A0A3Q0KQV3_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KQV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 623 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
1M42.9Very low69.7Low227 Ų22798.9 Ų98.9100%1.11854%0.536SS*.  093.40-165.4173.6167.400106.8V3M1-V3 PolarHBondContact O-N 3.26Å
2V43Very low71.3Confident129 Ų12997.9 Ų97.978%0.78254%0.542SS*.  trans-77.8102.5176.4-179.30000105.6L4V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 HydrophobicContact CG1-CD2 4.19Å; V2-L4 PolarHBondContact O-N 3.45Å
3V47.7Very low72.9Confident115 Ų11596.2 Ų96.270%0.69753%0.532SS*.  trans-68.794.3168.8-177.20000105.2M1 K5M1-V3 PolarHBondContact O-N 3.26Å; V3-K5 PolarHBondContact O-N 2.91Å
4L53.8Low74.3Confident148 Ų14890.9 Ų90.978%0.77550%0.5SS*.  trans-59.9106.2168-69.1172.3000105.4V2 V6V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 HydrophobicContact CG1-CD2 4.19Å; V2-L4 PolarHBondContact O-N 3.45Å; L4-V6 PolarHBondContact O-N 3.26Å
5K60.3Low75.5Confident199 Ų19992.5 Ų92.587%0.86551%0.508SS*.  trans-58.8107170.9-84.4-177.5174.7179.40106.2V3 S7V3-K5 PolarHBondContact O-N 2.91Å; K5-S7 PolarHBondContact O-N 3Å
6V73.3Confident76.5Confident85 Ų8587.4 Ų87.452%0.51548%0.48SS..  trans-56.5125.9173.1179.90000106.8L4 D10L4-V6 PolarHBondContact O-N 3.26Å; V6-D10 HydrophobicContact CG1-CB 3.47Å; V6-D10 VanDerWaalsContact CG1-CB 3.47Å
7S86.3Confident77.4Confident36 Ų3683.8 Ų83.825%0.25247%0.465SS..  trans-64.5148.5-179.9720000109.1K5 G9 D10 N13 E31K5-S7 PolarHBondContact O-N 3Å; S7-G9 PolarHBondContact O-N 2.94Å; S7-G9 VanDerWaalsContact O-N 3.12Å; S7-D10 WeakPolarHBondContact O-CB 3.22Å; S7-D10 PolarHBondContact O-N 3.19Å; S7-D10 PolarHBondContact OG-N 3.37Å; S7-N13 PolarHBondContact O-ND2 3.2Å; S7-E31 VanDerWaalsContact CB-OE2 3.28Å; S7-E31 WeakPolarHBondContact CB-OE2 3.28Å; S7-E31 PolarHBondContact OG-OE2 3.3Å
8P86.8Confident78.2Confident85 Ų8586.1 Ų86.155%0.55248%0.476SS*.THydrogen-bonded Turntrans-57.1-29.2177.8-24.833.9000112.8N13 F14 F37P8-N13 PolarHBondContact O-ND2 2.82Å; P8-N13 VanDerWaalsContact O-ND2 3.11Å; P8-F14 WeakPolarHBondContact O-CZ 3.41Å; P8-F37 HydrophobicContact CB-CD2 4.43Å; P8-F37 HydrophobicContact CB-CE1 4.13Å; P8-F37 HydrophobicContact CB-CE2 4.09Å; P8-F37 HydrophobicContact CB-CZ 3.94Å
9G88.6Confident78.9Confident2 Ų285.6 Ų85.62%0.02148%0.475CS..THydrogen-bonded Turntrans-84.9-1.2178.300000115.1S7 E31 L32S7-G9 PolarHBondContact O-N 2.94Å; S7-G9 VanDerWaalsContact O-N 3.12Å; G9-E31 WeakPolarHBondContact O-CA 3.43Å; G9-L32 WeakPolarHBondContact CA-O 3.49Å; G9-L32 PolarHBondContact O-N 2.89Å
10D91.9Very high79.6Confident54 Ų5481.3 Ų81.329%0.28945%0.452SS..BIsolated β-bridgetrans-63.4140.2-179.2-173.569.1000111.7V6 S7 S12 N13 F14V6-D10 HydrophobicContact CG1-CB 3.47Å; V6-D10 VanDerWaalsContact CG1-CB 3.47Å; S7-D10 WeakPolarHBondContact O-CB 3.22Å; S7-D10 PolarHBondContact O-N 3.19Å; S7-D10 PolarHBondContact OG-N 3.37Å; D10-S12 PolarHBondContact O-N 3.24Å; D10-S12 VanDerWaalsContact O-N 3.13Å; D10-S12 WeakPolarHBondContact OD2-CB 3.49Å; D10-S12 PolarHBondContact OD2-N 3.24Å; D10-S12 PolarHBondContact OD2-OG 2.88Å; D10-N13 WeakPolarHBondContact O-CB 3.46Å; D10-N13 PolarHBondContact O-N 3.27Å; D10-N13 VanDerWaalsContact O-N 3.1Å; D10-F14 VanDerWaalsContact O-CD2 3.28Å; D10-F14 WeakPolarHBondContact O-CD2 3.26Å; D10-F14 WeakPolarHBondContact O-CE2 3.01Å
11F91.6Very high80.2Confident8 Ų878.4 Ų78.44%0.03544%0.435CS..G310 helixtrans-61.4-25-176.5-57.8-42.9000113.2N13 F14 I16 I21 L24 R25 I29 S30 L32F11-N13 PolarHBondContact O-N 3.37Å; F11-N13 VanDerWaalsContact O-N 3.14Å; F11-F14 PolarHBondContact O-N 3.42Å; F11-F14 VanDerWaalsContact O-N 3.1Å; F11-I16 HydrophobicContact CD1-CD1 4.12Å; F11-I21 HydrophobicContact CB-CD1 4.21Å; F11-I21 HydrophobicContact CB-CG1 4.49Å; F11-I21 HydrophobicContact CD2-CG2 3.81Å; F11-I21 HydrophobicContact CE2-CG2 4.34Å; F11-I21 HydrophobicContact CG-CG2 4.44Å; F11-L24 HydrophobicContact CD1-CD1 4.5Å; F11-L24 HydrophobicContact CE1-CD1 3.81Å; F11-L24 HydrophobicContact CE2-CB 4.44Å; F11-L24 HydrophobicContact CZ-CB 4.01Å; F11-L24 HydrophobicContact CZ-CD1 3.92Å; F11-R25 HydrophobicContact CE2-CG 4.39Å; F11-I29 WeakPolarHBondContact CE2-O 3.48Å; F11-I29 HydrophobicContact CZ-CG2 4.12Å; F11-I29 WeakPolarHBondContact CZ-O 3.22Å; F11-S30 WeakPolarHBondContact CE2-O 3.14Å; F11-L32 HydrophobicContact CD1-CD2 4.38Å; F11-L32 HydrophobicContact CD1-CG 4.17Å; F11-L32 HydrophobicContact CE1-CD2 3.81Å; F11-L32 HydrophobicContact CE1-CG 4Å
12S89.6Confident82.6Confident87 Ų8773.8 Ų73.861%0.60841%0.411SS*.G310 helixtrans-63.5-18.8178.278.20000113.5D10 F14D10-S12 PolarHBondContact O-N 3.24Å; D10-S12 VanDerWaalsContact O-N 3.13Å; D10-S12 WeakPolarHBondContact OD2-CB 3.49Å; D10-S12 PolarHBondContact OD2-N 3.24Å; D10-S12 PolarHBondContact OD2-OG 2.88Å; S12-F14 PolarHBondContact O-N 2.97Å
13N92Very high85Confident75 Ų7570.7 Ų70.740%0.40139%0.387SS..G310 helixtrans-79.6-7.8179-59.1-27.3000112.7S7 P8 D10 F11S7-N13 PolarHBondContact O-ND2 3.2Å; P8-N13 PolarHBondContact O-ND2 2.82Å; P8-N13 VanDerWaalsContact O-ND2 3.11Å; D10-N13 WeakPolarHBondContact O-CB 3.46Å; D10-N13 PolarHBondContact O-N 3.27Å; D10-N13 VanDerWaalsContact O-N 3.1Å; F11-N13 PolarHBondContact O-N 3.37Å; F11-N13 VanDerWaalsContact O-N 3.14Å
14F93Very high87.2Confident22 Ų2265.2 Ų65.210%0.09635%0.354CS..SBendtrans-128.4143.6-169.8-53.9-69.7000111.9P8 D10 F11 S12 I16 L32 F37 Y40P8-F14 WeakPolarHBondContact O-CZ 3.41Å; D10-F14 VanDerWaalsContact O-CD2 3.28Å; D10-F14 WeakPolarHBondContact O-CD2 3.26Å; D10-F14 WeakPolarHBondContact O-CE2 3.01Å; F11-F14 PolarHBondContact O-N 3.42Å; F11-F14 VanDerWaalsContact O-N 3.1Å; S12-F14 PolarHBondContact O-N 2.97Å; F14-I16 HydrophobicContact CB-CD1 3.7Å; F14-I16 HydrophobicContact CB-CG1 3.77Å; F14-I16 HydrophobicContact CD2-CD1 4.45Å; F14-I16 HydrophobicContact CG-CD1 4.39Å; F14-I16 PolarHBondContact O-N 2.92Å; F14-L32 HydrophobicContact CD2-CD1 3.72Å; F14-L32 HydrophobicContact CE2-CD1 3.78Å; F14-L32 HydrophobicContact CE2-CG 4.49Å; F14-L32 HydrophobicContact CG-CD1 4.26Å; F14-L32 HydrophobicContact CZ-CD1 4.37Å; F14-F37 HydrophobicContact CE1-CB 4.18Å; F14-F37 HydrophobicContact CE2-CB 4.14Å; F14-F37 HydrophobicContact CZ-CB 3.49Å; F14-F37 VanDerWaalsContact CZ-CB 3.49Å; F14-Y40 HydrophobicContact CB-CD1 3.82Å; F14-Y40 HydrophobicContact CB-CE1 3.7Å; F14-Y40 AromaticContact CD1-CD1 3.5Å; F14-Y40 HydrophobicContact CD1-CD1 3.5Å; F14-Y40 VanDerWaalsContact CD1-CD1 3.5Å; F14-Y40 HydrophobicContact CD1-CE1 4.25Å; F14-Y40 AromaticContact CD1-CG 3.97Å; F14-Y40 HydrophobicContact CD1-CG 3.97Å; F14-Y40 HydrophobicContact CE1-CD1 4.49Å; F14-Y40 AromaticContact CG-CD1 3.94Å; F14-Y40 HydrophobicContact CG-CD1 3.94Å; F14-Y40 HydrophobicContact CG-CE1 4.33Å; F14-Y40 HydrophobicContact CG-CG 4.35Å
15N91.2Very high89.1Confident116 Ų11665.8 Ų65.862%0.6235%0.345SS*.  trans-80.370.5173.4-175.52000111Y40 N69 K73N15-Y40 PolarHBondContact O-OH 3.39Å; N15-N69 PolarHBondContact O-ND2 3.46Å; N15-K73 PolarHBondContact ND2-NZ 2.89Å
16I92.7Very high90.6Very high10 Ų1060.3 Ų60.35%0.05134%0.337CS..  trans-100.8133.6177.2-57.9163000108.6F11 F14 D18 I20 I21 L32 Y40 L65F11-I16 HydrophobicContact CD1-CD1 4.12Å; F14-I16 HydrophobicContact CB-CD1 3.7Å; F14-I16 HydrophobicContact CB-CG1 3.77Å; F14-I16 HydrophobicContact CD2-CD1 4.45Å; F14-I16 HydrophobicContact CG-CD1 4.39Å; F14-I16 PolarHBondContact O-N 2.92Å; I16-D18 PolarHBondContact O-N 2.96Å; I16-I20 HydrophobicContact CG2-CB 3.84Å; I16-I20 HydrophobicContact CG2-CD1 4.47Å; I16-I20 HydrophobicContact CG2-CG2 3.94Å; I16-I21 HydrophobicContact CB-CD1 4.22Å; I16-I21 HydrophobicContact CB-CG1 4.04Å; I16-I21 HydrophobicContact CG2-CD1 4.44Å; I16-I21 HydrophobicContact CG2-CG1 3.74Å; I16-L32 HydrophobicContact CD1-CD1 4.45Å; I16-Y40 HydrophobicContact CD1-CE2 4.29Å; I16-Y40 HydrophobicContact CG1-CE1 4.15Å; I16-Y40 HydrophobicContact CG1-CE2 3.73Å; I16-Y40 VanDerWaalsContact CG1-CZ 3.42Å; I16-Y40 WeakPolarHBondContact CG1-OH 3.31Å; I16-L65 HydrophobicContact CD1-CD2 4.09Å; I16-L65 HydrophobicContact CG2-CD1 4.35Å
17A90.9Very high91.3Very high27 Ų2761.1 Ų61.122%0.22333%0.331CS..  trans-60.2136.3174.900000111.9V19 I20 I21 N69A17-V19 PolarHBondContact O-N 3.04Å; A17-V19 VanDerWaalsContact O-N 3.11Å; A17-I20 HydrophobicContact CB-CD1 4.35Å; A17-I20 HydrophobicContact CB-CG1 4.4Å; A17-I20 WeakPolarHBondContact O-CA 3.49Å; A17-I20 WeakPolarHBondContact O-CB 3.31Å; A17-I20 PolarHBondContact O-N 3.03Å; A17-I21 PolarHBondContact O-N 2.83Å; A17-N69 PolarHBondContact N-OD1 2.94Å
18D91.5Very high91.4Very high124 Ų12466.6 Ų66.666%0.66336%0.357SS*.Hα-helixtrans-53.2-38.6-176.1-66.7-34.6000113.2I16 I20 I21 E22I16-D18 PolarHBondContact O-N 2.96Å; D18-I20 PolarHBondContact O-N 3.19Å; D18-I21 WeakPolarHBondContact O-CB 3.42Å; D18-I21 PolarHBondContact O-N 3.2Å; D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.12Å
19V91.7Very high91.5Very high77 Ų7764.4 Ų64.447%0.46734%0.341SS..Hα-helixtrans-61.9-32.2178.4-171.20000112.2A17 K23 V106A17-V19 PolarHBondContact O-N 3.04Å; A17-V19 VanDerWaalsContact O-N 3.11Å; V19-K23 PolarHBondContact O-N 3Å; V19-V106 HydrophobicContact CB-CG1 3.99Å; V19-V106 HydrophobicContact CG1-CB 4.41Å; V19-V106 HydrophobicContact CG1-CG1 3.4Å; V19-V106 VanDerWaalsContact CG1-CG1 3.4Å
20I92.8Very high91.5Very high0 Ų068.5 Ų68.50%037%0.369CS..Hα-helixtrans-74-42173.9-60.1175.5000110I16 A17 D18 E22 K23 L24 L65 V68 N69 I72 I104I16-I20 HydrophobicContact CG2-CB 3.84Å; I16-I20 HydrophobicContact CG2-CD1 4.47Å; I16-I20 HydrophobicContact CG2-CG2 3.94Å; A17-I20 HydrophobicContact CB-CD1 4.35Å; A17-I20 HydrophobicContact CB-CG1 4.4Å; A17-I20 WeakPolarHBondContact O-CA 3.49Å; A17-I20 WeakPolarHBondContact O-CB 3.31Å; A17-I20 PolarHBondContact O-N 3.03Å; D18-I20 PolarHBondContact O-N 3.19Å; I20-E22 VanDerWaalsContact C-N 3.29Å; I20-E22 PolarHBondContact O-N 3.29Å; I20-K23 WeakPolarHBondContact O-CB 3.44Å; I20-K23 PolarHBondContact O-N 3.25Å; I20-K23 VanDerWaalsContact O-N 3.1Å; I20-L24 HydrophobicContact CG2-CD1 4.16Å; I20-L24 HydrophobicContact CG2-CG 4.23Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.38Å; I20-L65 HydrophobicContact CG2-CD1 3.4Å; I20-V68 HydrophobicContact CD1-CG1 4.05Å; I20-N69 HydrophobicContact CD1-CB 3.87Å; I20-I72 HydrophobicContact CD1-CD1 3.68Å; I20-I72 HydrophobicContact CG1-CD1 3.77Å; I20-I104 HydrophobicContact CG2-CB 4.3Å
21I93.6Very high91.4Very high20 Ų2070.2 Ų70.210%0.10338%0.375CS..Hα-helixtrans-58.3-43.1177.5-62.3176.8000110.5F11 I16 A17 D18 K23 L24 R25F11-I21 HydrophobicContact CB-CD1 4.21Å; F11-I21 HydrophobicContact CB-CG1 4.49Å; F11-I21 HydrophobicContact CD2-CG2 3.81Å; F11-I21 HydrophobicContact CE2-CG2 4.34Å; F11-I21 HydrophobicContact CG-CG2 4.44Å; I16-I21 HydrophobicContact CB-CD1 4.22Å; I16-I21 HydrophobicContact CB-CG1 4.04Å; I16-I21 HydrophobicContact CG2-CD1 4.44Å; I16-I21 HydrophobicContact CG2-CG1 3.74Å; A17-I21 PolarHBondContact O-N 2.83Å; D18-I21 WeakPolarHBondContact O-CB 3.42Å; D18-I21 PolarHBondContact O-N 3.2Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.44Å; I21-L24 PolarHBondContact O-N 3Å; I21-R25 HydrophobicContact CG2-CG 4.49Å; I21-R25 WeakPolarHBondContact O-CG 3.44Å; I21-R25 PolarHBondContact O-N 3.16Å
22E93.4Very high91.5Very high130 Ų13070 Ų7061%0.60738%0.375SS*.Hα-helixtrans-58.3-44.1174.5-71.7179.1174.100112.2D18 I20 R25 A26D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.12Å; I20-E22 VanDerWaalsContact C-N 3.29Å; I20-E22 PolarHBondContact O-N 3.29Å; E22-R25 PolarHBondContact O-N 2.98Å; E22-A26 WeakPolarHBondContact O-CB 3.24Å; E22-A26 PolarHBondContact O-N 3.01Å
23K93Very high91.5Very high65 Ų6570.2 Ų70.228%0.28337%0.365SS..Hα-helixtrans-65.4-39.5176.4-78.7168.6155-98.80112.7V19 I20 I21 A26 R27 S103 S105V19-K23 PolarHBondContact O-N 3Å; I20-K23 WeakPolarHBondContact O-CB 3.44Å; I20-K23 PolarHBondContact O-N 3.25Å; I20-K23 VanDerWaalsContact O-N 3.1Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.44Å; K23-A26 PolarHBondContact O-N 3.02Å; K23-R27 WeakPolarHBondContact O-CG 3.4Å; K23-R27 PolarHBondContact O-N 3Å; K23-S103 WeakPolarHBondContact CD-O 3.5Å; K23-S103 PolarHBondContact NZ-O 3.49Å; K23-S105 WeakPolarHBondContact CE-O 3.36Å; K23-S105 PolarHBondContact NZ-O 3.49Å
24L93.6Very high91.4Very high0 Ų070 Ų700%037%0.367CS..Hα-helixtrans-63.3-45.9175-69.5174.7000111.1F11 I20 I21 A26 R27 N28 I29 L61 L65 I104F11-L24 HydrophobicContact CD1-CD1 4.5Å; F11-L24 HydrophobicContact CE1-CD1 3.81Å; F11-L24 HydrophobicContact CE2-CB 4.44Å; F11-L24 HydrophobicContact CZ-CB 4.01Å; F11-L24 HydrophobicContact CZ-CD1 3.92Å; I20-L24 HydrophobicContact CG2-CD1 4.16Å; I20-L24 HydrophobicContact CG2-CG 4.23Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.38Å; I21-L24 PolarHBondContact O-N 3Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.25Å; L24-R27 CarbonylContact O-C 3.56Å; L24-R27 WeakPolarHBondContact O-CA 3.5Å; L24-R27 WeakPolarHBondContact O-CB 3.27Å; L24-R27 PolarHBondContact O-N 3Å; L24-N28 PolarHBondContact O-N 2.85Å; L24-I29 HydrophobicContact CB-CB 4.29Å; L24-I29 HydrophobicContact CD2-CD1 3.94Å; L24-I29 WeakPolarHBondContact O-CB 3.36Å; L24-I29 PolarHBondContact O-N 2.91Å; L24-L61 HydrophobicContact CD2-CD1 4.08Å; L24-L61 HydrophobicContact CD2-CD2 3.97Å; L24-L65 HydrophobicContact CD1-CD1 3.98Å; L24-L65 HydrophobicContact CD1-CD2 4.39Å; L24-I104 HydrophobicContact CD2-CG2 3.87Å
25R93.3Very high91.3Very high160 Ų16069 Ų6960%0.60436%0.363SS*.Hα-helixtrans-62.6-39.2176.3-72.4178.3178.9166.92.1112.4F11 I21 E22 R27 N28F11-R25 HydrophobicContact CE2-CG 4.39Å; I21-R25 HydrophobicContact CG2-CG 4.49Å; I21-R25 WeakPolarHBondContact O-CG 3.44Å; I21-R25 PolarHBondContact O-N 3.16Å; E22-R25 PolarHBondContact O-N 2.98Å; R25-R27 PolarHBondContact O-N 2.91Å; R25-N28 WeakPolarHBondContact O-CA 3.45Å; R25-N28 PolarHBondContact O-N 3.48Å
26A91.8Very high91.5Very high83 Ų8363.8 Ų63.869%0.68634%0.335SS*.Hα-helixtrans-62.4-2317400000113.2E22 K23 L24 N28E22-A26 WeakPolarHBondContact O-CB 3.24Å; E22-A26 PolarHBondContact O-N 3.01Å; K23-A26 PolarHBondContact O-N 3.02Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.25Å; A26-N28 VanDerWaalsContact C-N 3.33Å
27R87.6Confident91.5Very high103 Ų10365.7 Ų65.739%0.38934%0.343SS..THydrogen-bonded Turntrans-90.19.7172-65.3-178.570.2-175.9-0.3113.3K23 L24 R25 I29 D100 S103K23-R27 WeakPolarHBondContact O-CG 3.4Å; K23-R27 PolarHBondContact O-N 3Å; L24-R27 CarbonylContact O-C 3.56Å; L24-R27 WeakPolarHBondContact O-CA 3.5Å; L24-R27 WeakPolarHBondContact O-CB 3.27Å; L24-R27 PolarHBondContact O-N 3Å; R25-R27 PolarHBondContact O-N 2.91Å; R27-I29 HydrophobicContact CB-CD1 4.16Å; R27-I29 HydrophobicContact CB-CG1 4.17Å; R27-I29 PolarHBondContact O-N 3.41Å; R27-D100 IonicContact CZ-OD1 2.62Å; R27-D100 IonicContact NH1-OD1 2.67Å; R27-D100 PolarHBondContact NH1-OD1 3.32Å; R27-D100 IonicContact NH2-OD1 3.57Å; R27-D100 PolarHBondContact NH2-OD1 3.48Å; R27-S103 PolarHBondContact NH1-OG 3.18Å
28N89.2Confident91.7Very high151 Ų15169.2 Ų69.281%0.80735%0.353SS*.THydrogen-bonded Turntrans59.130.8-173.4-54.8-57.5000113.8L24 R25 A26L24-N28 PolarHBondContact O-N 2.85Å; R25-N28 WeakPolarHBondContact O-CA 3.45Å; R25-N28 PolarHBondContact O-N 3.48Å; A26-N28 VanDerWaalsContact C-N 3.33Å
29I89.4Confident91.9Very high39 Ų3963.3 Ų63.320%0.232%0.321CS..  trans-95.5109.8171.6-55.4173.5000107F11 L24 R27 E31 L61F11-I29 WeakPolarHBondContact CE2-O 3.48Å; F11-I29 HydrophobicContact CZ-CG2 4.12Å; F11-I29 WeakPolarHBondContact CZ-O 3.22Å; L24-I29 HydrophobicContact CB-CB 4.29Å; L24-I29 HydrophobicContact CD2-CD1 3.94Å; L24-I29 WeakPolarHBondContact O-CB 3.36Å; L24-I29 PolarHBondContact O-N 2.91Å; R27-I29 HydrophobicContact CB-CD1 4.16Å; R27-I29 HydrophobicContact CB-CG1 4.17Å; R27-I29 PolarHBondContact O-N 3.41Å; I29-E31 WeakPolarHBondContact CG2-O 3.3Å; I29-L61 HydrophobicContact CD1-CD2 4.11Å
30S87Confident92.2Very high88 Ų8859.8 Ų59.862%0.61530%0.3SS*.  trans-95.8-26179.752.40000113.6F11F11-S30 WeakPolarHBondContact CE2-O 3.14Å
31E91.3Very high92.3Very high90 Ų9063.9 Ų63.942%0.42132%0.322SS..BIsolated β-bridgetrans-148159.1-179.860.7177.8-171.200111.1S7 G9 I29S7-E31 VanDerWaalsContact CB-OE2 3.28Å; S7-E31 WeakPolarHBondContact CB-OE2 3.28Å; S7-E31 PolarHBondContact OG-OE2 3.3Å; G9-E31 WeakPolarHBondContact O-CA 3.43Å; I29-E31 WeakPolarHBondContact CG2-O 3.3Å
32L92.3Very high92.3Very high4 Ų464.5 Ų64.52%0.02133%0.325CS..  trans-81.6137.7176-64.4-174000111.4G9 F11 F14 I16 Q36 F37 L61 L65G9-L32 WeakPolarHBondContact CA-O 3.49Å; G9-L32 PolarHBondContact O-N 2.89Å; F11-L32 HydrophobicContact CD1-CD2 4.38Å; F11-L32 HydrophobicContact CD1-CG 4.17Å; F11-L32 HydrophobicContact CE1-CD2 3.81Å; F11-L32 HydrophobicContact CE1-CG 4Å; F14-L32 HydrophobicContact CD2-CD1 3.72Å; F14-L32 HydrophobicContact CE2-CD1 3.78Å; F14-L32 HydrophobicContact CE2-CG 4.49Å; F14-L32 HydrophobicContact CG-CD1 4.26Å; F14-L32 HydrophobicContact CZ-CD1 4.37Å; I16-L32 HydrophobicContact CD1-CD1 4.45Å; L32-Q36 HydrophobicContact CB-CB 3.92Å; L32-Q36 HydrophobicContact CD1-CB 4.48Å; L32-Q36 HydrophobicContact CD2-CB 4.27Å; L32-Q36 HydrophobicContact CG-CB 4.45Å; L32-F37 HydrophobicContact CB-CB 4.1Å; L32-L61 HydrophobicContact CD2-CD2 4.5Å; L32-L65 HydrophobicContact CD1-CD2 4.19Å; L32-L65 HydrophobicContact CD2-CD2 3.67Å
33F89.9Confident92.5Very high91 Ų9158.5 Ų58.540%0.39930%0.297SS..  trans-69.3160.9173-70.1-45.8000112.4V35 Q36 F37 T57F33-V35 VanDerWaalsContact C-N 3.29Å; F33-V35 PolarHBondContact O-N 2.96Å; F33-V35 VanDerWaalsContact O-N 3.12Å; F33-Q36 HydrophobicContact CB-CG 4.38Å; F33-Q36 WeakPolarHBondContact O-CA 3.32Å; F33-Q36 WeakPolarHBondContact O-CB 3.49Å; F33-Q36 PolarHBondContact O-N 2.87Å; F33-F37 WeakPolarHBondContact O-CD1 3.45Å; F33-F37 PolarHBondContact O-N 3.14Å; F33-T57 WeakPolarHBondContact CB-O 3.4Å
34P89.9Confident92.6Very high69 Ų6957.6 Ų57.645%0.44830%0.299SS..Hα-helixtrans-47.5-42.6179.8-31.937000116.3Q36 F37 K38P34-Q36 VanDerWaalsContact C-N 3.3Å; P34-Q36 PolarHBondContact O-N 3.33Å; P34-F37 HydrophobicContact CB-CE1 4.04Å; P34-F37 HydrophobicContact CB-CZ 4.26Å; P34-F37 HydrophobicContact CG-CE1 4.06Å; P34-K38 VanDerWaalsContact O-CB 3.25Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 WeakPolarHBondContact O-CG 3.41Å; P34-K38 PolarHBondContact O-N 3.36Å
35V91.3Very high92.6Very high1 Ų161.5 Ų61.51%0.00633%0.326CS..Hα-helixtrans-67.4-33.3177.2700000112.2F33 T39 V51 A53 T57 A62 L221F33-V35 VanDerWaalsContact C-N 3.29Å; F33-V35 PolarHBondContact O-N 2.96Å; F33-V35 VanDerWaalsContact O-N 3.12Å; V35-T39 WeakPolarHBondContact O-CB 3.41Å; V35-T39 WeakPolarHBondContact O-CG2 3.47Å; V35-T39 PolarHBondContact O-N 2.75Å; V35-T39 PolarHBondContact O-OG1 2.87Å; V35-V51 HydrophobicContact CG2-CG1 3.54Å; V35-A53 HydrophobicContact CG2-CB 4.12Å; V35-T57 WeakPolarHBondContact CG1-O 3.47Å; V35-A62 HydrophobicContact CG1-CB 4.29Å; V35-A62 HydrophobicContact CG2-CB 4.32Å; V35-L221 HydrophobicContact CB-CD1 3.51Å; V35-L221 HydrophobicContact CG2-CD1 3.86Å
36Q94.8Very high92.6Very high7 Ų755.7 Ų55.73%0.03332%0.316CS..Hα-helixtrans-75.8-51.7-176.9-61.7163.40.600110.3L32 F33 P34 K38 T39 Y40 G58 L61 A62L32-Q36 HydrophobicContact CB-CB 3.92Å; L32-Q36 HydrophobicContact CD1-CB 4.48Å; L32-Q36 HydrophobicContact CD2-CB 4.27Å; L32-Q36 HydrophobicContact CG-CB 4.45Å; F33-Q36 HydrophobicContact CB-CG 4.38Å; F33-Q36 WeakPolarHBondContact O-CA 3.32Å; F33-Q36 WeakPolarHBondContact O-CB 3.49Å; F33-Q36 PolarHBondContact O-N 2.87Å; P34-Q36 VanDerWaalsContact C-N 3.3Å; P34-Q36 PolarHBondContact O-N 3.33Å; Q36-K38 PolarHBondContact O-N 3.42Å; Q36-T39 PolarHBondContact O-N 3.34Å; Q36-T39 PolarHBondContact O-OG1 2.7Å; Q36-Y40 WeakPolarHBondContact O-CB 3.33Å; Q36-Y40 PolarHBondContact O-N 3.26Å; Q36-G58 WeakPolarHBondContact CG-O 3.06Å; Q36-G58 PolarHBondContact NE2-O 3.11Å; Q36-L61 HydrophobicContact CG-CB 4.4Å; Q36-A62 HydrophobicContact CB-CB 4.43Å; Q36-A62 HydrophobicContact CG-CB 3.99Å
37F94Very high92.8Very high51 Ų5156.2 Ų56.222%0.22430%0.3CS..Hα-helixtrans-69.3-33.3-178.174.4-116.7000113.2P8 F14 L32 F33 P34 T39P8-F37 HydrophobicContact CB-CD2 4.43Å; P8-F37 HydrophobicContact CB-CE1 4.13Å; P8-F37 HydrophobicContact CB-CE2 4.09Å; P8-F37 HydrophobicContact CB-CZ 3.94Å; F14-F37 HydrophobicContact CE1-CB 4.18Å; F14-F37 HydrophobicContact CE2-CB 4.14Å; F14-F37 HydrophobicContact CZ-CB 3.49Å; F14-F37 VanDerWaalsContact CZ-CB 3.49Å; L32-F37 HydrophobicContact CB-CB 4.1Å; F33-F37 WeakPolarHBondContact O-CD1 3.45Å; F33-F37 PolarHBondContact O-N 3.14Å; P34-F37 HydrophobicContact CB-CE1 4.04Å; P34-F37 HydrophobicContact CB-CZ 4.26Å; P34-F37 HydrophobicContact CG-CE1 4.06Å; F37-T39 PolarHBondContact O-N 2.64Å
38K94.5Very high93.3Very high100 Ų10051.4 Ų51.444%0.43528%0.282SS..Hα-helixtrans-70.8-19.3177.5-72.6-179.4177.9-173.10113.4P34 Q36 L219 L221P34-K38 VanDerWaalsContact O-CB 3.25Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 WeakPolarHBondContact O-CG 3.41Å; P34-K38 PolarHBondContact O-N 3.36Å; Q36-K38 PolarHBondContact O-N 3.42Å; K38-L219 HydrophobicContact CB-CD2 3.83Å; K38-L219 HydrophobicContact CD-CD1 4.1Å; K38-L219 HydrophobicContact CD-CD2 4.38Å; K38-L221 HydrophobicContact CD-CD2 3.83Å
39T96.2Very high93.7Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-109.5-20.4-176.459.10000113.1V35 Q36 F37 D41 I42 I43 V51 L217 L219V35-T39 WeakPolarHBondContact O-CB 3.41Å; V35-T39 WeakPolarHBondContact O-CG2 3.47Å; V35-T39 PolarHBondContact O-N 2.75Å; V35-T39 PolarHBondContact O-OG1 2.87Å; Q36-T39 PolarHBondContact O-N 3.34Å; Q36-T39 PolarHBondContact O-OG1 2.7Å; F37-T39 PolarHBondContact O-N 2.64Å; T39-D41 PolarHBondContact O-N 3.41Å; T39-I42 PolarHBondContact O-N 3.43Å; T39-I42 VanDerWaalsContact O-N 3.17Å; T39-I43 WeakPolarHBondContact O-CG1 3.38Å; T39-I43 PolarHBondContact O-N 3.42Å; T39-V51 HydrophobicContact CG2-CG2 3.81Å; T39-L217 HydrophobicContact CG2-CD2 4.26Å; T39-L219 HydrophobicContact CG2-CD2 3.56Å
40Y96.5Very high94.1Very high4 Ų442.5 Ų42.52%0.01624%0.235CC..Hα-helixtrans-53.2-53.9-171.6-177.4-91.5000113.9F14 N15 I16 Q36 I42 I43 S44 L65 P66 N69F14-Y40 HydrophobicContact CB-CD1 3.82Å; F14-Y40 HydrophobicContact CB-CE1 3.7Å; F14-Y40 AromaticContact CD1-CD1 3.5Å; F14-Y40 HydrophobicContact CD1-CD1 3.5Å; F14-Y40 VanDerWaalsContact CD1-CD1 3.5Å; F14-Y40 HydrophobicContact CD1-CE1 4.25Å; F14-Y40 AromaticContact CD1-CG 3.97Å; F14-Y40 HydrophobicContact CD1-CG 3.97Å; F14-Y40 HydrophobicContact CE1-CD1 4.49Å; F14-Y40 AromaticContact CG-CD1 3.94Å; F14-Y40 HydrophobicContact CG-CD1 3.94Å; F14-Y40 HydrophobicContact CG-CE1 4.33Å; F14-Y40 HydrophobicContact CG-CG 4.35Å; N15-Y40 PolarHBondContact O-OH 3.39Å; I16-Y40 HydrophobicContact CD1-CE2 4.29Å; I16-Y40 HydrophobicContact CG1-CE1 4.15Å; I16-Y40 HydrophobicContact CG1-CE2 3.73Å; I16-Y40 VanDerWaalsContact CG1-CZ 3.42Å; I16-Y40 WeakPolarHBondContact CG1-OH 3.31Å; Q36-Y40 WeakPolarHBondContact O-CB 3.33Å; Q36-Y40 PolarHBondContact O-N 3.26Å; Y40-I42 VanDerWaalsContact C-N 3.31Å; Y40-I42 PolarHBondContact O-N 3.06Å; Y40-I43 PolarHBondContact O-N 2.99Å; Y40-S44 WeakPolarHBondContact CE1-OG 3.44Å; Y40-S44 WeakPolarHBondContact O-CB 3.46Å; Y40-S44 PolarHBondContact O-N 3.48Å; Y40-S44 PolarHBondContact O-OG 2.86Å; Y40-L65 HydrophobicContact CD2-CD2 4Å; Y40-L65 HydrophobicContact CD2-CG 4.22Å; Y40-L65 HydrophobicContact CE2-CD2 4Å; Y40-L65 HydrophobicContact CE2-CG 3.88Å; Y40-P66 HydrophobicContact CD2-CB 4.1Å; Y40-P66 HydrophobicContact CD2-CG 4.49Å; Y40-P66 HydrophobicContact CE2-CB 4.07Å; Y40-N69 PolarHBondContact OH-ND2 3.23Å
41D95.1Very high94.5Very high86 Ų8638.3 Ų38.346%0.4621%0.206SC..Hα-helixtrans-69.3-32.3-177.1-66.8-35.8000112.2T39 S45T39-D41 PolarHBondContact O-N 3.41Å; D41-S45 WeakPolarHBondContact O-CB 3.49Å; D41-S45 PolarHBondContact O-N 2.98Å; D41-S45 PolarHBondContact O-OG 3.35Å
42I95.1Very high94.4Very high33 Ų3335.3 Ų35.317%0.16919%0.193CC..Hα-helixtrans-68.6-47.2178-58.7-32.4000110.1T39 Y40 S45 R47 L217T39-I42 PolarHBondContact O-N 3.43Å; T39-I42 VanDerWaalsContact O-N 3.17Å; Y40-I42 VanDerWaalsContact C-N 3.31Å; Y40-I42 PolarHBondContact O-N 3.06Å; I42-S45 PolarHBondContact O-N 3.4Å; I42-S45 PolarHBondContact O-OG 2.94Å; I42-R47 HydrophobicContact CG2-CB 3.87Å; I42-R47 PolarHBondContact O-N 3.07Å; I42-L217 HydrophobicContact CB-CD2 4.12Å; I42-L217 HydrophobicContact CG1-CD2 3.93Å; I42-L217 HydrophobicContact CG2-CB 3.74Å; I42-L217 HydrophobicContact CG2-CD2 3.99Å; I42-L217 HydrophobicContact CG2-CG 4.43Å
43I96.7Very high94.1Very high4 Ų435.1 Ų35.12%0.02119%0.192CC..Hα-helixtrans-70-39.6179.6-62.3169.7000110T39 Y40 S45 G46 A62 P66 L67 Q192 L194 F196T39-I43 WeakPolarHBondContact O-CG1 3.38Å; T39-I43 PolarHBondContact O-N 3.42Å; Y40-I43 PolarHBondContact O-N 2.99Å; I43-S45 PolarHBondContact O-N 3.32Å; I43-G46 PolarHBondContact O-N 3.24Å; I43-G46 VanDerWaalsContact O-N 3.07Å; I43-A62 WeakPolarHBondContact CD1-O 3.44Å; I43-P66 HydrophobicContact CB-CB 3.99Å; I43-P66 HydrophobicContact CB-CG 3.67Å; I43-P66 HydrophobicContact CD1-CG 4.25Å; I43-P66 HydrophobicContact CG2-CB 3.75Å; I43-P66 HydrophobicContact CG2-CG 3.37Å; I43-L67 HydrophobicContact CG2-CD2 4.44Å; I43-Q192 PolarHBondContact O-NE2 3.36Å; I43-L194 HydrophobicContact CD1-CD1 4.15Å; I43-L194 HydrophobicContact CD1-CD2 4.49Å; I43-L194 HydrophobicContact CG1-CD1 4.2Å; I43-L194 HydrophobicContact CG1-CD2 3.96Å; I43-L194 HydrophobicContact CG2-CD1 3.61Å; I43-L194 HydrophobicContact CG2-CD2 4.34Å; I43-F196 HydrophobicContact CD1-CZ 4.21Å
44S94.5Very high93.4Very high46 Ų4632.4 Ų32.432%0.32218%0.179SC..Hα-helixtrans-64.5-27.5177.9-63.40000113.4Y40 G46 P66Y40-S44 WeakPolarHBondContact CE1-OG 3.44Å; Y40-S44 WeakPolarHBondContact O-CB 3.46Å; Y40-S44 PolarHBondContact O-N 3.48Å; Y40-S44 PolarHBondContact O-OG 2.86Å; S44-G46 VanDerWaalsContact C-N 3.26Å; S44-P66 VanDerWaalsContact OG-CB 3.28Å; S44-P66 WeakPolarHBondContact OG-CB 3.29Å
45S93.9Very high92.5Very high81 Ų8130.1 Ų30.157%0.56616%0.164SC*.THydrogen-bonded Turntrans-81.9-1.5175.659.60000113.8D41 I42 I43D41-S45 WeakPolarHBondContact O-CB 3.49Å; D41-S45 PolarHBondContact O-N 2.98Å; D41-S45 PolarHBondContact O-OG 3.35Å; I42-S45 PolarHBondContact O-N 3.4Å; I42-S45 PolarHBondContact O-OG 2.94Å; I43-S45 PolarHBondContact O-N 3.32Å
46G93.9Very high91.3Very high39 Ų3932.1 Ų32.140%0.40218%0.184SC..THydrogen-bonded Turntrans85.17.9178.200000114.5I43 S44 Q192I43-G46 PolarHBondContact O-N 3.24Å; I43-G46 VanDerWaalsContact O-N 3.07Å; S44-G46 VanDerWaalsContact C-N 3.26Å; G46-Q192 WeakPolarHBondContact O-CG 3.17Å
47R96.5Very high90.3Very high93 Ų9334 Ų3435%0.35120%0.196SC..  trans-77.1149.5176.7-65.5-158.2-58.2171.35.1112.2I42 Q192I42-R47 HydrophobicContact CG2-CB 3.87Å; I42-R47 PolarHBondContact O-N 3.07Å; R47-Q192 PolarHBondContact O-NE2 3.28Å
48D97.9Very high89.8Confident3 Ų332.5 Ų32.52%0.01620%0.196CC..  trans-69.9155173.9-67.9-13.2000111.3K190 Q192 T193 L212 S213 A216 L217D48-K190 IonicContact OD1-NZ 3.67Å; D48-K190 IonicContact OD2-NZ 2.64Å; D48-K190 PolarHBondContact OD2-NZ 3.34Å; D48-Q192 WeakPolarHBondContact OD1-CA 3.26Å; D48-T193 WeakPolarHBondContact CA-O 3.33Å; D48-T193 WeakPolarHBondContact CB-O 3.2Å; D48-T193 PolarHBondContact OD1-N 2.9Å; D48-L212 HydrophobicContact CB-CB 4.1Å; D48-L212 HydrophobicContact CB-CD2 4.32Å; D48-L212 HydrophobicContact CB-CG 3.97Å; D48-L212 VanDerWaalsContact OD2-CA 3.29Å; D48-L212 WeakPolarHBondContact OD2-CA 3.27Å; D48-S213 PolarHBondContact OD2-N 2.89Å; D48-S213 PolarHBondContact OD2-OG 3.25Å; D48-A216 HydrophobicContact CB-CB 3.73Å; D48-A216 WeakPolarHBondContact O-CA 3.35Å; D48-L217 PolarHBondContact O-N 2.87Å
49A97.3Very high89.5Confident0 Ų028.5 Ų28.50%018%0.178CC..EExtended strand (participates in β ladder)trans-147.8140.3178.100000112.7V51 T193 L194 L195 L217A49-V51 HydrophobicContact CB-CG2 4.2Å; A49-T193 PolarHBondContact N-O 2.95Å; A49-L194 HydrophobicContact CB-CD2 3.97Å; A49-L194 CarbonylContact O-C 3.58Å; A49-L194 WeakPolarHBondContact O-CA 3.41Å; A49-L195 PolarHBondContact O-N 3.31Å; A49-L217 CarbonylContact C-O 3.59Å; A49-L217 WeakPolarHBondContact CA-O 3.49Å; A49-L217 HydrophobicContact CB-CB 4.19Å; A49-L217 HydrophobicContact CB-CD2 4.48Å
50V96.7Very high89.3Confident2 Ų229.2 Ų29.21%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-110.5118.7163.1-179.80000108.4L195 M200 S208 L212 L217 L219V50-L195 WeakPolarHBondContact CA-O 3.18Å; V50-L195 HydrophobicContact CG1-CD2 4Å; V50-L195 HydrophobicContact CG2-CB 4.43Å; V50-M200 HydrophobicContact CG1-CE 3.3Å; V50-M200 HydrophobicContact CG1-SD 4.45Å; V50-S208 VanDerWaalsContact CG2-OG 3.28Å; V50-S208 WeakPolarHBondContact CG2-OG 3.4Å; V50-L212 HydrophobicContact CG2-CD2 3.25Å; V50-L217 PolarHBondContact N-O 3.33Å; V50-L219 PolarHBondContact O-N 3.23Å
51V95.2Very high89.1Confident0 Ų029.6 Ų29.60%019%0.185CC..EExtended strand (participates in β ladder)trans-121.5110-175.9-175.50000109.6V35 T39 A49 A53 L195 F196 S197 L219V35-V51 HydrophobicContact CG2-CG1 3.54Å; T39-V51 HydrophobicContact CG2-CG2 3.81Å; A49-V51 HydrophobicContact CB-CG2 4.2Å; V51-A53 HydrophobicContact CG1-CB 4.39Å; V51-L195 PolarHBondContact N-O 3.01Å; V51-F196 HydrophobicContact CB-CD1 3.64Å; V51-F196 HydrophobicContact CB-CE1 3.65Å; V51-F196 HydrophobicContact CB-CG 4.34Å; V51-F196 HydrophobicContact CB-CZ 4.35Å; V51-F196 HydrophobicContact CG1-CD1 3.91Å; V51-F196 HydrophobicContact CG1-CE1 3.84Å; V51-F196 HydrophobicContact CG2-CD1 4.22Å; V51-F196 HydrophobicContact CG2-CE1 3.75Å; V51-F196 HydrophobicContact CG2-CZ 4.01Å; V51-F196 WeakPolarHBondContact O-CA 3.37Å; V51-S197 PolarHBondContact O-N 3.44Å; V51-L219 WeakPolarHBondContact CA-O 3.47Å; V51-L219 HydrophobicContact CG1-CD2 4.38Å
52L91.1Very high89.1Confident28 Ų2825.6 Ų25.615%0.14716%0.164CC..EExtended strand (participates in β ladder)trans-94.5109.2171.3-59.6-176.3000109.3S197 M200 L219 L221 I222L52-S197 WeakPolarHBondContact CA-O 3.08Å; L52-M200 HydrophobicContact CD1-CB 4.24Å; L52-M200 HydrophobicContact CD1-CE 3.87Å; L52-M200 HydrophobicContact CD2-CB 4.46Å; L52-M200 HydrophobicContact CD2-CE 3.78Å; L52-M200 HydrophobicContact CG-CE 3.97Å; L52-L219 PolarHBondContact N-O 2.87Å; L52-L221 PolarHBondContact O-N 3.35Å; L52-I222 HydrophobicContact CB-CD1 4.32Å
53A84.4Confident89.2Confident0 Ų024 Ų240%016%0.156CC..  trans-148.6146.9178.800000112.4V35 V51 K59 S197 L221V35-A53 HydrophobicContact CG2-CB 4.12Å; V51-A53 HydrophobicContact CG1-CB 4.39Å; A53-K59 HydrophobicContact CB-CD 3.98Å; A53-K59 HydrophobicContact CB-CG 4.15Å; A53-K59 PolarHBondContact O-NZ 2.64Å; A53-S197 PolarHBondContact N-O 3.31Å; A53-S197 VanDerWaalsContact N-O 3.11Å; A53-L221 HydrophobicContact CB-CB 4.31Å; A53-L221 HydrophobicContact CB-CD1 4.3Å
