-H44 PolarHBondContact NE-NE2 3.36Å; R3-H44 PolarHBondContact NH2-CD2 3.17Å; R3-H44 VanDerWaalsContact NH2-CD2 3.29Å
4E81.5Confident86.7Confident89 Ų8959.6 Ų59.642%0.41629%0.287SS..Hα-helixtrans-61.6-39.8-177.3-56.181.8-178.300111.2I6 E7 M8E4-I6 VanDerWaalsContact C-N 3.34Å; E4-I6 PolarHBondContact O-N 3.04Å; E4-E7 PolarHBondContact O-N 2.79Å; E4-M8 VanDerWaalsContact O-CG 3.32Å; E4-M8 WeakPolarHBondContact O-CG 3.38Å; E4-M8 PolarHBondContact O-N 3.4Å; E4-M8 VanDerWaalsContact O-N 3.09Å
5D82Confident87.3Confident8 Ų856.9 Ų56.94%0.04327%0.273CS..Hα-helixtrans-65.1-37.6178.1-70.4-80000112.4M1 P2 R3 M9 R168M1-D5 HydrophobicContact CG-CB 3.68Å; M1-D5 HydrophobicContact SD-CB 4.03Å; P2-D5 HydrophobicContact CB-CB 4.49Å; P2-D5 VanDerWaalsContact CB-OD2 3.32Å; P2-D5 WeakPolarHBondContact CB-OD2 3.33Å; P2-D5 VanDerWaalsContact CG-OD2 3.23Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; R3-D5 VanDerWaalsContact C-N 3.29Å; R3-D5 PolarHBondContact O-N 2.97Å; D5-M9 VanDerWaalsContact O-CG 3.23Å; D5-M9 WeakPolarHBondContact O-CG 3.31Å; D5-M9 PolarHBondContact O-N 3.3Å; D5-R168 VanDerWaalsContact CG-NE 3.28Å; D5-R168 VanDerWaalsContact OD1-CD 3.25Å; D5-R168 WeakPolarHBondContact OD1-CD 3.36Å; D5-R168 WeakPolarHBondContact OD1-CG 3.35Å; D5-R168 IonicContact OD1-CZ 3.12Å; D5-R168 IonicContact OD1-NE 3.77Å; D5-R168 PolarHBondContact OD1-NE 3.4Å; D5-R168 IonicContact OD1-NH2 2.7Å; D5-R168 IonicContact OD2-CZ 3.14Å; D5-R168 IonicContact OD2-NE 3.34Å; D5-R168 PolarHBondContact OD2-NE 3.3Å; D5-R168 IonicContact OD2-NH2 3.81Å; D5-R168 PolarHBondContact OD2-NH2 2.81Å
6I87Confident87.9Confident9 Ų954 Ų545%0.04626%0.259CS..Hα-helixtrans-72.1-42.3176.2-70.1-75.7000110.8M1 P2 R3 E4 M8 M9 L10 A17 S35M1-I6 HydrophobicContact CB-CD1 4.06Å; M1-I6 HydrophobicContact CB-CG1 3.94Å; M1-I6 HydrophobicContact CG-CD1 4.1Å; M1-I6 HydrophobicContact CG-CG1 3.89Å; M1-I6 HydrophobicContact SD-CD1 3.4Å; M1-I6 WeakPolarHBondContact SD-CD1 3.4Å; M1-I6 HydrophobicContact SD-CG1 3.74Å; P2-I6 WeakPolarHBondContact O-CG1 3.41Å; P2-I6 PolarHBondContact O-N 3.16Å; R3-I6 PolarHBondContact O-N 3.04Å; R3-I6 VanDerWaalsContact O-N 3.15Å; E4-I6 VanDerWaalsContact C-N 3.34Å; E4-I6 PolarHBondContact O-N 3.04Å; I6-M8 PolarHBondContact O-N 3.1Å; I6-M9 PolarHBondContact O-N 3.26Å; I6-L10 HydrophobicContact CG2-CD1 4Å; I6-L10 HydrophobicContact CG2-CG 4.37Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 3.45Å; I6-A17 HydrophobicContact CD1-CB 4.05Å; I6-S35 VanDerWaalsContact CG2-CB 3.5Å
7E89.3Confident88.3Confident65 Ų6551.4 Ų51.430%0.30425%0.248SC..Hα-helixtrans-58.7-35.5177.1-72.2174.8172.500112R3 E4 M9 V42 H44R3-E7 HydrophobicContact CG-CG 4.36Å; R3-E7 IonicContact CZ-OE1 3.42Å; R3-E7 IonicContact NE-OE1 2.76Å; R3-E7 PolarHBondContact NE-OE1 3.38Å; R3-E7 IonicContact NH2-OE1 3.22Å; R3-E7 PolarHBondContact NH2-OE1 3.3Å; R3-E7 WeakPolarHBondContact O-CG 3.45Å; R3-E7 PolarHBondContact O-N 3.27Å; E4-E7 PolarHBondContact O-N 2.79Å; E7-M9 VanDerWaalsContact C-N 3.33Å; E7-V42 HydrophobicContact CB-CG2 4.24Å; E7-V42 HydrophobicContact CG-CB 3.93Å; E7-V42 HydrophobicContact CG-CG1 3.88Å; E7-V42 HydrophobicContact CG-CG2 4.11Å; E7-H44 IonicContact OE1-CD2 3.37Å; E7-H44 IonicContact OE1-CE1 3.79Å; E7-H44 IonicContact OE1-NE2 2.97Å; E7-H44 PolarHBondContact OE1-NE2 3.08Å
8M84.1Confident88.6Confident105 Ų10552.3 Ų52.352%0.51726%0.257SS..THydrogen-bonded Turntrans-74.2-18.6175.5-69.3-179.970.800114.5E4 I6E4-M8 VanDerWaalsContact O-CG 3.32Å; E4-M8 WeakPolarHBondContact O-CG 3.38Å; E4-M8 PolarHBondContact O-N 3.4Å; E4-M8 VanDerWaalsContact O-N 3.09Å; I6-M8 PolarHBondContact O-N 3.1Å
9M86.7Confident88.6Confident30 Ų3051.2 Ų51.215%0.14825%0.25CC..THydrogen-bonded Turntrans-95.8-19.1-175.8-73.5176.170.500113.5M1 D5 I6 E7 L95 A98 W100M1-M9 HydrophobicContact CE-CE 4.48Å; M1-M9 HydrophobicContact CE-SD 3.96Å; M1-M9 HydrophobicContact SD-SD 3.5Å; D5-M9 VanDerWaalsContact O-CG 3.23Å; D5-M9 WeakPolarHBondContact O-CG 3.31Å; D5-M9 PolarHBondContact O-N 3.3Å; I6-M9 PolarHBondContact O-N 3.26Å; E7-M9 VanDerWaalsContact C-N 3.33Å; M9-L95 HydrophobicContact CB-CD2 3.7Å; M9-L95 HydrophobicContact CE-CD2 3.91Å; M9-L95 HydrophobicContact CE-CG 4.49Å; M9-A98 HydrophobicContact CE-CB 4.12Å; M9-W100 HydrophobicContact CE-CZ2 4.01Å; M9-W100 HydrophobicContact SD-CH2 4.03Å; M9-W100 HydrophobicContact SD-CZ2 3.83Å
10L91.6Very high88.5Confident7 Ų756.9 Ų56.94%0.03727%0.273CS..  trans-86.4115.5176.7-58.2171.9000108.4I6 E15 L37 V42 L95I6-L10 HydrophobicContact CG2-CD1 4Å; I6-L10 HydrophobicContact CG2-CG 4.37Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 3.45Å; L10-E15 HydrophobicContact CD2-CB 4.31Å; L10-E15 HydrophobicContact CD2-CG 3.91Å; L10-L37 HydrophobicContact CB-CB 3.79Å; L10-L37 WeakPolarHBondContact O-CD2 3.44Å; L10-V42 HydrophobicContact CD1-CG1 3.79Å; L10-V42 HydrophobicContact CD1-CG2 4.48Å; L10-L95 HydrophobicContact CD2-CB 4.19Å; L10-L95 HydrophobicContact CD2-CD2 3.9Å
11L91.3Very high88.1Confident123 Ų12355.4 Ų55.464%0.64427%0.269SS*.  trans-115-26.7-171.1-60.4179.3000112.8E15L11-E15 PolarHBondContact N-OE2 2.95Å
12H93.6Very high87.9Confident112 Ų11257.4 Ų57.452%0.51929%0.294SS..SBendtrans-117.4150.1-175.9-48.893.3000112.5G14 E15 I93H12-G14 PolarHBondContact O-N 3.2Å; H12-E15 HydrophobicContact CB-CB 4.41Å; H12-E15 PolarHBondContact N-OE2 3.3Å; H12-E15 IonicContact ND1-OE2 2.92Å; H12-E15 PolarHBondContact ND1-OE2 3.41Å; H12-E15 WeakPolarHBondContact O-CB 3.48Å; H12-E15 PolarHBondContact O-N 3.13Å; H12-I93 HydrophobicContact CB-CD1 4.49Å
13N94.9Very high87.4Confident81 Ų8163.1 Ų63.143%0.43331%0.313SS..THydrogen-bonded Turntrans-59.1135.1174.6-90.64.8000111E15 L37 D39N13-E15 PolarHBondContact O-N 3.47Å; N13-L37 CarbonylContact C-O 3.51Å; N13-L37 WeakPolarHBondContact CA-O 3.46Å; N13-D39 PolarHBondContact OD1-N 2.91Å
14G95.5Very high86.7Confident0 Ų064.7 Ų64.70%032%0.324CS..THydrogen-bonded Turntrans75.1-0.2-175.600000114.4H12 L37 T90 L92 I93H12-G14 PolarHBondContact O-N 3.2Å; G14-L37 PolarHBondContact N-O 3.45Å; G14-T90 WeakPolarHBondContact CA-O 3.4Å; G14-L92 PolarHBondContact O-N 3.18Å; G14-I93 PolarHBondContact O-N 3.07Å
15E96.4Very high86.2Confident19 Ų1966.1 Ų66.19%0.08933%0.332CS..EExtended strand (participates in β ladder)trans-68.8133170.9-167.2172.1-162.500110L10 L11 H12 N13 V36 L37 I93 L95L10-E15 HydrophobicContact CD2-CB 4.31Å; L10-E15 HydrophobicContact CD2-CG 3.91Å; L11-E15 PolarHBondContact N-OE2 2.95Å; H12-E15 HydrophobicContact CB-CB 4.41Å; H12-E15 PolarHBondContact N-OE2 3.3Å; H12-E15 IonicContact ND1-OE2 2.92Å; H12-E15 PolarHBondContact ND1-OE2 3.41Å; H12-E15 WeakPolarHBondContact O-CB 3.48Å; H12-E15 PolarHBondContact O-N 3.13Å; N13-E15 PolarHBondContact O-N 3.47Å; E15-V36 VanDerWaalsContact O-CA 3.3Å; E15-V36 WeakPolarHBondContact O-CA 3.39Å; E15-L37 PolarHBondContact O-N 2.89Å; E15-I93 CarbonylContact C-O 3.6Å; E15-I93 VanDerWaalsContact CA-O 3.24Å; E15-I93 WeakPolarHBondContact CA-O 3.35Å; E15-I93 HydrophobicContact CB-CB 4.4Å; E15-I93 HydrophobicContact CG-CB 4.48Å; E15-I93 HydrophobicContact CG-CG2 4.47Å; E15-L95 HydrophobicContact CG-CB 4.24Å; E15-L95 WeakPolarHBondContact OE1-CD1 3.37Å
16F96.4Very high86.1Confident10 Ų1068.2 Ų68.24%0.04434%0.343CS..EExtended strand (participates in β ladder)trans-144.3154.2-172.475.2-87.4000114.6V34 S35 V36 V73 V77 L91 I93 P94 L95F16-V34 HydrophobicContact CB-CG1 4.43Å; F16-V34 HydrophobicContact CD2-CG1 4.35Å; F16-S35 CarbonylContact C-O 3.58Å; F16-S35 WeakPolarHBondContact CA-O 3.32Å; F16-S35 WeakPolarHBondContact CB-O 3.46Å; F16-V36 HydrophobicContact CB-CB 3.85Å; F16-V36 HydrophobicContact CB-CG2 4.04Å; F16-V73 HydrophobicContact CD2-CG1 4.47Å; F16-V73 HydrophobicContact CE2-CG1 3.43Å; F16-V73 VanDerWaalsContact CE2-CG1 3.43Å; F16-V73 HydrophobicContact CZ-CG1 3.69Å; F16-V77 HydrophobicContact CE1-CG2 3.64Å; F16-V77 HydrophobicContact CZ-CG2 3.55Å; F16-L91 HydrophobicContact CB-CD2 3.68Å; F16-L91 HydrophobicContact CD1-CB 3.77Å; F16-L91 HydrophobicContact CD1-CD2 4.11Å; F16-L91 HydrophobicContact CD1-CG 4.42Å; F16-L91 HydrophobicContact CD2-CD1 4.35Å; F16-L91 HydrophobicContact CD2-CD2 4.22Å; F16-L91 HydrophobicContact CE1-CB 3.89Å; F16-L91 HydrophobicContact CE2-CD1 4.45Å; F16-L91 HydrophobicContact CG-CB 4.22Å; F16-L91 HydrophobicContact CG-CD2 3.74Å; F16-L91 HydrophobicContact CG-CG 4.38Å; F16-L91 HydrophobicContact CZ-CB 4.45Å; F16-I93 WeakPolarHBondContact CD1-O 3.27Å; F16-I93 PolarHBondContact N-O 3.22Å; F16-P94 HydrophobicContact CE1-CB 4.06Å; F16-P94 HydrophobicContact CE2-CB 4.45Å; F16-P94 HydrophobicContact CZ-CB 3.81Å; F16-L95 WeakPolarHBondContact O-CB 3.49Å; F16-L95 PolarHBondContact O-N 3.36Å
17A94.7Very high85.9Confident9 Ų979.5 Ų79.57%0.07439%0.385CS..EExtended strand (participates in β ladder)trans-135.9141.817400000111.9I6 V34 S35 L95I6-A17 HydrophobicContact CD1-CB 4.05Å; A17-V34 WeakPolarHBondContact O-CA 3.39Å; A17-S35 PolarHBondContact N-O 3.44Å; A17-S35 PolarHBondContact O-N 2.95Å; A17-L95 HydrophobicContact CB-CB 4.27Å; A17-L95 HydrophobicContact CB-CD2 4.19Å
18V93.5Very high85.8Confident68 Ų6882.3 Ų82.341%0.41239%0.393SS..EExtended strand (participates in β ladder)trans-95.7128.4170.4-171.10000109.2V34 V69 V73V18-V34 HydrophobicContact CG2-CG2 4.28Å; V18-V69 HydrophobicContact CG1-CG1 4.02Å; V18-V73 HydrophobicContact CG2-CG2 3.9Å
19R89.8Confident85.9Confident31 Ų3177.7 Ų77.712%0.11737%0.371CS..EExtended strand (participates in β ladder)trans-135.4151.4-179.363.9-175.2179.176.1-1.3112.2F32 C33 S35 H44R19-F32 CarbonylContact O-C 3.46Å; R19-F32 WeakPolarHBondContact O-CA 3.4Å; R19-C33 HydrophobicContact CG-CB 4.23Å; R19-C33 PolarHBondContact N-O 3.3Å; R19-C33 PolarHBondContact NH2-SG 3.22Å; R19-C33 PolarHBondContact O-N 3.17Å; R19-S35 PolarHBondContact NE-OG 3.34Å; R19-H44 PolarHBondContact NH2-ND1 3.35Å
20K86Confident86Confident165 Ų16577.6 Ų77.672%0.71737%0.373SS*.EExtended strand (participates in β ladder)trans-70.2137.4162.6-71.3-176.4179.7178.60109.6G31 F32K20-G31 CarbonylContact C-O 3.56Å; K20-G31 WeakPolarHBondContact CA-O 3.24Å; K20-F32 HydrophobicContact CG-CD1 4.02Å; K20-F32 HydrophobicContact CG-CE1 3.69Å
21S80.6Confident85.9Confident26 Ų2678 Ų7818%0.18238%0.379CS..  trans-118.8129176-1760000108.9Y23 G31S21-Y23 PolarHBondContact O-N 3.01Å; S21-Y23 PolarHBondContact OG-N 3.11Å; S21-G31 PolarHBondContact N-O 3.38Å
22A70.1Confident86Confident95 Ų9575 Ų7579%0.78536%0.361SS*.SBendtrans-73.2-15.117000000112.1K24A22-K24 PolarHBondContact O-N 3.24Å
23Y66.3Low85.9Confident145 Ų14569.8 Ų69.857%0.56934%0.337SS*.  trans-81.3114.1-178.9-168.1-114.7000110.5S21 M25S21-Y23 PolarHBondContact O-N 3.01Å; S21-Y23 PolarHBondContact OG-N 3.11Å; Y23-M25 HydrophobicContact CD1-CB 4.49Å; Y23-M25 HydrophobicContact CD1-CE 4.09Å; Y23-M25 HydrophobicContact CD1-CG 3.64Å; Y23-M25 HydrophobicContact CD1-SD 4.33Å; Y23-M25 HydrophobicContact CE1-CB 4.13Å; Y23-M25 HydrophobicContact CE1-CE 3.51Å; Y23-M25 HydrophobicContact CE1-CG 3.31Å; Y23-M25 HydrophobicContact CE1-SD 3.52Å; Y23-M25 VanDerWaalsContact CE1-SD 3.52Å
24K69.5Low86Confident162 Ų16266 Ų6670%0.70432%0.317SS*.  trans-99.589.9170.1-65.7-175.2179.3-177.90108A22 D26 A29A22-K24 PolarHBondContact O-N 3.24Å; K24-D26 PolarHBondContact O-N 3.04Å; K24-A29 HydrophobicContact CB-CB 4.46Å
25M70.8Confident86Confident118 Ų11866 Ų6658%0.58132%0.317SS*.  trans-52.4-42.1174.7-76.4-99.9176.800111.3Y23 V46Y23-M25 HydrophobicContact CD1-CB 4.49Å; Y23-M25 HydrophobicContact CD1-CE 4.09Å; Y23-M25 HydrophobicContact CD1-CG 3.64Å; Y23-M25 HydrophobicContact CD1-SD 4.33Å; Y23-M25 HydrophobicContact CE1-CB 4.13Å; Y23-M25 HydrophobicContact CE1-CE 3.51Å; Y23-M25 HydrophobicContact CE1-CG 3.31Å; Y23-M25 HydrophobicContact CE1-SD 3.52Å; Y23-M25 VanDerWaalsContact CE1-SD 3.52Å; M25-V46 HydrophobicContact CG-CG2 4.14Å
26D79.7Confident86Confident52 Ų5265 Ų6528%0.27831%0.312SS..SBendtrans-149.1172.1-170.566.453.2000110.3K24 R28 A29 R48K24-D26 PolarHBondContact O-N 3.04Å; D26-R28 PolarHBondContact O-N 3.46Å; D26-R28 VanDerWaalsContact OD1-C 3.27Å; D26-R28 VanDerWaalsContact OD1-CA 3.23Å; D26-R28 WeakPolarHBondContact OD1-CA 3.28Å; D26-R28 WeakPolarHBondContact OD1-CB 3.43Å; D26-R28 PolarHBondContact OD1-N 3.07Å; D26-A29 WeakPolarHBondContact O-CB 3.39Å; D26-A29 PolarHBondContact O-N 3.45Å; D26-A29 PolarHBondContact OD1-N 3.34Å; D26-R48 IonicContact OD2-CZ 3.8Å; D26-R48 IonicContact OD2-NE 3.1Å; D26-R48 PolarHBondContact OD2-NE 2.72Å; D26-R48 VanDerWaalsContact OD2-NE 3.1Å; D26-R48 IonicContact OD2-NH2 3.56Å
27R83.3Confident86Confident246 Ų24665.4 Ų65.493%0.92832%0.315SS*.THydrogen-bonded Turntrans-66.8-18.5-179.6-68.2-174.5179.7-174.40.4114F49R27-F49 VanDerWaalsContact O-CE1 3.32Å; R27-F49 WeakPolarHBondContact O-CE1 3.23Å; R27-F49 WeakPolarHBondContact O-CZ 3.41Å
28R86.3Confident86Confident125 Ų12567.7 Ų67.747%0.47232%0.321SS..THydrogen-bonded Turntrans-94.3-6.3178.5-64-169.4-66.9-176.8-1.5112.8D26 S30 R48 F49D26-R28 PolarHBondContact O-N 3.46Å; D26-R28 VanDerWaalsContact OD1-C 3.27Å; D26-R28 VanDerWaalsContact OD1-CA 3.23Å; D26-R28 WeakPolarHBondContact OD1-CA 3.28Å; D26-R28 WeakPolarHBondContact OD1-CB 3.43Å; D26-R28 PolarHBondContact OD1-N 3.07Å; R28-S30 PolarHBondContact O-N 3.45Å; R28-S30 VanDerWaalsContact O-N 3.12Å; R28-R48 HydrophobicContact CB-CB 4.3Å; R28-R48 HydrophobicContact CB-CG 4.47Å; R28-R48 CarbonylContact O-C 3.52Å; R28-R48 VanDerWaalsContact O-CA 3.24Å; R28-R48 WeakPolarHBondContact O-CA 3.29Å; R28-F49 WeakPolarHBondContact O-CD1 3.47Å; R28-F49 WeakPolarHBondContact O-CE1 3.46Å; R28-F49 PolarHBondContact O-N 2.7Å
29A86.6Confident86Confident7 Ų770.2 Ų70.26%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-59.6118.4177.700000109.8K24 D26 G31 V46K24-A29 HydrophobicContact CB-CB 4.46Å; D26-A29 WeakPolarHBondContact O-CB 3.39Å; D26-A29 PolarHBondContact O-N 3.45Å; D26-A29 PolarHBondContact OD1-N 3.34Å; A29-G31 PolarHBondContact O-N 2.98Å; A29-V46 HydrophobicContact CB-CG1 4.01Å
30S89.7Confident86.1Confident28 Ų2878.1 Ų78.120%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-70.5-11.6179.667.20000113.4R28 F32 V47R28-S30 PolarHBondContact O-N 3.45Å; R28-S30 VanDerWaalsContact O-N 3.12Å; S30-F32 PolarHBondContact OG-N 2.99Å; S30-F32 VanDerWaalsContact OG-N 3.07Å; S30-V47 VanDerWaalsContact CB-O 3.24Å; S30-V47 WeakPolarHBondContact CB-O 3.1Å; S30-V47 PolarHBondContact N-O 3.2Å; S30-V47 PolarHBondContact OG-O 3.47Å
31G89.3Confident86.5Confident15 Ų1577 Ų7716%0.15536%0.363CS..EExtended strand (participates in β ladder)trans80.23.3-167.700000113.1K20 S21 A29K20-G31 CarbonylContact C-O 3.56Å; K20-G31 WeakPolarHBondContact CA-O 3.24Å; S21-G31 PolarHBondContact N-O 3.38Å; A29-G31 PolarHBondContact O-N 2.98Å
32F92.2Very high87.1Confident61 Ų6177 Ų7727%0.26836%0.362SS..EExtended strand (participates in β ladder)trans-103149168.8-61.7-77.5000111.6R19 K20 S30 V47 V69R19-F32 CarbonylContact O-C 3.46Å; R19-F32 WeakPolarHBondContact O-CA 3.4Å; K20-F32 HydrophobicContact CG-CD1 4.02Å; K20-F32 HydrophobicContact CG-CE1 3.69Å; S30-F32 PolarHBondContact OG-N 2.99Å; S30-F32 VanDerWaalsContact OG-N 3.07Å; F32-V47 HydrophobicContact CB-CB 4.03Å; F32-V47 HydrophobicContact CB-CG2 4.15Å; F32-V47 PolarHBondContact O-N 3.33Å; F32-V69 HydrophobicContact CD2-CG2 4.01Å; F32-V69 HydrophobicContact CE2-CG2 4.43Å; F32-V69 HydrophobicContact CG-CG2 4.4Å
33C93.5Very high88.3Confident3 Ų373.8 Ų73.82%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-138.8135.8176.3174.80000109.2R19 V45R19-C33 HydrophobicContact CG-CB 4.23Å; R19-C33 PolarHBondContact N-O 3.3Å; R19-C33 PolarHBondContact NH2-SG 3.22Å; R19-C33 PolarHBondContact O-N 3.17Å; C33-V45 CarbonylContact C-O 3.56Å; C33-V45 VanDerWaalsContact CA-O 3.28Å; C33-V45 WeakPolarHBondContact CA-O 3.37Å; C33-V45 PolarHBondContact SG-O 3.33Å; C33-V45 VanDerWaalsContact SG-O 3.37Å
34V95.1Very high89.6Confident0 Ų069 Ų690%031%0.314CS..EExtended strand (participates in β ladder)trans-94.1125.7167.6-178.50000107.7F16 A17 V18 H44 V45 V47 F60 V73 L91F16-V34 HydrophobicContact CB-CG1 4.43Å; F16-V34 HydrophobicContact CD2-CG1 4.35Å; A17-V34 WeakPolarHBondContact O-CA 3.39Å; V18-V34 HydrophobicContact CG2-CG2 4.28Å; V34-H44 CarbonylContact O-C 3.49Å; V34-H44 WeakPolarHBondContact O-CA 3.47Å; V34-V45 PolarHBondContact N-O 3.11Å; V34-V45 PolarHBondContact O-N 3.35Å; V34-V47 HydrophobicContact CG2-CG2 3.95Å; V34-F60 HydrophobicContact CB-CE1 4.18Å; V34-F60 HydrophobicContact CB-CZ 4.33Å; V34-F60 HydrophobicContact CG2-CE1 3.74Å; V34-F60 HydrophobicContact CG2-CZ 3.79Å; V34-V73 HydrophobicContact CG2-CG2 4.38Å; V34-L91 HydrophobicContact CG1-CD1 4.31Å; V34-L91 HydrophobicContact CG1-CD2 3.81Å
35S95.4Very high90.7Very high0 Ų061.7 Ų61.70%028%0.283CS..EExtended strand (participates in β ladder)trans-109.7127.4172.8-51.80000107.9I6 F16 A17 R19 N43 H44I6-S35 VanDerWaalsContact CG2-CB 3.5Å; F16-S35 CarbonylContact C-O 3.58Å; F16-S35 WeakPolarHBondContact CA-O 3.32Å; F16-S35 WeakPolarHBondContact CB-O 3.46Å; A17-S35 PolarHBondContact N-O 3.44Å; A17-S35 PolarHBondContact O-N 2.95Å; R19-S35 PolarHBondContact NE-OG 3.34Å; S35-N43 CarbonylContact C-O 3.53Å; S35-N43 VanDerWaalsContact CA-O 3.26Å; S35-N43 WeakPolarHBondContact CA-O 3.35Å; S35-H44 WeakPolarHBondContact CB-ND1 3.25Å; S35-H44 PolarHBondContact OG-ND1 3.39Å
36V96.8Very high91.8Very high0 Ų057 Ų570%026%0.261CS..EExtended strand (participates in β ladder)trans-137.4135.2-17655.80000109.9E15 F16 V42 N43 I83 V89 L91E15-V36 VanDerWaalsContact O-CA 3.3Å; E15-V36 WeakPolarHBondContact O-CA 3.39Å; F16-V36 HydrophobicContact CB-CB 3.85Å; F16-V36 HydrophobicContact CB-CG2 4.04Å; V36-V42 CarbonylContact O-C 3.58Å; V36-V42 WeakPolarHBondContact O-CA 3.43Å; V36-N43 HydrophobicContact CG1-CB 4.08Å; V36-N43 PolarHBondContact N-O 3.37Å; V36-N43 PolarHBondContact O-N 2.93Å; V36-I83 HydrophobicContact CG1-CD1 3.87Å; V36-V89 HydrophobicContact CG1-CG1 3.34Å; V36-V89 HydrophobicContact CG2-CG1 4.44Å; V36-L91 HydrophobicContact CB-CD2 3.96Å; V36-L91 HydrophobicContact CG1-CD2 4.34Å; V36-L91 HydrophobicContact CG2-CD2 4Å
37L96.7Very high92.5Very high17 Ų1754.5 Ų54.59%0.08925%0.247CC..EExtended strand (participates in β ladder)trans-84.6124.4171.7175.663.4000109L10 N13 G14 E15 V42L10-L37 HydrophobicContact CB-CB 3.79Å; L10-L37 WeakPolarHBondContact O-CD2 3.44Å; N13-L37 CarbonylContact C-O 3.51Å; N13-L37 WeakPolarHBondContact CA-O 3.46Å; G14-L37 PolarHBondContact N-O 3.45Å; E15-L37 PolarHBondContact O-N 2.89Å; L37-V42 HydrophobicContact CD1-CG2 3.99Å
38W95.8Very high93Very high58 Ų5845.6 Ų45.622%0.2221%0.214CC..EExtended strand (participates in β ladder)trans-144.5128.3173.6-162.6-90.8000109.6K40 K41 D88 V89 T90 L92W38-K40 PolarHBondContact O-N 3.42Å; W38-K41 PolarHBondContact N-O 3.44Å; W38-K41 PolarHBondContact O-N 3Å; W38-D88 WeakPolarHBondContact CH2-O 3.44Å; W38-D88 HydrophobicContact CZ2-CB 4.02Å; W38-D88 WeakPolarHBondContact CZ2-O 3.33Å; W38-D88 PolarHBondContact NE1-O 3.34Å; W38-V89 HydrophobicContact CB-CB 4.47Å; W38-V89 HydrophobicContact CB-CG1 4.22Å; W38-V89 HydrophobicContact CB-CG2 4.07Å; W38-V89 HydrophobicContact CG-CB 4.44Å; W38-V89 HydrophobicContact CG-CG2 4.12Å; W38-T90 WeakPolarHBondContact CZ3-O 3.47Å; W38-L92 HydrophobicContact CH2-CD1 4.17Å; W38-L92 HydrophobicContact CZ3-CD1 3.81Å; W38-L92 HydrophobicContact CZ3-CG 4.23Å
39D93.6Very high93.3Very high121 Ų12141.9 Ų41.965%0.64720%0.201SC*.THydrogen-bonded Turntrans4855.7-177.7-168.128.4000112.9N13 K41N13-D39 PolarHBondContact OD1-N 2.91Å; D39-K41 PolarHBondContact O-N 3.16Å
40K90.3Very high93.6Very high197 Ų19742.8 Ų42.886%0.85720%0.203SC*.THydrogen-bonded Turntrans60.66.1-179.6-55176.8-178.7173.70115.1W38W38-K40 PolarHBondContact O-N 3.42Å
41K94Very high93.6Very high141 Ų14150.6 Ų50.661%0.61323%0.228SC*.EExtended strand (participates in β ladder)trans-115.9129.9178.5-176-179.9176.5-175.20110.7W38 D39 N43W38-K41 PolarHBondContact N-O 3.44Å; W38-K41 PolarHBondContact O-N 3Å; D39-K41 PolarHBondContact O-N 3.16Å; K41-N43 PolarHBondContact O-N 3.23Å; K41-N43 PolarHBondContact O-ND2 3.06Å
42V94.4Very high93.5Very high27 Ų2753 Ų5316%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-83.6119172-175.10000109.4E7 L10 V36 L37 H44E7-V42 HydrophobicContact CB-CG2 4.24Å; E7-V42 HydrophobicContact CG-CB 3.93Å; E7-V42 HydrophobicContact CG-CG1 3.88Å; E7-V42 HydrophobicContact CG-CG2 4.11Å; L10-V42 HydrophobicContact CD1-CG1 3.79Å; L10-V42 HydrophobicContact CD1-CG2 4.48Å; V36-V42 CarbonylContact O-C 3.58Å; V36-V42 WeakPolarHBondContact O-CA 3.43Å; L37-V42 HydrophobicContact CD1-CG2 3.99Å; V42-H44 VanDerWaalsContact CG1-CE1 3.49Å; V42-H44 WeakPolarHBondContact CG1-CE1 3.31Å
43N94.6Very high93.2Very high26 Ų2659.9 Ų59.914%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-98.7133.7177-63.7-75.2000109.5S35 V36 K41 V89S35-N43 CarbonylContact C-O 3.53Å; S35-N43 VanDerWaalsContact CA-O 3.26Å; S35-N43 WeakPolarHBondContact CA-O 3.35Å; V36-N43 HydrophobicContact CG1-CB 4.08Å; V36-N43 PolarHBondContact N-O 3.37Å; V36-N43 PolarHBondContact O-N 2.93Å; K41-N43 PolarHBondContact O-N 3.23Å; K41-N43 PolarHBondContact O-ND2 3.06Å; N43-V89 HydrophobicContact CB-CG1 4.31Å
44H93.3Very high92.9Very high46 Ų4667 Ų6721%0.21330%0.304CS..EExtended strand (participates in β ladder)trans-115.6105.3178-58.8-72000110.4R3 E7 R19 V34 S35 V42R3-H44 VanDerWaalsContact CZ-CD2 3.41Å; R3-H44 PolarHBondContact NE-CD2 3.01Å; R3-H44 PolarHBondContact NE-NE2 3.36Å; R3-H44 PolarHBondContact NH2-CD2 3.17Å; R3-H44 VanDerWaalsContact NH2-CD2 3.29Å; E7-H44 IonicContact OE1-CD2 3.37Å; E7-H44 IonicContact OE1-CE1 3.79Å; E7-H44 IonicContact OE1-NE2 2.97Å; E7-H44 PolarHBondContact OE1-NE2 3.08Å; R19-H44 PolarHBondContact NH2-ND1 3.35Å; V34-H44 CarbonylContact O-C 3.49Å; V34-H44 WeakPolarHBondContact O-CA 3.47Å; S35-H44 WeakPolarHBondContact CB-ND1 3.25Å; S35-H44 PolarHBondContact OG-ND1 3.39Å; V42-H44 VanDerWaalsContact CG1-CE1 3.49Å; V42-H44 WeakPolarHBondContact CG1-CE1 3.31Å
45V93.5Very high92.7Very high8 Ų868.5 Ų68.55%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-103.5122.7-176.1-1690000109.4C33 V34 F60 I83 L84C33-V45 CarbonylContact C-O 3.56Å; C33-V45 VanDerWaalsContact CA-O 3.28Å; C33-V45 WeakPolarHBondContact CA-O 3.37Å; C33-V45 PolarHBondContact SG-O 3.33Å; C33-V45 VanDerWaalsContact SG-O 3.37Å; V34-V45 PolarHBondContact N-O 3.11Å; V34-V45 PolarHBondContact O-N 3.35Å; V45-F60 HydrophobicContact CB-CD1 4.27Å; V45-F60 HydrophobicContact CB-CE1 4.34Å; V45-F60 HydrophobicContact CG1-CB 4.24Å; V45-F60 HydrophobicContact CG1-CD1 3.45Å; V45-F60 VanDerWaalsContact CG1-CD1 3.45Å; V45-F60 HydrophobicContact CG1-CE1 4Å; V45-F60 HydrophobicContact CG1-CG 4.02Å; V45-I83 HydrophobicContact CB-CD1 4.03Å; V45-I83 HydrophobicContact CG2-CD1 3.47Å; V45-I83 VanDerWaalsContact CG2-CD1 3.47Å; V45-I83 HydrophobicContact CG2-CG1 4.17Å; V45-L84 HydrophobicContact CG1-CD2 3.99Å; V45-L84 HydrophobicContact CG2-CD1 3.89Å; V45-L84 HydrophobicContact CG2-CD2 3.89Å; V45-L84 HydrophobicContact CG2-CG 3.83Å
46V93.3Very high92.5Very high18 Ų1871 Ų7111%0.10934%0.335CS..EExtended strand (participates in β ladder)trans-76.5127.2178.1176.30000109.3M25 A29M25-V46 HydrophobicContact CG-CG2 4.14Å; A29-V46 HydrophobicContact CB-CG1 4.01Å
47V94.4Very high92.5Very high0 Ų072.7 Ų72.70%034%0.343CS..EExtended strand (participates in β ladder)trans-78.7128.2170.4-178.10000107.7S30 F32 V34 Y58 F60 V69 L72S30-V47 VanDerWaalsContact CB-O 3.24Å; S30-V47 WeakPolarHBondContact CB-O 3.1Å; S30-V47 PolarHBondContact N-O 3.2Å; S30-V47 PolarHBondContact OG-O 3.47Å; F32-V47 HydrophobicContact CB-CB 4.03Å; F32-V47 HydrophobicContact CB-CG2 4.15Å; F32-V47 PolarHBondContact O-N 3.33Å; V34-V47 HydrophobicContact CG2-CG2 3.95Å; V47-Y58 HydrophobicContact CG1-CD1 4.09Å; V47-Y58 HydrophobicContact CG1-CG 4.48Å; V47-F60 HydrophobicContact CG2-CD1 4.39Å; V47-F60 HydrophobicContact CG2-CE1 3.81Å; V47-V69 HydrophobicContact CG1-CG2 4.19Å; V47-V69 HydrophobicContact CG2-CG1 4.43Å; V47-L72 HydrophobicContact CG1-CD2 3.9Å
48R94.3Very high92.4Very high60 Ų6074.5 Ų74.523%0.22635%0.349CS..EExtended strand (participates in β ladder)trans-106.4148.6179.6-65.5-176.9176.987.40.5110.4D26 R28 Y50 Y58 G59 F60D26-R48 IonicContact OD2-CZ 3.8Å; D26-R48 IonicContact OD2-NE 3.1Å; D26-R48 PolarHBondContact OD2-NE 2.72Å; D26-R48 VanDerWaalsContact OD2-NE 3.1Å; D26-R48 IonicContact OD2-NH2 3.56Å; R28-R48 HydrophobicContact CB-CB 4.3Å; R28-R48 HydrophobicContact CB-CG 4.47Å; R28-R48 CarbonylContact O-C 3.52Å; R28-R48 VanDerWaalsContact O-CA 3.24Å; R28-R48 WeakPolarHBondContact O-CA 3.29Å; R48-Y50 HydrophobicContact CB-CE2 3.84Å; R48-Y58 VanDerWaalsContact O-CA 3.3Å; R48-Y58 WeakPolarHBondContact O-CA 3.48Å; R48-G59 PolarHBondContact N-O 2.9Å; R48-G59 PolarHBondContact O-N 3.11Å; R48-F60 PolarHBondContact NH1-O 3.09Å
49F92.6Very high92.4Very high47 Ų4771.8 Ų71.821%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-94.9146.2168.771.4-98.1000110.8R27 R28 R51 V56 Q57 Y58R27-F49 VanDerWaalsContact O-CE1 3.32Å; R27-F49 WeakPolarHBondContact O-CE1 3.23Å; R27-F49 WeakPolarHBondContact O-CZ 3.41Å; R28-F49 WeakPolarHBondContact O-CD1 3.47Å; R28-F49 WeakPolarHBondContact O-CE1 3.46Å; R28-F49 PolarHBondContact O-N 2.7Å; F49-R51 HydrophobicContact CD2-CG 4.13Å; F49-R51 HydrophobicContact CE2-CG 4.29Å; F49-V56 HydrophobicContact CB-CG1 3.69Å; F49-V56 HydrophobicContact CD2-CG1 4.5Å; F49-V56 HydrophobicContact CG-CG1 4.4Å; F49-Q57 CarbonylContact C-O 3.54Å; F49-Q57 VanDerWaalsContact CA-O 3.24Å; F49-Q57 WeakPolarHBondContact CA-O 3.28Å; F49-Y58 HydrophobicContact CB-CD1 4.45Å; F49-Y58 HydrophobicContact CB-CE1 4.4Å
50Y92.9Very high92.4Very high26 Ų2666.2 Ų66.210%0.10231%0.308CS..EExtended strand (participates in β ladder)trans-127.3128.9176.1-62.2-96.5000107R48 Q57 D61 G62 K65R48-Y50 HydrophobicContact CB-CE2 3.84Å; Y50-Q57 PolarHBondContact N-O 3.5Å; Y50-Q57 PolarHBondContact O-N 3.38Å; Y50-D61 PolarHBondContact OH-O 3.33Å; Y50-D61 VanDerWaalsContact OH-O 3.04Å; Y50-G62 WeakPolarHBondContact OH-CA 3.13Å; Y50-G62 PolarHBondContact OH-N 3.45Å; Y50-G62 VanDerWaalsContact OH-N 3.12Å; Y50-K65 HydrophobicContact CD2-CD 4.47Å; Y50-K65 HydrophobicContact CD2-CG 4.36Å; Y50-K65 HydrophobicContact CG-CD 4.11Å; Y50-K65 HydrophobicContact CG-CG 4.49Å
51R90.2Very high92.3Very high191 Ų19159.8 Ų59.872%0.72128%0.283SS*.EExtended strand (participates in β ladder)trans-99.3130.5178.8-66.1179.5179.6-1061108.8F49 G55 V56F49-R51 HydrophobicContact CD2-CG 4.13Å; F49-R51 HydrophobicContact CE2-CG 4.29Å; R51-G55 WeakPolarHBondContact CA-O 3.49Å; R51-V56 HydrophobicContact CG-CG2 4.35Å
52N86.7Confident92Very high67 Ų6754 Ų5436%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-131.1-175.5170.770.21.5000109.5E54 G55 Q57N52-E54 PolarHBondContact O-N 2.94Å; N52-E54 PolarHBondContact OD1-N 2.84Å; N52-G55 PolarHBondContact N-O 2.94Å; N52-G55 PolarHBondContact O-N 3.23Å; N52-G55 PolarHBondContact OD1-N 3.34Å; N52-G55 PolarHBondContact OD1-O 3.4Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å; N52-Q57 PolarHBondContact ND2-OE1 2.97Å
53Q86.8Confident91.8Very high205 Ų20556.1 Ų56.196%0.95828%0.28SS*.THydrogen-bonded Turntrans-63.6-25.2179.9-66.3-179.4-800113.2
54E85.9Confident91.7Very high151 Ų15157.5 Ų57.571%0.70629%0.286SS*.THydrogen-bonded Turntrans-87.7-7.9-179.8-59.9-177.1169.300113.8N52N52-E54 PolarHBondContact O-N 2.94Å; N52-E54 PolarHBondContact OD1-N 2.84Å
55G90.9Very high91.8Very high33 Ų3359.7 Ų59.734%0.3430%0.295SS..EExtended strand (participates in β ladder)trans129.5-145.2178.400000114R51 N52R51-G55 WeakPolarHBondContact CA-O 3.49Å; N52-G55 PolarHBondContact N-O 2.94Å; N52-G55 PolarHBondContact O-N 3.23Å; N52-G55 PolarHBondContact OD1-N 3.34Å; N52-G55 PolarHBondContact OD1-O 3.4Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å
56V92.5Very high91.9Very high53 Ų5361.6 Ų61.632%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-101.2127.5-178.1-175.30000109.6F49 R51F49-V56 HydrophobicContact CB-CG1 3.69Å; F49-V56 HydrophobicContact CD2-CG1 4.5Å; F49-V56 HydrophobicContact CG-CG1 4.4Å; R51-V56 HydrophobicContact CG-CG2 4.35Å
57Q95.4Very high92Very high34 Ų3467.8 Ų67.816%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-116.1158.2172.4-58.7-177.9-4200110.8F49 Y50 N52 K65 F66F49-Q57 CarbonylContact C-O 3.54Å; F49-Q57 VanDerWaalsContact CA-O 3.24Å; F49-Q57 WeakPolarHBondContact CA-O 3.28Å; Y50-Q57 PolarHBondContact N-O 3.5Å; Y50-Q57 PolarHBondContact O-N 3.38Å; N52-Q57 PolarHBondContact ND2-OE1 2.97Å; Q57-K65 HydrophobicContact CB-CB 3.93Å; Q57-F66 CarbonylContact C-O 3.42Å; Q57-F66 WeakPolarHBondContact CA-O 3.44Å
58Y95.5Very high92Very high56 Ų5670.6 Ų70.622%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-117.8141-178.2-59.7-89.3000111V47 R48 F49 K65 F66 K67 V69V47-Y58 HydrophobicContact CG1-CD1 4.09Å; V47-Y58 HydrophobicContact CG1-CG 4.48Å; R48-Y58 VanDerWaalsContact O-CA 3.3Å; R48-Y58 WeakPolarHBondContact O-CA 3.48Å; F49-Y58 HydrophobicContact CB-CD1 4.45Å; F49-Y58 HydrophobicContact CB-CE1 4.4Å; Y58-K65 WeakPolarHBondContact O-CA 3.38Å; Y58-F66 PolarHBondContact N-O 3.27Å; Y58-F66 PolarHBondContact O-N 3.42Å; Y58-K67 WeakPolarHBondContact CD2-O 3.41Å; Y58-K67 WeakPolarHBondContact CE2-O 3.41Å; Y58-V69 HydrophobicContact CD1-CG2 3.77Å; Y58-V69 HydrophobicContact CD2-CG2 4.29Å; Y58-V69 HydrophobicContact CE1-CG2 4.18Å; Y58-V69 HydrophobicContact CG-CG2 3.83Å
59G94.9Very high92Very high0 Ų068.7 Ų68.70%034%0.34CS..EExtended strand (participates in β ladder)trans-162.3174.5177.400000112.1R48R48-G59 PolarHBondContact N-O 2.9Å; R48-G59 PolarHBondContact O-N 3.11Å