54R75.1Confident89.2Confident34 Ų3423.8 Ų23.813%0.12816%0.155CC..  trans-62.7157-180-55.2-178.4-167.8157.315.5111.2T57 I222 E226 T227 K228 T229R54-T57 HydrophobicContact CB-CG2 4.13Å; R54-T57 VanDerWaalsContact O-CG2 3.29Å; R54-T57 WeakPolarHBondContact O-CG2 3.29Å; R54-T57 PolarHBondContact O-OG1 3.04Å; R54-I222 HydrophobicContact CG-CD1 4.41Å; R54-I222 HydrophobicContact CG-CG1 4.06Å; R54-E226 IonicContact NH2-OE2 3.94Å; R54-E226 PolarHBondContact NH2-OE2 2.85Å; R54-T227 PolarHBondContact NE-O 2.91Å; R54-T227 PolarHBondContact NH1-O 3.17Å; R54-T227 PolarHBondContact NH2-O 3.48Å; R54-K228 WeakPolarHBondContact CD-O 3.26Å; R54-T229 PolarHBondContact NH1-O 3.05Å
55T70.8Confident89.3Confident21 Ų2121.7 Ų21.713%0.12914%0.14CC..THydrogen-bonded Turntrans-61145.4172.653.40000111.2T57T55-T57 VanDerWaalsContact C-N 3.31Å; T55-T57 PolarHBondContact O-N 3.27Å
56G68.1Low89.4Confident43 Ų4318 Ų1844%0.44311%0.113SC..THydrogen-bonded Turntrans81.34178.200000115.2G58G56-G58 VanDerWaalsContact C-N 3.28Å; G56-G58 PolarHBondContact O-N 3.07Å
57T73.7Confident89.4Confident45 Ų4516.2 Ų16.228%0.27610%0.095SC..SBendtrans-82.5-2.2176.853.80000113.9F33 V35 R54 T55F33-T57 WeakPolarHBondContact CB-O 3.4Å; V35-T57 WeakPolarHBondContact CG1-O 3.47Å; R54-T57 HydrophobicContact CB-CG2 4.13Å; R54-T57 VanDerWaalsContact O-CG2 3.29Å; R54-T57 WeakPolarHBondContact O-CG2 3.29Å; R54-T57 PolarHBondContact O-OG1 3.04Å; T55-T57 VanDerWaalsContact C-N 3.31Å; T55-T57 PolarHBondContact O-N 3.27Å
58G81.6Confident89.3Confident21 Ų2111.8 Ų11.822%0.2168%0.078CC..  trans86.529-179.500000115.1Q36 G56 T60 L61 A62Q36-G58 WeakPolarHBondContact CG-O 3.06Å; Q36-G58 PolarHBondContact NE2-O 3.11Å; G56-G58 VanDerWaalsContact C-N 3.28Å; G56-G58 PolarHBondContact O-N 3.07Å; G58-T60 VanDerWaalsContact C-N 3.32Å; G58-T60 PolarHBondContact O-N 2.76Å; G58-L61 PolarHBondContact O-N 2.75Å; G58-A62 PolarHBondContact O-N 3.44Å
59K88.3Confident89.1Confident15 Ų1511.8 Ų11.87%0.0658%0.078CC..Hα-helixtrans-53.1-41.9178.9-65.4-169.8-71.4-167.80113.9A53 L61 A62 F63 F196A53-K59 HydrophobicContact CB-CD 3.98Å; A53-K59 HydrophobicContact CB-CG 4.15Å; A53-K59 PolarHBondContact O-NZ 2.64Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 3.2Å; K59-A62 WeakPolarHBondContact O-CA 3.5Å; K59-A62 WeakPolarHBondContact O-CB 3.33Å; K59-A62 PolarHBondContact O-N 3.4Å; K59-F63 VanDerWaalsContact O-CD1 3.29Å; K59-F63 WeakPolarHBondContact O-CD1 3.36Å; K59-F63 PolarHBondContact O-N 2.67Å; K59-F196 HydrophobicContact CB-CD1 4.04Å; K59-F196 HydrophobicContact CD-CD1 4.28Å; K59-F196 HydrophobicContact CG-CD1 4.29Å
60T92.1Very high88.7Confident16 Ų1614.1 Ų14.110%0.09810%0.095CC..Hα-helixtrans-56.4-47.9-178.5-46.80000112.1G58 A62 F63 S64 I97 D100G58-T60 VanDerWaalsContact C-N 3.32Å; G58-T60 PolarHBondContact O-N 2.76Å; T60-A62 PolarHBondContact O-N 3.16Å; T60-F63 HydrophobicContact CG2-CE2 4.4Å; T60-F63 HydrophobicContact CG2-CZ 3.92Å; T60-F63 PolarHBondContact O-N 2.65Å; T60-S64 VanDerWaalsContact O-CB 3.31Å; T60-S64 WeakPolarHBondContact O-CB 3.45Å; T60-S64 PolarHBondContact O-N 3.12Å; T60-S64 PolarHBondContact O-OG 3.06Å; T60-I97 HydrophobicContact CG2-CB 4.28Å; T60-I97 HydrophobicContact CG2-CG1 3.95Å; T60-I97 HydrophobicContact CG2-CG2 4.3Å; T60-D100 HydrophobicContact CG2-CB 3.72Å; T60-D100 VanDerWaalsContact CG2-OD2 3.26Å; T60-D100 WeakPolarHBondContact CG2-OD2 3.33Å
61L93.7Very high88.4Confident11 Ų1114.9 Ų14.96%0.05810%0.099CC..Hα-helixtrans-69.6-24.3178.6-167.265.2000112.3L24 I29 L32 Q36 G58 K59 F63 S64 L65 I104L24-L61 HydrophobicContact CD2-CD1 4.08Å; L24-L61 HydrophobicContact CD2-CD2 3.97Å; I29-L61 HydrophobicContact CD1-CD2 4.11Å; L32-L61 HydrophobicContact CD2-CD2 4.5Å; Q36-L61 HydrophobicContact CG-CB 4.4Å; G58-L61 PolarHBondContact O-N 2.75Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 3.2Å; L61-F63 VanDerWaalsContact C-N 3.3Å; L61-F63 PolarHBondContact O-N 3.43Å; L61-S64 WeakPolarHBondContact CA-OG 3.48Å; L61-L65 HydrophobicContact CD1-CB 3.95Å; L61-L65 HydrophobicContact CG-CB 4.14Å; L61-L65 WeakPolarHBondContact O-CB 3.18Å; L61-L65 PolarHBondContact O-N 3.2Å; L61-L65 VanDerWaalsContact O-N 3.11Å; L61-I104 HydrophobicContact CD1-CD1 4.1Å; L61-I104 HydrophobicContact CD1-CG2 4.27Å
62A95.4Very high87.9Confident2 Ų216.5 Ų16.52%0.01711%0.107CC..Hα-helixtrans-63.1-35.817900000112.2V35 Q36 I43 G58 K59 T60 P66 F196V35-A62 HydrophobicContact CG1-CB 4.29Å; V35-A62 HydrophobicContact CG2-CB 4.32Å; Q36-A62 HydrophobicContact CB-CB 4.43Å; Q36-A62 HydrophobicContact CG-CB 3.99Å; I43-A62 WeakPolarHBondContact CD1-O 3.44Å; G58-A62 PolarHBondContact O-N 3.44Å; K59-A62 WeakPolarHBondContact O-CA 3.5Å; K59-A62 WeakPolarHBondContact O-CB 3.33Å; K59-A62 PolarHBondContact O-N 3.4Å; T60-A62 PolarHBondContact O-N 3.16Å; A62-P66 VanDerWaalsContact O-CD 3.22Å; A62-P66 WeakPolarHBondContact O-CD 3.41Å; A62-P66 VanDerWaalsContact O-CG 3.23Å; A62-P66 WeakPolarHBondContact O-CG 3.41Å; A62-F196 HydrophobicContact CB-CE1 4.02Å; A62-F196 HydrophobicContact CB-CZ 4.32Å
63F97Very high87.2Confident0 Ų021 Ų210%013%0.125CC..Hα-helixtrans-96.9-36.5172.362.2-101.2000113.5K59 T60 L61 L65 P66 L67 V86 I97 F101 V159 D161 L194 F196K59-F63 VanDerWaalsContact O-CD1 3.29Å; K59-F63 WeakPolarHBondContact O-CD1 3.36Å; K59-F63 PolarHBondContact O-N 2.67Å; T60-F63 HydrophobicContact CG2-CE2 4.4Å; T60-F63 HydrophobicContact CG2-CZ 3.92Å; T60-F63 PolarHBondContact O-N 2.65Å; L61-F63 VanDerWaalsContact C-N 3.3Å; L61-F63 PolarHBondContact O-N 3.43Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.93Å; F63-P66 WeakPolarHBondContact O-CD 3.32Å; F63-P66 WeakPolarHBondContact O-CG 3.46Å; F63-L67 HydrophobicContact CB-CD1 4.48Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 WeakPolarHBondContact O-CD1 3.29Å; F63-L67 WeakPolarHBondContact O-CG 3.26Å; F63-L67 PolarHBondContact O-N 3.41Å; F63-V86 HydrophobicContact CE2-CG1 4.34Å; F63-V86 HydrophobicContact CE2-CG2 4.47Å; F63-V86 HydrophobicContact CZ-CG1 4.47Å; F63-I97 HydrophobicContact CE2-CG2 3.98Å; F63-I97 HydrophobicContact CZ-CD1 4.4Å; F63-I97 HydrophobicContact CZ-CG1 4.37Å; F63-I97 HydrophobicContact CZ-CG2 4.05Å; F63-F101 HydrophobicContact CD2-CE2 4.27Å; F63-F101 AromaticContact CD2-CZ 3.97Å; F63-F101 HydrophobicContact CD2-CZ 3.97Å; F63-F101 AromaticContact CE2-CE2 3.76Å; F63-F101 HydrophobicContact CE2-CE2 3.76Å; F63-F101 AromaticContact CE2-CZ 3.95Å; F63-F101 HydrophobicContact CE2-CZ 3.95Å; F63-V159 HydrophobicContact CB-CG1 4.43Å; F63-V159 HydrophobicContact CB-CG2 4.5Å; F63-V159 HydrophobicContact CD1-CG1 3.95Å; F63-V159 HydrophobicContact CD2-CG1 3.95Å; F63-V159 HydrophobicContact CD2-CG2 4.18Å; F63-V159 HydrophobicContact CE1-CG1 4.09Å; F63-V159 HydrophobicContact CE2-CG1 4.13Å; F63-V159 HydrophobicContact CG-CG1 3.86Å; F63-V159 HydrophobicContact CG-CG2 4.45Å; F63-V159 HydrophobicContact CZ-CG1 4.19Å; F63-D161 HydrophobicContact CE1-CB 4.32Å; F63-D161 HydrophobicContact CZ-CB 4.47Å; F63-L194 HydrophobicContact CB-CD1 3.93Å; F63-F196 HydrophobicContact CB-CE2 3.62Å; F63-F196 HydrophobicContact CB-CZ 3.81Å; F63-F196 HydrophobicContact CD1-CD1 4.47Å; F63-F196 AromaticContact CD1-CD2 3.73Å; F63-F196 HydrophobicContact CD1-CD2 3.73Å; F63-F196 HydrophobicContact CD1-CE1 4.28Å; F63-F196 AromaticContact CD1-CE2 3.52Å; F63-F196 HydrophobicContact CD1-CE2 3.52Å; F63-F196 HydrophobicContact CD1-CG 4.21Å; F63-F196 AromaticContact CD1-CZ 3.82Å; F63-F196 HydrophobicContact CD1-CZ 3.82Å; F63-F196 HydrophobicContact CE1-CD2 4.36Å; F63-F196 AromaticContact CG-CE2 3.97Å; F63-F196 HydrophobicContact CG-CE2 3.97Å; F63-F196 HydrophobicContact CG-CZ 4.32Å
64S96.4Very high86.6Confident0 Ų023.5 Ų23.50%015%0.151CC..Hα-helixtrans-67.9-36.6-173.775.10000111.7T60 L61 V68T60-S64 VanDerWaalsContact O-CB 3.31Å; T60-S64 WeakPolarHBondContact O-CB 3.45Å; T60-S64 PolarHBondContact O-N 3.12Å; T60-S64 PolarHBondContact O-OG 3.06Å; L61-S64 WeakPolarHBondContact CA-OG 3.48Å; S64-V68 WeakPolarHBondContact O-CB 3.31Å; S64-V68 VanDerWaalsContact O-CG2 3.25Å; S64-V68 WeakPolarHBondContact O-CG2 3.4Å; S64-V68 PolarHBondContact O-N 2.9Å
65L95.7Very high85.8Confident2 Ų228.6 Ų28.61%0.0118%0.176CC..Hα-helixtrans-62.6-58.1-179-177.863.9000113.4I16 I20 L24 L32 Y40 L61 F63 L67 V68 N69 I104I16-L65 HydrophobicContact CD1-CD2 4.09Å; I16-L65 HydrophobicContact CG2-CD1 4.35Å; I20-L65 HydrophobicContact CG2-CD1 3.4Å; L24-L65 HydrophobicContact CD1-CD1 3.98Å; L24-L65 HydrophobicContact CD1-CD2 4.39Å; L32-L65 HydrophobicContact CD1-CD2 4.19Å; L32-L65 HydrophobicContact CD2-CD2 3.67Å; Y40-L65 HydrophobicContact CD2-CD2 4Å; Y40-L65 HydrophobicContact CD2-CG 4.22Å; Y40-L65 HydrophobicContact CE2-CD2 4Å; Y40-L65 HydrophobicContact CE2-CG 3.88Å; L61-L65 HydrophobicContact CD1-CB 3.95Å; L61-L65 HydrophobicContact CG-CB 4.14Å; L61-L65 WeakPolarHBondContact O-CB 3.18Å; L61-L65 PolarHBondContact O-N 3.2Å; L61-L65 VanDerWaalsContact O-N 3.11Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.93Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.38Å; L65-V68 PolarHBondContact O-N 3.38Å; L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 2.9Å; L65-I104 HydrophobicContact CB-CD1 4.39Å; L65-I104 HydrophobicContact CD1-CD1 4.37Å
66P95.5Very high85.2Confident2 Ų230.3 Ų30.31%0.01320%0.198CC..Hα-helixtrans-64-35179.325.8-36.2000112.3Y40 I43 S44 A62 F63 N69 S70Y40-P66 HydrophobicContact CD2-CB 4.1Å; Y40-P66 HydrophobicContact CD2-CG 4.49Å; Y40-P66 HydrophobicContact CE2-CB 4.07Å; I43-P66 HydrophobicContact CB-CB 3.99Å; I43-P66 HydrophobicContact CB-CG 3.67Å; I43-P66 HydrophobicContact CD1-CG 4.25Å; I43-P66 HydrophobicContact CG2-CB 3.75Å; I43-P66 HydrophobicContact CG2-CG 3.37Å; S44-P66 VanDerWaalsContact OG-CB 3.28Å; S44-P66 WeakPolarHBondContact OG-CB 3.29Å; A62-P66 VanDerWaalsContact O-CD 3.22Å; A62-P66 WeakPolarHBondContact O-CD 3.41Å; A62-P66 VanDerWaalsContact O-CG 3.23Å; A62-P66 WeakPolarHBondContact O-CG 3.41Å; F63-P66 WeakPolarHBondContact O-CD 3.32Å; F63-P66 WeakPolarHBondContact O-CG 3.46Å; P66-N69 PolarHBondContact O-N 3.12Å; P66-S70 WeakPolarHBondContact O-CB 3.41Å; P66-S70 PolarHBondContact O-N 2.9Å
67L95.4Very high84.9Confident2 Ų233.9 Ų33.91%0.0122%0.216CC..Hα-helixtrans-66.6-46.3177.9-68.1178.3000112.2I43 F63 L65 N69 S70 L71 V84 F101 H157 V159 L194I43-L67 HydrophobicContact CG2-CD2 4.44Å; F63-L67 HydrophobicContact CB-CD1 4.48Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 WeakPolarHBondContact O-CD1 3.29Å; F63-L67 WeakPolarHBondContact O-CG 3.26Å; F63-L67 PolarHBondContact O-N 3.41Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.38Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.41Å; L67-S70 WeakPolarHBondContact O-CB 3.24Å; L67-S70 PolarHBondContact O-N 3.37Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.09Å; L67-V84 HydrophobicContact CD1-CG1 4.04Å; L67-F101 HydrophobicContact CB-CE1 4.39Å; L67-F101 HydrophobicContact CD1-CZ 4.35Å; L67-H157 HydrophobicContact CD2-CB 3.77Å; L67-H157 WeakPolarHBondContact CD2-ND1 3.49Å; L67-V159 HydrophobicContact CD1-CG2 3.74Å; L67-L194 HydrophobicContact CD1-CD1 4.32Å
68V94.4Very high84.8Confident0 Ų036.9 Ų36.90%022%0.223CC..Hα-helixtrans-63.1-41.4175.6170.30000110.8I20 S64 L65 S70 L71 I72 F101 I104 I109 I133I20-V68 HydrophobicContact CD1-CG1 4.05Å; S64-V68 WeakPolarHBondContact O-CB 3.31Å; S64-V68 VanDerWaalsContact O-CG2 3.25Å; S64-V68 WeakPolarHBondContact O-CG2 3.4Å; S64-V68 PolarHBondContact O-N 2.9Å; L65-V68 PolarHBondContact O-N 3.38Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.4Å; V68-L71 PolarHBondContact O-N 2.91Å; V68-I72 HydrophobicContact CG1-CD1 4.34Å; V68-I72 WeakPolarHBondContact O-CG1 3.46Å; V68-I72 PolarHBondContact O-N 3.13Å; V68-I72 VanDerWaalsContact O-N 3.08Å; V68-F101 HydrophobicContact CG2-CD1 3.57Å; V68-F101 HydrophobicContact CG2-CE1 4.04Å; V68-I104 HydrophobicContact CB-CD1 4.06Å; V68-I104 HydrophobicContact CB-CG1 4.32Å; V68-I104 HydrophobicContact CG1-CG1 4.34Å; V68-I104 HydrophobicContact CG2-CD1 3.94Å; V68-I104 HydrophobicContact CG2-CG1 4.03Å; V68-I109 HydrophobicContact CG1-CD1 4.22Å; V68-I133 HydrophobicContact CG2-CD1 4.38Å
69N92.3Very high84.6Confident3 Ų337 Ų372%0.01622%0.22CC..Hα-helixtrans-60.5-39.7176.7-168.556.1000112.3N15 A17 I20 Y40 L65 P66 L67 K73N15-N69 PolarHBondContact O-ND2 3.46Å; A17-N69 PolarHBondContact N-OD1 2.94Å; I20-N69 HydrophobicContact CD1-CB 3.87Å; Y40-N69 PolarHBondContact OH-ND2 3.23Å; L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 2.9Å; P66-N69 PolarHBondContact O-N 3.12Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.41Å; N69-K73 PolarHBondContact O-N 3.33Å
70S90.4Very high84.2Confident50 Ų5041.5 Ų41.535%0.3525%0.253SS..Hα-helixtrans-64-43.1174.2-175.80000112.3P66 L67 V68 I72 K73 G74P66-S70 WeakPolarHBondContact O-CB 3.41Å; P66-S70 PolarHBondContact O-N 2.9Å; L67-S70 WeakPolarHBondContact O-CB 3.24Å; L67-S70 PolarHBondContact O-N 3.37Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.4Å; S70-I72 VanDerWaalsContact C-N 3.34Å; S70-I72 PolarHBondContact O-N 2.9Å; S70-K73 PolarHBondContact O-N 3.05Å; S70-G74 PolarHBondContact O-N 2.79Å
71L89.6Confident83.9Confident18 Ų1840.9 Ų40.99%0.09425%0.249CC..Hα-helixtrans-63.8-35.7178.6-67.9179.9000113.4L67 V68 K73 G74 V83 V84 I109 H132 I133L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.09Å; V68-L71 PolarHBondContact O-N 2.91Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3.29Å; L71-G74 PolarHBondContact O-N 2.79Å; L71-V83 HydrophobicContact CD1-CG2 4.5Å; L71-V83 HydrophobicContact CD2-CB 4.44Å; L71-V83 HydrophobicContact CD2-CG2 3.46Å; L71-V83 VanDerWaalsContact CD2-CG2 3.46Å; L71-V84 HydrophobicContact CD1-CG2 4.06Å; L71-V84 HydrophobicContact CD2-CG2 4.46Å; L71-I109 HydrophobicContact CB-CD1 3.83Å; L71-I109 HydrophobicContact CD1-CG2 4.34Å; L71-H132 HydrophobicContact CD1-CB 4.41Å; L71-I133 HydrophobicContact CD1-CD1 3.83Å; L71-I133 HydrophobicContact CD1-CG1 3.81Å
72I84.4Confident83.9Confident33 Ų3340.6 Ų40.617%0.16925%0.248CC..Hα-helixtrans-63.3-39.6176.3-66.7178.7000111.1I20 V68 S70 G74 Q75 V106 I109I20-I72 HydrophobicContact CD1-CD1 3.68Å; I20-I72 HydrophobicContact CG1-CD1 3.77Å; V68-I72 HydrophobicContact CG1-CD1 4.34Å; V68-I72 WeakPolarHBondContact O-CG1 3.46Å; V68-I72 PolarHBondContact O-N 3.13Å; V68-I72 VanDerWaalsContact O-N 3.08Å; S70-I72 VanDerWaalsContact C-N 3.34Å; S70-I72 PolarHBondContact O-N 2.9Å; I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.03Å; I72-Q75 WeakPolarHBondContact O-CG 3.42Å; I72-V106 HydrophobicContact CD1-CB 4.25Å; I72-V106 HydrophobicContact CD1-CG1 3.7Å; I72-V106 HydrophobicContact CD1-CG2 3.5Å; I72-V106 VanDerWaalsContact CD1-CG2 3.5Å; I72-V106 HydrophobicContact CG1-CG2 3.54Å; I72-I109 HydrophobicContact CG1-CD1 3.84Å
73K76.2Confident83.8Confident123 Ų12341.1 Ų41.154%0.53525%0.251SS..Hα-helixtrans-70.5-24.3-179-67.5176-178.4178.40112.6N15 N69 S70 L71N15-K73 PolarHBondContact ND2-NZ 2.89Å; N69-K73 PolarHBondContact O-N 3.33Å; S70-K73 PolarHBondContact O-N 3.05Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3.29Å
74G72.6Confident83.8Confident53 Ų5341.1 Ų41.155%0.54625%0.251SS..THydrogen-bonded Turntrans-9821.1-17600000116.2S70 L71 I72 G76S70-G74 PolarHBondContact O-N 2.79Å; L71-G74 PolarHBondContact O-N 2.79Å; I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.03Å; G74-G76 PolarHBondContact O-N 2.92Å
75Q57.3Low83.9Confident140 Ų14041.1 Ų41.165%0.65425%0.251SS*.  trans-44.4104-173.8-72.7-114.45.400113.3I72I72-Q75 WeakPolarHBondContact O-CG 3.42Å
76G58.9Low84Confident57 Ų5741 Ų4159%0.58825%0.251SS*.  trans-125.4177.9166.800000110.1G74G74-G76 PolarHBondContact O-N 2.92Å
77S63Low84.2Confident118 Ų11841 Ų4183%0.82525%0.25SS*.SBendtrans-51.8150.5175.8-179.70000112.1P79S77-P79 VanDerWaalsContact O-N 3.16Å
78R71.6Confident84.2Confident108 Ų10840.9 Ų40.941%0.40825%0.25SC..PPolyproline II helixtrans-49.2121175.3-169.4171.7-168.5176.2-11109.6Q129 G130R78-Q129 VanDerWaalsContact CD-O 3.29Å; R78-Q129 WeakPolarHBondContact CD-O 3.12Å; R78-Q129 PolarHBondContact NE-O 2.8Å; R78-Q129 PolarHBondContact NH2-O 2.94Å; R78-G130 PolarHBondContact NE-O 3.4Å; R78-G130 PolarHBondContact NH2-O 3.02Å
79P75.7Confident84Confident25 Ų2541 Ų4116%0.16225%0.251CS..PPolyproline II helixtrans-77147.3-169.732.5-37.2000110.8S77 S81 H132S77-P79 VanDerWaalsContact O-N 3.16Å; P79-S81 WeakPolarHBondContact CB-O 3.29Å; P79-S81 PolarHBondContact O-N 3.12Å; P79-H132 VanDerWaalsContact CD-NE2 3.31Å; P79-H132 WeakPolarHBondContact CD-NE2 3.4Å
80S79.9Confident83.7Confident108 Ų10841.2 Ų41.276%0.75525%0.252SS*.SBendtrans-73.3-13.3174.6-177.50000112.7
81S86.7Confident83.6Confident4 Ų442.7 Ų42.73%0.02825%0.25CC..SBendtrans-144.5147.1176.8102.20000109.8P79 K151 S154P79-S81 WeakPolarHBondContact CB-O 3.29Å; P79-S81 PolarHBondContact O-N 3.12Å; S81-K151 WeakPolarHBondContact CB-O 3.25Å; S81-S154 WeakPolarHBondContact OG-CB 3.37Å; S81-S154 PolarHBondContact OG-N 2.98Å; S81-S154 PolarHBondContact OG-OG 3.19Å
82P93.8Very high83.3Confident4 Ų443 Ų433%0.02625%0.251CS..  trans-58.9146.9-178.825-36.3000112.7T131 V134 L150 K151 L152 S154 V155P82-T131 WeakPolarHBondContact CA-O 3.48Å; P82-T131 HydrophobicContact CB-CG2 4.39Å; P82-V134 HydrophobicContact CB-CB 4.33Å; P82-V134 HydrophobicContact CB-CG2 3.82Å; P82-V134 HydrophobicContact CG-CB 4.46Å; P82-V134 HydrophobicContact CG-CG2 3.86Å; P82-L150 HydrophobicContact CG-CD1 3.87Å; P82-K151 VanDerWaalsContact CD-O 3.31Å; P82-K151 WeakPolarHBondContact CD-O 3.36Å; P82-L152 HydrophobicContact CG-CD2 4.29Å; P82-S154 CarbonylContact O-C 3.55Å; P82-S154 VanDerWaalsContact O-C 3.29Å; P82-V155 HydrophobicContact CG-CG2 4.37Å; P82-V155 WeakPolarHBondContact O-CA 3.2Å; P82-V155 WeakPolarHBondContact O-CG2 3.22Å; P82-V155 PolarHBondContact O-N 2.88Å
83V93.7Very high83.5Confident14 Ų1441.5 Ų41.59%0.08524%0.243CC..SBendtrans-98.9-21.6174.2-70.40000112.3L71 H132 S154 R156 H157L71-V83 HydrophobicContact CD1-CG2 4.5Å; L71-V83 HydrophobicContact CD2-CB 4.44Å; L71-V83 HydrophobicContact CD2-CG2 3.46Å; L71-V83 VanDerWaalsContact CD2-CG2 3.46Å; V83-H132 HydrophobicContact CG2-CB 4.2Å; V83-H132 VanDerWaalsContact CG2-O 3.24Å; V83-H132 WeakPolarHBondContact CG2-O 3.39Å; V83-H132 PolarHBondContact N-O 2.86Å; V83-S154 WeakPolarHBondContact CA-O 3.25Å; V83-R156 PolarHBondContact O-N 3.4Å; V83-H157 PolarHBondContact O-N 3.02Å; V83-H157 VanDerWaalsContact O-N 3.1Å
84V96.5Very high84.4Confident0 Ų035.7 Ų35.70%022%0.218CC..EExtended strand (participates in β ladder)trans-122.5128173.8-178.10000109.1L67 L71 V86 F101 H132 I133 V134 H157L67-V84 HydrophobicContact CD1-CG1 4.04Å; L71-V84 HydrophobicContact CD1-CG2 4.06Å; L71-V84 HydrophobicContact CD2-CG2 4.46Å; V84-V86 HydrophobicContact CG1-CG2 4Å; V84-F101 HydrophobicContact CG1-CZ 4.46Å; V84-H132 PolarHBondContact N-O 3.21Å; V84-H132 VanDerWaalsContact N-O 3.07Å; V84-I133 HydrophobicContact CB-CB 4.34Å; V84-I133 HydrophobicContact CB-CG1 3.94Å; V84-I133 HydrophobicContact CB-CG2 4.21Å; V84-I133 HydrophobicContact CG1-CG2 4.17Å; V84-I133 HydrophobicContact CG2-CG1 4.14Å; V84-I133 WeakPolarHBondContact O-CA 3.47Å; V84-V134 PolarHBondContact O-N 2.75Å; V84-H157 WeakPolarHBondContact CA-O 3.46Å; V84-H157 HydrophobicContact CG1-CB 4.36Å; V84-H157 HydrophobicContact CG2-CB 4.15Å
85L98.1Very high85.3Confident0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-116124.1169.1177.364.8000109.4L87 V134 L152 V155 H157 V158 V159 I178 I182L85-L87 HydrophobicContact CD1-CD2 4.02Å; L85-L87 HydrophobicContact CD2-CD2 4.17Å; L85-L87 HydrophobicContact CD2-CG 4.45Å; L85-L87 HydrophobicContact CG-CD2 4.08Å; L85-L87 HydrophobicContact CG-CG 4.39Å; L85-V134 CarbonylContact C-O 3.53Å; L85-V134 WeakPolarHBondContact CA-O 3.49Å; L85-V134 HydrophobicContact CD1-CB 4.15Å; L85-V134 HydrophobicContact CD1-CG1 3.91Å; L85-L152 HydrophobicContact CD2-CD1 4.1Å; L85-L152 HydrophobicContact CD2-CD2 4.25Å; L85-V155 HydrophobicContact CB-CG1 4.1Å; L85-V155 HydrophobicContact CB-CG2 4.3Å; L85-H157 PolarHBondContact N-O 2.8Å; L85-V158 CarbonylContact O-C 3.54Å; L85-V158 WeakPolarHBondContact O-CA 3.38Å; L85-V159 PolarHBondContact O-N 2.91Å; L85-I178 HydrophobicContact CD2-CG2 3.71Å; L85-I182 HydrophobicContact CD2-CD1 3.81Å
86V98.6Very high86.8Confident0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-114.6122.3171.5-176.10000109.2F63 V84 I97 F101 V134 V135 G136 V159F63-V86 HydrophobicContact CE2-CG1 4.34Å; F63-V86 HydrophobicContact CE2-CG2 4.47Å; F63-V86 HydrophobicContact CZ-CG1 4.47Å; V84-V86 HydrophobicContact CG1-CG2 4Å; V86-I97 HydrophobicContact CG1-CD1 4.2Å; V86-I97 HydrophobicContact CG1-CG2 4.05Å; V86-F101 HydrophobicContact CG2-CE2 3.69Å; V86-F101 HydrophobicContact CG2-CZ 3.92Å; V86-V134 PolarHBondContact N-O 3.39Å; V86-V135 HydrophobicContact CB-CB 4.48Å; V86-V135 HydrophobicContact CB-CG1 4.16Å; V86-V135 HydrophobicContact CB-CG2 4.29Å; V86-V135 HydrophobicContact CG1-CG1 4.29Å; V86-V135 CarbonylContact O-C 3.6Å; V86-V135 WeakPolarHBondContact O-CA 3.28Å; V86-G136 PolarHBondContact O-N 3.12Å; V86-V159 CarbonylContact C-O 3.54Å; V86-V159 WeakPolarHBondContact CA-O 3.34Å; V86-V159 HydrophobicContact CB-CB 4.19Å; V86-V159 HydrophobicContact CG1-CB 3.92Å; V86-V159 HydrophobicContact CG1-CG1 4.11Å; V86-V159 HydrophobicContact CG2-CB 3.83Å; V86-V159 HydrophobicContact CG2-CG2 3.97Å
87L98.5Very high88.5Confident0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-99.7132173.1-58.1-176.6000109.7L85 G136 V141 V159 L160 D161 M166 V175 I178L85-L87 HydrophobicContact CD1-CD2 4.02Å; L85-L87 HydrophobicContact CD2-CD2 4.17Å; L85-L87 HydrophobicContact CD2-CG 4.45Å; L85-L87 HydrophobicContact CG-CD2 4.08Å; L85-L87 HydrophobicContact CG-CG 4.39Å; L87-G136 WeakPolarHBondContact CA-O 3.38Å; L87-V141 HydrophobicContact CD2-CB 4.47Å; L87-V141 HydrophobicContact CD2-CG1 4.41Å; L87-V141 HydrophobicContact CD2-CG2 3.94Å; L87-V159 PolarHBondContact N-O 2.89Å; L87-L160 HydrophobicContact CB-CD2 3.92Å; L87-L160 HydrophobicContact CD1-CD2 3.72Å; L87-L160 HydrophobicContact CG-CD2 4.1Å; L87-D161 PolarHBondContact O-N 3.07Å; L87-M166 HydrophobicContact CB-CE 4.29Å; L87-M166 HydrophobicContact CB-SD 4.08Å; L87-V175 HydrophobicContact CD1-CG2 4.4Å; L87-I178 HydrophobicContact CD1-CB 4.33Å; L87-I178 HydrophobicContact CD1-CD1 3.89Å; L87-I178 HydrophobicContact CD1-CG2 4.05Å; L87-I178 HydrophobicContact CD2-CD1 4.05Å
88A95.7Very high90Very high0 Ų022.3 Ų22.30%012%0.117CC..  trans-139.1145.317600000110.9T90 L93 V94 I97 G136 A137 P138A88-T90 PolarHBondContact O-N 2.88Å; A88-L93 HydrophobicContact CB-CB 4.27Å; A88-L93 HydrophobicContact CB-CD2 3.9Å; A88-L93 HydrophobicContact CB-CG 3.84Å; A88-V94 HydrophobicContact CB-CG2 3.9Å; A88-I97 HydrophobicContact CB-CD1 3.77Å; A88-G136 PolarHBondContact N-O 3.03Å; A88-A137 WeakPolarHBondContact O-CA 3.46Å; A88-P138 WeakPolarHBondContact O-CD 3.37Å
89P90.3Very high91.1Very high4 Ų420.8 Ų20.83%0.02612%0.12CC..SBendtrans-65.6-31.2-172.123.9-38.1000115L93 D161 E162 R165 M166 M169 F171P89-L93 HydrophobicContact CG-CD2 4.02Å; P89-D161 WeakPolarHBondContact CD-O 3.37Å; P89-E162 HydrophobicContact CG-CB 3.83Å; P89-R165 HydrophobicContact CB-CB 4.27Å; P89-R165 HydrophobicContact CB-CG 3.85Å; P89-R165 HydrophobicContact CG-CB 3.96Å; P89-R165 HydrophobicContact CG-CG 3.69Å; P89-M166 HydrophobicContact CB-CG 3.84Å; P89-M166 HydrophobicContact CG-CG 4.37Å; P89-M169 HydrophobicContact CB-SD 3.75Å; P89-F171 WeakPolarHBondContact O-CE2 3.35Å
90T86.9Confident91.9Very high7 Ų720.5 Ų20.54%0.04312%0.117CC..SBendtrans-124.3154.5-173.476.20000112.8A88 E92 L93 V94 M169 R322A88-T90 PolarHBondContact O-N 2.88Å; T90-E92 PolarHBondContact O-N 2.83Å; T90-L93 PolarHBondContact O-N 2.82Å; T90-L93 WeakPolarHBondContact OG1-CB 3.33Å; T90-L93 PolarHBondContact OG1-N 2.9Å; T90-V94 VanDerWaalsContact O-CG2 3.3Å; T90-V94 WeakPolarHBondContact O-CG2 3.36Å; T90-V94 PolarHBondContact O-N 2.82Å; T90-M169 HydrophobicContact CG2-CE 4.28Å; T90-M169 HydrophobicContact CG2-SD 4.06Å; T90-R322 HydrophobicContact CG2-CB 3.84Å; T90-R322 PolarHBondContact OG1-O 3.1Å; T90-R322 VanDerWaalsContact OG1-O 3.12Å
91R87.3Confident92.6Very high80 Ų8015.4 Ų15.430%0.3028%0.081SC..Hα-helixtrans-63.1-37.6179.7-47.9-178.4175.2163.7-2.6111V94 T95 Y115 G116R91-V94 PolarHBondContact O-N 3.43Å; R91-T95 WeakPolarHBondContact O-CB 3.47Å; R91-T95 PolarHBondContact O-N 2.91Å; R91-T95 PolarHBondContact O-OG1 2.97Å; R91-Y115 HydrophobicContact CB-CD2 3.78Å; R91-Y115 HydrophobicContact CB-CE2 4.34Å; R91-Y115 HydrophobicContact CB-CG 3.96Å; R91-Y115 HydrophobicContact CG-CD2 3.95Å; R91-Y115 HydrophobicContact CG-CG 4.2Å; R91-G116 WeakPolarHBondContact CD-O 3.37Å; R91-G116 PolarHBondContact NE-O 3.08Å
92E84.1Confident93Very high24 Ų2420.1 Ų20.111%0.11210%0.103CC..Hα-helixtrans-65.6-44.5178.5-63.380.6179.800110.6T90 T95 Q96 R299 L303 G323 L324T90-E92 PolarHBondContact O-N 2.83Å; E92-T95 PolarHBondContact O-N 3.28Å; E92-Q96 WeakPolarHBondContact O-CB 3.41Å; E92-Q96 PolarHBondContact O-N 2.95Å; E92-R299 IonicContact OE1-CZ 3.85Å; E92-R299 VanDerWaalsContact OE1-CZ 3.29Å; E92-R299 IonicContact OE1-NE 3.39Å; E92-R299 PolarHBondContact OE1-NE 3.11Å; E92-R299 IonicContact OE1-NH2 3.94Å; E92-R299 PolarHBondContact OE1-NH2 2.96Å; E92-L303 HydrophobicContact CG-CD1 4Å; E92-G323 CarbonylContact C-O 3.48Å; E92-G323 WeakPolarHBondContact CB-O 3.49Å; E92-L324 HydrophobicContact CB-CD2 4.38Å; E92-L324 HydrophobicContact CG-CD2 4.01Å
93L88.6Confident92.9Very high3 Ų321.5 Ų21.52%0.01611%0.112CC..Hα-helixtrans-67.1-41.6175.1-175.455.2000111.7A88 P89 T90 T95 Q96 I97 E162A88-L93 HydrophobicContact CB-CB 4.27Å; A88-L93 HydrophobicContact CB-CD2 3.9Å; A88-L93 HydrophobicContact CB-CG 3.84Å; P89-L93 HydrophobicContact CG-CD2 4.02Å; T90-L93 PolarHBondContact O-N 2.82Å; T90-L93 WeakPolarHBondContact OG1-CB 3.33Å; T90-L93 PolarHBondContact OG1-N 2.9Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.23Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 2.85Å; L93-I97 HydrophobicContact CD1-CD1 3.9Å; L93-I97 HydrophobicContact CD1-CG1 3.98Å; L93-I97 HydrophobicContact CD2-CD1 4.48Å; L93-I97 HydrophobicContact CG-CD1 3.73Å; L93-I97 HydrophobicContact CG-CG1 4.28Å; L93-I97 WeakPolarHBondContact O-CB 3.21Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 2.8Å; L93-E162 HydrophobicContact CD2-CB 4.1Å; L93-E162 HydrophobicContact CD2-CG 3.76Å
94V94.1Very high92.8Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-55.1-45.9173164.40000111.2A88 T90 R91 A98 Y115 V135 G136 A137A88-V94 HydrophobicContact CB-CG2 3.9Å; T90-V94 VanDerWaalsContact O-CG2 3.3Å; T90-V94 WeakPolarHBondContact O-CG2 3.36Å; T90-V94 PolarHBondContact O-N 2.82Å; R91-V94 PolarHBondContact O-N 3.43Å; V94-A98 VanDerWaalsContact O-CB 3.27Å; V94-A98 WeakPolarHBondContact O-CB 3.45Å; V94-A98 PolarHBondContact O-N 2.8Å; V94-Y115 HydrophobicContact CG1-CD1 3.84Å; V94-V135 HydrophobicContact CB-CG1 4.25Å; V94-V135 HydrophobicContact CG1-CB 4.28Å; V94-V135 HydrophobicContact CG1-CG1 3.96Å; V94-V135 VanDerWaalsContact CG1-O 3.29Å; V94-V135 WeakPolarHBondContact CG1-O 3.48Å; V94-V135 HydrophobicContact CG2-CG1 4.39Å; V94-V135 WeakPolarHBondContact O-CG1 3.45Å; V94-G136 VanDerWaalsContact CG2-C 3.45Å; V94-A137 HydrophobicContact CG2-CB 4.33Å
95T91.5Very high92.5Very high49 Ų4921.3 Ų21.330%0.30111%0.111SC..Hα-helixtrans-67.8-40.3179.8-54.50000111.5R91 E92 L93 A98 T99R91-T95 WeakPolarHBondContact O-CB 3.47Å; R91-T95 PolarHBondContact O-N 2.91Å; R91-T95 PolarHBondContact O-OG1 2.97Å; E92-T95 PolarHBondContact O-N 3.28Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.23Å; T95-A98 PolarHBondContact O-N 3.01Å; T95-T99 WeakPolarHBondContact O-CB 3.42Å; T95-T99 PolarHBondContact O-N 3.26Å; T95-T99 PolarHBondContact O-OG1 2.81Å
96Q88.6Confident91.8Very high36 Ų3622.3 Ų22.317%0.16812%0.118CC..Hα-helixtrans-60.3-52.5175.5-177.8-172.6-2.500111.1E92 L93 A98 T99 D100 D325E92-Q96 WeakPolarHBondContact O-CB 3.41Å; E92-Q96 PolarHBondContact O-N 2.95Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 2.85Å; Q96-A98 VanDerWaalsContact C-N 3.33Å; Q96-A98 PolarHBondContact O-N 2.8Å; Q96-T99 WeakPolarHBondContact O-CB 3.4Å; Q96-T99 PolarHBondContact O-N 2.77Å; Q96-D100 PolarHBondContact O-N 3.05Å; Q96-D325 HydrophobicContact CB-CB 4.43Å; Q96-D325 HydrophobicContact CG-CB 3.84Å; Q96-D325 PolarHBondContact NE2-OD2 3.23Å
97I94.7Very high90.5Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-61.4-43.7179.9-65.7166.4000110.4T60 F63 V86 A88 L93 T99 D100 F101 V135 D161T60-I97 HydrophobicContact CG2-CB 4.28Å; T60-I97 HydrophobicContact CG2-CG1 3.95Å; T60-I97 HydrophobicContact CG2-CG2 4.3Å; F63-I97 HydrophobicContact CE2-CG2 3.98Å; F63-I97 HydrophobicContact CZ-CD1 4.4Å; F63-I97 HydrophobicContact CZ-CG1 4.37Å; F63-I97 HydrophobicContact CZ-CG2 4.05Å; V86-I97 HydrophobicContact CG1-CD1 4.2Å; V86-I97 HydrophobicContact CG1-CG2 4.05Å; A88-I97 HydrophobicContact CB-CD1 3.77Å; L93-I97 HydrophobicContact CD1-CD1 3.9Å; L93-I97 HydrophobicContact CD1-CG1 3.98Å; L93-I97 HydrophobicContact CD2-CD1 4.48Å; L93-I97 HydrophobicContact CG-CD1 3.73Å; L93-I97 HydrophobicContact CG-CG1 4.28Å; L93-I97 WeakPolarHBondContact O-CB 3.21Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 2.8Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.36Å; I97-D100 PolarHBondContact O-N 3.25Å; I97-F101 HydrophobicContact CG2-CD2 3.7Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.31Å; I97-F101 WeakPolarHBondContact O-CD2 3.39Å; I97-F101 PolarHBondContact O-N 3.19Å; I97-V135 HydrophobicContact CB-CG1 3.82Å; I97-V135 HydrophobicContact CG2-CG1 3.71Å; I97-V135 HydrophobicContact CG2-CG2 4.03Å; I97-D161 HydrophobicContact CD1-CB 4.05Å; I97-D161 WeakPolarHBondContact CD1-OD2 3.33Å
98A96Very high89.7Confident3 Ų333.7 Ų33.73%0.02518%0.184CC..Hα-helixtrans-59.7-44.4176.500000111.8V94 T95 Q96 D100 F101 E102 V111 V135V94-A98 VanDerWaalsContact O-CB 3.27Å; V94-A98 WeakPolarHBondContact O-CB 3.45Å; V94-A98 PolarHBondContact O-N 2.8Å; T95-A98 PolarHBondContact O-N 3.01Å; Q96-A98 VanDerWaalsContact C-N 3.33Å; Q96-A98 PolarHBondContact O-N 2.8Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 2.85Å; A98-F101 PolarHBondContact O-N 2.85Å; A98-E102 WeakPolarHBondContact O-CB 3.28Å; A98-E102 VanDerWaalsContact O-CG 3.31Å; A98-E102 WeakPolarHBondContact O-CG 3.3Å; A98-E102 PolarHBondContact O-N 3.27Å; A98-V111 HydrophobicContact CB-CG1 3.99Å; A98-V135 HydrophobicContact CB-CB 4.29Å; A98-V135 HydrophobicContact CB-CG2 4.16Å
99T92.8Very high89.4Confident76 Ų7634.6 Ų34.647%0.46619%0.189SC..Hα-helixtrans-61.6-41.1175.9-550000111.3T95 Q96 I97 E102 S103T95-T99 WeakPolarHBondContact O-CB 3.42Å; T95-T99 PolarHBondContact O-N 3.26Å; T95-T99 PolarHBondContact O-OG1 2.81Å; Q96-T99 WeakPolarHBondContact O-CB 3.4Å; Q96-T99 PolarHBondContact O-N 2.77Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.36Å; T99-E102 PolarHBondContact O-N 3.02Å; T99-S103 WeakPolarHBondContact O-CB 3.43Å; T99-S103 PolarHBondContact O-N 3.49Å
100D92.7Very high89.5Confident19 Ų1939.2 Ų39.210%0.10221%0.209CC..Hα-helixtrans-64.2-45.3176.7-89.4-24.5000111.5R27 T60 Q96 I97 A98 E102 S103 I104R27-D100 IonicContact CZ-OD1 2.62Å; R27-D100 IonicContact NH1-OD1 2.67Å; R27-D100 PolarHBondContact NH1-OD1 3.32Å; R27-D100 IonicContact NH2-OD1 3.57Å; R27-D100 PolarHBondContact NH2-OD1 3.48Å; T60-D100 HydrophobicContact CG2-CB 3.72Å; T60-D100 VanDerWaalsContact CG2-OD2 3.26Å; T60-D100 WeakPolarHBondContact CG2-OD2 3.33Å; Q96-D100 PolarHBondContact O-N 3.05Å; I97-D100 PolarHBondContact O-N 3.25Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 2.85Å; D100-E102 PolarHBondContact O-N 3.15Å; D100-S103 PolarHBondContact O-N 3.24Å; D100-S103 PolarHBondContact O-OG 3.24Å; D100-I104 PolarHBondContact O-N 2.71Å
101F95.5Very high89.9Confident0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-57.7-49172-87.1-73.7000112.1F63 L67 V68 V84 V86 I97 A98 S103 I104 S105 V111 I133 V135F63-F101 HydrophobicContact CD2-CE2 4.27Å; F63-F101 AromaticContact CD2-CZ 3.97Å; F63-F101 HydrophobicContact CD2-CZ 3.97Å; F63-F101 AromaticContact CE2-CE2 3.76Å; F63-F101 HydrophobicContact CE2-CE2 3.76Å; F63-F101 AromaticContact CE2-CZ 3.95Å; F63-F101 HydrophobicContact CE2-CZ 3.95Å; L67-F101 HydrophobicContact CB-CE1 4.39Å; L67-F101 HydrophobicContact CD1-CZ 4.35Å; V68-F101 HydrophobicContact CG2-CD1 3.57Å; V68-F101 HydrophobicContact CG2-CE1 4.04Å; V84-F101 HydrophobicContact CG1-CZ 4.46Å; V86-F101 HydrophobicContact CG2-CE2 3.69Å; V86-F101 HydrophobicContact CG2-CZ 3.92Å; I97-F101 HydrophobicContact CG2-CD2 3.7Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.31Å; I97-F101 WeakPolarHBondContact O-CD2 3.39Å; I97-F101 PolarHBondContact O-N 3.19Å; A98-F101 PolarHBondContact O-N 2.85Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 3.46Å; F101-I104 WeakPolarHBondContact O-CG1 3.38Å; F101-I104 PolarHBondContact O-N 3.21Å; F101-S105 VanDerWaalsContact O-CB 3.25Å; F101-S105 WeakPolarHBondContact O-CB 3.49Å; F101-S105 PolarHBondContact O-N 3.21Å; F101-S105 PolarHBondContact O-OG 3.42Å; F101-V111 HydrophobicContact CB-CG1 4.1Å; F101-V111 HydrophobicContact CB-CG2 3.78Å; F101-I133 HydrophobicContact CB-CD1 4.47Å; F101-I133 HydrophobicContact CD1-CD1 3.59Å; F101-I133 HydrophobicContact CD1-CG2 4.32Å; F101-I133 HydrophobicContact CD2-CG2 4.17Å; F101-I133 HydrophobicContact CE1-CD1 4.04Å; F101-I133 HydrophobicContact CE1-CG2 4.35Å; F101-I133 HydrophobicContact CE2-CG2 4.21Å; F101-I133 HydrophobicContact CG-CD1 4.21Å; F101-I133 HydrophobicContact CG-CG2 4.23Å; F101-I133 HydrophobicContact CZ-CG2 4.3Å; F101-V135 HydrophobicContact CD2-CG2 4.03Å; F101-V135 HydrophobicContact CE2-CG2 4.29Å
102E94Very high90.3Very high104 Ų10436.5 Ų36.549%0.48620%0.201SC..Hα-helixtrans-59.7-38.9-179.5-74.9175.4-179.500112.1A98 T99 D100 I104 S105 V111A98-E102 WeakPolarHBondContact O-CB 3.28Å; A98-E102 VanDerWaalsContact O-CG 3.31Å; A98-E102 WeakPolarHBondContact O-CG 3.3Å; A98-E102 PolarHBondContact O-N 3.27Å; T99-E102 PolarHBondContact O-N 3.02Å; D100-E102 PolarHBondContact O-N 3.15Å; E102-I104 VanDerWaalsContact C-N 3.31Å; E102-I104 PolarHBondContact O-N 3.18Å; E102-S105 PolarHBondContact O-N 3.42Å; E102-V111 HydrophobicContact CG-CB 3.78Å; E102-V111 HydrophobicContact CG-CG1 4.38Å; E102-V111 HydrophobicContact CG-CG2 3.82Å
103S91.8Very high91Very high32 Ų3237.1 Ų37.122%0.22421%0.207CC..Hα-helixtrans-62.4-36.7-177.777.20000113.1K23 R27 T99 D100 F101K23-S103 WeakPolarHBondContact CD-O 3.5Å; K23-S103 PolarHBondContact NZ-O 3.49Å; R27-S103 PolarHBondContact NH1-OG 3.18Å; T99-S103 WeakPolarHBondContact O-CB 3.43Å; T99-S103 PolarHBondContact O-N 3.49Å; D100-S103 PolarHBondContact O-N 3.24Å; D100-S103 PolarHBondContact O-OG 3.24Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 3.46Å
104I92.4Very high91.4Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-98.3-11.1179.763.4169.8000113I20 L24 L61 L65 V68 D100 F101 E102I20-I104 HydrophobicContact CG2-CB 4.3Å; L24-I104 HydrophobicContact CD2-CG2 3.87Å; L61-I104 HydrophobicContact CD1-CD1 4.1Å; L61-I104 HydrophobicContact CD1-CG2 4.27Å; L65-I104 HydrophobicContact CB-CD1 4.39Å; L65-I104 HydrophobicContact CD1-CD1 4.37Å; V68-I104 HydrophobicContact CB-CD1 4.06Å; V68-I104 HydrophobicContact CB-CG1 4.32Å; V68-I104 HydrophobicContact CG1-CG1 4.34Å; V68-I104 HydrophobicContact CG2-CD1 3.94Å; V68-I104 HydrophobicContact CG2-CG1 4.03Å; D100-I104 PolarHBondContact O-N 2.71Å; F101-I104 WeakPolarHBondContact O-CG1 3.38Å; F101-I104 PolarHBondContact O-N 3.21Å; E102-I104 VanDerWaalsContact C-N 3.31Å; E102-I104 PolarHBondContact O-N 3.18Å
105S90.2Very high91.4Very high10 Ų1038.1 Ų38.17%0.0721%0.211CC..PPolyproline II helixtrans-70.1140.6178.1-710000112.1K23 F101 E102K23-S105 WeakPolarHBondContact CE-O 3.36Å; K23-S105 PolarHBondContact NZ-O 3.49Å; F101-S105 VanDerWaalsContact O-CB 3.25Å; F101-S105 WeakPolarHBondContact O-CB 3.49Å; F101-S105 PolarHBondContact O-N 3.21Å; F101-S105 PolarHBondContact O-OG 3.42Å; E102-S105 PolarHBondContact O-N 3.42Å
106V82.3Confident91.4Very high22 Ų2236.6 Ų36.613%0.13321%0.206CC..PPolyproline II helixtrans-97.5170.6176-58.10000111.6V19 I72 G108 I109V19-V106 HydrophobicContact CB-CG1 3.99Å; V19-V106 HydrophobicContact CG1-CB 4.41Å; V19-V106 HydrophobicContact CG1-CG1 3.4Å; V19-V106 VanDerWaalsContact CG1-CG1 3.4Å; I72-V106 HydrophobicContact CD1-CB 4.25Å; I72-V106 HydrophobicContact CD1-CG1 3.7Å; I72-V106 HydrophobicContact CD1-CG2 3.5Å; I72-V106 VanDerWaalsContact CD1-CG2 3.5Å; I72-V106 HydrophobicContact CG1-CG2 3.54Å; V106-G108 PolarHBondContact O-N 3.33Å; V106-I109 HydrophobicContact CG2-CD1 4.35Å; V106-I109 PolarHBondContact O-N 2.93Å
107H72.5Confident91.3Very high187 Ų18737.4 Ų37.487%0.86622%0.224SC*.THydrogen-bonded Turntrans-50.3123-178.8-69.194000111.8
108G81.5Confident91.1Very high51 Ų5139 Ų3953%0.52623%0.234SC..THydrogen-bonded Turntrans112-36.7178.700000113.8V106 K110 H132V106-G108 PolarHBondContact O-N 3.33Å; G108-K110 PolarHBondContact O-N 3.3Å; G108-H132 PolarHBondContact O-CE1 2.84Å; G108-H132 PolarHBondContact O-ND1 2.97Å
109I89.8Confident91Very high19 Ų1943.6 Ų43.610%0.09726%0.263CS..  trans-70.4130.3177.2-61.2176000108.8V68 L71 I72 V106 H132 I133V68-I109 HydrophobicContact CG1-CD1 4.22Å; L71-I109 HydrophobicContact CB-CD1 3.83Å; L71-I109 HydrophobicContact CD1-CG2 4.34Å; I72-I109 HydrophobicContact CG1-CD1 3.84Å; V106-I109 HydrophobicContact CG2-CD1 4.35Å; V106-I109 PolarHBondContact O-N 2.93Å; I109-H132 HydrophobicContact CG2-CB 4.25Å; I109-I133 HydrophobicContact CG2-CD1 3.71Å
110K92.4Very high91.1Very high102 Ų10244 Ų4444%0.44326%0.256SS..  trans-118.7132.2-178.9-71.1-64.3-175.9-173.50109.1G108 T131 H132 I133G108-K110 PolarHBondContact O-N 3.3Å; K110-T131 PolarHBondContact O-OG1 3.48Å; K110-H132 PolarHBondContact N-ND1 2.93Å; K110-H132 VanDerWaalsContact N-ND1 3.12Å; K110-H132 PolarHBondContact O-N 2.91Å; K110-I133 PolarHBondContact O-N 3.21Å
111V95.2Very high91.2Very high16 Ų1652.2 Ų52.210%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-113.3138.9177.1-171.50000106.8A98 F101 E102 I133 V135A98-V111 HydrophobicContact CB-CG1 3.99Å; F101-V111 HydrophobicContact CB-CG1 4.1Å; F101-V111 HydrophobicContact CB-CG2 3.78Å; E102-V111 HydrophobicContact CG-CB 3.78Å; E102-V111 HydrophobicContact CG-CG1 4.38Å; E102-V111 HydrophobicContact CG-CG2 3.82Å; V111-I133 CarbonylContact C-O 3.29Å; V111-I133 WeakPolarHBondContact CA-O 3.3Å; V111-I133 HydrophobicContact CG1-CB 4.33Å; V111-I133 HydrophobicContact CG1-CG2 4.17Å; V111-I133 HydrophobicContact CG2-CB 4.27Å; V111-I133 HydrophobicContact CG2-CD1 3.94Å; V111-V135 HydrophobicContact CG1-CG2 4.15Å
112T96.4Very high91.2Very high14 Ų1456.2 Ų56.29%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-134.5123.5175.9-61.50000109V114 A126 L127 T131 I133 V134 V135T112-V114 HydrophobicContact CG2-CG1 4.13Å; T112-A126 HydrophobicContact CG2-CB 3.85Å; T112-L127 HydrophobicContact CG2-CD2 4.14Å; T112-L127 HydrophobicContact CG2-CG 4.38Å; T112-T131 WeakPolarHBondContact OG1-CB 3.18Å; T112-T131 PolarHBondContact OG1-OG1 3.35Å; T112-I133 PolarHBondContact N-O 2.95Å; T112-V134 WeakPolarHBondContact O-CA 3.26Å; T112-V135 PolarHBondContact O-N 3.18Å
113S97.1Very high91.3Very high36 Ų3651.9 Ų51.925%0.25229%0.292SS..EExtended strand (participates in β ladder)trans-88.2131.8173.652.90000110.8V135S113-V135 CarbonylContact C-O 3.58Å; S113-V135 VanDerWaalsContact CA-O 3.25Å; S113-V135 WeakPolarHBondContact CA-O 3.4Å
114V97.5Very high91.5Very high0 Ų050.9 Ų50.90%028%0.284CS..EExtended strand (participates in β ladder)trans-126.9111.9-179.8-61.70000111.2T112 Q123 L127 V134 V135 G136 A137 R140 V141 L144T112-V114 HydrophobicContact CG2-CG1 4.13Å; V114-Q123 HydrophobicContact CG1-CB 4.47Å; V114-L127 HydrophobicContact CG1-CD1 4.39Å; V114-V134 HydrophobicContact CG1-CG1 4.38Å; V114-V134 HydrophobicContact CG2-CG1 3.64Å; V114-V135 PolarHBondContact N-O 3.28Å; V114-G136 VanDerWaalsContact CG2-CA 3.45Å; V114-G136 CarbonylContact O-C 3.49Å; V114-G136 WeakPolarHBondContact O-CA 3.17Å; V114-A137 PolarHBondContact O-N 3.45Å; V114-R140 HydrophobicContact CB-CG 4.12Å; V114-V141 HydrophobicContact CG2-CG2 3.65Å; V114-L144 HydrophobicContact CB-CD1 3.81Å; V114-L144 HydrophobicContact CG1-CD1 3.67Å; V114-L144 HydrophobicContact CG2-CD1 4.48Å
115Y95.4Very high91.7Very high24 Ų2453.4 Ų53.49%0.09430%0.298CS..  trans-151.7159.4-17956.6-95.7000113.1R91 V94 V118 Q123 R140 Q296 E300R91-Y115 HydrophobicContact CB-CD2 3.78Å; R91-Y115 HydrophobicContact CB-CE2 4.34Å; R91-Y115 HydrophobicContact CB-CG 3.96Å; R91-Y115 HydrophobicContact CG-CD2 3.95Å; R91-Y115 HydrophobicContact CG-CG 4.2Å; V94-Y115 HydrophobicContact CG1-CD1 3.84Å; Y115-V118 HydrophobicContact CD2-CG2 4.19Å; Y115-V118 HydrophobicContact CE2-CG1 3.8Å; Y115-V118 HydrophobicContact CE2-CG2 3.99Å; Y115-Q123 PolarHBondContact O-NE2 3.07Å; Y115-R140 PolarHBondContact O-NH1 2.87Å; Y115-Q296 HydrophobicContact CE2-CG 4.29Å; Y115-E300 PolarHBondContact OH-OE1 3.4Å; Y115-E300 VanDerWaalsContact OH-OE1 3.13Å
116G91.4Very high91.8Very high18 Ų1854.3 Ų54.319%0.18631%0.306CS..THydrogen-bonded Turntrans-66.9169.5-178.600000114.8R91 V118R91-G116 WeakPolarHBondContact CD-O 3.37Å; R91-G116 PolarHBondContact NE-O 3.08Å; G116-V118 PolarHBondContact O-N 3.2Å
117G86.7Confident92.4Very high53 Ų5353.9 Ų53.955%0.54630%0.303SS..THydrogen-bonded Turntrans77.1-1.6172.500000116
118V90.2Very high93.3Very high34 Ų3453.3 Ų53.321%0.20629%0.294CS..SBendtrans-118.3156.4167.6-60.40000110.4Y115 G116 R140 Q296Y115-V118 HydrophobicContact CD2-CG2 4.19Å; Y115-V118 HydrophobicContact CE2-CG1 3.8Å; Y115-V118 HydrophobicContact CE2-CG2 3.99Å; G116-V118 PolarHBondContact O-N 3.2Å; V118-R140 PolarHBondContact O-NH1 2.99Å; V118-R140 PolarHBondContact O-NH2 3.04Å; V118-R140 VanDerWaalsContact O-NH2 3.17Å; V118-Q296 HydrophobicContact CG1-CB 4.36Å; V118-Q296 HydrophobicContact CG1-CG 3.74Å
119P92.6Very high93.8Very high98 Ų9857 Ų5764%0.63630%0.297SS*.  trans-54.8144.8178.3-26.335.2000112.9
120Y95.4Very high93.8Very high85 Ų8556.3 Ų56.333%0.33330%0.295SS..Hα-helixtrans-66.7-38.3178.5-78.4-92.6000112.9Q123 C124 D143 L144 K147Y120-Q123 PolarHBondContact O-N 3.27Å; Y120-Q123 VanDerWaalsContact O-N 3.07Å; Y120-C124 PolarHBondContact O-N 3.46Å; Y120-C124 PolarHBondContact O-SG 3.32Å; Y120-D143 HydrophobicContact CE1-CB 3.96Å; Y120-D143 PolarHBondContact OH-OD2 3.13Å; Y120-L144 HydrophobicContact CD1-CD2 3.94Å; Y120-L144 HydrophobicContact CE1-CD2 4.38Å; Y120-K147 HydrophobicContact CD1-CD 4.34Å; Y120-K147 HydrophobicContact CE1-CD 4.32Å
121R96Very high93.8Very high191 Ų19151.6 Ų51.672%0.72128%0.275SS*.Hα-helixtrans-55-49.6-167.1-178173.1-174.9144.6-0.2113.7Q123 C124 D125R121-Q123 VanDerWaalsContact C-N 3.33Å; R121-Q123 PolarHBondContact O-N 2.87Å; R121-C124 PolarHBondContact O-N 2.79Å; R121-D125 WeakPolarHBondContact CG-OD2 3.43Å; R121-D125 IonicContact NE-OD2 3.52Å; R121-D125 WeakPolarHBondContact O-CB 3.47Å; R121-D125 PolarHBondContact O-N 3.39Å
122P94.9Very high93.7Very high84 Ų8452.1 Ų52.155%0.54528%0.276SS..Hα-helixtrans-59.8-39.8177.3-24.235.2000113.7A126P122-A126 WeakPolarHBondContact O-CB 3.27Å; P122-A126 PolarHBondContact O-N 2.85Å
123Q96.1Very high93.7Very high13 Ų1351.4 Ų51.46%0.06127%0.272CS..Hα-helixtrans-67.6-43.9177.1-66.6178.39.500111.1V114 Y115 Y120 R121 D125 A126 L127 R140V114-Q123 HydrophobicContact CG1-CB 4.47Å; Y115-Q123 PolarHBondContact O-NE2 3.07Å; Y120-Q123 PolarHBondContact O-N 3.27Å; Y120-Q123 VanDerWaalsContact O-N 3.07Å; R121-Q123 VanDerWaalsContact C-N 3.33Å; R121-Q123 PolarHBondContact O-N 2.87Å; Q123-D125 PolarHBondContact O-N 3.02Å; Q123-A126 PolarHBondContact O-N 3.45Å; Q123-L127 VanDerWaalsContact O-CG 3.31Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 2.89Å; Q123-R140 VanDerWaalsContact CD-NH1 3.29Å
124C96Very high93.8Very high11 Ų1149.7 Ų49.77%0.07426%0.26CS..Hα-helixtrans-62.2-42.3176.6-66.20000112.2Y120 R121 L127 R128 V149Y120-C124 PolarHBondContact O-N 3.46Å; Y120-C124 PolarHBondContact O-SG 3.32Å; R121-C124 PolarHBondContact O-N 2.79Å; C124-L127 PolarHBondContact O-N 2.87Å; C124-R128 WeakPolarHBondContact O-CB 3.31Å; C124-R128 VanDerWaalsContact O-CG 3.26Å; C124-R128 WeakPolarHBondContact O-CG 3.41Å; C124-R128 PolarHBondContact O-N 2.98Å; C124-V149 HydrophobicContact CB-CG1 4Å
125D95.4Very high93.8Very high53 Ų5349.7 Ų49.728%0.28326%0.26SS..Hα-helixtrans-67.8-40.1-179.8-66.6-17.8000110.7R121 Q123 R128 Q129R121-D125 WeakPolarHBondContact CG-OD2 3.43Å; R121-D125 IonicContact NE-OD2 3.52Å; R121-D125 WeakPolarHBondContact O-CB 3.47Å; R121-D125 PolarHBondContact O-N 3.39Å; Q123-D125 PolarHBondContact O-N 3.02Å; D125-R128 PolarHBondContact O-N 3.4Å; D125-R128 IonicContact OD1-NH1 3.56Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.34Å; D125-Q129 PolarHBondContact O-N 3.13Å
126A93.3Very high94Very high30 Ų3048.6 Ų48.625%0.24826%0.255CS..Hα-helixtrans-62.1-44.1173.700000112.5T112 P122 Q123 Q129T112-A126 HydrophobicContact CG2-CB 3.85Å; P122-A126 WeakPolarHBondContact O-CB 3.27Å; P122-A126 PolarHBondContact O-N 2.85Å; Q123-A126 PolarHBondContact O-N 3.45Å; A126-Q129 PolarHBondContact O-N 2.96Å
127L94.5Very high94.2Very high13 Ų1348.2 Ų48.27%0.06825%0.251CS..Hα-helixtrans-64.8-42.3176.9-71.4177000112.3T112 V114 Q123 C124 Q129 G130 T131 V134 L144 V149 L150T112-L127 HydrophobicContact CG2-CD2 4.14Å; T112-L127 HydrophobicContact CG2-CG 4.38Å; V114-L127 HydrophobicContact CG1-CD1 4.39Å; Q123-L127 VanDerWaalsContact O-CG 3.31Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 2.89Å; C124-L127 PolarHBondContact O-N 2.87Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 2.99Å; L127-G130 WeakPolarHBondContact O-CA 3.38Å; L127-G130 PolarHBondContact O-N 3.45Å; L127-T131 HydrophobicContact CD2-CG2 3.78Å; L127-V134 HydrophobicContact CD2-CG2 3.74Å; L127-L144 HydrophobicContact CD1-CB 4.47Å; L127-L144 HydrophobicContact CD1-CD1 3.85Å; L127-V149 HydrophobicContact CB-CG1 4.08Å; L127-V149 HydrophobicContact CD1-CG1 4.07Å; L127-L150 HydrophobicContact CD1-CB 4.05Å; L127-L150 HydrophobicContact CD1-CD1 4.35Å; L127-L150 HydrophobicContact CD2-CD1 4.03Å
128R92.1Very high94.7Very high175 Ų17545.7 Ų45.766%0.6623%0.225SC*.Hα-helixtrans-65.6-30.9177.6-75.8171.3-179.5153.8-3.9113.3C124 D125 G130C124-R128 WeakPolarHBondContact O-CB 3.31Å; C124-R128 VanDerWaalsContact O-CG 3.26Å; C124-R128 WeakPolarHBondContact O-CG 3.41Å; C124-R128 PolarHBondContact O-N 2.98Å; D125-R128 PolarHBondContact O-N 3.4Å; D125-R128 IonicContact OD1-NH1 3.56Å; R128-G130 PolarHBondContact O-N 3.42Å
129Q90.5Very high95Very high128 Ų12845.2 Ų45.260%0.59823%0.226SC*.THydrogen-bonded Turntrans-68.7-11.3172.7-71.9172.329.800112.5R78 D125 A126 L127R78-Q129 VanDerWaalsContact CD-O 3.29Å; R78-Q129 WeakPolarHBondContact CD-O 3.12Å; R78-Q129 PolarHBondContact NE-O 2.8Å; R78-Q129 PolarHBondContact NH2-O 2.94Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.34Å; D125-Q129 PolarHBondContact O-N 3.13Å; A126-Q129 PolarHBondContact O-N 2.96Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 2.99Å
130G89.9Confident95.2Very high5 Ų541.2 Ų41.25%0.05220%0.198CC..  trans88.4133-176.100000111.5R78 L127 R128R78-G130 PolarHBondContact NE-O 3.4Å; R78-G130 PolarHBondContact NH2-O 3.02Å; L127-G130 WeakPolarHBondContact O-CA 3.38Å; L127-G130 PolarHBondContact O-N 3.45Å; R128-G130 PolarHBondContact O-N 3.42Å
131T93Very high95.3Very high3 Ų337.2 Ų37.22%0.01818%0.183CC..  trans-138.1149.6177.2-1710000109.9P82 K110 T112 L127 I133 V134P82-T131 WeakPolarHBondContact CA-O 3.48Å; P82-T131 HydrophobicContact CB-CG2 4.39Å; K110-T131 PolarHBondContact O-OG1 3.48Å; T112-T131 WeakPolarHBondContact OG1-CB 3.18Å; T112-T131 PolarHBondContact OG1-OG1 3.35Å; L127-T131 HydrophobicContact CD2-CG2 3.78Å; T131-I133 PolarHBondContact OG1-O 3.32Å; T131-V134 HydrophobicContact CG2-CG2 3.51Å
132H94.1Very high95.4Very high26 Ų2629.1 Ų29.112%0.1215%0.154CC..SBendtrans-89.1-41.4177.9-60.279.2000110.2L71 P79 V83 V84 G108 I109 K110L71-H132 HydrophobicContact CD1-CB 4.41Å; P79-H132 VanDerWaalsContact CD-NE2 3.31Å; P79-H132 WeakPolarHBondContact CD-NE2 3.4Å; V83-H132 HydrophobicContact CG2-CB 4.2Å; V83-H132 VanDerWaalsContact CG2-O 3.24Å; V83-H132 WeakPolarHBondContact CG2-O 3.39Å; V83-H132 PolarHBondContact N-O 2.86Å; V84-H132 PolarHBondContact N-O 3.21Å; V84-H132 VanDerWaalsContact N-O 3.07Å; G108-H132 PolarHBondContact O-CE1 2.84Å; G108-H132 PolarHBondContact O-ND1 2.97Å; I109-H132 HydrophobicContact CG2-CB 4.25Å; K110-H132 PolarHBondContact N-ND1 2.93Å; K110-H132 VanDerWaalsContact N-ND1 3.12Å; K110-H132 PolarHBondContact O-N 2.91Å
133I96.4Very high95.5Very high0 Ų027.7 Ų27.70%014%0.141CC..EExtended strand (participates in β ladder)trans-120127.9-174.8-57.8157.6000108.1V68 L71 V84 F101 I109 K110 V111 T112 T131 V135V68-I133 HydrophobicContact CG2-CD1 4.38Å; L71-I133 HydrophobicContact CD1-CD1 3.83Å; L71-I133 HydrophobicContact CD1-CG1 3.81Å; V84-I133 HydrophobicContact CB-CB 4.34Å; V84-I133 HydrophobicContact CB-CG1 3.94Å; V84-I133 HydrophobicContact CB-CG2 4.21Å; V84-I133 HydrophobicContact CG1-CG2 4.17Å; V84-I133 HydrophobicContact CG2-CG1 4.14Å; V84-I133 WeakPolarHBondContact O-CA 3.47Å; F101-I133 HydrophobicContact CB-CD1 4.47Å; F101-I133 HydrophobicContact CD1-CD1 3.59Å; F101-I133 HydrophobicContact CD1-CG2 4.32Å; F101-I133 HydrophobicContact CD2-CG2 4.17Å; F101-I133 HydrophobicContact CE1-CD1 4.04Å; F101-I133 HydrophobicContact CE1-CG2 4.35Å; F101-I133 HydrophobicContact CE2-CG2 4.21Å; F101-I133 HydrophobicContact CG-CD1 4.21Å; F101-I133 HydrophobicContact CG-CG2 4.23Å; F101-I133 HydrophobicContact CZ-CG2 4.3Å; I109-I133 HydrophobicContact CG2-CD1 3.71Å; K110-I133 PolarHBondContact O-N 3.21Å; V111-I133 CarbonylContact C-O 3.29Å; V111-I133 WeakPolarHBondContact CA-O 3.3Å; V111-I133 HydrophobicContact CG1-CB 4.33Å; V111-I133 HydrophobicContact CG1-CG2 4.17Å; V111-I133 HydrophobicContact CG2-CB 4.27Å; V111-I133 HydrophobicContact CG2-CD1 3.94Å; T112-I133 PolarHBondContact N-O 2.95Å; T131-I133 PolarHBondContact OG1-O 3.32Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å
134V98.1Very high95.6Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-111.1127.2166.5170.90000108.3P82 V84 L85 V86 T112 V114 L127 T131 L150P82-V134 HydrophobicContact CB-CB 4.33Å; P82-V134 HydrophobicContact CB-CG2 3.82Å; P82-V134 HydrophobicContact CG-CB 4.46Å; P82-V134 HydrophobicContact CG-CG2 3.86Å; V84-V134 PolarHBondContact O-N 2.75Å; L85-V134 CarbonylContact C-O 3.53Å; L85-V134 WeakPolarHBondContact CA-O 3.49Å; L85-V134 HydrophobicContact CD1-CB 4.15Å; L85-V134 HydrophobicContact CD1-CG1 3.91Å; V86-V134 PolarHBondContact N-O 3.39Å; T112-V134 WeakPolarHBondContact O-CA 3.26Å; V114-V134 HydrophobicContact CG1-CG1 4.38Å; V114-V134 HydrophobicContact CG2-CG1 3.64Å; L127-V134 HydrophobicContact CD2-CG2 3.74Å; T131-V134 HydrophobicContact CG2-CG2 3.51Å; V134-L150 HydrophobicContact CG2-CD1 4.15Å
135V98.5Very high95.6Very high0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-112.5122.5170.2-171.40000107V86 V94 I97 A98 F101 V111 T112 S113 V114 I133V86-V135 HydrophobicContact CB-CB 4.48Å; V86-V135 HydrophobicContact CB-CG1 4.16Å; V86-V135 HydrophobicContact CB-CG2 4.29Å; V86-V135 HydrophobicContact CG1-CG1 4.29Å; V86-V135 CarbonylContact O-C 3.6Å; V86-V135 WeakPolarHBondContact O-CA 3.28Å; V94-V135 HydrophobicContact CB-CG1 4.25Å; V94-V135 HydrophobicContact CG1-CB 4.28Å; V94-V135 HydrophobicContact CG1-CG1 3.96Å; V94-V135 VanDerWaalsContact CG1-O 3.29Å; V94-V135 WeakPolarHBondContact CG1-O 3.48Å; V94-V135 HydrophobicContact CG2-CG1 4.39Å; V94-V135 WeakPolarHBondContact O-CG1 3.45Å; I97-V135 HydrophobicContact CB-CG1 3.82Å; I97-V135 HydrophobicContact CG2-CG1 3.71Å; I97-V135 HydrophobicContact CG2-CG2 4.03Å; A98-V135 HydrophobicContact CB-CB 4.29Å; A98-V135 HydrophobicContact CB-CG2 4.16Å; F101-V135 HydrophobicContact CD2-CG2 4.03Å; F101-V135 HydrophobicContact CE2-CG2 4.29Å; V111-V135 HydrophobicContact CG1-CG2 4.15Å; T112-V135 PolarHBondContact O-N 3.18Å; S113-V135 CarbonylContact C-O 3.58Å; S113-V135 VanDerWaalsContact CA-O 3.25Å; S113-V135 WeakPolarHBondContact CA-O 3.4Å; V114-V135 PolarHBondContact N-O 3.28Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å
136G98Very high95.6Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-145.8147.9-166.200000115.9V86 L87 A88 V94 V114V86-G136 PolarHBondContact O-N 3.12Å; L87-G136 WeakPolarHBondContact CA-O 3.38Å; A88-G136 PolarHBondContact N-O 3.03Å; V94-G136 VanDerWaalsContact CG2-C 3.45Å; V114-G136 VanDerWaalsContact CG2-CA 3.45Å; V114-G136 CarbonylContact O-C 3.49Å; V114-G136 WeakPolarHBondContact O-CA 3.17Å
137A96.5Very high95.7Very high11 Ų1137.9 Ų37.99%0.09118%0.18CC..  trans-82.2134.2165.300000109A88 V94 V114 G139 R140 V141A88-A137 WeakPolarHBondContact O-CA 3.46Å; V94-A137 HydrophobicContact CG2-CB 4.33Å; V114-A137 PolarHBondContact O-N 3.45Å; A137-G139 PolarHBondContact O-N 3.35Å; A137-R140 PolarHBondContact O-N 2.81Å; A137-V141 PolarHBondContact O-N 3.15Å; A137-V141 VanDerWaalsContact O-N 3.11Å
138P97.4Very high95.6Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-48.6-51.2-169.3-31.835.7000114.6A88 R140 V141 I142 M166 F171 D174 V175 I178A88-P138 WeakPolarHBondContact O-CD 3.37Å; P138-R140 VanDerWaalsContact C-N 3.35Å; P138-R140 PolarHBondContact O-N 2.77Å; P138-V141 WeakPolarHBondContact O-CB 3.42Å; P138-V141 PolarHBondContact O-N 3.13Å; P138-V141 VanDerWaalsContact O-N 3.07Å; P138-I142 PolarHBondContact O-N 2.95Å; P138-M166 HydrophobicContact CG-SD 3.87Å; P138-F171 HydrophobicContact CB-CB 4.23Å; P138-F171 HydrophobicContact CB-CD1 4.4Å; P138-F171 HydrophobicContact CB-CG 4.32Å; P138-F171 HydrophobicContact CG-CB 4.07Å; P138-F171 HydrophobicContact CG-CD2 4.42Å; P138-F171 HydrophobicContact CG-CG 4.18Å; P138-D174 HydrophobicContact CB-CB 3.65Å; P138-V175 HydrophobicContact CB-CG2 4.36Å; P138-V175 HydrophobicContact CG-CG2 3.92Å; P138-I178 HydrophobicContact CB-CD1 4.04Å
139G96Very high95.7Very high23 Ų2332.5 Ų32.524%0.23718%0.176CC..Hα-helixtrans-56.5-42.8-179.700000114.1A137 I142 D143A137-G139 PolarHBondContact O-N 3.35Å; G139-I142 PolarHBondContact O-N 2.87Å; G139-D143 PolarHBondContact O-N 2.99Å
140R96.8Very high95.9Very high15 Ų1526.7 Ų26.76%0.05715%0.149CC..Hα-helixtrans-73.5-30.7178.6-179.856.166.289.6-5.1112.3V114 Y115 V118 Q123 A137 P138 I142 D143 L144V114-R140 HydrophobicContact CB-CG 4.12Å; Y115-R140 PolarHBondContact O-NH1 2.87Å; V118-R140 PolarHBondContact O-NH1 2.99Å; V118-R140 PolarHBondContact O-NH2 3.04Å; V118-R140 VanDerWaalsContact O-NH2 3.17Å; Q123-R140 VanDerWaalsContact CD-NH1 3.29Å; A137-R140 PolarHBondContact O-N 2.81Å; P138-R140 VanDerWaalsContact C-N 3.35Å; P138-R140 PolarHBondContact O-N 2.77Å; R140-I142 VanDerWaalsContact C-N 3.34Å; R140-D143 IonicContact NE-OD2 2.69Å; R140-D143 PolarHBondContact O-N 2.96Å; R140-L144 HydrophobicContact CG-CD1 4Å; R140-L144 HydrophobicContact CG-CG 4.41Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.43Å; R140-L144 PolarHBondContact O-N 3.33Å; R140-L144 VanDerWaalsContact O-N 3.16Å
141V98.3Very high96.1Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-61.4-47.5173.2171.60000109.4L87 V114 A137 P138 L144 M145 L150 I178L87-V141 HydrophobicContact CD2-CB 4.47Å; L87-V141 HydrophobicContact CD2-CG1 4.41Å; L87-V141 HydrophobicContact CD2-CG2 3.94Å; V114-V141 HydrophobicContact CG2-CG2 3.65Å; A137-V141 PolarHBondContact O-N 3.15Å; A137-V141 VanDerWaalsContact O-N 3.11Å; P138-V141 WeakPolarHBondContact O-CB 3.42Å; P138-V141 PolarHBondContact O-N 3.13Å; P138-V141 VanDerWaalsContact O-N 3.07Å; V141-L144 PolarHBondContact O-N 3.44Å; V141-M145 HydrophobicContact CG1-CG 4.47Å; V141-M145 HydrophobicContact CG1-SD 3.74Å; V141-M145 VanDerWaalsContact O-CG 3.24Å; V141-M145 WeakPolarHBondContact O-CG 3.42Å; V141-M145 PolarHBondContact O-N 2.65Å; V141-L150 HydrophobicContact CG1-CD2 3.87Å; V141-I178 HydrophobicContact CB-CD1 3.92Å; V141-I178 HydrophobicContact CG1-CD1 3.72Å; V141-I178 HydrophobicContact CG1-CG1 4Å; V141-I178 HydrophobicContact CG1-CG2 4.34Å
142I97.7Very high96Very high22 Ų2232.8 Ų32.811%0.11317%0.174CC..Hα-helixtrans-59.7-50.2175.7-67.3173.4000111.2P138 G139 R140 L144 M145 E146 D174 I178P138-I142 PolarHBondContact O-N 2.95Å; G139-I142 PolarHBondContact O-N 2.87Å; R140-I142 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 2.91Å; I142-L144 VanDerWaalsContact O-N 3.12Å; I142-M145 WeakPolarHBondContact O-CB 3.31Å; I142-M145 PolarHBondContact O-N 3.04Å; I142-E146 HydrophobicContact CG2-CG 4.13Å; I142-E146 WeakPolarHBondContact O-CG 3.2Å; I142-E146 PolarHBondContact O-N 3.03Å; I142-D174 HydrophobicContact CD1-CB 3.49Å; I142-D174 VanDerWaalsContact CD1-CB 3.49Å; I142-I178 HydrophobicContact CD1-CD1 4.47Å; I142-I178 HydrophobicContact CD1-CG1 4.33Å; I142-I178 HydrophobicContact CG1-CD1 4.04Å; I142-I178 HydrophobicContact CG1-CG1 3.77Å
143D97.3Very high95.8Very high53 Ų5335 Ų3528%0.28319%0.192SC..Hα-helixtrans-52.1-41.5179.4-64.8-31.6000112Y120 G139 R140 K147Y120-D143 HydrophobicContact CE1-CB 3.96Å; Y120-D143 PolarHBondContact OH-OD2 3.13Å; G139-D143 PolarHBondContact O-N 2.99Å; R140-D143 IonicContact NE-OD2 2.69Å; R140-D143 PolarHBondContact O-N 2.96Å; D143-K147 WeakPolarHBondContact O-CB 3.44Å; D143-K147 VanDerWaalsContact O-CG 3.22Å; D143-K147 WeakPolarHBondContact O-CG 3.5Å; D143-K147 PolarHBondContact O-N 3.35Å
144L97.2Very high95.5Very high0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-78.6-29.3-177.7-67171.8000112.5V114 Y120 L127 R140 V141 I142 G148 V149 L150V114-L144 HydrophobicContact CB-CD1 3.81Å; V114-L144 HydrophobicContact CG1-CD1 3.67Å; V114-L144 HydrophobicContact CG2-CD1 4.48Å; Y120-L144 HydrophobicContact CD1-CD2 3.94Å; Y120-L144 HydrophobicContact CE1-CD2 4.38Å; L127-L144 HydrophobicContact CD1-CB 4.47Å; L127-L144 HydrophobicContact CD1-CD1 3.85Å; R140-L144 HydrophobicContact CG-CD1 4Å; R140-L144 HydrophobicContact CG-CG 4.41Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.43Å; R140-L144 PolarHBondContact O-N 3.33Å; R140-L144 VanDerWaalsContact O-N 3.16Å; V141-L144 PolarHBondContact O-N 3.44Å; I142-L144 PolarHBondContact O-N 2.91Å; I142-L144 VanDerWaalsContact O-N 3.12Å; L144-G148 PolarHBondContact O-N 3.46Å; L144-V149 PolarHBondContact O-N 2.82Å; L144-L150 HydrophobicContact CB-CB 3.78Å; L144-L150 HydrophobicContact CB-CD2 4.43Å; L144-L150 PolarHBondContact O-N 2.9Å
145M96Very high95.3Very high37 Ų3737.5 Ų37.518%0.18221%0.21CC..Hα-helixtrans-67.2-48.2171.1-71.5165.461.100111.2V141 I142 K147 G148 L150 L152 I178 K181V141-M145 HydrophobicContact CG1-CG 4.47Å; V141-M145 HydrophobicContact CG1-SD 3.74Å; V141-M145 VanDerWaalsContact O-CG 3.24Å; V141-M145 WeakPolarHBondContact O-CG 3.42Å; V141-M145 PolarHBondContact O-N 2.65Å; I142-M145 WeakPolarHBondContact O-CB 3.31Å; I142-M145 PolarHBondContact O-N 3.04Å; M145-K147 VanDerWaalsContact C-N 3.28Å; M145-K147 PolarHBondContact O-N 3.19Å; M145-G148 WeakPolarHBondContact O-CA 3.46Å; M145-G148 PolarHBondContact O-N 2.66Å; M145-L150 WeakPolarHBondContact CA-O 3.42Å; M145-L150 HydrophobicContact CG-CB 4.32Å; M145-L150 HydrophobicContact CG-CD2 4.21Å; M145-L150 HydrophobicContact CG-CG 4.24Å; M145-L152 HydrophobicContact CE-CD1 3.79Å; M145-L152 HydrophobicContact CG-CD1 4.24Å; M145-L152 HydrophobicContact CG-CG 4.39Å; M145-L152 HydrophobicContact SD-CD1 3.52Å; M145-L152 VanDerWaalsContact SD-CD1 3.52Å; M145-L152 HydrophobicContact SD-CG 4.3Å; M145-I178 HydrophobicContact SD-CG1 4.14Å; M145-K181 HydrophobicContact CE-CB 3.84Å; M145-K181 HydrophobicContact CE-CG 3.71Å
146E95.7Very high95Very high156 Ų15643.9 Ų43.973%0.72923%0.234SC*.Hα-helixtrans-62.8-35.6179-70-177.416500112.2I142 G148I142-E146 HydrophobicContact CG2-CG 4.13Å; I142-E146 WeakPolarHBondContact O-CG 3.2Å; I142-E146 PolarHBondContact O-N 3.03Å; E146-G148 PolarHBondContact O-N 3.39Å
147K94.8Very high95Very high129 Ų12944.9 Ų44.956%0.56124%0.239SC*.THydrogen-bonded Turntrans-71.9-5.3172.5-71.9174.6-173.6-60.90113.8Y120 D143 M145 V149Y120-K147 HydrophobicContact CD1-CD 4.34Å; Y120-K147 HydrophobicContact CE1-CD 4.32Å; D143-K147 WeakPolarHBondContact O-CB 3.44Å; D143-K147 VanDerWaalsContact O-CG 3.22Å; D143-K147 WeakPolarHBondContact O-CG 3.5Å; D143-K147 PolarHBondContact O-N 3.35Å; M145-K147 VanDerWaalsContact C-N 3.28Å; M145-K147 PolarHBondContact O-N 3.19Å; K147-V149 HydrophobicContact CB-CG2 4.07Å; K147-V149 PolarHBondContact O-N 3.2Å
148G92.9Very high95Very high46 Ų4644.3 Ų44.347%0.47423%0.234SC..THydrogen-bonded Turntrans69.612.1-177.800000114.6L144 M145 E146L144-G148 PolarHBondContact O-N 3.46Å; M145-G148 WeakPolarHBondContact O-CA 3.46Å; M145-G148 PolarHBondContact O-N 2.66Å; E146-G148 PolarHBondContact O-N 3.39Å
149V93.8Very high95.1Very high29 Ų2944.3 Ų44.318%0.17623%0.234CC..SBendtrans-84.8-39.2-179.5-178.90000110.7C124 L127 L144 K147C124-V149 HydrophobicContact CB-CG1 4Å; L127-V149 HydrophobicContact CB-CG1 4.08Å; L127-V149 HydrophobicContact CD1-CG1 4.07Å; L144-V149 PolarHBondContact O-N 2.82Å; K147-V149 HydrophobicContact CB-CG2 4.07Å; K147-V149 PolarHBondContact O-N 3.2Å
150L95.9Very high95.2Very high6 Ų643.2 Ų43.23%0.03122%0.223CC..SBendtrans-99.2112.9174.4-179.658.1000109.6P82 L127 V134 V141 L144 M145 L152P82-L150 HydrophobicContact CG-CD1 3.87Å; L127-L150 HydrophobicContact CD1-CB 4.05Å; L127-L150 HydrophobicContact CD1-CD1 4.35Å; L127-L150 HydrophobicContact CD2-CD1 4.03Å; V134-L150 HydrophobicContact CG2-CD1 4.15Å; V141-L150 HydrophobicContact CG1-CD2 3.87Å; L144-L150 HydrophobicContact CB-CB 3.78Å; L144-L150 HydrophobicContact CB-CD2 4.43Å; L144-L150 PolarHBondContact O-N 2.9Å; M145-L150 WeakPolarHBondContact CA-O 3.42Å; M145-L150 HydrophobicContact CG-CB 4.32Å; M145-L150 HydrophobicContact CG-CD2 4.21Å; M145-L150 HydrophobicContact CG-CG 4.24Å; L150-L152 HydrophobicContact CD1-CD2 3.95Å; L150-L152 HydrophobicContact CD2-CD2 4.11Å; L150-L152 HydrophobicContact CG-CD2 3.82Å