60F93.4Very high92.2Very high4 Ų473.9 Ų73.92%0.01836%0.359CS..SBendtrans-92.2-54.3177.1-62.5-60.3000112.2V34 V45 V47 R48 L72 Y76 I83V34-F60 HydrophobicContact CB-CE1 4.18Å; V34-F60 HydrophobicContact CB-CZ 4.33Å; V34-F60 HydrophobicContact CG2-CE1 3.74Å; V34-F60 HydrophobicContact CG2-CZ 3.79Å; V45-F60 HydrophobicContact CB-CD1 4.27Å; V45-F60 HydrophobicContact CB-CE1 4.34Å; V45-F60 HydrophobicContact CG1-CB 4.24Å; V45-F60 HydrophobicContact CG1-CD1 3.45Å; V45-F60 VanDerWaalsContact CG1-CD1 3.45Å; V45-F60 HydrophobicContact CG1-CE1 4Å; V45-F60 HydrophobicContact CG1-CG 4.02Å; V47-F60 HydrophobicContact CG2-CD1 4.39Å; V47-F60 HydrophobicContact CG2-CE1 3.81Å; R48-F60 PolarHBondContact NH1-O 3.09Å; F60-L72 HydrophobicContact CD2-CD1 4.39Å; F60-L72 HydrophobicContact CE1-CD2 4.42Å; F60-L72 HydrophobicContact CE2-CD1 4.27Å; F60-L72 HydrophobicContact CE2-CD2 4.27Å; F60-L72 HydrophobicContact CE2-CG 4.22Å; F60-L72 HydrophobicContact CZ-CD2 4.17Å; F60-L72 HydrophobicContact CZ-CG 4.44Å; F60-Y76 HydrophobicContact CD2-CD2 4.08Å; F60-Y76 AromaticContact CD2-CE2 3.54Å; F60-Y76 HydrophobicContact CD2-CE2 3.54Å; F60-Y76 AromaticContact CD2-CZ 3.93Å; F60-Y76 AromaticContact CE2-CD2 3.6Å; F60-Y76 HydrophobicContact CE2-CD2 3.6Å; F60-Y76 AromaticContact CE2-CE2 3.57Å; F60-Y76 HydrophobicContact CE2-CE2 3.57Å; F60-Y76 HydrophobicContact CE2-CG 4.35Å; F60-I83 HydrophobicContact CD2-CB 3.94Å; F60-I83 HydrophobicContact CD2-CG2 4.22Å; F60-I83 HydrophobicContact CE2-CB 3.84Å; F60-I83 HydrophobicContact CE2-CG2 3.68Å; F60-I83 HydrophobicContact CZ-CB 4.43Å; F60-I83 HydrophobicContact CZ-CG2 4.3Å
61D88.9Confident92.3Very high62 Ų6275.6 Ų75.633%0.33237%0.37SS..SBendtrans-117.9-22-176.867-14000113.1Y50 S63 N85Y50-D61 PolarHBondContact OH-O 3.33Å; Y50-D61 VanDerWaalsContact OH-O 3.04Å; D61-S63 WeakPolarHBondContact OD1-CB 3.43Å; D61-S63 PolarHBondContact OD1-N 3.44Å; D61-S63 PolarHBondContact OD1-OG 3.33Å; D61-S63 PolarHBondContact OD2-OG 3.04Å; D61-N85 PolarHBondContact OD2-ND2 2.91Å; D61-N85 PolarHBondContact OD2-OD1 3.39Å
62G87Confident92.7Very high21 Ų2166.5 Ų66.522%0.21634%0.336CS..SBendtrans114.1-1.9178.300000114Y50 K65Y50-G62 WeakPolarHBondContact OH-CA 3.13Å; Y50-G62 PolarHBondContact OH-N 3.45Å; Y50-G62 VanDerWaalsContact OH-N 3.12Å; G62-K65 WeakPolarHBondContact O-CE 3.33Å
63S90.2Very high93.1Very high70 Ų7063.7 Ų63.749%0.4932%0.321SS..SBendtrans-65.4-46.3174.857.30000112.2D61D61-S63 WeakPolarHBondContact OD1-CB 3.43Å; D61-S63 PolarHBondContact OD1-N 3.44Å; D61-S63 PolarHBondContact OD1-OG 3.33Å; D61-S63 PolarHBondContact OD2-OG 3.04Å
64H93.1Very high93.6Very high56 Ų5657 Ų5726%0.25929%0.29SS..SBendtrans-123.6130179.2-62.1-66.6000110.2F66 F75H64-F66 HydrophobicContact CB-CE2 3.81Å; H64-F66 HydrophobicContact CB-CZ 4.33Å; H64-F75 HydrophobicContact CB-CD1 4.44Å; H64-F75 HydrophobicContact CB-CE1 4.04Å; H64-F75 AromaticContact CD2-CE1 3.53Å; H64-F75 AromaticContact CD2-CZ 3.83Å; H64-F75 AromaticContact CE1-CZ 3.61Å; H64-F75 AromaticContact CG-CE1 3.57Å; H64-F75 AromaticContact CG-CZ 3.78Å; H64-F75 AromaticContact ND1-CE1 3.94Å; H64-F75 AromaticContact ND1-CZ 3.64Å; H64-F75 AromaticContact NE2-CE1 3.86Å; H64-F75 AromaticContact NE2-CZ 3.7Å
65K94.9Very high94.1Very high92 Ų9252.1 Ų52.140%0.427%0.266SS..  trans-133.6133.7-173.5-60.9175.3-166.3160.50110.6Y50 Q57 Y58 G62Y50-K65 HydrophobicContact CD2-CD 4.47Å; Y50-K65 HydrophobicContact CD2-CG 4.36Å; Y50-K65 HydrophobicContact CG-CD 4.11Å; Y50-K65 HydrophobicContact CG-CG 4.49Å; Q57-K65 HydrophobicContact CB-CB 3.93Å; Y58-K65 WeakPolarHBondContact O-CA 3.38Å; G62-K65 WeakPolarHBondContact O-CE 3.33Å
66F96.5Very high94.4Very high48 Ų4850.8 Ų50.821%0.21125%0.251CS..BIsolated β-bridgetrans-134155.9-176.8-58.4-93.2000112.2Q57 Y58 H64 T68 D71 L72 F75Q57-F66 CarbonylContact C-O 3.42Å; Q57-F66 WeakPolarHBondContact CA-O 3.44Å; Y58-F66 PolarHBondContact N-O 3.27Å; Y58-F66 PolarHBondContact O-N 3.42Å; H64-F66 HydrophobicContact CB-CE2 3.81Å; H64-F66 HydrophobicContact CB-CZ 4.33Å; F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 PolarHBondContact O-N 3.16Å; F66-D71 HydrophobicContact CB-CB 3.81Å; F66-D71 HydrophobicContact CD1-CB 4.03Å; F66-D71 HydrophobicContact CG-CB 4.15Å; F66-L72 HydrophobicContact CB-CB 4.21Å; F66-L72 HydrophobicContact CD2-CB 3.72Å; F66-L72 HydrophobicContact CD2-CD1 3.58Å; F66-L72 HydrophobicContact CD2-CG 4.27Å; F66-L72 HydrophobicContact CE2-CB 4.5Å; F66-L72 HydrophobicContact CE2-CD1 3.82Å; F66-L72 HydrophobicContact CG-CB 4.24Å; F66-F75 HydrophobicContact CE1-CB 3.87Å; F66-F75 HydrophobicContact CE1-CD2 4.24Å; F66-F75 HydrophobicContact CE1-CG 4.13Å; F66-F75 HydrophobicContact CE2-CB 3.85Å; F66-F75 AromaticContact CE2-CD1 3.97Å; F66-F75 HydrophobicContact CE2-CD1 3.97Å; F66-F75 AromaticContact CE2-CG 3.89Å; F66-F75 HydrophobicContact CE2-CG 3.89Å; F66-F75 HydrophobicContact CZ-CB 3.34Å; F66-F75 AromaticContact CZ-CD1 3.78Å; F66-F75 HydrophobicContact CZ-CD1 3.78Å; F66-F75 AromaticContact CZ-CD2 3.61Å; F66-F75 HydrophobicContact CZ-CD2 3.61Å; F66-F75 HydrophobicContact CZ-CE1 4.48Å; F66-F75 HydrophobicContact CZ-CE2 4.33Å; F66-F75 AromaticContact CZ-CG 3.28Å; F66-F75 HydrophobicContact CZ-CG 3.28Å
67K94.4Very high94.6Very high148 Ų14850 Ų5064%0.64325%0.246SC*.SBendtrans-66-29.2-179.9-68.5-175.3179-179.80112.6Y58Y58-K67 WeakPolarHBondContact CD2-O 3.41Å; Y58-K67 WeakPolarHBondContact CE2-O 3.41Å
68T95.1Very high94.6Very high58 Ų5854.2 Ų54.236%0.35627%0.27SS..SBendtrans-127.8156.2177.378.40000112.1F66 Y70 D71 L72F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 PolarHBondContact O-N 3.16Å; T68-Y70 PolarHBondContact O-N 3.39Å; T68-Y70 PolarHBondContact OG1-N 3.25Å; T68-D71 WeakPolarHBondContact CB-OD2 3.4Å; T68-D71 PolarHBondContact N-OD2 3.01Å; T68-D71 PolarHBondContact O-N 3.04Å; T68-D71 PolarHBondContact OG1-N 3.09Å; T68-D71 PolarHBondContact OG1-OD2 2.71Å; T68-L72 PolarHBondContact O-N 3.49Å
69V94.9Very high94.6Very high21 Ų2154.7 Ų54.713%0.12728%0.279CS..Hα-helixtrans-64.6-30172-178.80000111.1V18 F32 V47 Y58 V73V18-V69 HydrophobicContact CG1-CG1 4.02Å; F32-V69 HydrophobicContact CD2-CG2 4.01Å; F32-V69 HydrophobicContact CE2-CG2 4.43Å; F32-V69 HydrophobicContact CG-CG2 4.4Å; V47-V69 HydrophobicContact CG1-CG2 4.19Å; V47-V69 HydrophobicContact CG2-CG1 4.43Å; Y58-V69 HydrophobicContact CD1-CG2 3.77Å; Y58-V69 HydrophobicContact CD2-CG2 4.29Å; Y58-V69 HydrophobicContact CE1-CG2 4.18Å; Y58-V69 HydrophobicContact CG-CG2 3.83Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.32Å; V69-V73 WeakPolarHBondContact O-CG2 3.4Å; V69-V73 PolarHBondContact O-N 2.96Å
70Y95.7Very high94.6Very high155 Ų15556.4 Ų56.461%0.60830%0.296SS*.Hα-helixtrans-62-51175.6176.7-96000110.8T68 L72 V73 Q74T68-Y70 PolarHBondContact O-N 3.39Å; T68-Y70 PolarHBondContact OG1-N 3.25Å; Y70-L72 VanDerWaalsContact C-N 3.32Å; Y70-L72 PolarHBondContact O-N 3.47Å; Y70-V73 PolarHBondContact O-N 3.18Å; Y70-V73 VanDerWaalsContact O-N 3.17Å; Y70-Q74 HydrophobicContact CD1-CG 4.07Å; Y70-Q74 HydrophobicContact CD2-CG 4.42Å; Y70-Q74 HydrophobicContact CE1-CG 3.69Å; Y70-Q74 HydrophobicContact CE2-CG 4.07Å; Y70-Q74 HydrophobicContact CG-CG 4.42Å; Y70-Q74 WeakPolarHBondContact O-CG 3.44Å; Y70-Q74 PolarHBondContact O-N 3.48Å
71D96.4Very high94.6Very high62 Ų6260.6 Ų60.633%0.33232%0.315SS..Hα-helixtrans-62.4-40.2179.6-56.4-37.5000111.8F66 T68 V73 Q74 F75F66-D71 HydrophobicContact CB-CB 3.81Å; F66-D71 HydrophobicContact CD1-CB 4.03Å; F66-D71 HydrophobicContact CG-CB 4.15Å; T68-D71 WeakPolarHBondContact CB-OD2 3.4Å; T68-D71 PolarHBondContact N-OD2 3.01Å; T68-D71 PolarHBondContact O-N 3.04Å; T68-D71 PolarHBondContact OG1-N 3.09Å; T68-D71 PolarHBondContact OG1-OD2 2.71Å; D71-V73 PolarHBondContact O-N 3.38Å; D71-Q74 PolarHBondContact O-N 3.47Å; D71-F75 WeakPolarHBondContact O-CB 3.33Å; D71-F75 PolarHBondContact O-N 3.42Å
72L97.2Very high94.9Very high0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-56.6-50.1173.5172.668.4000111.5V47 F60 F66 T68 Y70 F75 Y76V47-L72 HydrophobicContact CG1-CD2 3.9Å; F60-L72 HydrophobicContact CD2-CD1 4.39Å; F60-L72 HydrophobicContact CE1-CD2 4.42Å; F60-L72 HydrophobicContact CE2-CD1 4.27Å; F60-L72 HydrophobicContact CE2-CD2 4.27Å; F60-L72 HydrophobicContact CE2-CG 4.22Å; F60-L72 HydrophobicContact CZ-CD2 4.17Å; F60-L72 HydrophobicContact CZ-CG 4.44Å; F66-L72 HydrophobicContact CB-CB 4.21Å; F66-L72 HydrophobicContact CD2-CB 3.72Å; F66-L72 HydrophobicContact CD2-CD1 3.58Å; F66-L72 HydrophobicContact CD2-CG 4.27Å; F66-L72 HydrophobicContact CE2-CB 4.5Å; F66-L72 HydrophobicContact CE2-CD1 3.82Å; F66-L72 HydrophobicContact CG-CB 4.24Å; T68-L72 PolarHBondContact O-N 3.49Å; Y70-L72 VanDerWaalsContact C-N 3.32Å; Y70-L72 PolarHBondContact O-N 3.47Å; L72-F75 PolarHBondContact O-N 2.73Å; L72-Y76 HydrophobicContact CD1-CD2 4.01Å; L72-Y76 HydrophobicContact CD1-CE2 3.64Å; L72-Y76 WeakPolarHBondContact O-CD2 3.22Å; L72-Y76 PolarHBondContact O-N 3.17Å
73V96.5Very high95.2Very high9 Ų959.3 Ų59.36%0.05531%0.306CS..Hα-helixtrans-65.2-45.9-179.7166.70000110.9F16 V18 V34 V69 Y70 D71 F75 Y76 V77 L91F16-V73 HydrophobicContact CD2-CG1 4.47Å; F16-V73 HydrophobicContact CE2-CG1 3.43Å; F16-V73 VanDerWaalsContact CE2-CG1 3.43Å; F16-V73 HydrophobicContact CZ-CG1 3.69Å; V18-V73 HydrophobicContact CG2-CG2 3.9Å; V34-V73 HydrophobicContact CG2-CG2 4.38Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.32Å; V69-V73 WeakPolarHBondContact O-CG2 3.4Å; V69-V73 PolarHBondContact O-N 2.96Å; Y70-V73 PolarHBondContact O-N 3.18Å; Y70-V73 VanDerWaalsContact O-N 3.17Å; D71-V73 PolarHBondContact O-N 3.38Å; V73-F75 VanDerWaalsContact C-N 3.28Å; V73-F75 PolarHBondContact O-N 3.14Å; V73-Y76 PolarHBondContact O-N 3.01Å; V73-Y76 VanDerWaalsContact O-N 3.15Å; V73-V77 HydrophobicContact CG1-CG2 4.14Å; V73-V77 WeakPolarHBondContact O-CG2 3.23Å; V73-V77 PolarHBondContact O-N 3.19Å; V73-L91 HydrophobicContact CG1-CD1 4.24Å
74Q96.3Very high95.3Very high64 Ų6458.9 Ų58.930%0.29930%0.298SS..Hα-helixtrans-59.3-38.5178.9-72.5-62.3-4500112Y70 D71 Y76 V77 N78Y70-Q74 HydrophobicContact CD1-CG 4.07Å; Y70-Q74 HydrophobicContact CD2-CG 4.42Å; Y70-Q74 HydrophobicContact CE1-CG 3.69Å; Y70-Q74 HydrophobicContact CE2-CG 4.07Å; Y70-Q74 HydrophobicContact CG-CG 4.42Å; Y70-Q74 WeakPolarHBondContact O-CG 3.44Å; Y70-Q74 PolarHBondContact O-N 3.48Å; D71-Q74 PolarHBondContact O-N 3.47Å; Q74-Y76 PolarHBondContact O-N 3.33Å; Q74-V77 PolarHBondContact O-N 3.32Å; Q74-N78 VanDerWaalsContact O-CB 3.26Å; Q74-N78 WeakPolarHBondContact O-CB 3.41Å; Q74-N78 PolarHBondContact O-N 3.35Å; Q74-N78 PolarHBondContact O-ND2 3.12Å
75F97.1Very high94.9Very high48 Ų4861.2 Ų61.221%0.21131%0.312CS..Hα-helixtrans-58.4-48.8174170.1-96.2000112.4H64 F66 D71 L72 V73 N78 T79 K81H64-F75 HydrophobicContact CB-CD1 4.44Å; H64-F75 HydrophobicContact CB-CE1 4.04Å; H64-F75 AromaticContact CD2-CE1 3.53Å; H64-F75 AromaticContact CD2-CZ 3.83Å; H64-F75 AromaticContact CE1-CZ 3.61Å; H64-F75 AromaticContact CG-CE1 3.57Å; H64-F75 AromaticContact CG-CZ 3.78Å; H64-F75 AromaticContact ND1-CE1 3.94Å; H64-F75 AromaticContact ND1-CZ 3.64Å; H64-F75 AromaticContact NE2-CE1 3.86Å; H64-F75 AromaticContact NE2-CZ 3.7Å; F66-F75 HydrophobicContact CE1-CB 3.87Å; F66-F75 HydrophobicContact CE1-CD2 4.24Å; F66-F75 HydrophobicContact CE1-CG 4.13Å; F66-F75 HydrophobicContact CE2-CB 3.85Å; F66-F75 AromaticContact CE2-CD1 3.97Å; F66-F75 HydrophobicContact CE2-CD1 3.97Å; F66-F75 AromaticContact CE2-CG 3.89Å; F66-F75 HydrophobicContact CE2-CG 3.89Å; F66-F75 HydrophobicContact CZ-CB 3.34Å; F66-F75 AromaticContact CZ-CD1 3.78Å; F66-F75 HydrophobicContact CZ-CD1 3.78Å; F66-F75 AromaticContact CZ-CD2 3.61Å; F66-F75 HydrophobicContact CZ-CD2 3.61Å; F66-F75 HydrophobicContact CZ-CE1 4.48Å; F66-F75 HydrophobicContact CZ-CE2 4.33Å; F66-F75 AromaticContact CZ-CG 3.28Å; F66-F75 HydrophobicContact CZ-CG 3.28Å; D71-F75 WeakPolarHBondContact O-CB 3.33Å; D71-F75 PolarHBondContact O-N 3.42Å; L72-F75 PolarHBondContact O-N 2.73Å; V73-F75 VanDerWaalsContact C-N 3.28Å; V73-F75 PolarHBondContact O-N 3.14Å; F75-N78 PolarHBondContact O-N 3.19Å; F75-T79 HydrophobicContact CD2-CG2 3.97Å; F75-T79 HydrophobicContact CE2-CG2 3.75Å; F75-T79 HydrophobicContact CZ-CG2 4.1Å; F75-T79 WeakPolarHBondContact O-CB 3.32Å; F75-T79 VanDerWaalsContact O-CG2 3.27Å; F75-T79 WeakPolarHBondContact O-CG2 3.41Å; F75-T79 PolarHBondContact O-N 2.97Å; F75-T79 PolarHBondContact O-OG1 2.93Å; F75-K81 HydrophobicContact CE1-CD 4.3Å; F75-K81 HydrophobicContact CZ-CD 4.19Å
76Y96.9Very high94.5Very high6 Ų665.2 Ų65.22%0.02434%0.338CS..Hα-helixtrans-69.9-35.4-179.5-80-77000112.7F60 L72 V73 Q74 G80 K81 P82 I83F60-Y76 HydrophobicContact CD2-CD2 4.08Å; F60-Y76 AromaticContact CD2-CE2 3.54Å; F60-Y76 HydrophobicContact CD2-CE2 3.54Å; F60-Y76 AromaticContact CD2-CZ 3.93Å; F60-Y76 AromaticContact CE2-CD2 3.6Å; F60-Y76 HydrophobicContact CE2-CD2 3.6Å; F60-Y76 AromaticContact CE2-CE2 3.57Å; F60-Y76 HydrophobicContact CE2-CE2 3.57Å; F60-Y76 HydrophobicContact CE2-CG 4.35Å; L72-Y76 HydrophobicContact CD1-CD2 4.01Å; L72-Y76 HydrophobicContact CD1-CE2 3.64Å; L72-Y76 WeakPolarHBondContact O-CD2 3.22Å; L72-Y76 PolarHBondContact O-N 3.17Å; V73-Y76 PolarHBondContact O-N 3.01Å; V73-Y76 VanDerWaalsContact O-N 3.15Å; Q74-Y76 PolarHBondContact O-N 3.33Å; Y76-G80 PolarHBondContact O-N 3.37Å; Y76-K81 HydrophobicContact CD1-CB 3.97Å; Y76-K81 WeakPolarHBondContact CD1-O 3.31Å; Y76-K81 HydrophobicContact CE1-CB 4.11Å; Y76-P82 VanDerWaalsContact CE1-O 3.28Å; Y76-P82 WeakPolarHBondContact CE1-O 3.01Å; Y76-I83 HydrophobicContact CD1-CG2 3.7Å; Y76-I83 HydrophobicContact CD2-CG2 4.26Å; Y76-I83 HydrophobicContact CE1-CG2 4.19Å; Y76-I83 HydrophobicContact CG-CG2 3.73Å
77V96.1Very high94.3Very high36 Ų3665.3 Ų65.322%0.21834%0.342CS..Hα-helixtrans-63.1-47.3173.2172.70000111.1F16 V73 Q74 L91F16-V77 HydrophobicContact CE1-CG2 3.64Å; F16-V77 HydrophobicContact CZ-CG2 3.55Å; V73-V77 HydrophobicContact CG1-CG2 4.14Å; V73-V77 WeakPolarHBondContact O-CG2 3.23Å; V73-V77 PolarHBondContact O-N 3.19Å; Q74-V77 PolarHBondContact O-N 3.32Å; V77-L91 WeakPolarHBondContact CA-O 3.35Å; V77-L91 HydrophobicContact CG2-CB 3.79Å
78N95.9Very high94.2Very high123 Ų12363.9 Ų63.966%0.65834%0.342SS*.Hα-helixtrans-74.2-30.8-175.6-67.1-18.4000113.2Q74 F75Q74-N78 VanDerWaalsContact O-CB 3.26Å; Q74-N78 WeakPolarHBondContact O-CB 3.41Å; Q74-N78 PolarHBondContact O-N 3.35Å; Q74-N78 PolarHBondContact O-ND2 3.12Å; F75-N78 PolarHBondContact O-N 3.19Å
79T95.5Very high94.3Very high65 Ų6561.4 Ų61.440%0.39933%0.327SS..Hα-helixtrans-91.3-16.2-178.2590000113.7F75 K81F75-T79 HydrophobicContact CD2-CG2 3.97Å; F75-T79 HydrophobicContact CE2-CG2 3.75Å; F75-T79 HydrophobicContact CZ-CG2 4.1Å; F75-T79 WeakPolarHBondContact O-CB 3.32Å; F75-T79 VanDerWaalsContact O-CG2 3.27Å; F75-T79 WeakPolarHBondContact O-CG2 3.41Å; F75-T79 PolarHBondContact O-N 2.97Å; F75-T79 PolarHBondContact O-OG1 2.93Å; T79-K81 PolarHBondContact O-N 3.3Å; T79-K81 VanDerWaalsContact O-N 3.13Å
80G93.9Very high94.3Very high36 Ų3661 Ų6137%0.37132%0.324SS..  trans63.911.8-174.200000114.2Y76 T90Y76-G80 PolarHBondContact O-N 3.37Å; G80-T90 VanDerWaalsContact O-CG2 3.23Å; G80-T90 WeakPolarHBondContact O-CG2 3.48Å; G80-T90 PolarHBondContact O-OG1 2.88Å
81K94.5Very high94.4Very high92 Ų9253.6 Ų53.640%0.430%0.295SS..  trans-68.4145.9179.5-73.9-175.9177.9-168.30110.8F75 Y76 T79F75-K81 HydrophobicContact CE1-CD 4.3Å; F75-K81 HydrophobicContact CZ-CD 4.19Å; Y76-K81 HydrophobicContact CD1-CB 3.97Å; Y76-K81 WeakPolarHBondContact CD1-O 3.31Å; Y76-K81 HydrophobicContact CE1-CB 4.11Å; T79-K81 PolarHBondContact O-N 3.3Å; T79-K81 VanDerWaalsContact O-N 3.13Å
82P95.4Very high94.3Very high53 Ų5354.7 Ų54.734%0.34430%0.301SS..BIsolated β-bridgetrans-64.3142.3171.2-22.333.6000112.3Y76 T87 V89Y76-P82 VanDerWaalsContact CE1-O 3.28Å; Y76-P82 WeakPolarHBondContact CE1-O 3.01Å; P82-T87 WeakPolarHBondContact CB-O 3.35Å; P82-T87 WeakPolarHBondContact CG-O 3.47Å; P82-V89 CarbonylContact C-O 3.39Å; P82-V89 VanDerWaalsContact CA-O 3.26Å; P82-V89 WeakPolarHBondContact CA-O 3.3Å
83I93.7Very high94.2Very high4 Ų458.6 Ų58.62%0.02132%0.32CS..SBendtrans-86.4-10.9177.963.8168000113.7V36 V45 F60 Y76 V89 L91V36-I83 HydrophobicContact CG1-CD1 3.87Å; V45-I83 HydrophobicContact CB-CD1 4.03Å; V45-I83 HydrophobicContact CG2-CD1 3.47Å; V45-I83 VanDerWaalsContact CG2-CD1 3.47Å; V45-I83 HydrophobicContact CG2-CG1 4.17Å; F60-I83 HydrophobicContact CD2-CB 3.94Å; F60-I83 HydrophobicContact CD2-CG2 4.22Å; F60-I83 HydrophobicContact CE2-CB 3.84Å; F60-I83 HydrophobicContact CE2-CG2 3.68Å; F60-I83 HydrophobicContact CZ-CB 4.43Å; F60-I83 HydrophobicContact CZ-CG2 4.3Å; Y76-I83 HydrophobicContact CD1-CG2 3.7Å; Y76-I83 HydrophobicContact CD2-CG2 4.26Å; Y76-I83 HydrophobicContact CE1-CG2 4.19Å; Y76-I83 HydrophobicContact CG-CG2 3.73Å; I83-V89 HydrophobicContact CD1-CG1 4.18Å; I83-V89 HydrophobicContact CG1-CB 4.42Å; I83-V89 HydrophobicContact CG1-CG1 3.95Å; I83-V89 WeakPolarHBondContact CG1-O 3.5Å; I83-V89 PolarHBondContact N-O 2.98Å; I83-L91 HydrophobicContact CD1-CD2 4.05Å; I83-L91 HydrophobicContact CG2-CD1 4.02Å; I83-L91 HydrophobicContact CG2-CD2 4.26Å; I83-L91 HydrophobicContact CG2-CG 3.74Å
84L90.4Very high94.1Very high60 Ų6060.5 Ų60.531%0.31433%0.333SS..SBendtrans-125.2132.4178.3-72.7171.5000108.5V45 T87 V89V45-L84 HydrophobicContact CG1-CD2 3.99Å; V45-L84 HydrophobicContact CG2-CD1 3.89Å; V45-L84 HydrophobicContact CG2-CD2 3.89Å; V45-L84 HydrophobicContact CG2-CG 3.83Å; L84-T87 HydrophobicContact CB-CG2 3.96Å; L84-T87 VanDerWaalsContact CB-OG1 3.3Å; L84-T87 WeakPolarHBondContact CB-OG1 3.38Å; L84-T87 PolarHBondContact O-N 2.84Å; L84-T87 PolarHBondContact O-OG1 2.95Å; L84-V89 HydrophobicContact CD1-CG2 4.39Å
85N86.2Confident93.9Very high106 Ų10659.3 Ų59.357%0.56733%0.329SS*.THydrogen-bonded Turntrans-60.8142.9176.9-63-21.7000110.4D61 T87D61-N85 PolarHBondContact OD2-ND2 2.91Å; D61-N85 PolarHBondContact OD2-OD1 3.39Å; N85-T87 PolarHBondContact O-N 3.17Å
86D86.8Confident93.3Very high175 Ų17565.8 Ų65.894%0.93635%0.353SS*.THydrogen-bonded Turntrans58.131.5-179.7-48.4-43.8000114.1
87T91.1Very high92.7Very high50 Ų5071 Ų7131%0.30737%0.373SS..SBendtrans-138.6165.7173.276.40000111P82 L84 N85 V89P82-T87 WeakPolarHBondContact CB-O 3.35Å; P82-T87 WeakPolarHBondContact CG-O 3.47Å; L84-T87 HydrophobicContact CB-CG2 3.96Å; L84-T87 VanDerWaalsContact CB-OG1 3.3Å; L84-T87 WeakPolarHBondContact CB-OG1 3.38Å; L84-T87 PolarHBondContact O-N 2.84Å; L84-T87 PolarHBondContact O-OG1 2.95Å; N85-T87 PolarHBondContact O-N 3.17Å; T87-V89 PolarHBondContact OG1-N 3.3Å
88D93.7Very high92.2Very high118 Ų11870.5 Ų70.563%0.63137%0.372SS*.  trans-95.112.4171.1-60.3-44000112.9W38 T90W38-D88 WeakPolarHBondContact CH2-O 3.44Å; W38-D88 HydrophobicContact CZ2-CB 4.02Å; W38-D88 WeakPolarHBondContact CZ2-O 3.33Å; W38-D88 PolarHBondContact NE1-O 3.34Å; D88-T90 PolarHBondContact O-N 2.65Å; D88-T90 PolarHBondContact O-OG1 3.27Å
89V95.6Very high91.8Very high7 Ų771.6 Ų71.64%0.04238%0.378CS..  trans-67.5100.7-172.3-179.40000110.3V36 W38 N43 P82 I83 L84 T87V36-V89 HydrophobicContact CG1-CG1 3.34Å; V36-V89 HydrophobicContact CG2-CG1 4.44Å; W38-V89 HydrophobicContact CB-CB 4.47Å; W38-V89 HydrophobicContact CB-CG1 4.22Å; W38-V89 HydrophobicContact CB-CG2 4.07Å; W38-V89 HydrophobicContact CG-CB 4.44Å; W38-V89 HydrophobicContact CG-CG2 4.12Å; N43-V89 HydrophobicContact CB-CG1 4.31Å; P82-V89 CarbonylContact C-O 3.39Å; P82-V89 VanDerWaalsContact CA-O 3.26Å; P82-V89 WeakPolarHBondContact CA-O 3.3Å; I83-V89 HydrophobicContact CD1-CG1 4.18Å; I83-V89 HydrophobicContact CG1-CB 4.42Å; I83-V89 HydrophobicContact CG1-CG1 3.95Å; I83-V89 WeakPolarHBondContact CG1-O 3.5Å; I83-V89 PolarHBondContact N-O 2.98Å; L84-V89 HydrophobicContact CD1-CG2 4.39Å; T87-V89 PolarHBondContact OG1-N 3.3Å
90T96.1Very high91.5Very high11 Ų1171.1 Ų71.17%0.06737%0.369CS..BIsolated β-bridgetrans-114.6148-175.4-65.10000111.9G14 W38 G80 D88 L92G14-T90 WeakPolarHBondContact CA-O 3.4Å; W38-T90 WeakPolarHBondContact CZ3-O 3.47Å; G80-T90 VanDerWaalsContact O-CG2 3.23Å; G80-T90 WeakPolarHBondContact O-CG2 3.48Å; G80-T90 PolarHBondContact O-OG1 2.88Å; D88-T90 PolarHBondContact O-N 2.65Å; D88-T90 PolarHBondContact O-OG1 3.27Å; T90-L92 HydrophobicContact CG2-CD2 3.63Å; T90-L92 HydrophobicContact CG2-CG 4.21Å
91L96.7Very high91.4Very high0 Ų069.9 Ų69.90%035%0.354CS..  trans-87.9117.3173.1-55-173.8000109.3F16 V34 V36 V73 V77 I83F16-L91 HydrophobicContact CB-CD2 3.68Å; F16-L91 HydrophobicContact CD1-CB 3.77Å; F16-L91 HydrophobicContact CD1-CD2 4.11Å; F16-L91 HydrophobicContact CD1-CG 4.42Å; F16-L91 HydrophobicContact CD2-CD1 4.35Å; F16-L91 HydrophobicContact CD2-CD2 4.22Å; F16-L91 HydrophobicContact CE1-CB 3.89Å; F16-L91 HydrophobicContact CE2-CD1 4.45Å; F16-L91 HydrophobicContact CG-CB 4.22Å; F16-L91 HydrophobicContact CG-CD2 3.74Å; F16-L91 HydrophobicContact CG-CG 4.38Å; F16-L91 HydrophobicContact CZ-CB 4.45Å; V34-L91 HydrophobicContact CG1-CD1 4.31Å; V34-L91 HydrophobicContact CG1-CD2 3.81Å; V36-L91 HydrophobicContact CB-CD2 3.96Å; V36-L91 HydrophobicContact CG1-CD2 4.34Å; V36-L91 HydrophobicContact CG2-CD2 4Å; V73-L91 HydrophobicContact CG1-CD1 4.24Å; V77-L91 WeakPolarHBondContact CA-O 3.35Å; V77-L91 HydrophobicContact CG2-CB 3.79Å; I83-L91 HydrophobicContact CD1-CD2 4.05Å; I83-L91 HydrophobicContact CG2-CD1 4.02Å; I83-L91 HydrophobicContact CG2-CD2 4.26Å; I83-L91 HydrophobicContact CG2-CG 3.74Å
92L95.5Very high91.3Very high86 Ų8665.7 Ų65.745%0.4534%0.336SS..  trans-119.4-51.8-177.3-58.3178.4000111.8G14 W38 T90G14-L92 PolarHBondContact O-N 3.18Å; W38-L92 HydrophobicContact CH2-CD1 4.17Å; W38-L92 HydrophobicContact CZ3-CD1 3.81Å; W38-L92 HydrophobicContact CZ3-CG 4.23Å; T90-L92 HydrophobicContact CG2-CD2 3.63Å; T90-L92 HydrophobicContact CG2-CG 4.21Å
93I94.4Very high91.1Very high81 Ų8166.8 Ų66.842%0.41533%0.334SS..EExtended strand (participates in β ladder)trans-120.7114.5-169.1-56.1169.3000109.2H12 G14 E15 F16 L95H12-I93 HydrophobicContact CB-CD1 4.49Å; G14-I93 PolarHBondContact O-N 3.07Å; E15-I93 CarbonylContact C-O 3.6Å; E15-I93 VanDerWaalsContact CA-O 3.24Å; E15-I93 WeakPolarHBondContact CA-O 3.35Å; E15-I93 HydrophobicContact CB-CB 4.4Å; E15-I93 HydrophobicContact CG-CB 4.48Å; E15-I93 HydrophobicContact CG-CG2 4.47Å; F16-I93 WeakPolarHBondContact CD1-O 3.27Å; F16-I93 PolarHBondContact N-O 3.22Å; I93-L95 PolarHBondContact O-N 2.78Å
94P94.5Very high91.1Very high49 Ų4969.1 Ų69.132%0.31835%0.346SS..EExtended strand (participates in β ladder)trans-71.1124.8175.928-32.4000110.6F16 Y96F16-P94 HydrophobicContact CE1-CB 4.06Å; F16-P94 HydrophobicContact CE2-CB 4.45Å; F16-P94 HydrophobicContact CZ-CB 3.81Å; P94-Y96 HydrophobicContact CB-CE2 4.48Å; P94-Y96 HydrophobicContact CG-CE2 3.9Å; P94-Y96 WeakPolarHBondContact O-CD2 3.33Å; P94-Y96 PolarHBondContact O-N 2.76Å
95L91.5Very high91.3Very high40 Ų4075.5 Ų75.521%0.20937%0.366CS..  trans-76110.5168.1179.468.2000108.9M9 L10 E15 F16 A17 I93M9-L95 HydrophobicContact CB-CD2 3.7Å; M9-L95 HydrophobicContact CE-CD2 3.91Å; M9-L95 HydrophobicContact CE-CG 4.49Å; L10-L95 HydrophobicContact CD2-CB 4.19Å; L10-L95 HydrophobicContact CD2-CD2 3.9Å; E15-L95 HydrophobicContact CG-CB 4.24Å; E15-L95 WeakPolarHBondContact OE1-CD1 3.37Å; F16-L95 WeakPolarHBondContact O-CB 3.49Å; F16-L95 PolarHBondContact O-N 3.36Å; A17-L95 HydrophobicContact CB-CB 4.27Å; A17-L95 HydrophobicContact CB-CD2 4.19Å; I93-L95 PolarHBondContact O-N 2.78Å
96Y85.9Confident91.7Very high183 Ų18371.9 Ų71.972%0.71835%0.346SS*.PPolyproline II helixtrans-73.6154.4174.2-65-82000111.4P94 A98P94-Y96 HydrophobicContact CB-CE2 4.48Å; P94-Y96 HydrophobicContact CG-CE2 3.9Å; P94-Y96 WeakPolarHBondContact O-CD2 3.33Å; P94-Y96 PolarHBondContact O-N 2.76Å; Y96-A98 PolarHBondContact O-N 3.38Å
97R83.5Confident92.1Very high116 Ų11664 Ų6444%0.43830%0.304SS..PPolyproline II helixtrans-64.4123.4178.2-178.4-178.4-61.3-160.46.4109.4V101 Y103R97-V101 VanDerWaalsContact CD-O 3.25Å; R97-V101 WeakPolarHBondContact CD-O 3.23Å; R97-V101 HydrophobicContact CG-CB 3.55Å; R97-V101 HydrophobicContact CG-CG1 3.78Å; R97-V101 HydrophobicContact CG-CG2 4.3Å; R97-Y103 VanDerWaalsContact NH2-CE1 3.27Å; R97-Y103 PolarHBondContact NH2-OH 3.34Å
98A85.2Confident92.4Very high25 Ų2566 Ų6621%0.20731%0.31CS..PPolyproline II helixtrans-65.9151.3175.300000112.4M9 Y96 W100 V101M9-A98 HydrophobicContact CE-CB 4.12Å; Y96-A98 PolarHBondContact O-N 3.38Å; A98-W100 HydrophobicContact CB-CD2 4.31Å; A98-W100 HydrophobicContact CB-CG 4.39Å; A98-W100 HydrophobicContact CB-CZ2 3.85Å; A98-W100 PolarHBondContact O-N 2.8Å; A98-W100 VanDerWaalsContact O-N 3.14Å; A98-V101 HydrophobicContact CB-CG2 4.41Å; A98-V101 WeakPolarHBondContact O-CB 3.3Å; A98-V101 PolarHBondContact O-N 3.41Å
99D87.3Confident92.4Very high146 Ų14664.2 Ų64.278%0.78131%0.306SS*.THydrogen-bonded Turntrans-61.5-26.5-172.9-59.6-28.7000114.5V101D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 3.19Å
100W90.1Very high92.3Very high56 Ų5666.8 Ų66.821%0.21232%0.321CS..THydrogen-bonded Turntrans-78.4-7175.456-96000113M1 M9 A98 L102 R171 F181 G183 I184M1-W100 HydrophobicContact CE-CH2 3.72Å; M1-W100 HydrophobicContact CE-CZ3 4.3Å; M1-W100 HydrophobicContact SD-CH2 4.41Å; M9-W100 HydrophobicContact CE-CZ2 4.01Å; M9-W100 HydrophobicContact SD-CH2 4.03Å; M9-W100 HydrophobicContact SD-CZ2 3.83Å; A98-W100 HydrophobicContact CB-CD2 4.31Å; A98-W100 HydrophobicContact CB-CG 4.39Å; A98-W100 HydrophobicContact CB-CZ2 3.85Å; A98-W100 PolarHBondContact O-N 2.8Å; A98-W100 VanDerWaalsContact O-N 3.14Å; W100-L102 PolarHBondContact O-N 3.25Å; W100-R171 VanDerWaalsContact CE2-NH1 3.33Å; W100-F181 HydrophobicContact CB-CE1 4.14Å; W100-G183 CarbonylContact O-C 3.53Å; W100-G183 WeakPolarHBondContact O-CA 3.49Å; W100-I184 HydrophobicContact CE3-CG2 3.77Å; W100-I184 HydrophobicContact CZ3-CG2 3.73Å; W100-I184 PolarHBondContact O-N 3.28Å
101V90.8Very high92.2Very high10 Ų1071.7 Ų71.76%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-91.994172.6-1750000108.6M1 R97 A98 D99 I184 V186M1-V101 HydrophobicContact CE-CG1 4.44Å; M1-V101 HydrophobicContact CE-CG2 3.54Å; R97-V101 VanDerWaalsContact CD-O 3.25Å; R97-V101 WeakPolarHBondContact CD-O 3.23Å; R97-V101 HydrophobicContact CG-CB 3.55Å; R97-V101 HydrophobicContact CG-CG1 3.78Å; R97-V101 HydrophobicContact CG-CG2 4.3Å; A98-V101 HydrophobicContact CB-CG2 4.41Å; A98-V101 WeakPolarHBondContact O-CB 3.3Å; A98-V101 PolarHBondContact O-N 3.41Å; D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 3.19Å; V101-I184 CarbonylContact C-O 3.39Å; V101-V186 HydrophobicContact CG1-CG2 4.28Å
102L92.8Very high91.8Very high3 Ų375.6 Ų75.62%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-80.1151.1-177.4-58.1172.8000111W100 L134 I182 I184 A185 V194W100-L102 PolarHBondContact O-N 3.25Å; L102-L134 HydrophobicContact CD1-CD1 4.02Å; L102-L134 HydrophobicContact CD1-CD2 4.25Å; L102-L134 HydrophobicContact CD2-CD1 4.22Å; L102-I182 HydrophobicContact CD1-CG2 4.34Å; L102-I184 PolarHBondContact N-O 3.42Å; L102-A185 HydrophobicContact CB-CB 4.45Å; L102-A185 WeakPolarHBondContact O-CA 3.32Å; L102-V194 HydrophobicContact CD1-CB 3.95Å; L102-V194 HydrophobicContact CD1-CG1 4.22Å; L102-V194 HydrophobicContact CD1-CG2 3.66Å
103Y92.3Very high91.2Very high77 Ų7775.2 Ų75.230%0.30236%0.36SS..  trans-84.1139.4165-67.3-90.4000109.8R97 R105 Q106 D187R97-Y103 VanDerWaalsContact NH2-CE1 3.27Å; R97-Y103 PolarHBondContact NH2-OH 3.34Å; Y103-R105 PolarHBondContact O-N 2.75Å; Y103-R105 VanDerWaalsContact O-N 3.1Å; Y103-Q106 VanDerWaalsContact O-CB 3.3Å; Y103-Q106 WeakPolarHBondContact O-CB 3.39Å; Y103-Q106 PolarHBondContact O-N 3.41Å; Y103-D187 WeakPolarHBondContact CA-OD2 3.23Å
104N93.9Very high90.2Very high52 Ų5272.7 Ų72.728%0.27835%0.354SS..G310 helixtrans-56-31.4175.5-178.269.2000113.2Q106 L107 D187 T188 K192N104-Q106 PolarHBondContact O-N 2.95Å; N104-L107 PolarHBondContact O-N 2.68Å; N104-L107 VanDerWaalsContact O-N 3.08Å; N104-D187 WeakPolarHBondContact CB-OD1 3.43Å; N104-D187 PolarHBondContact N-OD1 2.87Å; N104-D187 PolarHBondContact N-OD2 3.23Å; N104-D187 VanDerWaalsContact N-OD2 3.12Å; N104-T188 HydrophobicContact CB-CG2 4.02Å; N104-T188 WeakPolarHBondContact OD1-CG2 3.07Å; N104-K192 WeakPolarHBondContact OD1-CE 3.46Å; N104-K192 PolarHBondContact OD1-NZ 3.04Å
105R94Very high88.7Confident194 Ų19473.8 Ų73.873%0.73237%0.367SS*.G310 helixtrans-64.3-18.9176.574.7-173.1174.1-155.4-1.5114.2Y103 L107Y103-R105 PolarHBondContact O-N 2.75Å; Y103-R105 VanDerWaalsContact O-N 3.1Å; R105-L107 VanDerWaalsContact C-N 3.25Å
106Q95Very high87Confident31 Ų3173.5 Ų73.515%0.14537%0.367CS..G310 helixtrans-80.4-8.7176.1-65.8172.2-6800112.1Y103 N104 L134 V135 R136Y103-Q106 VanDerWaalsContact O-CB 3.3Å; Y103-Q106 WeakPolarHBondContact O-CB 3.39Å; Y103-Q106 PolarHBondContact O-N 3.41Å; N104-Q106 PolarHBondContact O-N 2.95Å; Q106-L134 HydrophobicContact CB-CD1 3.99Å; Q106-L134 WeakPolarHBondContact O-CA 3.41Å; Q106-V135 VanDerWaalsContact CB-O 3.24Å; Q106-V135 WeakPolarHBondContact CB-O 3.48Å; Q106-V135 VanDerWaalsContact CG-O 3.29Å; Q106-V135 WeakPolarHBondContact CG-O 3.43Å; Q106-V135 PolarHBondContact O-N 3.01Å; Q106-R136 PolarHBondContact NE2-O 3.2Å
107L95.4Very high85Confident9 Ų972.2 Ų72.25%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-115.2113.5-172.7-69.3170.7000110.7N104 R105 Y132 L134 V145 A185 K192 V194N104-L107 PolarHBondContact O-N 2.68Å; N104-L107 VanDerWaalsContact O-N 3.08Å; R105-L107 VanDerWaalsContact C-N 3.25Å; L107-Y132 HydrophobicContact CB-CD1 3.72Å; L107-Y132 HydrophobicContact CB-CE1 4.05Å; L107-Y132 HydrophobicContact CD2-CD1 4.44Å; L107-L134 HydrophobicContact CD2-CB 4.21Å; L107-L134 HydrophobicContact CD2-CD1 3.83Å; L107-L134 HydrophobicContact CG-CD1 4.43Å; L107-V145 HydrophobicContact CD2-CG2 4.26Å; L107-A185 HydrophobicContact CD1-CB 3.87Å; L107-K192 HydrophobicContact CD1-CB 4.46Å; L107-K192 HydrophobicContact CD1-CD 3.89Å; L107-V194 HydrophobicContact CD1-CG2 3.81Å; L107-V194 HydrophobicContact CD2-CG1 4.35Å; L107-V194 HydrophobicContact CD2-CG2 4.04Å
108M95.5Very high83Confident91 Ų9167.8 Ų67.845%0.44836%0.358SS..EExtended strand (participates in β ladder)trans-106.5121.9175.4-64.3178.2-7400110.6Y132 R133 V135M108-Y132 CarbonylContact O-C 3.59Å; M108-Y132 VanDerWaalsContact O-CA 3.28Å; M108-Y132 WeakPolarHBondContact O-CA 3.44Å; M108-Y132 VanDerWaalsContact O-CD1 3.25Å; M108-Y132 WeakPolarHBondContact O-CD1 3.46Å; M108-R133 HydrophobicContact CB-CB 4.44Å; M108-R133 HydrophobicContact CE-CB 4.15Å; M108-R133 PolarHBondContact N-O 3.5Å; M108-R133 PolarHBondContact O-N 2.85Å; M108-V135 HydrophobicContact CE-CG2 3.83Å
109P94.4Very high80.8Confident82 Ų8269.8 Ų69.853%0.53236%0.363SS..EExtended strand (participates in β ladder)trans-64.9143.9178.726.4-32.2000111.1W130 Y132P109-W130 HydrophobicContact CB-CE3 4.48Å; P109-Y132 HydrophobicContact CB-CD1 4.42Å; P109-Y132 HydrophobicContact CB-CE1 3.81Å; P109-Y132 HydrophobicContact CB-CE2 4.08Å; P109-Y132 HydrophobicContact CG-CE1 4.34Å; P109-Y132 VanDerWaalsContact N-CE1 3.3Å
110V94.5Very high78.1Confident60 Ų6068 Ų6836%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-114.8-64.8175.7-178.40000110.6E131 R133V110-E131 HydrophobicContact CB-CB 4.15Å; V110-E131 HydrophobicContact CB-CG 3.95Å; V110-E131 WeakPolarHBondContact CB-O 3.33Å; V110-E131 HydrophobicContact CG1-CG 4.28Å; V110-E131 HydrophobicContact CG2-CG 4.27Å; V110-E131 PolarHBondContact N-O 3.48Å; V110-R133 HydrophobicContact CG2-CG 3.78Å
111K92.6Very high75.5Confident114 Ų11471.4 Ų71.450%0.49638%0.38SS..EExtended strand (participates in β ladder)trans-156157-179.463.9175.8177178.40112.2L113 W130 E131K111-L113 HydrophobicContact CG-CD2 4.46Å; K111-W130 VanDerWaalsContact C-CE3 3.4Å; K111-W130 CarbonylContact O-C 3.53Å; K111-W130 WeakPolarHBondContact O-CA 3.37Å; K111-E131 WeakPolarHBondContact CE-OE2 3.49Å; K111-E131 HydrophobicContact CG-CB 3.97Å; K111-E131 PolarHBondContact N-O 3.39Å; K111-E131 IonicContact NZ-OE2 3.82Å; K111-E131 PolarHBondContact O-N 2.94Å
112L88.5Confident72.8Confident83 Ų8374.4 Ų74.444%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-70.6127.9168.6178.265000109.4E128 W130L112-E128 HydrophobicContact CD1-CB 3.54Å; L112-E128 HydrophobicContact CD1-CG 3.83Å; L112-W130 HydrophobicContact CB-CD2 4.27Å; L112-W130 HydrophobicContact CB-CE3 4.48Å; L112-W130 HydrophobicContact CB-CH2 4.37Å; L112-W130 HydrophobicContact CB-CZ2 4.16Å; L112-W130 HydrophobicContact CD1-CD2 4.37Å; L112-W130 HydrophobicContact CD1-CG 4.34Å; L112-W130 HydrophobicContact CD1-CZ2 4.38Å
113L84.1Confident69.9Low77 Ų7782.9 Ų82.940%0.40343%0.432SS..EExtended strand (participates in β ladder)trans-92.2-29175.7-64.4172.6000111.9K111 V129 E131 L197K111-L113 HydrophobicContact CG-CD2 4.46Å; L113-V129 WeakPolarHBondContact CA-O 3.44Å; L113-V129 WeakPolarHBondContact CB-O 3.4Å; L113-V129 HydrophobicContact CD1-CG1 4.22Å; L113-V129 PolarHBondContact N-O 3.41Å; L113-E131 HydrophobicContact CD1-CB 4.08Å; L113-E131 HydrophobicContact CD2-CB 4.02Å; L113-E131 HydrophobicContact CG-CB 4.04Å; L113-L197 HydrophobicContact CD1-CD1 3.48Å; L113-L197 VanDerWaalsContact CD1-CD1 3.48Å
114G72.4Confident67.3Low29 Ų2979.4 Ų79.430%0.29942%0.42SS..EExtended strand (participates in β ladder)trans163.4163.2174.700000112.6V129G114-V129 PolarHBondContact N-O 2.91Å; G114-V129 PolarHBondContact O-N 3.43Å
115A62.3Low65Low71 Ų7180.4 Ų80.459%0.58743%0.425SS*.  trans-81.1131.8167.600000109.2I117A115-I117 PolarHBondContact O-N 3.14Å; A115-I117 VanDerWaalsContact O-N 3.16Å
116V56.5Low63Low35 Ų3573.1 Ų73.121%0.21240%0.398CS..  trans-73.4107.1165.4-170.90000106.5S118 Y126 V129V116-S118 PolarHBondContact O-N 2.98Å; V116-Y126 WeakPolarHBondContact CB-O 3.29Å; V116-V129 HydrophobicContact CG2-CG2 3.52Å
117I43.7Very low61.4Low155 Ų15572 Ų7280%0.79540%0.395SS*.  trans-70.9102.4174.9-58.5174.2000106.9A115A115-I117 PolarHBondContact O-N 3.14Å; A115-I117 VanDerWaalsContact O-N 3.16Å
118S42Very low60.4Low23 Ų2376 Ų7616%0.16141%0.413CS..  trans-81.1151.1171.264.20000111V116 F122 G124 N125V116-S118 PolarHBondContact O-N 2.98Å; S118-F122 PolarHBondContact OG-O 2.7Å; S118-G124 WeakPolarHBondContact CB-O 3.41Å; S118-G124 PolarHBondContact OG-O 3.12Å; S118-N125 VanDerWaalsContact OG-CA 3.23Å; S118-N125 WeakPolarHBondContact OG-CA 3.39Å; S118-N125 PolarHBondContact OG-N 2.78Å; S118-N125 VanDerWaalsContact OG-N 3.13Å; S118-N125 PolarHBondContact OG-OD1 3.49Å
119H38.8Very low59.9Low67 Ų6773.2 Ų73.231%0.3140%0.401SS..  trans-56.1135.9178.7-144.6-67.1000110.4I121 F122 P275 I276H119-I121 PolarHBondContact O-N 3.23Å; H119-F122 HydrophobicContact CB-CD2 3.93Å; H119-F122 CarbonylContact O-C 3.52Å; H119-F122 WeakPolarHBondContact O-CA 3.49Å; H119-F122 PolarHBondContact O-N 3.05Å; H119-F122 VanDerWaalsContact O-O 3.06Å; H119-P275 HydrophobicContact CB-CB 4.34Å; H119-I276 PolarHBondContact NE2-O 3.36Å
120P31.1Very low59.8Low108 Ų10872.7 Ų72.770%0.70139%0.388SS*.THydrogen-bonded Turntrans-54.3-20.2-170.510.9-28000117.3
121I34.2Very low59.8Low128 Ų12870.4 Ų70.466%0.65637%0.374SS*.THydrogen-bonded Turntrans-90.6-23.6179.8-57163.3000111.2H119 Q123 P275H119-I121 PolarHBondContact O-N 3.23Å; I121-Q123 PolarHBondContact O-N 2.93Å; I121-P275 HydrophobicContact CB-CB 4.12Å; I121-P275 HydrophobicContact CB-CG 3.35Å; I121-P275 HydrophobicContact CD1-CB 4.43Å; I121-P275 HydrophobicContact CD1-CG 4.28Å; I121-P275 HydrophobicContact CG1-CG 4.4Å; I121-P275 HydrophobicContact CG2-CG 3.4Å; I121-P275 VanDerWaalsContact CG2-CG 3.4Å
122F34.2Very low60Low73 Ų7365.6 Ų65.632%0.3235%0.353SS..  trans-83.387.4157.7-59.9-69.8000106.8S118 H119 G124 M261 K274 P275S118-F122 PolarHBondContact OG-O 2.7Å; H119-F122 HydrophobicContact CB-CD2 3.93Å; H119-F122 CarbonylContact O-C 3.52Å; H119-F122 WeakPolarHBondContact O-CA 3.49Å; H119-F122 PolarHBondContact O-N 3.05Å; H119-F122 VanDerWaalsContact O-O 3.06Å; F122-G124 PolarHBondContact O-N 3.14Å; F122-M261 HydrophobicContact CE2-CE 4.42Å; F122-K274 HydrophobicContact CZ-CB 4.38Å; F122-P275 HydrophobicContact CD1-CG 4.29Å; F122-P275 HydrophobicContact CD2-CB 3.78Å; F122-P275 HydrophobicContact CD2-CG 3.75Å; F122-P275 HydrophobicContact CE1-CG 4.18Å; F122-P275 HydrophobicContact CE2-CB 3.47Å; F122-P275 VanDerWaalsContact CE2-CB 3.47Å; F122-P275 HydrophobicContact CE2-CG 3.63Å; F122-P275 HydrophobicContact CG-CG 4.1Å; F122-P275 HydrophobicContact CZ-CB 4.06Å; F122-P275 HydrophobicContact CZ-CG 3.86Å
123Q32.2Very low60.4Low182 Ų18267.5 Ų67.585%0.8535%0.354SS*.  trans-62.219.4164.8-77.7-173.5-12.200113.3I121I121-Q123 PolarHBondContact O-N 2.93Å
124G38.4Very low61Low4 Ų463.9 Ų63.94%0.04134%0.335CS..  trans-10786.7169.700000110.6S118 F122 Y126S118-G124 WeakPolarHBondContact CB-O 3.41Å; S118-G124 PolarHBondContact OG-O 3.12Å; F122-G124 PolarHBondContact O-N 3.14Å; G124-Y126 PolarHBondContact O-N 2.85Å
125N44.9Very low62.1Low72 Ų7264.1 Ų64.139%0.38533%0.33SS..  trans-55.3112.3156.3-53.7-35.6000105.8S118 G127 K151S118-N125 VanDerWaalsContact OG-CA 3.23Å; S118-N125 WeakPolarHBondContact OG-CA 3.39Å; S118-N125 PolarHBondContact OG-N 2.78Å; S118-N125 VanDerWaalsContact OG-N 3.13Å; S118-N125 PolarHBondContact OG-OD1 3.49Å; N125-G127 PolarHBondContact O-N 3.44Å; N125-K151 WeakPolarHBondContact O-CD 3.43Å; N125-K151 WeakPolarHBondContact O-CE 3.2Å; N125-K151 WeakPolarHBondContact O-CG 3.36Å
126Y52.4Low63.4Low42 Ų4264.4 Ų64.417%0.16532%0.317CS..  trans-53.6121.5150.7-72.9-78.3000105.4V116 G124 L150 A162 F163V116-Y126 WeakPolarHBondContact CB-O 3.29Å; G124-Y126 PolarHBondContact O-N 2.85Å; Y126-L150 HydrophobicContact CE1-CD1 4.45Å; Y126-A162 WeakPolarHBondContact OH-CB 3.5Å; Y126-F163 HydrophobicContact CD1-CD2 4.05Å; Y126-F163 HydrophobicContact CE1-CB 4.16Å; Y126-F163 HydrophobicContact CE1-CD2 4.08Å
127G60.4Low64.9Low8 Ų869.8 Ų69.88%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-56.9152.8-161.100000111.5N125 V129 F149N125-G127 PolarHBondContact O-N 3.44Å; G127-V129 PolarHBondContact O-N 2.88Å; G127-F149 WeakPolarHBondContact CA-O 3.36Å; G127-F149 PolarHBondContact N-O 3.21Å
128E74.4Confident66.6Low93 Ų9371.8 Ų71.844%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-15.2129.8161.9-67.4170.9-178.200114.1L112 W130 F149L112-E128 HydrophobicContact CD1-CB 3.54Å; L112-E128 HydrophobicContact CD1-CG 3.83Å; E128-W130 PolarHBondContact OE2-NE1 3.35Å; E128-F149 VanDerWaalsContact O-CD2 3.24Å; E128-F149 WeakPolarHBondContact O-CD2 3.43Å
129V86.5Confident68.7Low31 Ų3177.9 Ų77.919%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-90.2129.1170.6-172.30000107.9L113 G114 V116 G127 A146 V147L113-V129 WeakPolarHBondContact CA-O 3.44Å; L113-V129 WeakPolarHBondContact CB-O 3.4Å; L113-V129 HydrophobicContact CD1-CG1 4.22Å; L113-V129 PolarHBondContact N-O 3.41Å; G114-V129 PolarHBondContact N-O 2.91Å; G114-V129 PolarHBondContact O-N 3.43Å; V116-V129 HydrophobicContact CG2-CG2 3.52Å; G127-V129 PolarHBondContact O-N 2.88Å; V129-A146 HydrophobicContact CG1-CB 4.1Å; V129-V147 WeakPolarHBondContact CA-O 3.42Å
130W92.1Very high71Confident71 Ų7177.9 Ų77.927%0.26937%0.373SS..EExtended strand (participates in β ladder)trans-118146.7-179.9-7567.4000111.1P109 K111 L112 E128 Y132 A146 V147 F149P109-W130 HydrophobicContact CB-CE3 4.48Å; K111-W130 VanDerWaalsContact C-CE3 3.4Å; K111-W130 CarbonylContact O-C 3.53Å; K111-W130 WeakPolarHBondContact O-CA 3.37Å; L112-W130 HydrophobicContact CB-CD2 4.27Å; L112-W130 HydrophobicContact CB-CE3 4.48Å; L112-W130 HydrophobicContact CB-CH2 4.37Å; L112-W130 HydrophobicContact CB-CZ2 4.16Å; L112-W130 HydrophobicContact CD1-CD2 4.37Å; L112-W130 HydrophobicContact CD1-CG 4.34Å; L112-W130 HydrophobicContact CD1-CZ2 4.38Å; E128-W130 PolarHBondContact OE2-NE1 3.35Å; W130-Y132 HydrophobicContact CB-CD2 3.72Å; W130-Y132 HydrophobicContact CB-CE2 3.5Å; W130-Y132 HydrophobicContact CG-CE2 4.2Å; W130-A146 CarbonylContact O-C 3.49Å; W130-A146 WeakPolarHBondContact O-CA 3.45Å; W130-V147 PolarHBondContact N-O 3.03Å; W130-V147 PolarHBondContact O-N 2.72Å; W130-F149 HydrophobicContact CB-CE2 3.97Å; W130-F149 AromaticContact CD1-CE2 3.33Å; W130-F149 AromaticContact CG-CE2 3.74Å; W130-F149 HydrophobicContact CG-CE2 3.74Å; W130-F149 HydrophobicContact CG-CZ 4.33Å
131E94.3Very high74Confident12 Ų1276.9 Ų76.96%0.05637%0.374CS..EExtended strand (participates in β ladder)trans-76.4133.7161.9-177.8176.5155.700108.5V110 K111 L113 K144 L197V110-E131 HydrophobicContact CB-CB 4.15Å; V110-E131 HydrophobicContact CB-CG 3.95Å; V110-E131 WeakPolarHBondContact CB-O 3.33Å; V110-E131 HydrophobicContact CG1-CG 4.28Å; V110-E131 HydrophobicContact CG2-CG 4.27Å; V110-E131 PolarHBondContact N-O 3.48Å; K111-E131 WeakPolarHBondContact CE-OE2 3.49Å; K111-E131 HydrophobicContact CG-CB 3.97Å; K111-E131 PolarHBondContact N-O 3.39Å; K111-E131 IonicContact NZ-OE2 3.82Å; K111-E131 PolarHBondContact O-N 2.94Å; L113-E131 HydrophobicContact CD1-CB 4.08Å; L113-E131 HydrophobicContact CD2-CB 4.02Å; L113-E131 HydrophobicContact CG-CB 4.04Å; E131-K144 WeakPolarHBondContact OE1-CD 3.35Å; E131-K144 WeakPolarHBondContact OE1-CE 3.16Å; E131-K144 IonicContact OE1-NZ 3.3Å; E131-K144 PolarHBondContact OE1-NZ 3.33Å; E131-L197 HydrophobicContact CG-CD2 3.98Å
132Y96.7Very high76.8Confident14 Ų1474.2 Ų74.26%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-130.1158.2175.7-90-107.8000110.2L107 M108 P109 W130 K144 V145 V147 F149 K192L107-Y132 HydrophobicContact CB-CD1 3.72Å; L107-Y132 HydrophobicContact CB-CE1 4.05Å; L107-Y132 HydrophobicContact CD2-CD1 4.44Å; M108-Y132 CarbonylContact O-C 3.59Å; M108-Y132 VanDerWaalsContact O-CA 3.28Å; M108-Y132 WeakPolarHBondContact O-CA 3.44Å; M108-Y132 VanDerWaalsContact O-CD1 3.25Å; M108-Y132 WeakPolarHBondContact O-CD1 3.46Å; P109-Y132 HydrophobicContact CB-CD1 4.42Å; P109-Y132 HydrophobicContact CB-CE1 3.81Å; P109-Y132 HydrophobicContact CB-CE2 4.08Å; P109-Y132 HydrophobicContact CG-CE1 4.34Å; P109-Y132 VanDerWaalsContact N-CE1 3.3Å; W130-Y132 HydrophobicContact CB-CD2 3.72Å; W130-Y132 HydrophobicContact CB-CE2 3.5Å; W130-Y132 HydrophobicContact CG-CE2 4.2Å; Y132-K144 WeakPolarHBondContact O-CA 3.41Å; Y132-V145 PolarHBondContact N-O 3.11Å; Y132-V145 PolarHBondContact O-N 3.28Å; Y132-V147 HydrophobicContact CD1-CG2 4.26Å; Y132-V147 HydrophobicContact CD2-CB 3.55Å; Y132-V147 HydrophobicContact CD2-CG1 4.31Å; Y132-V147 HydrophobicContact CD2-CG2 3.44Å; Y132-V147 VanDerWaalsContact CD2-CG2 3.44Å; Y132-V147 HydrophobicContact CE2-CB 3.88Å; Y132-V147 HydrophobicContact CE2-CG1 4.19Å; Y132-V147 HydrophobicContact CE2-CG2 4.12Å; Y132-V147 HydrophobicContact CG-CB 4.18Å; Y132-V147 HydrophobicContact CG-CG2 3.52Å; Y132-F149 HydrophobicContact CE2-CE2 4.18Å; Y132-F149 AromaticContact CE2-CZ 3.74Å; Y132-F149 HydrophobicContact CE2-CZ 3.74Å; Y132-F149 AromaticContact CZ-CZ 3.87Å; Y132-F149 WeakPolarHBondContact OH-CZ 3.43Å; Y132-K192 PolarHBondContact OH-NZ 3.41Å
133R97.1Very high79.7Confident122 Ų12274.6 Ų74.646%0.4637%0.368SS..EExtended strand (participates in β ladder)trans-99.4127.6160.7-69177.8-171.4178.21.3109.1M108 V110 P142 E143M108-R133 HydrophobicContact CB-CB 4.44Å; M108-R133 HydrophobicContact CE-CB 4.15Å; M108-R133 PolarHBondContact N-O 3.5Å; M108-R133 PolarHBondContact O-N 2.85Å; V110-R133 HydrophobicContact CG2-CG 3.78Å; R133-P142 HydrophobicContact CB-CB 4.09Å; R133-P142 HydrophobicContact CG-CB 4.36Å; R133-E143 CarbonylContact C-O 3.57Å; R133-E143 WeakPolarHBondContact CA-O 3.45Å
134L96.7Very high82.7Confident2 Ų271.5 Ų71.51%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-103.4125.5174.1173.961.7000109.5L102 Q106 L107 R136 P142 E143 V145 I182L102-L134 HydrophobicContact CD1-CD1 4.02Å; L102-L134 HydrophobicContact CD1-CD2 4.25Å; L102-L134 HydrophobicContact CD2-CD1 4.22Å; Q106-L134 HydrophobicContact CB-CD1 3.99Å; Q106-L134 WeakPolarHBondContact O-CA 3.41Å; L107-L134 HydrophobicContact CD2-CB 4.21Å; L107-L134 HydrophobicContact CD2-CD1 3.83Å; L107-L134 HydrophobicContact CG-CD1 4.43Å; L134-R136 HydrophobicContact CD1-CG 4.4Å; L134-R136 HydrophobicContact CD2-CG 4.19Å; L134-R136 HydrophobicContact CG-CG 4.1Å; L134-P142 WeakPolarHBondContact O-CA 3.39Å; L134-E143 HydrophobicContact CB-CB 4.49Å; L134-E143 PolarHBondContact N-O 2.85Å; L134-E143 PolarHBondContact O-N 3.11Å; L134-V145 HydrophobicContact CB-CG1 3.87Å; L134-V145 HydrophobicContact CB-CG2 3.97Å; L134-V145 HydrophobicContact CD2-CG1 4.12Å; L134-I182 HydrophobicContact CD2-CG2 3.72Å
135V95.6Very high85.5Confident33 Ų3371.3 Ų71.320%0.235%0.35CS..  trans-119.9106172.4176.90000107.3Q106 M108 F137 P142Q106-V135 VanDerWaalsContact CB-O 3.24Å; Q106-V135 WeakPolarHBondContact CB-O 3.48Å; Q106-V135 VanDerWaalsContact CG-O 3.29Å; Q106-V135 WeakPolarHBondContact CG-O 3.43Å; Q106-V135 PolarHBondContact O-N 3.01Å; M108-V135 HydrophobicContact CE-CG2 3.83Å; V135-F137 WeakPolarHBondContact CG1-O 3.3Å; V135-P142 HydrophobicContact CG2-CB 3.82Å
136R89.3Confident87.9Confident78 Ų7868.3 Ų68.329%0.29433%0.334SS..SBendtrans-77-50.7-174.4-60.4177.6-175.2-95.33.4110.5Q106 L134 D140 E143Q106-R136 PolarHBondContact NE2-O 3.2Å; L134-R136 HydrophobicContact CD1-CG 4.4Å; L134-R136 HydrophobicContact CD2-CG 4.19Å; L134-R136 HydrophobicContact CG-CG 4.1Å; R136-D140 WeakPolarHBondContact CB-OD2 3.39Å; R136-E143 IonicContact NH2-OE2 3.94Å
137F87Confident89.8Confident147 Ų14766.3 Ų66.365%0.64533%0.327SS*.SBendtrans-116.7161.4175.2-55.4-72.4000111.4V135 D139 D140V135-F137 WeakPolarHBondContact CG1-O 3.3Å; F137-D139 PolarHBondContact O-N 3.18Å; F137-D140 VanDerWaalsContact CD2-OD2 3.25Å; F137-D140 WeakPolarHBondContact CD2-OD2 3.48Å; F137-D140 PolarHBondContact N-OD2 2.99Å; F137-D140 PolarHBondContact O-N 3.36Å; F137-D140 VanDerWaalsContact O-N 3.13Å
138K81.2Confident91.1Very high198 Ų19866.2 Ų66.286%0.86132%0.324SS*.THydrogen-bonded Turntrans-56.7-28.8-170.9-170.1-178.9175-169.60113.2
139D85.7Confident91.6Very high150 Ų15062.9 Ų62.980%0.80231%0.308SS*.THydrogen-bonded Turntrans-109.34.8-173.6-50.5-48.9000113F137F137-D139 PolarHBondContact O-N 3.18Å
140D87.5Confident90.9Very high68 Ų6861.8 Ų61.836%0.36430%0.301SS..SBendtrans-73.4142.3176.8-72.5-17.2000111.1R136 F137R136-D140 WeakPolarHBondContact CB-OD2 3.39Å; F137-D140 VanDerWaalsContact CD2-OD2 3.25Å; F137-D140 WeakPolarHBondContact CD2-OD2 3.48Å; F137-D140 PolarHBondContact N-OD2 2.99Å; F137-D140 PolarHBondContact O-N 3.36Å; F137-D140 VanDerWaalsContact O-N 3.13Å
141A92.5Very high89.6Confident87 Ų8762.2 Ų62.272%0.71931%0.305SS*.PPolyproline II helixtrans-61.9135.1164.300000109.7E143A141-E143 PolarHBondContact O-N 2.97Å
142P93.4Very high87.9Confident71 Ų7163.7 Ų63.746%0.46132%0.323SS..PPolyproline II helixtrans-64122.4179.321.4-29.7000111.4R133 L134 V135R133-P142 HydrophobicContact CB-CB 4.09Å; R133-P142 HydrophobicContact CG-CB 4.36Å; L134-P142 WeakPolarHBondContact O-CA 3.39Å; V135-P142 HydrophobicContact CG2-CB 3.82Å
143E95.2Very high86.1Confident81 Ų8165.7 Ų65.738%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-86135.9174.7-174.8-172.7173.900110R133 L134 R136 A141 V145R133-E143 CarbonylContact C-O 3.57Å; R133-E143 WeakPolarHBondContact CA-O 3.45Å; L134-E143 HydrophobicContact CB-CB 4.49Å; L134-E143 PolarHBondContact N-O 2.85Å; L134-E143 PolarHBondContact O-N 3.11Å; R136-E143 IonicContact NH2-OE2 3.94Å; A141-E143 PolarHBondContact O-N 2.97Å; E143-V145 HydrophobicContact CG-CG1 4.11Å
144K96.3Very high84.4Confident118 Ų11870.2 Ų70.251%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-80.5128171.6-70.1-174.6174.4-162.50110.8E131 Y132 L197E131-K144 WeakPolarHBondContact OE1-CD 3.35Å; E131-K144 WeakPolarHBondContact OE1-CE 3.16Å; E131-K144 IonicContact OE1-NZ 3.3Å; E131-K144 PolarHBondContact OE1-NZ 3.33Å; Y132-K144 WeakPolarHBondContact O-CA 3.41Å; K144-L197 HydrophobicContact CB-CD2 3.79Å; K144-L197 HydrophobicContact CD-CD2 4.21Å
145V96.6Very high82.8Confident0 Ų071.1 Ų71.10%038%0.377CS..EExtended strand (participates in β ladder)trans-134.5156.6-176.3-59.90000111.4L107 Y132 L134 E143 V147 I182 V194 M195L107-V145 HydrophobicContact CD2-CG2 4.26Å; Y132-V145 PolarHBondContact N-O 3.11Å; Y132-V145 PolarHBondContact O-N 3.28Å; L134-V145 HydrophobicContact CB-CG1 3.87Å; L134-V145 HydrophobicContact CB-CG2 3.97Å; L134-V145 HydrophobicContact CD2-CG1 4.12Å; E143-V145 HydrophobicContact CG-CG1 4.11Å; V145-V147 HydrophobicContact CG2-CG2 4.3Å; V145-I182 HydrophobicContact CB-CD1 4.34Å; V145-I182 HydrophobicContact CG1-CD1 3.6Å; V145-V194 HydrophobicContact CB-CG1 3.7Å; V145-V194 HydrophobicContact CG1-CG1 4.11Å; V145-V194 HydrophobicContact CG2-CG1 3.6Å; V145-M195 WeakPolarHBondContact CB-O 3.43Å
146A94.7Very high81.5Confident8 Ų872.2 Ų72.27%0.06639%0.385CS..EExtended strand (participates in β ladder)trans-95.3136.1170.300000110.1V129 W130 V194 M195 L197V129-A146 HydrophobicContact CG1-CB 4.1Å; W130-A146 CarbonylContact O-C 3.49Å; W130-A146 WeakPolarHBondContact O-CA 3.45Å; A146-V194 WeakPolarHBondContact O-CA 3.48Å; A146-M195 PolarHBondContact N-O 3.49Å; A146-M195 PolarHBondContact O-N 2.93Å; A146-L197 HydrophobicContact CB-CD1 4.14Å
147V92.6Very high80.7Confident0 Ų076 Ų760%040%0.403CS..EExtended strand (participates in β ladder)trans-121.9116.7179.7177.90000110.4V129 W130 Y132 V145 F149 K192 M193 V194V129-V147 WeakPolarHBondContact CA-O 3.42Å; W130-V147 PolarHBondContact N-O 3.03Å; W130-V147 PolarHBondContact O-N 2.72Å; Y132-V147 HydrophobicContact CD1-CG2 4.26Å; Y132-V147 HydrophobicContact CD2-CB 3.55Å; Y132-V147 HydrophobicContact CD2-CG1 4.31Å; Y132-V147 HydrophobicContact CD2-CG2 3.44Å; Y132-V147 VanDerWaalsContact CD2-CG2 3.44Å; Y132-V147 HydrophobicContact CE2-CB 3.88Å; Y132-V147 HydrophobicContact CE2-CG1 4.19Å; Y132-V147 HydrophobicContact CE2-CG2 4.12Å; Y132-V147 HydrophobicContact CG-CB 4.18Å; Y132-V147 HydrophobicContact CG-CG2 3.52Å; V145-V147 HydrophobicContact CG2-CG2 4.3Å; V147-F149 HydrophobicContact CB-CE2 4.39Å; V147-F149 HydrophobicContact CG1-CD2 4.22Å; V147-F149 HydrophobicContact CG1-CE1 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.84Å; V147-F149 HydrophobicContact CG1-CZ 3.97Å; V147-K192 HydrophobicContact CG1-CB 3.67Å; V147-K192 HydrophobicContact CG1-CD 4.12Å; V147-K192 HydrophobicContact CG1-CG 3.79Å; V147-M193 CarbonylContact C-O 3.58Å; V147-M193 VanDerWaalsContact CA-O 3.28Å; V147-M193 WeakPolarHBondContact CA-O 3.28Å; V147-V194 HydrophobicContact CG2-CG1 4.44Å; V147-V194 HydrophobicContact CG2-CG2 4.24Å
148K88.1Confident79.8Confident6 Ų675.2 Ų75.23%0.02640%0.402CS..EExtended strand (participates in β ladder)trans-97.9129.5171.8-176.2175.2179.1179.70108.5E166 M193 M195 D258K148-E166 IonicContact NZ-OE1 3.6Å; K148-E166 PolarHBondContact NZ-OE1 3.24Å; K148-E166 IonicContact NZ-OE2 2.77Å; K148-E166 PolarHBondContact NZ-OE2 3.14Å; K148-M193 HydrophobicContact CB-CB 4.45Å; K148-M193 PolarHBondContact N-O 3.29Å; K148-M193 PolarHBondContact O-N 3.48Å; K148-M195 HydrophobicContact CB-CE 3.89Å; K148-D258 IonicContact NZ-OD1 3.49Å; K148-D258 PolarHBondContact NZ-OD1 3.23Å; K148-D258 IonicContact NZ-OD2 3.26Å; K148-D258 PolarHBondContact NZ-OD2 2.95Å
149F84.2Confident79.2Confident24 Ų2467.9 Ų67.911%0.10537%0.371CS..EExtended strand (participates in β ladder)trans-99.3140.5-177.6-63.3-100.7000111.4G127 E128 W130 Y132 V147 P190 V191 K192G127-F149 WeakPolarHBondContact CA-O 3.36Å; G127-F149 PolarHBondContact N-O 3.21Å; E128-F149 VanDerWaalsContact O-CD2 3.24Å; E128-F149 WeakPolarHBondContact O-CD2 3.43Å; W130-F149 HydrophobicContact CB-CE2 3.97Å; W130-F149 AromaticContact CD1-CE2 3.33Å; W130-F149 AromaticContact CG-CE2 3.74Å; W130-F149 HydrophobicContact CG-CE2 3.74Å; W130-F149 HydrophobicContact CG-CZ 4.33Å; Y132-F149 HydrophobicContact CE2-CE2 4.18Å; Y132-F149 AromaticContact CE2-CZ 3.74Å; Y132-F149 HydrophobicContact CE2-CZ 3.74Å; Y132-F149 AromaticContact CZ-CZ 3.87Å; Y132-F149 WeakPolarHBondContact OH-CZ 3.43Å; V147-F149 HydrophobicContact CB-CE2 4.39Å; V147-F149 HydrophobicContact CG1-CD2 4.22Å; V147-F149 HydrophobicContact CG1-CE1 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.84Å; V147-F149 HydrophobicContact CG1-CZ 3.97Å; F149-P190 HydrophobicContact CB-CB 4.25Å; F149-P190 HydrophobicContact CB-CG 4.38Å; F149-P190 HydrophobicContact CD1-CB 4.11Å; F149-P190 HydrophobicContact CD1-CG 3.59Å; F149-P190 HydrophobicContact CE1-CG 4.28Å; F149-P190 HydrophobicContact CG-CG 4.38Å; F149-V191 WeakPolarHBondContact CA-O 3.39Å; F149-K192 HydrophobicContact CD1-CG 3.8Å; F149-K192 HydrophobicContact CE1-CD 4.11Å; F149-K192 VanDerWaalsContact CE1-CE 3.49Å; F149-K192 HydrophobicContact CE1-CG 3.72Å
150L71.8Confident78.7Confident7 Ų766.4 Ų66.44%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-83.9113.4158.7-176.764000107.5Y126 G152 V155 R160 F163 P190 V191Y126-L150 HydrophobicContact CE1-CD1 4.45Å; L150-G152 PolarHBondContact O-N 3.45Å; L150-V155 HydrophobicContact CD1-CG1 4.05Å; L150-V155 HydrophobicContact CG-CG1 4.36Å; L150-R160 HydrophobicContact CD2-CB 4.1Å; L150-R160 HydrophobicContact CD2-CG 3.91Å; L150-F163 HydrophobicContact CB-CD1 4.05Å; L150-F163 HydrophobicContact CB-CD2 3.87Å; L150-F163 HydrophobicContact CB-CE1 4.09Å; L150-F163 HydrophobicContact CB-CE2 3.89Å; L150-F163 HydrophobicContact CB-CG 3.92Å; L150-F163 HydrophobicContact CB-CZ 3.97Å; L150-F163 HydrophobicContact CD1-CB 3.72Å; L150-F163 HydrophobicContact CD1-CD2 4Å; L150-F163 HydrophobicContact CD1-CG 3.89Å; L150-F163 HydrophobicContact CD2-CB 4.12Å; L150-F163 HydrophobicContact CD2-CD1 4.08Å; L150-F163 HydrophobicContact CD2-CG 4.1Å; L150-F163 HydrophobicContact CG-CB 4.37Å; L150-F163 HydrophobicContact CG-CD1 4.49Å; L150-F163 HydrophobicContact CG-CD2 4.43Å; L150-F163 HydrophobicContact CG-CG 4.19Å; L150-P190 WeakPolarHBondContact O-CB 3.35Å; L150-V191 HydrophobicContact CB-CB 4.31Å; L150-V191 PolarHBondContact N-O 3.24Å
151K65Low78.1Confident80 Ų8066.7 Ų66.735%0.34836%0.358SS..  trans-37.7139-176.7-81.9-176.8178.5176.20112.8N125 V155N125-K151 WeakPolarHBondContact O-CD 3.43Å; N125-K151 WeakPolarHBondContact O-CE 3.2Å; N125-K151 WeakPolarHBondContact O-CG 3.36Å; K151-V155 HydrophobicContact CB-CG2 3.69Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å
152G58.8Low77.2Confident43 Ų4363.7 Ų63.744%0.44333%0.333SS..SBendtrans-80.2141.6173.400000110.8L150L150-G152 PolarHBondContact O-N 3.45Å
153G58.3Low76.5Confident57 Ų5760.3 Ų60.359%0.58831%0.311SS*.SBendtrans77.4131.7172.200000114.9V155G153-V155 PolarHBondContact O-N 3.29Å
154K62.1Low75.9Confident217 Ų21757.4 Ų57.494%0.94330%0.297SS*.SBendtrans50.512.2177.6-64.5-172.4-179.2-179.90118P156K154-P156 WeakPolarHBondContact O-CD 3.43Å
155V62.7Low75Confident20 Ų2052.1 Ų52.112%0.12128%0.276CS..  trans-56.4122.2173.6173.20000110L150 K151 G153 E159L150-V155 HydrophobicContact CD1-CG1 4.05Å; L150-V155 HydrophobicContact CG-CG1 4.36Å; K151-V155 HydrophobicContact CB-CG2 3.69Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å; G153-V155 PolarHBondContact O-N 3.29Å; V155-E159 HydrophobicContact CG1-CB 3.56Å
156P68.2Low74.3Confident57 Ų5752.1 Ų52.137%0.3728%0.276SS..  trans-51146.8175.5-26.734.3000111.4K154 E158 E159 R160K154-P156 WeakPolarHBondContact O-CD 3.43Å; P156-E158 VanDerWaalsContact CB-OE2 3.3Å; P156-E158 WeakPolarHBondContact CB-OE2 3.39Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.15Å; P156-E159 HydrophobicContact CB-CG 4.48Å; P156-E159 HydrophobicContact CG-CG 4.46Å; P156-E159 PolarHBondContact O-N 2.96Å; P156-E159 VanDerWaalsContact O-N 3.16Å; P156-R160 PolarHBondContact O-N 2.93Å
157K71.8Confident73.8Confident156 Ų15652.1 Ų52.168%0.67828%0.276SS*.Hα-helixtrans-56.6-35.5-179.1-176.3-175.9174.5-170.20110.6R160 V161K157-R160 PolarHBondContact O-N 3.46Å; K157-V161 VanDerWaalsContact O-CG2 3.29Å; K157-V161 WeakPolarHBondContact O-CG2 3.34Å; K157-V161 PolarHBondContact O-N 3.24Å
158E70Confident73.4Confident132 Ų13254.3 Ų54.362%0.61728%0.284SS*.Hα-helixtrans-63.9-44.2-179.1-59.867.8-142.900111.7P156 V161 A162P156-E158 VanDerWaalsContact CB-OE2 3.3Å; P156-E158 WeakPolarHBondContact CB-OE2 3.39Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.15Å; E158-V161 PolarHBondContact O-N 2.82Å; E158-A162 WeakPolarHBondContact O-CB 3.15Å; E158-A162 PolarHBondContact O-N 3.05Å
159E68.1Low73.2Confident43 Ų4356 Ų5620%0.20129%0.29CS..Hα-helixtrans-65.4-40.3177-76.3-177.8-151.600111.5V155 P156 A162 F163V155-E159 HydrophobicContact CG1-CB 3.56Å; P156-E159 HydrophobicContact CB-CG 4.48Å; P156-E159 HydrophobicContact CG-CG 4.46Å; P156-E159 PolarHBondContact O-N 2.96Å; P156-E159 VanDerWaalsContact O-N 3.16Å; E159-A162 PolarHBondContact O-N 3.48Å; E159-F163 WeakPolarHBondContact O-CB 3.27Å; E159-F163 PolarHBondContact O-N 3.26Å
160R75Confident73.3Confident120 Ų12055.4 Ų55.445%0.45329%0.288SS..Hα-helixtrans-62.6-46.5174.7-174.9-176-59.1174.74.9111.3L150 P156 K157 A162 F163 F164L150-R160 HydrophobicContact CD2-CB 4.1Å; L150-R160 HydrophobicContact CD2-CG 3.91Å; P156-R160 PolarHBondContact O-N 2.93Å; K157-R160 PolarHBondContact O-N 3.46Å; R160-A162 VanDerWaalsContact C-N 3.31Å; R160-A162 PolarHBondContact O-N 2.81Å; R160-F163 PolarHBondContact O-N 3.42Å; R160-F164 HydrophobicContact CG-CD2 3.81Å; R160-F164 HydrophobicContact CG-CE2 3.64Å; R160-F164 WeakPolarHBondContact O-CD2 3.38Å; R160-F164 PolarHBondContact O-N 3.28Å; R160-F164 VanDerWaalsContact O-N 3.09Å
161V75.4Confident74.1Confident73 Ų7358.5 Ų58.544%0.44230%0.299SS..Hα-helixtrans-61-42.3176.4169.90000110.6K157 E158 G165K157-V161 VanDerWaalsContact O-CG2 3.29Å; K157-V161 WeakPolarHBondContact O-CG2 3.34Å; K157-V161 PolarHBondContact O-N 3.24Å; E158-V161 PolarHBondContact O-N 2.82Å; V161-G165 PolarHBondContact O-N 3.44Å
162A73.1Confident75.1Confident25 Ų2559.7 Ų59.721%0.20731%0.306CS..Hα-helixtrans-62.6-43.5177.200000112.3Y126 E158 E159 R160 G165 E166Y126-A162 WeakPolarHBondContact OH-CB 3.5Å; E158-A162 WeakPolarHBondContact O-CB 3.15Å; E158-A162 PolarHBondContact O-N 3.05Å; E159-A162 PolarHBondContact O-N 3.48Å; R160-A162 VanDerWaalsContact C-N 3.31Å; R160-A162 PolarHBondContact O-N 2.81Å; A162-G165 CarbonylContact O-C 3.52Å; A162-G165 PolarHBondContact O-N 3.28Å; A162-E166 PolarHBondContact O-N 3.18Å
163F78.3Confident76.7Confident0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-61.7-50.3177.3-177.4-93000112.7Y126 L150 E159 R160 G165 E166 C167 I184 V191 M193Y126-F163 HydrophobicContact CD1-CD2 4.05Å; Y126-F163 HydrophobicContact CE1-CB 4.16Å; Y126-F163 HydrophobicContact CE1-CD2 4.08Å; L150-F163 HydrophobicContact CB-CD1 4.05Å; L150-F163 HydrophobicContact CB-CD2 3.87Å; L150-F163 HydrophobicContact CB-CE1 4.09Å; L150-F163 HydrophobicContact CB-CE2 3.89Å; L150-F163 HydrophobicContact CB-CG 3.92Å; L150-F163 HydrophobicContact CB-CZ 3.97Å; L150-F163 HydrophobicContact CD1-CB 3.72Å; L150-F163 HydrophobicContact CD1-CD2 4Å; L150-F163 HydrophobicContact CD1-CG 3.89Å; L150-F163 HydrophobicContact CD2-CB 4.12Å; L150-F163 HydrophobicContact CD2-CD1 4.08Å; L150-F163 HydrophobicContact CD2-CG 4.1Å; L150-F163 HydrophobicContact CG-CB 4.37Å; L150-F163 HydrophobicContact CG-CD1 4.49Å; L150-F163 HydrophobicContact CG-CD2 4.43Å; L150-F163 HydrophobicContact CG-CG 4.19Å; E159-F163 WeakPolarHBondContact O-CB 3.27Å; E159-F163 PolarHBondContact O-N 3.26Å; R160-F163 PolarHBondContact O-N 3.42Å; F163-G165 VanDerWaalsContact C-N 3.26Å; F163-G165 PolarHBondContact O-N 3.08Å; F163-E166 WeakPolarHBondContact O-CB 3.31Å; F163-E166 PolarHBondContact O-N 2.9Å; F163-E166 VanDerWaalsContact O-N 3.13Å; F163-C167 PolarHBondContact O-N 3.33Å; F163-C167 PolarHBondContact O-SG 2.92Å; F163-I184 HydrophobicContact CE1-CD1 4.2Å; F163-V191 HydrophobicContact CE1-CB 4.29Å; F163-V191 HydrophobicContact CE1-CG1 3.7Å; F163-V191 HydrophobicContact CZ-CG1 4.38Å; F163-M193 HydrophobicContact CD2-CE 4.17Å; F163-M193 HydrophobicContact CE1-CB 4.38Å; F163-M193 HydrophobicContact CE2-CB 4.05Å; F163-M193 HydrophobicContact CE2-CE 3.89Å; F163-M193 HydrophobicContact CZ-CB 3.55Å; F163-M193 HydrophobicContact CZ-CE 4.16Å
164F82.1Confident78.4Confident19 Ų1960.8 Ų60.88%0.08330%0.296CS..Hα-helixtrans-66-32.4176.2-75-71.7000111.8P2 R160 C167 R168 I184 V186 V191P2-F164 HydrophobicContact CG-CB 4.2Å; P2-F164 HydrophobicContact CG-CD1 3.49Å; P2-F164 VanDerWaalsContact CG-CD1 3.49Å; P2-F164 HydrophobicContact CG-CD2 3.44Å; P2-F164 VanDerWaalsContact CG-CD2 3.44Å; P2-F164 HydrophobicContact CG-CE1 3.56Å; P2-F164 HydrophobicContact CG-CE2 3.54Å; P2-F164 HydrophobicContact CG-CG 3.44Å; P2-F164 VanDerWaalsContact CG-CG 3.44Å; P2-F164 HydrophobicContact CG-CZ 3.6Å; R160-F164 HydrophobicContact CG-CD2 3.81Å; R160-F164 HydrophobicContact CG-CE2 3.64Å; R160-F164 WeakPolarHBondContact O-CD2 3.38Å; R160-F164 PolarHBondContact O-N 3.28Å; R160-F164 VanDerWaalsContact O-N 3.09Å; F164-C167 PolarHBondContact O-N 2.89Å; F164-R168 WeakPolarHBondContact O-CG 3.47Å; F164-R168 PolarHBondContact O-N 2.97Å; F164-I184 HydrophobicContact CD1-CD1 3.79Å; F164-I184 HydrophobicContact CE1-CD1 3.48Å; F164-I184 VanDerWaalsContact CE1-CD1 3.48Å; F164-V186 HydrophobicContact CE1-CG1 3.96Å; F164-V186 HydrophobicContact CZ-CG1 4.38Å; F164-V191 HydrophobicContact CE1-CG1 4.43Å; F164-V191 HydrophobicContact CZ-CG1 4.25Å; F164-V191 HydrophobicContact CZ-CG2 4.3Å