151K92.8Very high95.1Very high122 Ų12242.7 Ų42.753%0.5322%0.221SC..  trans-101.4138.1171.2-62.5176.5-177.5177.60108.1S81 P82S81-K151 WeakPolarHBondContact CB-O 3.25Å; P82-K151 VanDerWaalsContact CD-O 3.31Å; P82-K151 WeakPolarHBondContact CD-O 3.36Å
152L92.9Very high94.7Very high14 Ų1443.6 Ų43.67%0.07323%0.225CC..  trans-110.112.6-179.7-57.8-177.7000112.9P82 L85 M145 L150 S154 V155 I178 I182P82-L152 HydrophobicContact CG-CD2 4.29Å; L85-L152 HydrophobicContact CD2-CD1 4.1Å; L85-L152 HydrophobicContact CD2-CD2 4.25Å; M145-L152 HydrophobicContact CE-CD1 3.79Å; M145-L152 HydrophobicContact CG-CD1 4.24Å; M145-L152 HydrophobicContact CG-CG 4.39Å; M145-L152 HydrophobicContact SD-CD1 3.52Å; M145-L152 VanDerWaalsContact SD-CD1 3.52Å; M145-L152 HydrophobicContact SD-CG 4.3Å; L150-L152 HydrophobicContact CD1-CD2 3.95Å; L150-L152 HydrophobicContact CD2-CD2 4.11Å; L150-L152 HydrophobicContact CG-CD2 3.82Å; L152-S154 PolarHBondContact O-N 3.09Å; L152-V155 HydrophobicContact CB-CG2 3.94Å; L152-V155 HydrophobicContact CD2-CG2 3.98Å; L152-V155 WeakPolarHBondContact O-CB 3.48Å; L152-V155 WeakPolarHBondContact O-CG2 3.44Å; L152-V155 PolarHBondContact O-N 3.36Å; L152-I178 HydrophobicContact CD1-CG2 4.04Å; L152-I182 HydrophobicContact CB-CG1 4.05Å; L152-I182 HydrophobicContact CD1-CD1 4.09Å; L152-I182 HydrophobicContact CD1-CG1 3.9Å
153S89.2Confident94.4Very high72 Ų7242.6 Ų42.650%0.50322%0.22SC..THydrogen-bonded Turntrans-67.7-15.5-172.953.80000114.9
154S90.1Very high93.9Very high52 Ų5240.2 Ų40.236%0.36421%0.207SC..THydrogen-bonded Turntrans-111.18.8177.3-45.10000112.9S81 P82 V83 L152 R156S81-S154 WeakPolarHBondContact OG-CB 3.37Å; S81-S154 PolarHBondContact OG-N 2.98Å; S81-S154 PolarHBondContact OG-OG 3.19Å; P82-S154 CarbonylContact O-C 3.55Å; P82-S154 VanDerWaalsContact O-C 3.29Å; V83-S154 WeakPolarHBondContact CA-O 3.25Å; L152-S154 PolarHBondContact O-N 3.09Å; S154-R156 PolarHBondContact O-N 2.74Å
155V93.5Very high93.3Very high1 Ų140.9 Ų40.91%0.00621%0.21CC..  trans-66.8119.1180173.30000108.9P82 L85 L152 H157 V158 I182P82-V155 HydrophobicContact CG-CG2 4.37Å; P82-V155 WeakPolarHBondContact O-CA 3.2Å; P82-V155 WeakPolarHBondContact O-CG2 3.22Å; P82-V155 PolarHBondContact O-N 2.88Å; L85-V155 HydrophobicContact CB-CG1 4.1Å; L85-V155 HydrophobicContact CB-CG2 4.3Å; L152-V155 HydrophobicContact CB-CG2 3.94Å; L152-V155 HydrophobicContact CD2-CG2 3.98Å; L152-V155 WeakPolarHBondContact O-CB 3.48Å; L152-V155 WeakPolarHBondContact O-CG2 3.44Å; L152-V155 PolarHBondContact O-N 3.36Å; V155-H157 WeakPolarHBondContact CG1-O 3.3Å; V155-V158 HydrophobicContact CG1-CG2 3.68Å; V155-I182 HydrophobicContact CG1-CD1 4.37Å
156R93.2Very high93.1Very high134 Ų13439.1 Ų39.151%0.50620%0.201SC..  trans-108.7-17.6176-65.9-171.3-65.1-179.10.3112.9V83 S154 P191 Q192V83-R156 PolarHBondContact O-N 3.4Å; S154-R156 PolarHBondContact O-N 2.74Å; R156-P191 CarbonylContact O-C 3.52Å; R156-P191 VanDerWaalsContact O-CA 3.27Å; R156-P191 WeakPolarHBondContact O-CA 3.48Å; R156-P191 WeakPolarHBondContact O-CB 3.46Å; R156-Q192 PolarHBondContact O-N 3.25Å
157H96.1Very high92.7Very high20 Ų2034 Ų349%0.09318%0.179CC..EExtended strand (participates in β ladder)trans-132.5126.5179-49.6-81.6000110.1L67 V83 V84 L85 V155 Q192L67-H157 HydrophobicContact CD2-CB 3.77Å; L67-H157 WeakPolarHBondContact CD2-ND1 3.49Å; V83-H157 PolarHBondContact O-N 3.02Å; V83-H157 VanDerWaalsContact O-N 3.1Å; V84-H157 WeakPolarHBondContact CA-O 3.46Å; V84-H157 HydrophobicContact CG1-CB 4.36Å; V84-H157 HydrophobicContact CG2-CB 4.15Å; L85-H157 PolarHBondContact N-O 2.8Å; V155-H157 WeakPolarHBondContact CG1-O 3.3Å; H157-Q192 CarbonylContact C-O 3.57Å; H157-Q192 WeakPolarHBondContact CA-O 3.29Å; H157-Q192 PolarHBondContact CE1-OE1 3.48Å; H157-Q192 PolarHBondContact ND1-OE1 3.5Å
158V97.9Very high92Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-116.9129.9174.7179.40000108.8L85 V155 L160 L179 I182 P191 Q192 T193 L194L85-V158 CarbonylContact O-C 3.54Å; L85-V158 WeakPolarHBondContact O-CA 3.38Å; V155-V158 HydrophobicContact CG1-CG2 3.68Å; V158-L160 HydrophobicContact CG1-CD2 4.26Å; V158-L179 HydrophobicContact CG1-CD2 3.78Å; V158-I182 HydrophobicContact CG2-CD1 3.85Å; V158-P191 HydrophobicContact CG2-CB 4.19Å; V158-P191 HydrophobicContact CG2-CG 4.08Å; V158-Q192 PolarHBondContact N-O 2.64Å; V158-T193 WeakPolarHBondContact O-CA 3.48Å; V158-L194 PolarHBondContact O-N 3.23Å
159V98.5Very high91.5Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-121.3129.1174.6-1740000109.4F63 L67 L85 V86 L87 L194 F196F63-V159 HydrophobicContact CB-CG1 4.43Å; F63-V159 HydrophobicContact CB-CG2 4.5Å; F63-V159 HydrophobicContact CD1-CG1 3.95Å; F63-V159 HydrophobicContact CD2-CG1 3.95Å; F63-V159 HydrophobicContact CD2-CG2 4.18Å; F63-V159 HydrophobicContact CE1-CG1 4.09Å; F63-V159 HydrophobicContact CE2-CG1 4.13Å; F63-V159 HydrophobicContact CG-CG1 3.86Å; F63-V159 HydrophobicContact CG-CG2 4.45Å; F63-V159 HydrophobicContact CZ-CG1 4.19Å; L67-V159 HydrophobicContact CD1-CG2 3.74Å; L85-V159 PolarHBondContact O-N 2.91Å; V86-V159 CarbonylContact C-O 3.54Å; V86-V159 WeakPolarHBondContact CA-O 3.34Å; V86-V159 HydrophobicContact CB-CB 4.19Å; V86-V159 HydrophobicContact CG1-CB 3.92Å; V86-V159 HydrophobicContact CG1-CG1 4.11Å; V86-V159 HydrophobicContact CG2-CB 3.83Å; V86-V159 HydrophobicContact CG2-CG2 3.97Å; L87-V159 PolarHBondContact N-O 2.89Å; V159-L194 CarbonylContact C-O 3.51Å; V159-L194 WeakPolarHBondContact CA-O 3.17Å; V159-L194 HydrophobicContact CG1-CB 4.45Å; V159-L194 HydrophobicContact CG2-CB 4.27Å; V159-L194 HydrophobicContact CG2-CD1 4.1Å; V159-F196 HydrophobicContact CG1-CD2 4.13Å; V159-F196 HydrophobicContact CG1-CE2 4.41Å
160L97.9Very high91.2Very high0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-110.598.7171.7-54.9-178.8000108L87 V158 V163 M166 V175 L179 L194 F196 I207L87-L160 HydrophobicContact CB-CD2 3.92Å; L87-L160 HydrophobicContact CD1-CD2 3.72Å; L87-L160 HydrophobicContact CG-CD2 4.1Å; V158-L160 HydrophobicContact CG1-CD2 4.26Å; L160-V163 HydrophobicContact CB-CB 4.09Å; L160-V163 HydrophobicContact CB-CG2 4.19Å; L160-V163 HydrophobicContact CD1-CG2 4.18Å; L160-M166 HydrophobicContact CB-CE 3.86Å; L160-M166 HydrophobicContact CD2-CE 4.17Å; L160-V175 HydrophobicContact CD1-CG1 4.36Å; L160-V175 HydrophobicContact CD2-CG1 4.2Å; L160-L179 HydrophobicContact CD1-CD1 4.18Å; L160-L194 PolarHBondContact N-O 3.19Å; L160-F196 PolarHBondContact O-N 2.77Å; L160-I207 HydrophobicContact CD1-CG2 3.72Å
161D95.4Very high91.1Very high3 Ų335 Ų352%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-97.1138178.4-165.623.5000111F63 L87 P89 I97 F196F63-D161 HydrophobicContact CE1-CB 4.32Å; F63-D161 HydrophobicContact CZ-CB 4.47Å; L87-D161 PolarHBondContact O-N 3.07Å; P89-D161 WeakPolarHBondContact CD-O 3.37Å; I97-D161 HydrophobicContact CD1-CB 4.05Å; I97-D161 WeakPolarHBondContact CD1-OD2 3.33Å; D161-F196 WeakPolarHBondContact OD1-CB 3.35Å
162E90.9Very high91.1Very high20 Ų2030.5 Ų30.59%0.09317%0.171CC..SBendtrans47.756.6-168.6-60.3-168.9177.100111.4P89 L93 R165 M166 F196P89-E162 HydrophobicContact CG-CB 3.83Å; L93-E162 HydrophobicContact CD2-CB 4.1Å; L93-E162 HydrophobicContact CD2-CG 3.76Å; E162-R165 HydrophobicContact CB-CB 3.83Å; E162-R165 WeakPolarHBondContact O-CB 3.32Å; E162-R165 PolarHBondContact O-N 3.29Å; E162-M166 PolarHBondContact O-N 3.5Å; E162-M166 VanDerWaalsContact O-N 3.15Å; E162-F196 PolarHBondContact N-O 2.98Å
163V91.3Very high91.2Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-70.9-36.5-175.164.10000113.7L160 R165 M166 L167 L195 F196 W203 V204L160-V163 HydrophobicContact CB-CB 4.09Å; L160-V163 HydrophobicContact CB-CG2 4.19Å; L160-V163 HydrophobicContact CD1-CG2 4.18Å; V163-R165 PolarHBondContact O-N 2.64Å; V163-M166 HydrophobicContact CB-CE 3.92Å; V163-M166 HydrophobicContact CG2-CE 4.01Å; V163-M166 WeakPolarHBondContact O-CB 2.73Å; V163-M166 PolarHBondContact O-N 3.37Å; V163-L167 PolarHBondContact O-N 2.94Å; V163-L195 HydrophobicContact CB-CG 4.38Å; V163-L195 HydrophobicContact CG1-CD1 4.07Å; V163-L195 HydrophobicContact CG1-CD2 3.42Å; V163-L195 VanDerWaalsContact CG1-CD2 3.42Å; V163-L195 HydrophobicContact CG1-CG 3.6Å; V163-F196 PolarHBondContact N-O 3.06Å; V163-W203 HydrophobicContact CG2-CH2 4Å; V163-W203 HydrophobicContact CG2-CZ3 3.58Å; V163-W203 WeakPolarHBondContact O-CZ3 3.38Å; V163-V204 HydrophobicContact CG1-CB 4.45Å; V163-V204 HydrophobicContact CG1-CG1 3.57Å; V163-V204 HydrophobicContact CG1-CG2 3.95Å; V163-V204 HydrophobicContact CG2-CG2 4.29Å
164D86.4Confident91.6Very high3 Ų336.3 Ų36.32%0.01619%0.189CC..Hα-helixtrans-50.2-41.6166.9494.2000111M166 L167 D168 S197 A198 T199 P201 V204D164-M166 PolarHBondContact O-N 2.89Å; D164-L167 VanDerWaalsContact O-CB 3.32Å; D164-L167 WeakPolarHBondContact O-CB 3.25Å; D164-L167 PolarHBondContact O-N 3.43Å; D164-D168 PolarHBondContact O-N 3.41Å; D164-S197 VanDerWaalsContact CB-OG 3.3Å; D164-S197 WeakPolarHBondContact CB-OG 3.42Å; D164-S197 PolarHBondContact OD1-OG 3.4Å; D164-S197 PolarHBondContact OD2-OG 3.33Å; D164-S197 VanDerWaalsContact OD2-OG 3.04Å; D164-A198 WeakPolarHBondContact OD2-CA 3.36Å; D164-A198 WeakPolarHBondContact OD2-CB 3.44Å; D164-A198 PolarHBondContact OD2-N 3.34Å; D164-T199 PolarHBondContact OD2-N 3.11Å; D164-T199 PolarHBondContact OD2-OG1 2.94Å; D164-P201 HydrophobicContact CB-CG 4.38Å; D164-V204 HydrophobicContact CB-CG2 4.36Å
165R84.3Confident91.9Very high14 Ų1433.8 Ų33.85%0.05317%0.171CC..Hα-helixtrans-71.3-30.4178.7-17164.5-122.4156.50.2113.4P89 E162 V163 L167 D168 M169 R322P89-R165 HydrophobicContact CB-CB 4.27Å; P89-R165 HydrophobicContact CB-CG 3.85Å; P89-R165 HydrophobicContact CG-CB 3.96Å; P89-R165 HydrophobicContact CG-CG 3.69Å; E162-R165 HydrophobicContact CB-CB 3.83Å; E162-R165 WeakPolarHBondContact O-CB 3.32Å; E162-R165 PolarHBondContact O-N 3.29Å; V163-R165 PolarHBondContact O-N 2.64Å; R165-L167 VanDerWaalsContact C-N 3.33Å; R165-D168 IonicContact CZ-OD2 2.76Å; R165-D168 IonicContact NH1-OD2 2.89Å; R165-D168 PolarHBondContact NH1-OD2 3.01Å; R165-D168 PolarHBondContact O-N 2.91Å; R165-M169 HydrophobicContact CG-SD 4.37Å; R165-M169 VanDerWaalsContact NH2-CG 3.29Å; R165-M169 VanDerWaalsContact O-CG 3.3Å; R165-M169 WeakPolarHBondContact O-CG 3.4Å; R165-M169 PolarHBondContact O-N 3.32Å; R165-R322 VanDerWaalsContact NE-CD 3.29Å
166M91.3Very high92Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-65.2-38.3172.5-70.5-169-84.400111.3L87 P89 P138 L160 E162 V163 D164 M169 G170 F171 V175L87-M166 HydrophobicContact CB-CE 4.29Å; L87-M166 HydrophobicContact CB-SD 4.08Å; P89-M166 HydrophobicContact CB-CG 3.84Å; P89-M166 HydrophobicContact CG-CG 4.37Å; P138-M166 HydrophobicContact CG-SD 3.87Å; L160-M166 HydrophobicContact CB-CE 3.86Å; L160-M166 HydrophobicContact CD2-CE 4.17Å; E162-M166 PolarHBondContact O-N 3.5Å; E162-M166 VanDerWaalsContact O-N 3.15Å; V163-M166 HydrophobicContact CB-CE 3.92Å; V163-M166 HydrophobicContact CG2-CE 4.01Å; V163-M166 WeakPolarHBondContact O-CB 2.73Å; V163-M166 PolarHBondContact O-N 3.37Å; D164-M166 PolarHBondContact O-N 2.89Å; M166-M169 PolarHBondContact O-N 3.34Å; M166-G170 PolarHBondContact O-N 3.35Å; M166-F171 HydrophobicContact CB-CB 4.27Å; M166-F171 WeakPolarHBondContact O-CB 3.31Å; M166-F171 PolarHBondContact O-N 2.95Å; M166-V175 HydrophobicContact CB-CG2 4.27Å; M166-V175 HydrophobicContact CE-CG2 4.38Å; M166-V175 HydrophobicContact SD-CG2 3.6Å; M166-V175 VanDerWaalsContact SD-CG2 3.6Å
167L87.6Confident92.2Very high49 Ų4933.6 Ų33.626%0.25718%0.183SC..Hα-helixtrans-60-52.3172176.464.7000111.5V163 D164 R165 M169 G170 P201 W203V163-L167 PolarHBondContact O-N 2.94Å; D164-L167 VanDerWaalsContact O-CB 3.32Å; D164-L167 WeakPolarHBondContact O-CB 3.25Å; D164-L167 PolarHBondContact O-N 3.43Å; R165-L167 VanDerWaalsContact C-N 3.33Å; L167-M169 PolarHBondContact O-N 2.94Å; L167-M169 VanDerWaalsContact O-N 3.09Å; L167-G170 PolarHBondContact O-N 3.4Å; L167-P201 HydrophobicContact CD2-CB 4.17Å; L167-P201 HydrophobicContact CD2-CG 3.91Å; L167-W203 HydrophobicContact CB-CD2 4.29Å; L167-W203 HydrophobicContact CB-CE3 3.61Å; L167-W203 HydrophobicContact CB-CZ3 3.91Å; L167-W203 HydrophobicContact CD1-CB 3.89Å; L167-W203 HydrophobicContact CD1-CD2 3.89Å; L167-W203 HydrophobicContact CD1-CE3 4.09Å; L167-W203 HydrophobicContact CD1-CG 3.8Å; L167-W203 HydrophobicContact CD2-CB 3.89Å; L167-W203 HydrophobicContact CD2-CE3 4.3Å; L167-W203 HydrophobicContact CG-CB 4.45Å; L167-W203 HydrophobicContact CG-CD2 4.49Å; L167-W203 HydrophobicContact CG-CE3 4.2Å
168D80.4Confident92.2Very high78 Ų7832.7 Ų32.742%0.41718%0.178SC..Hα-helixtrans-60-24.2-178.4-70.9-17.9000113.9D164 R165 G170D164-D168 PolarHBondContact O-N 3.41Å; R165-D168 IonicContact CZ-OD2 2.76Å; R165-D168 IonicContact NH1-OD2 2.89Å; R165-D168 PolarHBondContact NH1-OD2 3.01Å; R165-D168 PolarHBondContact O-N 2.91Å; D168-G170 VanDerWaalsContact C-N 3.35Å
169M82.8Confident92.1Very high57 Ų5732.7 Ų32.728%0.28118%0.178SC..THydrogen-bonded Turntrans-91.1-0.4178.2-68.9-175.466.700113P89 T90 R165 M166 L167 F171P89-M169 HydrophobicContact CB-SD 3.75Å; T90-M169 HydrophobicContact CG2-CE 4.28Å; T90-M169 HydrophobicContact CG2-SD 4.06Å; R165-M169 HydrophobicContact CG-SD 4.37Å; R165-M169 VanDerWaalsContact NH2-CG 3.29Å; R165-M169 VanDerWaalsContact O-CG 3.3Å; R165-M169 WeakPolarHBondContact O-CG 3.4Å; R165-M169 PolarHBondContact O-N 3.32Å; M166-M169 PolarHBondContact O-N 3.34Å; L167-M169 PolarHBondContact O-N 2.94Å; L167-M169 VanDerWaalsContact O-N 3.09Å; M169-F171 VanDerWaalsContact C-N 3.32Å; M169-F171 HydrophobicContact CB-CD2 3.61Å; M169-F171 HydrophobicContact CB-CE2 3.68Å; M169-F171 HydrophobicContact CB-CG 4.42Å; M169-F171 HydrophobicContact CE-CE2 3.75Å; M169-F171 HydrophobicContact CE-CZ 4.33Å; M169-F171 HydrophobicContact SD-CE2 4.23Å
170G87.9Confident91.9Very high51 Ų5134.5 Ų34.553%0.52619%0.191SC..THydrogen-bonded Turntrans76.917-178.800000113.8M166 L167 D168 S172M166-G170 PolarHBondContact O-N 3.35Å; L167-G170 PolarHBondContact O-N 3.4Å; D168-G170 VanDerWaalsContact C-N 3.35Å; G170-S172 PolarHBondContact O-N 3.3Å
171F92.6Very high91.6Very high46 Ų4641.2 Ų41.220%0.20222%0.22CC..  trans-84.710.3177.4-63.4-49.8000113.2P89 P138 M166 M169 K173 D174 V175P89-F171 WeakPolarHBondContact O-CE2 3.35Å; P138-F171 HydrophobicContact CB-CB 4.23Å; P138-F171 HydrophobicContact CB-CD1 4.4Å; P138-F171 HydrophobicContact CB-CG 4.32Å; P138-F171 HydrophobicContact CG-CB 4.07Å; P138-F171 HydrophobicContact CG-CD2 4.42Å; P138-F171 HydrophobicContact CG-CG 4.18Å; M166-F171 HydrophobicContact CB-CB 4.27Å; M166-F171 WeakPolarHBondContact O-CB 3.31Å; M166-F171 PolarHBondContact O-N 2.95Å; M169-F171 VanDerWaalsContact C-N 3.32Å; M169-F171 HydrophobicContact CB-CD2 3.61Å; M169-F171 HydrophobicContact CB-CE2 3.68Å; M169-F171 HydrophobicContact CB-CG 4.42Å; M169-F171 HydrophobicContact CE-CE2 3.75Å; M169-F171 HydrophobicContact CE-CZ 4.33Å; M169-F171 HydrophobicContact SD-CE2 4.23Å; F171-K173 PolarHBondContact O-N 2.84Å; F171-D174 HydrophobicContact CB-CB 4.44Å; F171-D174 WeakPolarHBondContact CD1-OD2 3.48Å; F171-D174 PolarHBondContact O-N 2.78Å; F171-D174 VanDerWaalsContact O-N 3.14Å; F171-V175 HydrophobicContact CB-CG2 4.5Å; F171-V175 WeakPolarHBondContact O-CG2 3.38Å; F171-V175 PolarHBondContact O-N 3.2Å
172S92.4Very high91.5Very high27 Ų2741.2 Ų41.219%0.18922%0.22CC..Hα-helixtrans-56.1-51.4-178.350.60000112.2G170 D174 V175 E176 W203G170-S172 PolarHBondContact O-N 3.3Å; S172-D174 VanDerWaalsContact C-N 3.29Å; S172-D174 PolarHBondContact O-N 2.74Å; S172-V175 PolarHBondContact O-N 2.94Å; S172-E176 WeakPolarHBondContact O-CB 3.37Å; S172-E176 VanDerWaalsContact O-CG 3.32Å; S172-E176 WeakPolarHBondContact O-CG 3.49Å; S172-E176 PolarHBondContact O-N 3.45Å; S172-W203 VanDerWaalsContact CA-CZ2 3.46Å
173K95.3Very high91.5Very high161 Ų16142.9 Ų42.970%0.723%0.226SC*.Hα-helixtrans-60.6-38.3176.6-67.1-174.1176.9-176.20112.5F171 S177F171-K173 PolarHBondContact O-N 2.84Å; K173-S177 VanDerWaalsContact O-CB 3.3Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3.45Å
174D97.2Very high91.3Very high46 Ų4649 Ų4925%0.24626%0.259CS..Hα-helixtrans-68-45.3-179.2-670000110.8P138 I142 F171 S172 S177 I178P138-D174 HydrophobicContact CB-CB 3.65Å; I142-D174 HydrophobicContact CD1-CB 3.49Å; I142-D174 VanDerWaalsContact CD1-CB 3.49Å; F171-D174 HydrophobicContact CB-CB 4.44Å; F171-D174 WeakPolarHBondContact CD1-OD2 3.48Å; F171-D174 PolarHBondContact O-N 2.78Å; F171-D174 VanDerWaalsContact O-N 3.14Å; S172-D174 VanDerWaalsContact C-N 3.29Å; S172-D174 PolarHBondContact O-N 2.74Å; D174-S177 PolarHBondContact O-N 3.43Å; D174-I178 WeakPolarHBondContact O-CD1 3.2Å; D174-I178 VanDerWaalsContact O-CG1 3.27Å; D174-I178 WeakPolarHBondContact O-CG1 3.28Å; D174-I178 PolarHBondContact O-N 2.93Å
175V97.4Very high90.9Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-61.8-47.2176.21720000110.4L87 P138 L160 M166 F171 S172 S177 I178 L179 W203L87-V175 HydrophobicContact CD1-CG2 4.4Å; P138-V175 HydrophobicContact CB-CG2 4.36Å; P138-V175 HydrophobicContact CG-CG2 3.92Å; L160-V175 HydrophobicContact CD1-CG1 4.36Å; L160-V175 HydrophobicContact CD2-CG1 4.2Å; M166-V175 HydrophobicContact CB-CG2 4.27Å; M166-V175 HydrophobicContact CE-CG2 4.38Å; M166-V175 HydrophobicContact SD-CG2 3.6Å; M166-V175 VanDerWaalsContact SD-CG2 3.6Å; F171-V175 HydrophobicContact CB-CG2 4.5Å; F171-V175 WeakPolarHBondContact O-CG2 3.38Å; F171-V175 PolarHBondContact O-N 3.2Å; S172-V175 PolarHBondContact O-N 2.94Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.49Å; V175-I178 PolarHBondContact O-N 2.91Å; V175-L179 HydrophobicContact CG1-CD1 3.76Å; V175-L179 HydrophobicContact CG1-CG 4.25Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 VanDerWaalsContact O-CG 3.28Å; V175-L179 WeakPolarHBondContact O-CG 3.25Å; V175-L179 PolarHBondContact O-N 2.92Å; V175-W203 HydrophobicContact CB-CH2 4.2Å; V175-W203 HydrophobicContact CB-CZ2 4.24Å; V175-W203 HydrophobicContact CG1-CH2 4.14Å; V175-W203 HydrophobicContact CG1-CZ2 4.3Å; V175-W203 HydrophobicContact CG2-CH2 4.47Å
176E96.2Very high90.2Very high73 Ų7359.4 Ų59.434%0.34131%0.312SS..Hα-helixtrans-60.4-39.9176.1-72.3167.8-150.700112.3S172 L179 S180 W203 I207S172-E176 WeakPolarHBondContact O-CB 3.37Å; S172-E176 VanDerWaalsContact O-CG 3.32Å; S172-E176 WeakPolarHBondContact O-CG 3.49Å; S172-E176 PolarHBondContact O-N 3.45Å; E176-L179 PolarHBondContact O-N 3.21Å; E176-S180 WeakPolarHBondContact O-CB 3.45Å; E176-S180 PolarHBondContact O-N 3.4Å; E176-S180 PolarHBondContact O-OG 2.92Å; E176-W203 PolarHBondContact OE1-NE1 3.3Å; E176-I207 HydrophobicContact CG-CD1 3.97Å
177S96.1Very high89.1Confident58 Ų5867 Ų6741%0.40635%0.353SS..Hα-helixtrans-63.2-43176.3-174.20000112K173 D174 V175 S180 K181K173-S177 VanDerWaalsContact O-CB 3.3Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3.45Å; D174-S177 PolarHBondContact O-N 3.43Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.49Å; S177-S180 PolarHBondContact O-OG 3.36Å; S177-K181 PolarHBondContact O-N 3.45Å
178I97Very high88.1Confident0 Ų066.3 Ų66.30%035%0.353CS..Hα-helixtrans-65.5-49.4177-65.8161.9000110.5L85 L87 P138 V141 I142 M145 L152 D174 V175 K181 I182L85-I178 HydrophobicContact CD2-CG2 3.71Å; L87-I178 HydrophobicContact CD1-CB 4.33Å; L87-I178 HydrophobicContact CD1-CD1 3.89Å; L87-I178 HydrophobicContact CD1-CG2 4.05Å; L87-I178 HydrophobicContact CD2-CD1 4.05Å; P138-I178 HydrophobicContact CB-CD1 4.04Å; V141-I178 HydrophobicContact CB-CD1 3.92Å; V141-I178 HydrophobicContact CG1-CD1 3.72Å; V141-I178 HydrophobicContact CG1-CG1 4Å; V141-I178 HydrophobicContact CG1-CG2 4.34Å; I142-I178 HydrophobicContact CD1-CD1 4.47Å; I142-I178 HydrophobicContact CD1-CG1 4.33Å; I142-I178 HydrophobicContact CG1-CD1 4.04Å; I142-I178 HydrophobicContact CG1-CG1 3.77Å; M145-I178 HydrophobicContact SD-CG1 4.14Å; L152-I178 HydrophobicContact CD1-CG2 4.04Å; D174-I178 WeakPolarHBondContact O-CD1 3.2Å; D174-I178 VanDerWaalsContact O-CG1 3.27Å; D174-I178 WeakPolarHBondContact O-CG1 3.28Å; D174-I178 PolarHBondContact O-N 2.93Å; V175-I178 PolarHBondContact O-N 2.91Å; I178-K181 PolarHBondContact O-N 3.17Å; I178-I182 HydrophobicContact CG2-CD1 4.17Å; I178-I182 WeakPolarHBondContact O-CG1 3.22Å; I178-I182 PolarHBondContact O-N 3.39Å
179L96Very high88.3Confident0 Ų070.8 Ų70.80%037%0.371CS..Hα-helixtrans-63.2-47.7-178.3-69.5175.5000111.7V158 L160 V175 E176 K181 I182 Y183 I207 Y211V158-L179 HydrophobicContact CG1-CD2 3.78Å; L160-L179 HydrophobicContact CD1-CD1 4.18Å; V175-L179 HydrophobicContact CG1-CD1 3.76Å; V175-L179 HydrophobicContact CG1-CG 4.25Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 VanDerWaalsContact O-CG 3.28Å; V175-L179 WeakPolarHBondContact O-CG 3.25Å; V175-L179 PolarHBondContact O-N 2.92Å; E176-L179 PolarHBondContact O-N 3.21Å; L179-K181 PolarHBondContact O-N 3.1Å; L179-I182 WeakPolarHBondContact O-CB 3.4Å; L179-I182 PolarHBondContact O-N 3.49Å; L179-Y183 WeakPolarHBondContact O-CD2 3.41Å; L179-Y183 PolarHBondContact O-N 3.11Å; L179-I207 HydrophobicContact CD1-CD1 4.29Å; L179-I207 HydrophobicContact CD1-CG2 4.3Å; L179-Y211 HydrophobicContact CB-CD1 4.13Å; L179-Y211 HydrophobicContact CB-CE1 3.6Å; L179-Y211 HydrophobicContact CB-CE2 4.11Å; L179-Y211 HydrophobicContact CD1-CD1 4.48Å; L179-Y211 HydrophobicContact CD1-CD2 3.68Å; L179-Y211 HydrophobicContact CD1-CE1 4.43Å; L179-Y211 HydrophobicContact CD1-CE2 3.62Å; L179-Y211 HydrophobicContact CD1-CG 4.13Å
180S92.7Very high88.6Confident39 Ų3972.9 Ų72.927%0.27338%0.379SS..Hα-helixtrans-57.9-36176.9600000112.1E176 S177 I182 N184E176-S180 WeakPolarHBondContact O-CB 3.45Å; E176-S180 PolarHBondContact O-N 3.4Å; E176-S180 PolarHBondContact O-OG 2.92Å; S177-S180 PolarHBondContact O-OG 3.36Å; S180-I182 VanDerWaalsContact C-N 3.32Å; S180-I182 PolarHBondContact O-N 3.08Å; S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.17Å; S180-N184 PolarHBondContact O-ND2 3.36Å
181K91.9Very high88.9Confident140 Ų14070.7 Ų70.761%0.60936%0.355SS*.Hα-helixtrans-66.3-33.6176.1-169.962177.4-178.80113.1M145 S177 I178 L179M145-K181 HydrophobicContact CE-CB 3.84Å; M145-K181 HydrophobicContact CE-CG 3.71Å; S177-K181 PolarHBondContact O-N 3.45Å; I178-K181 PolarHBondContact O-N 3.17Å; L179-K181 PolarHBondContact O-N 3.1Å
182I93.1Very high89.1Confident3 Ų369 Ų692%0.01535%0.348CS..Hα-helixtrans-74.1-49.9176.9-62.4166.4000110L85 L152 V155 V158 I178 L179 S180 S185 P191L85-I182 HydrophobicContact CD2-CD1 3.81Å; L152-I182 HydrophobicContact CB-CG1 4.05Å; L152-I182 HydrophobicContact CD1-CD1 4.09Å; L152-I182 HydrophobicContact CD1-CG1 3.9Å; V155-I182 HydrophobicContact CG1-CD1 4.37Å; V158-I182 HydrophobicContact CG2-CD1 3.85Å; I178-I182 HydrophobicContact CG2-CD1 4.17Å; I178-I182 WeakPolarHBondContact O-CG1 3.22Å; I178-I182 PolarHBondContact O-N 3.39Å; L179-I182 WeakPolarHBondContact O-CB 3.4Å; L179-I182 PolarHBondContact O-N 3.49Å; S180-I182 VanDerWaalsContact C-N 3.32Å; S180-I182 PolarHBondContact O-N 3.08Å; I182-S185 WeakPolarHBondContact O-CB 3.23Å; I182-P191 HydrophobicContact CG2-CG 3.84Å
183Y91.3Very high89.3Confident55 Ų5567.8 Ų67.822%0.21634%0.339CS..Hα-helixtrans-75.8-29.1-173-82.3-106.6000114.1L179 S185 K190 P191 T193 Y211L179-Y183 WeakPolarHBondContact O-CD2 3.41Å; L179-Y183 PolarHBondContact O-N 3.11Å; Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.97Å; Y183-K190 HydrophobicContact CE1-CD 4.45Å; Y183-K190 HydrophobicContact CE1-CG 4.05Å; Y183-P191 HydrophobicContact CD2-CG 4.41Å; Y183-P191 HydrophobicContact CE2-CG 3.75Å; Y183-T193 PolarHBondContact OH-OG1 3.32Å; Y183-Y211 AromaticContact CD1-CD1 3.98Å; Y183-Y211 HydrophobicContact CD1-CD1 3.98Å; Y183-Y211 AromaticContact CD2-CD1 3.63Å; Y183-Y211 HydrophobicContact CD2-CD1 3.63Å; Y183-Y211 HydrophobicContact CD2-CE1 4.03Å; Y183-Y211 AromaticContact CE1-CD1 3.96Å; Y183-Y211 HydrophobicContact CE1-CD1 3.96Å; Y183-Y211 WeakPolarHBondContact CE1-O 3.45Å; Y183-Y211 AromaticContact CE2-CD1 3.64Å; Y183-Y211 HydrophobicContact CE2-CD1 3.64Å; Y183-Y211 HydrophobicContact CE2-CE1 4.44Å; Y183-Y211 HydrophobicContact CE2-CG 4.36Å; Y183-Y211 AromaticContact CG-CD1 3.81Å; Y183-Y211 HydrophobicContact CG-CD1 3.81Å; Y183-Y211 HydrophobicContact CG-CE1 4.12Å; Y183-Y211 AromaticContact CZ-CD1 3.79Å; Y183-Y211 PolarHBondContact OH-O 2.92Å
184N86.8Confident89.5Confident128 Ų12860.1 Ų60.168%0.68431%0.305SS*.THydrogen-bonded Turntrans-88.310.7179.6-60.8-22.7000113.2S180 E186S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.17Å; S180-N184 PolarHBondContact O-ND2 3.36Å; N184-E186 PolarHBondContact O-N 3.34Å
185S79.2Confident89.5Confident42 Ų4257.9 Ų57.929%0.29429%0.294SS..  trans-78.6111.5178.8178.90000110.2I182 Y183 N187 S188I182-S185 WeakPolarHBondContact O-CB 3.23Å; Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.97Å; S185-N187 PolarHBondContact O-N 3.43Å; S185-S188 PolarHBondContact O-N 3.34Å
186E70.1Confident89.4Confident194 Ų19457.9 Ų57.991%0.90729%0.294SS*.THydrogen-bonded Turntrans-51.6-25.9-175.8-68.3-177.8164.200115N184N184-E186 PolarHBondContact O-N 3.34Å
187N66.2Low89.1Confident160 Ų16054.4 Ų54.486%0.85628%0.278SS*.THydrogen-bonded Turntrans-108.513.9-177.3-69.9-29.6000114.4S185S185-N187 PolarHBondContact O-N 3.43Å
188S67.4Low88.4Confident35 Ų3552.4 Ų52.425%0.24526%0.264CS..  trans-112.3130.1-179.1-164.80000111.6S185S185-S188 PolarHBondContact O-N 3.34Å
189E84.1Confident87.7Confident171 Ų17153.8 Ų53.880%0.79927%0.273SS*.PPolyproline II helixtrans-62151.8163-68.6178.117000109.9P191E189-P191 WeakPolarHBondContact O-CD 3.48Å
190K89.9Confident87.2Confident102 Ų10256.8 Ų56.844%0.44329%0.287SS..PPolyproline II helixtrans-56.7122.5173.9171.7173.5176.5-76.30109D48 Y183 Y211 S213D48-K190 IonicContact OD1-NZ 3.67Å; D48-K190 IonicContact OD2-NZ 2.64Å; D48-K190 PolarHBondContact OD2-NZ 3.34Å; Y183-K190 HydrophobicContact CE1-CD 4.45Å; Y183-K190 HydrophobicContact CE1-CG 4.05Å; K190-Y211 WeakPolarHBondContact CE-O 3.18Å; K190-S213 PolarHBondContact NZ-OG 3.49Å
191P93.9Very high86.8Confident4 Ų456.7 Ų56.73%0.02629%0.286CS..PPolyproline II helixtrans-70.6157175.731.9-36.8000110.7R156 V158 I182 Y183 E189 T193R156-P191 CarbonylContact O-C 3.52Å; R156-P191 VanDerWaalsContact O-CA 3.27Å; R156-P191 WeakPolarHBondContact O-CA 3.48Å; R156-P191 WeakPolarHBondContact O-CB 3.46Å; V158-P191 HydrophobicContact CG2-CB 4.19Å; V158-P191 HydrophobicContact CG2-CG 4.08Å; I182-P191 HydrophobicContact CG2-CG 3.84Å; Y183-P191 HydrophobicContact CD2-CG 4.41Å; Y183-P191 HydrophobicContact CE2-CG 3.75Å; E189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-T193 PolarHBondContact O-N 2.93Å
192Q96.6Very high86.7Confident12 Ų1255 Ų556%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-67.2127.4162.1179.7-173.528.700108.8I43 G46 R47 D48 R156 H157 V158 L194I43-Q192 PolarHBondContact O-NE2 3.36Å; G46-Q192 WeakPolarHBondContact O-CG 3.17Å; R47-Q192 PolarHBondContact O-NE2 3.28Å; D48-Q192 WeakPolarHBondContact OD1-CA 3.26Å; R156-Q192 PolarHBondContact O-N 3.25Å; H157-Q192 CarbonylContact C-O 3.57Å; H157-Q192 WeakPolarHBondContact CA-O 3.29Å; H157-Q192 PolarHBondContact CE1-OE1 3.48Å; H157-Q192 PolarHBondContact ND1-OE1 3.5Å; V158-Q192 PolarHBondContact N-O 2.64Å; Q192-L194 HydrophobicContact CG-CD2 3.99Å; Q192-L194 HydrophobicContact CG-CG 4.37Å
193T97.8Very high86.7Confident0 Ų056.2 Ų56.20%030%0.296CS..EExtended strand (participates in β ladder)trans-117.6124.9-180-65.80000111.3D48 A49 V158 Y183 P191 L212D48-T193 WeakPolarHBondContact CA-O 3.33Å; D48-T193 WeakPolarHBondContact CB-O 3.2Å; D48-T193 PolarHBondContact OD1-N 2.9Å; A49-T193 PolarHBondContact N-O 2.95Å; V158-T193 WeakPolarHBondContact O-CA 3.48Å; Y183-T193 PolarHBondContact OH-OG1 3.32Å; P191-T193 PolarHBondContact O-N 2.93Å; T193-L212 HydrophobicContact CG2-CD1 3.49Å; T193-L212 VanDerWaalsContact CG2-CD1 3.49Å; T193-L212 HydrophobicContact CG2-CG 4.29Å
194L98.4Very high86.7Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-118.2123.5-178.2-49.8177.8000109.8I43 A49 F63 L67 V158 V159 L160 Q192 F196I43-L194 HydrophobicContact CD1-CD1 4.15Å; I43-L194 HydrophobicContact CD1-CD2 4.49Å; I43-L194 HydrophobicContact CG1-CD1 4.2Å; I43-L194 HydrophobicContact CG1-CD2 3.96Å; I43-L194 HydrophobicContact CG2-CD1 3.61Å; I43-L194 HydrophobicContact CG2-CD2 4.34Å; A49-L194 HydrophobicContact CB-CD2 3.97Å; A49-L194 CarbonylContact O-C 3.58Å; A49-L194 WeakPolarHBondContact O-CA 3.41Å; F63-L194 HydrophobicContact CB-CD1 3.93Å; L67-L194 HydrophobicContact CD1-CD1 4.32Å; V158-L194 PolarHBondContact O-N 3.23Å; V159-L194 CarbonylContact C-O 3.51Å; V159-L194 WeakPolarHBondContact CA-O 3.17Å; V159-L194 HydrophobicContact CG1-CB 4.45Å; V159-L194 HydrophobicContact CG2-CB 4.27Å; V159-L194 HydrophobicContact CG2-CD1 4.1Å; L160-L194 PolarHBondContact N-O 3.19Å; Q192-L194 HydrophobicContact CG-CD2 3.99Å; Q192-L194 HydrophobicContact CG-CG 4.37Å; L194-F196 HydrophobicContact CB-CD2 4.39Å; L194-F196 HydrophobicContact CB-CE2 3.84Å
195L97.4Very high87.1Confident0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-114.9119.2-178.1-171.1156.3000109.3A49 V50 V51 V163 V204 I207A49-L195 PolarHBondContact O-N 3.31Å; V50-L195 WeakPolarHBondContact CA-O 3.18Å; V50-L195 HydrophobicContact CG1-CD2 4Å; V50-L195 HydrophobicContact CG2-CB 4.43Å; V51-L195 PolarHBondContact N-O 3.01Å; V163-L195 HydrophobicContact CB-CG 4.38Å; V163-L195 HydrophobicContact CG1-CD1 4.07Å; V163-L195 HydrophobicContact CG1-CD2 3.42Å; V163-L195 VanDerWaalsContact CG1-CD2 3.42Å; V163-L195 HydrophobicContact CG1-CG 3.6Å; L195-V204 HydrophobicContact CD1-CG1 3.96Å; L195-V204 HydrophobicContact CD2-CG1 3.8Å; L195-V204 HydrophobicContact CG-CG1 4.44Å; L195-I207 HydrophobicContact CD1-CG2 4.1Å
196F95.4Very high87.8Confident0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans-115.5123.9176.7-71.2-97.4000109.7I43 V51 K59 A62 F63 V159 L160 D161 E162 V163 L194I43-F196 HydrophobicContact CD1-CZ 4.21Å; V51-F196 HydrophobicContact CB-CD1 3.64Å; V51-F196 HydrophobicContact CB-CE1 3.65Å; V51-F196 HydrophobicContact CB-CG 4.34Å; V51-F196 HydrophobicContact CB-CZ 4.35Å; V51-F196 HydrophobicContact CG1-CD1 3.91Å; V51-F196 HydrophobicContact CG1-CE1 3.84Å; V51-F196 HydrophobicContact CG2-CD1 4.22Å; V51-F196 HydrophobicContact CG2-CE1 3.75Å; V51-F196 HydrophobicContact CG2-CZ 4.01Å; V51-F196 WeakPolarHBondContact O-CA 3.37Å; K59-F196 HydrophobicContact CB-CD1 4.04Å; K59-F196 HydrophobicContact CD-CD1 4.28Å; K59-F196 HydrophobicContact CG-CD1 4.29Å; A62-F196 HydrophobicContact CB-CE1 4.02Å; A62-F196 HydrophobicContact CB-CZ 4.32Å; F63-F196 HydrophobicContact CB-CE2 3.62Å; F63-F196 HydrophobicContact CB-CZ 3.81Å; F63-F196 HydrophobicContact CD1-CD1 4.47Å; F63-F196 AromaticContact CD1-CD2 3.73Å; F63-F196 HydrophobicContact CD1-CD2 3.73Å; F63-F196 HydrophobicContact CD1-CE1 4.28Å; F63-F196 AromaticContact CD1-CE2 3.52Å; F63-F196 HydrophobicContact CD1-CE2 3.52Å; F63-F196 HydrophobicContact CD1-CG 4.21Å; F63-F196 AromaticContact CD1-CZ 3.82Å; F63-F196 HydrophobicContact CD1-CZ 3.82Å; F63-F196 HydrophobicContact CE1-CD2 4.36Å; F63-F196 AromaticContact CG-CE2 3.97Å; F63-F196 HydrophobicContact CG-CE2 3.97Å; F63-F196 HydrophobicContact CG-CZ 4.32Å; V159-F196 HydrophobicContact CG1-CD2 4.13Å; V159-F196 HydrophobicContact CG1-CE2 4.41Å; L160-F196 PolarHBondContact O-N 2.77Å; D161-F196 WeakPolarHBondContact OD1-CB 3.35Å; E162-F196 PolarHBondContact N-O 2.98Å; V163-F196 PolarHBondContact N-O 3.06Å; L194-F196 HydrophobicContact CB-CD2 4.39Å; L194-F196 HydrophobicContact CB-CE2 3.84Å