165G78.7Confident80.1Confident7 Ų752.7 Ų52.77%0.07226%0.262CS..Hα-helixtrans-60.5-42.6169.900000112.8V161 A162 F163 R168 R169V161-G165 PolarHBondContact O-N 3.44Å; A162-G165 CarbonylContact O-C 3.52Å; A162-G165 PolarHBondContact O-N 3.28Å; F163-G165 VanDerWaalsContact C-N 3.26Å; F163-G165 PolarHBondContact O-N 3.08Å; G165-R168 PolarHBondContact O-N 2.97Å; G165-R169 WeakPolarHBondContact O-CG 3.49Å; G165-R169 PolarHBondContact O-N 3.24Å; G165-R169 PolarHBondContact O-NH1 3.45Å; G165-R169 VanDerWaalsContact O-NH1 3.13Å
166E80.7Confident81.8Confident1 Ų156.3 Ų56.31%0.00528%0.277CS..Hα-helixtrans-61.8-48.7174.2-174.4-179.3-175.300110.9K148 A162 F163 R168 R169 L170 M193 L259 G260K148-E166 IonicContact NZ-OE1 3.6Å; K148-E166 PolarHBondContact NZ-OE1 3.24Å; K148-E166 IonicContact NZ-OE2 2.77Å; K148-E166 PolarHBondContact NZ-OE2 3.14Å; A162-E166 PolarHBondContact O-N 3.18Å; F163-E166 WeakPolarHBondContact O-CB 3.31Å; F163-E166 PolarHBondContact O-N 2.9Å; F163-E166 VanDerWaalsContact O-N 3.13Å; E166-R168 VanDerWaalsContact C-N 3.33Å; E166-R168 PolarHBondContact O-N 3.42Å; E166-R169 PolarHBondContact O-N 3.39Å; E166-L170 HydrophobicContact CG-CD1 3.86Å; E166-L170 HydrophobicContact CG-CG 4.4Å; E166-L170 WeakPolarHBondContact O-CB 3.44Å; E166-L170 WeakPolarHBondContact O-CG 3.31Å; E166-L170 PolarHBondContact O-N 3.42Å; E166-M193 HydrophobicContact CB-CE 4.07Å; E166-M193 HydrophobicContact CG-CE 3.83Å; E166-L259 HydrophobicContact CG-CB 4.35Å; E166-L259 PolarHBondContact OE1-N 2.94Å; E166-G260 PolarHBondContact OE1-N 2.84Å
167C85.1Confident83.2Confident7 Ų753.6 Ų53.65%0.04726%0.26CS..Hα-helixtrans-55.9-45.6175-63.20000112.2F163 F164 R169 R171 F181 I184 M193F163-C167 PolarHBondContact O-N 3.33Å; F163-C167 PolarHBondContact O-SG 2.92Å; F164-C167 PolarHBondContact O-N 2.89Å; C167-R169 PolarHBondContact O-N 3.42Å; C167-R171 VanDerWaalsContact O-CB 3.25Å; C167-R171 WeakPolarHBondContact O-CB 3.35Å; C167-R171 PolarHBondContact O-N 3.14Å; C167-F181 HydrophobicContact CB-CE2 4.05Å; C167-F181 HydrophobicContact CB-CZ 4.42Å; C167-I184 HydrophobicContact CB-CD1 4.42Å; C167-M193 WeakPolarHBondContact SG-CE 3.15Å
168R84.3Confident84.4Confident47 Ų4746.6 Ų46.618%0.17723%0.229CC..Hα-helixtrans-62.3-41.9179.1-76.8179.1-129.9139.8-1.2112.6D5 F164 G165 E166 Q172D5-R168 VanDerWaalsContact CG-NE 3.28Å; D5-R168 VanDerWaalsContact OD1-CD 3.25Å; D5-R168 WeakPolarHBondContact OD1-CD 3.36Å; D5-R168 WeakPolarHBondContact OD1-CG 3.35Å; D5-R168 IonicContact OD1-CZ 3.12Å; D5-R168 IonicContact OD1-NE 3.77Å; D5-R168 PolarHBondContact OD1-NE 3.4Å; D5-R168 IonicContact OD1-NH2 2.7Å; D5-R168 IonicContact OD2-CZ 3.14Å; D5-R168 IonicContact OD2-NE 3.34Å; D5-R168 PolarHBondContact OD2-NE 3.3Å; D5-R168 IonicContact OD2-NH2 3.81Å; D5-R168 PolarHBondContact OD2-NH2 2.81Å; F164-R168 WeakPolarHBondContact O-CG 3.47Å; F164-R168 PolarHBondContact O-N 2.97Å; G165-R168 PolarHBondContact O-N 2.97Å; E166-R168 VanDerWaalsContact C-N 3.33Å; E166-R168 PolarHBondContact O-N 3.42Å; R168-Q172 WeakPolarHBondContact O-CG 3.31Å
169R82.6Confident85.6Confident40 Ų4040.8 Ų40.815%0.15120%0.203CC..Hα-helixtrans-65.7-54.6177.5-74.1-174-61.9-81.92.6110.1G165 E166 C167 R171 Q172 L173 L259 S262G165-R169 WeakPolarHBondContact O-CG 3.49Å; G165-R169 PolarHBondContact O-N 3.24Å; G165-R169 PolarHBondContact O-NH1 3.45Å; G165-R169 VanDerWaalsContact O-NH1 3.13Å; E166-R169 PolarHBondContact O-N 3.39Å; C167-R169 PolarHBondContact O-N 3.42Å; R169-R171 PolarHBondContact O-N 3.31Å; R169-Q172 PolarHBondContact O-N 2.88Å; R169-L173 WeakPolarHBondContact O-CG 3.38Å; R169-L259 PolarHBondContact NH2-O 2.85Å; R169-S262 PolarHBondContact NE-OG 2.79Å
170L86.4Confident86.8Confident12 Ų1241.9 Ų41.96%0.06321%0.213CC..Hα-helixtrans-57.6-37.5-179.3-71.9168.9000112.6E166 Q172 L173 F181 M193 L259E166-L170 HydrophobicContact CG-CD1 3.86Å; E166-L170 HydrophobicContact CG-CG 4.4Å; E166-L170 WeakPolarHBondContact O-CB 3.44Å; E166-L170 WeakPolarHBondContact O-CG 3.31Å; E166-L170 PolarHBondContact O-N 3.42Å; L170-Q172 PolarHBondContact O-N 2.92Å; L170-L173 PolarHBondContact O-N 3.23Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L170-F181 HydrophobicContact CB-CB 3.74Å; L170-F181 HydrophobicContact CB-CD2 4.23Å; L170-F181 HydrophobicContact CB-CG 4.2Å; L170-M193 HydrophobicContact CD1-CE 4.43Å; L170-M193 HydrophobicContact CD1-SD 3.94Å; L170-L259 HydrophobicContact CD2-CB 4.35Å; L170-L259 HydrophobicContact CD2-CD1 3.56Å; L170-L259 HydrophobicContact CD2-CG 4.01Å; L170-L259 HydrophobicContact CG-CD1 4.26Å
171R88.6Confident87.7Confident73 Ų7337.4 Ų37.428%0.27520%0.196SC..Hα-helixtrans-59.9-24.6176.2-171.2179.870.4-165.71.9113.7W100 C167 R169 F181W100-R171 VanDerWaalsContact CE2-NH1 3.33Å; C167-R171 VanDerWaalsContact O-CB 3.25Å; C167-R171 WeakPolarHBondContact O-CB 3.35Å; C167-R171 PolarHBondContact O-N 3.14Å; R169-R171 PolarHBondContact O-N 3.31Å; R171-F181 HydrophobicContact CB-CD1 3.94Å; R171-F181 HydrophobicContact CB-CE1 3.97Å; R171-F181 HydrophobicContact CG-CD1 4.22Å; R171-F181 HydrophobicContact CG-CE1 4.07Å
172Q87.4Confident88.6Confident105 Ų10534.9 Ų34.949%0.49118%0.18SC..THydrogen-bonded Turntrans-93.8-2.7179.8-65174.7500112.9R168 R169 L170R168-Q172 WeakPolarHBondContact O-CG 3.31Å; R169-Q172 PolarHBondContact O-N 2.88Å; L170-Q172 PolarHBondContact O-N 2.92Å
173L92.3Very high89.6Confident21 Ų2133.7 Ų33.711%0.1117%0.17CC..  trans-109.1133.6-173.5-60.6173.4000110.4R169 L170 L178 Y231 L232 Q235 I237 L259R169-L173 WeakPolarHBondContact O-CG 3.38Å; L170-L173 PolarHBondContact O-N 3.23Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L173-L178 HydrophobicContact CB-CD1 4.03Å; L173-L178 HydrophobicContact CD1-CD1 4.26Å; L173-Y231 HydrophobicContact CB-CE1 4.14Å; L173-Y231 HydrophobicContact CD2-CE1 3.69Å; L173-Y231 HydrophobicContact CG-CE1 4.46Å; L173-L232 HydrophobicContact CD1-CD2 3.81Å; L173-L232 HydrophobicContact CD2-CD2 4.46Å; L173-Q235 HydrophobicContact CD2-CB 4.24Å; L173-Q235 HydrophobicContact CD2-CG 3.92Å; L173-I237 HydrophobicContact CD1-CD1 3.85Å; L173-I237 HydrophobicContact CD2-CD1 3.62Å; L173-I237 HydrophobicContact CG-CD1 4.23Å; L173-L259 HydrophobicContact CD1-CD1 3.44Å; L173-L259 VanDerWaalsContact CD1-CD1 3.44Å
174S94.1Very high90.3Very high101 Ų10133.9 Ų33.971%0.70617%0.171SC*.  trans-142.7111175.2-176.30000109.1Y231S174-Y231 PolarHBondContact N-OH 2.93Å
175H97.4Very high90.7Very high48 Ų4833 Ų3322%0.22217%0.167CC..  trans-160.4144.9-179.2-173.1-93.1000110.5N177 L178 Y231H175-N177 PolarHBondContact CE1-OD1 3.4Å; H175-N177 PolarHBondContact ND1-N 3.39Å; H175-N177 PolarHBondContact O-N 2.84Å; H175-L178 HydrophobicContact CB-CB 4.36Å; H175-L178 HydrophobicContact CB-CD1 4.08Å; H175-L178 HydrophobicContact CB-CG 3.98Å; H175-L178 PolarHBondContact O-N 2.81Å; H175-L178 VanDerWaalsContact O-N 3.09Å; H175-Y231 HydrophobicContact CB-CD1 3.68Å; H175-Y231 HydrophobicContact CB-CD2 4.36Å; H175-Y231 HydrophobicContact CB-CE1 3.96Å; H175-Y231 HydrophobicContact CB-CG 3.9Å; H175-Y231 AromaticContact CD2-CD2 3.93Å; H175-Y231 AromaticContact CD2-CG 3.73Å; H175-Y231 AromaticContact CG-CG 3.86Å
176E97.8Very high91.1Very high96 Ų9634.5 Ų34.545%0.44918%0.175SC..THydrogen-bonded Turntrans-56.1-38.8-176.952.1162.8161.700112.9K227 K255E176-K227 IonicContact OE1-NZ 2.98Å; E176-K227 PolarHBondContact OE1-NZ 2.88Å; E176-K255 PolarHBondContact O-NZ 3.5Å
177N98.4Very high91.4Very high0 Ų038.4 Ų38.40%020%0.196CC..THydrogen-bonded Turntrans-94.821.4-178.8-53.3116.7000114.3H175 Q224 K227 L254 K255 L256H175-N177 PolarHBondContact CE1-OD1 3.4Å; H175-N177 PolarHBondContact ND1-N 3.39Å; H175-N177 PolarHBondContact O-N 2.84Å; N177-Q224 WeakPolarHBondContact CB-O 3.24Å; N177-Q224 WeakPolarHBondContact ND2-CB 3.39Å; N177-Q224 PolarHBondContact OD1-O 2.9Å; N177-K227 WeakPolarHBondContact OD1-CB 3.48Å; N177-L254 VanDerWaalsContact CA-O 3.32Å; N177-L254 WeakPolarHBondContact CA-O 3.23Å; N177-L254 WeakPolarHBondContact CB-O 3.48Å; N177-L254 PolarHBondContact ND2-O 3.16Å; N177-K255 WeakPolarHBondContact O-CA 3.44Å; N177-L256 PolarHBondContact O-N 3.42Å
178L96.8Very high91.4Very high8 Ų839.6 Ų39.64%0.04220%0.203CC..BIsolated β-bridgetrans-118.2150.5167.1-63.8-174.9000110L173 H175 T180 Y231 L232 K255 L256L173-L178 HydrophobicContact CB-CD1 4.03Å; L173-L178 HydrophobicContact CD1-CD1 4.26Å; H175-L178 HydrophobicContact CB-CB 4.36Å; H175-L178 HydrophobicContact CB-CD1 4.08Å; H175-L178 HydrophobicContact CB-CG 3.98Å; H175-L178 PolarHBondContact O-N 2.81Å; H175-L178 VanDerWaalsContact O-N 3.09Å; L178-T180 PolarHBondContact O-N 3.5Å; L178-Y231 HydrophobicContact CD1-CD1 3.58Å; L178-Y231 HydrophobicContact CD1-CE1 3.71Å; L178-Y231 HydrophobicContact CG-CD1 4.46Å; L178-L232 HydrophobicContact CD1-CD2 3.87Å; L178-L232 HydrophobicContact CD1-CG 4.37Å; L178-L232 HydrophobicContact CD2-CD1 4.13Å; L178-L232 HydrophobicContact CD2-CD2 4.32Å; L178-L232 HydrophobicContact CD2-CG 4.14Å; L178-K255 PolarHBondContact O-NZ 3.41Å; L178-L256 HydrophobicContact CD2-CB 3.73Å; L178-L256 HydrophobicContact CD2-CD1 3.91Å; L178-L256 HydrophobicContact CD2-CG 4.17Å
179V94.7Very high91.3Very high10 Ų1043.3 Ų43.36%0.06123%0.227CC..PPolyproline II helixtrans-68.5123.7169.4173.10000109.4M195 E196 L248 K255 L256 A257V179-M195 HydrophobicContact CG1-CB 3.88Å; V179-M195 HydrophobicContact CG1-CG 4.33Å; V179-M195 HydrophobicContact CG1-SD 4.07Å; V179-E196 HydrophobicContact CG1-CG 4.06Å; V179-L248 HydrophobicContact CG2-CD1 3.85Å; V179-L248 HydrophobicContact CG2-CG 4.49Å; V179-K255 HydrophobicContact CG2-CB 3.9Å; V179-L256 WeakPolarHBondContact CG2-O 3.31Å; V179-L256 PolarHBondContact N-O 2.87Å; V179-A257 HydrophobicContact CG2-CB 3.7Å
180T94.3Very high91.3Very high67 Ų6743.3 Ų43.341%0.41123%0.232SC..PPolyproline II helixtrans-73.4125.3-178.6-520000111L178 M195 E196L178-T180 PolarHBondContact O-N 3.5Å; T180-M195 WeakPolarHBondContact O-CA 3.44Å; T180-E196 VanDerWaalsContact CB-OE1 3.28Å; T180-E196 WeakPolarHBondContact CB-OE1 3.43Å; T180-E196 PolarHBondContact N-OE1 3.32Å; T180-E196 PolarHBondContact O-N 3.47Å; T180-E196 PolarHBondContact OG1-OE1 3.27Å
181F93.8Very high91.3Very high25 Ų2543.7 Ų43.711%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-77.2129168.6173.7-92.2000110.6W100 C167 L170 R171 G183 I184 M193W100-F181 HydrophobicContact CB-CE1 4.14Å; C167-F181 HydrophobicContact CB-CE2 4.05Å; C167-F181 HydrophobicContact CB-CZ 4.42Å; L170-F181 HydrophobicContact CB-CB 3.74Å; L170-F181 HydrophobicContact CB-CD2 4.23Å; L170-F181 HydrophobicContact CB-CG 4.2Å; R171-F181 HydrophobicContact CB-CD1 3.94Å; R171-F181 HydrophobicContact CB-CE1 3.97Å; R171-F181 HydrophobicContact CG-CD1 4.22Å; R171-F181 HydrophobicContact CG-CE1 4.07Å; F181-G183 VanDerWaalsContact CE2-O 3.27Å; F181-G183 WeakPolarHBondContact CE2-O 3.34Å; F181-G183 VanDerWaalsContact CZ-CA 3.49Å; F181-G183 WeakPolarHBondContact CZ-O 3.48Å; F181-I184 HydrophobicContact CZ-CB 4.3Å; F181-M193 HydrophobicContact CD2-CG 4.18Å; F181-M193 HydrophobicContact CE2-CG 4.06Å
182I94.2Very high91.4Very high20 Ų2040.9 Ų40.910%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-100.8-42-179.8-74.6177.2000110.9L102 L134 V145 V194 E196L102-I182 HydrophobicContact CD1-CG2 4.34Å; L134-I182 HydrophobicContact CD2-CG2 3.72Å; V145-I182 HydrophobicContact CB-CD1 4.34Å; V145-I182 HydrophobicContact CG1-CD1 3.6Å; I182-V194 HydrophobicContact CB-CB 4.34Å; I182-V194 HydrophobicContact CB-CG1 4.04Å; I182-V194 WeakPolarHBondContact CB-O 3.29Å; I182-V194 HydrophobicContact CG2-CB 4.25Å; I182-V194 HydrophobicContact CG2-CG1 3.78Å; I182-V194 PolarHBondContact N-O 3.14Å; I182-E196 HydrophobicContact CD1-CB 4.47Å
183G93.6Very high91.5Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans171.8-172.8-177.200000114.6W100 F181 V194W100-G183 CarbonylContact O-C 3.53Å; W100-G183 WeakPolarHBondContact O-CA 3.49Å; F181-G183 VanDerWaalsContact CE2-O 3.27Å; F181-G183 WeakPolarHBondContact CE2-O 3.34Å; F181-G183 VanDerWaalsContact CZ-CA 3.49Å; F181-G183 WeakPolarHBondContact CZ-O 3.48Å; G183-V194 PolarHBondContact N-O 3.44Å; G183-V194 VanDerWaalsContact N-O 3.09Å; G183-V194 PolarHBondContact O-N 3Å
184I92.4Very high91.6Very high4 Ų434.9 Ų34.92%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-141.1133.8179.2-166.7179.5000110.2W100 V101 L102 F163 F164 C167 F181 V186 V191 K192W100-I184 HydrophobicContact CE3-CG2 3.77Å; W100-I184 HydrophobicContact CZ3-CG2 3.73Å; W100-I184 PolarHBondContact O-N 3.28Å; V101-I184 CarbonylContact C-O 3.39Å; L102-I184 PolarHBondContact N-O 3.42Å; F163-I184 HydrophobicContact CE1-CD1 4.2Å; F164-I184 HydrophobicContact CD1-CD1 3.79Å; F164-I184 HydrophobicContact CE1-CD1 3.48Å; F164-I184 VanDerWaalsContact CE1-CD1 3.48Å; C167-I184 HydrophobicContact CB-CD1 4.42Å; F181-I184 HydrophobicContact CZ-CB 4.3Å; I184-V186 HydrophobicContact CD1-CG1 3.74Å; I184-V186 HydrophobicContact CG1-CG1 3.87Å; I184-V186 HydrophobicContact CG2-CG1 4.19Å; I184-V191 HydrophobicContact CD1-CG1 3.86Å; I184-V191 HydrophobicContact CG1-CG1 3.86Å; I184-K192 CarbonylContact C-O 3.57Å; I184-K192 VanDerWaalsContact CA-O 3.28Å; I184-K192 WeakPolarHBondContact CA-O 3.39Å; I184-K192 WeakPolarHBondContact CG1-O 3.5Å
185A91.6Very high91.6Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-104.7108.6170.100000109.9L102 L107 T188 K192L102-A185 HydrophobicContact CB-CB 4.45Å; L102-A185 WeakPolarHBondContact O-CA 3.32Å; L107-A185 HydrophobicContact CD1-CB 3.87Å; A185-T188 HydrophobicContact CB-CG2 4.16Å; A185-K192 HydrophobicContact CB-CB 4.17Å; A185-K192 PolarHBondContact N-O 2.65Å; A185-K192 PolarHBondContact O-N 3.1Å; A185-K192 VanDerWaalsContact O-N 3.13Å
186V87.3Confident91.5Very high40 Ų4029.6 Ų29.624%0.24216%0.16CC..  trans-104-2.2-176.8-61.40000113.3V101 F164 I184 V191V101-V186 HydrophobicContact CG1-CG2 4.28Å; F164-V186 HydrophobicContact CE1-CG1 3.96Å; F164-V186 HydrophobicContact CZ-CG1 4.38Å; I184-V186 HydrophobicContact CD1-CG1 3.74Å; I184-V186 HydrophobicContact CG1-CG1 3.87Å; I184-V186 HydrophobicContact CG2-CG1 4.19Å; V186-V191 HydrophobicContact CG1-CG1 4.13Å
187D86.5Confident91.4Very high83 Ų8326.4 Ų26.444%0.44415%0.146SC..SBendtrans-87.69.117664.6-21.8000112.9Y103 N104Y103-D187 WeakPolarHBondContact CA-OD2 3.23Å; N104-D187 WeakPolarHBondContact CB-OD1 3.43Å; N104-D187 PolarHBondContact N-OD1 2.87Å; N104-D187 PolarHBondContact N-OD2 3.23Å; N104-D187 VanDerWaalsContact N-OD2 3.12Å
188T85.9Confident91.3Very high32 Ų3227.2 Ų27.220%0.19615%0.152CC..SBendtrans-128.5158.7177.2-176.80000110.8N104 A185 P190 K192N104-T188 HydrophobicContact CB-CG2 4.02Å; N104-T188 WeakPolarHBondContact OD1-CG2 3.07Å; A185-T188 HydrophobicContact CB-CG2 4.16Å; T188-P190 CarbonylContact C-O 3.6Å; T188-P190 WeakPolarHBondContact CG2-O 3.48Å; T188-K192 HydrophobicContact CG2-CD 4.01Å; T188-K192 HydrophobicContact CG2-CG 4.03Å
189N81Confident91.1Very high124 Ų12432.5 Ų32.566%0.66318%0.18SC*.SBendtrans-132.4119.7172.2-179.337.6000107.9
190P83.2Confident91.1Very high40 Ų4033.6 Ų33.626%0.2619%0.187SC..SBendcis-60.5152.6-0.423.6-35.4000115.6F149 L150 T188F149-P190 HydrophobicContact CB-CB 4.25Å; F149-P190 HydrophobicContact CB-CG 4.38Å; F149-P190 HydrophobicContact CD1-CB 4.11Å; F149-P190 HydrophobicContact CD1-CG 3.59Å; F149-P190 HydrophobicContact CE1-CG 4.28Å; F149-P190 HydrophobicContact CG-CG 4.38Å; L150-P190 WeakPolarHBondContact O-CB 3.35Å; T188-P190 CarbonylContact C-O 3.6Å; T188-P190 WeakPolarHBondContact CG2-O 3.48Å
191V86.1Confident91Very high20 Ų2033.6 Ų33.612%0.12118%0.184CC..EExtended strand (participates in β ladder)trans-68.1139.6172.7176.90000109.2F149 L150 F163 F164 I184 V186F149-V191 WeakPolarHBondContact CA-O 3.39Å; L150-V191 HydrophobicContact CB-CB 4.31Å; L150-V191 PolarHBondContact N-O 3.24Å; F163-V191 HydrophobicContact CE1-CB 4.29Å; F163-V191 HydrophobicContact CE1-CG1 3.7Å; F163-V191 HydrophobicContact CZ-CG1 4.38Å; F164-V191 HydrophobicContact CE1-CG1 4.43Å; F164-V191 HydrophobicContact CZ-CG1 4.25Å; F164-V191 HydrophobicContact CZ-CG2 4.3Å; I184-V191 HydrophobicContact CD1-CG1 3.86Å; I184-V191 HydrophobicContact CG1-CG1 3.86Å; V186-V191 HydrophobicContact CG1-CG1 4.13Å
192K89.9Confident91.1Very high15 Ų1532.4 Ų32.47%0.06518%0.179CC..EExtended strand (participates in β ladder)trans-110.2122-177.4-65.5175.8176.6176.40111.2N104 L107 Y132 V147 F149 I184 A185 T188N104-K192 WeakPolarHBondContact OD1-CE 3.46Å; N104-K192 PolarHBondContact OD1-NZ 3.04Å; L107-K192 HydrophobicContact CD1-CB 4.46Å; L107-K192 HydrophobicContact CD1-CD 3.89Å; Y132-K192 PolarHBondContact OH-NZ 3.41Å; V147-K192 HydrophobicContact CG1-CB 3.67Å; V147-K192 HydrophobicContact CG1-CD 4.12Å; V147-K192 HydrophobicContact CG1-CG 3.79Å; F149-K192 HydrophobicContact CD1-CG 3.8Å; F149-K192 HydrophobicContact CE1-CD 4.11Å; F149-K192 VanDerWaalsContact CE1-CE 3.49Å; F149-K192 HydrophobicContact CE1-CG 3.72Å; I184-K192 CarbonylContact C-O 3.57Å; I184-K192 VanDerWaalsContact CA-O 3.28Å; I184-K192 WeakPolarHBondContact CA-O 3.39Å; I184-K192 WeakPolarHBondContact CG1-O 3.5Å; A185-K192 HydrophobicContact CB-CB 4.17Å; A185-K192 PolarHBondContact N-O 2.65Å; A185-K192 PolarHBondContact O-N 3.1Å; A185-K192 VanDerWaalsContact O-N 3.13Å; T188-K192 HydrophobicContact CG2-CD 4.01Å; T188-K192 HydrophobicContact CG2-CG 4.03Å
193M91.1Very high91.1Very high0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-92.5126165.1177.8-166-64.700108.1V147 K148 F163 E166 C167 L170 F181 M195V147-M193 CarbonylContact C-O 3.58Å; V147-M193 VanDerWaalsContact CA-O 3.28Å; V147-M193 WeakPolarHBondContact CA-O 3.28Å; K148-M193 HydrophobicContact CB-CB 4.45Å; K148-M193 PolarHBondContact N-O 3.29Å; K148-M193 PolarHBondContact O-N 3.48Å; F163-M193 HydrophobicContact CD2-CE 4.17Å; F163-M193 HydrophobicContact CE1-CB 4.38Å; F163-M193 HydrophobicContact CE2-CB 4.05Å; F163-M193 HydrophobicContact CE2-CE 3.89Å; F163-M193 HydrophobicContact CZ-CB 3.55Å; F163-M193 HydrophobicContact CZ-CE 4.16Å; E166-M193 HydrophobicContact CB-CE 4.07Å; E166-M193 HydrophobicContact CG-CE 3.83Å; C167-M193 WeakPolarHBondContact SG-CE 3.15Å; L170-M193 HydrophobicContact CD1-CE 4.43Å; L170-M193 HydrophobicContact CD1-SD 3.94Å; F181-M193 HydrophobicContact CD2-CG 4.18Å; F181-M193 HydrophobicContact CE2-CG 4.06Å; M193-M195 HydrophobicContact CG-CG 4.19Å; M193-M195 HydrophobicContact CG-SD 4.49Å; M193-M195 HydrophobicContact SD-CG 4.24Å; M193-M195 HydrophobicContact SD-SD 3.82Å
194V94Very high91.1Very high0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-107.1128-177.5-169.40000108.7L102 L107 V145 A146 V147 I182 G183L102-V194 HydrophobicContact CD1-CB 3.95Å; L102-V194 HydrophobicContact CD1-CG1 4.22Å; L102-V194 HydrophobicContact CD1-CG2 3.66Å; L107-V194 HydrophobicContact CD1-CG2 3.81Å; L107-V194 HydrophobicContact CD2-CG1 4.35Å; L107-V194 HydrophobicContact CD2-CG2 4.04Å; V145-V194 HydrophobicContact CB-CG1 3.7Å; V145-V194 HydrophobicContact CG1-CG1 4.11Å; V145-V194 HydrophobicContact CG2-CG1 3.6Å; A146-V194 WeakPolarHBondContact O-CA 3.48Å; V147-V194 HydrophobicContact CG2-CG1 4.44Å; V147-V194 HydrophobicContact CG2-CG2 4.24Å; I182-V194 HydrophobicContact CB-CB 4.34Å; I182-V194 HydrophobicContact CB-CG1 4.04Å; I182-V194 WeakPolarHBondContact CB-O 3.29Å; I182-V194 HydrophobicContact CG2-CB 4.25Å; I182-V194 HydrophobicContact CG2-CG1 3.78Å; I182-V194 PolarHBondContact N-O 3.14Å; G183-V194 PolarHBondContact N-O 3.44Å; G183-V194 VanDerWaalsContact N-O 3.09Å; G183-V194 PolarHBondContact O-N 3Å
195M94.6Very high91.2Very high23 Ų2339.8 Ų39.811%0.11321%0.214CC..EExtended strand (participates in β ladder)trans-133.7164.5-177-60.8175.7-64.100109.8V145 A146 K148 V179 T180 M193 L197V145-M195 WeakPolarHBondContact CB-O 3.43Å; A146-M195 PolarHBondContact N-O 3.49Å; A146-M195 PolarHBondContact O-N 2.93Å; K148-M195 HydrophobicContact CB-CE 3.89Å; V179-M195 HydrophobicContact CG1-CB 3.88Å; V179-M195 HydrophobicContact CG1-CG 4.33Å; V179-M195 HydrophobicContact CG1-SD 4.07Å; T180-M195 WeakPolarHBondContact O-CA 3.44Å; M193-M195 HydrophobicContact CG-CG 4.19Å; M193-M195 HydrophobicContact CG-SD 4.49Å; M193-M195 HydrophobicContact SD-CG 4.24Å; M193-M195 HydrophobicContact SD-SD 3.82Å; M195-L197 PolarHBondContact O-N 2.9Å
196E94.9Very high91.5Very high15 Ų1539.8 Ų39.87%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-57.2140.8170.469175130.900111.4V179 T180 I182 K250 K255V179-E196 HydrophobicContact CG1-CG 4.06Å; T180-E196 VanDerWaalsContact CB-OE1 3.28Å; T180-E196 WeakPolarHBondContact CB-OE1 3.43Å; T180-E196 PolarHBondContact N-OE1 3.32Å; T180-E196 PolarHBondContact O-N 3.47Å; T180-E196 PolarHBondContact OG1-OE1 3.27Å; I182-E196 HydrophobicContact CD1-CB 4.47Å; E196-K250 WeakPolarHBondContact OE2-CD 3.32Å; E196-K250 IonicContact OE2-NZ 3.23Å; E196-K250 PolarHBondContact OE2-NZ 3.25Å; E196-K255 WeakPolarHBondContact OE1-CD 3.25Å; E196-K255 VanDerWaalsContact OE1-CE 3.24Å; E196-K255 WeakPolarHBondContact OE1-CE 3.22Å; E196-K255 IonicContact OE1-NZ 2.88Å; E196-K255 PolarHBondContact OE1-NZ 3.04Å; E196-K255 WeakPolarHBondContact OE2-CE 3.37Å; E196-K255 IonicContact OE2-NZ 3.19Å
197L95.6Very high91.8Very high29 Ų2944.5 Ų44.515%0.15223%0.233CC..  trans-76.6131.7170-174.164.4000109.5L113 E131 K144 A146 M195 K250L113-L197 HydrophobicContact CD1-CD1 3.48Å; L113-L197 VanDerWaalsContact CD1-CD1 3.48Å; E131-L197 HydrophobicContact CG-CD2 3.98Å; K144-L197 HydrophobicContact CB-CD2 3.79Å; K144-L197 HydrophobicContact CD-CD2 4.21Å; A146-L197 HydrophobicContact CB-CD1 4.14Å; M195-L197 PolarHBondContact O-N 2.9Å; L197-K250 PolarHBondContact O-NZ 3.32Å
198C95Very high92.2Very high17 Ų1744.8 Ų44.812%0.11524%0.235CC..  trans-105.8155.2169.6-65.70000109.5L248 L249 K250C198-L248 HydrophobicContact CB-CB 3.73Å; C198-L248 HydrophobicContact CB-CD1 4.03Å; C198-L248 HydrophobicContact CB-CG 4.46Å; C198-L249 CarbonylContact C-O 3.49Å; C198-L249 WeakPolarHBondContact CB-O 3.35Å; C198-K250 HydrophobicContact CB-CB 4.5Å
199D94Very high92.6Very high118 Ų11845.6 Ų45.663%0.63124%0.238SC*.SBendtrans-75.4-34.6-172.5-57.7-45.4000112.5L249 K250 A251D199-L249 PolarHBondContact N-O 3.41Å; D199-K250 WeakPolarHBondContact OD2-CA 3.23Å; D199-A251 PolarHBondContact OD2-N 2.81Å
200T93.2Very high93Very high34 Ų3442.2 Ų42.221%0.20923%0.227CC..EExtended strand (participates in β ladder)trans-158.5170.5178.9-168.90000111.8Y205 L249T200-Y205 HydrophobicContact CG2-CD2 4.44Å; T200-L249 HydrophobicContact CG2-CB 4.01Å; T200-L249 HydrophobicContact CG2-CD1 4.34Å; T200-L249 PolarHBondContact N-O 3.34Å; T200-L249 PolarHBondContact O-N 3.27Å
201N93Very high93.1Very high66 Ų6647.4 Ų47.435%0.35326%0.258SS..EExtended strand (participates in β ladder)trans-92.3154.5166.96468.9000110.9P203 K204 Y205 L248N201-P203 WeakPolarHBondContact OD1-CD 3.45Å; N201-K204 PolarHBondContact O-N 2.98Å; N201-K204 VanDerWaalsContact OD1-CB 3.24Å; N201-K204 WeakPolarHBondContact OD1-CB 3.48Å; N201-K204 PolarHBondContact OD1-N 3.48Å; N201-Y205 PolarHBondContact O-N 3.14Å; N201-L248 HydrophobicContact CB-CD2 3.8Å
202L95.1Very high93.4Very high0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-62.1-42.9-175.1-176.864.4000113.3K204 Y205 L206 L221 A244 C247 L249 L254 L301 I305L202-K204 VanDerWaalsContact C-N 3.35Å; L202-K204 PolarHBondContact O-N 3.34Å; L202-Y205 HydrophobicContact CD1-CD1 4.22Å; L202-Y205 PolarHBondContact O-N 2.91Å; L202-Y205 VanDerWaalsContact O-N 3.16Å; L202-L206 HydrophobicContact CD1-CD1 4.19Å; L202-L206 HydrophobicContact CD1-CD2 4.16Å; L202-L206 HydrophobicContact CD1-CG 3.89Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.85Å; L202-L206 HydrophobicContact CG-CG 4.04Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.37Å; L202-L206 PolarHBondContact O-N 3.45Å; L202-L221 HydrophobicContact CD1-CD1 4.24Å; L202-L221 HydrophobicContact CD1-CD2 4.45Å; L202-A244 HydrophobicContact CD2-CB 4.07Å; L202-A244 HydrophobicContact CG-CB 4.44Å; L202-C247 HydrophobicContact CB-CB 3.72Å; L202-C247 WeakPolarHBondContact CB-O 3.44Å; L202-C247 HydrophobicContact CD2-CB 3.61Å; L202-C247 HydrophobicContact CG-CB 4.31Å; L202-C247 PolarHBondContact N-O 3.07Å; L202-L249 HydrophobicContact CD1-CD1 4.18Å; L202-L254 HydrophobicContact CD1-CD1 4.37Å; L202-L254 HydrophobicContact CD2-CD1 3.91Å; L202-L301 HydrophobicContact CD2-CD1 3.99Å; L202-I305 HydrophobicContact CD2-CD1 4.18Å; L202-I305 HydrophobicContact CD2-CG1 3.98Å
203P94.5Very high93.6Very high43 Ų4350.2 Ų50.228%0.27928%0.279SS..Hα-helixtrans-58.1-44.8177.7-2735.7000112.8N201 L206 H207 A244 R245N201-P203 WeakPolarHBondContact OD1-CD 3.45Å; P203-L206 PolarHBondContact O-N 3.02Å; P203-H207 WeakPolarHBondContact O-CB 3.31Å; P203-H207 PolarHBondContact O-N 3.48Å; P203-A244 WeakPolarHBondContact CD-O 3.29Å; P203-A244 HydrophobicContact CG-CB 4.11Å; P203-R245 HydrophobicContact CG-CB 4.42Å
204K93.3Very high93.8Very high103 Ų10353.4 Ų53.445%0.44830%0.298SS..Hα-helixtrans-61.3-45.9175.3177167.8175.949.60111.4N201 L202 L206 H207 D208N201-K204 PolarHBondContact O-N 2.98Å; N201-K204 VanDerWaalsContact OD1-CB 3.24Å; N201-K204 WeakPolarHBondContact OD1-CB 3.48Å; N201-K204 PolarHBondContact OD1-N 3.48Å; L202-K204 VanDerWaalsContact C-N 3.35Å; L202-K204 PolarHBondContact O-N 3.34Å; K204-L206 PolarHBondContact O-N 3.28Å; K204-H207 PolarHBondContact O-N 3.2Å; K204-D208 WeakPolarHBondContact CE-OD2 3.33Å; K204-D208 VanDerWaalsContact CG-OD2 3.32Å; K204-D208 WeakPolarHBondContact CG-OD2 3.43Å; K204-D208 IonicContact NZ-OD1 3.53Å; K204-D208 PolarHBondContact NZ-OD1 3.44Å; K204-D208 IonicContact NZ-OD2 3.79Å; K204-D208 PolarHBondContact NZ-OD2 3.21Å; K204-D208 VanDerWaalsContact O-CB 3.31Å; K204-D208 WeakPolarHBondContact O-CB 3.43Å; K204-D208 PolarHBondContact O-N 3.26Å
205Y96.2Very high93.9Very high33 Ų3356.1 Ų56.113%0.12931%0.309CS..Hα-helixtrans-60.4-45.8178.1175.2-98.7000112.6T200 N201 L202 N209 L213 R217 L221 L249T200-Y205 HydrophobicContact CG2-CD2 4.44Å; N201-Y205 PolarHBondContact O-N 3.14Å; L202-Y205 HydrophobicContact CD1-CD1 4.22Å; L202-Y205 PolarHBondContact O-N 2.91Å; L202-Y205 VanDerWaalsContact O-N 3.16Å; Y205-N209 WeakPolarHBondContact O-CB 2.93Å; Y205-N209 PolarHBondContact O-N 3.4Å; Y205-N209 VanDerWaalsContact O-N 3.1Å; Y205-N209 PolarHBondContact O-ND2 3.21Å; Y205-L213 HydrophobicContact CD1-CD1 4.43Å; Y205-L213 HydrophobicContact CE1-CD1 4.07Å; Y205-L213 HydrophobicContact CE1-CD2 3.66Å; Y205-L213 HydrophobicContact CE1-CG 4.46Å; Y205-L213 WeakPolarHBondContact OH-CD2 3.47Å; Y205-R217 PolarHBondContact OH-NE 3.14Å; Y205-L221 HydrophobicContact CE1-CD1 4.02Å; Y205-L249 HydrophobicContact CD1-CD1 3.35Å; Y205-L249 HydrophobicContact CD2-CD1 3.57Å; Y205-L249 HydrophobicContact CE1-CD1 3.82Å; Y205-L249 HydrophobicContact CE2-CD1 4.03Å; Y205-L249 HydrophobicContact CG-CD1 3.19Å
206L96.3Very high94Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-62.8-44.2178.9-68.3174.8000111.2L202 P203 K204 N209 A210 L213 L221 I305L202-L206 HydrophobicContact CD1-CD1 4.19Å; L202-L206 HydrophobicContact CD1-CD2 4.16Å; L202-L206 HydrophobicContact CD1-CG 3.89Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.85Å; L202-L206 HydrophobicContact CG-CG 4.04Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.37Å; L202-L206 PolarHBondContact O-N 3.45Å; P203-L206 PolarHBondContact O-N 3.02Å; K204-L206 PolarHBondContact O-N 3.28Å; L206-N209 CarbonylContact O-C 3.5Å; L206-N209 PolarHBondContact O-N 2.89Å; L206-A210 VanDerWaalsContact O-CA 3.29Å; L206-A210 WeakPolarHBondContact O-CA 3.45Å; L206-A210 PolarHBondContact O-N 2.97Å; L206-L213 HydrophobicContact CD2-CD1 3.74Å; L206-L221 HydrophobicContact CD2-CD1 4.33Å; L206-I305 HydrophobicContact CD1-CG1 4.31Å; L206-I305 HydrophobicContact CD2-CG2 4.42Å
207H94.3Very high94.1Very high140 Ų14055.8 Ų55.865%0.64831%0.306SS*.Hα-helixtrans-62.7-51.3176.6176.4-84.4000112P203 K204 N209 A210P203-H207 WeakPolarHBondContact O-CB 3.31Å; P203-H207 PolarHBondContact O-N 3.48Å; K204-H207 PolarHBondContact O-N 3.2Å; H207-N209 PolarHBondContact O-N 3.05Å; H207-A210 PolarHBondContact O-N 3.37Å
208D94.7Very high94.2Very high89 Ų8955.4 Ų55.448%0.47630%0.304SS..Hα-helixtrans-65.5-21.3-177.1-67-9000112.8K204K204-D208 WeakPolarHBondContact CE-OD2 3.33Å; K204-D208 VanDerWaalsContact CG-OD2 3.32Å; K204-D208 WeakPolarHBondContact CG-OD2 3.43Å; K204-D208 IonicContact NZ-OD1 3.53Å; K204-D208 PolarHBondContact NZ-OD1 3.44Å; K204-D208 IonicContact NZ-OD2 3.79Å; K204-D208 PolarHBondContact NZ-OD2 3.21Å; K204-D208 VanDerWaalsContact O-CB 3.31Å; K204-D208 WeakPolarHBondContact O-CB 3.43Å; K204-D208 PolarHBondContact O-N 3.26Å
209N95.1Very high94.4Very high49 Ų4954.6 Ų54.626%0.26230%0.298SS..THydrogen-bonded Turntrans-119.420.9-178-60.3-90.8000112.7Y205 L206 H207 T211 S212 L213Y205-N209 WeakPolarHBondContact O-CB 2.93Å; Y205-N209 PolarHBondContact O-N 3.4Å; Y205-N209 VanDerWaalsContact O-N 3.1Å; Y205-N209 PolarHBondContact O-ND2 3.21Å; L206-N209 CarbonylContact O-C 3.5Å; L206-N209 PolarHBondContact O-N 2.89Å; H207-N209 PolarHBondContact O-N 3.05Å; N209-T211 PolarHBondContact O-N 2.73Å; N209-T211 VanDerWaalsContact O-N 3.07Å; N209-S212 WeakPolarHBondContact CB-OG 3.43Å; N209-S212 PolarHBondContact O-N 3.19Å; N209-S212 PolarHBondContact O-OG 3.38Å; N209-L213 HydrophobicContact CB-CD1 3.96Å; N209-L213 HydrophobicContact CB-CD2 4.3Å; N209-L213 HydrophobicContact CB-CG 3.7Å; N209-L213 VanDerWaalsContact O-CG 3.31Å; N209-L213 WeakPolarHBondContact O-CG 3.43Å; N209-L213 PolarHBondContact O-N 2.95Å
210A87.8Confident94.6Very high53 Ų5351 Ų5144%0.43828%0.277SS..THydrogen-bonded Turntrans-55.5-33.4-171.900000113.4L206 H207L206-A210 VanDerWaalsContact O-CA 3.29Å; L206-A210 WeakPolarHBondContact O-CA 3.45Å; L206-A210 PolarHBondContact O-N 2.97Å; H207-A210 PolarHBondContact O-N 3.37Å