197S90.4Very high88.9Confident0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-145159.3-174.6-155.70000111.5V51 L52 A53 D164 T199V51-S197 PolarHBondContact O-N 3.44Å; L52-S197 WeakPolarHBondContact CA-O 3.08Å; A53-S197 PolarHBondContact N-O 3.31Å; A53-S197 VanDerWaalsContact N-O 3.11Å; D164-S197 VanDerWaalsContact CB-OG 3.3Å; D164-S197 WeakPolarHBondContact CB-OG 3.42Å; D164-S197 PolarHBondContact OD1-OG 3.4Å; D164-S197 PolarHBondContact OD2-OG 3.33Å; D164-S197 VanDerWaalsContact OD2-OG 3.04Å; S197-T199 WeakPolarHBondContact CB-O 3.45Å; S197-T199 PolarHBondContact OG-O 2.98Å
198A81.8Confident90.2Very high16 Ų1635.8 Ų35.813%0.13220%0.196CC..SBendtrans-90.7-32.5166.900000110.7D164 I222D164-A198 WeakPolarHBondContact OD2-CA 3.36Å; D164-A198 WeakPolarHBondContact OD2-CB 3.44Å; D164-A198 PolarHBondContact OD2-N 3.34Å; A198-I222 WeakPolarHBondContact O-CD1 3.21Å
199T80.5Confident91.5Very high28 Ų2842.6 Ų42.617%0.17222%0.217CC..  trans-130.1172.2178.7680000112.2D164 S197 P201 E342D164-T199 PolarHBondContact OD2-N 3.11Å; D164-T199 PolarHBondContact OD2-OG1 2.94Å; S197-T199 WeakPolarHBondContact CB-O 3.45Å; S197-T199 PolarHBondContact OG-O 2.98Å; T199-P201 VanDerWaalsContact C-CD 3.48Å; T199-E342 WeakPolarHBondContact CB-OE1 3.32Å; T199-E342 HydrophobicContact CG2-CG 3.92Å; T199-E342 WeakPolarHBondContact CG2-OE1 3.28Å; T199-E342 PolarHBondContact OG1-OE1 2.86Å
200M87.2Confident91.9Very high63 Ų6338 Ų3831%0.3120%0.202SC..  trans-127.768.6-178.8-165.977.87900110.7V50 L52 V204 S205V50-M200 HydrophobicContact CG1-CE 3.3Å; V50-M200 HydrophobicContact CG1-SD 4.45Å; L52-M200 HydrophobicContact CD1-CB 4.24Å; L52-M200 HydrophobicContact CD1-CE 3.87Å; L52-M200 HydrophobicContact CD2-CB 4.46Å; L52-M200 HydrophobicContact CD2-CE 3.78Å; L52-M200 HydrophobicContact CG-CE 3.97Å; M200-V204 HydrophobicContact SD-CB 4.23Å; M200-V204 HydrophobicContact SD-CG1 3.57Å; M200-V204 VanDerWaalsContact SD-CG1 3.57Å; M200-S205 VanDerWaalsContact CG-OG 3.26Å; M200-S205 WeakPolarHBondContact CG-OG 3.37Å
201P83.2Confident92.1Very high38 Ų3834.8 Ų34.825%0.24719%0.188CC..  trans-67.4163.7172.530.6-35.5000110.7D164 L167 T199 W203 V204 S205D164-P201 HydrophobicContact CB-CG 4.38Å; L167-P201 HydrophobicContact CD2-CB 4.17Å; L167-P201 HydrophobicContact CD2-CG 3.91Å; T199-P201 VanDerWaalsContact C-CD 3.48Å; P201-W203 VanDerWaalsContact C-N 3.27Å; P201-W203 PolarHBondContact O-N 2.85Å; P201-W203 VanDerWaalsContact O-N 3.13Å; P201-V204 HydrophobicContact CG-CB 4.08Å; P201-V204 HydrophobicContact CG-CG2 3.58Å; P201-V204 WeakPolarHBondContact O-CB 3.48Å; P201-V204 PolarHBondContact O-N 3.03Å; P201-S205 PolarHBondContact O-N 3.44Å
202S90.2Very high92.2Very high104 Ų10435.2 Ų35.273%0.72719%0.19SC*.Hα-helixtrans-51.6-41.9-173.354.60000113.9S205 E206S202-S205 WeakPolarHBondContact O-CB 3.31Å; S202-S205 PolarHBondContact O-N 3.49Å; S202-E206 WeakPolarHBondContact O-CB 3.12Å; S202-E206 PolarHBondContact O-N 3.23Å
203W93.1Very high92Very high29 Ų2936.6 Ų36.611%0.1120%0.201CC..Hα-helixtrans-66.2-37.1177.7176.982.6000112.9V163 L167 S172 V175 E176 P201 S205 E206 I207V163-W203 HydrophobicContact CG2-CH2 4Å; V163-W203 HydrophobicContact CG2-CZ3 3.58Å; V163-W203 WeakPolarHBondContact O-CZ3 3.38Å; L167-W203 HydrophobicContact CB-CD2 4.29Å; L167-W203 HydrophobicContact CB-CE3 3.61Å; L167-W203 HydrophobicContact CB-CZ3 3.91Å; L167-W203 HydrophobicContact CD1-CB 3.89Å; L167-W203 HydrophobicContact CD1-CD2 3.89Å; L167-W203 HydrophobicContact CD1-CE3 4.09Å; L167-W203 HydrophobicContact CD1-CG 3.8Å; L167-W203 HydrophobicContact CD2-CB 3.89Å; L167-W203 HydrophobicContact CD2-CE3 4.3Å; L167-W203 HydrophobicContact CG-CB 4.45Å; L167-W203 HydrophobicContact CG-CD2 4.49Å; L167-W203 HydrophobicContact CG-CE3 4.2Å; S172-W203 VanDerWaalsContact CA-CZ2 3.46Å; V175-W203 HydrophobicContact CB-CH2 4.2Å; V175-W203 HydrophobicContact CB-CZ2 4.24Å; V175-W203 HydrophobicContact CG1-CH2 4.14Å; V175-W203 HydrophobicContact CG1-CZ2 4.3Å; V175-W203 HydrophobicContact CG2-CH2 4.47Å; E176-W203 PolarHBondContact OE1-NE1 3.3Å; P201-W203 VanDerWaalsContact C-N 3.27Å; P201-W203 PolarHBondContact O-N 2.85Å; P201-W203 VanDerWaalsContact O-N 3.13Å; W203-S205 VanDerWaalsContact C-N 3.35Å; W203-E206 WeakPolarHBondContact O-CB 3.45Å; W203-E206 PolarHBondContact O-N 2.82Å; W203-I207 HydrophobicContact CD2-CG1 4Å; W203-I207 HydrophobicContact CE3-CG1 4.3Å; W203-I207 HydrophobicContact CH2-CD1 4.5Å; W203-I207 HydrophobicContact CH2-CG1 4.01Å; W203-I207 HydrophobicContact CZ2-CD1 3.78Å; W203-I207 HydrophobicContact CZ2-CG1 3.61Å; W203-I207 HydrophobicContact CZ3-CG1 4.33Å; W203-I207 WeakPolarHBondContact O-CG1 3.33Å; W203-I207 PolarHBondContact O-N 2.88Å
204V92Very high91.7Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-67.7-39.6175.91780000110.3V163 D164 L195 M200 P201 E206 I207 S208V163-V204 HydrophobicContact CG1-CB 4.45Å; V163-V204 HydrophobicContact CG1-CG1 3.57Å; V163-V204 HydrophobicContact CG1-CG2 3.95Å; V163-V204 HydrophobicContact CG2-CG2 4.29Å; D164-V204 HydrophobicContact CB-CG2 4.36Å; L195-V204 HydrophobicContact CD1-CG1 3.96Å; L195-V204 HydrophobicContact CD2-CG1 3.8Å; L195-V204 HydrophobicContact CG-CG1 4.44Å; M200-V204 HydrophobicContact SD-CB 4.23Å; M200-V204 HydrophobicContact SD-CG1 3.57Å; M200-V204 VanDerWaalsContact SD-CG1 3.57Å; P201-V204 HydrophobicContact CG-CB 4.08Å; P201-V204 HydrophobicContact CG-CG2 3.58Å; P201-V204 WeakPolarHBondContact O-CB 3.48Å; P201-V204 PolarHBondContact O-N 3.03Å; V204-E206 VanDerWaalsContact C-N 3.3Å; V204-E206 PolarHBondContact O-N 2.87Å; V204-I207 PolarHBondContact O-N 3.03Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.4Å
205S93.5Very high91.5Very high54 Ų5449.5 Ų49.538%0.37827%0.27SS..Hα-helixtrans-60.9-39.4171.4-57.10000112.2M200 P201 S202 W203 S208 R209M200-S205 VanDerWaalsContact CG-OG 3.26Å; M200-S205 WeakPolarHBondContact CG-OG 3.37Å; P201-S205 PolarHBondContact O-N 3.44Å; S202-S205 WeakPolarHBondContact O-CB 3.31Å; S202-S205 PolarHBondContact O-N 3.49Å; W203-S205 VanDerWaalsContact C-N 3.35Å; S205-S208 WeakPolarHBondContact O-CB 3.04Å; S205-S208 PolarHBondContact O-N 3.04Å; S205-R209 WeakPolarHBondContact O-CB 3.41Å; S205-R209 PolarHBondContact O-N 3.31Å
206E94.1Very high91.4Very high80 Ų8050 Ų5037%0.37427%0.273SS..Hα-helixtrans-64.6-48.2176.8-16966.5-148.300111.2S202 W203 V204 S208 R209 C210S202-E206 WeakPolarHBondContact O-CB 3.12Å; S202-E206 PolarHBondContact O-N 3.23Å; W203-E206 WeakPolarHBondContact O-CB 3.45Å; W203-E206 PolarHBondContact O-N 2.82Å; V204-E206 VanDerWaalsContact C-N 3.3Å; V204-E206 PolarHBondContact O-N 2.87Å; E206-S208 VanDerWaalsContact C-N 3.29Å; E206-S208 PolarHBondContact O-N 3.18Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 VanDerWaalsContact O-N 3.12Å; E206-R209 IonicContact OE1-CZ 3.48Å; E206-R209 IonicContact OE1-NE 2.97Å; E206-R209 IonicContact OE1-NH2 3.92Å; E206-R209 PolarHBondContact OE1-NH2 2.97Å; E206-R209 IonicContact OE2-CZ 3.44Å; E206-R209 IonicContact OE2-NE 3.54Å; E206-R209 IonicContact OE2-NH2 3.31Å; E206-R209 PolarHBondContact OE2-NH2 3.25Å; E206-C210 WeakPolarHBondContact O-CB 3.49Å; E206-C210 PolarHBondContact O-N 2.93Å; E206-C210 PolarHBondContact O-SG 3.44Å; E206-C210 VanDerWaalsContact O-SG 3.34Å
207I93.9Very high91.4Very high4 Ų451.9 Ų51.92%0.02128%0.283CS..Hα-helixtrans-57.3-44.2173.9-68.3-63.4000110.7L160 E176 L179 L195 W203 V204 R209 C210 Y211L160-I207 HydrophobicContact CD1-CG2 3.72Å; E176-I207 HydrophobicContact CG-CD1 3.97Å; L179-I207 HydrophobicContact CD1-CD1 4.29Å; L179-I207 HydrophobicContact CD1-CG2 4.3Å; L195-I207 HydrophobicContact CD1-CG2 4.1Å; W203-I207 HydrophobicContact CD2-CG1 4Å; W203-I207 HydrophobicContact CE3-CG1 4.3Å; W203-I207 HydrophobicContact CH2-CD1 4.5Å; W203-I207 HydrophobicContact CH2-CG1 4.01Å; W203-I207 HydrophobicContact CZ2-CD1 3.78Å; W203-I207 HydrophobicContact CZ2-CG1 3.61Å; W203-I207 HydrophobicContact CZ3-CG1 4.33Å; W203-I207 WeakPolarHBondContact O-CG1 3.33Å; W203-I207 PolarHBondContact O-N 2.88Å; V204-I207 PolarHBondContact O-N 3.03Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.22Å; I207-C210 PolarHBondContact O-N 3.49Å; I207-Y211 HydrophobicContact CD1-CD2 4.19Å; I207-Y211 HydrophobicContact CD1-CE2 3.81Å; I207-Y211 HydrophobicContact CG2-CD2 4.14Å; I207-Y211 WeakPolarHBondContact O-CD2 3.3Å; I207-Y211 PolarHBondContact O-N 3.27Å; I207-Y211 VanDerWaalsContact O-N 3.16Å
208S94Very high91.6Very high12 Ų1257.8 Ų57.88%0.08431%0.311CS..Hα-helixtrans-56.6-48.9175.4-176.10000111.1V50 V204 S205 E206 L212V50-S208 VanDerWaalsContact CG2-OG 3.28Å; V50-S208 WeakPolarHBondContact CG2-OG 3.4Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.4Å; S205-S208 WeakPolarHBondContact O-CB 3.04Å; S205-S208 PolarHBondContact O-N 3.04Å; E206-S208 VanDerWaalsContact C-N 3.29Å; E206-S208 PolarHBondContact O-N 3.18Å; S208-L212 WeakPolarHBondContact O-CB 3.41Å; S208-L212 PolarHBondContact O-N 3.19Å; S208-L212 VanDerWaalsContact O-N 3.12Å
209R94Very high92.1Very high178 Ų17858.3 Ų58.367%0.67231%0.311SS*.Hα-helixtrans-67.5-36.9-177.9-175.2179.368.5179.90.5113.1S205 E206 I207S205-R209 WeakPolarHBondContact O-CB 3.41Å; S205-R209 PolarHBondContact O-N 3.31Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 VanDerWaalsContact O-N 3.12Å; E206-R209 IonicContact OE1-CZ 3.48Å; E206-R209 IonicContact OE1-NE 2.97Å; E206-R209 IonicContact OE1-NH2 3.92Å; E206-R209 PolarHBondContact OE1-NH2 2.97Å; E206-R209 IonicContact OE2-CZ 3.44Å; E206-R209 IonicContact OE2-NE 3.54Å; E206-R209 IonicContact OE2-NH2 3.31Å; E206-R209 PolarHBondContact OE2-NH2 3.25Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.22Å
210C93.3Very high92.6Very high73 Ų7359.8 Ų59.849%0.49332%0.323SS..Hα-helixtrans-78-30.6-175.4-71.50000113.7E206 I207E206-C210 WeakPolarHBondContact O-CB 3.49Å; E206-C210 PolarHBondContact O-N 2.93Å; E206-C210 PolarHBondContact O-SG 3.44Å; E206-C210 VanDerWaalsContact O-SG 3.34Å; I207-C210 PolarHBondContact O-N 3.49Å
211Y94.4Very high92.4Very high35 Ų3558.9 Ų58.914%0.13732%0.319CS..Hα-helixtrans-118.6-22.6-167.2-64.4-73.3000114.5L179 Y183 K190 I207L179-Y211 HydrophobicContact CB-CD1 4.13Å; L179-Y211 HydrophobicContact CB-CE1 3.6Å; L179-Y211 HydrophobicContact CB-CE2 4.11Å; L179-Y211 HydrophobicContact CD1-CD1 4.48Å; L179-Y211 HydrophobicContact CD1-CD2 3.68Å; L179-Y211 HydrophobicContact CD1-CE1 4.43Å; L179-Y211 HydrophobicContact CD1-CE2 3.62Å; L179-Y211 HydrophobicContact CD1-CG 4.13Å; Y183-Y211 AromaticContact CD1-CD1 3.98Å; Y183-Y211 HydrophobicContact CD1-CD1 3.98Å; Y183-Y211 AromaticContact CD2-CD1 3.63Å; Y183-Y211 HydrophobicContact CD2-CD1 3.63Å; Y183-Y211 HydrophobicContact CD2-CE1 4.03Å; Y183-Y211 AromaticContact CE1-CD1 3.96Å; Y183-Y211 HydrophobicContact CE1-CD1 3.96Å; Y183-Y211 WeakPolarHBondContact CE1-O 3.45Å; Y183-Y211 AromaticContact CE2-CD1 3.64Å; Y183-Y211 HydrophobicContact CE2-CD1 3.64Å; Y183-Y211 HydrophobicContact CE2-CE1 4.44Å; Y183-Y211 HydrophobicContact CE2-CG 4.36Å; Y183-Y211 AromaticContact CG-CD1 3.81Å; Y183-Y211 HydrophobicContact CG-CD1 3.81Å; Y183-Y211 HydrophobicContact CG-CE1 4.12Å; Y183-Y211 AromaticContact CZ-CD1 3.79Å; Y183-Y211 PolarHBondContact OH-O 2.92Å; K190-Y211 WeakPolarHBondContact CE-O 3.18Å; I207-Y211 HydrophobicContact CD1-CD2 4.19Å; I207-Y211 HydrophobicContact CD1-CE2 3.81Å; I207-Y211 HydrophobicContact CG2-CD2 4.14Å; I207-Y211 WeakPolarHBondContact O-CD2 3.3Å; I207-Y211 PolarHBondContact O-N 3.27Å; I207-Y211 VanDerWaalsContact O-N 3.16Å
212L94.4Very high91.9Very high14 Ų1458.1 Ų58.17%0.07331%0.313CS..SBendtrans-91.6153.6178.2-73.861000111D48 V50 T193 S208 A216D48-L212 HydrophobicContact CB-CB 4.1Å; D48-L212 HydrophobicContact CB-CD2 4.32Å; D48-L212 HydrophobicContact CB-CG 3.97Å; D48-L212 VanDerWaalsContact OD2-CA 3.29Å; D48-L212 WeakPolarHBondContact OD2-CA 3.27Å; V50-L212 HydrophobicContact CG2-CD2 3.25Å; T193-L212 HydrophobicContact CG2-CD1 3.49Å; T193-L212 VanDerWaalsContact CG2-CD1 3.49Å; T193-L212 HydrophobicContact CG2-CG 4.29Å; S208-L212 WeakPolarHBondContact O-CB 3.41Å; S208-L212 PolarHBondContact O-N 3.19Å; S208-L212 VanDerWaalsContact O-N 3.12Å; L212-A216 HydrophobicContact CB-CB 4.09Å; L212-A216 HydrophobicContact CD2-CB 4.15Å
213S93.7Very high90.7Very high41 Ų4157.7 Ų57.729%0.28730%0.302SS..  trans-65.7153.7171.1-65.60000111.7D48 K190 D215 A216D48-S213 PolarHBondContact OD2-N 2.89Å; D48-S213 PolarHBondContact OD2-OG 3.25Å; K190-S213 PolarHBondContact NZ-OG 3.49Å; S213-D215 WeakPolarHBondContact CB-OD1 3.39Å; S213-D215 PolarHBondContact O-N 2.9Å; S213-A216 WeakPolarHBondContact O-CB 3.35Å; S213-A216 PolarHBondContact O-N 3.13Å
214D92Very high88.9Confident180 Ų18065.6 Ų65.696%0.96334%0.34SS*.THydrogen-bonded Turntrans-60.2-26.5175.2-65-35.5000113.5A216D214-A216 VanDerWaalsContact C-N 3.33Å
215D93.1Very high86.7Confident91 Ų9174.9 Ų74.949%0.48738%0.384SS..THydrogen-bonded Turntrans-9213178.576.6-44.4000113.8S213S213-D215 WeakPolarHBondContact CB-OD1 3.39Å; S213-D215 PolarHBondContact O-N 2.9Å
216A95Very high84.7Confident9 Ų977.5 Ų77.57%0.07439%0.39CS..  trans-56.4142.7178.400000112D48 L212 S213 D214 H218D48-A216 HydrophobicContact CB-CB 3.73Å; D48-A216 WeakPolarHBondContact O-CA 3.35Å; L212-A216 HydrophobicContact CB-CB 4.09Å; L212-A216 HydrophobicContact CD2-CB 4.15Å; S213-A216 WeakPolarHBondContact O-CB 3.35Å; S213-A216 PolarHBondContact O-N 3.13Å; D214-A216 VanDerWaalsContact C-N 3.33Å; A216-H218 PolarHBondContact O-CD2 3.48Å; A216-H218 PolarHBondContact O-N 3.43Å
217L95.8Very high82.9Confident40 Ų4075.8 Ų75.821%0.20939%0.385CS..EExtended strand (participates in β ladder)trans-69.8119172.4173.774.7000109.7T39 I42 D48 A49 V50 L219T39-L217 HydrophobicContact CG2-CD2 4.26Å; I42-L217 HydrophobicContact CB-CD2 4.12Å; I42-L217 HydrophobicContact CG1-CD2 3.93Å; I42-L217 HydrophobicContact CG2-CB 3.74Å; I42-L217 HydrophobicContact CG2-CD2 3.99Å; I42-L217 HydrophobicContact CG2-CG 4.43Å; D48-L217 PolarHBondContact O-N 2.87Å; A49-L217 CarbonylContact C-O 3.59Å; A49-L217 WeakPolarHBondContact CA-O 3.49Å; A49-L217 HydrophobicContact CB-CB 4.19Å; A49-L217 HydrophobicContact CB-CD2 4.48Å; V50-L217 PolarHBondContact N-O 3.33Å; L217-L219 HydrophobicContact CD2-CB 4.15Å; L217-L219 HydrophobicContact CG-CB 4.21Å
218H94.5Very high81.5Confident125 Ų12579.2 Ų79.258%0.57940%0.4SS*.EExtended strand (participates in β ladder)trans-98.3102.7166.1-71.6-95000109.7A216A216-H218 PolarHBondContact O-CD2 3.48Å; A216-H218 PolarHBondContact O-N 3.43Å
219L93Very high80.2Confident26 Ų2678.8 Ų78.814%0.13640%0.396CS..EExtended strand (participates in β ladder)trans-110.6113.5177.8179.265.9000110K38 T39 V50 V51 L52 L217 L221K38-L219 HydrophobicContact CB-CD2 3.83Å; K38-L219 HydrophobicContact CD-CD1 4.1Å; K38-L219 HydrophobicContact CD-CD2 4.38Å; T39-L219 HydrophobicContact CG2-CD2 3.56Å; V50-L219 PolarHBondContact O-N 3.23Å; V51-L219 WeakPolarHBondContact CA-O 3.47Å; V51-L219 HydrophobicContact CG1-CD2 4.38Å; L52-L219 PolarHBondContact N-O 2.87Å; L217-L219 HydrophobicContact CD2-CB 4.15Å; L217-L219 HydrophobicContact CG-CB 4.21Å; L219-L221 HydrophobicContact CD1-CD2 4.04Å; L219-L221 HydrophobicContact CD1-CG 4.4Å; L219-L221 HydrophobicContact CD2-CD1 4.34Å; L219-L221 HydrophobicContact CD2-CG 4.28Å; L219-L221 HydrophobicContact CG-CD2 4.34Å; L219-L221 HydrophobicContact CG-CG 4.17Å
220S90.2Very high79Confident59 Ų5971.7 Ų71.741%0.41337%0.374SS..EExtended strand (participates in β ladder)trans-102.4123.8163.6-169.70000110.1I222S220-I222 PolarHBondContact OG-N 3.39Å; S220-I222 PolarHBondContact OG-O 3.02Å
221L83.2Confident78.1Confident44 Ų4473.6 Ų73.623%0.2338%0.384CS..  trans-104.617.6166.7-61.4175.9000111.2V35 K38 L52 A53 L219V35-L221 HydrophobicContact CB-CD1 3.51Å; V35-L221 HydrophobicContact CG2-CD1 3.86Å; K38-L221 HydrophobicContact CD-CD2 3.83Å; L52-L221 PolarHBondContact O-N 3.35Å; A53-L221 HydrophobicContact CB-CB 4.31Å; A53-L221 HydrophobicContact CB-CD1 4.3Å; L219-L221 HydrophobicContact CD1-CD2 4.04Å; L219-L221 HydrophobicContact CD1-CG 4.4Å; L219-L221 HydrophobicContact CD2-CD1 4.34Å; L219-L221 HydrophobicContact CD2-CG 4.28Å; L219-L221 HydrophobicContact CG-CD2 4.34Å; L219-L221 HydrophobicContact CG-CG 4.17Å
222I73.4Confident77.7Confident23 Ų2375 Ų7512%0.11839%0.394CS..SBendtrans-117.899.1176.5-53.3173.1000105.3L52 R54 A198 S220 K228L52-I222 HydrophobicContact CB-CD1 4.32Å; R54-I222 HydrophobicContact CG-CD1 4.41Å; R54-I222 HydrophobicContact CG-CG1 4.06Å; A198-I222 WeakPolarHBondContact O-CD1 3.21Å; S220-I222 PolarHBondContact OG-N 3.39Å; S220-I222 PolarHBondContact OG-O 3.02Å; I222-K228 HydrophobicContact CG2-CG 4.26Å
223D63.7Low77.5Confident94 Ų9474.8 Ų74.850%0.50339%0.393SS..  trans-67.6138.3170.8-74.6-19.9000109.1Q225 E226D223-Q225 PolarHBondContact O-N 2.91Å; D223-E226 HydrophobicContact CB-CB 3.96Å; D223-E226 HydrophobicContact CB-CG 3.88Å; D223-E226 PolarHBondContact O-N 2.82Å; D223-E226 VanDerWaalsContact O-N 3.14Å
224E56.3Low77.5Confident196 Ų19676 Ų7692%0.91640%0.399SS*.THydrogen-bonded Turntrans-60.9-26.6-179.7-68-173.1161.600112.8
225Q46.1Very low77.7Confident195 Ų19568.3 Ų68.391%0.91136%0.357SS*.THydrogen-bonded Turntrans-92.8-17178.2-62.5-157.3-1.400114D223D223-Q225 PolarHBondContact O-N 2.91Å
226E50.5Low78Confident108 Ų10864 Ų6451%0.50533%0.334SS..SBendtrans-88144.1178.8-71.6-165.8159.800111.9R54 D223 K228R54-E226 IonicContact NH2-OE2 3.94Å; R54-E226 PolarHBondContact NH2-OE2 2.85Å; D223-E226 HydrophobicContact CB-CB 3.96Å; D223-E226 HydrophobicContact CB-CG 3.88Å; D223-E226 PolarHBondContact O-N 2.82Å; D223-E226 VanDerWaalsContact O-N 3.14Å; E226-K228 PolarHBondContact O-N 3.49Å
227T55.8Low78.1Confident44 Ų4463.6 Ų63.627%0.2733%0.33SS..  trans-47.8121.6-180-44.70000111.7R54 T229 A379 G380 I381R54-T227 PolarHBondContact NE-O 2.91Å; R54-T227 PolarHBondContact NH1-O 3.17Å; R54-T227 PolarHBondContact NH2-O 3.48Å; T227-T229 WeakPolarHBondContact CG2-OG1 3.33Å; T227-T229 PolarHBondContact O-N 3.4Å; T227-A379 WeakPolarHBondContact CA-O 3.39Å; T227-A379 WeakPolarHBondContact CG2-O 3.32Å; T227-G380 WeakPolarHBondContact CG2-O 3.43Å; T227-G380 PolarHBondContact OG1-O 2.93Å; T227-I381 HydrophobicContact CG2-CB 4.48Å; T227-I381 HydrophobicContact CG2-CG2 3.22Å
228K65.3Low78.2Confident76 Ų7661.7 Ų61.733%0.3332%0.321SS..SBendtrans-69.2-8.5-177.5-64.9179.6-179.7176.80114.2R54 I222 E226 I345 A379R54-K228 WeakPolarHBondContact CD-O 3.26Å; I222-K228 HydrophobicContact CG2-CG 4.26Å; E226-K228 PolarHBondContact O-N 3.49Å; K228-I345 HydrophobicContact CB-CD1 3.41Å; K228-I345 VanDerWaalsContact CB-CD1 3.41Å; K228-I345 HydrophobicContact CB-CG1 4.03Å; K228-I345 HydrophobicContact CD-CD1 3.94Å; K228-I345 HydrophobicContact CG-CD1 4.31Å; K228-I345 VanDerWaalsContact O-CG2 3.27Å; K228-I345 WeakPolarHBondContact O-CG2 3.29Å; K228-A379 PolarHBondContact N-O 2.95Å; K228-A379 VanDerWaalsContact N-O 3.09Å
229T67.3Low78.4Confident3 Ų358.6 Ų58.62%0.01831%0.308CS..SBendtrans-88.7170.6176.264.10000111.9R54 T227 H235 Y344 I345 A379 I381R54-T229 PolarHBondContact NH1-O 3.05Å; T227-T229 WeakPolarHBondContact CG2-OG1 3.33Å; T227-T229 PolarHBondContact O-N 3.4Å; T229-H235 PolarHBondContact OG1-NE2 2.69Å; T229-Y344 HydrophobicContact CG2-CD1 4.27Å; T229-Y344 HydrophobicContact CG2-CE1 4.05Å; T229-I345 HydrophobicContact CG2-CG1 3.96Å; T229-A379 HydrophobicContact CG2-CB 4.4Å; T229-I381 HydrophobicContact CG2-CG2 4.14Å; T229-I381 WeakPolarHBondContact OG1-CG2 3.5Å
230S69.1Low78.6Confident29 Ų2957.4 Ų57.420%0.20330%0.302CS..  trans-68.3133.4169.5170.80000109.6N232 V233 G352S230-N232 PolarHBondContact O-N 3.46Å; S230-N232 PolarHBondContact OG-N 3.05Å; S230-V233 PolarHBondContact O-N 2.69Å; S230-G352 PolarHBondContact OG-O 3.06Å
231T74.4Confident78.7Confident113 Ų11357.7 Ų57.769%0.69330%0.302SS*.THydrogen-bonded Turntrans-65-21.4178.448.80000112.7V233T231-V233 PolarHBondContact O-N 3.31Å
232N85.2Confident79.1Confident65 Ų6560.6 Ų60.635%0.34831%0.311SS..THydrogen-bonded Turntrans-859.3179.4-70-15.5000113.3S230 A354 R356 S357 G358S230-N232 PolarHBondContact O-N 3.46Å; S230-N232 PolarHBondContact OG-N 3.05Å; N232-A354 PolarHBondContact ND2-O 2.78Å; N232-A354 VanDerWaalsContact ND2-O 3.1Å; N232-R356 WeakPolarHBondContact CB-O 3.27Å; N232-S357 CarbonylContact O-C 3.53Å; N232-S357 WeakPolarHBondContact O-CA 3.45Å; N232-G358 PolarHBondContact O-N 3.01Å
233V90Very high80Confident10 Ų1067 Ų676%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-104.9120.8179.6-177.10000110.8S230 T231 H235 T351 G358S230-V233 PolarHBondContact O-N 2.69Å; T231-V233 PolarHBondContact O-N 3.31Å; V233-H235 PolarHBondContact O-CD2 2.97Å; V233-H235 VanDerWaalsContact O-CD2 3.28Å; V233-T351 HydrophobicContact CG1-CG2 4.03Å; V233-T351 HydrophobicContact CG2-CG2 4.18Å; V233-T351 WeakPolarHBondContact CG2-O 3.28Å; V233-G358 CarbonylContact C-O 3.55Å; V233-G358 WeakPolarHBondContact CA-O 3.32Å
234T94.5Very high81.4Confident66 Ų6665.4 Ų65.441%0.40534%0.336SS..EExtended strand (participates in β ladder)trans-79.1122168.9-60.30000109.5L236 G358 S360T234-L236 HydrophobicContact CG2-CD2 3.78Å; T234-L236 HydrophobicContact CG2-CG 4.16Å; T234-G358 PolarHBondContact N-O 3.49Å; T234-S360 PolarHBondContact O-N 3.22Å
235H96.3Very high83.1Confident18 Ų1856.2 Ų56.28%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-101.6115.3-177.6-61.6-71.2000111.5T229 V233 Y344 I381 F383 R384T229-H235 PolarHBondContact OG1-NE2 2.69Å; V233-H235 PolarHBondContact O-CD2 2.97Å; V233-H235 VanDerWaalsContact O-CD2 3.28Å; H235-Y344 AromaticContact CE1-CE1 4Å; H235-Y344 AromaticContact ND1-CE1 3.94Å; H235-Y344 AromaticContact ND1-CZ 3.72Å; H235-Y344 PolarHBondContact ND1-OH 3.29Å; H235-I381 HydrophobicContact CB-CD1 4.05Å; H235-F383 HydrophobicContact CB-CD1 4.02Å; H235-F383 HydrophobicContact CB-CE1 4.24Å; H235-R384 PolarHBondContact O-N 3.37Å
236L98Very high85.4Confident1 Ų148 Ų481%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-118.3151.8-178.7-50.8-179.5000110.9T234 Y256 T359 S360 I361 C362 F383 R384 I386T234-L236 HydrophobicContact CG2-CD2 3.78Å; T234-L236 HydrophobicContact CG2-CG 4.16Å; L236-Y256 HydrophobicContact CD1-CE1 3.56Å; L236-T359 HydrophobicContact CD1-CG2 3.69Å; L236-T359 HydrophobicContact CG-CG2 4.15Å; L236-S360 PolarHBondContact N-O 2.63Å; L236-I361 HydrophobicContact CB-CB 4.5Å; L236-I361 HydrophobicContact CB-CG1 4.11Å; L236-I361 HydrophobicContact CB-CG2 4.33Å; L236-I361 HydrophobicContact CD1-CD1 4.18Å; L236-I361 HydrophobicContact CD1-CG1 4.13Å; L236-I361 HydrophobicContact CG-CG1 4.49Å; L236-I361 CarbonylContact O-C 3.6Å; L236-I361 WeakPolarHBondContact O-CA 3.06Å; L236-C362 PolarHBondContact O-N 3.44Å; L236-F383 WeakPolarHBondContact O-CD1 3.33Å; L236-R384 VanDerWaalsContact CA-O 3.32Å; L236-R384 WeakPolarHBondContact CA-O 3.41Å; L236-R384 HydrophobicContact CD2-CB 3.76Å; L236-R384 HydrophobicContact CD2-CG 4.45Å; L236-I386 HydrophobicContact CB-CD1 4.15Å; L236-I386 HydrophobicContact CB-CG1 4.43Å; L236-I386 HydrophobicContact CD1-CD1 4.06Å; L236-I386 HydrophobicContact CD1-CG2 4.49Å; L236-I386 HydrophobicContact CD2-CG2 4.32Å
237A98.2Very high87.3Confident0 Ų045.2 Ų45.20%025%0.254CS..EExtended strand (participates in β ladder)trans-129.9134174.500000111.3C362 Y364 L372 F383 R384 R385 I386A237-C362 VanDerWaalsContact CA-O 3.31Å; A237-C362 WeakPolarHBondContact CA-O 3.25Å; A237-Y364 HydrophobicContact CB-CD1 4.13Å; A237-Y364 HydrophobicContact CB-CE1 3.86Å; A237-L372 HydrophobicContact CB-CD1 4.39Å; A237-L372 HydrophobicContact CB-CD2 3.62Å; A237-F383 HydrophobicContact CB-CB 3.72Å; A237-F383 HydrophobicContact CB-CD1 3.98Å; A237-F383 HydrophobicContact CB-CG 3.91Å; A237-R384 PolarHBondContact N-O 2.89Å; A237-R385 WeakPolarHBondContact O-CA 3.47Å; A237-I386 PolarHBondContact O-N 3.27Å
238L98.2Very high89.2Confident1 Ų143.9 Ų43.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-127.6121.8-175.4-169.1158.6000109.8C240 T248 V252 I361 C362 F363 Y364 I386L238-C240 HydrophobicContact CD2-CB 3.67Å; L238-C240 PolarHBondContact O-N 2.86Å; L238-T248 HydrophobicContact CD1-CG2 4.26Å; L238-T248 HydrophobicContact CD2-CG2 3.79Å; L238-V252 HydrophobicContact CD1-CG2 3.71Å; L238-I361 HydrophobicContact CB-CG2 4.11Å; L238-C362 PolarHBondContact N-O 3.1Å; L238-F363 HydrophobicContact CB-CD1 3.91Å; L238-F363 HydrophobicContact CB-CE1 4.08Å; L238-F363 HydrophobicContact CD1-CE1 3.97Å; L238-F363 HydrophobicContact CD1-CZ 4.44Å; L238-F363 HydrophobicContact CD2-CD1 4.28Å; L238-F363 HydrophobicContact CD2-CE1 4.18Å; L238-F363 HydrophobicContact CD2-CZ 4.44Å; L238-F363 HydrophobicContact CG-CE1 4.32Å; L238-F363 VanDerWaalsContact O-CA 3.28Å; L238-F363 WeakPolarHBondContact O-CA 3.24Å; L238-Y364 VanDerWaalsContact C-CE1 3.4Å; L238-Y364 VanDerWaalsContact O-CD1 3.29Å; L238-Y364 WeakPolarHBondContact O-CD1 3.42Å; L238-Y364 PolarHBondContact O-N 3.48Å; L238-I386 HydrophobicContact CB-CD1 4.39Å; L238-I386 HydrophobicContact CB-CG1 4.02Å; L238-I386 HydrophobicContact CD1-CD1 4.02Å; L238-I386 HydrophobicContact CD1-CG1 4.22Å; L238-I386 HydrophobicContact CG-CG1 4.32Å
239L97.4Very high90.6Very high59 Ų5940.3 Ų40.331%0.30923%0.231SC..EExtended strand (participates in β ladder)trans-73.7112.4176.2-179.671.8000109.4Y364 Y366L239-Y364 CarbonylContact C-O 3.57Å; L239-Y364 WeakPolarHBondContact CA-O 3.38Å; L239-Y364 HydrophobicContact CB-CE1 4.17Å; L239-Y364 HydrophobicContact CB-CE2 4.22Å; L239-Y364 HydrophobicContact CD1-CD2 4Å; L239-Y364 HydrophobicContact CD1-CE2 3.57Å; L239-Y364 HydrophobicContact CG-CE2 4.48Å; L239-Y366 HydrophobicContact CD1-CD1 4.4Å; L239-Y366 HydrophobicContact CD1-CD2 4.21Å; L239-Y366 HydrophobicContact CD1-CE2 4.31Å; L239-Y366 HydrophobicContact CD1-CG 4.26Å; L239-Y366 HydrophobicContact CD2-CD2 4.47Å; L239-Y366 HydrophobicContact CD2-CE1 3.92Å; L239-Y366 HydrophobicContact CD2-CE2 3.77Å; L239-Y366 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y366 WeakPolarHBondContact CD2-OH 3.15Å
240C97.1Very high91.8Very high1 Ų142 Ų421%0.00724%0.242CC..  trans-140.1111.4-173.4-171.40000110.9L238 F363 Y364L238-C240 HydrophobicContact CD2-CB 3.67Å; L238-C240 PolarHBondContact O-N 2.86Å; C240-F363 HydrophobicContact CB-CB 4.2Å; C240-F363 HydrophobicContact CB-CD2 3.7Å; C240-F363 HydrophobicContact CB-CE2 4.26Å; C240-F363 HydrophobicContact CB-CG 4.02Å; C240-Y364 PolarHBondContact N-O 2.98Å
241P93.8Very high92.9Very high65 Ų6542.8 Ų42.842%0.42225%0.245SC..  trans-58.6158.7168.1-21.733.8000112.1E243P241-E243 VanDerWaalsContact C-N 3.32Å; P241-E243 WeakPolarHBondContact CB-OE2 3.48Å; P241-E243 PolarHBondContact O-N 3.11Å
242Y91.5Very high93.9Very high106 Ų10637.4 Ų37.442%0.41621%0.212SC..SBendtrans-64.4-39.5-177.3179.8-91.9000111.7S244 R245 E276Y242-S244 VanDerWaalsContact C-N 3.34Å; Y242-S244 PolarHBondContact O-N 3.49Å; Y242-R245 VanDerWaalsContact CD2-NH1 3.3Å; Y242-R245 WeakPolarHBondContact O-CB 3.4Å; Y242-R245 PolarHBondContact O-N 3.22Å; Y242-E276 PolarHBondContact OH-OE2 3.48Å
243E91.1Very high94.2Very high157 Ų15735.1 Ų35.173%0.73420%0.199SC*.THydrogen-bonded Turntrans-67.7-32-173.9-56.874.4-162.500112.6P241P241-E243 VanDerWaalsContact C-N 3.32Å; P241-E243 WeakPolarHBondContact CB-OE2 3.48Å; P241-E243 PolarHBondContact O-N 3.11Å
244S92.3Very high94.2Very high60 Ų6037.8 Ų37.842%0.4221%0.21SC..THydrogen-bonded Turntrans-91.8-3.3-179.7-53.80000113.4Y242 A246 A247 T248Y242-S244 VanDerWaalsContact C-N 3.34Å; Y242-S244 PolarHBondContact O-N 3.49Å; S244-A246 PolarHBondContact O-N 2.69Å; S244-A247 PolarHBondContact O-N 2.92Å; S244-T248 PolarHBondContact O-N 2.84Å; S244-T248 PolarHBondContact O-OG1 3.34Å
245R93.8Very high94Very high3 Ų336.3 Ų36.31%0.01120%0.201CC..Hα-helixtrans-62-43.6-166.5-175.3174.6-63.5163.9-4114.1Y242 T248 L249 L277 C335 H336 F363Y242-R245 VanDerWaalsContact CD2-NH1 3.3Å; Y242-R245 WeakPolarHBondContact O-CB 3.4Å; Y242-R245 PolarHBondContact O-N 3.22Å; R245-T248 PolarHBondContact O-N 3.48Å; R245-L249 HydrophobicContact CG-CD1 3.8Å; R245-L249 HydrophobicContact CG-CG 4.1Å; R245-L249 VanDerWaalsContact O-CB 3.28Å; R245-L249 WeakPolarHBondContact O-CB 3.37Å; R245-L249 VanDerWaalsContact O-CG 3.24Å; R245-L249 WeakPolarHBondContact O-CG 3.06Å; R245-L249 PolarHBondContact O-N 2.66Å; R245-L277 HydrophobicContact CB-CD2 4.46Å; R245-L277 HydrophobicContact CG-CD2 4.12Å; R245-C335 PolarHBondContact NH2-O 2.85Å; R245-H336 VanDerWaalsContact CZ-NE2 3.25Å; R245-H336 PolarHBondContact NH1-CD2 3.03Å; R245-H336 PolarHBondContact NH1-NE2 2.86Å; R245-H336 PolarHBondContact NH2-CE1 2.81Å; R245-H336 PolarHBondContact NH2-NE2 2.76Å; R245-F363 HydrophobicContact CG-CD2 4.2Å; R245-F363 HydrophobicContact CG-CE2 4.35Å
246A92.8Very high93.8Very high22 Ų2238.4 Ų38.418%0.18221%0.208CC..Hα-helixtrans-59.1-49.1-179.500000111.7S244 L249 S250 L277 S280S244-A246 PolarHBondContact O-N 2.69Å; A246-L249 PolarHBondContact O-N 3.35Å; A246-S250 PolarHBondContact O-N 3.4Å; A246-S250 VanDerWaalsContact O-N 3.14Å; A246-L277 HydrophobicContact CB-CD2 4.08Å; A246-S280 WeakPolarHBondContact CB-OG 3.31Å
247A92.3Very high93.4Very high51 Ų5138.7 Ų38.742%0.42121%0.21SC..Hα-helixtrans-62.8-49176.900000111.4S244 L249 S250 D251S244-A247 PolarHBondContact O-N 2.92Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 2.94Å; A247-S250 WeakPolarHBondContact O-CB 3.38Å; A247-S250 PolarHBondContact O-N 2.97Å; A247-D251 PolarHBondContact O-N 3.31Å
248T95.1Very high92.4Very high16 Ų1645 Ų4510%0.09824%0.238CC..Hα-helixtrans-61.7-37.3178.7-54.10000112.6L238 S244 R245 D251 V252 F363 A388L238-T248 HydrophobicContact CD1-CG2 4.26Å; L238-T248 HydrophobicContact CD2-CG2 3.79Å; S244-T248 PolarHBondContact O-N 2.84Å; S244-T248 PolarHBondContact O-OG1 3.34Å; R245-T248 PolarHBondContact O-N 3.48Å; T248-D251 PolarHBondContact O-N 3.42Å; T248-V252 HydrophobicContact CG2-CG2 4.16Å; T248-V252 VanDerWaalsContact O-CB 3.31Å; T248-V252 WeakPolarHBondContact O-CB 3.38Å; T248-V252 WeakPolarHBondContact O-CG2 3.48Å; T248-V252 PolarHBondContact O-N 3.17Å; T248-F363 HydrophobicContact CG2-CE2 4.01Å; T248-F363 HydrophobicContact CG2-CZ 3.88Å; T248-A388 HydrophobicContact CG2-CB 4.17Å