211T86Confident94.8Very high149 Ų14949.4 Ų49.491%0.91427%0.267SS*.THydrogen-bonded Turntrans-91.3-18.7-179.454.80000114.4N209N209-T211 PolarHBondContact O-N 2.73Å; N209-T211 VanDerWaalsContact O-N 3.07Å
212S92.5Very high95.1Very high73 Ų7346.3 Ų46.351%0.5125%0.251SS..THydrogen-bonded Turntrans-104.8-15.8-17459.40000113.8N209 T214N209-S212 WeakPolarHBondContact CB-OG 3.43Å; N209-S212 PolarHBondContact O-N 3.19Å; N209-S212 PolarHBondContact O-OG 3.38Å; S212-T214 PolarHBondContact O-N 3.44Å
213L94.1Very high95.3Very high21 Ų2147 Ų4711%0.1126%0.255CS..  trans-71.2111.5-179.3-77171.2000112.5Y205 L206 N209 R217 K218Y205-L213 HydrophobicContact CD1-CD1 4.43Å; Y205-L213 HydrophobicContact CE1-CD1 4.07Å; Y205-L213 HydrophobicContact CE1-CD2 3.66Å; Y205-L213 HydrophobicContact CE1-CG 4.46Å; Y205-L213 WeakPolarHBondContact OH-CD2 3.47Å; L206-L213 HydrophobicContact CD2-CD1 3.74Å; N209-L213 HydrophobicContact CB-CD1 3.96Å; N209-L213 HydrophobicContact CB-CD2 4.3Å; N209-L213 HydrophobicContact CB-CG 3.7Å; N209-L213 VanDerWaalsContact O-CG 3.31Å; N209-L213 WeakPolarHBondContact O-CG 3.43Å; N209-L213 PolarHBondContact O-N 2.95Å; L213-R217 HydrophobicContact CD2-CB 4.18Å; L213-R217 HydrophobicContact CD2-CG 3.56Å; L213-K218 HydrophobicContact CB-CG 4.44Å
214T95.6Very high95.5Very high66 Ų6646.3 Ų46.341%0.40525%0.248SC..  trans-68.1160.3172.372.90000112S212 V216 R217 K218S212-T214 PolarHBondContact O-N 3.44Å; T214-V216 VanDerWaalsContact C-N 3.27Å; T214-V216 PolarHBondContact O-N 3.36Å; T214-R217 PolarHBondContact O-N 2.98Å; T214-R217 PolarHBondContact OG1-N 3.08Å; T214-K218 WeakPolarHBondContact O-CG 3.43Å; T214-K218 PolarHBondContact O-N 3.4Å
215W96Very high95.8Very high58 Ų5841.4 Ų41.422%0.2223%0.226CC..Hα-helixtrans-63.4-33.5173.3-74.8117.1000112.6K218 A219 M306 P341 D343 T344 P345 L348 L380W215-K218 HydrophobicContact CD2-CD 4.38Å; W215-K218 HydrophobicContact CE3-CB 4.33Å; W215-K218 HydrophobicContact CE3-CD 3.71Å; W215-K218 HydrophobicContact CH2-CD 4.45Å; W215-K218 HydrophobicContact CZ3-CD 3.76Å; W215-K218 PolarHBondContact O-N 2.99Å; W215-A219 WeakPolarHBondContact O-CB 3.33Å; W215-A219 PolarHBondContact O-N 3.1Å; W215-M306 HydrophobicContact CH2-CB 4.4Å; W215-M306 HydrophobicContact CZ3-CB 4.06Å; W215-M306 HydrophobicContact CZ3-CG 4.01Å; W215-P341 HydrophobicContact CH2-CB 4.48Å; W215-D343 VanDerWaalsContact CZ2-C 3.46Å; W215-D343 HydrophobicContact CZ2-CB 4.24Å; W215-D343 VanDerWaalsContact CZ2-O 3.31Å; W215-D343 WeakPolarHBondContact CZ2-O 3.47Å; W215-D343 PolarHBondContact NE1-O 2.86Å; W215-T344 VanDerWaalsContact CH2-CA 3.47Å; W215-T344 HydrophobicContact CH2-CG2 4Å; W215-T344 VanDerWaalsContact CH2-OG1 3.22Å; W215-T344 WeakPolarHBondContact CH2-OG1 3.49Å; W215-T344 VanDerWaalsContact CZ2-CA 3.46Å; W215-T344 HydrophobicContact CZ3-CG2 3.9Å; W215-P345 HydrophobicContact CB-CG 3.9Å; W215-P345 HydrophobicContact CD2-CG 3.92Å; W215-P345 VanDerWaalsContact CE3-CD 3.46Å; W215-P345 HydrophobicContact CE3-CG 4.25Å; W215-P345 HydrophobicContact CG-CG 3.75Å; W215-L348 HydrophobicContact CE3-CD1 4.03Å; W215-L380 HydrophobicContact CB-CD1 4.34Å; W215-L380 HydrophobicContact CB-CD2 4.37Å
216V97Very high95.9Very high8 Ų839.8 Ų39.85%0.04822%0.22CC..Hα-helixtrans-57.8-49.9171.8171.30000110.2T214 K218 A219 E220 L380 K381 E384T214-V216 VanDerWaalsContact C-N 3.27Å; T214-V216 PolarHBondContact O-N 3.36Å; V216-K218 PolarHBondContact O-N 2.96Å; V216-A219 WeakPolarHBondContact O-CB 3.34Å; V216-A219 PolarHBondContact O-N 3.12Å; V216-E220 HydrophobicContact CG1-CG 4.43Å; V216-E220 WeakPolarHBondContact O-CG 3.33Å; V216-E220 PolarHBondContact O-N 3.1Å; V216-L380 HydrophobicContact CG2-CB 3.52Å; V216-K381 HydrophobicContact CG1-CD 4.29Å; V216-K381 VanDerWaalsContact CG1-CE 3.46Å; V216-K381 HydrophobicContact CG1-CG 3.7Å; V216-K381 HydrophobicContact CG2-CG 4.01Å; V216-E384 HydrophobicContact CG2-CG 4.19Å; V216-E384 VanDerWaalsContact CG2-OE1 3.27Å; V216-E384 WeakPolarHBondContact CG2-OE1 3.45Å; V216-E384 WeakPolarHBondContact CG2-OE2 3.3Å
217R97.1Very high96Very high22 Ų2242.3 Ų42.38%0.08323%0.231CC..Hα-helixtrans-64.6-41-178.9-175.857.1-177154.63.4112.3Y205 L213 T214 A219 E220 L221 Q252Y205-R217 PolarHBondContact OH-NE 3.14Å; L213-R217 HydrophobicContact CD2-CB 4.18Å; L213-R217 HydrophobicContact CD2-CG 3.56Å; T214-R217 PolarHBondContact O-N 2.98Å; T214-R217 PolarHBondContact OG1-N 3.08Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-A219 PolarHBondContact O-N 3Å; R217-E220 IonicContact NH1-OE2 3.39Å; R217-E220 PolarHBondContact NH1-OE2 3.1Å; R217-E220 PolarHBondContact O-N 3.14Å; R217-L221 WeakPolarHBondContact O-CG 3.39Å; R217-L221 PolarHBondContact O-N 3.27Å; R217-Q252 PolarHBondContact NH1-O 2.89Å; R217-Q252 VanDerWaalsContact NH1-O 3.16Å; R217-Q252 PolarHBondContact NH2-O 2.9Å
218K97.7Very high96.2Very high22 Ų2235.7 Ų35.710%0.09620%0.2CC..Hα-helixtrans-59.4-43.9173.9-71.6175.1176-175.80111.6L213 T214 W215 V216 L221 C222 I305 M306L213-K218 HydrophobicContact CB-CG 4.44Å; T214-K218 WeakPolarHBondContact O-CG 3.43Å; T214-K218 PolarHBondContact O-N 3.4Å; W215-K218 HydrophobicContact CD2-CD 4.38Å; W215-K218 HydrophobicContact CE3-CB 4.33Å; W215-K218 HydrophobicContact CE3-CD 3.71Å; W215-K218 HydrophobicContact CH2-CD 4.45Å; W215-K218 HydrophobicContact CZ3-CD 3.76Å; W215-K218 PolarHBondContact O-N 2.99Å; V216-K218 PolarHBondContact O-N 2.96Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-C222 PolarHBondContact O-N 3.05Å; K218-C222 VanDerWaalsContact O-N 3.14Å; K218-C222 PolarHBondContact O-SG 3.14Å; K218-I305 HydrophobicContact CB-CG2 3.89Å; K218-I305 HydrophobicContact CG-CG2 4.08Å; K218-M306 PolarHBondContact NZ-O 3.43Å
219A98.2Very high96.4Very high0 Ų031.5 Ų31.50%018%0.178CC..Hα-helixtrans-64.5-40176.300000112.5W215 V216 R217 C222 L223 L348 V377 L380W215-A219 WeakPolarHBondContact O-CB 3.33Å; W215-A219 PolarHBondContact O-N 3.1Å; V216-A219 WeakPolarHBondContact O-CB 3.34Å; V216-A219 PolarHBondContact O-N 3.12Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-A219 PolarHBondContact O-N 3Å; A219-C222 PolarHBondContact O-N 2.84Å; A219-L223 WeakPolarHBondContact O-CB 3.36Å; A219-L223 PolarHBondContact O-N 2.77Å; A219-L348 HydrophobicContact CB-CD1 4.06Å; A219-L348 HydrophobicContact CB-CD2 3.86Å; A219-V377 HydrophobicContact CB-CG2 3.57Å; A219-L380 HydrophobicContact CB-CD1 3.84Å
220E98.3Very high96.5Very high42 Ų4231.1 Ų31.120%0.19618%0.175CC..Hα-helixtrans-62.7-41.7175.5-7417916300112.5V216 R217 L223 Q224 V377 K381V216-E220 HydrophobicContact CG1-CG 4.43Å; V216-E220 WeakPolarHBondContact O-CG 3.33Å; V216-E220 PolarHBondContact O-N 3.1Å; R217-E220 IonicContact NH1-OE2 3.39Å; R217-E220 PolarHBondContact NH1-OE2 3.1Å; R217-E220 PolarHBondContact O-N 3.14Å; E220-L223 WeakPolarHBondContact O-CB 3.49Å; E220-L223 PolarHBondContact O-N 3.23Å; E220-Q224 WeakPolarHBondContact O-CB 3.33Å; E220-Q224 VanDerWaalsContact O-CG 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 2.66Å; E220-V377 HydrophobicContact CG-CG1 3.95Å; E220-V377 HydrophobicContact CG-CG2 4.22Å; E220-K381 WeakPolarHBondContact OE1-CE 3.47Å; E220-K381 IonicContact OE1-NZ 2.64Å; E220-K381 PolarHBondContact OE1-NZ 2.84Å
221L98.6Very high97Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-61.4-46.3175.3-68168.8000111L202 Y205 L206 R217 K218 L223 Q224 A225 L249 L254 I305L202-L221 HydrophobicContact CD1-CD1 4.24Å; L202-L221 HydrophobicContact CD1-CD2 4.45Å; Y205-L221 HydrophobicContact CE1-CD1 4.02Å; L206-L221 HydrophobicContact CD2-CD1 4.33Å; R217-L221 WeakPolarHBondContact O-CG 3.39Å; R217-L221 PolarHBondContact O-N 3.27Å; K218-L221 PolarHBondContact O-N 3.4Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.37Å; L221-Q224 PolarHBondContact O-N 2.79Å; L221-A225 PolarHBondContact O-N 2.83Å; L221-L249 HydrophobicContact CD2-CD2 3.82Å; L221-L254 HydrophobicContact CB-CD1 4.14Å; L221-L254 HydrophobicContact CD2-CB 4.12Å; L221-L254 HydrophobicContact CD2-CD1 4.04Å; L221-I305 HydrophobicContact CB-CD1 4.13Å; L221-I305 HydrophobicContact CB-CG2 4.24Å; L221-I305 HydrophobicContact CD1-CG2 4.24Å
222C98.7Very high97.6Very high2 Ų223.6 Ų23.61%0.01412%0.119CC..Hα-helixtrans-58.8-44.7174-69.30000111.7K218 A219 Q224 A225 A226 F298 L373K218-C222 PolarHBondContact O-N 3.05Å; K218-C222 VanDerWaalsContact O-N 3.14Å; K218-C222 PolarHBondContact O-SG 3.14Å; A219-C222 PolarHBondContact O-N 2.84Å; C222-Q224 PolarHBondContact O-N 2.76Å; C222-A225 PolarHBondContact O-N 2.94Å; C222-A226 WeakPolarHBondContact O-CB 3.42Å; C222-A226 PolarHBondContact O-N 3.05Å; C222-F298 HydrophobicContact CB-CZ 4.36Å; C222-F298 WeakPolarHBondContact O-CZ 3.32Å; C222-L373 HydrophobicContact CB-CD1 4.04Å; C222-L373 HydrophobicContact CB-CD2 3.8Å
223L98.8Very high97.8Very high13 Ų1321.5 Ų21.57%0.06810%0.104CC..Hα-helixtrans-60.8-44.5179175.760.6000111.6A219 E220 L221 A226 K227 R370 L373 Q374 V377A219-L223 WeakPolarHBondContact O-CB 3.36Å; A219-L223 PolarHBondContact O-N 2.77Å; E220-L223 WeakPolarHBondContact O-CB 3.49Å; E220-L223 PolarHBondContact O-N 3.23Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.37Å; L223-A226 PolarHBondContact O-N 2.8Å; L223-K227 WeakPolarHBondContact O-CG 3.48Å; L223-K227 PolarHBondContact O-N 3.26Å; L223-R370 HydrophobicContact CD1-CG 3.74Å; L223-R370 WeakPolarHBondContact CD1-O 3.4Å; L223-L373 HydrophobicContact CB-CB 4.08Å; L223-L373 HydrophobicContact CD1-CB 3.89Å; L223-Q374 HydrophobicContact CD1-CB 4.28Å; L223-V377 HydrophobicContact CB-CG2 4.43Å; L223-V377 HydrophobicContact CD2-CG2 4.11Å
224Q98.8Very high97.9Very high29 Ų2924 Ų2414%0.13612%0.123CC..Hα-helixtrans-65.4-41178.1-73.7179.822.100112.1N177 E220 L221 C222 A226 K227 G228 Q252 L254N177-Q224 WeakPolarHBondContact CB-O 3.24Å; N177-Q224 WeakPolarHBondContact ND2-CB 3.39Å; N177-Q224 PolarHBondContact OD1-O 2.9Å; E220-Q224 WeakPolarHBondContact O-CB 3.33Å; E220-Q224 VanDerWaalsContact O-CG 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 2.66Å; L221-Q224 PolarHBondContact O-N 2.79Å; C222-Q224 PolarHBondContact O-N 2.76Å; Q224-A226 VanDerWaalsContact C-N 3.34Å; Q224-A226 PolarHBondContact O-N 3.14Å; Q224-K227 PolarHBondContact O-N 3.49Å; Q224-G228 PolarHBondContact O-N 3.09Å; Q224-G228 VanDerWaalsContact O-N 3.14Å; Q224-Q252 PolarHBondContact NE2-O 2.94Å; Q224-Q252 PolarHBondContact OE1-O 2.72Å; Q224-L254 HydrophobicContact CB-CB 4.02Å
225A98.8Very high97.8Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-62.2-41.7172.100000111.6L221 C222 G228 M229 L254 L256 F298 L301L221-A225 PolarHBondContact O-N 2.83Å; C222-A225 PolarHBondContact O-N 2.94Å; A225-G228 PolarHBondContact O-N 3.33Å; A225-M229 WeakPolarHBondContact O-CG 3.44Å; A225-M229 PolarHBondContact O-N 3.33Å; A225-L254 HydrophobicContact CB-CD1 4.41Å; A225-L254 HydrophobicContact CB-CD2 3.83Å; A225-L256 HydrophobicContact CB-CD2 4.26Å; A225-F298 HydrophobicContact CB-CE2 3.91Å; A225-L301 HydrophobicContact CB-CD2 3.88Å
226A98.8Very high97.8Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-64-42.1178.300000112.3C222 L223 Q224 G228 M229 E230 F298 I369 R370 L373C222-A226 WeakPolarHBondContact O-CB 3.42Å; C222-A226 PolarHBondContact O-N 3.05Å; L223-A226 PolarHBondContact O-N 2.8Å; Q224-A226 VanDerWaalsContact C-N 3.34Å; Q224-A226 PolarHBondContact O-N 3.14Å; A226-G228 PolarHBondContact O-N 3.07Å; A226-M229 PolarHBondContact O-N 2.99Å; A226-E230 WeakPolarHBondContact O-CB 3.32Å; A226-E230 PolarHBondContact O-N 3.03Å; A226-F298 HydrophobicContact CB-CE2 3.84Å; A226-F298 HydrophobicContact CB-CZ 3.87Å; A226-I369 HydrophobicContact CB-CG2 3.89Å; A226-R370 HydrophobicContact CB-CB 4.47Å; A226-L373 HydrophobicContact CB-CD1 3.79Å
227K98.8Very high97.6Very high53 Ų5325.2 Ų25.223%0.2313%0.128CC..Hα-helixtrans-57.9-45.7172.9-74.5175.4163.9-164.60112E176 N177 L223 Q224 M229 E230 Y231 R370E176-K227 IonicContact OE1-NZ 2.98Å; E176-K227 PolarHBondContact OE1-NZ 2.88Å; N177-K227 WeakPolarHBondContact OD1-CB 3.48Å; L223-K227 WeakPolarHBondContact O-CG 3.48Å; L223-K227 PolarHBondContact O-N 3.26Å; Q224-K227 PolarHBondContact O-N 3.49Å; K227-M229 VanDerWaalsContact C-N 3.34Å; K227-M229 PolarHBondContact O-N 3.01Å; K227-E230 PolarHBondContact O-N 3.31Å; K227-Y231 PolarHBondContact O-N 3.09Å; K227-R370 HydrophobicContact CG-CG 4.14Å
228G98.5Very high97.5Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-60.3-43176.200000112.7Q224 A225 A226 Y231 L232Q224-G228 PolarHBondContact O-N 3.09Å; Q224-G228 VanDerWaalsContact O-N 3.14Å; A225-G228 PolarHBondContact O-N 3.33Å; A226-G228 PolarHBondContact O-N 3.07Å; G228-Y231 PolarHBondContact O-N 3.21Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.33Å
229M98.6Very high97.2Very high1 Ų123.2 Ų23.21%0.00512%0.12CC..Hα-helixtrans-72.4-35178.1-71.1-56.3-56.600113.7A225 A226 K227 Y231 L232 S233 H239 L242 L256 D294 F366A225-M229 WeakPolarHBondContact O-CG 3.44Å; A225-M229 PolarHBondContact O-N 3.33Å; A226-M229 PolarHBondContact O-N 2.99Å; K227-M229 VanDerWaalsContact C-N 3.34Å; K227-M229 PolarHBondContact O-N 3.01Å; M229-Y231 VanDerWaalsContact C-N 3.3Å; M229-Y231 PolarHBondContact O-N 2.84Å; M229-L232 PolarHBondContact O-N 2.91Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; M229-S233 VanDerWaalsContact O-CB 3.3Å; M229-S233 WeakPolarHBondContact O-CB 3.24Å; M229-S233 PolarHBondContact O-N 2.82Å; M229-H239 HydrophobicContact CE-CB 3.94Å; M229-H239 HydrophobicContact SD-CB 4.21Å; M229-L242 HydrophobicContact CE-CD2 4.25Å; M229-L242 HydrophobicContact CG-CD1 4.34Å; M229-L242 HydrophobicContact CG-CD2 3.81Å; M229-L242 HydrophobicContact SD-CD1 3.99Å; M229-L242 HydrophobicContact SD-CD2 3.87Å; M229-L242 HydrophobicContact SD-CG 4.43Å; M229-L256 HydrophobicContact CG-CD1 3.78Å; M229-L256 HydrophobicContact SD-CD1 3.62Å; M229-D294 HydrophobicContact CE-CB 3.61Å; M229-F366 HydrophobicContact CB-CD1 3.42Å; M229-F366 VanDerWaalsContact CB-CD1 3.42Å; M229-F366 HydrophobicContact CB-CD2 3.88Å; M229-F366 HydrophobicContact CB-CE1 3.36Å; M229-F366 HydrophobicContact CB-CE2 3.83Å; M229-F366 HydrophobicContact CB-CG 3.69Å; M229-F366 HydrophobicContact CB-CZ 3.58Å; M229-F366 HydrophobicContact CE-CE1 4.49Å; M229-F366 HydrophobicContact CE-CE2 3.67Å; M229-F366 HydrophobicContact CE-CZ 3.63Å; M229-F366 HydrophobicContact CG-CD1 4.33Å; M229-F366 HydrophobicContact CG-CE1 3.81Å; M229-F366 HydrophobicContact CG-CE2 4.48Å; M229-F366 HydrophobicContact CG-CZ 3.89Å
230E98.5Very high97Very high42 Ų4223.4 Ų23.420%0.19612%0.121CC..Hα-helixtrans-58.6-45.3170.4-178.6-173.5-156.400110.3A226 K227 S233 S234 F366 I367 R370A226-E230 WeakPolarHBondContact O-CB 3.32Å; A226-E230 PolarHBondContact O-N 3.03Å; K227-E230 PolarHBondContact O-N 3.31Å; E230-S233 PolarHBondContact O-N 3.16Å; E230-S234 PolarHBondContact O-N 3.1Å; E230-F366 HydrophobicContact CB-CB 3.9Å; E230-I367 HydrophobicContact CG-CG1 4Å; E230-R370 VanDerWaalsContact CD-NE 3.29Å; E230-R370 IonicContact OE1-CZ 2.79Å; E230-R370 IonicContact OE1-NE 2.95Å; E230-R370 PolarHBondContact OE1-NE 3.06Å; E230-R370 VanDerWaalsContact OE1-NE 3.12Å; E230-R370 IonicContact OE1-NH2 3.31Å; E230-R370 PolarHBondContact OE1-NH2 3.27Å; E230-R370 VanDerWaalsContact OE1-NH2 3.14Å; E230-R370 WeakPolarHBondContact OE2-CD 3.47Å; E230-R370 IonicContact OE2-CZ 2.67Å; E230-R370 IonicContact OE2-NE 3.53Å; E230-R370 PolarHBondContact OE2-NE 3.41Å
231Y98.2Very high96.7Very high44 Ų4422.3 Ų22.317%0.17312%0.116CC..Hα-helixtrans-61.4-49.1174.9176.5-100.1000111.7L173 S174 H175 L178 K227 G228 M229 S233 S234 Q235L173-Y231 HydrophobicContact CB-CE1 4.14Å; L173-Y231 HydrophobicContact CD2-CE1 3.69Å; L173-Y231 HydrophobicContact CG-CE1 4.46Å; S174-Y231 PolarHBondContact N-OH 2.93Å; H175-Y231 HydrophobicContact CB-CD1 3.68Å; H175-Y231 HydrophobicContact CB-CD2 4.36Å; H175-Y231 HydrophobicContact CB-CE1 3.96Å; H175-Y231 HydrophobicContact CB-CG 3.9Å; H175-Y231 AromaticContact CD2-CD2 3.93Å; H175-Y231 AromaticContact CD2-CG 3.73Å; H175-Y231 AromaticContact CG-CG 3.86Å; L178-Y231 HydrophobicContact CD1-CD1 3.58Å; L178-Y231 HydrophobicContact CD1-CE1 3.71Å; L178-Y231 HydrophobicContact CG-CD1 4.46Å; K227-Y231 PolarHBondContact O-N 3.09Å; G228-Y231 PolarHBondContact O-N 3.21Å; M229-Y231 VanDerWaalsContact C-N 3.3Å; M229-Y231 PolarHBondContact O-N 2.84Å; Y231-S233 VanDerWaalsContact C-N 3.33Å; Y231-S233 PolarHBondContact O-N 3.35Å; Y231-S234 WeakPolarHBondContact O-CB 3.32Å; Y231-S234 PolarHBondContact O-N 3.47Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; Y231-S234 PolarHBondContact O-OG 2.7Å; Y231-Q235 HydrophobicContact CD1-CG 4.49Å; Y231-Q235 HydrophobicContact CE1-CG 4.05Å; Y231-Q235 HydrophobicContact CE2-CG 4.19Å; Y231-Q235 WeakPolarHBondContact O-CG 3.5Å; Y231-Q235 PolarHBondContact O-N 3.47Å; Y231-Q235 VanDerWaalsContact O-N 3.1Å
232L97Very high96.6Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-58.7-43.5177-70.8177.9000112.4L173 L178 G228 M229 S234 Q235 N236 I237 L256 L259L173-L232 HydrophobicContact CD1-CD2 3.81Å; L173-L232 HydrophobicContact CD2-CD2 4.46Å; L178-L232 HydrophobicContact CD1-CD2 3.87Å; L178-L232 HydrophobicContact CD1-CG 4.37Å; L178-L232 HydrophobicContact CD2-CD1 4.13Å; L178-L232 HydrophobicContact CD2-CD2 4.32Å; L178-L232 HydrophobicContact CD2-CG 4.14Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.33Å; M229-L232 PolarHBondContact O-N 2.91Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.34Å; L232-Q235 CarbonylContact O-C 3.58Å; L232-Q235 WeakPolarHBondContact O-CA 3.25Å; L232-Q235 PolarHBondContact O-N 3.29Å; L232-Q235 VanDerWaalsContact O-N 3.09Å; L232-N236 PolarHBondContact O-N 3.18Å; L232-I237 HydrophobicContact CB-CB 4.32Å; L232-I237 HydrophobicContact CD2-CB 4.27Å; L232-I237 HydrophobicContact CD2-CD1 4.22Å; L232-I237 HydrophobicContact CD2-CG2 4.16Å; L232-I237 PolarHBondContact O-N 3.16Å; L232-L256 HydrophobicContact CD1-CD1 4.24Å; L232-L259 HydrophobicContact CD1-CD2 4.17Å; L232-L259 HydrophobicContact CD2-CD1 4.32Å
233S96.6Very high96.5Very high29 Ų2922.2 Ų22.220%0.20312%0.116CC..Hα-helixtrans-58.3-44.5174.8178.90000111.4M229 E230 Y231 Q235 N236 E291M229-S233 VanDerWaalsContact O-CB 3.3Å; M229-S233 WeakPolarHBondContact O-CB 3.24Å; M229-S233 PolarHBondContact O-N 2.82Å; E230-S233 PolarHBondContact O-N 3.16Å; Y231-S233 VanDerWaalsContact C-N 3.33Å; Y231-S233 PolarHBondContact O-N 3.35Å; S233-Q235 PolarHBondContact O-N 3.13Å; S233-N236 WeakPolarHBondContact O-CA 3.39Å; S233-N236 PolarHBondContact O-N 2.69Å; S233-E291 PolarHBondContact OG-OE1 2.8Å; S233-E291 PolarHBondContact OG-OE2 2.79Å
234S96.4Very high96.3Very high72 Ų7221.7 Ų21.750%0.50311%0.113SC..Hα-helixtrans-61.3-29.9176.182.60000113.1E230 Y231 L232 N236E230-S234 PolarHBondContact O-N 3.1Å; Y231-S234 WeakPolarHBondContact O-CB 3.32Å; Y231-S234 PolarHBondContact O-N 3.47Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; Y231-S234 PolarHBondContact O-OG 2.7Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.34Å; S234-N236 PolarHBondContact O-N 2.83Å
235Q95Very high96.1Very high78 Ų7824.5 Ų24.536%0.36412%0.122SC..THydrogen-bonded Turntrans-845.4175.3-61-54.4-57.100113L173 Y231 L232 S233 I237L173-Q235 HydrophobicContact CD2-CB 4.24Å; L173-Q235 HydrophobicContact CD2-CG 3.92Å; Y231-Q235 HydrophobicContact CD1-CG 4.49Å; Y231-Q235 HydrophobicContact CE1-CG 4.05Å; Y231-Q235 HydrophobicContact CE2-CG 4.19Å; Y231-Q235 WeakPolarHBondContact O-CG 3.5Å; Y231-Q235 PolarHBondContact O-N 3.47Å; Y231-Q235 VanDerWaalsContact O-N 3.1Å; L232-Q235 CarbonylContact O-C 3.58Å; L232-Q235 WeakPolarHBondContact O-CA 3.25Å; L232-Q235 PolarHBondContact O-N 3.29Å; L232-Q235 VanDerWaalsContact O-N 3.09Å; S233-Q235 PolarHBondContact O-N 3.13Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 HydrophobicContact CB-CD1 3.98Å; Q235-I237 HydrophobicContact CB-CG1 4.06Å; Q235-I237 PolarHBondContact O-N 2.84Å
236N94.2Very high95.9Very high67 Ų6725.1 Ų25.136%0.35813%0.126SC..THydrogen-bonded Turntrans51.848.7-170.5-57.6-85.7000111.2L232 S233 S234 K264 G265 K266L232-N236 PolarHBondContact O-N 3.18Å; S233-N236 WeakPolarHBondContact O-CA 3.39Å; S233-N236 PolarHBondContact O-N 2.69Å; S234-N236 PolarHBondContact O-N 2.83Å; N236-K264 CarbonylContact O-C 3.53Å; N236-K264 VanDerWaalsContact O-CA 3.32Å; N236-K264 WeakPolarHBondContact O-CA 3.48Å; N236-G265 PolarHBondContact O-N 3.17Å; N236-K266 WeakPolarHBondContact OD1-CE 3.03Å; N236-K266 WeakPolarHBondContact OD1-CG 3.42Å
237I94Very high95.8Very high13 Ų1325.1 Ų25.17%0.06713%0.126CC..EExtended strand (participates in β ladder)trans-113.3123.1176.1-63177.1000109L173 L232 Q235 R263L173-I237 HydrophobicContact CD1-CD1 3.85Å; L173-I237 HydrophobicContact CD2-CD1 3.62Å; L173-I237 HydrophobicContact CG-CD1 4.23Å; L232-I237 HydrophobicContact CB-CB 4.32Å; L232-I237 HydrophobicContact CD2-CB 4.27Å; L232-I237 HydrophobicContact CD2-CD1 4.22Å; L232-I237 HydrophobicContact CD2-CG2 4.16Å; L232-I237 PolarHBondContact O-N 3.16Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 HydrophobicContact CB-CD1 3.98Å; Q235-I237 HydrophobicContact CB-CG1 4.06Å; Q235-I237 PolarHBondContact O-N 2.84Å; I237-R263 WeakPolarHBondContact CA-O 3.34Å
238I93.9Very high95.7Very high3 Ų324.7 Ų24.72%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-93.3123.6170.3-48.8159.8000107.5R240 S262 R263 G265 F289 D294I238-R240 HydrophobicContact CB-CG 4.23Å; I238-R240 HydrophobicContact CG2-CG 3.62Å; I238-S262 CarbonylContact O-C 3.58Å; I238-S262 WeakPolarHBondContact O-CA 3.28Å; I238-S262 VanDerWaalsContact O-CB 3.23Å; I238-S262 WeakPolarHBondContact O-CB 3.15Å; I238-R263 PolarHBondContact N-O 2.94Å; I238-R263 PolarHBondContact O-N 3.13Å; I238-G265 WeakPolarHBondContact CG1-O 3.45Å; I238-F289 WeakPolarHBondContact CD1-O 3.5Å; I238-F289 HydrophobicContact CG2-CB 4.14Å; I238-D294 WeakPolarHBondContact CA-OD2 3.32Å; I238-D294 VanDerWaalsContact CG2-OD2 3.31Å; I238-D294 WeakPolarHBondContact CG2-OD2 3.43Å
239H93.1Very high95.6Very high0 Ų024.9 Ų24.90%013%0.127CC..  trans-73.2-47.8-176.4-169.5-45.8000112.1M229 D241 A257 D258 S262 D294M229-H239 HydrophobicContact CE-CB 3.94Å; M229-H239 HydrophobicContact SD-CB 4.21Å; H239-D241 PolarHBondContact CE1-O 2.81Å; H239-D241 PolarHBondContact ND1-N 3.15Å; H239-D241 PolarHBondContact O-N 3.35Å; H239-D241 VanDerWaalsContact O-N 3.15Å; H239-A257 PolarHBondContact NE2-O 3.47Å; H239-D258 PolarHBondContact CE1-O 3.07Å; H239-D258 VanDerWaalsContact CE1-O 3.28Å; H239-S262 PolarHBondContact O-N 3.21Å; H239-D294 PolarHBondContact N-OD2 2.89Å
240R92.6Very high95.4Very high4 Ų428.4 Ų28.42%0.01514%0.142CC..SBendtrans66.6-0.7178.3-52.5-176.654.9-129.8-1.5117.2I238 M261 Y268 F289 D294I238-R240 HydrophobicContact CB-CG 4.23Å; I238-R240 HydrophobicContact CG2-CG 3.62Å; R240-M261 HydrophobicContact CB-CB 4.34Å; R240-M261 WeakPolarHBondContact CD-O 3.23Å; R240-M261 PolarHBondContact NH1-O 2.85Å; R240-M261 VanDerWaalsContact NH1-O 3.16Å; R240-Y268 VanDerWaalsContact CZ-CE1 3.5Å; R240-F289 HydrophobicContact CB-CD1 3.92Å; R240-F289 HydrophobicContact CB-CE1 4.11Å; R240-F289 HydrophobicContact CG-CB 4.04Å; R240-F289 HydrophobicContact CG-CD1 3.59Å; R240-F289 HydrophobicContact CG-CE1 4.27Å; R240-F289 HydrophobicContact CG-CG 3.91Å; R240-F289 VanDerWaalsContact NE-CG 3.29Å; R240-D294 PolarHBondContact N-OD1 3.48Å
241D92.2Very high95.3Very high18 Ų1829.8 Ų29.810%0.09616%0.16CC..  trans-148.937.3-179.6-16325.8000111H239 A243 R245 N246 M261 P277H239-D241 PolarHBondContact CE1-O 2.81Å; H239-D241 PolarHBondContact ND1-N 3.15Å; H239-D241 PolarHBondContact O-N 3.35Å; H239-D241 VanDerWaalsContact O-N 3.15Å; D241-A243 PolarHBondContact O-N 2.84Å; D241-R245 IonicContact OD1-CZ 2.94Å; D241-R245 IonicContact OD1-NH2 3.95Å; D241-R245 PolarHBondContact OD1-NH2 2.67Å; D241-N246 PolarHBondContact O-ND2 3.43Å; D241-N246 PolarHBondContact OD2-ND2 2.63Å; D241-M261 HydrophobicContact CB-CB 4.29Å; D241-M261 HydrophobicContact CB-CG 4.45Å; D241-M261 HydrophobicContact CB-SD 3.91Å; D241-P277 WeakPolarHBondContact OD1-CG 3.18Å
242L96.7Very high95.2Very high1 Ų133.1 Ų33.11%0.00518%0.178CC..  trans-72.8119.1177.9179.966.8000109.6M229 L256 S297 F298 L301M229-L242 HydrophobicContact CE-CD2 4.25Å; M229-L242 HydrophobicContact CG-CD1 4.34Å; M229-L242 HydrophobicContact CG-CD2 3.81Å; M229-L242 HydrophobicContact SD-CD1 3.99Å; M229-L242 HydrophobicContact SD-CD2 3.87Å; M229-L242 HydrophobicContact SD-CG 4.43Å; L242-L256 HydrophobicContact CD1-CD2 3.76Å; L242-S297 WeakPolarHBondContact O-CB 3.49Å; L242-F298 HydrophobicContact CD2-CB 3.73Å; L242-F298 HydrophobicContact CD2-CD2 4.23Å; L242-L301 HydrophobicContact CD1-CD2 3.86Å; L242-L301 HydrophobicContact CD2-CD2 4.43Å; L242-L301 HydrophobicContact CG-CD2 4.07Å
243A96.3Very high95.2Very high0 Ų035.2 Ų35.20%019%0.191CC..SBendtrans-162.9164.3-178.800000110D241 R245 N246 C247 W280D241-A243 PolarHBondContact O-N 2.84Å; A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 HydrophobicContact CB-CG 4.02Å; A243-R245 PolarHBondContact O-N 3.5Å; A243-N246 PolarHBondContact O-N 3.28Å; A243-C247 PolarHBondContact O-SG 3.17Å; A243-C247 VanDerWaalsContact O-SG 3.41Å; A243-W280 HydrophobicContact CB-CD2 4.09Å; A243-W280 HydrophobicContact CB-CG 4.01Å; A243-W280 HydrophobicContact CB-CZ2 4.41Å
244A96.2Very high95.3Very high1 Ų133.8 Ų33.81%0.00818%0.181CC..G310 helixtrans-58.6-39.8179.600000112.2L202 P203 N246 C247 L301 E304L202-A244 HydrophobicContact CD2-CB 4.07Å; L202-A244 HydrophobicContact CG-CB 4.44Å; P203-A244 WeakPolarHBondContact CD-O 3.29Å; P203-A244 HydrophobicContact CG-CB 4.11Å; A244-N246 PolarHBondContact O-N 2.74Å; A244-C247 WeakPolarHBondContact O-CB 3.37Å; A244-C247 PolarHBondContact O-N 3.02Å; A244-L301 HydrophobicContact CB-CD1 3.93Å; A244-E304 HydrophobicContact CB-CB 4Å; A244-E304 HydrophobicContact CB-CG 4.36Å; A244-E304 WeakPolarHBondContact CB-OE1 3.45Å; A244-E304 PolarHBondContact N-OE2 3.25Å
245R93.7Very high95.4Very high88 Ų8831.2 Ų31.233%0.33216%0.16SC..G310 helixtrans-56.1-24.7176.467.2174.6175.8-77-6.7114.6P203 D241 A243 P277 W280P203-R245 HydrophobicContact CG-CB 4.42Å; D241-R245 IonicContact OD1-CZ 2.94Å; D241-R245 IonicContact OD1-NH2 3.95Å; D241-R245 PolarHBondContact OD1-NH2 2.67Å; A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 HydrophobicContact CB-CG 4.02Å; A243-R245 PolarHBondContact O-N 3.5Å; R245-P277 VanDerWaalsContact NH2-CB 3.32Å; R245-W280 VanDerWaalsContact NH1-CH2 3.33Å; R245-W280 VanDerWaalsContact NH1-CZ3 3.33Å
246N94.4Very high95.5Very high14 Ų1427.7 Ų27.78%0.07514%0.144CC..G310 helixtrans-102.115.7179.3-68-21000111.8D241 A243 A244 A257 D258D241-N246 PolarHBondContact O-ND2 3.43Å; D241-N246 PolarHBondContact OD2-ND2 2.63Å; A243-N246 PolarHBondContact O-N 3.28Å; A244-N246 PolarHBondContact O-N 2.74Å; N246-A257 WeakPolarHBondContact O-CA 3.45Å; N246-A257 WeakPolarHBondContact O-CB 3.35Å; N246-A257 PolarHBondContact O-N 3.19Å; N246-D258 HydrophobicContact CB-CB 4.49Å
247C96.3Very high95.3Very high0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-111135.2170.6-61.30000109.6L202 A243 A244 L254L202-C247 HydrophobicContact CB-CB 3.72Å; L202-C247 WeakPolarHBondContact CB-O 3.44Å; L202-C247 HydrophobicContact CD2-CB 3.61Å; L202-C247 HydrophobicContact CG-CB 4.31Å; L202-C247 PolarHBondContact N-O 3.07Å; A243-C247 PolarHBondContact O-SG 3.17Å; A243-C247 VanDerWaalsContact O-SG 3.41Å; A244-C247 WeakPolarHBondContact O-CB 3.37Å; A244-C247 PolarHBondContact O-N 3.02Å; C247-L254 HydrophobicContact CB-CD1 4.3Å; C247-L254 HydrophobicContact CB-CD2 4.39Å; C247-L254 HydrophobicContact CB-CG 4.27Å
248L96.4Very high94.8Very high44 Ų4426 Ų2623%0.2314%0.137CC..EExtended strand (participates in β ladder)trans-116.8162.6176-57.2-179.1000110.2V179 C198 N201 L254 K255 A257V179-L248 HydrophobicContact CG2-CD1 3.85Å; V179-L248 HydrophobicContact CG2-CG 4.49Å; C198-L248 HydrophobicContact CB-CB 3.73Å; C198-L248 HydrophobicContact CB-CD1 4.03Å; C198-L248 HydrophobicContact CB-CG 4.46Å; N201-L248 HydrophobicContact CB-CD2 3.8Å; L248-L254 CarbonylContact O-C 3.56Å; L248-L254 WeakPolarHBondContact O-CA 3.41Å; L248-K255 PolarHBondContact N-O 2.96Å; L248-K255 PolarHBondContact O-N 3.4Å; L248-A257 HydrophobicContact CD1-CB 3.96Å; L248-A257 HydrophobicContact CG-CB 3.97Å
249L96.9Very high94.2Very high3 Ų326 Ų262%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-122.2132.3174.2-80.3166.5000110.9C198 D199 T200 L202 Y205 L221 T253 L254C198-L249 CarbonylContact C-O 3.49Å; C198-L249 WeakPolarHBondContact CB-O 3.35Å; D199-L249 PolarHBondContact N-O 3.41Å; T200-L249 HydrophobicContact CG2-CB 4.01Å; T200-L249 HydrophobicContact CG2-CD1 4.34Å; T200-L249 PolarHBondContact N-O 3.34Å; T200-L249 PolarHBondContact O-N 3.27Å; L202-L249 HydrophobicContact CD1-CD1 4.18Å; Y205-L249 HydrophobicContact CD1-CD1 3.35Å; Y205-L249 HydrophobicContact CD2-CD1 3.57Å; Y205-L249 HydrophobicContact CE1-CD1 3.82Å; Y205-L249 HydrophobicContact CE2-CD1 4.03Å; Y205-L249 HydrophobicContact CG-CD1 3.19Å; L221-L249 HydrophobicContact CD2-CD2 3.82Å; L249-T253 WeakPolarHBondContact CA-O 3.44Å; L249-L254 HydrophobicContact CD2-CB 4.04Å
250K95.9Very high93.4Very high76 Ų7626.3 Ų26.333%0.3314%0.14SC..EExtended strand (participates in β ladder)trans-124.3113.1168.6-174169.8-175.9162.70108.2E196 L197 C198 D199 Q252 T253 K255E196-K250 WeakPolarHBondContact OE2-CD 3.32Å; E196-K250 IonicContact OE2-NZ 3.23Å; E196-K250 PolarHBondContact OE2-NZ 3.25Å; L197-K250 PolarHBondContact O-NZ 3.32Å; C198-K250 HydrophobicContact CB-CB 4.5Å; D199-K250 WeakPolarHBondContact OD2-CA 3.23Å; K250-Q252 PolarHBondContact O-N 3.44Å; K250-T253 PolarHBondContact N-O 2.86Å; K250-T253 WeakPolarHBondContact O-CB 3.39Å; K250-T253 PolarHBondContact O-N 3.38Å; K250-K255 HydrophobicContact CB-CD 4.14Å
251A95.6Very high92.6Very high70 Ų7027.6 Ų27.658%0.57915%0.147SC*.THydrogen-bonded Turntrans48.2-114.5-160.900000110.6D199D199-A251 PolarHBondContact OD2-N 2.81Å
252Q95Very high92.1Very high114 Ų11426.7 Ų26.753%0.53314%0.142SC..THydrogen-bonded Turntrans-99.45.4178.6-60.5-58.5-30.400113.6R217 Q224 K250R217-Q252 PolarHBondContact NH1-O 2.89Å; R217-Q252 VanDerWaalsContact NH1-O 3.16Å; R217-Q252 PolarHBondContact NH2-O 2.9Å; Q224-Q252 PolarHBondContact NE2-O 2.94Å; Q224-Q252 PolarHBondContact OE1-O 2.72Å; K250-Q252 PolarHBondContact O-N 3.44Å
253T98.3Very high91.5Very high44 Ų4429.4 Ų29.427%0.2715%0.152SC..EExtended strand (participates in β ladder)trans-100.9116.3-175.8-55.30000111.2L249 K250 K255L249-T253 WeakPolarHBondContact CA-O 3.44Å; K250-T253 PolarHBondContact N-O 2.86Å; K250-T253 WeakPolarHBondContact O-CB 3.39Å; K250-T253 PolarHBondContact O-N 3.38Å; T253-K255 HydrophobicContact CG2-CG 4.39Å
254L98.4Very high91Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-72.4132.5168.8-177154.6000109.3N177 L202 L221 Q224 A225 C247 L248 L249 L256N177-L254 VanDerWaalsContact CA-O 3.32Å; N177-L254 WeakPolarHBondContact CA-O 3.23Å; N177-L254 WeakPolarHBondContact CB-O 3.48Å; N177-L254 PolarHBondContact ND2-O 3.16Å; L202-L254 HydrophobicContact CD1-CD1 4.37Å; L202-L254 HydrophobicContact CD2-CD1 3.91Å; L221-L254 HydrophobicContact CB-CD1 4.14Å; L221-L254 HydrophobicContact CD2-CB 4.12Å; L221-L254 HydrophobicContact CD2-CD1 4.04Å; Q224-L254 HydrophobicContact CB-CB 4.02Å; A225-L254 HydrophobicContact CB-CD1 4.41Å; A225-L254 HydrophobicContact CB-CD2 3.83Å; C247-L254 HydrophobicContact CB-CD1 4.3Å; C247-L254 HydrophobicContact CB-CD2 4.39Å; C247-L254 HydrophobicContact CB-CG 4.27Å; L248-L254 CarbonylContact O-C 3.56Å; L248-L254 WeakPolarHBondContact O-CA 3.41Å; L249-L254 HydrophobicContact CD2-CB 4.04Å; L254-L256 HydrophobicContact CD2-CD2 4Å
255K98Very high90.6Very high17 Ų1737.8 Ų37.87%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-127.2126.2179.6-69.9173.2169.5-73.60109.7E176 N177 L178 V179 E196 L248 K250 T253E176-K255 PolarHBondContact O-NZ 3.5Å; N177-K255 WeakPolarHBondContact O-CA 3.44Å; L178-K255 PolarHBondContact O-NZ 3.41Å; V179-K255 HydrophobicContact CG2-CB 3.9Å; E196-K255 WeakPolarHBondContact OE1-CD 3.25Å; E196-K255 VanDerWaalsContact OE1-CE 3.24Å; E196-K255 WeakPolarHBondContact OE1-CE 3.22Å; E196-K255 IonicContact OE1-NZ 2.88Å; E196-K255 PolarHBondContact OE1-NZ 3.04Å; E196-K255 WeakPolarHBondContact OE2-CE 3.37Å; E196-K255 IonicContact OE2-NZ 3.19Å; L248-K255 PolarHBondContact N-O 2.96Å; L248-K255 PolarHBondContact O-N 3.4Å; K250-K255 HydrophobicContact CB-CD 4.14Å; T253-K255 HydrophobicContact CG2-CG 4.39Å
256L96.6Very high90.3Very high4 Ų441.1 Ų41.12%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-72.1134.3171.5-50.9174.8000109.2N177 L178 V179 A225 M229 L232 L242 L254N177-L256 PolarHBondContact O-N 3.42Å; L178-L256 HydrophobicContact CD2-CB 3.73Å; L178-L256 HydrophobicContact CD2-CD1 3.91Å; L178-L256 HydrophobicContact CD2-CG 4.17Å; V179-L256 WeakPolarHBondContact CG2-O 3.31Å; V179-L256 PolarHBondContact N-O 2.87Å; A225-L256 HydrophobicContact CB-CD2 4.26Å; M229-L256 HydrophobicContact CG-CD1 3.78Å; M229-L256 HydrophobicContact SD-CD1 3.62Å; L232-L256 HydrophobicContact CD1-CD1 4.24Å; L242-L256 HydrophobicContact CD1-CD2 3.76Å; L254-L256 HydrophobicContact CD2-CD2 4Å
257A90.8Very high90.1Very high16 Ų1645.3 Ų45.313%0.13224%0.235CC..  trans-123.9175.1-17900000110.4V179 H239 N246 L248V179-A257 HydrophobicContact CG2-CB 3.7Å; H239-A257 PolarHBondContact NE2-O 3.47Å; N246-A257 WeakPolarHBondContact O-CA 3.45Å; N246-A257 WeakPolarHBondContact O-CB 3.35Å; N246-A257 PolarHBondContact O-N 3.19Å; L248-A257 HydrophobicContact CD1-CB 3.96Å; L248-A257 HydrophobicContact CG-CB 3.97Å
258D83.5Confident89.6Confident29 Ų2947.1 Ų47.116%0.15524%0.242CC..  trans53.683.3177.5-149.3-35.8000115.5K148 H239 N246 G260K148-D258 IonicContact NZ-OD1 3.49Å; K148-D258 PolarHBondContact NZ-OD1 3.23Å; K148-D258 IonicContact NZ-OD2 3.26Å; K148-D258 PolarHBondContact NZ-OD2 2.95Å; H239-D258 PolarHBondContact CE1-O 3.07Å; H239-D258 VanDerWaalsContact CE1-O 3.28Å; N246-D258 HydrophobicContact CB-CB 4.49Å; D258-G260 VanDerWaalsContact C-N 3.29Å; D258-G260 PolarHBondContact OD1-N 2.91Å
259L82.6Confident89.1Confident3 Ų348.9 Ų48.92%0.01625%0.254CS..  trans-94.820.6172.5-64.9-173.1000111.7E166 R169 L170 L173 L232 M261 S262E166-L259 HydrophobicContact CG-CB 4.35Å; E166-L259 PolarHBondContact OE1-N 2.94Å; R169-L259 PolarHBondContact NH2-O 2.85Å; L170-L259 HydrophobicContact CD2-CB 4.35Å; L170-L259 HydrophobicContact CD2-CD1 3.56Å; L170-L259 HydrophobicContact CD2-CG 4.01Å; L170-L259 HydrophobicContact CG-CD1 4.26Å; L173-L259 HydrophobicContact CD1-CD1 3.44Å; L173-L259 VanDerWaalsContact CD1-CD1 3.44Å; L232-L259 HydrophobicContact CD1-CD2 4.17Å; L232-L259 HydrophobicContact CD2-CD1 4.32Å; L259-M261 VanDerWaalsContact C-N 3.29Å; L259-M261 PolarHBondContact O-N 3.09Å; L259-S262 WeakPolarHBondContact CB-OG 3.27Å; L259-S262 WeakPolarHBondContact O-CB 3.43Å; L259-S262 PolarHBondContact O-N 2.94Å; L259-S262 VanDerWaalsContact O-N 3.17Å; L259-S262 PolarHBondContact O-OG 3.39Å
260G76.1Confident88.2Confident6 Ų650.5 Ų50.56%0.06226%0.262CS..SBendtrans-61-37.4-178.500000112.8E166 D258E166-G260 PolarHBondContact OE1-N 2.84Å; D258-G260 VanDerWaalsContact C-N 3.29Å; D258-G260 PolarHBondContact OD1-N 2.91Å
261M75.4Confident86.9Confident31 Ų3155.3 Ų55.315%0.15329%0.286CS..SBendtrans-87.1-11.9177.9-65.2-170.766.100114.2F122 R240 D241 L259 R263 P275F122-M261 HydrophobicContact CE2-CE 4.42Å; R240-M261 HydrophobicContact CB-CB 4.34Å; R240-M261 WeakPolarHBondContact CD-O 3.23Å; R240-M261 PolarHBondContact NH1-O 2.85Å; R240-M261 VanDerWaalsContact NH1-O 3.16Å; D241-M261 HydrophobicContact CB-CB 4.29Å; D241-M261 HydrophobicContact CB-CG 4.45Å; D241-M261 HydrophobicContact CB-SD 3.91Å; L259-M261 VanDerWaalsContact C-N 3.29Å; L259-M261 PolarHBondContact O-N 3.09Å; M261-R263 PolarHBondContact O-NH1 3.1Å; M261-R263 VanDerWaalsContact O-NH1 3.13Å; M261-P275 WeakPolarHBondContact CE-O 3.3Å
262S80.6Confident85.3Confident0 Ų056 Ų560%029%0.286CS..  trans-65.3154.3-172.769.50000113.6R169 I238 H239 L259R169-S262 PolarHBondContact NE-OG 2.79Å; I238-S262 CarbonylContact O-C 3.58Å; I238-S262 WeakPolarHBondContact O-CA 3.28Å; I238-S262 VanDerWaalsContact O-CB 3.23Å; I238-S262 WeakPolarHBondContact O-CB 3.15Å; H239-S262 PolarHBondContact O-N 3.21Å; L259-S262 WeakPolarHBondContact CB-OG 3.27Å; L259-S262 WeakPolarHBondContact O-CB 3.43Å; L259-S262 PolarHBondContact O-N 2.94Å; L259-S262 VanDerWaalsContact O-N 3.17Å; L259-S262 PolarHBondContact O-OG 3.39Å
263R84.2Confident83.9Confident57 Ų5760.7 Ų60.722%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-136.4138.9-179.1-65.3-67.2-179.1-89.42.9110.3I237 I238 M261 Y268I237-R263 WeakPolarHBondContact CA-O 3.34Å; I238-R263 PolarHBondContact N-O 2.94Å; I238-R263 PolarHBondContact O-N 3.13Å; M261-R263 PolarHBondContact O-NH1 3.1Å; M261-R263 VanDerWaalsContact O-NH1 3.13Å; R263-Y268 HydrophobicContact CB-CD2 4.07Å; R263-Y268 HydrophobicContact CB-CG 4.14Å; R263-Y268 HydrophobicContact CG-CD1 4.16Å; R263-Y268 HydrophobicContact CG-CD2 3.59Å; R263-Y268 HydrophobicContact CG-CE1 4.38Å; R263-Y268 HydrophobicContact CG-CE2 3.82Å; R263-Y268 HydrophobicContact CG-CG 3.76Å
264K85.3Confident82.3Confident151 Ų15162.4 Ų62.466%0.65731%0.308SS*.EExtended strand (participates in β ladder)trans-84.4133.2171.7-169.2173.1-174.7171.80108.8N236N236-K264 CarbonylContact O-C 3.53Å; N236-K264 VanDerWaalsContact O-CA 3.32Å; N236-K264 WeakPolarHBondContact O-CA 3.48Å
265G88.2Confident80.9Confident27 Ų2763.1 Ų63.128%0.27831%0.313SS..SBendtrans130.3163.3-172.800000111.2N236 I238N236-G265 PolarHBondContact O-N 3.17Å; I238-G265 WeakPolarHBondContact CG1-O 3.45Å
266K88.8Confident80.2Confident158 Ų15864 Ų6469%0.68732%0.318SS*.SBendtrans-82.2-31177.3-66.5-176.4177.4-177.90112.7N236 S290N236-K266 WeakPolarHBondContact OD1-CE 3.03Å; N236-K266 WeakPolarHBondContact OD1-CG 3.42Å; K266-S290 WeakPolarHBondContact O-CB 3.11Å
267I89.9Confident79.8Confident102 Ų10264 Ų6452%0.52332%0.318SS..EExtended strand (participates in β ladder)trans-132.5137.7-179.4-56.5179.3000107.6E288 F289I267-E288 HydrophobicContact CG2-CB 4.05Å; I267-E288 HydrophobicContact CG2-CG 4.29Å; I267-F289 CarbonylContact C-O 3.57Å; I267-F289 WeakPolarHBondContact CA-O 3.5Å
268Y86.2Confident79.9Confident38 Ų3865.9 Ų65.915%0.14933%0.326CS..EExtended strand (participates in β ladder)trans-127.7105.8171.9172.2-100.4000109.6R240 R263 M270 E288 F289R240-Y268 VanDerWaalsContact CZ-CE1 3.5Å; R263-Y268 HydrophobicContact CB-CD2 4.07Å; R263-Y268 HydrophobicContact CB-CG 4.14Å; R263-Y268 HydrophobicContact CG-CD1 4.16Å; R263-Y268 HydrophobicContact CG-CD2 3.59Å; R263-Y268 HydrophobicContact CG-CE1 4.38Å; R263-Y268 HydrophobicContact CG-CE2 3.82Å; R263-Y268 HydrophobicContact CG-CG 3.76Å; Y268-M270 HydrophobicContact CD1-CG 4.43Å; Y268-M270 HydrophobicContact CE1-CG 4.01Å; Y268-E288 WeakPolarHBondContact O-CA 3.49Å; Y268-F289 HydrophobicContact CD1-CB 4.32Å; Y268-F289 HydrophobicContact CD1-CD2 4.23Å; Y268-F289 PolarHBondContact N-O 2.72Å; Y268-F289 PolarHBondContact O-N 2.64Å
269T84.7Confident80.3Confident80 Ų8065.5 Ų65.549%0.49132%0.322SS..EExtended strand (participates in β ladder)trans-77129.9173.4-45.50000109.5E271 E288T269-E271 PolarHBondContact O-N 2.69Å; T269-E288 HydrophobicContact CG2-CG 4.26Å; T269-E288 PolarHBondContact OG1-OE1 3.37Å
270M77.7Confident81Confident37 Ų3766.9 Ų66.918%0.18233%0.327CS..  trans-78.4113.1179.1-70-143.6-5900111.5Y268 I276 L287 F289Y268-M270 HydrophobicContact CD1-CG 4.43Å; Y268-M270 HydrophobicContact CE1-CG 4.01Å; M270-I276 HydrophobicContact CE-CG2 4.37Å; M270-I276 HydrophobicContact SD-CG2 4.08Å; M270-L287 PolarHBondContact N-O 2.94Å; M270-L287 VanDerWaalsContact N-O 3.14Å; M270-F289 HydrophobicContact CE-CE2 4.27Å; M270-F289 HydrophobicContact CG-CD2 3.85Å; M270-F289 HydrophobicContact CG-CE2 3.73Å; M270-F289 HydrophobicContact SD-CD2 4.22Å; M270-F289 HydrophobicContact SD-CE2 3.5Å; M270-F289 VanDerWaalsContact SD-CE2 3.5Å; M270-F289 HydrophobicContact SD-CZ 4.43Å
271E69.4Low81.9Confident177 Ų17767 Ų6783%0.82733%0.327SS*.SBendtrans-74.8-22.8177.3-65.1175.3168.900113.9T269T269-E271 PolarHBondContact O-N 2.69Å
272C62.3Low82.8Confident86 Ų8665.8 Ų65.858%0.58132%0.321SS*.SBendtrans-144.2160.4-177.2-67.50000111.2K274C272-K274 PolarHBondContact O-N 3.13Å
273K64.1Low83.3Confident212 Ų21267.3 Ų67.392%0.92233%0.332SS*.  trans-63.563.6172.1-65.1-175.5179.6-178.20112.4
274K66.4Low83.6Confident79 Ų7967.2 Ų67.234%0.34333%0.333SS..  trans-72.1138171.3-70.5-178.1-176.1171.30108F122 C272 I276F122-K274 HydrophobicContact CZ-CB 4.38Å; C272-K274 PolarHBondContact O-N 3.13Å; K274-I276 PolarHBondContact O-N 2.96Å
275P69.1Low83.9Confident16 Ų1660 Ų6010%0.10430%0.302CS..  trans-55.8139172.9-22.330.4000110.5H119 I121 F122 M261H119-P275 HydrophobicContact CB-CB 4.34Å; I121-P275 HydrophobicContact CB-CB 4.12Å; I121-P275 HydrophobicContact CB-CG 3.35Å; I121-P275 HydrophobicContact CD1-CB 4.43Å; I121-P275 HydrophobicContact CD1-CG 4.28Å; I121-P275 HydrophobicContact CG1-CG 4.4Å; I121-P275 HydrophobicContact CG2-CG 3.4Å; I121-P275 VanDerWaalsContact CG2-CG 3.4Å; F122-P275 HydrophobicContact CD1-CG 4.29Å; F122-P275 HydrophobicContact CD2-CB 3.78Å; F122-P275 HydrophobicContact CD2-CG 3.75Å; F122-P275 HydrophobicContact CE1-CG 4.18Å; F122-P275 HydrophobicContact CE2-CB 3.47Å; F122-P275 VanDerWaalsContact CE2-CB 3.47Å; F122-P275 HydrophobicContact CE2-CG 3.63Å; F122-P275 HydrophobicContact CG-CG 4.1Å; F122-P275 HydrophobicContact CZ-CB 4.06Å; F122-P275 HydrophobicContact CZ-CG 3.86Å; M261-P275 WeakPolarHBondContact CE-O 3.3Å
276I81.8Confident83.5Confident34 Ų3464.4 Ų64.417%0.17432%0.318CS..  trans-127.1146.917954164.9000108.2H119 M270 K274 I278 T281 F289H119-I276 PolarHBondContact NE2-O 3.36Å; M270-I276 HydrophobicContact CE-CG2 4.37Å; M270-I276 HydrophobicContact SD-CG2 4.08Å; K274-I276 PolarHBondContact O-N 2.96Å; I276-I278 HydrophobicContact CG1-CG1 4.2Å; I276-I278 PolarHBondContact O-N 3.03Å; I276-T281 HydrophobicContact CD1-CG2 3.85Å; I276-F289 HydrophobicContact CB-CZ 4.42Å; I276-F289 HydrophobicContact CG2-CE2 4.14Å; I276-F289 HydrophobicContact CG2-CZ 3.64Å
277P89.5Confident83.2Confident4 Ų462.9 Ų62.93%0.02632%0.317CS..  trans-72.882176.332.3-36.6000109.5D241 R245 K279 W280 T281D241-P277 WeakPolarHBondContact OD1-CG 3.18Å; R245-P277 VanDerWaalsContact NH2-CB 3.32Å; P277-K279 VanDerWaalsContact C-N 3.28Å; P277-K279 PolarHBondContact O-N 2.85Å; P277-K279 VanDerWaalsContact O-N 3.1Å; P277-W280 HydrophobicContact CB-CB 4.38Å; P277-W280 HydrophobicContact CB-CE3 4.12Å; P277-W280 HydrophobicContact CG-CB 4.46Å; P277-W280 CarbonylContact O-C 3.59Å; P277-W280 WeakPolarHBondContact O-CA 3.36Å; P277-W280 PolarHBondContact O-N 3.13Å; P277-T281 WeakPolarHBondContact O-CB 3.45Å; P277-T281 PolarHBondContact O-N 3.04Å; P277-T281 VanDerWaalsContact O-N 3.1Å; P277-T281 PolarHBondContact O-OG1 3.22Å
278I91.1Very high83.2Confident57 Ų5762.2 Ų62.229%0.29231%0.311SS..G310 helixtrans-47.5-46.9-166.6-70.2150.2000112.6I276 W280 T281 F324 C325 L328I276-I278 HydrophobicContact CG1-CG1 4.2Å; I276-I278 PolarHBondContact O-N 3.03Å; I278-W280 VanDerWaalsContact C-N 3.27Å; I278-W280 PolarHBondContact O-N 3.31Å; I278-T281 PolarHBondContact O-N 3.48Å; I278-T281 VanDerWaalsContact O-N 3.14Å; I278-F324 HydrophobicContact CG2-CD1 4.47Å; I278-F324 HydrophobicContact CG2-CE1 4.21Å; I278-C325 WeakPolarHBondContact CD1-SG 3.3Å; I278-L328 HydrophobicContact CG2-CD2 3.79Å
279K94Very high83.5Confident20 Ų2060.5 Ų60.59%0.08731%0.305CS..G310 helixtrans-64.3-25.5-179.9-65176.9172.4-164.50114.4P277 P312 Y313 E317 F324P277-K279 VanDerWaalsContact C-N 3.28Å; P277-K279 PolarHBondContact O-N 2.85Å; P277-K279 VanDerWaalsContact O-N 3.1Å; K279-P312 HydrophobicContact CB-CB 4.37Å; K279-P312 VanDerWaalsContact CD-O 3.31Å; K279-P312 WeakPolarHBondContact CD-O 3.35Å; K279-P312 WeakPolarHBondContact CE-O 3.46Å; K279-P312 PolarHBondContact NZ-O 3.34Å; K279-Y313 HydrophobicContact CB-CD2 4.07Å; K279-Y313 HydrophobicContact CB-CE2 4.42Å; K279-Y313 HydrophobicContact CG-CD2 4.22Å; K279-Y313 VanDerWaalsContact O-CE2 3.29Å; K279-Y313 WeakPolarHBondContact O-CE2 2.94Å; K279-E317 WeakPolarHBondContact CE-OE1 3.17Å; K279-E317 IonicContact NZ-OE1 2.82Å; K279-E317 PolarHBondContact NZ-OE1 2.92Å; K279-E317 IonicContact NZ-OE2 2.65Å; K279-E317 PolarHBondContact NZ-OE2 3.42Å; K279-F324 HydrophobicContact CD-CE1 4.49Å; K279-F324 HydrophobicContact CD-CZ 4.22Å; K279-F324 HydrophobicContact CG-CE1 3.73Å; K279-F324 HydrophobicContact CG-CZ 3.73Å
280W96.3Very high84Confident32 Ų3258 Ų5812%0.12129%0.291CS..G310 helixtrans-99.6-2.4178.1-68.1-99.5000112.6A243 R245 P277 I278 S297 V300 E304 P312A243-W280 HydrophobicContact CB-CD2 4.09Å; A243-W280 HydrophobicContact CB-CG 4.01Å; A243-W280 HydrophobicContact CB-CZ2 4.41Å; R245-W280 VanDerWaalsContact NH1-CH2 3.33Å; R245-W280 VanDerWaalsContact NH1-CZ3 3.33Å; P277-W280 HydrophobicContact CB-CB 4.38Å; P277-W280 HydrophobicContact CB-CE3 4.12Å; P277-W280 HydrophobicContact CG-CB 4.46Å; P277-W280 CarbonylContact O-C 3.59Å; P277-W280 WeakPolarHBondContact O-CA 3.36Å; P277-W280 PolarHBondContact O-N 3.13Å; I278-W280 VanDerWaalsContact C-N 3.27Å; I278-W280 PolarHBondContact O-N 3.31Å; W280-S297 WeakPolarHBondContact O-CA 2.94Å; W280-S297 WeakPolarHBondContact O-CB 3.3Å; W280-S297 PolarHBondContact O-OG 3.26Å; W280-V300 HydrophobicContact CD2-CG1 4.4Å; W280-V300 HydrophobicContact CG-CB 4.4Å; W280-V300 HydrophobicContact CG-CG1 3.98Å; W280-E304 WeakPolarHBondContact CZ2-OE1 3.47Å; W280-E304 VanDerWaalsContact NE1-CD 3.33Å; W280-E304 PolarHBondContact NE1-OE2 2.95Å; W280-P312 HydrophobicContact CH2-CG 4.37Å; W280-P312 HydrophobicContact CZ2-CG 3.79Å
281T94.4Very high84.9Confident10 Ų1058.7 Ų58.76%0.06129%0.293CS..SBendtrans-105.8128.9-171.8-57.30000109.5I276 P277 I278 A285 F289I276-T281 HydrophobicContact CD1-CG2 3.85Å; P277-T281 WeakPolarHBondContact O-CB 3.45Å; P277-T281 PolarHBondContact O-N 3.04Å; P277-T281 VanDerWaalsContact O-N 3.1Å; P277-T281 PolarHBondContact O-OG1 3.22Å; I278-T281 PolarHBondContact O-N 3.48Å; I278-T281 VanDerWaalsContact O-N 3.14Å; T281-A285 HydrophobicContact CG2-CB 3.44Å; T281-A285 VanDerWaalsContact CG2-CB 3.44Å; T281-F289 HydrophobicContact CG2-CE1 4.2Å; T281-F289 HydrophobicContact CG2-CZ 4.14Å
282P94.7Very high86.2Confident4 Ų453.3 Ų53.33%0.02627%0.265CS..  trans-72.1157.4177.330.9-35.6000111.6E284 A285 T293 W296P282-E284 VanDerWaalsContact C-N 3.28Å; P282-E284 VanDerWaalsContact CB-OE1 3.29Å; P282-E284 WeakPolarHBondContact CB-OE1 3.32Å; P282-E284 WeakPolarHBondContact CB-OE2 3.4Å; P282-E284 WeakPolarHBondContact CG-OE1 3.22Å; P282-E284 PolarHBondContact O-N 2.95Å; P282-A285 HydrophobicContact CG-CB 3.99Å; P282-A285 WeakPolarHBondContact O-CB 3.45Å; P282-A285 PolarHBondContact O-N 3.39Å; P282-A285 VanDerWaalsContact O-N 3.11Å; P282-T293 HydrophobicContact CG-CG2 3.91Å; P282-W296 HydrophobicContact CB-CB 3.8Å; P282-W296 HydrophobicContact CB-CD2 3.51Å; P282-W296 HydrophobicContact CB-CE3 3.77Å; P282-W296 HydrophobicContact CB-CG 3.52Å; P282-W296 HydrophobicContact CB-CZ3 4.46Å; P282-W296 HydrophobicContact CG-CB 3.87Å; P282-W296 HydrophobicContact CG-CG 4.03Å
283P90.9Very high87.9Confident33 Ų3349.3 Ų49.321%0.21424%0.238CC..G310 helixtrans-54-37.7-176.9-29.537000115A285 L329 L332 I358P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.41Å; P283-L329 HydrophobicContact CB-CD1 3.73Å; P283-L329 HydrophobicContact CG-CD1 4.17Å; P283-L332 HydrophobicContact CG-CB 4.39Å; P283-L332 HydrophobicContact CG-CD1 3.92Å; P283-I358 HydrophobicContact CG-CD1 4.2Å
284E91Very high89.5Confident54 Ų5439.3 Ų39.325%0.25220%0.195SC..G310 helixtrans-73.3-17.3-17775.8-74.8171.700114.3P282 I286 L287 P360 R363P282-E284 VanDerWaalsContact C-N 3.28Å; P282-E284 VanDerWaalsContact CB-OE1 3.29Å; P282-E284 WeakPolarHBondContact CB-OE1 3.32Å; P282-E284 WeakPolarHBondContact CB-OE2 3.4Å; P282-E284 WeakPolarHBondContact CG-OE1 3.22Å; P282-E284 PolarHBondContact O-N 2.95Å; E284-I286 PolarHBondContact O-N 3.36Å; E284-L287 PolarHBondContact O-N 2.89Å; E284-P360 HydrophobicContact CG-CG 3.77Å; E284-R363 VanDerWaalsContact CD-NH2 3.26Å; E284-R363 IonicContact OE1-CZ 2.83Å; E284-R363 IonicContact OE1-NH1 2.69Å; E284-R363 PolarHBondContact OE1-NH1 3.35Å; E284-R363 IonicContact OE1-NH2 3.73Å; E284-R363 PolarHBondContact OE1-NH2 2.92Å; E284-R363 IonicContact OE2-NH2 2.73Å; E284-R363 PolarHBondContact OE2-NH2 3.38Å
285A90.5Very high91Very high0 Ų035.5 Ų35.50%018%0.178CC..G310 helixtrans-69.9-1.7-176.800000113.8T281 P282 P283 L287 E288 F289 T293T281-A285 HydrophobicContact CG2-CB 3.44Å; T281-A285 VanDerWaalsContact CG2-CB 3.44Å; P282-A285 HydrophobicContact CG-CB 3.99Å; P282-A285 WeakPolarHBondContact O-CB 3.45Å; P282-A285 PolarHBondContact O-N 3.39Å; P282-A285 VanDerWaalsContact O-N 3.11Å; P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.41Å; A285-L287 PolarHBondContact O-N 3.17Å; A285-E288 WeakPolarHBondContact CA-O 3.39Å; A285-F289 HydrophobicContact CB-CD1 4.31Å; A285-F289 HydrophobicContact CB-CE1 4.02Å; A285-F289 HydrophobicContact CB-CE2 4.26Å; A285-F289 HydrophobicContact CB-CZ 3.97Å; A285-F289 WeakPolarHBondContact O-CE2 3.48Å; A285-T293 HydrophobicContact CB-CG2 3.81Å
286I81.5Confident92.4Very high120 Ų12034.8 Ų34.862%0.61517%0.174SC*.G310 helixtrans-60.8-31.5169.5-163.1167.5000112.2E284E284-I286 PolarHBondContact O-N 3.36Å
287L81.4Confident93.2Very high125 Ų12533.4 Ų33.465%0.65417%0.167SC*.THydrogen-bonded Turntrans-92.5-54.5178.2-58.8176.8000110.7M270 E284 A285M270-L287 PolarHBondContact N-O 2.94Å; M270-L287 VanDerWaalsContact N-O 3.14Å; E284-L287 PolarHBondContact O-N 2.89Å; A285-L287 PolarHBondContact O-N 3.17Å
288E89.5Confident93.7Very high88 Ų8833.3 Ų33.341%0.41117%0.166SC..EExtended strand (participates in β ladder)trans-145.4138-167.4-57.8-168.2138.100112.3I267 Y268 T269 A285I267-E288 HydrophobicContact CG2-CB 4.05Å; I267-E288 HydrophobicContact CG2-CG 4.29Å; Y268-E288 WeakPolarHBondContact O-CA 3.49Å; T269-E288 HydrophobicContact CG2-CG 4.26Å; T269-E288 PolarHBondContact OG1-OE1 3.37Å; A285-E288 WeakPolarHBondContact CA-O 3.39Å
289F92.7Very high94Very high3 Ų330.6 Ų30.61%0.01315%0.152CC..EExtended strand (participates in β ladder)trans-96.9145.6170-74.8-98.9000110.3I238 R240 I267 Y268 M270 I276 T281 A285I238-F289 WeakPolarHBondContact CD1-O 3.5Å; I238-F289 HydrophobicContact CG2-CB 4.14Å; R240-F289 HydrophobicContact CB-CD1 3.92Å; R240-F289 HydrophobicContact CB-CE1 4.11Å; R240-F289 HydrophobicContact CG-CB 4.04Å; R240-F289 HydrophobicContact CG-CD1 3.59Å; R240-F289 HydrophobicContact CG-CE1 4.27Å; R240-F289 HydrophobicContact CG-CG 3.91Å; R240-F289 VanDerWaalsContact NE-CG 3.29Å; I267-F289 CarbonylContact C-O 3.57Å; I267-F289 WeakPolarHBondContact CA-O 3.5Å; Y268-F289 HydrophobicContact CD1-CB 4.32Å; Y268-F289 HydrophobicContact CD1-CD2 4.23Å; Y268-F289 PolarHBondContact N-O 2.72Å; Y268-F289 PolarHBondContact O-N 2.64Å; M270-F289 HydrophobicContact CE-CE2 4.27Å; M270-F289 HydrophobicContact CG-CD2 3.85Å; M270-F289 HydrophobicContact CG-CE2 3.73Å; M270-F289 HydrophobicContact SD-CD2 4.22Å; M270-F289 HydrophobicContact SD-CE2 3.5Å; M270-F289 VanDerWaalsContact SD-CE2 3.5Å; M270-F289 HydrophobicContact SD-CZ 4.43Å; I276-F289 HydrophobicContact CB-CZ 4.42Å; I276-F289 HydrophobicContact CG2-CE2 4.14Å; I276-F289 HydrophobicContact CG2-CZ 3.64Å; T281-F289 HydrophobicContact CG2-CE1 4.2Å; T281-F289 HydrophobicContact CG2-CZ 4.14Å; A285-F289 HydrophobicContact CB-CD1 4.31Å; A285-F289 HydrophobicContact CB-CE1 4.02Å; A285-F289 HydrophobicContact CB-CE2 4.26Å; A285-F289 HydrophobicContact CB-CZ 3.97Å; A285-F289 WeakPolarHBondContact O-CE2 3.48Å
290S95.2Very high94.2Very high28 Ų2829.6 Ų29.620%0.19615%0.148CC..EExtended strand (participates in β ladder)trans-153.2178.6176.865.70000110.9K266 R292 T293 D294K266-S290 WeakPolarHBondContact O-CB 3.11Å; S290-R292 PolarHBondContact O-N 3.38Å; S290-R292 PolarHBondContact OG-N 3.28Å; S290-T293 PolarHBondContact N-OG1 2.94Å; S290-T293 PolarHBondContact O-N 2.74Å; S290-T293 PolarHBondContact O-OG1 3.35Å; S290-D294 PolarHBondContact O-N 3.32Å
291E96.7Very high94.3Very high51 Ų5128.1 Ų28.124%0.23814%0.142CC..Hα-helixtrans-51.2-39168.2-178.4-171.1-165.900111.4S233 T293 D294 V295 F366S233-E291 PolarHBondContact OG-OE1 2.8Å; S233-E291 PolarHBondContact OG-OE2 2.79Å; E291-T293 PolarHBondContact O-N 3.18Å; E291-D294 PolarHBondContact O-N 2.86Å; E291-D294 VanDerWaalsContact O-N 3.11Å; E291-V295 WeakPolarHBondContact O-CG2 3.24Å; E291-V295 PolarHBondContact O-N 3.16Å; E291-F366 HydrophobicContact CG-CD2 3.78Å; E291-F366 HydrophobicContact CG-CE2 3.91Å; E291-F366 PolarHBondContact OE1-N 2.82Å
292R97.5Very high94.5Very high64 Ų6427.8 Ų27.824%0.24214%0.14CC..Hα-helixtrans-66.4-27.9-178.9-56.1-53.5-176.1114.7-6112.7S290 W296 P360 N361 R363S290-R292 PolarHBondContact O-N 3.38Å; S290-R292 PolarHBondContact OG-N 3.28Å; R292-W296 PolarHBondContact O-N 2.87Å; R292-P360 HydrophobicContact CB-CB 3.94Å; R292-P360 HydrophobicContact CG-CB 4.43Å; R292-P360 PolarHBondContact NH1-O 2.85Å; R292-N361 PolarHBondContact NH1-O 3.1Å; R292-R363 PolarHBondContact NH1-O 2.77Å; R292-R363 WeakPolarHBondContact O-CD 3.39Å; R292-R363 PolarHBondContact O-NH1 2.98Å
293T97.4Very high94.7Very high2 Ų228.7 Ų28.71%0.01214%0.143CC..Hα-helixtrans-73-38.3173.862.10000111.3P282 A285 S290 E291 V295 W296 S297P282-T293 HydrophobicContact CG-CG2 3.91Å; A285-T293 HydrophobicContact CB-CG2 3.81Å; S290-T293 PolarHBondContact N-OG1 2.94Å; S290-T293 PolarHBondContact O-N 2.74Å; S290-T293 PolarHBondContact O-OG1 3.35Å; E291-T293 PolarHBondContact O-N 3.18Å; T293-V295 VanDerWaalsContact C-N 3.3Å; T293-V295 PolarHBondContact O-N 2.86Å; T293-W296 WeakPolarHBondContact O-CB 3.35Å; T293-W296 PolarHBondContact O-N 3.27Å; T293-S297 PolarHBondContact O-N 2.89Å; T293-S297 PolarHBondContact O-OG 2.94Å
294D98Very high95Very high1 Ų127.8 Ų27.81%0.00514%0.136CC..Hα-helixtrans-67.8-31.1174.2-70.4-24.9000112.2M229 I238 H239 R240 S290 E291 W296 S297 F298 F366M229-D294 HydrophobicContact CE-CB 3.61Å; I238-D294 WeakPolarHBondContact CA-OD2 3.32Å; I238-D294 VanDerWaalsContact CG2-OD2 3.31Å; I238-D294 WeakPolarHBondContact CG2-OD2 3.43Å; H239-D294 PolarHBondContact N-OD2 2.89Å; R240-D294 PolarHBondContact N-OD1 3.48Å; S290-D294 PolarHBondContact O-N 3.32Å; E291-D294 PolarHBondContact O-N 2.86Å; E291-D294 VanDerWaalsContact O-N 3.11Å; D294-W296 VanDerWaalsContact C-N 3.3Å; D294-W296 PolarHBondContact O-N 3.13Å; D294-S297 CarbonylContact O-C 3.54Å; D294-S297 WeakPolarHBondContact O-CB 3.45Å; D294-S297 PolarHBondContact O-N 3.39Å; D294-F298 PolarHBondContact O-N 3.09Å; D294-F366 HydrophobicContact CB-CE2 4.05Å; D294-F366 HydrophobicContact CB-CZ 4.03Å
295V98.6Very high95.4Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-61-39.81731700000111.2E291 T293 F298 G299 C355 R363 P364 F366 I369E291-V295 WeakPolarHBondContact O-CG2 3.24Å; E291-V295 PolarHBondContact O-N 3.16Å; T293-V295 VanDerWaalsContact C-N 3.3Å; T293-V295 PolarHBondContact O-N 2.86Å; V295-F298 WeakPolarHBondContact O-CB 3.4Å; V295-F298 PolarHBondContact O-N 3.35Å; V295-G299 PolarHBondContact O-N 2.96Å; V295-C355 HydrophobicContact CG1-CB 3.9Å; V295-C355 WeakPolarHBondContact O-CB 3.37Å; V295-R363 HydrophobicContact CG1-CB 3.81Å; V295-P364 WeakPolarHBondContact CG1-O 3.45Å; V295-P364 WeakPolarHBondContact CG2-O 3.35Å; V295-F366 HydrophobicContact CB-CZ 4.44Å; V295-F366 HydrophobicContact CG2-CD2 4.13Å; V295-F366 HydrophobicContact CG2-CE1 4.22Å; V295-F366 HydrophobicContact CG2-CE2 3.74Å; V295-F366 HydrophobicContact CG2-CZ 3.78Å; V295-I369 HydrophobicContact CG1-CD1 3.82Å; V295-I369 HydrophobicContact CG2-CD1 4.09Å
296W98.4Very high95.6Very high1 Ų125.4 Ų25.40%0.00413%0.125CC..Hα-helixtrans-61.6-48.2173178-76.4000111.2P282 R292 T293 D294 F298 G299 V300 L332 C355 M356P282-W296 HydrophobicContact CB-CB 3.8Å; P282-W296 HydrophobicContact CB-CD2 3.51Å; P282-W296 HydrophobicContact CB-CE3 3.77Å; P282-W296 HydrophobicContact CB-CG 3.52Å; P282-W296 HydrophobicContact CB-CZ3 4.46Å; P282-W296 HydrophobicContact CG-CB 3.87Å; P282-W296 HydrophobicContact CG-CG 4.03Å; R292-W296 PolarHBondContact O-N 2.87Å; T293-W296 WeakPolarHBondContact O-CB 3.35Å; T293-W296 PolarHBondContact O-N 3.27Å; D294-W296 VanDerWaalsContact C-N 3.3Å; D294-W296 PolarHBondContact O-N 3.13Å; W296-F298 PolarHBondContact O-N 2.86Å; W296-G299 WeakPolarHBondContact O-CA 3.47Å; W296-G299 PolarHBondContact O-N 3.04Å; W296-V300 PolarHBondContact O-N 2.94Å; W296-V300 VanDerWaalsContact O-N 3.14Å; W296-L332 HydrophobicContact CH2-CD1 4.08Å; W296-L332 HydrophobicContact CH2-CD2 3.95Å; W296-L332 HydrophobicContact CH2-CG 4.48Å; W296-L332 HydrophobicContact CZ2-CD1 3.71Å; W296-L332 HydrophobicContact CZ2-CD2 3.83Å; W296-L332 HydrophobicContact CZ2-CG 4.38Å; W296-C355 WeakPolarHBondContact CA-O 3.28Å; W296-M356 HydrophobicContact CD2-CB 4.25Å; W296-M356 HydrophobicContact CD2-CG 4.22Å; W296-M356 HydrophobicContact CE3-CB 4.04Å; W296-M356 HydrophobicContact CE3-CG 4.49Å; W296-M356 HydrophobicContact CH2-CB 4.42Å; W296-M356 HydrophobicContact CZ3-CB 4.14Å; W296-M356 WeakPolarHBondContact CZ3-O 3.46Å
297S98.3Very high96.3Very high5 Ų521.8 Ų21.84%0.03511%0.109CC..Hα-helixtrans-57.4-35.7176.4-52.10000111.9L242 W280 T293 D294 V300 L301L242-S297 WeakPolarHBondContact O-CB 3.49Å; W280-S297 WeakPolarHBondContact O-CA 2.94Å; W280-S297 WeakPolarHBondContact O-CB 3.3Å; W280-S297 PolarHBondContact O-OG 3.26Å; T293-S297 PolarHBondContact O-N 2.89Å; T293-S297 PolarHBondContact O-OG 2.94Å; D294-S297 CarbonylContact O-C 3.54Å; D294-S297 WeakPolarHBondContact O-CB 3.45Å; D294-S297 PolarHBondContact O-N 3.39Å; S297-V300 PolarHBondContact O-N 3.26Å; S297-L301 PolarHBondContact O-N 2.91Å
298F98.8Very high96.9Very high1 Ų116.5 Ų16.50%0.0048%0.084CC..Hα-helixtrans-64.1-39.6173-179.5-87.9000112.2C222 A225 A226 L242 D294 V295 W296 V300 L301 A302 F366 I369 L373C222-F298 HydrophobicContact CB-CZ 4.36Å; C222-F298 WeakPolarHBondContact O-CZ 3.32Å; A225-F298 HydrophobicContact CB-CE2 3.91Å; A226-F298 HydrophobicContact CB-CE2 3.84Å; A226-F298 HydrophobicContact CB-CZ 3.87Å; L242-F298 HydrophobicContact CD2-CB 3.73Å; L242-F298 HydrophobicContact CD2-CD2 4.23Å; D294-F298 PolarHBondContact O-N 3.09Å; V295-F298 WeakPolarHBondContact O-CB 3.4Å; V295-F298 PolarHBondContact O-N 3.35Å; W296-F298 PolarHBondContact O-N 2.86Å; F298-V300 VanDerWaalsContact C-N 3.3Å; F298-V300 PolarHBondContact O-N 3.16Å; F298-L301 HydrophobicContact CD2-CD2 4.47Å; F298-L301 PolarHBondContact O-N 3.04Å; F298-A302 HydrophobicContact CE1-CB 4.39Å; F298-A302 WeakPolarHBondContact O-CB 3.39Å; F298-A302 PolarHBondContact O-N 3.09Å; F298-F366 HydrophobicContact CB-CE1 3.82Å; F298-F366 HydrophobicContact CB-CZ 4.26Å; F298-F366 HydrophobicContact CD2-CE1 4.04Å; F298-F366 AromaticContact CG-CE1 3.94Å; F298-F366 HydrophobicContact CG-CE1 3.94Å; F298-I369 HydrophobicContact CD1-CD1 4.36Å; F298-I369 HydrophobicContact CD1-CG2 4.05Å; F298-I369 HydrophobicContact CE1-CG2 3.46Å; F298-I369 VanDerWaalsContact CE1-CG2 3.46Å; F298-I369 HydrophobicContact CZ-CG2 3.82Å; F298-L373 HydrophobicContact CE1-CD1 4.15Å; F298-L373 HydrophobicContact CZ-CD1 3.68Å
299G98.6Very high97.1Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-59.6-40.4173.300000112.6V295 W296 A302 W303 M352V295-G299 PolarHBondContact O-N 2.96Å; W296-G299 WeakPolarHBondContact O-CA 3.47Å; W296-G299 PolarHBondContact O-N 3.04Å; G299-A302 PolarHBondContact O-N 3.29Å; G299-W303 PolarHBondContact O-N 3.49Å; G299-W303 VanDerWaalsContact O-N 3.08Å; G299-M352 WeakPolarHBondContact O-CG 3.25Å
300V98.5Very high97.2Very high0 Ų015 Ų150%09%0.093CC..Hα-helixtrans-68.4-43.2174.3-176.40000111.4W280 W296 S297 F298 A302 W303 E304 P312 L338 M356W280-V300 HydrophobicContact CD2-CG1 4.4Å; W280-V300 HydrophobicContact CG-CB 4.4Å; W280-V300 HydrophobicContact CG-CG1 3.98Å; W296-V300 PolarHBondContact O-N 2.94Å; W296-V300 VanDerWaalsContact O-N 3.14Å; S297-V300 PolarHBondContact O-N 3.26Å; F298-V300 VanDerWaalsContact C-N 3.3Å; F298-V300 PolarHBondContact O-N 3.16Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 3.39Å; V300-W303 WeakPolarHBondContact O-CB 3.34Å; V300-W303 PolarHBondContact O-N 3.23Å; V300-W303 VanDerWaalsContact O-N 3.14Å; V300-E304 WeakPolarHBondContact O-CG 3.28Å; V300-E304 PolarHBondContact O-N 2.99Å; V300-P312 HydrophobicContact CG1-CB 3.97Å; V300-P312 HydrophobicContact CG1-CG 3.66Å; V300-L338 HydrophobicContact CB-CD1 4.4Å; V300-L338 HydrophobicContact CG1-CD1 4Å; V300-L338 HydrophobicContact CG2-CD1 4.15Å; V300-M356 HydrophobicContact CG2-SD 4Å