249L94.6Very high91.3Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-62.1-48175.6-81.6171.4000111.3R245 A246 A247 D251 V252 I253 V266 L277 M283 I333 F363R245-L249 HydrophobicContact CG-CD1 3.8Å; R245-L249 HydrophobicContact CG-CG 4.1Å; R245-L249 VanDerWaalsContact O-CB 3.28Å; R245-L249 WeakPolarHBondContact O-CB 3.37Å; R245-L249 VanDerWaalsContact O-CG 3.24Å; R245-L249 WeakPolarHBondContact O-CG 3.06Å; R245-L249 PolarHBondContact O-N 2.66Å; A246-L249 PolarHBondContact O-N 3.35Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 2.94Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 3.12Å; L249-V252 PolarHBondContact O-N 2.82Å; L249-I253 WeakPolarHBondContact O-CB 3.33Å; L249-I253 WeakPolarHBondContact O-CD1 3.41Å; L249-I253 WeakPolarHBondContact O-CG1 3.17Å; L249-I253 PolarHBondContact O-N 2.97Å; L249-V266 HydrophobicContact CD1-CG1 4.23Å; L249-V266 HydrophobicContact CD2-CG1 3.97Å; L249-V266 HydrophobicContact CD2-CG2 4.49Å; L249-L277 HydrophobicContact CD1-CD1 3.79Å; L249-L277 HydrophobicContact CD1-CD2 3.87Å; L249-L277 HydrophobicContact CD1-CG 4.39Å; L249-M283 HydrophobicContact CB-SD 3.78Å; L249-I333 HydrophobicContact CD2-CB 4.27Å; L249-I333 HydrophobicContact CD2-CD1 3.84Å; L249-I333 HydrophobicContact CD2-CG2 3.62Å; L249-F363 HydrophobicContact CD2-CD2 4.42Å; L249-F363 HydrophobicContact CD2-CE2 3.66Å; L249-F363 HydrophobicContact CD2-CZ 3.83Å; L249-F363 HydrophobicContact CG-CE2 3.77Å; L249-F363 HydrophobicContact CG-CZ 4.27Å
250S92Very high90.2Very high38 Ų3849.2 Ų49.227%0.26625%0.251SS..Hα-helixtrans-55.5-49.1176.7172.50000111.2A246 A247 V252 I253 K254 A282A246-S250 PolarHBondContact O-N 3.4Å; A246-S250 VanDerWaalsContact O-N 3.14Å; A247-S250 WeakPolarHBondContact O-CB 3.38Å; A247-S250 PolarHBondContact O-N 2.97Å; S250-V252 PolarHBondContact O-N 3.14Å; S250-I253 PolarHBondContact O-N 3.47Å; S250-K254 WeakPolarHBondContact O-CB 3.29Å; S250-K254 PolarHBondContact O-N 2.9Å; S250-A282 VanDerWaalsContact CB-O 3.31Å; S250-A282 WeakPolarHBondContact CB-O 3.46Å; S250-A282 PolarHBondContact OG-O 2.84Å
251D92.5Very high89.4Confident47 Ų4754.9 Ų54.925%0.25128%0.277SS..Hα-helixtrans-64-44.1-179.2-62.6-22.7000111.9A247 T248 L249 K254 V255 P389 I394A247-D251 PolarHBondContact O-N 3.31Å; T248-D251 PolarHBondContact O-N 3.42Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 3.12Å; D251-K254 WeakPolarHBondContact O-CB 3.06Å; D251-K254 PolarHBondContact O-N 3.33Å; D251-V255 WeakPolarHBondContact O-CG2 3.09Å; D251-V255 PolarHBondContact O-N 3.47Å; D251-P389 HydrophobicContact CB-CB 4.19Å; D251-P389 HydrophobicContact CB-CG 4.07Å; D251-I394 HydrophobicContact CB-CD1 3.9Å; D251-I394 HydrophobicContact CB-CG1 4.21Å; D251-I394 VanDerWaalsContact CG-CD1 3.49Å
252V94.9Very high89.1Confident0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-64-46.1178.2167.70000110.9L238 T248 L249 S250 K254 V255 Y256 L331 I333 I361 F363 P389L238-V252 HydrophobicContact CD1-CG2 3.71Å; T248-V252 HydrophobicContact CG2-CG2 4.16Å; T248-V252 VanDerWaalsContact O-CB 3.31Å; T248-V252 WeakPolarHBondContact O-CB 3.38Å; T248-V252 WeakPolarHBondContact O-CG2 3.48Å; T248-V252 PolarHBondContact O-N 3.17Å; L249-V252 PolarHBondContact O-N 2.82Å; S250-V252 PolarHBondContact O-N 3.14Å; V252-K254 VanDerWaalsContact C-N 3.25Å; V252-K254 PolarHBondContact O-N 2.99Å; V252-V255 PolarHBondContact O-N 3.45Å; V252-Y256 HydrophobicContact CG1-CD2 4.01Å; V252-Y256 HydrophobicContact CG1-CE2 4.47Å; V252-Y256 WeakPolarHBondContact O-CB 3.38Å; V252-Y256 WeakPolarHBondContact O-CD2 3.44Å; V252-Y256 PolarHBondContact O-N 3.19Å; V252-L331 HydrophobicContact CG1-CD2 4.48Å; V252-I333 HydrophobicContact CB-CD1 4.45Å; V252-I333 HydrophobicContact CG1-CD1 3.73Å; V252-I333 HydrophobicContact CG1-CG1 4.5Å; V252-I361 HydrophobicContact CG1-CD1 3.6Å; V252-F363 HydrophobicContact CB-CZ 4.43Å; V252-F363 HydrophobicContact CG2-CE1 4.29Å; V252-F363 HydrophobicContact CG2-CZ 4.04Å; V252-P389 HydrophobicContact CG2-CG 3.82Å
253I92.7Very high89Confident17 Ų1748.4 Ų48.49%0.08725%0.245CC..Hα-helixtrans-59.1-43.4177.2-70.2163.9000109.5L249 S250 V255 C257 C264 V266 M283 T313 L331 I333L249-I253 WeakPolarHBondContact O-CB 3.33Å; L249-I253 WeakPolarHBondContact O-CD1 3.41Å; L249-I253 WeakPolarHBondContact O-CG1 3.17Å; L249-I253 PolarHBondContact O-N 2.97Å; S250-I253 PolarHBondContact O-N 3.47Å; I253-V255 PolarHBondContact O-N 3.23Å; I253-C257 HydrophobicContact CG2-CB 4.47Å; I253-C257 WeakPolarHBondContact O-CB 3.21Å; I253-C257 PolarHBondContact O-N 3Å; I253-C257 PolarHBondContact O-SG 2.69Å; I253-C264 HydrophobicContact CG1-CB 4.5Å; I253-V266 HydrophobicContact CD1-CG2 4.2Å; I253-M283 HydrophobicContact CD1-CE 3.66Å; I253-M283 HydrophobicContact CD1-SD 4.17Å; I253-T313 HydrophobicContact CD1-CG2 3.88Å; I253-L331 HydrophobicContact CG1-CD2 4.46Å; I253-I333 HydrophobicContact CD1-CD1 4.38Å; I253-I333 HydrophobicContact CG1-CD1 3.71Å
254K88.6Confident89.1Confident66 Ų6640.9 Ų40.929%0.28721%0.21SC..Hα-helixtrans-62.2-41.7-179.8-166.557.4154.3-175.50113.4S250 D251 V252 E401S250-K254 WeakPolarHBondContact O-CB 3.29Å; S250-K254 PolarHBondContact O-N 2.9Å; D251-K254 WeakPolarHBondContact O-CB 3.06Å; D251-K254 PolarHBondContact O-N 3.33Å; V252-K254 VanDerWaalsContact C-N 3.25Å; V252-K254 PolarHBondContact O-N 2.99Å; K254-E401 WeakPolarHBondContact CE-OE2 3.49Å; K254-E401 IonicContact NZ-OE2 3.65Å; K254-E401 PolarHBondContact NZ-OE2 2.83Å
255V91.4Very high89.2Confident34 Ų3438.1 Ų38.121%0.20619%0.19CC..Hα-helixtrans-76.6-37.2-178.5170.50000112.6D251 V252 I253 P389 D393 I394 A397D251-V255 WeakPolarHBondContact O-CG2 3.09Å; D251-V255 PolarHBondContact O-N 3.47Å; V252-V255 PolarHBondContact O-N 3.45Å; I253-V255 PolarHBondContact O-N 3.23Å; V255-P389 HydrophobicContact CB-CG 4.49Å; V255-P389 HydrophobicContact CG2-CB 3.91Å; V255-P389 HydrophobicContact CG2-CG 4.23Å; V255-D393 HydrophobicContact CG2-CB 4.07Å; V255-I394 HydrophobicContact CG2-CG1 4.35Å; V255-A397 HydrophobicContact CG2-CB 4.18Å
256Y92.4Very high89.2Confident63 Ų6338 Ų3825%0.24719%0.19CC..Hα-helixtrans-94.2-23.3-173.3-75.6-97.2000113.9L236 V252 K258 L331 T359 I361 I386L236-Y256 HydrophobicContact CD1-CE1 3.56Å; V252-Y256 HydrophobicContact CG1-CD2 4.01Å; V252-Y256 HydrophobicContact CG1-CE2 4.47Å; V252-Y256 WeakPolarHBondContact O-CB 3.38Å; V252-Y256 WeakPolarHBondContact O-CD2 3.44Å; V252-Y256 PolarHBondContact O-N 3.19Å; Y256-K258 PolarHBondContact O-N 2.91Å; Y256-L331 HydrophobicContact CG-CD1 4.41Å; Y256-T359 HydrophobicContact CD1-CG2 4.01Å; Y256-T359 HydrophobicContact CE1-CG2 4.13Å; Y256-I361 HydrophobicContact CD1-CD1 4.03Å; Y256-I361 HydrophobicContact CD2-CD1 3.95Å; Y256-I361 HydrophobicContact CE1-CD1 3.98Å; Y256-I361 HydrophobicContact CE2-CD1 3.9Å; Y256-I361 HydrophobicContact CG-CD1 4.02Å; Y256-I386 WeakPolarHBondContact OH-CD1 3.43Å
257C87.8Confident89.4Confident6 Ų637.2 Ų37.24%0.04118%0.182CC..  trans-90.987.4175.3-63.10000110.8I253 G259I253-C257 HydrophobicContact CG2-CB 4.47Å; I253-C257 WeakPolarHBondContact O-CB 3.21Å; I253-C257 PolarHBondContact O-N 3Å; I253-C257 PolarHBondContact O-SG 2.69Å; C257-G259 VanDerWaalsContact C-N 3.26Å; C257-G259 PolarHBondContact O-N 3.03Å
258K77.8Confident89.4Confident133 Ų13334.8 Ų34.858%0.57816%0.163SC*.  trans-77.158.6-173.4-61.2-169.5177.1-164.70114.7Y256 S262 K404Y256-K258 PolarHBondContact O-N 2.91Å; K258-S262 PolarHBondContact N-OG 3.35Å; K258-K404 PolarHBondContact O-NZ 2.69Å; K258-K404 VanDerWaalsContact O-NZ 3.12Å
259G75.4Confident89.1Confident6 Ų638 Ų386%0.06218%0.176CC..SBendtrans149.8176.1176.800000113C257 R312C257-G259 VanDerWaalsContact C-N 3.26Å; C257-G259 PolarHBondContact O-N 3.03Å; G259-R312 PolarHBondContact O-NH1 3.13Å
260R74.6Confident88.9Confident143 Ų14345.6 Ų45.654%0.5421%0.205SC..SBendtrans-82.1-23.3176.2-55-169.983138.9-0.2111.3S262 R263R260-S262 VanDerWaalsContact C-N 3.28Å; R260-R263 PolarHBondContact O-NH1 2.93Å
261E80.1Confident88.9Confident119 Ų11949.3 Ų49.356%0.55622%0.217SC*.SBendtrans-72.5-20.5173.966-79.2-173.200113.1R263 K404E261-R263 VanDerWaalsContact C-NH1 3.29Å; E261-R263 PolarHBondContact O-NH1 3.48Å; E261-K404 IonicContact OE1-NZ 3.81Å
262S86.5Confident88.9Confident8 Ų853.2 Ų53.26%0.05623%0.231CC..  trans-67.8146.7-177.8-660000112.8K258 R260 D330K258-S262 PolarHBondContact N-OG 3.35Å; R260-S262 VanDerWaalsContact C-N 3.28Å; S262-D330 WeakPolarHBondContact CA-OD2 3.28Å; S262-D330 WeakPolarHBondContact CB-OD2 3.32Å; S262-D330 PolarHBondContact OG-OD2 3.33Å
263R89.6Confident88.8Confident27 Ų2754 Ų5410%0.10224%0.235CC..  trans-123.6138.4176.9-57.7-69.6173.4-86.9-20.2111.9R260 E261 F306 R312 N328 V329 D330 L331R260-R263 PolarHBondContact O-NH1 2.93Å; E261-R263 VanDerWaalsContact C-NH1 3.29Å; E261-R263 PolarHBondContact O-NH1 3.48Å; R263-F306 HydrophobicContact CB-CE2 4.03Å; R263-F306 HydrophobicContact CB-CZ 3.82Å; R263-F306 HydrophobicContact CG-CE2 4.34Å; R263-F306 HydrophobicContact CG-CZ 4.4Å; R263-F306 PolarHBondContact NE-O 3.05Å; R263-R312 WeakPolarHBondContact CA-O 3.48Å; R263-N328 WeakPolarHBondContact CB-O 3.44Å; R263-V329 HydrophobicContact CB-CG2 4.5Å; R263-D330 PolarHBondContact N-OD2 2.84Å; R263-D330 PolarHBondContact O-N 2.94Å; R263-L331 PolarHBondContact O-N 2.69Å
264C93.3Very high88.8Confident0 Ų053.2 Ų53.20%023%0.231CC..EExtended strand (participates in β ladder)trans-120.4134.9175.6-174.90000111.5I253 F306 R312 T313 L314 L331I253-C264 HydrophobicContact CG1-CB 4.5Å; C264-F306 WeakPolarHBondContact O-CZ 3.42Å; C264-R312 PolarHBondContact N-O 2.93Å; C264-T313 HydrophobicContact CB-CG2 4.49Å; C264-T313 WeakPolarHBondContact O-CA 3.29Å; C264-L314 PolarHBondContact O-N 3.1Å; C264-L331 CarbonylContact C-O 3.6Å; C264-L331 WeakPolarHBondContact CA-O 3.25Å; C264-L331 HydrophobicContact CB-CB 4.3Å; C264-L331 HydrophobicContact CB-CD2 4.47Å
265I94.4Very high88.9Confident1 Ų153.4 Ų53.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-112.6125.9166.3-59.9-177.2000108.8F267 F306 L314 T316 V329 L331 V332 I333 R350I265-F267 HydrophobicContact CB-CE2 4.37Å; I265-F267 HydrophobicContact CG2-CD2 3.97Å; I265-F267 HydrophobicContact CG2-CE2 3.56Å; I265-F267 HydrophobicContact CG2-CZ 3.94Å; I265-F306 HydrophobicContact CD1-CE1 4.13Å; I265-F306 HydrophobicContact CG1-CE1 3.86Å; I265-F306 HydrophobicContact CG1-CZ 3.81Å; I265-L314 CarbonylContact C-O 3.54Å; I265-L314 WeakPolarHBondContact CA-O 3.42Å; I265-L314 HydrophobicContact CG1-CB 4.44Å; I265-T316 HydrophobicContact CG2-CG2 3.56Å; I265-V329 HydrophobicContact CB-CG1 4.47Å; I265-V329 HydrophobicContact CD1-CG1 4.35Å; I265-V329 HydrophobicContact CD1-CG2 3.69Å; I265-V329 HydrophobicContact CG1-CG1 4.02Å; I265-V329 HydrophobicContact CG1-CG2 3.97Å; I265-L331 PolarHBondContact N-O 2.98Å; I265-V332 CarbonylContact O-C 3.6Å; I265-V332 WeakPolarHBondContact O-CA 3.29Å; I265-I333 PolarHBondContact O-N 2.7Å; I265-R350 HydrophobicContact CD1-CB 4.29Å
266V95.2Very high89Confident0 Ų055.7 Ų55.70%024%0.244CC..EExtended strand (participates in β ladder)trans-111.6115.1178.6-177.50000109.6L249 I253 T313 L314 L315 T316 I333 C335L249-V266 HydrophobicContact CD1-CG1 4.23Å; L249-V266 HydrophobicContact CD2-CG1 3.97Å; L249-V266 HydrophobicContact CD2-CG2 4.49Å; I253-V266 HydrophobicContact CD1-CG2 4.2Å; V266-T313 HydrophobicContact CG2-CG2 3.78Å; V266-L314 PolarHBondContact N-O 3.49Å; V266-L315 HydrophobicContact CB-CD2 3.62Å; V266-L315 HydrophobicContact CB-CG 4.37Å; V266-L315 HydrophobicContact CG1-CD2 3.57Å; V266-L315 HydrophobicContact CG2-CD2 4.32Å; V266-L315 CarbonylContact O-C 3.59Å; V266-L315 WeakPolarHBondContact O-CA 3.41Å; V266-T316 PolarHBondContact O-N 3.48Å; V266-I333 CarbonylContact C-O 3.58Å; V266-I333 WeakPolarHBondContact CA-O 3.28Å; V266-I333 HydrophobicContact CG1-CB 4.42Å; V266-I333 HydrophobicContact CG2-CB 4.22Å; V266-I333 HydrophobicContact CG2-CD1 4.3Å; V266-C335 WeakPolarHBondContact CG1-SG 3.49Å
267F95.4Very high89Confident6 Ų653.4 Ų53.43%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-90.2121.8180-73.5-89.6000112I265 T316 A321 V332 I333 Q334 C335 R347 R350I265-F267 HydrophobicContact CB-CE2 4.37Å; I265-F267 HydrophobicContact CG2-CD2 3.97Å; I265-F267 HydrophobicContact CG2-CE2 3.56Å; I265-F267 HydrophobicContact CG2-CZ 3.94Å; F267-T316 CarbonylContact C-O 3.56Å; F267-T316 VanDerWaalsContact CA-O 3.31Å; F267-T316 WeakPolarHBondContact CA-O 3.39Å; F267-T316 HydrophobicContact CD1-CG2 4Å; F267-T316 HydrophobicContact CE1-CG2 4.07Å; F267-T316 HydrophobicContact CG-CG2 4.42Å; F267-A321 HydrophobicContact CD1-CB 4.09Å; F267-A321 HydrophobicContact CE1-CB 3.19Å; F267-A321 HydrophobicContact CZ-CB 3.71Å; F267-V332 HydrophobicContact CD2-CG1 3.81Å; F267-V332 HydrophobicContact CE2-CG1 3.75Å; F267-I333 PolarHBondContact N-O 3.5Å; F267-Q334 HydrophobicContact CB-CG 4.49Å; F267-Q334 HydrophobicContact CD2-CG 4.49Å; F267-C335 WeakPolarHBondContact O-CB 3.28Å; F267-C335 PolarHBondContact O-N 2.83Å; F267-R347 HydrophobicContact CD1-CG 3.66Å; F267-R347 HydrophobicContact CD2-CB 3.96Å; F267-R347 HydrophobicContact CD2-CG 3.92Å; F267-R347 HydrophobicContact CE1-CB 4.33Å; F267-R347 HydrophobicContact CE1-CG 3.59Å; F267-R347 HydrophobicContact CE2-CB 3.75Å; F267-R347 HydrophobicContact CE2-CG 3.89Å; F267-R347 HydrophobicContact CG-CB 4.35Å; F267-R347 HydrophobicContact CG-CG 3.81Å; F267-R347 HydrophobicContact CZ-CB 3.95Å; F267-R347 HydrophobicContact CZ-CG 3.73Å; F267-R350 HydrophobicContact CE2-CG 4.24Å; F267-R350 HydrophobicContact CZ-CG 3.94Å
268C93.8Very high89.1Confident1 Ų154.7 Ų54.71%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-108.4148175.1-57.60000110.5D273 A274 T316 T317C268-D273 HydrophobicContact CB-CB 4.25Å; C268-A274 HydrophobicContact CB-CB 3.98Å; C268-T316 PolarHBondContact N-O 2.84Å; C268-T317 WeakPolarHBondContact O-CA 3.49Å
269E89.1Confident89.7Confident82 Ų8252.1 Ų52.138%0.38325%0.248SC..SBendtrans-73.9-48.3177.1-171.3178-170.900110.7R339E269-R339 IonicContact OE1-CZ 2.95Å; E269-R339 IonicContact OE1-NE 3.35Å; E269-R339 PolarHBondContact OE1-NE 3.05Å; E269-R339 IonicContact OE1-NH2 2.75Å; E269-R339 PolarHBondContact OE1-NH2 3.28Å
270R90.4Very high90.3Very high160 Ų16053 Ų5360%0.60425%0.254SS*.SBendtrans-108.5149.9-178.2-52.9173-178.3-177.4-0.4110.9K272 D273 A274R270-K272 PolarHBondContact O-N 2.92Å; R270-D273 WeakPolarHBondContact CB-OD2 3.32Å; R270-D273 PolarHBondContact N-OD2 3.06Å; R270-D273 VanDerWaalsContact N-OD2 3.09Å; R270-D273 PolarHBondContact O-N 3.05Å; R270-A274 PolarHBondContact O-N 3.09Å
271K90.6Very high90.9Very high117 Ų11753.3 Ų53.351%0.50927%0.266SS..Hα-helixtrans-58.4-38.4173.362.4-177.1-173.8-1780112.2D273 A274 D275 H291 S293 T317K271-D273 VanDerWaalsContact C-N 3.33Å; K271-D273 PolarHBondContact O-N 2.84Å; K271-A274 WeakPolarHBondContact O-CB 3.47Å; K271-A274 PolarHBondContact O-N 3.09Å; K271-D275 PolarHBondContact O-N 3.39Å; K271-H291 HydrophobicContact CB-CB 3.88Å; K271-S293 WeakPolarHBondContact CD-OG 3.37Å; K271-S293 PolarHBondContact NZ-OG 3.4Å; K271-T317 HydrophobicContact CB-CG2 4.42Å
272K92.4Very high90.9Very high129 Ų12949.8 Ų49.856%0.56126%0.257SS*.Hα-helixtrans-58.9-43.9176.6-177.8175.3168.8178.50111.5R270 A274 D275 E276R270-K272 PolarHBondContact O-N 2.92Å; K272-A274 VanDerWaalsContact C-N 3.31Å; K272-A274 PolarHBondContact O-N 2.74Å; K272-D275 PolarHBondContact O-N 3.48Å; K272-E276 WeakPolarHBondContact CE-OE1 3.29Å; K272-E276 HydrophobicContact CG-CG 4.3Å; K272-E276 IonicContact NZ-OE1 3.29Å; K272-E276 WeakPolarHBondContact O-CB 3.44Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.97Å
273D92.7Very high90.6Very high16 Ų1650 Ų509%0.08626%0.257CS..Hα-helixtrans-62.8-39.7178.3-47-26.4000111.2C268 R270 K271 L277C268-D273 HydrophobicContact CB-CB 4.25Å; R270-D273 WeakPolarHBondContact CB-OD2 3.32Å; R270-D273 PolarHBondContact N-OD2 3.06Å; R270-D273 VanDerWaalsContact N-OD2 3.09Å; R270-D273 PolarHBondContact O-N 3.05Å; K271-D273 VanDerWaalsContact C-N 3.33Å; K271-D273 PolarHBondContact O-N 2.84Å; D273-L277 VanDerWaalsContact O-CB 3.3Å; D273-L277 WeakPolarHBondContact O-CB 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 2.82Å
274A92.4Very high89.3Confident0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-65.7-42.4177.800000111.9C268 R270 K271 K272 S278 V289C268-A274 HydrophobicContact CB-CB 3.98Å; R270-A274 PolarHBondContact O-N 3.09Å; K271-A274 WeakPolarHBondContact O-CB 3.47Å; K271-A274 PolarHBondContact O-N 3.09Å; K272-A274 VanDerWaalsContact C-N 3.31Å; K272-A274 PolarHBondContact O-N 2.74Å; A274-S278 WeakPolarHBondContact O-CB 3.27Å; A274-S278 PolarHBondContact O-N 2.9Å; A274-S278 PolarHBondContact O-OG 3.29Å; A274-V289 HydrophobicContact CB-CG1 3.76Å; A274-V289 WeakPolarHBondContact O-CG2 3.46Å
275D92.4Very high88.2Confident70 Ų7056.3 Ų56.337%0.37432%0.319SS..Hα-helixtrans-64.5-48176.5-67.1-35.8000111.2K271 K272 L277 S278 A279 H291K271-D275 PolarHBondContact O-N 3.39Å; K272-D275 PolarHBondContact O-N 3.48Å; D275-L277 PolarHBondContact O-N 2.94Å; D275-S278 PolarHBondContact O-N 3.38Å; D275-S278 PolarHBondContact O-OG 3.42Å; D275-A279 WeakPolarHBondContact O-CB 3.46Å; D275-A279 PolarHBondContact O-N 2.89Å; D275-H291 IonicContact OD1-CD2 3.83Å; D275-H291 IonicContact OD1-NE2 2.7Å; D275-H291 PolarHBondContact OD1-NE2 2.98Å; D275-H291 IonicContact OD2-CD2 3.97Å; D275-H291 IonicContact OD2-NE2 2.63Å; D275-H291 PolarHBondContact OD2-NE2 3.27Å
276E91.9Very high87.4Confident82 Ų8258.9 Ų58.938%0.38333%0.333SS..Hα-helixtrans-61.1-44.4178.3-74.6174.8160.300112.1Y242 K272 S278 A279 S280Y242-E276 PolarHBondContact OH-OE2 3.48Å; K272-E276 WeakPolarHBondContact CE-OE1 3.29Å; K272-E276 HydrophobicContact CG-CG 4.3Å; K272-E276 IonicContact NZ-OE1 3.29Å; K272-E276 WeakPolarHBondContact O-CB 3.44Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.97Å; E276-S278 VanDerWaalsContact C-N 3.33Å; E276-S278 PolarHBondContact O-N 3.29Å; E276-A279 PolarHBondContact O-N 3.31Å; E276-S280 PolarHBondContact O-N 2.73Å
277L92.4Very high87.1Confident15 Ų1559.7 Ų59.78%0.07934%0.339CS..Hα-helixtrans-62.3-41.5175.9-74.3173.7000111.7R245 A246 L249 D273 D275 A279 S280 M283 L315R245-L277 HydrophobicContact CB-CD2 4.46Å; R245-L277 HydrophobicContact CG-CD2 4.12Å; A246-L277 HydrophobicContact CB-CD2 4.08Å; L249-L277 HydrophobicContact CD1-CD1 3.79Å; L249-L277 HydrophobicContact CD1-CD2 3.87Å; L249-L277 HydrophobicContact CD1-CG 4.39Å; D273-L277 VanDerWaalsContact O-CB 3.3Å; D273-L277 WeakPolarHBondContact O-CB 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 2.82Å; D275-L277 PolarHBondContact O-N 2.94Å; L277-A279 VanDerWaalsContact C-N 3.29Å; L277-A279 PolarHBondContact O-N 3.46Å; L277-S280 WeakPolarHBondContact O-CB 3.5Å; L277-S280 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-OG 3.21Å; L277-M283 VanDerWaalsContact O-CB 3.31Å; L277-M283 WeakPolarHBondContact O-CB 3.28Å; L277-L315 HydrophobicContact CB-CD1 4.39Å; L277-L315 HydrophobicContact CB-CD2 4.2Å; L277-L315 HydrophobicContact CD1-CD2 4.27Å
278S91.1Very high86.9Confident34 Ų3463 Ų6324%0.23835%0.354CS..Hα-helixtrans-68.2-27.9179.476.30000114.1A274 D275 E276 S280 V289A274-S278 WeakPolarHBondContact O-CB 3.27Å; A274-S278 PolarHBondContact O-N 2.9Å; A274-S278 PolarHBondContact O-OG 3.29Å; D275-S278 PolarHBondContact O-N 3.38Å; D275-S278 PolarHBondContact O-OG 3.42Å; E276-S278 VanDerWaalsContact C-N 3.33Å; E276-S278 PolarHBondContact O-N 3.29Å; S278-S280 VanDerWaalsContact C-N 3.33Å; S278-V289 VanDerWaalsContact OG-CG2 3.29Å; S278-V289 WeakPolarHBondContact OG-CG2 3.35Å
279A90.3Very high86.8Confident78 Ų7863.9 Ų63.965%0.64536%0.36SS*.Hα-helixtrans-83.4-9.4178.500000113.1D275 E276 L277D275-A279 WeakPolarHBondContact O-CB 3.46Å; D275-A279 PolarHBondContact O-N 2.89Å; E276-A279 PolarHBondContact O-N 3.31Å; L277-A279 VanDerWaalsContact C-N 3.29Å; L277-A279 PolarHBondContact O-N 3.46Å
280S88.8Confident86.9Confident25 Ų2560 Ų6018%0.17534%0.341CS..SBendtrans-70.2139.7178.372.70000111.8A246 E276 L277 S278 A282 M283 S284A246-S280 WeakPolarHBondContact CB-OG 3.31Å; E276-S280 PolarHBondContact O-N 2.73Å; L277-S280 WeakPolarHBondContact O-CB 3.5Å; L277-S280 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-OG 3.21Å; S278-S280 VanDerWaalsContact C-N 3.33Å; S280-A282 PolarHBondContact O-N 2.76Å; S280-M283 PolarHBondContact O-N 3.29Å; S280-M283 WeakPolarHBondContact OG-CB 3.47Å; S280-M283 WeakPolarHBondContact OG-CG 3.39Å; S280-M283 PolarHBondContact OG-N 2.76Å; S280-S284 WeakPolarHBondContact O-CB 3.35Å; S280-S284 PolarHBondContact O-N 3.05Å
281D86.3Confident86.8Confident150 Ų15053.1 Ų53.180%0.80232%0.316SS*.THydrogen-bonded Turntrans-55.5-38179.1-66.8-26.1000112M283 S284D281-M283 VanDerWaalsContact C-N 3.28Å; D281-M283 PolarHBondContact O-N 3.09Å; D281-S284 PolarHBondContact O-N 3.23Å; D281-S284 PolarHBondContact O-OG 3.14Å
282A80.5Confident86.4Confident44 Ų4450.5 Ų50.536%0.36432%0.322SS..THydrogen-bonded Turntrans-61.9-31.617900000113.7S250 S280S250-A282 VanDerWaalsContact CB-O 3.31Å; S250-A282 WeakPolarHBondContact CB-O 3.46Å; S250-A282 PolarHBondContact OG-O 2.84Å; S280-A282 PolarHBondContact O-N 2.76Å
283M80Confident86.1Confident12 Ų1247.6 Ų47.66%0.05932%0.318CS..THydrogen-bonded Turntrans-101.8-11.7-179.5-66.8-66.3-61.300113L249 I253 L277 S280 D281 G285 C287 T313L249-M283 HydrophobicContact CB-SD 3.78Å; I253-M283 HydrophobicContact CD1-CE 3.66Å; I253-M283 HydrophobicContact CD1-SD 4.17Å; L277-M283 VanDerWaalsContact O-CB 3.31Å; L277-M283 WeakPolarHBondContact O-CB 3.28Å; S280-M283 PolarHBondContact O-N 3.29Å; S280-M283 WeakPolarHBondContact OG-CB 3.47Å; S280-M283 WeakPolarHBondContact OG-CG 3.39Å; S280-M283 PolarHBondContact OG-N 2.76Å; D281-M283 VanDerWaalsContact C-N 3.28Å; D281-M283 PolarHBondContact O-N 3.09Å; M283-G285 PolarHBondContact O-N 3.18Å; M283-C287 HydrophobicContact CE-CB 4.36Å; M283-C287 PolarHBondContact O-SG 3.12Å; M283-T313 HydrophobicContact CE-CG2 4.11Å
284S62.7Low85.7Confident74 Ų7447.5 Ų47.552%0.51732%0.318SS..THydrogen-bonded Turntrans-61.7132.3-172.971.60000111.5S280 D281S280-S284 WeakPolarHBondContact O-CB 3.35Å; S280-S284 PolarHBondContact O-N 3.05Å; D281-S284 PolarHBondContact O-N 3.23Å; D281-S284 PolarHBondContact O-OG 3.14Å
285G68.9Low85.4Confident86 Ų8651.1 Ų51.189%0.88734%0.342SS*.THydrogen-bonded Turntrans106.9-22.7170.300000117.4M283M283-G285 PolarHBondContact O-N 3.18Å
286D78.8Confident84.9Confident55 Ų5548.3 Ų48.329%0.29433%0.326SS..SBendtrans-133.827.8179.8-157.27.7000113.3Y311 R312 T313D286-Y311 WeakPolarHBondContact OD1-CA 3.37Å; D286-Y311 WeakPolarHBondContact OD1-CB 3.48Å; D286-R312 PolarHBondContact OD1-N 2.93Å; D286-R312 WeakPolarHBondContact OD2-CD 3.36Å; D286-R312 VanDerWaalsContact OD2-CG 3.27Å; D286-R312 WeakPolarHBondContact OD2-CG 3.47Å; D286-R312 IonicContact OD2-CZ 3.72Å; D286-R312 IonicContact OD2-NE 3.7Å; D286-R312 PolarHBondContact OD2-NE 3.38Å; D286-T313 WeakPolarHBondContact O-CB 3.34Å; D286-T313 PolarHBondContact O-N 3.46Å; D286-T313 VanDerWaalsContact O-N 3.13Å
287C88.8Confident84.6Confident18 Ų1850 Ų5012%0.12234%0.338CS..EExtended strand (participates in β ladder)trans-137.7152175.773.50000114M283 T313 L315M283-C287 HydrophobicContact CE-CB 4.36Å; M283-C287 PolarHBondContact O-SG 3.12Å; C287-T313 VanDerWaalsContact CA-O 3.23Å; C287-T313 WeakPolarHBondContact CA-O 3.23Å; C287-T313 HydrophobicContact CB-CG2 4.02Å; C287-L315 HydrophobicContact CB-CD1 4.06Å
288H91.3Very high84.3Confident74 Ų7455.1 Ų55.134%0.34336%0.359SS..EExtended strand (participates in β ladder)trans-134.1150.8171-79.5-88.5000111.3V302 Y311 T313 L315H288-V302 HydrophobicContact CB-CG1 4.21Å; H288-Y311 HydrophobicContact CB-CD2 4.41Å; H288-Y311 HydrophobicContact CB-CE1 4.19Å; H288-Y311 HydrophobicContact CB-CE2 3.86Å; H288-Y311 AromaticContact CD2-CD1 3.18Å; H288-Y311 WeakPolarHBondContact CD2-CD1 3.46Å; H288-Y311 AromaticContact CD2-CD2 3.9Å; H288-Y311 AromaticContact CD2-CE1 3.28Å; H288-Y311 WeakPolarHBondContact CD2-CE1 3.28Å; H288-Y311 AromaticContact CD2-CG 3.48Å; H288-Y311 VanDerWaalsContact CD2-CG 3.48Å; H288-Y311 AromaticContact CD2-CZ 3.68Å; H288-Y311 AromaticContact CG-CE1 3.84Å; H288-Y311 AromaticContact CG-CZ 3.89Å; H288-Y311 AromaticContact NE2-CD1 3.73Å; H288-Y311 AromaticContact NE2-CE1 3.95Å; H288-T313 PolarHBondContact N-O 2.79Å; H288-L315 PolarHBondContact O-N 3.41Å
289V91.8Very high84.1Confident21 Ų2154.1 Ų54.113%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-100139.3-177.8-1770000112.1A274 S278 H291 L315A274-V289 HydrophobicContact CB-CG1 3.76Å; A274-V289 WeakPolarHBondContact O-CG2 3.46Å; S278-V289 VanDerWaalsContact OG-CG2 3.29Å; S278-V289 WeakPolarHBondContact OG-CG2 3.35Å; V289-H291 VanDerWaalsContact CG1-CD2 3.49Å; V289-H291 WeakPolarHBondContact CG1-CD2 3.5Å; V289-L315 CarbonylContact C-O 3.44Å; V289-L315 VanDerWaalsContact CA-O 3.28Å; V289-L315 WeakPolarHBondContact CA-O 3.22Å; V289-L315 HydrophobicContact CG2-CB 4.11Å; V289-L315 HydrophobicContact CG2-CD1 4.32Å
290L90Very high83.8Confident0 Ų054.2 Ų54.20%034%0.338CS..EExtended strand (participates in β ladder)trans-132.9108.2173.6-16676.2000110.5R299 V302 L303 L314 L315 T316 T317 A320 L324L290-R299 HydrophobicContact CD1-CB 3.78Å; L290-R299 HydrophobicContact CD1-CG 3.66Å; L290-V302 HydrophobicContact CD1-CG1 4.17Å; L290-L303 HydrophobicContact CD2-CD1 4.4Å; L290-L303 HydrophobicContact CD2-CD2 3.81Å; L290-L303 HydrophobicContact CD2-CG 4.19Å; L290-L314 HydrophobicContact CB-CD1 4.04Å; L290-L314 HydrophobicContact CD2-CD2 4.41Å; L290-L315 PolarHBondContact N-O 2.89Å; L290-T316 WeakPolarHBondContact O-CA 3.37Å; L290-T316 PolarHBondContact O-OG1 3.41Å; L290-T316 VanDerWaalsContact O-OG1 3.06Å; L290-T317 PolarHBondContact O-N 3.35Å; L290-A320 HydrophobicContact CD2-CB 4.39Å; L290-A320 WeakPolarHBondContact CD2-O 3.28Å; L290-A320 HydrophobicContact CG-CB 4.1Å; L290-A320 WeakPolarHBondContact O-CB 3.21Å; L290-L324 HydrophobicContact CD2-CD1 4.04Å; L290-L324 HydrophobicContact CD2-CD2 4.16Å
291H89.5Confident83.7Confident15 Ų1557 Ų577%0.06935%0.35CS..  trans-142.4175.7175.662.243.8000110.8K271 D275 V289 S293 V294 R299 T317K271-H291 HydrophobicContact CB-CB 3.88Å; D275-H291 IonicContact OD1-CD2 3.83Å; D275-H291 IonicContact OD1-NE2 2.7Å; D275-H291 PolarHBondContact OD1-NE2 2.98Å; D275-H291 IonicContact OD2-CD2 3.97Å; D275-H291 IonicContact OD2-NE2 2.63Å; D275-H291 PolarHBondContact OD2-NE2 3.27Å; V289-H291 VanDerWaalsContact CG1-CD2 3.49Å; V289-H291 WeakPolarHBondContact CG1-CD2 3.5Å; H291-S293 VanDerWaalsContact C-N 3.27Å; H291-S293 PolarHBondContact ND1-N 3.26Å; H291-S293 VanDerWaalsContact ND1-N 3.15Å; H291-S293 PolarHBondContact O-N 3.43Å; H291-S293 VanDerWaalsContact O-N 3.13Å; H291-V294 WeakPolarHBondContact O-CB 3.42Å; H291-V294 WeakPolarHBondContact O-CG2 3.45Å; H291-V294 PolarHBondContact O-N 2.8Å; H291-R299 PolarHBondContact O-NH1 3Å; H291-T317 HydrophobicContact CB-CG2 3.94Å
292G82.2Confident83.8Confident62 Ų6250.2 Ų50.264%0.63931%0.314SS*.THydrogen-bonded Turntrans-58.1-27.4-174.600000116.3V294G292-V294 VanDerWaalsContact C-N 3.31Å; G292-V294 PolarHBondContact O-N 3.07Å
293S84.5Confident84.1Confident68 Ų6848.5 Ų48.548%0.47630%0.299SS..THydrogen-bonded Turntrans-81.1-2.7176.3-21.60000114.6K271 H291 P295K271-S293 WeakPolarHBondContact CD-OG 3.37Å; K271-S293 PolarHBondContact NZ-OG 3.4Å; H291-S293 VanDerWaalsContact C-N 3.27Å; H291-S293 PolarHBondContact ND1-N 3.26Å; H291-S293 VanDerWaalsContact ND1-N 3.15Å; H291-S293 PolarHBondContact O-N 3.43Å; H291-S293 VanDerWaalsContact O-N 3.13Å; S293-P295 WeakPolarHBondContact O-CD 3.42Å
294V86.2Confident84.3Confident15 Ų1551.8 Ų51.89%0.09131%0.314CS..SBendtrans-78.1125.1177.7-178.20000108.7H291 G292 K298 R299H291-V294 WeakPolarHBondContact O-CB 3.42Å; H291-V294 WeakPolarHBondContact O-CG2 3.45Å; H291-V294 PolarHBondContact O-N 2.8Å; G292-V294 VanDerWaalsContact C-N 3.31Å; G292-V294 PolarHBondContact O-N 3.07Å; V294-K298 HydrophobicContact CG1-CB 3.95Å; V294-K298 HydrophobicContact CG1-CD 4.05Å; V294-K298 HydrophobicContact CG1-CG 3.9Å; V294-R299 HydrophobicContact CB-CG 3.79Å; V294-R299 HydrophobicContact CG1-CG 3.65Å; V294-R299 VanDerWaalsContact O-CD 3.31Å; V294-R299 WeakPolarHBondContact O-CD 3.44Å; V294-R299 WeakPolarHBondContact O-CG 3.44Å
295P85.7Confident85.5Confident76 Ų7653.7 Ų53.749%0.49431%0.31SS..  trans-56.1146.4175.7-28.237.3000113.1S293 D297 K298 R299S293-P295 WeakPolarHBondContact O-CD 3.42Å; P295-D297 WeakPolarHBondContact CB-OD1 3.45Å; P295-D297 PolarHBondContact O-N 3.43Å; P295-K298 HydrophobicContact CB-CB 4.41Å; P295-K298 CarbonylContact O-C 3.52Å; P295-K298 WeakPolarHBondContact O-CA 3.43Å; P295-K298 WeakPolarHBondContact O-CB 3.35Å; P295-K298 PolarHBondContact O-N 3.27Å; P295-K298 VanDerWaalsContact O-N 3.08Å; P295-R299 WeakPolarHBondContact O-CG 3.44Å; P295-R299 PolarHBondContact O-N 2.79Å
296Q82.3Confident86.4Confident10 Ų1049.6 Ų49.65%0.04727%0.268CS..Hα-helixtrans-61.4-43-169.7-176.461.328.300113.7Y115 V118 K298 R299 E300Y115-Q296 HydrophobicContact CE2-CG 4.29Å; V118-Q296 HydrophobicContact CG1-CB 4.36Å; V118-Q296 HydrophobicContact CG1-CG 3.74Å; Q296-K298 VanDerWaalsContact C-N 3.29Å; Q296-K298 PolarHBondContact O-N 2.87Å; Q296-R299 WeakPolarHBondContact O-CB 3.44Å; Q296-R299 PolarHBondContact O-N 3.05Å; Q296-R299 VanDerWaalsContact O-N 3.13Å; Q296-E300 PolarHBondContact NE2-OE1 3.37Å; Q296-E300 WeakPolarHBondContact O-CG 3.48Å; Q296-E300 PolarHBondContact O-N 3.12Å
297D84Confident86.7Confident118 Ų11852.1 Ų52.163%0.63127%0.273SS*.Hα-helixtrans-57.4-42.6173.760.6-31.7000111.8P295 L301P295-D297 WeakPolarHBondContact CB-OD1 3.45Å; P295-D297 PolarHBondContact O-N 3.43Å; D297-L301 WeakPolarHBondContact O-CB 3.4Å; D297-L301 PolarHBondContact O-N 3.14Å; D297-L301 VanDerWaalsContact O-N 3.1Å
298K87.8Confident86.5Confident122 Ų12255.5 Ų55.553%0.5329%0.29SS..Hα-helixtrans-68.9-38.3174.7-171.5174.4177.8-1770111.7V294 P295 Q296 L301 V302V294-K298 HydrophobicContact CG1-CB 3.95Å; V294-K298 HydrophobicContact CG1-CD 4.05Å; V294-K298 HydrophobicContact CG1-CG 3.9Å; P295-K298 HydrophobicContact CB-CB 4.41Å; P295-K298 CarbonylContact O-C 3.52Å; P295-K298 WeakPolarHBondContact O-CA 3.43Å; P295-K298 WeakPolarHBondContact O-CB 3.35Å; P295-K298 PolarHBondContact O-N 3.27Å; P295-K298 VanDerWaalsContact O-N 3.08Å; Q296-K298 VanDerWaalsContact C-N 3.29Å; Q296-K298 PolarHBondContact O-N 2.87Å; K298-L301 PolarHBondContact O-N 3.39Å; K298-V302 HydrophobicContact CG-CG2 4.34Å; K298-V302 WeakPolarHBondContact O-CB 3.48Å; K298-V302 WeakPolarHBondContact O-CG2 3.4Å; K298-V302 PolarHBondContact O-N 3.09Å
299R86.2Confident86.2Confident14 Ų1453.3 Ų53.35%0.05329%0.287CS..Hα-helixtrans-59.6-48.5175.9-67.7178.367.579.26.3110.9E92 L290 H291 V294 P295 Q296 L301 V302 L303 A320E92-R299 IonicContact OE1-CZ 3.85Å; E92-R299 VanDerWaalsContact OE1-CZ 3.29Å; E92-R299 IonicContact OE1-NE 3.39Å; E92-R299 PolarHBondContact OE1-NE 3.11Å; E92-R299 IonicContact OE1-NH2 3.94Å; E92-R299 PolarHBondContact OE1-NH2 2.96Å; L290-R299 HydrophobicContact CD1-CB 3.78Å; L290-R299 HydrophobicContact CD1-CG 3.66Å; H291-R299 PolarHBondContact O-NH1 3Å; V294-R299 HydrophobicContact CB-CG 3.79Å; V294-R299 HydrophobicContact CG1-CG 3.65Å; V294-R299 VanDerWaalsContact O-CD 3.31Å; V294-R299 WeakPolarHBondContact O-CD 3.44Å; V294-R299 WeakPolarHBondContact O-CG 3.44Å; P295-R299 WeakPolarHBondContact O-CG 3.44Å; P295-R299 PolarHBondContact O-N 2.79Å; Q296-R299 WeakPolarHBondContact O-CB 3.44Å; Q296-R299 PolarHBondContact O-N 3.05Å; Q296-R299 VanDerWaalsContact O-N 3.13Å; R299-L301 PolarHBondContact O-N 3.17Å; R299-V302 PolarHBondContact O-N 3.4Å; R299-L303 WeakPolarHBondContact O-CG 3.44Å; R299-L303 PolarHBondContact O-N 3Å; R299-A320 PolarHBondContact NH2-O 3.42Å