301L98.5Very high97.1Very high1 Ų117.5 Ų17.51%0.00511%0.107CC..Hα-helixtrans-58.4-43.6173.6168.763.1000112.1L202 A225 L242 A244 S297 F298 W303 E304 I305L202-L301 HydrophobicContact CD2-CD1 3.99Å; A225-L301 HydrophobicContact CB-CD2 3.88Å; L242-L301 HydrophobicContact CD1-CD2 3.86Å; L242-L301 HydrophobicContact CD2-CD2 4.43Å; L242-L301 HydrophobicContact CG-CD2 4.07Å; A244-L301 HydrophobicContact CB-CD1 3.93Å; S297-L301 PolarHBondContact O-N 2.91Å; F298-L301 HydrophobicContact CD2-CD2 4.47Å; F298-L301 PolarHBondContact O-N 3.04Å; L301-W303 VanDerWaalsContact C-N 3.28Å; L301-W303 PolarHBondContact O-N 2.77Å; L301-E304 WeakPolarHBondContact CA-OE2 3.37Å; L301-E304 WeakPolarHBondContact O-CB 3.48Å; L301-E304 PolarHBondContact O-N 2.93Å; L301-I305 HydrophobicContact CD1-CD1 4Å; L301-I305 HydrophobicContact CD1-CG1 4.28Å; L301-I305 HydrophobicContact CG-CD1 4.08Å; L301-I305 WeakPolarHBondContact O-CG1 3.28Å; L301-I305 PolarHBondContact O-N 3.4Å
302A98.6Very high97Very high2 Ų215.1 Ų15.12%0.01710%0.096CC..Hα-helixtrans-61-40.817700000110.5F298 G299 V300 I305 M306 M352F298-A302 HydrophobicContact CE1-CB 4.39Å; F298-A302 WeakPolarHBondContact O-CB 3.39Å; F298-A302 PolarHBondContact O-N 3.09Å; G299-A302 PolarHBondContact O-N 3.29Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 3.39Å; A302-I305 PolarHBondContact O-N 2.95Å; A302-M306 HydrophobicContact CB-CE 4.06Å; A302-M306 WeakPolarHBondContact O-CB 3.24Å; A302-M306 WeakPolarHBondContact O-CG 3.17Å; A302-M306 PolarHBondContact O-N 3.47Å; A302-M352 HydrophobicContact CB-CB 4.49Å; A302-M352 HydrophobicContact CB-CG 4.21Å
303W98.3Very high96.8Very high24 Ų2412.6 Ų12.69%0.0919%0.087CC..Hα-helixtrans-62.7-43.3172.6-177.787.6000113G299 V300 L301 I305 M306 T307 G310 V311 P312 L338 E339 M352G299-W303 PolarHBondContact O-N 3.49Å; G299-W303 VanDerWaalsContact O-N 3.08Å; V300-W303 WeakPolarHBondContact O-CB 3.34Å; V300-W303 PolarHBondContact O-N 3.23Å; V300-W303 VanDerWaalsContact O-N 3.14Å; L301-W303 VanDerWaalsContact C-N 3.28Å; L301-W303 PolarHBondContact O-N 2.77Å; W303-I305 VanDerWaalsContact C-N 3.29Å; W303-I305 PolarHBondContact O-N 3.37Å; W303-M306 PolarHBondContact O-N 3.41Å; W303-T307 HydrophobicContact CD2-CG2 3.91Å; W303-T307 VanDerWaalsContact CE2-CG2 3.49Å; W303-T307 HydrophobicContact CE3-CG2 4.39Å; W303-T307 HydrophobicContact CG-CG2 4.39Å; W303-T307 HydrophobicContact CH2-CG2 4.18Å; W303-T307 HydrophobicContact CZ2-CG2 3.68Å; W303-T307 HydrophobicContact CZ3-CG2 4.5Å; W303-T307 WeakPolarHBondContact O-CB 3.37Å; W303-T307 WeakPolarHBondContact O-CG2 2.94Å; W303-T307 PolarHBondContact O-N 2.85Å; W303-T307 PolarHBondContact O-OG1 3.43Å; W303-G310 WeakPolarHBondContact CZ3-O 3.37Å; W303-V311 WeakPolarHBondContact CH2-O 3.36Å; W303-P312 HydrophobicContact CE3-CB 4.39Å; W303-P312 HydrophobicContact CE3-CG 4.03Å; W303-P312 HydrophobicContact CZ3-CB 4.1Å; W303-P312 HydrophobicContact CZ3-CG 3.8Å; W303-L338 HydrophobicContact CB-CD1 4.06Å; W303-L338 HydrophobicContact CD2-CB 4.14Å; W303-L338 HydrophobicContact CD2-CD1 3.86Å; W303-L338 HydrophobicContact CD2-CD2 4.24Å; W303-L338 HydrophobicContact CD2-CG 4.31Å; W303-L338 HydrophobicContact CE3-CD1 4.11Å; W303-L338 HydrophobicContact CG-CB 3.84Å; W303-L338 HydrophobicContact CG-CD1 3.85Å; W303-L338 HydrophobicContact CG-CG 4.35Å; W303-L338 HydrophobicContact CH2-CD2 4.47Å; W303-L338 HydrophobicContact CZ2-CD2 4.16Å; W303-E339 PolarHBondContact NE1-O 3.37Å; W303-M352 HydrophobicContact CB-CG 4.42Å; W303-M352 HydrophobicContact CB-SD 3.63Å; W303-M352 HydrophobicContact CG-SD 4.15Å
304E98Very high96.5Very high14 Ų1415.3 Ų15.37%0.06511%0.106CC..Hα-helixtrans-57.3-43.6174.8-68.5177102.500110.8A244 W280 V300 L301 T307 G308 G309 P312A244-E304 HydrophobicContact CB-CB 4Å; A244-E304 HydrophobicContact CB-CG 4.36Å; A244-E304 WeakPolarHBondContact CB-OE1 3.45Å; A244-E304 PolarHBondContact N-OE2 3.25Å; W280-E304 WeakPolarHBondContact CZ2-OE1 3.47Å; W280-E304 VanDerWaalsContact NE1-CD 3.33Å; W280-E304 PolarHBondContact NE1-OE2 2.95Å; V300-E304 WeakPolarHBondContact O-CG 3.28Å; V300-E304 PolarHBondContact O-N 2.99Å; L301-E304 WeakPolarHBondContact CA-OE2 3.37Å; L301-E304 WeakPolarHBondContact O-CB 3.48Å; L301-E304 PolarHBondContact O-N 2.93Å; E304-T307 PolarHBondContact O-OG1 3.09Å; E304-G308 PolarHBondContact O-N 2.79Å; E304-G309 PolarHBondContact O-N 3.03Å; E304-P312 HydrophobicContact CG-CG 4.03Å
305I97.9Very high96Very high0 Ų018.7 Ų18.70%013%0.134CC..Hα-helixtrans-65.6-45.2176.9-67.1164.8000111.3L202 L206 K218 L221 L301 A302 W303 T307 G308L202-I305 HydrophobicContact CD2-CD1 4.18Å; L202-I305 HydrophobicContact CD2-CG1 3.98Å; L206-I305 HydrophobicContact CD1-CG1 4.31Å; L206-I305 HydrophobicContact CD2-CG2 4.42Å; K218-I305 HydrophobicContact CB-CG2 3.89Å; K218-I305 HydrophobicContact CG-CG2 4.08Å; L221-I305 HydrophobicContact CB-CD1 4.13Å; L221-I305 HydrophobicContact CB-CG2 4.24Å; L221-I305 HydrophobicContact CD1-CG2 4.24Å; L301-I305 HydrophobicContact CD1-CD1 4Å; L301-I305 HydrophobicContact CD1-CG1 4.28Å; L301-I305 HydrophobicContact CG-CD1 4.08Å; L301-I305 WeakPolarHBondContact O-CG1 3.28Å; L301-I305 PolarHBondContact O-N 3.4Å; A302-I305 PolarHBondContact O-N 2.95Å; W303-I305 VanDerWaalsContact C-N 3.29Å; W303-I305 PolarHBondContact O-N 3.37Å; I305-T307 VanDerWaalsContact C-N 3.32Å; I305-T307 PolarHBondContact O-N 2.89Å; I305-G308 PolarHBondContact O-N 3.02Å
306M96.3Very high95.4Very high3 Ų320.2 Ų20.22%0.01514%0.142CC..Hα-helixtrans-63.4-38.7-177.8-70174.5-161.500112.3W215 K218 A302 W303 G308 T344 L348 M352W215-M306 HydrophobicContact CH2-CB 4.4Å; W215-M306 HydrophobicContact CZ3-CB 4.06Å; W215-M306 HydrophobicContact CZ3-CG 4.01Å; K218-M306 PolarHBondContact NZ-O 3.43Å; A302-M306 HydrophobicContact CB-CE 4.06Å; A302-M306 WeakPolarHBondContact O-CB 3.24Å; A302-M306 WeakPolarHBondContact O-CG 3.17Å; A302-M306 PolarHBondContact O-N 3.47Å; W303-M306 PolarHBondContact O-N 3.41Å; M306-G308 VanDerWaalsContact C-N 3.33Å; M306-T344 HydrophobicContact CG-CG2 4.42Å; M306-T344 HydrophobicContact SD-CG2 3.72Å; M306-L348 HydrophobicContact CE-CB 3.79Å; M306-L348 HydrophobicContact SD-CB 4.48Å; M306-M352 HydrophobicContact CE-CB 3.99Å; M306-M352 HydrophobicContact CE-CG 4.45Å; M306-M352 HydrophobicContact CE-SD 4.5Å; M306-M352 HydrophobicContact SD-CB 4.37Å; M306-M352 HydrophobicContact SD-CG 4.47Å; M306-M352 HydrophobicContact SD-SD 3.79Å
307T95.2Very high94.4Very high45 Ų4524.2 Ų24.228%0.27616%0.16SC..Hα-helixtrans-81.3-6.5179.254.60000114.3W303 E304 I305 G310 P341W303-T307 HydrophobicContact CD2-CG2 3.91Å; W303-T307 VanDerWaalsContact CE2-CG2 3.49Å; W303-T307 HydrophobicContact CE3-CG2 4.39Å; W303-T307 HydrophobicContact CG-CG2 4.39Å; W303-T307 HydrophobicContact CH2-CG2 4.18Å; W303-T307 HydrophobicContact CZ2-CG2 3.68Å; W303-T307 HydrophobicContact CZ3-CG2 4.5Å; W303-T307 WeakPolarHBondContact O-CB 3.37Å; W303-T307 WeakPolarHBondContact O-CG2 2.94Å; W303-T307 PolarHBondContact O-N 2.85Å; W303-T307 PolarHBondContact O-OG1 3.43Å; E304-T307 PolarHBondContact O-OG1 3.09Å; I305-T307 VanDerWaalsContact C-N 3.32Å; I305-T307 PolarHBondContact O-N 2.89Å; T307-G310 WeakPolarHBondContact OG1-CA 3.41Å; T307-G310 PolarHBondContact OG1-N 3.4Å; T307-P341 HydrophobicContact CG2-CG 3.8Å
308G94.5Very high93Very high13 Ų1331 Ų3113%0.13420%0.196CC..THydrogen-bonded Turntrans74.631.6-176.200000113.4E304 I305 M306E304-G308 PolarHBondContact O-N 2.79Å; I305-G308 PolarHBondContact O-N 3.02Å; M306-G308 VanDerWaalsContact C-N 3.33Å
309G93.5Very high91.2Very high35 Ų3535.2 Ų35.236%0.36122%0.222SC..SBendtrans9627.8178.600000113.9E304E304-G309 PolarHBondContact O-N 3.03Å
310G93.6Very high89.4Confident24 Ų2443.5 Ų43.525%0.24726%0.258CS..PPolyproline II helixtrans-57.7153.8173.500000112.1W303 T307 P312W303-G310 WeakPolarHBondContact CZ3-O 3.37Å; T307-G310 WeakPolarHBondContact OG1-CA 3.41Å; T307-G310 PolarHBondContact OG1-N 3.4Å; G310-P312 WeakPolarHBondContact O-CD 3.25Å
311V93.6Very high87.6Confident81 Ų8147.5 Ų47.549%0.49129%0.291SS..PPolyproline II helixtrans-87.8117.6175.8177.90000109W303 Y313 S314W303-V311 WeakPolarHBondContact CH2-O 3.36Å; V311-Y313 PolarHBondContact O-N 3.48Å; V311-S314 PolarHBondContact O-N 2.88Å
312P95.1Very high86Confident2 Ų256.3 Ų56.31%0.01333%0.332CS..THydrogen-bonded Turntrans-59.2136.2-178-25.534.7000111.9K279 W280 V300 W303 E304 G310 S314 L338K279-P312 HydrophobicContact CB-CB 4.37Å; K279-P312 VanDerWaalsContact CD-O 3.31Å; K279-P312 WeakPolarHBondContact CD-O 3.35Å; K279-P312 WeakPolarHBondContact CE-O 3.46Å; K279-P312 PolarHBondContact NZ-O 3.34Å; W280-P312 HydrophobicContact CH2-CG 4.37Å; W280-P312 HydrophobicContact CZ2-CG 3.79Å; V300-P312 HydrophobicContact CG1-CB 3.97Å; V300-P312 HydrophobicContact CG1-CG 3.66Å; W303-P312 HydrophobicContact CE3-CB 4.39Å; W303-P312 HydrophobicContact CE3-CG 4.03Å; W303-P312 HydrophobicContact CZ3-CB 4.1Å; W303-P312 HydrophobicContact CZ3-CG 3.8Å; E304-P312 HydrophobicContact CG-CG 4.03Å; G310-P312 WeakPolarHBondContact O-CD 3.25Å; P312-S314 PolarHBondContact O-N 3.05Å; P312-S314 VanDerWaalsContact O-N 3.14Å; P312-L338 HydrophobicContact CB-CD1 4.17Å; P312-L338 HydrophobicContact CB-CD2 4.2Å
313Y93.8Very high85.2Confident11 Ų1160.9 Ų60.94%0.04336%0.356CS..THydrogen-bonded Turntrans5528.3176.2-46.1-81.1000114.4K279 V311 A315 L316 L328 F331 L332 L338K279-Y313 HydrophobicContact CB-CD2 4.07Å; K279-Y313 HydrophobicContact CB-CE2 4.42Å; K279-Y313 HydrophobicContact CG-CD2 4.22Å; K279-Y313 VanDerWaalsContact O-CE2 3.29Å; K279-Y313 WeakPolarHBondContact O-CE2 2.94Å; V311-Y313 PolarHBondContact O-N 3.48Å; Y313-A315 PolarHBondContact O-N 3.15Å; Y313-L316 HydrophobicContact CD1-CD1 4.35Å; Y313-L316 PolarHBondContact O-N 3.36Å; Y313-L328 HydrophobicContact CD1-CD1 3.52Å; Y313-L328 HydrophobicContact CD2-CD1 3.92Å; Y313-L328 HydrophobicContact CE1-CD1 3.67Å; Y313-L328 HydrophobicContact CE2-CD1 4.09Å; Y313-L328 HydrophobicContact CG-CD1 3.64Å; Y313-F331 HydrophobicContact CD1-CD1 4.41Å; Y313-F331 HydrophobicContact CD1-CE1 4.21Å; Y313-F331 HydrophobicContact CE1-CD1 4.38Å; Y313-F331 HydrophobicContact CE1-CE1 4.16Å; Y313-L332 HydrophobicContact CE1-CD2 4.13Å; Y313-L338 HydrophobicContact CD1-CD2 3.66Å; Y313-L338 HydrophobicContact CD1-CG 4.21Å; Y313-L338 HydrophobicContact CD2-CD2 4.04Å; Y313-L338 HydrophobicContact CE1-CD1 4.45Å; Y313-L338 HydrophobicContact CE1-CD2 3.64Å; Y313-L338 HydrophobicContact CE1-CG 3.64Å; Y313-L338 HydrophobicContact CE2-CD1 3.97Å; Y313-L338 HydrophobicContact CE2-CD2 3.99Å; Y313-L338 HydrophobicContact CE2-CG 4.02Å; Y313-L338 HydrophobicContact CG-CD2 3.87Å
314S90.8Very high84.7Confident59 Ų5961 Ų6141%0.41336%0.357SS..Hα-helixtrans-53.5-39.1179.653.10000112.9V311 P312 L316 E317V311-S314 PolarHBondContact O-N 2.88Å; P312-S314 PolarHBondContact O-N 3.05Å; P312-S314 VanDerWaalsContact O-N 3.14Å; S314-L316 PolarHBondContact O-N 3.24Å; S314-L316 VanDerWaalsContact O-N 3.12Å; S314-E317 WeakPolarHBondContact O-CB 2.86Å; S314-E317 PolarHBondContact O-N 3.06Å
315A86.9Confident84.1Confident72 Ų7263.7 Ų63.760%0.59538%0.377SS*.Hα-helixtrans-60.8-22.217800000114.4Y313Y313-A315 PolarHBondContact O-N 3.15Å
316L86.7Confident83.6Confident32 Ų3268.5 Ų68.517%0.16840%0.402CS..Hα-helixtrans-84.4-21.2175.4-60.5-177.4000112.4Y313 S314 F324 L328 F331Y313-L316 HydrophobicContact CD1-CD1 4.35Å; Y313-L316 PolarHBondContact O-N 3.36Å; S314-L316 PolarHBondContact O-N 3.24Å; S314-L316 VanDerWaalsContact O-N 3.12Å; L316-F324 HydrophobicContact CB-CD2 4.26Å; L316-F324 HydrophobicContact CB-CE2 3.84Å; L316-L328 HydrophobicContact CD1-CB 4.41Å; L316-L328 HydrophobicContact CD1-CD1 3.99Å; L316-F331 HydrophobicContact CD1-CB 3.94Å; L316-F331 HydrophobicContact CD1-CD1 4.22Å; L316-F331 HydrophobicContact CD1-CD2 4.3Å; L316-F331 HydrophobicContact CD1-CG 3.91Å; L316-F331 HydrophobicContact CD2-CD2 4.04Å; L316-F331 HydrophobicContact CD2-CG 4.43Å
317E77Confident83.4Confident85 Ų8571 Ų7140%0.39742%0.415SS..Hα-helixtrans-73.3-31.5179.3-68.9-174.7141.300112.2K279 S314 V319 F324K279-E317 WeakPolarHBondContact CE-OE1 3.17Å; K279-E317 IonicContact NZ-OE1 2.82Å; K279-E317 PolarHBondContact NZ-OE1 2.92Å; K279-E317 IonicContact NZ-OE2 2.65Å; K279-E317 PolarHBondContact NZ-OE2 3.42Å; S314-E317 WeakPolarHBondContact O-CB 2.86Å; S314-E317 PolarHBondContact O-N 3.06Å; E317-V319 PolarHBondContact O-N 3.01Å; E317-V319 VanDerWaalsContact O-N 3.08Å; E317-F324 HydrophobicContact CG-CD2 3.68Å; E317-F324 HydrophobicContact CG-CE2 3.49Å; E317-F324 VanDerWaalsContact CG-CE2 3.49Å; E317-F324 HydrophobicContact CG-CZ 4.32Å
318D68.3Low83.2Confident146 Ų14669.2 Ų69.278%0.78140%0.404SS*.THydrogen-bonded Turntrans-64.6-14.5179.6-65.2-28.6000112.7K320D318-K320 PolarHBondContact O-N 3.29Å
319V62.7Low83.1Confident90 Ų9071.7 Ų71.755%0.54541%0.414SS..THydrogen-bonded Turntrans-96.718.7-168.8-171.30000114E317 L327E317-V319 PolarHBondContact O-N 3.01Å; E317-V319 VanDerWaalsContact O-N 3.08Å; V319-L327 HydrophobicContact CB-CD1 4.47Å
320K59Low83Confident175 Ų17574.2 Ų74.276%0.76142%0.419SS*.  trans99.7108.9-178.4-56.8165-178.2-177.40112.7D318 E322D318-K320 PolarHBondContact O-N 3.29Å; K320-E322 PolarHBondContact O-N 3.24Å; K320-E322 VanDerWaalsContact O-N 3.1Å
321A61.2Low83Confident83 Ų8375.7 Ų75.769%0.68642%0.419SS*.G310 helixtrans-56.8-27.3-175.500000115.2N323 F324A321-N323 PolarHBondContact O-N 3.22Å; A321-N323 VanDerWaalsContact O-N 3.13Å; A321-F324 PolarHBondContact O-N 2.76Å
322E66Low83Confident187 Ų18772.1 Ų72.187%0.87440%0.397SS*.G310 helixtrans-65.5-19.5-171.4-67.5-178171.900114.3K320K320-E322 PolarHBondContact O-N 3.24Å; K320-E322 VanDerWaalsContact O-N 3.1Å
323N81.4Confident82.8Confident98 Ų9876.8 Ų76.852%0.52442%0.422SS..G310 helixtrans-124.119.3-179.9-74-34.9000114.2A321 C325 L326 L327A321-N323 PolarHBondContact O-N 3.22Å; A321-N323 VanDerWaalsContact O-N 3.13Å; N323-C325 PolarHBondContact O-N 2.97Å; N323-C325 VanDerWaalsContact O-N 3.1Å; N323-L326 PolarHBondContact O-N 3.49Å; N323-L327 PolarHBondContact O-N 2.8Å
324F87.5Confident82.8Confident25 Ų2583.2 Ų83.211%0.1145%0.452CS..Hα-helixtrans-51.4-41.1-175.4178.9-97.2000113.5I278 K279 L316 E317 A321 L326 L327 L328I278-F324 HydrophobicContact CG2-CD1 4.47Å; I278-F324 HydrophobicContact CG2-CE1 4.21Å; K279-F324 HydrophobicContact CD-CE1 4.49Å; K279-F324 HydrophobicContact CD-CZ 4.22Å; K279-F324 HydrophobicContact CG-CE1 3.73Å; K279-F324 HydrophobicContact CG-CZ 3.73Å; L316-F324 HydrophobicContact CB-CD2 4.26Å; L316-F324 HydrophobicContact CB-CE2 3.84Å; E317-F324 HydrophobicContact CG-CD2 3.68Å; E317-F324 HydrophobicContact CG-CE2 3.49Å; E317-F324 VanDerWaalsContact CG-CE2 3.49Å; E317-F324 HydrophobicContact CG-CZ 4.32Å; A321-F324 PolarHBondContact O-N 2.76Å; F324-L326 PolarHBondContact O-N 3.27Å; F324-L327 PolarHBondContact O-N 2.9Å; F324-L328 HydrophobicContact CE1-CB 4.37Å; F324-L328 HydrophobicContact CE1-CD2 3.97Å; F324-L328 HydrophobicContact CZ-CB 4.44Å; F324-L328 HydrophobicContact CZ-CD2 4.24Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.04Å; F324-L328 PolarHBondContact O-N 3.15Å
325C86.1Confident82.9Confident71 Ų7182.7 Ų82.748%0.4846%0.456SS..Hα-helixtrans-61-43.7178.5-63.50000112.6I278 N323 L329I278-C325 WeakPolarHBondContact CD1-SG 3.3Å; N323-C325 PolarHBondContact O-N 2.97Å; N323-C325 VanDerWaalsContact O-N 3.1Å; C325-L329 WeakPolarHBondContact O-CB 3.26Å; C325-L329 PolarHBondContact O-N 2.84Å
326L87.5Confident83.2Confident101 Ų10182.3 Ų82.353%0.52944%0.444SS..Hα-helixtrans-71-40.6179.2-71173.2000111.1N323 F324 L329 N330N323-L326 PolarHBondContact O-N 3.49Å; F324-L326 PolarHBondContact O-N 3.27Å; L326-L329 PolarHBondContact O-N 3.5Å; L326-N330 WeakPolarHBondContact O-CB 3.48Å; L326-N330 VanDerWaalsContact O-CG 3.32Å; L326-N330 PolarHBondContact O-N 2.92Å
327L90.8Very high83.6Confident56 Ų5682.8 Ų82.829%0.29344%0.444SS..Hα-helixtrans-61.1-47.3175.4-69.3174000111.4V319 N323 F324 L329 N330 F331V319-L327 HydrophobicContact CB-CD1 4.47Å; N323-L327 PolarHBondContact O-N 2.8Å; F324-L327 PolarHBondContact O-N 2.9Å; L327-L329 PolarHBondContact O-N 2.87Å; L327-N330 PolarHBondContact O-N 2.96Å; L327-F331 VanDerWaalsContact O-CB 3.3Å; L327-F331 WeakPolarHBondContact O-CB 3.48Å; L327-F331 PolarHBondContact O-N 3.39Å
328L92Very high84.5Confident7 Ų779.2 Ų79.24%0.03743%0.428CS..Hα-helixtrans-62.1-43.8176.3-179.962000111.3I278 Y313 L316 F324 N330 F331 L332I278-L328 HydrophobicContact CG2-CD2 3.79Å; Y313-L328 HydrophobicContact CD1-CD1 3.52Å; Y313-L328 HydrophobicContact CD2-CD1 3.92Å; Y313-L328 HydrophobicContact CE1-CD1 3.67Å; Y313-L328 HydrophobicContact CE2-CD1 4.09Å; Y313-L328 HydrophobicContact CG-CD1 3.64Å; L316-L328 HydrophobicContact CD1-CB 4.41Å; L316-L328 HydrophobicContact CD1-CD1 3.99Å; F324-L328 HydrophobicContact CE1-CB 4.37Å; F324-L328 HydrophobicContact CE1-CD2 3.97Å; F324-L328 HydrophobicContact CZ-CB 4.44Å; F324-L328 HydrophobicContact CZ-CD2 4.24Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.04Å; F324-L328 PolarHBondContact O-N 3.15Å; L328-N330 PolarHBondContact O-N 3.34Å; L328-F331 PolarHBondContact O-N 2.76Å; L328-L332 HydrophobicContact CD1-CD1 4.04Å; L328-L332 HydrophobicContact CD1-CD2 4.49Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 4Å; L328-L332 HydrophobicContact CG-CG 4.39Å; L328-L332 WeakPolarHBondContact O-CB 3.38Å; L328-L332 VanDerWaalsContact O-CG 3.23Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.98Å
329L90.7Very high85.8Confident65 Ų6580.5 Ų80.534%0.3443%0.429SS..Hα-helixtrans-59.8-47177.9-175.269.8000111.6P283 C325 L326 L327 L332 N333P283-L329 HydrophobicContact CB-CD1 3.73Å; P283-L329 HydrophobicContact CG-CD1 4.17Å; C325-L329 WeakPolarHBondContact O-CB 3.26Å; C325-L329 PolarHBondContact O-N 2.84Å; L326-L329 PolarHBondContact O-N 3.5Å; L327-L329 PolarHBondContact O-N 2.87Å; L329-L332 PolarHBondContact O-N 3.34Å; L329-N333 WeakPolarHBondContact O-CB 3.26Å; L329-N333 PolarHBondContact O-N 2.86Å; L329-N333 PolarHBondContact O-ND2 2.89Å
330N91.5Very high87.3Confident89 Ų8976.8 Ų76.848%0.47641%0.408SS..Hα-helixtrans-62.5-47.8177.6-71.8-12.5000111.3L326 L327 L328 L332 N333 E334L326-N330 WeakPolarHBondContact O-CB 3.48Å; L326-N330 VanDerWaalsContact O-CG 3.32Å; L326-N330 PolarHBondContact O-N 2.92Å; L327-N330 PolarHBondContact O-N 2.96Å; L328-N330 PolarHBondContact O-N 3.34Å; N330-L332 VanDerWaalsContact C-N 3.29Å; N330-L332 PolarHBondContact O-N 2.81Å; N330-N333 PolarHBondContact O-N 2.88Å; N330-N333 VanDerWaalsContact O-N 3.12Å; N330-E334 WeakPolarHBondContact O-CG 3.44Å; N330-E334 PolarHBondContact O-N 2.8Å
331F93.6Very high88.9Confident55 Ų5570.5 Ų70.524%0.24139%0.385CS..Hα-helixtrans-53.8-45.7176.5-178.8-93.7000111.8Y313 L316 L327 L328 N336Y313-F331 HydrophobicContact CD1-CD1 4.41Å; Y313-F331 HydrophobicContact CD1-CE1 4.21Å; Y313-F331 HydrophobicContact CE1-CD1 4.38Å; Y313-F331 HydrophobicContact CE1-CE1 4.16Å; L316-F331 HydrophobicContact CD1-CB 3.94Å; L316-F331 HydrophobicContact CD1-CD1 4.22Å; L316-F331 HydrophobicContact CD1-CD2 4.3Å; L316-F331 HydrophobicContact CD1-CG 3.91Å; L316-F331 HydrophobicContact CD2-CD2 4.04Å; L316-F331 HydrophobicContact CD2-CG 4.43Å; L327-F331 VanDerWaalsContact O-CB 3.3Å; L327-F331 WeakPolarHBondContact O-CB 3.48Å; L327-F331 PolarHBondContact O-N 3.39Å; L328-F331 PolarHBondContact O-N 2.76Å; F331-N336 HydrophobicContact CD1-CB 3.73Å; F331-N336 HydrophobicContact CD2-CB 3.79Å; F331-N336 HydrophobicContact CE1-CB 3.44Å; F331-N336 VanDerWaalsContact CE1-CB 3.44Å; F331-N336 HydrophobicContact CE2-CB 3.5Å; F331-N336 HydrophobicContact CG-CB 3.9Å; F331-N336 HydrophobicContact CZ-CB 3.33Å; F331-N336 VanDerWaalsContact O-CB 3.25Å; F331-N336 WeakPolarHBondContact O-CB 3.38Å; F331-N336 PolarHBondContact O-N 2.99Å; F331-N336 PolarHBondContact O-ND2 2.85Å
332L94.3Very high90.4Very high6 Ų676.6 Ų76.63%0.03140%0.396CS..Hα-helixtrans-71.1-35.5179.1-65.5176.6000113P283 W296 Y313 L328 L329 N330 G335 R337P283-L332 HydrophobicContact CG-CB 4.39Å; P283-L332 HydrophobicContact CG-CD1 3.92Å; W296-L332 HydrophobicContact CH2-CD1 4.08Å; W296-L332 HydrophobicContact CH2-CD2 3.95Å; W296-L332 HydrophobicContact CH2-CG 4.48Å; W296-L332 HydrophobicContact CZ2-CD1 3.71Å; W296-L332 HydrophobicContact CZ2-CD2 3.83Å; W296-L332 HydrophobicContact CZ2-CG 4.38Å; Y313-L332 HydrophobicContact CE1-CD2 4.13Å; L328-L332 HydrophobicContact CD1-CD1 4.04Å; L328-L332 HydrophobicContact CD1-CD2 4.49Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 4Å; L328-L332 HydrophobicContact CG-CG 4.39Å; L328-L332 WeakPolarHBondContact O-CB 3.38Å; L328-L332 VanDerWaalsContact O-CG 3.23Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.98Å; L329-L332 PolarHBondContact O-N 3.34Å; N330-L332 VanDerWaalsContact C-N 3.29Å; N330-L332 PolarHBondContact O-N 2.81Å; L332-G335 PolarHBondContact O-N 2.8Å; L332-G335 VanDerWaalsContact O-N 3.13Å; L332-R337 PolarHBondContact O-NH1 2.86Å
333N91Very high91.7Very high100 Ų10074 Ų7454%0.53539%0.388SS..Hα-helixtrans-69.8-30.4177.7-76.6-18.6000112.9L329 N330 G335L329-N333 WeakPolarHBondContact O-CB 3.26Å; L329-N333 PolarHBondContact O-N 2.86Å; L329-N333 PolarHBondContact O-ND2 2.89Å; N330-N333 PolarHBondContact O-N 2.88Å; N330-N333 VanDerWaalsContact O-N 3.12Å; N333-G335 PolarHBondContact O-N 2.8Å
334E93.4Very high92.4Very high145 Ų14570 Ų7068%0.67837%0.367SS*.THydrogen-bonded Turntrans-69.8-3.7170.5-72.2170.9-174.100112.9N330 N336N330-E334 WeakPolarHBondContact O-CG 3.44Å; N330-E334 PolarHBondContact O-N 2.8Å; E334-N336 WeakPolarHBondContact CB-ND2 3.43Å; E334-N336 PolarHBondContact OE2-ND2 2.79Å; E334-N336 VanDerWaalsContact OE2-ND2 3.17Å
335G92.5Very high92.9Very high49 Ų4970 Ų7051%0.50537%0.37SS..THydrogen-bonded Turntrans90.1-3.2-179.300000113.9L332 N333 R337L332-G335 PolarHBondContact O-N 2.8Å; L332-G335 VanDerWaalsContact O-N 3.13Å; N333-G335 PolarHBondContact O-N 2.8Å; G335-R337 PolarHBondContact O-NH1 3.35Å
336N94.9Very high93.4Very high64 Ų6470.1 Ų70.134%0.34238%0.376SS..  trans-68.5148.4179.3-53.4-56.9000111.2F331 E334F331-N336 HydrophobicContact CD1-CB 3.73Å; F331-N336 HydrophobicContact CD2-CB 3.79Å; F331-N336 HydrophobicContact CE1-CB 3.44Å; F331-N336 VanDerWaalsContact CE1-CB 3.44Å; F331-N336 HydrophobicContact CE2-CB 3.5Å; F331-N336 HydrophobicContact CG-CB 3.9Å; F331-N336 HydrophobicContact CZ-CB 3.33Å; F331-N336 VanDerWaalsContact O-CB 3.25Å; F331-N336 WeakPolarHBondContact O-CB 3.38Å; F331-N336 PolarHBondContact O-N 2.99Å; F331-N336 PolarHBondContact O-ND2 2.85Å; E334-N336 WeakPolarHBondContact CB-ND2 3.43Å; E334-N336 PolarHBondContact OE2-ND2 2.79Å; E334-N336 VanDerWaalsContact OE2-ND2 3.17Å
337R94.9Very high93.8Very high41 Ų4170.2 Ų70.216%0.15537%0.374CS..  trans-139.3170.5-179.3-65.6-61.8-179-87.12.8110.1L332 G335 E339 L353 M356L332-R337 PolarHBondContact O-NH1 2.86Å; G335-R337 PolarHBondContact O-NH1 3.35Å; R337-E339 PolarHBondContact O-N 2.89Å; R337-L353 HydrophobicContact CB-CD2 4.07Å; R337-M356 PolarHBondContact NE-O 3.19Å; R337-M356 PolarHBondContact NH2-O 2.89Å
338L96.1Very high94.2Very high11 Ų1167.6 Ų67.66%0.05836%0.36CS..PPolyproline II helixtrans-58.5129.6169.1-68.3168.4000110.4V300 W303 P312 Y313 M356V300-L338 HydrophobicContact CB-CD1 4.4Å; V300-L338 HydrophobicContact CG1-CD1 4Å; V300-L338 HydrophobicContact CG2-CD1 4.15Å; W303-L338 HydrophobicContact CB-CD1 4.06Å; W303-L338 HydrophobicContact CD2-CB 4.14Å; W303-L338 HydrophobicContact CD2-CD1 3.86Å; W303-L338 HydrophobicContact CD2-CD2 4.24Å; W303-L338 HydrophobicContact CD2-CG 4.31Å; W303-L338 HydrophobicContact CE3-CD1 4.11Å; W303-L338 HydrophobicContact CG-CB 3.84Å; W303-L338 HydrophobicContact CG-CD1 3.85Å; W303-L338 HydrophobicContact CG-CG 4.35Å; W303-L338 HydrophobicContact CH2-CD2 4.47Å; W303-L338 HydrophobicContact CZ2-CD2 4.16Å; P312-L338 HydrophobicContact CB-CD1 4.17Å; P312-L338 HydrophobicContact CB-CD2 4.2Å; Y313-L338 HydrophobicContact CD1-CD2 3.66Å; Y313-L338 HydrophobicContact CD1-CG 4.21Å; Y313-L338 HydrophobicContact CD2-CD2 4.04Å; Y313-L338 HydrophobicContact CE1-CD1 4.45Å; Y313-L338 HydrophobicContact CE1-CD2 3.64Å; Y313-L338 HydrophobicContact CE1-CG 3.64Å; Y313-L338 HydrophobicContact CE2-CD1 3.97Å; Y313-L338 HydrophobicContact CE2-CD2 3.99Å; Y313-L338 HydrophobicContact CE2-CG 4.02Å; Y313-L338 HydrophobicContact CG-CD2 3.87Å; L338-M356 HydrophobicContact CB-CE 4.46Å; L338-M356 HydrophobicContact CD1-SD 4.31Å
339E94.9Very high94.4Very high172 Ų17272 Ų7280%0.80438%0.379SS*.PPolyproline II helixtrans-83.6124.4177.8-64.4-172.3172.600110.8W303 R337W303-E339 PolarHBondContact NE1-O 3.37Å; R337-E339 PolarHBondContact O-N 2.89Å
340A93.3Very high94.8Very high13 Ų1374.9 Ų74.911%0.10739%0.388CS..PPolyproline II helixtrans-68.8147.4171.700000110.8T344 K349 M352A340-T344 HydrophobicContact CB-CG2 4.18Å; A340-K349 HydrophobicContact CB-CB 4.43Å; A340-K349 HydrophobicContact CB-CD 4.25Å; A340-K349 HydrophobicContact CB-CG 4.03Å; A340-M352 HydrophobicContact CB-CE 3.89Å; A340-M352 HydrophobicContact CB-SD 4.35Å
341P93Very high95.1Very high43 Ų4370.8 Ų70.828%0.27937%0.366SS..PPolyproline II helixtrans-49.7146.6171.2-2733.6000112.4W215 T307 D343 T344W215-P341 HydrophobicContact CH2-CB 4.48Å; T307-P341 HydrophobicContact CG2-CG 3.8Å; P341-D343 PolarHBondContact O-N 3.27Å; P341-D343 VanDerWaalsContact O-N 3.14Å; P341-T344 WeakPolarHBondContact CD-OG1 3.43Å; P341-T344 VanDerWaalsContact O-CB 3.23Å; P341-T344 WeakPolarHBondContact O-CB 3.17Å; P341-T344 PolarHBondContact O-N 3.3Å; P341-T344 PolarHBondContact O-OG1 3.46Å
342K93.2Very high95.3Very high211 Ų21168.1 Ų68.192%0.91736%0.355SS*.THydrogen-bonded Turntrans-54.1-37.7-175.3-69-176.1179.7178.80113.1T344K342-T344 VanDerWaalsContact C-N 3.25Å; K342-T344 PolarHBondContact O-N 2.8Å
343D93.9Very high95.5Very high131 Ų13171 Ų7170%0.70137%0.37SS*.THydrogen-bonded Turntrans-84.97-176.9-50.1-45.7000113.7W215 P341 P345W215-D343 VanDerWaalsContact CZ2-C 3.46Å; W215-D343 HydrophobicContact CZ2-CB 4.24Å; W215-D343 VanDerWaalsContact CZ2-O 3.31Å; W215-D343 WeakPolarHBondContact CZ2-O 3.47Å; W215-D343 PolarHBondContact NE1-O 2.86Å; P341-D343 PolarHBondContact O-N 3.27Å; P341-D343 VanDerWaalsContact O-N 3.14Å; D343-P345 WeakPolarHBondContact O-CD 3.38Å
344T96.2Very high95.8Very high14 Ų1467.8 Ų67.89%0.08636%0.356CS..  trans-66.2126.3-179.7-54.20000110.6W215 M306 A340 P341 K342 A346 L348 K349W215-T344 VanDerWaalsContact CH2-CA 3.47Å; W215-T344 HydrophobicContact CH2-CG2 4Å; W215-T344 VanDerWaalsContact CH2-OG1 3.22Å; W215-T344 WeakPolarHBondContact CH2-OG1 3.49Å; W215-T344 VanDerWaalsContact CZ2-CA 3.46Å; W215-T344 HydrophobicContact CZ3-CG2 3.9Å; M306-T344 HydrophobicContact CG-CG2 4.42Å; M306-T344 HydrophobicContact SD-CG2 3.72Å; A340-T344 HydrophobicContact CB-CG2 4.18Å; P341-T344 WeakPolarHBondContact CD-OG1 3.43Å; P341-T344 VanDerWaalsContact O-CB 3.23Å; P341-T344 WeakPolarHBondContact O-CB 3.17Å; P341-T344 PolarHBondContact O-N 3.3Å; P341-T344 PolarHBondContact O-OG1 3.46Å; K342-T344 VanDerWaalsContact C-N 3.25Å; K342-T344 PolarHBondContact O-N 2.8Å; T344-A346 PolarHBondContact O-N 3.14Å; T344-L348 HydrophobicContact CG2-CB 4.07Å; T344-K349 HydrophobicContact CG2-CB 4.15Å
345P97Very high96Very high26 Ų2660.9 Ų60.917%0.16932%0.323CS..  trans-51.3135.1172.8-28.333.6000112.1W215 D343 E347 L348 K349 L380W215-P345 HydrophobicContact CB-CG 3.9Å; W215-P345 HydrophobicContact CD2-CG 3.92Å; W215-P345 VanDerWaalsContact CE3-CD 3.46Å; W215-P345 HydrophobicContact CE3-CG 4.25Å; W215-P345 HydrophobicContact CG-CG 3.75Å; D343-P345 WeakPolarHBondContact O-CD 3.38Å; P345-E347 VanDerWaalsContact C-N 3.25Å; P345-E347 PolarHBondContact O-N 3.42Å; P345-L348 HydrophobicContact CB-CB 4.47Å; P345-L348 HydrophobicContact CB-CD1 4.33Å; P345-L348 HydrophobicContact CB-CG 4.27Å; P345-L348 HydrophobicContact CG-CD1 4.09Å; P345-L348 PolarHBondContact O-N 2.87Å; P345-K349 PolarHBondContact O-N 2.89Å; P345-L380 HydrophobicContact CB-CD2 3.92Å; P345-L380 HydrophobicContact CG-CD1 4.35Å; P345-L380 HydrophobicContact CG-CD2 3.6Å
346A96.8Very high96.3Very high74 Ų7458.6 Ų58.661%0.61230%0.299SS*.Hα-helixtrans-55.1-40.3-172.900000112.9T344 K349 K350T344-A346 PolarHBondContact O-N 3.14Å; A346-K349 PolarHBondContact O-N 3.3Å; A346-K350 WeakPolarHBondContact O-CB 3.25Å; A346-K350 PolarHBondContact O-N 2.89Å
347E96.6Very high96.3Very high103 Ų10358.9 Ų58.948%0.48130%0.298SS..Hα-helixtrans-64-41.6178.1-64.4-52.7137.200112.5P345 K350 I351 A376P345-E347 VanDerWaalsContact C-N 3.25Å; P345-E347 PolarHBondContact O-N 3.42Å; E347-K350 PolarHBondContact O-N 3.23Å; E347-I351 WeakPolarHBondContact O-CD1 3.23Å; E347-I351 VanDerWaalsContact O-CG1 3.23Å; E347-I351 WeakPolarHBondContact O-CG1 3.39Å; E347-I351 PolarHBondContact O-N 2.87Å; E347-A376 HydrophobicContact CB-CB 4.33Å
348L97.9Very high96.3Very high1 Ų160 Ų601%0.00531%0.307CS..Hα-helixtrans-65.3-44.4176.7-68.3-175.2000111.2W215 A219 M306 T344 P345 K350 I351 M352 L373 A376 L380W215-L348 HydrophobicContact CE3-CD1 4.03Å; A219-L348 HydrophobicContact CB-CD1 4.06Å; A219-L348 HydrophobicContact CB-CD2 3.86Å; M306-L348 HydrophobicContact CE-CB 3.79Å; M306-L348 HydrophobicContact SD-CB 4.48Å; T344-L348 HydrophobicContact CG2-CB 4.07Å; P345-L348 HydrophobicContact CB-CB 4.47Å; P345-L348 HydrophobicContact CB-CD1 4.33Å; P345-L348 HydrophobicContact CB-CG 4.27Å; P345-L348 HydrophobicContact CG-CD1 4.09Å; P345-L348 PolarHBondContact O-N 2.87Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 2.9Å; L348-I351 PolarHBondContact O-N 3.49Å; L348-M352 WeakPolarHBondContact O-CB 3.49Å; L348-M352 PolarHBondContact O-N 2.86Å; L348-L373 HydrophobicContact CD2-CD2 3.93Å; L348-A376 HydrophobicContact CD2-CB 3.92Å; L348-L380 HydrophobicContact CD1-CD1 4.08Å; L348-L380 HydrophobicContact CG-CD1 4.46Å
349K97.9Very high96.2Very high99 Ų9962.7 Ų62.743%0.4332%0.323SS..Hα-helixtrans-59.2-43.4175.3-178.4175.8179.6175.30111.3A340 T344 P345 A346 M352 L353A340-K349 HydrophobicContact CB-CB 4.43Å; A340-K349 HydrophobicContact CB-CD 4.25Å; A340-K349 HydrophobicContact CB-CG 4.03Å; T344-K349 HydrophobicContact CG2-CB 4.15Å; P345-K349 PolarHBondContact O-N 2.89Å; A346-K349 PolarHBondContact O-N 3.3Å; K349-M352 PolarHBondContact O-N 2.78Å; K349-L353 HydrophobicContact CG-CD1 3.96Å; K349-L353 WeakPolarHBondContact O-CB 3.3Å; K349-L353 WeakPolarHBondContact O-CG 3.28Å; K349-L353 PolarHBondContact O-N 3.42Å
350K97.7Very high96.2Very high125 Ų12556.2 Ų56.254%0.54330%0.297SS..Hα-helixtrans-62.1-46.6177.4-178.3-178.7176.9-175.90112A346 E347 L348 S354A346-K350 WeakPolarHBondContact O-CB 3.25Å; A346-K350 PolarHBondContact O-N 2.89Å; E347-K350 PolarHBondContact O-N 3.23Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 2.9Å; K350-S354 WeakPolarHBondContact O-CB 3.29Å; K350-S354 PolarHBondContact O-N 2.93Å; K350-S354 PolarHBondContact O-OG 3.37Å
351I98.4Very high96.3Very high3 Ų361.7 Ų61.72%0.01532%0.324CS..Hα-helixtrans-58.6-52.8176.1-67.2160.5000109.9E347 L348 L353 S354 C355 I369 M372 L373 A376E347-I351 WeakPolarHBondContact O-CD1 3.23Å; E347-I351 VanDerWaalsContact O-CG1 3.23Å; E347-I351 WeakPolarHBondContact O-CG1 3.39Å; E347-I351 PolarHBondContact O-N 2.87Å; L348-I351 PolarHBondContact O-N 3.49Å; I351-L353 PolarHBondContact O-N 2.88Å; I351-S354 PolarHBondContact O-N 2.88Å; I351-S354 PolarHBondContact O-OG 3.13Å; I351-C355 PolarHBondContact O-N 3.34Å; I351-C355 PolarHBondContact O-SG 3.48Å; I351-I369 HydrophobicContact CG2-CG2 4.41Å; I351-M372 HydrophobicContact CD1-CB 3.72Å; I351-M372 HydrophobicContact CG1-CB 3.76Å; I351-M372 HydrophobicContact CG1-CE 3.64Å; I351-M372 HydrophobicContact CG1-SD 4.33Å; I351-L373 HydrophobicContact CD1-CD2 3.89Å; I351-L373 HydrophobicContact CD1-CG 4.1Å; I351-L373 HydrophobicContact CG2-CD2 4.27Å; I351-L373 HydrophobicContact CG2-CG 4.25Å; I351-A376 HydrophobicContact CD1-CB 4.23Å
352M98.3Very high96.5Very high0 Ų065.1 Ų65.10%034%0.339CS..Hα-helixtrans-54.5-49.9-179.7-174.9-162.77700112.3G299 A302 W303 M306 A340 L348 K349 C355 M356G299-M352 WeakPolarHBondContact O-CG 3.25Å; A302-M352 HydrophobicContact CB-CB 4.49Å; A302-M352 HydrophobicContact CB-CG 4.21Å; W303-M352 HydrophobicContact CB-CG 4.42Å; W303-M352 HydrophobicContact CB-SD 3.63Å; W303-M352 HydrophobicContact CG-SD 4.15Å; M306-M352 HydrophobicContact CE-CB 3.99Å; M306-M352 HydrophobicContact CE-CG 4.45Å; M306-M352 HydrophobicContact CE-SD 4.5Å; M306-M352 HydrophobicContact SD-CB 4.37Å; M306-M352 HydrophobicContact SD-CG 4.47Å; M306-M352 HydrophobicContact SD-SD 3.79Å; A340-M352 HydrophobicContact CB-CE 3.89Å; A340-M352 HydrophobicContact CB-SD 4.35Å; L348-M352 WeakPolarHBondContact O-CB 3.49Å; L348-M352 PolarHBondContact O-N 2.86Å; K349-M352 PolarHBondContact O-N 2.78Å; M352-C355 WeakPolarHBondContact O-CB 3.09Å; M352-C355 PolarHBondContact O-N 3.26Å; M352-M356 HydrophobicContact CE-CE 4Å; M352-M356 HydrophobicContact CG-CE 3.86Å; M352-M356 HydrophobicContact SD-CE 4.38Å
353L97.3Very high96.8Very high65 Ų6555.3 Ų55.334%0.3430%0.296SS..Hα-helixtrans-67.3-36.9-179.7-69.2173.4000112.4R337 K349 I351 C355 M356R337-L353 HydrophobicContact CB-CD2 4.07Å; K349-L353 HydrophobicContact CG-CD1 3.96Å; K349-L353 WeakPolarHBondContact O-CB 3.3Å; K349-L353 WeakPolarHBondContact O-CG 3.28Å; K349-L353 PolarHBondContact O-N 3.42Å; I351-L353 PolarHBondContact O-N 2.88Å; L353-C355 VanDerWaalsContact C-N 3.25Å; L353-C355 PolarHBondContact O-N 3.27Å; L353-M356 HydrophobicContact CD2-CE 4.38Å; L353-M356 CarbonylContact O-C 3.53Å; L353-M356 PolarHBondContact O-N 2.79Å; L353-M356 VanDerWaalsContact O-N 3.07Å
354S97.8Very high97Very high34 Ų3449.6 Ų49.624%0.23827%0.267CS..Hα-helixtrans-62.1-33.417775.60000112.7K350 I351 M356 H357 P364K350-S354 WeakPolarHBondContact O-CB 3.29Å; K350-S354 PolarHBondContact O-N 2.93Å; K350-S354 PolarHBondContact O-OG 3.37Å; I351-S354 PolarHBondContact O-N 2.88Å; I351-S354 PolarHBondContact O-OG 3.13Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 2.96Å; S354-H357 PolarHBondContact O-N 2.86Å; S354-P364 VanDerWaalsContact O-CD 3.31Å; S354-P364 WeakPolarHBondContact O-CD 3.24Å
355C98.4Very high97.1Very high0 Ų051.6 Ų51.60%028%0.277CS..Hα-helixtrans-67.1-29.8175-66.20000112.7V295 W296 I351 M352 L353 R363V295-C355 HydrophobicContact CG1-CB 3.9Å; V295-C355 WeakPolarHBondContact O-CB 3.37Å; W296-C355 WeakPolarHBondContact CA-O 3.28Å; I351-C355 PolarHBondContact O-N 3.34Å; I351-C355 PolarHBondContact O-SG 3.48Å; M352-C355 WeakPolarHBondContact O-CB 3.09Å; M352-C355 PolarHBondContact O-N 3.26Å; L353-C355 VanDerWaalsContact C-N 3.25Å; L353-C355 PolarHBondContact O-N 3.27Å; C355-R363 VanDerWaalsContact O-CD 3.28Å; C355-R363 WeakPolarHBondContact O-CD 3.32Å; C355-R363 WeakPolarHBondContact O-CG 3.38Å
356M97.4Very high97.2Very high0 Ų050.4 Ų50.40%027%0.269CS..THydrogen-bonded Turntrans-98.327.3-179.9-62.3-178.8-70.600112.9W296 V300 R337 L338 M352 L353 S354W296-M356 HydrophobicContact CD2-CB 4.25Å; W296-M356 HydrophobicContact CD2-CG 4.22Å; W296-M356 HydrophobicContact CE3-CB 4.04Å; W296-M356 HydrophobicContact CE3-CG 4.49Å; W296-M356 HydrophobicContact CH2-CB 4.42Å; W296-M356 HydrophobicContact CZ3-CB 4.14Å; W296-M356 WeakPolarHBondContact CZ3-O 3.46Å; V300-M356 HydrophobicContact CG2-SD 4Å; R337-M356 PolarHBondContact NE-O 3.19Å; R337-M356 PolarHBondContact NH2-O 2.89Å; L338-M356 HydrophobicContact CB-CE 4.46Å; L338-M356 HydrophobicContact CD1-SD 4.31Å; M352-M356 HydrophobicContact CE-CE 4Å; M352-M356 HydrophobicContact CG-CE 3.86Å; M352-M356 HydrophobicContact SD-CE 4.38Å; L353-M356 HydrophobicContact CD2-CE 4.38Å; L353-M356 CarbonylContact O-C 3.53Å; L353-M356 PolarHBondContact O-N 2.79Å; L353-M356 VanDerWaalsContact O-N 3.07Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 2.96Å
357H96.1Very high97.3Very high70 Ų7051.1 Ų51.132%0.32426%0.262SS..  trans-63.4139.2174.7-165.3-76.7000111.1S354 V359 L362 R363S354-H357 PolarHBondContact O-N 2.86Å; H357-V359 PolarHBondContact ND1-N 3.41Å; H357-V359 PolarHBondContact ND1-O 2.71Å; H357-V359 PolarHBondContact O-N 3.42Å; H357-L362 WeakPolarHBondContact CE1-CD1 3.28Å; H357-R363 HydrophobicContact CB-CG 3.89Å; H357-R363 PolarHBondContact O-NE 2.84Å; H357-R363 PolarHBondContact O-NH2 3.13Å
358I93.8Very high97.4Very high66 Ų6650.3 Ų50.334%0.33826%0.26SS..SBendtrans-62.6-45.8-177.2-164.862.4000111.6P283 P360 R363P283-I358 HydrophobicContact CG-CD1 4.2Å; I358-P360 VanDerWaalsContact O-CD 3.31Å; I358-P360 WeakPolarHBondContact O-CD 3.33Å; I358-R363 PolarHBondContact O-NH2 3.06Å
359V94.1Very high97.4Very high66 Ų6650.2 Ų50.240%0.426%0.26SS..SBendtrans-74.9116175.6-176.30000109.7H357 N361 L362H357-V359 PolarHBondContact ND1-N 3.41Å; H357-V359 PolarHBondContact ND1-O 2.71Å; H357-V359 PolarHBondContact O-N 3.42Å; V359-N361 VanDerWaalsContact C-N 3.29Å; V359-N361 PolarHBondContact O-N 2.93Å; V359-L362 HydrophobicContact CB-CB 4.33Å; V359-L362 HydrophobicContact CB-CD1 3.97Å; V359-L362 HydrophobicContact CB-CG 4.08Å; V359-L362 HydrophobicContact CG1-CD1 4.26Å; V359-L362 HydrophobicContact CG1-CG 4.05Å; V359-L362 HydrophobicContact CG2-CD1 4.29Å; V359-L362 PolarHBondContact O-N 3.08Å; V359-L362 VanDerWaalsContact O-N 3.11Å
360P95.6Very high97.4Very high37 Ų3748.7 Ų48.724%0.2425%0.251CS..G310 helixtrans-59.6-35.2-174.2-2634.9000114.4E284 R292 I358 L362 R363E284-P360 HydrophobicContact CG-CG 3.77Å; R292-P360 HydrophobicContact CB-CB 3.94Å; R292-P360 HydrophobicContact CG-CB 4.43Å; R292-P360 PolarHBondContact NH1-O 2.85Å; I358-P360 VanDerWaalsContact O-CD 3.31Å; I358-P360 WeakPolarHBondContact O-CD 3.33Å; P360-L362 PolarHBondContact O-N 2.93Å; P360-R363 WeakPolarHBondContact O-CB 3.42Å; P360-R363 PolarHBondContact O-N 2.85Å
361N95.9Very high97.5Very high128 Ų12845.5 Ų45.568%0.68424%0.242SC*.G310 helixtrans-69.6-22.1-178.8-70-20.1000113.3R292 V359R292-N361 PolarHBondContact NH1-O 3.1Å; V359-N361 VanDerWaalsContact C-N 3.29Å; V359-N361 PolarHBondContact O-N 2.93Å
362L97.3Very high97.5Very high115 Ų11547.5 Ų47.560%0.60225%0.252SS*.G310 helixtrans-86.9-9.4177.2-64.3-178.3000113H357 V359 P360H357-L362 WeakPolarHBondContact CE1-CD1 3.28Å; V359-L362 HydrophobicContact CB-CB 4.33Å; V359-L362 HydrophobicContact CB-CD1 3.97Å; V359-L362 HydrophobicContact CB-CG 4.08Å; V359-L362 HydrophobicContact CG1-CD1 4.26Å; V359-L362 HydrophobicContact CG1-CG 4.05Å; V359-L362 HydrophobicContact CG2-CD1 4.29Å; V359-L362 PolarHBondContact O-N 3.08Å; V359-L362 VanDerWaalsContact O-N 3.11Å; P360-L362 PolarHBondContact O-N 2.93Å
363R98.2Very high97.5Very high4 Ų447.6 Ų47.62%0.01525%0.253CS..SBendtrans-68.5142.9169.5-57174.6-167.715410.1109.3E284 R292 V295 C355 H357 I358 P360E284-R363 VanDerWaalsContact CD-NH2 3.26Å; E284-R363 IonicContact OE1-CZ 2.83Å; E284-R363 IonicContact OE1-NH1 2.69Å; E284-R363 PolarHBondContact OE1-NH1 3.35Å; E284-R363 IonicContact OE1-NH2 3.73Å; E284-R363 PolarHBondContact OE1-NH2 2.92Å; E284-R363 IonicContact OE2-NH2 2.73Å; E284-R363 PolarHBondContact OE2-NH2 3.38Å; R292-R363 PolarHBondContact NH1-O 2.77Å; R292-R363 WeakPolarHBondContact O-CD 3.39Å; R292-R363 PolarHBondContact O-NH1 2.98Å; V295-R363 HydrophobicContact CG1-CB 3.81Å; C355-R363 VanDerWaalsContact O-CD 3.28Å; C355-R363 WeakPolarHBondContact O-CD 3.32Å; C355-R363 WeakPolarHBondContact O-CG 3.38Å; H357-R363 HydrophobicContact CB-CG 3.89Å; H357-R363 PolarHBondContact O-NE 2.84Å; H357-R363 PolarHBondContact O-NH2 3.13Å; I358-R363 PolarHBondContact O-NH2 3.06Å; P360-R363 WeakPolarHBondContact O-CB 3.42Å; P360-R363 PolarHBondContact O-N 2.85Å
364P98.4Very high97.5Very high12 Ų1248.5 Ų48.58%0.07826%0.255CS..PPolyproline II helixtrans-65.5156.5172.129.8-35.9000110.9V295 S354 L368 I369V295-P364 WeakPolarHBondContact CG1-O 3.45Å; V295-P364 WeakPolarHBondContact CG2-O 3.35Å; S354-P364 VanDerWaalsContact O-CD 3.31Å; S354-P364 WeakPolarHBondContact O-CD 3.24Å; P364-L368 HydrophobicContact CB-CB 4.12Å; P364-L368 HydrophobicContact CB-CD2 3.77Å; P364-L368 HydrophobicContact CB-CG 4.02Å; P364-I369 HydrophobicContact CB-CG1 3.86Å; P364-I369 HydrophobicContact CG-CD1 3.97Å; P364-I369 HydrophobicContact CG-CG1 3.52Å
365N98.3Very high97.6Very high56 Ų5651.9 Ų51.930%0.29927%0.27SS..PPolyproline II helixtrans-83.3169.2166.66515.1000110.4I367 L368 I369N365-I367 PolarHBondContact O-N 3.21Å; N365-I367 PolarHBondContact OD1-N 3.41Å; N365-L368 PolarHBondContact O-N 2.93Å; N365-L368 VanDerWaalsContact O-N 3.16Å; N365-L368 WeakPolarHBondContact OD1-CB 3.23Å; N365-L368 PolarHBondContact OD1-N 2.84Å; N365-I369 VanDerWaalsContact O-CG1 3.32Å; N365-I369 WeakPolarHBondContact O-CG1 3.33Å; N365-I369 PolarHBondContact O-N 3.12Å
366F98.6Very high97.5Very high1 Ų152.3 Ų52.30%0.00427%0.274CS..Hα-helixtrans-64.6-26.1-176.9-75.2-66.8000114.2M229 E230 E291 D294 V295 F298 I369 R370M229-F366 HydrophobicContact CB-CD1 3.42Å; M229-F366 VanDerWaalsContact CB-CD1 3.42Å; M229-F366 HydrophobicContact CB-CD2 3.88Å; M229-F366 HydrophobicContact CB-CE1 3.36Å; M229-F366 HydrophobicContact CB-CE2 3.83Å; M229-F366 HydrophobicContact CB-CG 3.69Å; M229-F366 HydrophobicContact CB-CZ 3.58Å; M229-F366 HydrophobicContact CE-CE1 4.49Å; M229-F366 HydrophobicContact CE-CE2 3.67Å; M229-F366 HydrophobicContact CE-CZ 3.63Å; M229-F366 HydrophobicContact CG-CD1 4.33Å; M229-F366 HydrophobicContact CG-CE1 3.81Å; M229-F366 HydrophobicContact CG-CE2 4.48Å; M229-F366 HydrophobicContact CG-CZ 3.89Å; E230-F366 HydrophobicContact CB-CB 3.9Å; E291-F366 HydrophobicContact CG-CD2 3.78Å; E291-F366 HydrophobicContact CG-CE2 3.91Å; E291-F366 PolarHBondContact OE1-N 2.82Å; D294-F366 HydrophobicContact CB-CE2 4.05Å; D294-F366 HydrophobicContact CB-CZ 4.03Å; V295-F366 HydrophobicContact CB-CZ 4.44Å; V295-F366 HydrophobicContact CG2-CD2 4.13Å; V295-F366 HydrophobicContact CG2-CE1 4.22Å; V295-F366 HydrophobicContact CG2-CE2 3.74Å; V295-F366 HydrophobicContact CG2-CZ 3.78Å; F298-F366 HydrophobicContact CB-CE1 3.82Å; F298-F366 HydrophobicContact CB-CZ 4.26Å; F298-F366 HydrophobicContact CD2-CE1 4.04Å; F298-F366 AromaticContact CG-CE1 3.94Å; F298-F366 HydrophobicContact CG-CE1 3.94Å; F366-I369 HydrophobicContact CD1-CD1 3.89Å; F366-I369 HydrophobicContact CE1-CD1 4.15Å; F366-R370 WeakPolarHBondContact O-CB 3.26Å; F366-R370 PolarHBondContact O-N 3.29Å
367I98.6Very high97.6Very high89 Ų8952.6 Ų52.646%0.45628%0.276SS..Hα-helixtrans-61.8-51.4173-58.1172.9000110E230 N365 R370 V371E230-I367 HydrophobicContact CG-CG1 4Å; N365-I367 PolarHBondContact O-N 3.21Å; N365-I367 PolarHBondContact OD1-N 3.41Å; I367-R370 PolarHBondContact O-N 3.45Å; I367-V371 WeakPolarHBondContact O-CG2 3.36Å; I367-V371 PolarHBondContact O-N 3.23Å; I367-V371 VanDerWaalsContact O-N 3.08Å
368L98.5Very high97.6Very high85 Ų8554.1 Ų54.145%0.44529%0.286SS..Hα-helixtrans-65.6-41.8179.9-179.956.6000111.4P364 N365 R370 V371 M372P364-L368 HydrophobicContact CB-CB 4.12Å; P364-L368 HydrophobicContact CB-CD2 3.77Å; P364-L368 HydrophobicContact CB-CG 4.02Å; N365-L368 PolarHBondContact O-N 2.93Å; N365-L368 VanDerWaalsContact O-N 3.16Å; N365-L368 WeakPolarHBondContact OD1-CB 3.23Å; N365-L368 PolarHBondContact OD1-N 2.84Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 2.88Å; L368-V371 PolarHBondContact O-N 2.85Å; L368-M372 HydrophobicContact CD1-CG 4.11Å; L368-M372 HydrophobicContact CD1-SD 4.24Å; L368-M372 HydrophobicContact CG-CG 4.4Å; L368-M372 HydrophobicContact CG-SD 4Å; L368-M372 VanDerWaalsContact O-CG 3.28Å; L368-M372 WeakPolarHBondContact O-CG 3.27Å; L368-M372 PolarHBondContact O-N 2.73Å
369I98.8Very high97.8Very high0 Ų052.4 Ų52.40%028%0.284CS..Hα-helixtrans-57.2-47.8175.3-65.6167000110.7A226 V295 F298 I351 P364 N365 F366 V371 M372 L373A226-I369 HydrophobicContact CB-CG2 3.89Å; V295-I369 HydrophobicContact CG1-CD1 3.82Å; V295-I369 HydrophobicContact CG2-CD1 4.09Å; F298-I369 HydrophobicContact CD1-CD1 4.36Å; F298-I369 HydrophobicContact CD1-CG2 4.05Å; F298-I369 HydrophobicContact CE1-CG2 3.46Å; F298-I369 VanDerWaalsContact CE1-CG2 3.46Å; F298-I369 HydrophobicContact CZ-CG2 3.82Å; I351-I369 HydrophobicContact CG2-CG2 4.41Å; P364-I369 HydrophobicContact CB-CG1 3.86Å; P364-I369 HydrophobicContact CG-CD1 3.97Å; P364-I369 HydrophobicContact CG-CG1 3.52Å; N365-I369 VanDerWaalsContact O-CG1 3.32Å; N365-I369 WeakPolarHBondContact O-CG1 3.33Å; N365-I369 PolarHBondContact O-N 3.12Å; F366-I369 HydrophobicContact CD1-CD1 3.89Å; F366-I369 HydrophobicContact CE1-CD1 4.15Å; I369-V371 PolarHBondContact O-N 2.92Å; I369-M372 PolarHBondContact O-N 2.94Å; I369-L373 HydrophobicContact CG2-CD1 3.64Å; I369-L373 HydrophobicContact CG2-CG 4.42Å; I369-L373 WeakPolarHBondContact O-CB 3.36Å; I369-L373 WeakPolarHBondContact O-CG 3.24Å; I369-L373 PolarHBondContact O-N 3.15Å
370R98.6Very high97.9Very high67 Ų6750 Ų5025%0.25327%0.269SS..Hα-helixtrans-58.2-47.4177.2-179.7-173.353.375.41.1111.3L223 A226 K227 E230 F366 I367 L368 L373 Q374L223-R370 HydrophobicContact CD1-CG 3.74Å; L223-R370 WeakPolarHBondContact CD1-O 3.4Å; A226-R370 HydrophobicContact CB-CB 4.47Å; K227-R370 HydrophobicContact CG-CG 4.14Å; E230-R370 VanDerWaalsContact CD-NE 3.29Å; E230-R370 IonicContact OE1-CZ 2.79Å; E230-R370 IonicContact OE1-NE 2.95Å; E230-R370 PolarHBondContact OE1-NE 3.06Å; E230-R370 VanDerWaalsContact OE1-NE 3.12Å; E230-R370 IonicContact OE1-NH2 3.31Å; E230-R370 PolarHBondContact OE1-NH2 3.27Å; E230-R370 VanDerWaalsContact OE1-NH2 3.14Å; E230-R370 WeakPolarHBondContact OE2-CD 3.47Å; E230-R370 IonicContact OE2-CZ 2.67Å; E230-R370 IonicContact OE2-NE 3.53Å; E230-R370 PolarHBondContact OE2-NE 3.41Å; F366-R370 WeakPolarHBondContact O-CB 3.26Å; F366-R370 PolarHBondContact O-N 3.29Å; I367-R370 PolarHBondContact O-N 3.45Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 2.88Å; R370-L373 PolarHBondContact O-N 3.34Å; R370-Q374 WeakPolarHBondContact O-CB 3.24Å; R370-Q374 PolarHBondContact O-N 2.89Å
371V98.6Very high97.9Very high58 Ų5852 Ų5235%0.35227%0.274SS..Hα-helixtrans-61.4-45.6-179.9171.90000111.2I367 L368 I369 L373 Q374 N375I367-V371 WeakPolarHBondContact O-CG2 3.36Å; I367-V371 PolarHBondContact O-N 3.23Å; I367-V371 VanDerWaalsContact O-N 3.08Å; L368-V371 PolarHBondContact O-N 2.85Å; I369-V371 PolarHBondContact O-N 2.92Å; V371-L373 PolarHBondContact O-N 3.13Å; V371-Q374 PolarHBondContact O-N 3.06Å; V371-N375 PolarHBondContact O-N 2.71Å; V371-N375 VanDerWaalsContact O-N 3.11Å
372M98.6Very high97.8Very high44 Ų4450 Ų5022%0.21726%0.263CS..Hα-helixtrans-62-42.9177.5-66.4172.877.800111.9I351 L368 I369 N375 A376I351-M372 HydrophobicContact CD1-CB 3.72Å; I351-M372 HydrophobicContact CG1-CB 3.76Å; I351-M372 HydrophobicContact CG1-CE 3.64Å; I351-M372 HydrophobicContact CG1-SD 4.33Å; L368-M372 HydrophobicContact CD1-CG 4.11Å; L368-M372 HydrophobicContact CD1-SD 4.24Å; L368-M372 HydrophobicContact CG-CG 4.4Å; L368-M372 HydrophobicContact CG-SD 4Å; L368-M372 VanDerWaalsContact O-CG 3.28Å; L368-M372 WeakPolarHBondContact O-CG 3.27Å; L368-M372 PolarHBondContact O-N 2.73Å; I369-M372 PolarHBondContact O-N 2.94Å; M372-N375 PolarHBondContact O-N 3.43Å; M372-A376 WeakPolarHBondContact O-CB 3.33Å; M372-A376 PolarHBondContact O-N 2.75Å
373L98.7Very high97.4Very high3 Ų350.1 Ų50.12%0.01626%0.26CS..Hα-helixtrans-68.1-37.6177.3-74.3165.6000112.5C222 L223 A226 F298 L348 I351 I369 R370 V371 N375 A376 V377C222-L373 HydrophobicContact CB-CD1 4.04Å; C222-L373 HydrophobicContact CB-CD2 3.8Å; L223-L373 HydrophobicContact CB-CB 4.08Å; L223-L373 HydrophobicContact CD1-CB 3.89Å; A226-L373 HydrophobicContact CB-CD1 3.79Å; F298-L373 HydrophobicContact CE1-CD1 4.15Å; F298-L373 HydrophobicContact CZ-CD1 3.68Å; L348-L373 HydrophobicContact CD2-CD2 3.93Å; I351-L373 HydrophobicContact CD1-CD2 3.89Å; I351-L373 HydrophobicContact CD1-CG 4.1Å; I351-L373 HydrophobicContact CG2-CD2 4.27Å; I351-L373 HydrophobicContact CG2-CG 4.25Å; I369-L373 HydrophobicContact CG2-CD1 3.64Å; I369-L373 HydrophobicContact CG2-CG 4.42Å; I369-L373 WeakPolarHBondContact O-CB 3.36Å; I369-L373 WeakPolarHBondContact O-CG 3.24Å; I369-L373 PolarHBondContact O-N 3.15Å; R370-L373 PolarHBondContact O-N 3.34Å; V371-L373 PolarHBondContact O-N 3.13Å; L373-N375 VanDerWaalsContact C-N 3.29Å; L373-N375 PolarHBondContact O-N 3.48Å; L373-A376 PolarHBondContact O-N 2.84Å; L373-V377 VanDerWaalsContact O-CG2 3.3Å; L373-V377 WeakPolarHBondContact O-CG2 3.35Å; L373-V377 PolarHBondContact O-N 3.24Å
374Q98.3Very high96.8Very high84 Ų8453.8 Ų53.839%0.39328%0.277SS..Hα-helixtrans-59.4-43.8175.4-173.668.861.500110.8L223 R370 V371 L378L223-Q374 HydrophobicContact CD1-CB 4.28Å; R370-Q374 WeakPolarHBondContact O-CB 3.24Å; R370-Q374 PolarHBondContact O-N 2.89Å; V371-Q374 PolarHBondContact O-N 3.06Å; Q374-L378 PolarHBondContact O-N 3.1Å; Q374-L378 VanDerWaalsContact O-N 3.11Å
375N98.2Very high96Very high105 Ų10558.9 Ų58.956%0.56130%0.3SS*.Hα-helixtrans-67.1-41.4175.6-67.7-16.8000111.8V371 M372 L373 L378 G379V371-N375 PolarHBondContact O-N 2.71Å; V371-N375 VanDerWaalsContact O-N 3.11Å; M372-N375 PolarHBondContact O-N 3.43Å; L373-N375 VanDerWaalsContact C-N 3.29Å; L373-N375 PolarHBondContact O-N 3.48Å; N375-L378 PolarHBondContact O-N 3.21Å; N375-G379 PolarHBondContact O-N 2.67Å
376A97.9Very high95.1Very high9 Ų962.5 Ų62.57%0.07432%0.315CS..Hα-helixtrans-62.8-43.517700000112E347 L348 I351 M372 L373 L378 G379 L380E347-A376 HydrophobicContact CB-CB 4.33Å; L348-A376 HydrophobicContact CD2-CB 3.92Å; I351-A376 HydrophobicContact CD1-CB 4.23Å; M372-A376 WeakPolarHBondContact O-CB 3.33Å; M372-A376 PolarHBondContact O-N 2.75Å; L373-A376 PolarHBondContact O-N 2.84Å; A376-L378 PolarHBondContact O-N 3.26Å; A376-G379 PolarHBondContact O-N 3.28Å; A376-L380 WeakPolarHBondContact O-CB 3.49Å; A376-L380 VanDerWaalsContact O-CG 3.24Å; A376-L380 WeakPolarHBondContact O-CG 3.33Å; A376-L380 PolarHBondContact O-N 3.33Å
377V97.8Very high94Very high6 Ų667 Ų674%0.03634%0.342CS..Hα-helixtrans-60.2-46.2175.3170.70000110.7A219 E220 L223 L373 L380 K381A219-V377 HydrophobicContact CB-CG2 3.57Å; E220-V377 HydrophobicContact CG-CG1 3.95Å; E220-V377 HydrophobicContact CG-CG2 4.22Å; L223-V377 HydrophobicContact CB-CG2 4.43Å; L223-V377 HydrophobicContact CD2-CG2 4.11Å; L373-V377 VanDerWaalsContact O-CG2 3.3Å; L373-V377 WeakPolarHBondContact O-CG2 3.35Å; L373-V377 PolarHBondContact O-N 3.24Å; V377-L380 PolarHBondContact O-N 3Å; V377-K381 HydrophobicContact CG1-CD 4.23Å; V377-K381 WeakPolarHBondContact O-CG 3.14Å; V377-K381 PolarHBondContact O-N 2.79Å
378L97.3Very high92.7Very high102 Ų10265.9 Ų65.953%0.53434%0.343SS..Hα-helixtrans-61.9-46.5178.4-179.262000111.6Q374 N375 A376 L380 K381 L382Q374-L378 PolarHBondContact O-N 3.1Å; Q374-L378 VanDerWaalsContact O-N 3.11Å; N375-L378 PolarHBondContact O-N 3.21Å; A376-L378 PolarHBondContact O-N 3.26Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L378-L380 PolarHBondContact O-N 3.12Å; L378-K381 PolarHBondContact O-N 2.98Å; L378-L382 HydrophobicContact CG-CD1 4.31Å; L378-L382 WeakPolarHBondContact O-CG 3.32Å; L378-L382 PolarHBondContact O-N 3.5Å; L378-L382 VanDerWaalsContact O-N 3.09Å
379G97.1Very high91.4Very high30 Ų3066.5 Ų66.531%0.30935%0.35SS..Hα-helixtrans-60.9-41.2178.400000113N375 A376 L382 Q383N375-G379 PolarHBondContact O-N 2.67Å; A376-G379 PolarHBondContact O-N 3.28Å; G379-L382 PolarHBondContact O-N 2.97Å; G379-Q383 WeakPolarHBondContact O-CG 3.1Å; G379-Q383 PolarHBondContact O-N 2.97Å; G379-Q383 VanDerWaalsContact O-N 3.16Å
380L96Very high89.7Confident15 Ų1570 Ų708%0.07937%0.371CS..Hα-helixtrans-67.7-39.8177.7-70.3168.1000112.5W215 V216 A219 P345 L348 A376 V377 L378 Q383 E384W215-L380 HydrophobicContact CB-CD1 4.34Å; W215-L380 HydrophobicContact CB-CD2 4.37Å; V216-L380 HydrophobicContact CG2-CB 3.52Å; A219-L380 HydrophobicContact CB-CD1 3.84Å; P345-L380 HydrophobicContact CB-CD2 3.92Å; P345-L380 HydrophobicContact CG-CD1 4.35Å; P345-L380 HydrophobicContact CG-CD2 3.6Å; L348-L380 HydrophobicContact CD1-CD1 4.08Å; L348-L380 HydrophobicContact CG-CD1 4.46Å; A376-L380 WeakPolarHBondContact O-CB 3.49Å; A376-L380 VanDerWaalsContact O-CG 3.24Å; A376-L380 WeakPolarHBondContact O-CG 3.33Å; A376-L380 PolarHBondContact O-N 3.33Å; V377-L380 PolarHBondContact O-N 3Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L378-L380 PolarHBondContact O-N 3.12Å; L380-Q383 PolarHBondContact O-N 3.45Å; L380-E384 PolarHBondContact O-N 2.81Å
381K95.2Very high88.1Confident80 Ų8070.7 Ų70.735%0.34838%0.383SS..Hα-helixtrans-62.1-43.9175.9-74.8-177.2179-172.50112V216 E220 V377 L378 Q383 E384 E385V216-K381 HydrophobicContact CG1-CD 4.29Å; V216-K381 VanDerWaalsContact CG1-CE 3.46Å; V216-K381 HydrophobicContact CG1-CG 3.7Å; V216-K381 HydrophobicContact CG2-CG 4.01Å; E220-K381 WeakPolarHBondContact OE1-CE 3.47Å; E220-K381 IonicContact OE1-NZ 2.64Å; E220-K381 PolarHBondContact OE1-NZ 2.84Å; V377-K381 HydrophobicContact CG1-CD 4.23Å; V377-K381 WeakPolarHBondContact O-CG 3.14Å; V377-K381 PolarHBondContact O-N 2.79Å; L378-K381 PolarHBondContact O-N 2.98Å; K381-Q383 VanDerWaalsContact C-N 3.29Å; K381-Q383 PolarHBondContact O-N 3.37Å; K381-E384 PolarHBondContact O-N 3.41Å; K381-E385 WeakPolarHBondContact O-CG 3.2Å; K381-E385 PolarHBondContact O-N 2.6Å
382L93.9Very high86.5Confident86 Ų8672.6 Ų72.645%0.4539%0.39SS..Hα-helixtrans-61.9-36.9176.5-70.8171.9000112.4L378 G379 Q386L378-L382 HydrophobicContact CG-CD1 4.31Å; L378-L382 WeakPolarHBondContact O-CG 3.32Å; L378-L382 PolarHBondContact O-N 3.5Å; L378-L382 VanDerWaalsContact O-N 3.09Å; G379-L382 PolarHBondContact O-N 2.97Å; L382-Q386 WeakPolarHBondContact O-CG 3.49Å; L382-Q386 PolarHBondContact O-N 3.07Å
383Q89.7Confident84.7Confident116 Ų11673.7 Ų73.754%0.54240%0.403SS..Hα-helixtrans-67-42.9175.2-72172.3-4.500112G379 L380 K381 E385 Q386 V387G379-Q383 WeakPolarHBondContact O-CG 3.1Å; G379-Q383 PolarHBondContact O-N 2.97Å; G379-Q383 VanDerWaalsContact O-N 3.16Å; L380-Q383 PolarHBondContact O-N 3.45Å; K381-Q383 VanDerWaalsContact C-N 3.29Å; K381-Q383 PolarHBondContact O-N 3.37Å; Q383-E385 VanDerWaalsContact C-N 3.33Å; Q383-E385 PolarHBondContact O-N 3.5Å; Q383-Q386 PolarHBondContact O-N 3.45Å; Q383-V387 WeakPolarHBondContact O-CG2 3.49Å; Q383-V387 PolarHBondContact O-N 2.96Å; Q383-V387 VanDerWaalsContact O-N 3.09Å
384E85.1Confident82.9Confident81 Ų8180.8 Ų80.838%0.37944%0.435SS..Hα-helixtrans-63.4-37.3176.1-73.5-177.3174.800112.1V216 L380 K381 S388V216-E384 HydrophobicContact CG2-CG 4.19Å; V216-E384 VanDerWaalsContact CG2-OE1 3.27Å; V216-E384 WeakPolarHBondContact CG2-OE1 3.45Å; V216-E384 WeakPolarHBondContact CG2-OE2 3.3Å; L380-E384 PolarHBondContact O-N 2.81Å; K381-E384 PolarHBondContact O-N 3.41Å; E384-S388 WeakPolarHBondContact O-CB 3.11Å; E384-S388 PolarHBondContact O-N 3.49Å; E384-S388 VanDerWaalsContact O-N 3.14Å; E384-S388 PolarHBondContact O-OG 3.04Å
385E83.1Confident81.1Confident120 Ų12082.2 Ų82.256%0.56145%0.45SS*.Hα-helixtrans-67.4-44.5175.2-73.8174.7-17600112K381 Q383 V387 S388 V389K381-E385 WeakPolarHBondContact O-CG 3.2Å; K381-E385 PolarHBondContact O-N 2.6Å; Q383-E385 VanDerWaalsContact C-N 3.33Å; Q383-E385 PolarHBondContact O-N 3.5Å; E385-V387 PolarHBondContact O-N 3.05Å; E385-S388 WeakPolarHBondContact O-CB 3.24Å; E385-S388 PolarHBondContact O-N 2.88Å; E385-V389 WeakPolarHBondContact O-CG2 3.35Å; E385-V389 PolarHBondContact O-N 3.17Å
386Q78.4Confident78.7Confident131 Ų13187.3 Ų87.361%0.61247%0.47SS*.Hα-helixtrans-61.6-43.7178-75.9178.6-0.600112.4L382 Q383 S388 V389 T390L382-Q386 WeakPolarHBondContact O-CG 3.49Å; L382-Q386 PolarHBondContact O-N 3.07Å; Q383-Q386 PolarHBondContact O-N 3.45Å; Q386-S388 VanDerWaalsContact C-N 3.27Å; Q386-S388 PolarHBondContact O-N 3.02Å; Q386-V389 PolarHBondContact O-N 3.4Å; Q386-T390 PolarHBondContact O-N 2.75Å; Q386-T390 PolarHBondContact O-OG1 3.42Å
387V75.7Confident77.8Confident95 Ų9591.3 Ų91.358%0.57649%0.49SS*.Hα-helixtrans-61.9-38.8176.11730000110.9Q383 E385 T391Q383-V387 WeakPolarHBondContact O-CG2 3.49Å; Q383-V387 PolarHBondContact O-N 2.96Å; Q383-V387 VanDerWaalsContact O-N 3.09Å; E385-V387 PolarHBondContact O-N 3.05Å; V387-T391 WeakPolarHBondContact O-CB 3.34Å; V387-T391 PolarHBondContact O-N 2.75Å; V387-T391 PolarHBondContact O-OG1 3.4Å
388S72.2Confident76.7Confident66 Ų6695.7 Ų95.746%0.46251%0.514SS..Hα-helixtrans-65.3-43178.1-56.10000111.8E384 E385 Q386 T391 I392E384-S388 WeakPolarHBondContact O-CB 3.11Å; E384-S388 PolarHBondContact O-N 3.49Å; E384-S388 VanDerWaalsContact O-N 3.14Å; E384-S388 PolarHBondContact O-OG 3.04Å; E385-S388 WeakPolarHBondContact O-CB 3.24Å; E385-S388 PolarHBondContact O-N 2.88Å; Q386-S388 VanDerWaalsContact C-N 3.27Å; Q386-S388 PolarHBondContact O-N 3.02Å; S388-T391 PolarHBondContact O-N 3.37Å; S388-I392 WeakPolarHBondContact O-CG1 3.46Å; S388-I392 PolarHBondContact O-N 3.22Å
389V69.7Low75.6Confident99 Ų9995.4 Ų95.460%0.651%0.513SS*.Hα-helixtrans-66.1-44.8176.7174.70000111.6E385 Q386 T391 I392 S393E385-V389 WeakPolarHBondContact O-CG2 3.35Å; E385-V389 PolarHBondContact O-N 3.17Å; Q386-V389 PolarHBondContact O-N 3.4Å; V389-T391 VanDerWaalsContact C-N 3.31Å; V389-T391 PolarHBondContact O-N 3.48Å; V389-I392 PolarHBondContact O-N 3.12Å; V389-S393 PolarHBondContact O-N 2.87Å; V389-S393 VanDerWaalsContact O-N 3.1Å; V389-S393 PolarHBondContact O-OG 2.97Å
390T64Low74.3Confident73 Ų7399.2 Ų99.245%0.44853%0.525SS..Hα-helixtrans-63.3-37.7178.2-55.50000111.8Q386 S393 H394Q386-T390 PolarHBondContact O-N 2.75Å; Q386-T390 PolarHBondContact O-OG1 3.42Å; T390-S393 WeakPolarHBondContact CA-OG 3.45Å; T390-S393 PolarHBondContact O-N 2.99Å; T390-S393 PolarHBondContact O-OG 3.18Å; T390-H394 PolarHBondContact O-CD2 3.06Å; T390-H394 PolarHBondContact O-N 3.41Å
391T64.2Low72.9Confident82 Ų82104.5 Ų104.550%0.50355%0.553SS.*Hα-helixtrans-64.3-43.3176.9-54.50000111.5V387 S388 V389 S393 H394 T395V387-T391 WeakPolarHBondContact O-CB 3.34Å; V387-T391 PolarHBondContact O-N 2.75Å; V387-T391 PolarHBondContact O-OG1 3.4Å; S388-T391 PolarHBondContact O-N 3.37Å; V389-T391 VanDerWaalsContact C-N 3.31Å; V389-T391 PolarHBondContact O-N 3.48Å; T391-S393 VanDerWaalsContact C-N 3.34Å; T391-S393 PolarHBondContact O-N 3.11Å; T391-H394 PolarHBondContact O-N 2.97Å; T391-T395 PolarHBondContact O-N 2.64Å; T391-T395 PolarHBondContact O-OG1 3.26Å
392I65Low71.4Confident97 Ų97106.1 Ų106.150%0.49757%0.566SS.*Hα-helixtrans-62.8-41.5177.7-65.8164.1000110.9S388 V389 H394 T395 Q396S388-I392 WeakPolarHBondContact O-CG1 3.46Å; S388-I392 PolarHBondContact O-N 3.22Å; V389-I392 PolarHBondContact O-N 3.12Å; I392-H394 VanDerWaalsContact C-N 3.25Å; I392-H394 PolarHBondContact O-N 3.06Å; I392-T395 WeakPolarHBondContact CA-OG1 3.5Å; I392-T395 PolarHBondContact O-N 2.81Å; I392-T395 PolarHBondContact O-OG1 3.29Å; I392-Q396 PolarHBondContact O-N 3.37Å
393S60.4Low69.8Low68 Ų68107.6 Ų107.648%0.47658%0.575SS.*Hα-helixtrans-68.4-17.9179.360.70000115.1V389 T390 T391V389-S393 PolarHBondContact O-N 2.87Å; V389-S393 VanDerWaalsContact O-N 3.1Å; V389-S393 PolarHBondContact O-OG 2.97Å; T390-S393 WeakPolarHBondContact CA-OG 3.45Å; T390-S393 PolarHBondContact O-N 2.99Å; T390-S393 PolarHBondContact O-OG 3.18Å; T391-S393 VanDerWaalsContact C-N 3.34Å; T391-S393 PolarHBondContact O-N 3.11Å
394H61.2Low68.3Low152 Ų152106.9 Ų106.970%0.70458%0.577SS**Hα-helixtrans-94.2-11.6174.6-74.5-56.6000113.4T390 T391 I392T390-H394 PolarHBondContact O-CD2 3.06Å; T390-H394 PolarHBondContact O-N 3.41Å; T391-H394 PolarHBondContact O-N 2.97Å; I392-H394 VanDerWaalsContact C-N 3.25Å; I392-H394 PolarHBondContact O-N 3.06Å
395T60.6Low66.9Low113 Ų113109.1 Ų109.169%0.69359%0.594SS**Hα-helixtrans-99.8-4176.349.40000114.2T391 I392T391-T395 PolarHBondContact O-N 2.64Å; T391-T395 PolarHBondContact O-OG1 3.26Å; I392-T395 WeakPolarHBondContact CA-OG1 3.5Å; I392-T395 PolarHBondContact O-N 2.81Å; I392-T395 PolarHBondContact O-OG1 3.29Å
396Q48.7Very low65.5Low213 Ų213108.1 Ų108.1100%0.99560%0.597SS**  trans-1000165.9-68.5-175.8-6.200109.1I392I392-Q396 PolarHBondContact O-N 3.37Å

Retrieved 396 of 396 residues in 767.1 ms (Link to these results)

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