300E84.1Confident85.9Confident80 Ų8059.7 Ų59.737%0.37431%0.313SS..Hα-helixtrans-61.3-44.3178.7-72.4169.7-166.400111.2Y115 Q296 L303 Q304Y115-E300 PolarHBondContact OH-OE1 3.4Å; Y115-E300 VanDerWaalsContact OH-OE1 3.13Å; Q296-E300 PolarHBondContact NE2-OE1 3.37Å; Q296-E300 WeakPolarHBondContact O-CG 3.48Å; Q296-E300 PolarHBondContact O-N 3.12Å; E300-L303 PolarHBondContact O-N 2.96Å; E300-Q304 WeakPolarHBondContact O-CB 3.22Å; E300-Q304 PolarHBondContact O-N 3.26Å
301L87Confident85.7Confident83 Ų8360.1 Ų60.144%0.43532%0.315SS..Hα-helixtrans-63.3-43.1176.4-178.763000113D297 K298 R299 Q304 R305D297-L301 WeakPolarHBondContact O-CB 3.4Å; D297-L301 PolarHBondContact O-N 3.14Å; D297-L301 VanDerWaalsContact O-N 3.1Å; K298-L301 PolarHBondContact O-N 3.39Å; R299-L301 PolarHBondContact O-N 3.17Å; L301-Q304 PolarHBondContact O-N 3.16Å; L301-R305 HydrophobicContact CD1-CG 4.31Å; L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 VanDerWaalsContact O-CG 3.29Å; L301-R305 WeakPolarHBondContact O-CG 3.37Å; L301-R305 PolarHBondContact O-N 2.93Å
302V88.4Confident85.6Confident7 Ų760.8 Ų60.84%0.04232%0.317CS..Hα-helixtrans-59.3-53.9176.2164.50000108.7H288 L290 K298 R299 Q304 R305 F306 Y311 L314H288-V302 HydrophobicContact CB-CG1 4.21Å; L290-V302 HydrophobicContact CD1-CG1 4.17Å; K298-V302 HydrophobicContact CG-CG2 4.34Å; K298-V302 WeakPolarHBondContact O-CB 3.48Å; K298-V302 WeakPolarHBondContact O-CG2 3.4Å; K298-V302 PolarHBondContact O-N 3.09Å; R299-V302 PolarHBondContact O-N 3.4Å; V302-Q304 VanDerWaalsContact C-N 3.33Å; V302-Q304 PolarHBondContact O-N 3.41Å; V302-R305 PolarHBondContact O-N 3.38Å; V302-R305 VanDerWaalsContact O-N 3.14Å; V302-F306 PolarHBondContact O-N 3.47Å; V302-Y311 VanDerWaalsContact C-OH 3.26Å; V302-Y311 WeakPolarHBondContact CG1-OH 3.18Å; V302-Y311 PolarHBondContact O-OH 2.88Å; V302-L314 HydrophobicContact CG1-CD1 3.74Å
303L85.7Confident86.1Confident9 Ų958 Ų585%0.04729%0.287CS..Hα-helixtrans-60.3-40.6179.7-68.9175.1000113.4E92 L290 R299 E300 F306 R307 L314 L324E92-L303 HydrophobicContact CG-CD1 4Å; L290-L303 HydrophobicContact CD2-CD1 4.4Å; L290-L303 HydrophobicContact CD2-CD2 3.81Å; L290-L303 HydrophobicContact CD2-CG 4.19Å; R299-L303 WeakPolarHBondContact O-CG 3.44Å; R299-L303 PolarHBondContact O-N 3Å; E300-L303 PolarHBondContact O-N 2.96Å; L303-F306 WeakPolarHBondContact O-CB 3.36Å; L303-F306 PolarHBondContact O-N 3.48Å; L303-R307 WeakPolarHBondContact O-CG 3.44Å; L303-R307 PolarHBondContact O-N 3.46Å; L303-L314 HydrophobicContact CD2-CD2 4.02Å; L303-L324 HydrophobicContact CD1-CD2 3.35Å; L303-L324 HydrophobicContact CD2-CD1 4.06Å; L303-L324 HydrophobicContact CD2-CD2 3.35Å; L303-L324 HydrophobicContact CD2-CG 4.34Å; L303-L324 HydrophobicContact CG-CD2 3.96Å
304Q84.7Confident86.5Confident81 Ų8154.8 Ų54.838%0.37927%0.265SS..Hα-helixtrans-62.2-46.7175.8-17357.835.500111.3E300 L301 V302 F306 R307 D308E300-Q304 WeakPolarHBondContact O-CB 3.22Å; E300-Q304 PolarHBondContact O-N 3.26Å; L301-Q304 PolarHBondContact O-N 3.16Å; V302-Q304 VanDerWaalsContact C-N 3.33Å; V302-Q304 PolarHBondContact O-N 3.41Å; Q304-F306 VanDerWaalsContact C-N 3.29Å; Q304-F306 PolarHBondContact O-N 3.36Å; Q304-R307 WeakPolarHBondContact O-CB 3.47Å; Q304-R307 PolarHBondContact O-N 3.44Å; Q304-D308 PolarHBondContact NE2-OD1 3.1Å; Q304-D308 PolarHBondContact NE2-OD2 3.4Å; Q304-D308 WeakPolarHBondContact O-CB 3.49Å; Q304-D308 PolarHBondContact O-N 3.42Å
305R88.2Confident86.8Confident113 Ų11354 Ų5443%0.42626%0.26SS..Hα-helixtrans-64.2-32.7178.1-75.1-180-180-172.41.7113.2L301 V302 G309 K310 Y311L301-R305 HydrophobicContact CD1-CG 4.31Å; L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 VanDerWaalsContact O-CG 3.29Å; L301-R305 WeakPolarHBondContact O-CG 3.37Å; L301-R305 PolarHBondContact O-N 2.93Å; V302-R305 PolarHBondContact O-N 3.38Å; V302-R305 VanDerWaalsContact O-N 3.14Å; R305-G309 PolarHBondContact O-N 3.01Å; R305-G309 VanDerWaalsContact O-N 3.17Å; R305-K310 HydrophobicContact CB-CB 4.09Å; R305-K310 HydrophobicContact CB-CG 4.23Å; R305-K310 HydrophobicContact CG-CB 4.49Å; R305-K310 HydrophobicContact CG-CG 4.28Å; R305-K310 WeakPolarHBondContact O-CB 3.37Å; R305-K310 PolarHBondContact O-N 2.91Å; R305-Y311 HydrophobicContact CB-CD1 4.17Å; R305-Y311 HydrophobicContact CB-CE1 3.55Å
306F87.9Confident87.1Confident0 Ų050.4 Ų50.40%024%0.237CC..Hα-helixtrans-65-46.3172.6-173.1-130.9000111.6R263 C264 I265 V302 L303 Q304 G309 Y311 R312 L314 V326 V329R263-F306 HydrophobicContact CB-CE2 4.03Å; R263-F306 HydrophobicContact CB-CZ 3.82Å; R263-F306 HydrophobicContact CG-CE2 4.34Å; R263-F306 HydrophobicContact CG-CZ 4.4Å; R263-F306 PolarHBondContact NE-O 3.05Å; C264-F306 WeakPolarHBondContact O-CZ 3.42Å; I265-F306 HydrophobicContact CD1-CE1 4.13Å; I265-F306 HydrophobicContact CG1-CE1 3.86Å; I265-F306 HydrophobicContact CG1-CZ 3.81Å; V302-F306 PolarHBondContact O-N 3.47Å; L303-F306 WeakPolarHBondContact O-CB 3.36Å; L303-F306 PolarHBondContact O-N 3.48Å; Q304-F306 VanDerWaalsContact C-N 3.29Å; Q304-F306 PolarHBondContact O-N 3.36Å; F306-G309 PolarHBondContact O-N 3.44Å; F306-Y311 HydrophobicContact CB-CE1 4.4Å; F306-Y311 HydrophobicContact CB-CE2 3.72Å; F306-Y311 AromaticContact CD2-CD2 3.81Å; F306-Y311 HydrophobicContact CD2-CD2 3.81Å; F306-Y311 AromaticContact CD2-CE2 3.42Å; F306-Y311 HydrophobicContact CD2-CE2 3.42Å; F306-Y311 VanDerWaalsContact CD2-CE2 3.42Å; F306-Y311 HydrophobicContact CE2-CE2 4.36Å; F306-Y311 AromaticContact CG-CE2 3.92Å; F306-Y311 HydrophobicContact CG-CE2 3.92Å; F306-R312 WeakPolarHBondContact CE2-O 3.28Å; F306-L314 HydrophobicContact CD1-CB 4.25Å; F306-L314 HydrophobicContact CD1-CD2 4.08Å; F306-L314 HydrophobicContact CD2-CB 4.12Å; F306-L314 HydrophobicContact CE1-CB 3.97Å; F306-L314 HydrophobicContact CE1-CD2 4.1Å; F306-L314 HydrophobicContact CE2-CB 3.84Å; F306-L314 HydrophobicContact CG-CB 4.31Å; F306-L314 HydrophobicContact CZ-CB 3.78Å; F306-V326 HydrophobicContact CD1-CB 4.27Å; F306-V326 HydrophobicContact CD1-CG1 3.57Å; F306-V326 HydrophobicContact CD1-CG2 3.81Å; F306-V326 HydrophobicContact CE1-CB 4.08Å; F306-V326 HydrophobicContact CE1-CG1 3.49Å; F306-V326 VanDerWaalsContact CE1-CG1 3.49Å; F306-V326 HydrophobicContact CE1-CG2 3.91Å; F306-V329 HydrophobicContact CE1-CG2 4.48Å
307R84.7Confident87.5Confident109 Ų10950.6 Ų50.641%0.41124%0.238SC..Hα-helixtrans-61.4-44.9175.4-69.4174.4-171.4149.7-2.1111.6L303 Q304 G309 D325 V326L303-R307 WeakPolarHBondContact O-CG 3.44Å; L303-R307 PolarHBondContact O-N 3.46Å; Q304-R307 WeakPolarHBondContact O-CB 3.47Å; Q304-R307 PolarHBondContact O-N 3.44Å; R307-G309 PolarHBondContact O-N 3.43Å; R307-G309 VanDerWaalsContact O-N 3.14Å; R307-D325 PolarHBondContact NE-O 3.35Å; R307-D325 PolarHBondContact NH2-O 3.25Å; R307-D325 VanDerWaalsContact NH2-O 3.12Å; R307-V326 HydrophobicContact CG-CG1 4.33Å
308D84.7Confident87.1Confident89 Ų8946.2 Ų46.248%0.47622%0.215SC..THydrogen-bonded Turntrans-69.8-6.3178.8-64.1-14.7000113.4Q304 K310Q304-D308 PolarHBondContact NE2-OD1 3.1Å; Q304-D308 PolarHBondContact NE2-OD2 3.4Å; Q304-D308 WeakPolarHBondContact O-CB 3.49Å; Q304-D308 PolarHBondContact O-N 3.42Å; D308-K310 HydrophobicContact CB-CG 4.24Å; D308-K310 PolarHBondContact O-N 3Å
309G83.7Confident86.1Confident27 Ų2744.3 Ų44.328%0.27821%0.213SC..THydrogen-bonded Turntrans71.627.2178.600000115.8R305 F306 R307 Y311R305-G309 PolarHBondContact O-N 3.01Å; R305-G309 VanDerWaalsContact O-N 3.17Å; F306-G309 PolarHBondContact O-N 3.44Å; R307-G309 PolarHBondContact O-N 3.43Å; R307-G309 VanDerWaalsContact O-N 3.14Å; G309-Y311 PolarHBondContact O-N 3.27Å
310K85.5Confident85Confident156 Ų15643.7 Ų43.768%0.67821%0.211SC*.SBendtrans-69.6-19.1173.6-59.3-54.9-177.9-172.70112.6R305 D308R305-K310 HydrophobicContact CB-CB 4.09Å; R305-K310 HydrophobicContact CB-CG 4.23Å; R305-K310 HydrophobicContact CG-CB 4.49Å; R305-K310 HydrophobicContact CG-CG 4.28Å; R305-K310 WeakPolarHBondContact O-CB 3.37Å; R305-K310 PolarHBondContact O-N 2.91Å; D308-K310 HydrophobicContact CB-CG 4.24Å; D308-K310 PolarHBondContact O-N 3Å
311Y86.5Confident83.8Confident8 Ų840 Ų403%0.03119%0.194CC..  trans-153.1158.8171.656.5-93000109.8D286 H288 V302 R305 F306 G309 T313 L314D286-Y311 WeakPolarHBondContact OD1-CA 3.37Å; D286-Y311 WeakPolarHBondContact OD1-CB 3.48Å; H288-Y311 HydrophobicContact CB-CD2 4.41Å; H288-Y311 HydrophobicContact CB-CE1 4.19Å; H288-Y311 HydrophobicContact CB-CE2 3.86Å; H288-Y311 AromaticContact CD2-CD1 3.18Å; H288-Y311 WeakPolarHBondContact CD2-CD1 3.46Å; H288-Y311 AromaticContact CD2-CD2 3.9Å; H288-Y311 AromaticContact CD2-CE1 3.28Å; H288-Y311 WeakPolarHBondContact CD2-CE1 3.28Å; H288-Y311 AromaticContact CD2-CG 3.48Å; H288-Y311 VanDerWaalsContact CD2-CG 3.48Å; H288-Y311 AromaticContact CD2-CZ 3.68Å; H288-Y311 AromaticContact CG-CE1 3.84Å; H288-Y311 AromaticContact CG-CZ 3.89Å; H288-Y311 AromaticContact NE2-CD1 3.73Å; H288-Y311 AromaticContact NE2-CE1 3.95Å; V302-Y311 VanDerWaalsContact C-OH 3.26Å; V302-Y311 WeakPolarHBondContact CG1-OH 3.18Å; V302-Y311 PolarHBondContact O-OH 2.88Å; R305-Y311 HydrophobicContact CB-CD1 4.17Å; R305-Y311 HydrophobicContact CB-CE1 3.55Å; F306-Y311 HydrophobicContact CB-CE1 4.4Å; F306-Y311 HydrophobicContact CB-CE2 3.72Å; F306-Y311 AromaticContact CD2-CD2 3.81Å; F306-Y311 HydrophobicContact CD2-CD2 3.81Å; F306-Y311 AromaticContact CD2-CE2 3.42Å; F306-Y311 HydrophobicContact CD2-CE2 3.42Å; F306-Y311 VanDerWaalsContact CD2-CE2 3.42Å; F306-Y311 HydrophobicContact CE2-CE2 4.36Å; F306-Y311 AromaticContact CG-CE2 3.92Å; F306-Y311 HydrophobicContact CG-CE2 3.92Å; G309-Y311 PolarHBondContact O-N 3.27Å; Y311-T313 VanDerWaalsContact CD2-O 3.29Å; Y311-T313 WeakPolarHBondContact CD2-O 3.45Å; Y311-T313 WeakPolarHBondContact CE2-O 3.35Å; Y311-L314 HydrophobicContact CE2-CD1 4.37Å
312R87.6Confident82.8Confident29 Ų2937 Ų3711%0.10918%0.177CC..SBendtrans-92.2-27.5-174.4-64-174.7-133.1-159.80.4114.1G259 R263 C264 D286 F306 E401G259-R312 PolarHBondContact O-NH1 3.13Å; R263-R312 WeakPolarHBondContact CA-O 3.48Å; C264-R312 PolarHBondContact N-O 2.93Å; D286-R312 PolarHBondContact OD1-N 2.93Å; D286-R312 WeakPolarHBondContact OD2-CD 3.36Å; D286-R312 VanDerWaalsContact OD2-CG 3.27Å; D286-R312 WeakPolarHBondContact OD2-CG 3.47Å; D286-R312 IonicContact OD2-CZ 3.72Å; D286-R312 IonicContact OD2-NE 3.7Å; D286-R312 PolarHBondContact OD2-NE 3.38Å; F306-R312 WeakPolarHBondContact CE2-O 3.28Å; R312-E401 IonicContact CZ-OE1 3.58Å; R312-E401 VanDerWaalsContact CZ-OE1 3.31Å; R312-E401 IonicContact NH1-OE1 2.8Å; R312-E401 PolarHBondContact NH1-OE1 3.1Å; R312-E401 IonicContact NH1-OE2 3.48Å; R312-E401 IonicContact NH2-OE1 3.5Å; R312-E401 PolarHBondContact NH2-OE1 3.14Å
313T92.2Very high81.4Confident4 Ų436.8 Ų36.83%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-118.8127.7-169-55.10000113.1I253 C264 V266 M283 D286 C287 H288 Y311I253-T313 HydrophobicContact CD1-CG2 3.88Å; C264-T313 HydrophobicContact CB-CG2 4.49Å; C264-T313 WeakPolarHBondContact O-CA 3.29Å; V266-T313 HydrophobicContact CG2-CG2 3.78Å; M283-T313 HydrophobicContact CE-CG2 4.11Å; D286-T313 WeakPolarHBondContact O-CB 3.34Å; D286-T313 PolarHBondContact O-N 3.46Å; D286-T313 VanDerWaalsContact O-N 3.13Å; C287-T313 VanDerWaalsContact CA-O 3.23Å; C287-T313 WeakPolarHBondContact CA-O 3.23Å; C287-T313 HydrophobicContact CB-CG2 4.02Å; H288-T313 PolarHBondContact N-O 2.79Å; Y311-T313 VanDerWaalsContact CD2-O 3.29Å; Y311-T313 WeakPolarHBondContact CD2-O 3.45Å; Y311-T313 WeakPolarHBondContact CE2-O 3.35Å
314L92.7Very high80.5Confident0 Ų036.4 Ų36.40%017%0.174CC..EExtended strand (participates in β ladder)trans-109112.1170.4-174.171.2000110.1C264 I265 V266 L290 V302 L303 F306 Y311 L324C264-L314 PolarHBondContact O-N 3.1Å; I265-L314 CarbonylContact C-O 3.54Å; I265-L314 WeakPolarHBondContact CA-O 3.42Å; I265-L314 HydrophobicContact CG1-CB 4.44Å; V266-L314 PolarHBondContact N-O 3.49Å; L290-L314 HydrophobicContact CB-CD1 4.04Å; L290-L314 HydrophobicContact CD2-CD2 4.41Å; V302-L314 HydrophobicContact CG1-CD1 3.74Å; L303-L314 HydrophobicContact CD2-CD2 4.02Å; F306-L314 HydrophobicContact CD1-CB 4.25Å; F306-L314 HydrophobicContact CD1-CD2 4.08Å; F306-L314 HydrophobicContact CD2-CB 4.12Å; F306-L314 HydrophobicContact CE1-CB 3.97Å; F306-L314 HydrophobicContact CE1-CD2 4.1Å; F306-L314 HydrophobicContact CE2-CB 3.84Å; F306-L314 HydrophobicContact CG-CB 4.31Å; F306-L314 HydrophobicContact CZ-CB 3.78Å; Y311-L314 HydrophobicContact CE2-CD1 4.37Å; L314-L324 HydrophobicContact CD2-CD1 3.82Å
315L93.7Very high79.6Confident0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-85.2125.1170.6-74.6157.9000108.9V266 L277 C287 H288 V289 L290V266-L315 HydrophobicContact CB-CD2 3.62Å; V266-L315 HydrophobicContact CB-CG 4.37Å; V266-L315 HydrophobicContact CG1-CD2 3.57Å; V266-L315 HydrophobicContact CG2-CD2 4.32Å; V266-L315 CarbonylContact O-C 3.59Å; V266-L315 WeakPolarHBondContact O-CA 3.41Å; L277-L315 HydrophobicContact CB-CD1 4.39Å; L277-L315 HydrophobicContact CB-CD2 4.2Å; L277-L315 HydrophobicContact CD1-CD2 4.27Å; C287-L315 HydrophobicContact CB-CD1 4.06Å; H288-L315 PolarHBondContact O-N 3.41Å; V289-L315 CarbonylContact C-O 3.44Å; V289-L315 VanDerWaalsContact CA-O 3.28Å; V289-L315 WeakPolarHBondContact CA-O 3.22Å; V289-L315 HydrophobicContact CG2-CB 4.11Å; V289-L315 HydrophobicContact CG2-CD1 4.32Å; L290-L315 PolarHBondContact N-O 2.89Å
316T92.5Very high78.6Confident0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-149.2153.2-171.5-172.30000113.4I265 V266 F267 C268 L290 A321I265-T316 HydrophobicContact CG2-CG2 3.56Å; V266-T316 PolarHBondContact O-N 3.48Å; F267-T316 CarbonylContact C-O 3.56Å; F267-T316 VanDerWaalsContact CA-O 3.31Å; F267-T316 WeakPolarHBondContact CA-O 3.39Å; F267-T316 HydrophobicContact CD1-CG2 4Å; F267-T316 HydrophobicContact CE1-CG2 4.07Å; F267-T316 HydrophobicContact CG-CG2 4.42Å; C268-T316 PolarHBondContact N-O 2.84Å; L290-T316 WeakPolarHBondContact O-CA 3.37Å; L290-T316 PolarHBondContact O-OG1 3.41Å; L290-T316 VanDerWaalsContact O-OG1 3.06Å; T316-A321 HydrophobicContact CG2-CB 3.44Å; T316-A321 VanDerWaalsContact CG2-CB 3.44Å; T316-A321 WeakPolarHBondContact OG1-CB 3.3Å; T316-A321 PolarHBondContact OG1-N 2.8Å
317T89.1Confident77.5Confident13 Ų1332.8 Ų32.88%0.0817%0.17CC..EExtended strand (participates in β ladder)trans-94.2162.2168.965.60000110.9C268 K271 L290 H291 V319 A320 A321C268-T317 WeakPolarHBondContact O-CA 3.49Å; K271-T317 HydrophobicContact CB-CG2 4.42Å; L290-T317 PolarHBondContact O-N 3.35Å; H291-T317 HydrophobicContact CB-CG2 3.94Å; T317-V319 VanDerWaalsContact C-N 3.26Å; T317-V319 PolarHBondContact O-N 2.87Å; T317-A320 PolarHBondContact O-N 3.18Å; T317-A321 PolarHBondContact O-N 3.12Å
318N75.7Confident76.7Confident26 Ų2631.7 Ų31.714%0.13917%0.172CC..Hα-helixtrans-54.5-43.7-177.6-54.4-19.5000112.9A320 A321 R322 D343 R347N318-A320 PolarHBondContact O-N 3.36Å; N318-A321 PolarHBondContact O-N 3.47Å; N318-R322 WeakPolarHBondContact O-CD 3.46Å; N318-R322 VanDerWaalsContact O-CG 3.25Å; N318-R322 WeakPolarHBondContact O-CG 3.28Å; N318-R322 PolarHBondContact O-N 2.91Å; N318-D343 PolarHBondContact ND2-OD2 2.95Å; N318-R347 PolarHBondContact ND2-NH2 3.11Å; N318-R347 PolarHBondContact OD1-NE 3.34Å; N318-R347 PolarHBondContact OD1-NH2 3.01Å
319V67.1Low76.9Confident82 Ų8227.9 Ų27.950%0.49715%0.152SC..Hα-helixtrans-60.4-39.8179.9-1800000110.4T317T317-V319 VanDerWaalsContact C-N 3.26Å; T317-V319 PolarHBondContact O-N 2.87Å
320A62.8Low77.3Confident1 Ų128.3 Ų28.31%0.00815%0.148CC..Hα-helixtrans-82.7-19.3-175.400000114.3L290 R299 T317 N318L290-A320 HydrophobicContact CD2-CB 4.39Å; L290-A320 WeakPolarHBondContact CD2-O 3.28Å; L290-A320 HydrophobicContact CG-CB 4.1Å; L290-A320 WeakPolarHBondContact O-CB 3.21Å; R299-A320 PolarHBondContact NH2-O 3.42Å; T317-A320 PolarHBondContact O-N 3.18Å; N318-A320 PolarHBondContact O-N 3.36Å
321A60Low77.7Confident2 Ų220.9 Ų20.92%0.01712%0.116CC..Hα-helixtrans-96.6-5.3179.700000115.9F267 T316 T317 N318 L324F267-A321 HydrophobicContact CD1-CB 4.09Å; F267-A321 HydrophobicContact CE1-CB 3.19Å; F267-A321 HydrophobicContact CZ-CB 3.71Å; T316-A321 HydrophobicContact CG2-CB 3.44Å; T316-A321 VanDerWaalsContact CG2-CB 3.44Å; T316-A321 WeakPolarHBondContact OG1-CB 3.3Å; T316-A321 PolarHBondContact OG1-N 2.8Å; T317-A321 PolarHBondContact O-N 3.12Å; N318-A321 PolarHBondContact O-N 3.47Å; A321-L324 VanDerWaalsContact CA-CD1 3.43Å; A321-L324 HydrophobicContact CB-CD1 3.78Å; A321-L324 HydrophobicContact CB-CG 4.38Å; A321-L324 VanDerWaalsContact O-CB 3.28Å; A321-L324 WeakPolarHBondContact O-CB 3.39Å; A321-L324 WeakPolarHBondContact O-CG 3.43Å; A321-L324 PolarHBondContact O-N 3.17Å
322R65.8Low78.1Confident22 Ų2220.5 Ų20.58%0.08311%0.114CC..THydrogen-bonded Turntrans-75.3139.7176.3-77164.2-177.3144.3-2.4111.1T90 R165 N318 L324 D343T90-R322 HydrophobicContact CG2-CB 3.84Å; T90-R322 PolarHBondContact OG1-O 3.1Å; T90-R322 VanDerWaalsContact OG1-O 3.12Å; R165-R322 VanDerWaalsContact NE-CD 3.29Å; N318-R322 WeakPolarHBondContact O-CD 3.46Å; N318-R322 VanDerWaalsContact O-CG 3.25Å; N318-R322 WeakPolarHBondContact O-CG 3.28Å; N318-R322 PolarHBondContact O-N 2.91Å; R322-L324 PolarHBondContact O-N 2.86Å; R322-D343 IonicContact CZ-OD1 2.65Å; R322-D343 IonicContact NE-OD1 2.71Å; R322-D343 IonicContact NH2-OD1 3.55Å; R322-D343 PolarHBondContact NH2-OD1 3Å; R322-D343 IonicContact NH2-OD2 3.79Å; R322-D343 PolarHBondContact NH2-OD2 3.13Å
323G59.5Low78.5Confident1 Ų119.1 Ų19.11%0.0111%0.109CC..THydrogen-bonded Turntrans67.36.7-169.400000114.8E92 D325E92-G323 CarbonylContact C-O 3.48Å; E92-G323 WeakPolarHBondContact CB-O 3.49Å; G323-D325 PolarHBondContact O-N 2.88Å
324L66.7Low78.7Confident2 Ų219 Ų191%0.0111%0.108CC..  trans-68.7106.9172.1-71-171.8000109.7E92 L290 L303 L314 A321 R322 V326 R350E92-L324 HydrophobicContact CB-CD2 4.38Å; E92-L324 HydrophobicContact CG-CD2 4.01Å; L290-L324 HydrophobicContact CD2-CD1 4.04Å; L290-L324 HydrophobicContact CD2-CD2 4.16Å; L303-L324 HydrophobicContact CD1-CD2 3.35Å; L303-L324 HydrophobicContact CD2-CD1 4.06Å; L303-L324 HydrophobicContact CD2-CD2 3.35Å; L303-L324 HydrophobicContact CD2-CG 4.34Å; L303-L324 HydrophobicContact CG-CD2 3.96Å; L314-L324 HydrophobicContact CD2-CD1 3.82Å; A321-L324 VanDerWaalsContact CA-CD1 3.43Å; A321-L324 HydrophobicContact CB-CD1 3.78Å; A321-L324 HydrophobicContact CB-CG 4.38Å; A321-L324 VanDerWaalsContact O-CB 3.28Å; A321-L324 WeakPolarHBondContact O-CB 3.39Å; A321-L324 WeakPolarHBondContact O-CG 3.43Å; A321-L324 PolarHBondContact O-N 3.17Å; R322-L324 PolarHBondContact O-N 2.86Å; L324-V326 HydrophobicContact CB-CG2 4.35Å; L324-R350 PolarHBondContact O-NH1 2.84Å
325D64.8Low78.9Confident45 Ų4519 Ų1924%0.24111%0.108CC..  trans-88.496.5161-15923.9000109.9Q96 R307 G323 R353Q96-D325 HydrophobicContact CB-CB 4.43Å; Q96-D325 HydrophobicContact CG-CB 3.84Å; Q96-D325 PolarHBondContact NE2-OD2 3.23Å; R307-D325 PolarHBondContact NE-O 3.35Å; R307-D325 PolarHBondContact NH2-O 3.25Å; R307-D325 VanDerWaalsContact NH2-O 3.12Å; G323-D325 PolarHBondContact O-N 2.88Å; D325-R353 IonicContact OD1-CZ 3.46Å; D325-R353 IonicContact OD1-NH1 2.66Å; D325-R353 PolarHBondContact OD1-NH1 3.47Å
326V67.6Low78.9Confident3 Ų320.3 Ų20.32%0.01811%0.114CC..  trans-120.2101168.7-169.30000106.5F306 R307 L324 V329F306-V326 HydrophobicContact CD1-CB 4.27Å; F306-V326 HydrophobicContact CD1-CG1 3.57Å; F306-V326 HydrophobicContact CD1-CG2 3.81Å; F306-V326 HydrophobicContact CE1-CB 4.08Å; F306-V326 HydrophobicContact CE1-CG1 3.49Å; F306-V326 VanDerWaalsContact CE1-CG1 3.49Å; F306-V326 HydrophobicContact CE1-CG2 3.91Å; R307-V326 HydrophobicContact CG-CG1 4.33Å; L324-V326 HydrophobicContact CB-CG2 4.35Å; V326-V329 HydrophobicContact CB-CG2 4.05Å; V326-V329 HydrophobicContact CG1-CG2 4.06Å
327P63.6Low79Confident69 Ų6920.7 Ų20.745%0.44812%0.116SC..THydrogen-bonded Turntrans-63.1146.7166.825.2-30.6000109
328N69.3Low79.1Confident87 Ų8720.2 Ų20.247%0.46511%0.114SC..THydrogen-bonded Turntrans78.234.2173.5-41.2-51.7000116.8R263R263-N328 WeakPolarHBondContact CB-O 3.44Å
329V88.6Confident79.6Confident9 Ų926.5 Ų26.56%0.05514%0.135CC..  trans-82.3115.7166.1-176.90000109.6R263 I265 F306 V326 L331 V332 T351R263-V329 HydrophobicContact CB-CG2 4.5Å; I265-V329 HydrophobicContact CB-CG1 4.47Å; I265-V329 HydrophobicContact CD1-CG1 4.35Å; I265-V329 HydrophobicContact CD1-CG2 3.69Å; I265-V329 HydrophobicContact CG1-CG1 4.02Å; I265-V329 HydrophobicContact CG1-CG2 3.97Å; F306-V329 HydrophobicContact CE1-CG2 4.48Å; V326-V329 HydrophobicContact CB-CG2 4.05Å; V326-V329 HydrophobicContact CG1-CG2 4.06Å; V329-L331 VanDerWaalsContact CG1-O 3.3Å; V329-L331 WeakPolarHBondContact CG1-O 3.24Å; V329-V332 HydrophobicContact CG1-CG2 4Å; V329-T351 VanDerWaalsContact O-CB 3.25Å; V329-T351 WeakPolarHBondContact O-CB 3.41Å; V329-T351 PolarHBondContact O-OG1 3.45Å
330D91.1Very high80.3Confident35 Ų3527 Ų2719%0.18714%0.135CC..  trans-87.2-31.4177.9-49.2-81.6000111.6S262 R263 T351 R356 T359S262-D330 WeakPolarHBondContact CA-OD2 3.28Å; S262-D330 WeakPolarHBondContact CB-OD2 3.32Å; S262-D330 PolarHBondContact OG-OD2 3.33Å; R263-D330 PolarHBondContact N-OD2 2.84Å; R263-D330 PolarHBondContact O-N 2.94Å; D330-T351 PolarHBondContact O-OG1 3.38Å; D330-R356 IonicContact OD1-NH2 3.4Å; D330-R356 PolarHBondContact OD1-NH2 2.82Å; D330-T359 PolarHBondContact O-N 3.01Å
331L94.6Very high81.2Confident1 Ų127.9 Ų27.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-130.4125.9-174.6-176.963.2000111.9V252 I253 Y256 R263 C264 I265 V329 I333 T359 I361V252-L331 HydrophobicContact CG1-CD2 4.48Å; I253-L331 HydrophobicContact CG1-CD2 4.46Å; Y256-L331 HydrophobicContact CG-CD1 4.41Å; R263-L331 PolarHBondContact O-N 2.69Å; C264-L331 CarbonylContact C-O 3.6Å; C264-L331 WeakPolarHBondContact CA-O 3.25Å; C264-L331 HydrophobicContact CB-CB 4.3Å; C264-L331 HydrophobicContact CB-CD2 4.47Å; I265-L331 PolarHBondContact N-O 2.98Å; V329-L331 VanDerWaalsContact CG1-O 3.3Å; V329-L331 WeakPolarHBondContact CG1-O 3.24Å; L331-I333 HydrophobicContact CD1-CG1 4.29Å; L331-I333 HydrophobicContact CD2-CD1 3.88Å; L331-I333 HydrophobicContact CD2-CG1 4.02Å; L331-I333 HydrophobicContact CG-CD1 4.34Å; L331-I333 HydrophobicContact CG-CG1 3.91Å; L331-T359 CarbonylContact C-O 3.57Å; L331-T359 WeakPolarHBondContact CA-O 3.39Å; L331-T359 HydrophobicContact CD1-CG2 4.06Å; L331-I361 HydrophobicContact CD1-CD1 3.8Å; L331-I361 HydrophobicContact CD1-CG1 3.86Å
332V94.9Very high82Confident0 Ų030 Ų300%015%0.149CC..EExtended strand (participates in β ladder)trans-110.1129165.6173.70000108.4I265 F267 V329 Q334 R347 R350 T351 T359 S360 I361I265-V332 CarbonylContact O-C 3.6Å; I265-V332 WeakPolarHBondContact O-CA 3.29Å; F267-V332 HydrophobicContact CD2-CG1 3.81Å; F267-V332 HydrophobicContact CE2-CG1 3.75Å; V329-V332 HydrophobicContact CG1-CG2 4Å; V332-Q334 HydrophobicContact CG1-CG 4.31Å; V332-R347 WeakPolarHBondContact CG1-O 3.46Å; V332-R350 HydrophobicContact CG2-CB 3.85Å; V332-T351 HydrophobicContact CB-CG2 4.31Å; V332-T351 HydrophobicContact CG2-CG2 3.81Å; V332-T359 PolarHBondContact N-O 2.83Å; V332-S360 CarbonylContact O-C 3.55Å; V332-S360 VanDerWaalsContact O-CA 3.29Å; V332-S360 WeakPolarHBondContact O-CA 3.3Å; V332-I361 PolarHBondContact O-N 3.39Å
333I96.8Very high82.9Confident0 Ų029.5 Ų29.50%015%0.149CC..EExtended strand (participates in β ladder)trans-115.8132.6171.5-50.8177.5000108.5L249 V252 I253 I265 V266 F267 L331 I361 F363L249-I333 HydrophobicContact CD2-CB 4.27Å; L249-I333 HydrophobicContact CD2-CD1 3.84Å; L249-I333 HydrophobicContact CD2-CG2 3.62Å; V252-I333 HydrophobicContact CB-CD1 4.45Å; V252-I333 HydrophobicContact CG1-CD1 3.73Å; V252-I333 HydrophobicContact CG1-CG1 4.5Å; I253-I333 HydrophobicContact CD1-CD1 4.38Å; I253-I333 HydrophobicContact CG1-CD1 3.71Å; I265-I333 PolarHBondContact O-N 2.7Å; V266-I333 CarbonylContact C-O 3.58Å; V266-I333 WeakPolarHBondContact CA-O 3.28Å; V266-I333 HydrophobicContact CG1-CB 4.42Å; V266-I333 HydrophobicContact CG2-CB 4.22Å; V266-I333 HydrophobicContact CG2-CD1 4.3Å; F267-I333 PolarHBondContact N-O 3.5Å; L331-I333 HydrophobicContact CD1-CG1 4.29Å; L331-I333 HydrophobicContact CD2-CD1 3.88Å; L331-I333 HydrophobicContact CD2-CG1 4.02Å; L331-I333 HydrophobicContact CG-CD1 4.34Å; L331-I333 HydrophobicContact CG-CG1 3.91Å; I333-I361 CarbonylContact C-O 3.56Å; I333-I361 WeakPolarHBondContact CA-O 3.36Å; I333-F363 HydrophobicContact CG2-CD1 3.98Å; I333-F363 HydrophobicContact CG2-CE1 3.8Å; I333-F363 HydrophobicContact CG2-CG 4.45Å; I333-F363 HydrophobicContact CG2-CZ 4.12Å
334Q96.5Very high84.2Confident0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-110.6114.4172.9-55.3176.454.200106.9F267 V332 H336 Y344 R347 S360 I361 F363F267-Q334 HydrophobicContact CB-CG 4.49Å; F267-Q334 HydrophobicContact CD2-CG 4.49Å; V332-Q334 HydrophobicContact CG1-CG 4.31Å; Q334-H336 PolarHBondContact O-N 3.48Å; Q334-H336 VanDerWaalsContact O-N 3.12Å; Q334-Y344 VanDerWaalsContact NE2-CD2 3.28Å; Q334-R347 HydrophobicContact CG-CB 4.27Å; Q334-S360 PolarHBondContact NE2-OG 2.85Å; Q334-I361 PolarHBondContact N-O 3.26Å; Q334-F363 WeakPolarHBondContact O-CB 3.23Å; Q334-F363 PolarHBondContact O-N 3.25Å
335C96.2Very high85Confident1 Ų130 Ų301%0.00715%0.151CC..SBendtrans-65.4-16.9-175.7-68.60000113.4R245 V266 F267 F363R245-C335 PolarHBondContact NH2-O 2.85Å; V266-C335 WeakPolarHBondContact CG1-SG 3.49Å; F267-C335 WeakPolarHBondContact O-CB 3.28Å; F267-C335 PolarHBondContact O-N 2.83Å; C335-F363 WeakPolarHBondContact O-CB 2.98Å
336H93.8Very high85.6Confident28 Ų2828.6 Ų28.613%0.1314%0.143CC..SBendtrans-149.3154.1175.2-69.7-90.3000109.7R245 Q334 F363 E368R245-H336 VanDerWaalsContact CZ-NE2 3.25Å; R245-H336 PolarHBondContact NH1-CD2 3.03Å; R245-H336 PolarHBondContact NH1-NE2 2.86Å; R245-H336 PolarHBondContact NH2-CE1 2.81Å; R245-H336 PolarHBondContact NH2-NE2 2.76Å; Q334-H336 PolarHBondContact O-N 3.48Å; Q334-H336 VanDerWaalsContact O-N 3.12Å; H336-F363 CarbonylContact C-O 3.58Å; H336-F363 WeakPolarHBondContact CA-O 3.49Å; H336-E368 IonicContact CE1-OE1 3.19Å; H336-E368 IonicContact CG-OE1 3.83Å; H336-E368 IonicContact ND1-OE1 3.67Å; H336-E368 PolarHBondContact ND1-OE1 3.32Å; H336-E368 IonicContact ND1-OE2 3.57Å; H336-E368 PolarHBondContact ND1-OE2 3.18Å
337P94.8Very high86.6Confident7 Ų729.2 Ų29.25%0.04515%0.145CC..  trans-62.1132.9168.7-15.231.3000109.4C362 F363 E368 M371 L372 I375P337-C362 VanDerWaalsContact CA-SG 3.55Å; P337-F363 VanDerWaalsContact CD-O 3.28Å; P337-F363 WeakPolarHBondContact CD-O 3.41Å; P337-E368 HydrophobicContact CG-CB 4.12Å; P337-M371 HydrophobicContact CB-CB 4.32Å; P337-M371 HydrophobicContact CB-CG 3.98Å; P337-M371 HydrophobicContact CB-SD 3.81Å; P337-L372 HydrophobicContact CB-CD1 4.48Å; P337-L372 HydrophobicContact CG-CD1 4.25Å; P337-I375 HydrophobicContact CB-CD1 3.8Å
338P90.4Very high87.8Confident4 Ų426 Ų263%0.02612%0.123CC..  trans-64.4151171.824.5-32.3000111.4D340 D343 Y344 M371 I375P338-D340 VanDerWaalsContact C-N 3.32Å; P338-D343 HydrophobicContact CB-CB 3.61Å; P338-D343 HydrophobicContact CG-CB 4.34Å; P338-Y344 VanDerWaalsContact CG-CB 3.49Å; P338-Y344 HydrophobicContact CG-CD2 4.12Å; P338-Y344 HydrophobicContact CG-CG 4.31Å; P338-M371 VanDerWaalsContact O-SD 3.36Å; P338-I375 HydrophobicContact CG-CD1 3.9Å
339R86.3Confident88.4Confident157 Ų15722 Ų2259%0.59210%0.103SC*.SBendtrans-67.1-37.7174.6-60.1-177.7-169-179.14.4111.8E269 M371E269-R339 IonicContact OE1-CZ 2.95Å; E269-R339 IonicContact OE1-NE 3.35Å; E269-R339 PolarHBondContact OE1-NE 3.05Å; E269-R339 IonicContact OE1-NH2 2.75Å; E269-R339 PolarHBondContact OE1-NH2 3.28Å; R339-M371 HydrophobicContact CG-CE 4.42Å
340D81.9Confident88.3Confident93 Ų9322.2 Ų22.250%0.49710%0.103SC..SBendtrans-105.9140.3-176-53.7-58.2000110.9P338 E342 D343 Y344P338-D340 VanDerWaalsContact C-N 3.32Å; D340-E342 VanDerWaalsContact C-N 3.26Å; D340-E342 PolarHBondContact O-N 3.36Å; D340-D343 PolarHBondContact O-N 2.8Å; D340-Y344 PolarHBondContact O-N 2.84Å
341I82.3Confident88.1Confident20 Ų2020.6 Ų20.610%0.10310%0.095CC..Hα-helixtrans-65.4-33.2-179-17057.4000112.3D343 Y344 I345 I375 M378 A379I341-D343 VanDerWaalsContact C-N 3.33Å; I341-D343 PolarHBondContact O-N 3.4Å; I341-Y344 WeakPolarHBondContact O-CB 3.17Å; I341-Y344 PolarHBondContact O-N 3.04Å; I341-Y344 VanDerWaalsContact O-N 3.13Å; I341-I345 HydrophobicContact CG1-CD1 4.01Å; I341-I345 WeakPolarHBondContact O-CD1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.39Å; I341-I345 PolarHBondContact O-N 3.28Å; I341-I375 HydrophobicContact CD1-CB 4.09Å; I341-I375 HydrophobicContact CD1-CG1 4.2Å; I341-I375 HydrophobicContact CD1-CG2 3.76Å; I341-M378 HydrophobicContact CB-CB 4.2Å; I341-M378 HydrophobicContact CB-CE 4.33Å; I341-M378 HydrophobicContact CD1-CB 3.99Å; I341-M378 HydrophobicContact CG1-CB 3.77Å; I341-M378 HydrophobicContact CG2-CE 3.91Å; I341-A379 HydrophobicContact CD1-CB 3.46Å; I341-A379 VanDerWaalsContact CD1-CB 3.46Å; I341-A379 HydrophobicContact CG1-CB 4.06Å
342E76.8Confident87.5Confident45 Ų4520.8 Ų20.821%0.2110%0.097CC..Hα-helixtrans-63.5-41.9179-62.4178.217200110.8T199 D340 Y344 I345 H346T199-E342 WeakPolarHBondContact CB-OE1 3.32Å; T199-E342 HydrophobicContact CG2-CG 3.92Å; T199-E342 WeakPolarHBondContact CG2-OE1 3.28Å; T199-E342 PolarHBondContact OG1-OE1 2.86Å; D340-E342 VanDerWaalsContact C-N 3.26Å; D340-E342 PolarHBondContact O-N 3.36Å; E342-Y344 VanDerWaalsContact C-N 3.27Å; E342-Y344 PolarHBondContact O-N 3.42Å; E342-I345 PolarHBondContact O-N 3.37Å; E342-H346 WeakPolarHBondContact O-CB 3.42Å; E342-H346 PolarHBondContact O-N 2.84Å; E342-H346 PolarHBondContact O-ND1 3.22Å
343D83.5Confident86.7Confident13 Ų1323.6 Ų23.67%0.0711%0.108CC..Hα-helixtrans-59.4-40.6173.7-94.76.6000111.4N318 R322 P338 D340 I341 H346 R347N318-D343 PolarHBondContact ND2-OD2 2.95Å; R322-D343 IonicContact CZ-OD1 2.65Å; R322-D343 IonicContact NE-OD1 2.71Å; R322-D343 IonicContact NH2-OD1 3.55Å; R322-D343 PolarHBondContact NH2-OD1 3Å; R322-D343 IonicContact NH2-OD2 3.79Å; R322-D343 PolarHBondContact NH2-OD2 3.13Å; P338-D343 HydrophobicContact CB-CB 3.61Å; P338-D343 HydrophobicContact CG-CB 4.34Å; D340-D343 PolarHBondContact O-N 2.8Å; I341-D343 VanDerWaalsContact C-N 3.33Å; I341-D343 PolarHBondContact O-N 3.4Å; D343-H346 PolarHBondContact O-N 3.46Å; D343-R347 VanDerWaalsContact O-CB 3.28Å; D343-R347 WeakPolarHBondContact O-CB 3.47Å; D343-R347 WeakPolarHBondContact O-CD 3.43Å; D343-R347 WeakPolarHBondContact O-CG 3.42Å; D343-R347 PolarHBondContact O-N 2.91Å; D343-R347 IonicContact OD2-NH2 3.38Å; D343-R347 PolarHBondContact OD2-NH2 2.95Å
344Y88.2Confident85.4Confident0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-62.5-48.8176.1-176.5-96.5000112.1T229 H235 Q334 P338 D340 I341 E342 H346 R347 S348 I375 I381 F383T229-Y344 HydrophobicContact CG2-CD1 4.27Å; T229-Y344 HydrophobicContact CG2-CE1 4.05Å; H235-Y344 AromaticContact CE1-CE1 4Å; H235-Y344 AromaticContact ND1-CE1 3.94Å; H235-Y344 AromaticContact ND1-CZ 3.72Å; H235-Y344 PolarHBondContact ND1-OH 3.29Å; Q334-Y344 VanDerWaalsContact NE2-CD2 3.28Å; P338-Y344 VanDerWaalsContact CG-CB 3.49Å; P338-Y344 HydrophobicContact CG-CD2 4.12Å; P338-Y344 HydrophobicContact CG-CG 4.31Å; D340-Y344 PolarHBondContact O-N 2.84Å; I341-Y344 WeakPolarHBondContact O-CB 3.17Å; I341-Y344 PolarHBondContact O-N 3.04Å; I341-Y344 VanDerWaalsContact O-N 3.13Å; E342-Y344 VanDerWaalsContact C-N 3.27Å; E342-Y344 PolarHBondContact O-N 3.42Å; Y344-H346 VanDerWaalsContact C-N 3.32Å; Y344-H346 PolarHBondContact O-N 3.15Å; Y344-R347 PolarHBondContact O-N 2.92Å; Y344-S348 WeakPolarHBondContact O-CB 3.31Å; Y344-S348 PolarHBondContact O-N 3.12Å; Y344-S348 PolarHBondContact O-OG 3.29Å; Y344-I375 HydrophobicContact CD1-CG2 3.69Å; Y344-I375 HydrophobicContact CD2-CD1 4.38Å; Y344-I375 HydrophobicContact CD2-CG2 3.91Å; Y344-I375 HydrophobicContact CE1-CG2 4.09Å; Y344-I375 HydrophobicContact CE2-CG2 4.29Å; Y344-I375 HydrophobicContact CG-CG2 3.58Å; Y344-I381 HydrophobicContact CD1-CD1 4.3Å; Y344-I381 HydrophobicContact CE1-CD1 3.32Å; Y344-I381 HydrophobicContact CE1-CG1 4.5Å; Y344-I381 VanDerWaalsContact OH-CD1 3.3Å; Y344-I381 WeakPolarHBondContact OH-CD1 3.39Å; Y344-F383 HydrophobicContact CD2-CZ 4.33Å; Y344-F383 HydrophobicContact CE1-CZ 4.33Å; Y344-F383 AromaticContact CE2-CE1 3.8Å; Y344-F383 HydrophobicContact CE2-CE1 3.8Å; Y344-F383 AromaticContact CE2-CZ 3.43Å; Y344-F383 HydrophobicContact CE2-CZ 3.43Å; Y344-F383 VanDerWaalsContact CE2-CZ 3.43Å; Y344-F383 AromaticContact CZ-CE1 3.66Å; Y344-F383 AromaticContact CZ-CZ 3.42Å; Y344-F383 VanDerWaalsContact CZ-CZ 3.42Å; Y344-F383 WeakPolarHBondContact OH-CE1 3.21Å; Y344-F383 VanDerWaalsContact OH-CZ 3.23Å; Y344-F383 WeakPolarHBondContact OH-CZ 3.23Å
345I82.4Confident84.2Confident13 Ų1334 Ų347%0.06717%0.172CC..Hα-helixtrans-59.8-45-180-67.1156.9000110K228 T229 I341 E342 S348 G349K228-I345 HydrophobicContact CB-CD1 3.41Å; K228-I345 VanDerWaalsContact CB-CD1 3.41Å; K228-I345 HydrophobicContact CB-CG1 4.03Å; K228-I345 HydrophobicContact CD-CD1 3.94Å; K228-I345 HydrophobicContact CG-CD1 4.31Å; K228-I345 VanDerWaalsContact O-CG2 3.27Å; K228-I345 WeakPolarHBondContact O-CG2 3.29Å; T229-I345 HydrophobicContact CG2-CG1 3.96Å; I341-I345 HydrophobicContact CG1-CD1 4.01Å; I341-I345 WeakPolarHBondContact O-CD1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.39Å; I341-I345 PolarHBondContact O-N 3.28Å; E342-I345 PolarHBondContact O-N 3.37Å; I345-S348 PolarHBondContact O-OG 2.86Å; I345-G349 PolarHBondContact O-N 3.14Å
346H78.6Confident83.3Confident16 Ų1640.3 Ų40.37%0.07420%0.195CC..Hα-helixtrans-69.5-36.8-179.2-65.7146000113.9E342 D343 Y344 R350E342-H346 WeakPolarHBondContact O-CB 3.42Å; E342-H346 PolarHBondContact O-N 2.84Å; E342-H346 PolarHBondContact O-ND1 3.22Å; D343-H346 PolarHBondContact O-N 3.46Å; Y344-H346 VanDerWaalsContact C-N 3.32Å; Y344-H346 PolarHBondContact O-N 3.15Å; H346-R350 PolarHBondContact O-NE 3.48Å
347R88.1Confident83Confident16 Ų1643.6 Ų43.66%0.0622%0.221CC..Hα-helixtrans-70-52.4176.4-70172-169.4-18014.6110.7F267 N318 V332 Q334 D343 Y344 G349 R350F267-R347 HydrophobicContact CD1-CG 3.66Å; F267-R347 HydrophobicContact CD2-CB 3.96Å; F267-R347 HydrophobicContact CD2-CG 3.92Å; F267-R347 HydrophobicContact CE1-CB 4.33Å; F267-R347 HydrophobicContact CE1-CG 3.59Å; F267-R347 HydrophobicContact CE2-CB 3.75Å; F267-R347 HydrophobicContact CE2-CG 3.89Å; F267-R347 HydrophobicContact CG-CB 4.35Å; F267-R347 HydrophobicContact CG-CG 3.81Å; F267-R347 HydrophobicContact CZ-CB 3.95Å; F267-R347 HydrophobicContact CZ-CG 3.73Å; N318-R347 PolarHBondContact ND2-NH2 3.11Å; N318-R347 PolarHBondContact OD1-NE 3.34Å; N318-R347 PolarHBondContact OD1-NH2 3.01Å; V332-R347 WeakPolarHBondContact CG1-O 3.46Å; Q334-R347 HydrophobicContact CG-CB 4.27Å; D343-R347 VanDerWaalsContact O-CB 3.28Å; D343-R347 WeakPolarHBondContact O-CB 3.47Å; D343-R347 WeakPolarHBondContact O-CD 3.43Å; D343-R347 WeakPolarHBondContact O-CG 3.42Å; D343-R347 PolarHBondContact O-N 2.91Å; D343-R347 IonicContact OD2-NH2 3.38Å; D343-R347 PolarHBondContact OD2-NH2 2.95Å; Y344-R347 PolarHBondContact O-N 2.92Å; R347-G349 VanDerWaalsContact C-N 3.29Å; R347-G349 PolarHBondContact O-N 3.39Å; R347-R350 WeakPolarHBondContact O-CB 3.2Å; R347-R350 VanDerWaalsContact O-CG 3.28Å; R347-R350 WeakPolarHBondContact O-CG 3.39Å; R347-R350 PolarHBondContact O-N 3.17Å; R347-R350 VanDerWaalsContact O-N 3.09Å
348S88.5Confident82.9Confident0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-64.2-34.3179.760.20000112.2Y344 I345 R350 T351Y344-S348 WeakPolarHBondContact O-CB 3.31Å; Y344-S348 PolarHBondContact O-N 3.12Å; Y344-S348 PolarHBondContact O-OG 3.29Å; I345-S348 PolarHBondContact O-OG 2.86Å; S348-R350 PolarHBondContact O-N 3.17Å; S348-R350 VanDerWaalsContact O-N 3.09Å; S348-T351 VanDerWaalsContact O-CG2 3.28Å; S348-T351 WeakPolarHBondContact O-CG2 3.14Å; S348-T351 PolarHBondContact O-N 2.66Å; S348-T351 VanDerWaalsContact O-N 3.17Å
349G83.1Confident83.1Confident4 Ų444.7 Ų44.74%0.04123%0.228CC..THydrogen-bonded Turntrans-69.22173.300000115.6I345 R347I345-G349 PolarHBondContact O-N 3.14Å; R347-G349 VanDerWaalsContact C-N 3.29Å; R347-G349 PolarHBondContact O-N 3.39Å
350R85Confident83.5Confident13 Ų1337.2 Ų37.25%0.04920%0.2CC..THydrogen-bonded Turntrans-72-21.7166.8-60.4-59.3123175.73.3112.1I265 F267 L324 V332 H346 R347 S348I265-R350 HydrophobicContact CD1-CB 4.29Å; F267-R350 HydrophobicContact CE2-CG 4.24Å; F267-R350 HydrophobicContact CZ-CG 3.94Å; L324-R350 PolarHBondContact O-NH1 2.84Å; V332-R350 HydrophobicContact CG2-CB 3.85Å; H346-R350 PolarHBondContact O-NE 3.48Å; R347-R350 WeakPolarHBondContact O-CB 3.2Å; R347-R350 VanDerWaalsContact O-CG 3.28Å; R347-R350 WeakPolarHBondContact O-CG 3.39Å; R347-R350 PolarHBondContact O-N 3.17Å; R347-R350 VanDerWaalsContact O-N 3.09Å; S348-R350 PolarHBondContact O-N 3.17Å; S348-R350 VanDerWaalsContact O-N 3.09Å
351T88Confident84.3Confident2 Ų232.8 Ų32.81%0.01218%0.176CC..SBendtrans-111.5173.4171.9-169.50000110.9V233 V329 D330 V332 S348 G358V233-T351 HydrophobicContact CG1-CG2 4.03Å; V233-T351 HydrophobicContact CG2-CG2 4.18Å; V233-T351 WeakPolarHBondContact CG2-O 3.28Å; V329-T351 VanDerWaalsContact O-CB 3.25Å; V329-T351 WeakPolarHBondContact O-CB 3.41Å; V329-T351 PolarHBondContact O-OG1 3.45Å; D330-T351 PolarHBondContact O-OG1 3.38Å; V332-T351 HydrophobicContact CB-CG2 4.31Å; V332-T351 HydrophobicContact CG2-CG2 3.81Å; S348-T351 VanDerWaalsContact O-CG2 3.28Å; S348-T351 WeakPolarHBondContact O-CG2 3.14Å; S348-T351 PolarHBondContact O-N 2.66Å; S348-T351 VanDerWaalsContact O-N 3.17Å; T351-G358 WeakPolarHBondContact OG1-CA 3.48Å
352G82.1Confident85.1Confident5 Ų531.8 Ų31.85%0.05217%0.171CC..SBendtrans64.840.4178.200000114.2S230 R356S230-G352 PolarHBondContact OG-O 3.06Å; G352-R356 CarbonylContact C-O 3.46Å; G352-R356 VanDerWaalsContact CA-O 3.24Å; G352-R356 WeakPolarHBondContact CA-O 3.34Å
353R77Confident86.1Confident59 Ų5929.7 Ų29.722%0.22316%0.161CC..  trans-91.9146.9179.8-67.9-174.9172.4-166.82.9111.2D325 D355 R356D325-R353 IonicContact OD1-CZ 3.46Å; D325-R353 IonicContact OD1-NH1 2.66Å; D325-R353 PolarHBondContact OD1-NH1 3.47Å; R353-D355 PolarHBondContact O-N 2.94Å; R353-R356 PolarHBondContact O-N 3.24Å
354A70.7Confident86.7Confident60 Ų6030 Ų3050%0.49616%0.162SC..THydrogen-bonded Turntrans50.8-133-172.600000110.4N232 R356N232-A354 PolarHBondContact ND2-O 2.78Å; N232-A354 VanDerWaalsContact ND2-O 3.1Å; A354-R356 VanDerWaalsContact C-N 3.3Å; A354-R356 PolarHBondContact O-N 2.97Å
355D70.3Confident87.1Confident159 Ų15931.6 Ų31.685%0.8517%0.172SC*.THydrogen-bonded Turntrans-897.8-177.1-53.6-39.4000113.7R353R353-D355 PolarHBondContact O-N 2.94Å
356R78.3Confident87.7Confident133 Ų13339.5 Ų39.550%0.50220%0.202SC..  trans-87.9139.4179.6-65.2-175.171.4138.1-2110.6N232 D330 G352 R353 A354N232-R356 WeakPolarHBondContact CB-O 3.27Å; D330-R356 IonicContact OD1-NH2 3.4Å; D330-R356 PolarHBondContact OD1-NH2 2.82Å; G352-R356 CarbonylContact C-O 3.46Å; G352-R356 VanDerWaalsContact CA-O 3.24Å; G352-R356 WeakPolarHBondContact CA-O 3.34Å; R353-R356 PolarHBondContact O-N 3.24Å; A354-R356 VanDerWaalsContact C-N 3.3Å; A354-R356 PolarHBondContact O-N 2.97Å
357S87.6Confident88.5Confident96 Ų9648 Ų4867%0.67124%0.239SC*.  trans-77.3151.1166.6590000111.1N232N232-S357 CarbonylContact O-C 3.53Å; N232-S357 WeakPolarHBondContact O-CA 3.45Å
358G91.3Very high88.8Confident3 Ų348.8 Ų48.83%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-138157.3-179.500000112.2N232 V233 T234 T351N232-G358 PolarHBondContact O-N 3.01Å; V233-G358 CarbonylContact C-O 3.55Å; V233-G358 WeakPolarHBondContact CA-O 3.32Å; T234-G358 PolarHBondContact N-O 3.49Å; T351-G358 WeakPolarHBondContact OG1-CA 3.48Å
359T95.2Very high89.1Confident31 Ų3155.8 Ų55.819%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-119.1129.2173.2-56.90000110.7L236 Y256 D330 L331 V332 I361L236-T359 HydrophobicContact CD1-CG2 3.69Å; L236-T359 HydrophobicContact CG-CG2 4.15Å; Y256-T359 HydrophobicContact CD1-CG2 4.01Å; Y256-T359 HydrophobicContact CE1-CG2 4.13Å; D330-T359 PolarHBondContact O-N 3.01Å; L331-T359 CarbonylContact C-O 3.57Å; L331-T359 WeakPolarHBondContact CA-O 3.39Å; L331-T359 HydrophobicContact CD1-CG2 4.06Å; V332-T359 PolarHBondContact N-O 2.83Å; T359-I361 HydrophobicContact CG2-CD1 4.27Å; T359-I361 HydrophobicContact CG2-CG1 3.85Å
360S95.6Very high89.6Confident0 Ų059.9 Ų59.90%030%0.297CS..EExtended strand (participates in β ladder)trans-115.5118.8171.4174.20000109.7T234 L236 V332 Q334T234-S360 PolarHBondContact O-N 3.22Å; L236-S360 PolarHBondContact N-O 2.63Å; V332-S360 CarbonylContact O-C 3.55Å; V332-S360 VanDerWaalsContact O-CA 3.29Å; V332-S360 WeakPolarHBondContact O-CA 3.3Å; Q334-S360 PolarHBondContact NE2-OG 2.85Å
361I98Very high90.1Very high0 Ų062 Ų620%031%0.308CS..EExtended strand (participates in β ladder)trans-110.1120.1179.1-48.9-172.9000109.3L236 L238 V252 Y256 L331 V332 I333 Q334 T359 F363 I386L236-I361 HydrophobicContact CB-CB 4.5Å; L236-I361 HydrophobicContact CB-CG1 4.11Å; L236-I361 HydrophobicContact CB-CG2 4.33Å; L236-I361 HydrophobicContact CD1-CD1 4.18Å; L236-I361 HydrophobicContact CD1-CG1 4.13Å; L236-I361 HydrophobicContact CG-CG1 4.49Å; L236-I361 CarbonylContact O-C 3.6Å; L236-I361 WeakPolarHBondContact O-CA 3.06Å; L238-I361 HydrophobicContact CB-CG2 4.11Å; V252-I361 HydrophobicContact CG1-CD1 3.6Å; Y256-I361 HydrophobicContact CD1-CD1 4.03Å; Y256-I361 HydrophobicContact CD2-CD1 3.95Å; Y256-I361 HydrophobicContact CE1-CD1 3.98Å; Y256-I361 HydrophobicContact CE2-CD1 3.9Å; Y256-I361 HydrophobicContact CG-CD1 4.02Å; L331-I361 HydrophobicContact CD1-CD1 3.8Å; L331-I361 HydrophobicContact CD1-CG1 3.86Å; V332-I361 PolarHBondContact O-N 3.39Å; I333-I361 CarbonylContact C-O 3.56Å; I333-I361 WeakPolarHBondContact CA-O 3.36Å; Q334-I361 PolarHBondContact N-O 3.26Å; T359-I361 HydrophobicContact CG2-CD1 4.27Å; T359-I361 HydrophobicContact CG2-CG1 3.85Å; I361-F363 HydrophobicContact CG2-CD1 4.02Å; I361-F363 HydrophobicContact CG2-CE1 3.89Å; I361-I386 HydrophobicContact CD1-CD1 4.36Å; I361-I386 HydrophobicContact CG2-CD1 4.28Å
362C97.8Very high90.4Very high0 Ų061.9 Ų61.90%031%0.308CS..EExtended strand (participates in β ladder)trans-98.9114.6174-166.20000110.1L236 A237 L238 P337 L372 F383L236-C362 PolarHBondContact O-N 3.44Å; A237-C362 VanDerWaalsContact CA-O 3.31Å; A237-C362 WeakPolarHBondContact CA-O 3.25Å; L238-C362 PolarHBondContact N-O 3.1Å; P337-C362 VanDerWaalsContact CA-SG 3.55Å; C362-L372 HydrophobicContact CB-CD1 4.05Å; C362-F383 HydrophobicContact CB-CE1 3.9Å; C362-F383 HydrophobicContact CB-CZ 4.23Å
363F98.1Very high90.9Very high0 Ų063.6 Ų63.60%032%0.319CS..EExtended strand (participates in β ladder)trans-75.3146167.9-72.115.6000108.7L238 C240 R245 T248 L249 V252 I333 Q334 C335 H336 P337 I361L238-F363 HydrophobicContact CB-CD1 3.91Å; L238-F363 HydrophobicContact CB-CE1 4.08Å; L238-F363 HydrophobicContact CD1-CE1 3.97Å; L238-F363 HydrophobicContact CD1-CZ 4.44Å; L238-F363 HydrophobicContact CD2-CD1 4.28Å; L238-F363 HydrophobicContact CD2-CE1 4.18Å; L238-F363 HydrophobicContact CD2-CZ 4.44Å; L238-F363 HydrophobicContact CG-CE1 4.32Å; L238-F363 VanDerWaalsContact O-CA 3.28Å; L238-F363 WeakPolarHBondContact O-CA 3.24Å; C240-F363 HydrophobicContact CB-CB 4.2Å; C240-F363 HydrophobicContact CB-CD2 3.7Å; C240-F363 HydrophobicContact CB-CE2 4.26Å; C240-F363 HydrophobicContact CB-CG 4.02Å; R245-F363 HydrophobicContact CG-CD2 4.2Å; R245-F363 HydrophobicContact CG-CE2 4.35Å; T248-F363 HydrophobicContact CG2-CE2 4.01Å; T248-F363 HydrophobicContact CG2-CZ 3.88Å; L249-F363 HydrophobicContact CD2-CD2 4.42Å; L249-F363 HydrophobicContact CD2-CE2 3.66Å; L249-F363 HydrophobicContact CD2-CZ 3.83Å; L249-F363 HydrophobicContact CG-CE2 3.77Å; L249-F363 HydrophobicContact CG-CZ 4.27Å; V252-F363 HydrophobicContact CB-CZ 4.43Å; V252-F363 HydrophobicContact CG2-CE1 4.29Å; V252-F363 HydrophobicContact CG2-CZ 4.04Å; I333-F363 HydrophobicContact CG2-CD1 3.98Å; I333-F363 HydrophobicContact CG2-CE1 3.8Å; I333-F363 HydrophobicContact CG2-CG 4.45Å; I333-F363 HydrophobicContact CG2-CZ 4.12Å; Q334-F363 WeakPolarHBondContact O-CB 3.23Å; Q334-F363 PolarHBondContact O-N 3.25Å; C335-F363 WeakPolarHBondContact O-CB 2.98Å; H336-F363 CarbonylContact C-O 3.58Å; H336-F363 WeakPolarHBondContact CA-O 3.49Å; P337-F363 VanDerWaalsContact CD-O 3.28Å; P337-F363 WeakPolarHBondContact CD-O 3.41Å; I361-F363 HydrophobicContact CG2-CD1 4.02Å; I361-F363 HydrophobicContact CG2-CE1 3.89Å
364Y97.3Very high91.6Very high21 Ų2167.7 Ų67.78%0.08234%0.335CS..EExtended strand (participates in β ladder)trans-153.1157.7176.970.4-78.6000110.6A237 L238 L239 C240 L372 R385A237-Y364 HydrophobicContact CB-CD1 4.13Å; A237-Y364 HydrophobicContact CB-CE1 3.86Å; L238-Y364 VanDerWaalsContact C-CE1 3.4Å; L238-Y364 VanDerWaalsContact O-CD1 3.29Å; L238-Y364 WeakPolarHBondContact O-CD1 3.42Å; L238-Y364 PolarHBondContact O-N 3.48Å; L239-Y364 CarbonylContact C-O 3.57Å; L239-Y364 WeakPolarHBondContact CA-O 3.38Å; L239-Y364 HydrophobicContact CB-CE1 4.17Å; L239-Y364 HydrophobicContact CB-CE2 4.22Å; L239-Y364 HydrophobicContact CD1-CD2 4Å; L239-Y364 HydrophobicContact CD1-CE2 3.57Å; L239-Y364 HydrophobicContact CG-CE2 4.48Å; C240-Y364 PolarHBondContact N-O 2.98Å; Y364-L372 HydrophobicContact CD1-CD2 4.07Å; Y364-L372 HydrophobicContact CE1-CD2 4.19Å; Y364-L372 HydrophobicContact CG-CD2 4.34Å; Y364-R385 PolarHBondContact OH-NH1 2.8Å
365T96.3Very high92.6Very high33 Ų3365 Ų6520%0.20231%0.312CS..  trans-103.3169.2170.264.10000111K367 E368 R369T365-K367 PolarHBondContact O-N 3.37Å; T365-K367 VanDerWaalsContact O-N 3.16Å; T365-E368 WeakPolarHBondContact CB-OE2 3Å; T365-E368 PolarHBondContact N-OE2 2.95Å; T365-E368 PolarHBondContact O-N 3.18Å; T365-E368 VanDerWaalsContact OG1-CD 3.32Å; T365-E368 WeakPolarHBondContact OG1-CG 3.43Å; T365-E368 PolarHBondContact OG1-OE2 3.4Å; T365-R369 PolarHBondContact O-N 3.34Å
366Y94.7Very high93.6Very high179 Ų17959 Ų5970%0.70228%0.279SS*.G310 helixtrans-54.5-35.7176.3-74.7-75.7000113.4L239 E368 R369L239-Y366 HydrophobicContact CD1-CD1 4.4Å; L239-Y366 HydrophobicContact CD1-CD2 4.21Å; L239-Y366 HydrophobicContact CD1-CE2 4.31Å; L239-Y366 HydrophobicContact CD1-CG 4.26Å; L239-Y366 HydrophobicContact CD2-CD2 4.47Å; L239-Y366 HydrophobicContact CD2-CE1 3.92Å; L239-Y366 HydrophobicContact CD2-CE2 3.77Å; L239-Y366 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y366 WeakPolarHBondContact CD2-OH 3.15Å; Y366-E368 PolarHBondContact O-N 3.43Å; Y366-R369 PolarHBondContact O-N 2.9Å
367K94.7Very high94Very high195 Ų19559.1 Ų59.185%0.84829%0.289SS*.G310 helixtrans-69.6-21.6179.1-64.2-177.5-179.1178.20113.1T365T365-K367 PolarHBondContact O-N 3.37Å; T365-K367 VanDerWaalsContact O-N 3.16Å
368E95.6Very high93.7Very high32 Ų3258.6 Ų58.615%0.1528%0.277CS..G310 helixtrans-99.84.1-175.6-64.5165.3139.400112.8H336 P337 T365 Y366 S370 M371 L372H336-E368 IonicContact CE1-OE1 3.19Å; H336-E368 IonicContact CG-OE1 3.83Å; H336-E368 IonicContact ND1-OE1 3.67Å; H336-E368 PolarHBondContact ND1-OE1 3.32Å; H336-E368 IonicContact ND1-OE2 3.57Å; H336-E368 PolarHBondContact ND1-OE2 3.18Å; P337-E368 HydrophobicContact CG-CB 4.12Å; T365-E368 WeakPolarHBondContact CB-OE2 3Å; T365-E368 PolarHBondContact N-OE2 2.95Å; T365-E368 PolarHBondContact O-N 3.18Å; T365-E368 VanDerWaalsContact OG1-CD 3.32Å; T365-E368 WeakPolarHBondContact OG1-CG 3.43Å; T365-E368 PolarHBondContact OG1-OE2 3.4Å; Y366-E368 PolarHBondContact O-N 3.43Å; E368-S370 VanDerWaalsContact C-N 3.27Å; E368-S370 PolarHBondContact O-N 3.45Å; E368-M371 WeakPolarHBondContact O-CB 3.33Å; E368-M371 PolarHBondContact O-N 3.06Å; E368-M371 VanDerWaalsContact O-N 3.09Å; E368-L372 PolarHBondContact O-N 2.86Å; E368-L372 VanDerWaalsContact O-N 3.12Å
369R94.7Very high93.3Very high146 Ų14658.5 Ų58.555%0.55128%0.277SS*.Hα-helixtrans-58.3-38-178.4-169.2176.8-172.2173.42.6112.6T365 Y366 L372 S373T365-R369 PolarHBondContact O-N 3.34Å; Y366-R369 PolarHBondContact O-N 2.9Å; R369-L372 PolarHBondContact O-N 3.34Å; R369-S373 PolarHBondContact O-N 2.91Å; R369-S373 PolarHBondContact O-OG 3.49Å
370S94.2Very high92.8Very high91 Ų9159.3 Ų59.364%0.63629%0.291SS*.Hα-helixtrans-66.7-37.2177.1550000112.5E368 L372 S373 R374E368-S370 VanDerWaalsContact C-N 3.27Å; E368-S370 PolarHBondContact O-N 3.45Å; S370-L372 VanDerWaalsContact C-N 3.35Å; S370-S373 PolarHBondContact O-N 2.85Å; S370-R374 PolarHBondContact O-N 3Å
371M94.1Very high92.4Very high56 Ų5659.8 Ų59.828%0.27629%0.293SS..Hα-helixtrans-65.4-40.9176.7-167.6-177.7-64.600111P337 P338 R339 E368 R374 I375P337-M371 HydrophobicContact CB-CB 4.32Å; P337-M371 HydrophobicContact CB-CG 3.98Å; P337-M371 HydrophobicContact CB-SD 3.81Å; P338-M371 VanDerWaalsContact O-SD 3.36Å; R339-M371 HydrophobicContact CG-CE 4.42Å; E368-M371 WeakPolarHBondContact O-CB 3.33Å; E368-M371 PolarHBondContact O-N 3.06Å; E368-M371 VanDerWaalsContact O-N 3.09Å; M371-R374 WeakPolarHBondContact O-CB 3.31Å; M371-R374 PolarHBondContact O-N 3.2Å; M371-I375 WeakPolarHBondContact O-CG1 3.19Å; M371-I375 PolarHBondContact O-N 3.14Å
372L94Very high92.1Very high0 Ų065.7 Ų65.70%033%0.329CS..Hα-helixtrans-61.9-46175.4-163.778.6000111.8A237 P337 C362 Y364 E368 R369 S370 R374 I375 E376 F383 R385A237-L372 HydrophobicContact CB-CD1 4.39Å; A237-L372 HydrophobicContact CB-CD2 3.62Å; P337-L372 HydrophobicContact CB-CD1 4.48Å; P337-L372 HydrophobicContact CG-CD1 4.25Å; C362-L372 HydrophobicContact CB-CD1 4.05Å; Y364-L372 HydrophobicContact CD1-CD2 4.07Å; Y364-L372 HydrophobicContact CE1-CD2 4.19Å; Y364-L372 HydrophobicContact CG-CD2 4.34Å; E368-L372 PolarHBondContact O-N 2.86Å; E368-L372 VanDerWaalsContact O-N 3.12Å; R369-L372 PolarHBondContact O-N 3.34Å; S370-L372 VanDerWaalsContact C-N 3.35Å; L372-R374 VanDerWaalsContact C-N 3.31Å; L372-R374 PolarHBondContact O-N 3.48Å; L372-I375 WeakPolarHBondContact O-CB 3.38Å; L372-I375 PolarHBondContact O-N 3.04Å; L372-I375 VanDerWaalsContact O-N 3.11Å; L372-E376 PolarHBondContact O-N 2.91Å; L372-F383 HydrophobicContact CD1-CD2 3.72Å; L372-F383 HydrophobicContact CD1-CE1 4.29Å; L372-F383 HydrophobicContact CD1-CE2 3.4Å; L372-F383 HydrophobicContact CD1-CG 4.34Å; L372-F383 HydrophobicContact CD1-CZ 3.7Å; L372-F383 HydrophobicContact CD2-CD2 4.06Å; L372-F383 HydrophobicContact CD2-CG 4.46Å; L372-F383 HydrophobicContact CG-CD2 3.63Å; L372-F383 HydrophobicContact CG-CE2 3.7Å; L372-F383 HydrophobicContact CG-CG 4.43Å; L372-F383 HydrophobicContact CG-CZ 4.47Å; L372-R385 VanDerWaalsContact CD2-CZ 3.49Å
373S93.1Very high92Very high42 Ų4266 Ų6629%0.29433%0.331SS..Hα-helixtrans-65.8-32.5177.1-65.60000113.1R369 S370 I375 E376 N377R369-S373 PolarHBondContact O-N 2.91Å; R369-S373 PolarHBondContact O-OG 3.49Å; S370-S373 PolarHBondContact O-N 2.85Å; S373-I375 VanDerWaalsContact C-N 3.33Å; S373-E376 PolarHBondContact O-N 2.94Å; S373-N377 VanDerWaalsContact O-CG 3.29Å; S373-N377 PolarHBondContact O-N 3.33Å; S373-N377 VanDerWaalsContact O-N 3.14Å; S373-N377 PolarHBondContact O-ND2 3Å
374R91.5Very high91.9Very high144 Ų14473.5 Ų73.554%0.54336%0.359SS..Hα-helixtrans-62.2-42.2170.6-179.2178.2174.6-174.3-3.7111.3S370 M371 L372 M378S370-R374 PolarHBondContact O-N 3Å; M371-R374 WeakPolarHBondContact O-CB 3.31Å; M371-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact C-N 3.31Å; L372-R374 PolarHBondContact O-N 3.48Å; R374-M378 HydrophobicContact CG-CG 4.25Å; R374-M378 HydrophobicContact CG-SD 3.62Å; R374-M378 PolarHBondContact NE-SD 2.89Å; R374-M378 VanDerWaalsContact NE-SD 3.4Å; R374-M378 WeakPolarHBondContact O-CB 3.31Å; R374-M378 VanDerWaalsContact O-CG 3.26Å; R374-M378 WeakPolarHBondContact O-CG 3.18Å; R374-M378 PolarHBondContact O-N 2.76Å
375I91.7Very high91.9Very high5 Ų576.9 Ų76.93%0.02637%0.371CS..Hα-helixtrans-63.4-45176.1-68.7164.5000111.1P337 P338 I341 Y344 M371 L372 S373 N377 M378 A379 I381 F383P337-I375 HydrophobicContact CB-CD1 3.8Å; P338-I375 HydrophobicContact CG-CD1 3.9Å; I341-I375 HydrophobicContact CD1-CB 4.09Å; I341-I375 HydrophobicContact CD1-CG1 4.2Å; I341-I375 HydrophobicContact CD1-CG2 3.76Å; Y344-I375 HydrophobicContact CD1-CG2 3.69Å; Y344-I375 HydrophobicContact CD2-CD1 4.38Å; Y344-I375 HydrophobicContact CD2-CG2 3.91Å; Y344-I375 HydrophobicContact CE1-CG2 4.09Å; Y344-I375 HydrophobicContact CE2-CG2 4.29Å; Y344-I375 HydrophobicContact CG-CG2 3.58Å; M371-I375 WeakPolarHBondContact O-CG1 3.19Å; M371-I375 PolarHBondContact O-N 3.14Å; L372-I375 WeakPolarHBondContact O-CB 3.38Å; L372-I375 PolarHBondContact O-N 3.04Å; L372-I375 VanDerWaalsContact O-N 3.11Å; S373-I375 VanDerWaalsContact C-N 3.33Å; I375-N377 VanDerWaalsContact C-N 3.35Å; I375-N377 PolarHBondContact O-N 2.89Å; I375-M378 PolarHBondContact O-N 3.27Å; I375-A379 WeakPolarHBondContact O-CB 3.46Å; I375-A379 PolarHBondContact O-N 3.34Å; I375-I381 HydrophobicContact CG2-CD1 4.38Å; I375-F383 HydrophobicContact CB-CE2 4.37Å; I375-F383 HydrophobicContact CG2-CE2 3.92Å; I375-F383 HydrophobicContact CG2-CZ 4.04Å
376E90.8Very high91.9Very high32 Ų3276.9 Ų76.915%0.1537%0.37CS..Hα-helixtrans-52.4-53.7176.5-71178.2129.500111.4L372 S373 G380 I381 F383L372-E376 PolarHBondContact O-N 2.91Å; S373-E376 PolarHBondContact O-N 2.94Å; E376-G380 WeakPolarHBondContact O-CA 3.38Å; E376-G380 PolarHBondContact O-N 3.42Å; E376-I381 CarbonylContact C-O 3.54Å; E376-I381 WeakPolarHBondContact CA-O 3.46Å; E376-I381 VanDerWaalsContact CB-O 3.23Å; E376-I381 WeakPolarHBondContact CB-O 3.13Å; E376-I381 PolarHBondContact O-N 3.44Å; E376-F383 HydrophobicContact CG-CD2 3.32Å; E376-F383 HydrophobicContact CG-CE2 3.82Å; E376-F383 HydrophobicContact CG-CG 4.36Å; E376-F383 WeakPolarHBondContact OE1-CB 3.45Å; E376-F383 PolarHBondContact OE1-N 3.33Å
377N87.4Confident91.9Very high136 Ų13672.7 Ų72.773%0.72737%0.367SS*.Hα-helixtrans-65.3-43.1-177.9-64.8-17.3000112.5S373 I375S373-N377 VanDerWaalsContact O-CG 3.29Å; S373-N377 PolarHBondContact O-N 3.33Å; S373-N377 VanDerWaalsContact O-N 3.14Å; S373-N377 PolarHBondContact O-ND2 3Å; I375-N377 VanDerWaalsContact C-N 3.35Å; I375-N377 PolarHBondContact O-N 2.89Å
378M82.3Confident91.8Very high84 Ų8465.6 Ų65.641%0.41434%0.344SS..Hα-helixtrans-80.8-29.4-174-68.6-175.869.200114.1I341 R374 I375I341-M378 HydrophobicContact CB-CB 4.2Å; I341-M378 HydrophobicContact CB-CE 4.33Å; I341-M378 HydrophobicContact CD1-CB 3.99Å; I341-M378 HydrophobicContact CG1-CB 3.77Å; I341-M378 HydrophobicContact CG2-CE 3.91Å; R374-M378 HydrophobicContact CG-CG 4.25Å; R374-M378 HydrophobicContact CG-SD 3.62Å; R374-M378 PolarHBondContact NE-SD 2.89Å; R374-M378 VanDerWaalsContact NE-SD 3.4Å; R374-M378 WeakPolarHBondContact O-CB 3.31Å; R374-M378 VanDerWaalsContact O-CG 3.26Å; R374-M378 WeakPolarHBondContact O-CG 3.18Å; R374-M378 PolarHBondContact O-N 2.76Å; I375-M378 PolarHBondContact O-N 3.27Å
379A82.1Confident91.7Very high2 Ų265 Ų652%0.01734%0.343CS..Hα-helixtrans-90.1-12.1174.900000112.7T227 K228 T229 I341 I375 I381T227-A379 WeakPolarHBondContact CA-O 3.39Å; T227-A379 WeakPolarHBondContact CG2-O 3.32Å; K228-A379 PolarHBondContact N-O 2.95Å; K228-A379 VanDerWaalsContact N-O 3.09Å; T229-A379 HydrophobicContact CG2-CB 4.4Å; I341-A379 HydrophobicContact CD1-CB 3.46Å; I341-A379 VanDerWaalsContact CD1-CB 3.46Å; I341-A379 HydrophobicContact CG1-CB 4.06Å; I375-A379 WeakPolarHBondContact O-CB 3.46Å; I375-A379 PolarHBondContact O-N 3.34Å; A379-I381 HydrophobicContact CB-CG1 4.09Å; A379-I381 HydrophobicContact CB-CG2 4.32Å
380G84.1Confident91.6Very high47 Ų4761.3 Ų61.349%0.48534%0.337SS..THydrogen-bonded Turntrans68.935.1-17500000112.5T227 E376T227-G380 WeakPolarHBondContact CG2-O 3.43Å; T227-G380 PolarHBondContact OG1-O 2.93Å; E376-G380 WeakPolarHBondContact O-CA 3.38Å; E376-G380 PolarHBondContact O-N 3.42Å
381I88.9Confident91.4Very high11 Ų1163.3 Ų63.36%0.05634%0.339CS..  trans-116.6159.1178.662.4160.8000111T227 T229 H235 Y344 I375 E376 A379 F383T227-I381 HydrophobicContact CG2-CB 4.48Å; T227-I381 HydrophobicContact CG2-CG2 3.22Å; T229-I381 HydrophobicContact CG2-CG2 4.14Å; T229-I381 WeakPolarHBondContact OG1-CG2 3.5Å; H235-I381 HydrophobicContact CB-CD1 4.05Å; Y344-I381 HydrophobicContact CD1-CD1 4.3Å; Y344-I381 HydrophobicContact CE1-CD1 3.32Å; Y344-I381 HydrophobicContact CE1-CG1 4.5Å; Y344-I381 VanDerWaalsContact OH-CD1 3.3Å; Y344-I381 WeakPolarHBondContact OH-CD1 3.39Å; I375-I381 HydrophobicContact CG2-CD1 4.38Å; E376-I381 CarbonylContact C-O 3.54Å; E376-I381 WeakPolarHBondContact CA-O 3.46Å; E376-I381 VanDerWaalsContact CB-O 3.23Å; E376-I381 WeakPolarHBondContact CB-O 3.13Å; E376-I381 PolarHBondContact O-N 3.44Å; A379-I381 HydrophobicContact CB-CG1 4.09Å; A379-I381 HydrophobicContact CB-CG2 4.32Å; I381-F383 HydrophobicContact CD1-CD2 4.36Å; I381-F383 HydrophobicContact CD1-CE1 4.07Å; I381-F383 HydrophobicContact CD1-CE2 3.84Å; I381-F383 HydrophobicContact CD1-CZ 3.69Å
382T90.3Very high91.3Very high123 Ų12366.2 Ų66.276%0.75536%0.356SS*.  trans-119.1120.8170.3-52.20000109R384T382-R384 PolarHBondContact O-N 2.63Å
383F95.3Very high91.2Very high8 Ų869.6 Ų69.64%0.03537%0.374CS..  trans-77.1125.4174.6-73.6-77000110.6H235 L236 A237 Y344 C362 L372 I375 E376 I381 R385H235-F383 HydrophobicContact CB-CD1 4.02Å; H235-F383 HydrophobicContact CB-CE1 4.24Å; L236-F383 WeakPolarHBondContact O-CD1 3.33Å; A237-F383 HydrophobicContact CB-CB 3.72Å; A237-F383 HydrophobicContact CB-CD1 3.98Å; A237-F383 HydrophobicContact CB-CG 3.91Å; Y344-F383 HydrophobicContact CD2-CZ 4.33Å; Y344-F383 HydrophobicContact CE1-CZ 4.33Å; Y344-F383 AromaticContact CE2-CE1 3.8Å; Y344-F383 HydrophobicContact CE2-CE1 3.8Å; Y344-F383 AromaticContact CE2-CZ 3.43Å; Y344-F383 HydrophobicContact CE2-CZ 3.43Å; Y344-F383 VanDerWaalsContact CE2-CZ 3.43Å; Y344-F383 AromaticContact CZ-CE1 3.66Å; Y344-F383 AromaticContact CZ-CZ 3.42Å; Y344-F383 VanDerWaalsContact CZ-CZ 3.42Å; Y344-F383 WeakPolarHBondContact OH-CE1 3.21Å; Y344-F383 VanDerWaalsContact OH-CZ 3.23Å; Y344-F383 WeakPolarHBondContact OH-CZ 3.23Å; C362-F383 HydrophobicContact CB-CE1 3.9Å; C362-F383 HydrophobicContact CB-CZ 4.23Å; L372-F383 HydrophobicContact CD1-CD2 3.72Å; L372-F383 HydrophobicContact CD1-CE1 4.29Å; L372-F383 HydrophobicContact CD1-CE2 3.4Å; L372-F383 HydrophobicContact CD1-CG 4.34Å; L372-F383 HydrophobicContact CD1-CZ 3.7Å; L372-F383 HydrophobicContact CD2-CD2 4.06Å; L372-F383 HydrophobicContact CD2-CG 4.46Å; L372-F383 HydrophobicContact CG-CD2 3.63Å; L372-F383 HydrophobicContact CG-CE2 3.7Å; L372-F383 HydrophobicContact CG-CG 4.43Å; L372-F383 HydrophobicContact CG-CZ 4.47Å; I375-F383 HydrophobicContact CB-CE2 4.37Å; I375-F383 HydrophobicContact CG2-CE2 3.92Å; I375-F383 HydrophobicContact CG2-CZ 4.04Å; E376-F383 HydrophobicContact CG-CD2 3.32Å; E376-F383 HydrophobicContact CG-CE2 3.82Å; E376-F383 HydrophobicContact CG-CG 4.36Å; E376-F383 WeakPolarHBondContact OE1-CB 3.45Å; E376-F383 PolarHBondContact OE1-N 3.33Å; I381-F383 HydrophobicContact CD1-CD2 4.36Å; I381-F383 HydrophobicContact CD1-CE1 4.07Å; I381-F383 HydrophobicContact CD1-CE2 3.84Å; I381-F383 HydrophobicContact CD1-CZ 3.69Å; F383-R385 PolarHBondContact O-N 2.89Å
384R96.6Very high91Very high157 Ų15768.7 Ų68.759%0.59237%0.366SS*.EExtended strand (participates in β ladder)trans-76112.9163.2-171.4177.871.7-171.52.8108.9H235 L236 A237 T382H235-R384 PolarHBondContact O-N 3.37Å; L236-R384 VanDerWaalsContact CA-O 3.32Å; L236-R384 WeakPolarHBondContact CA-O 3.41Å; L236-R384 HydrophobicContact CD2-CB 3.76Å; L236-R384 HydrophobicContact CD2-CG 4.45Å; A237-R384 PolarHBondContact N-O 2.89Å; T382-R384 PolarHBondContact O-N 2.63Å
385R96.5Very high90.9Very high91 Ų9165 Ų6534%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-69.5128.9176.2-57.9-83.8177.3149.91.7109.1A237 Y364 L372 F383A237-R385 WeakPolarHBondContact O-CA 3.47Å; Y364-R385 PolarHBondContact OH-NH1 2.8Å; L372-R385 VanDerWaalsContact CD2-CZ 3.49Å; F383-R385 PolarHBondContact O-N 2.89Å
386I97Very high90.8Very high34 Ų3468.7 Ų68.717%0.17438%0.382CS..EExtended strand (participates in β ladder)trans-124.9157.3178.460.9167.9000110.3L236 A237 L238 Y256 I361L236-I386 HydrophobicContact CB-CD1 4.15Å; L236-I386 HydrophobicContact CB-CG1 4.43Å; L236-I386 HydrophobicContact CD1-CD1 4.06Å; L236-I386 HydrophobicContact CD1-CG2 4.49Å; L236-I386 HydrophobicContact CD2-CG2 4.32Å; A237-I386 PolarHBondContact O-N 3.27Å; L238-I386 HydrophobicContact CB-CD1 4.39Å; L238-I386 HydrophobicContact CB-CG1 4.02Å; L238-I386 HydrophobicContact CD1-CD1 4.02Å; L238-I386 HydrophobicContact CD1-CG1 4.22Å; L238-I386 HydrophobicContact CG-CG1 4.32Å; Y256-I386 WeakPolarHBondContact OH-CD1 3.43Å; I361-I386 HydrophobicContact CD1-CD1 4.36Å; I361-I386 HydrophobicContact CG2-CD1 4.28Å
387S93.9Very high90.6Very high91 Ų9167.8 Ų67.864%0.63638%0.38SS*.PPolyproline II helixtrans-82.6167.5167.359.20000110.9
388A94.3Very high90.5Very high45 Ų4567.6 Ų67.637%0.37237%0.37SS..PPolyproline II helixtrans-58.2147162.100000110.1T248 T390T248-A388 HydrophobicContact CG2-CB 4.17Å; A388-T390 PolarHBondContact O-N 3.45Å
389P93.7Very high90.7Very high20 Ų2065.4 Ų65.413%0.1337%0.369CS..PPolyproline II helixtrans-55136.9174.2-25.935.4000111.8D251 V252 V255 D393 I394D251-P389 HydrophobicContact CB-CB 4.19Å; D251-P389 HydrophobicContact CB-CG 4.07Å; V252-P389 HydrophobicContact CG2-CG 3.82Å; V255-P389 HydrophobicContact CB-CG 4.49Å; V255-P389 HydrophobicContact CG2-CB 3.91Å; V255-P389 HydrophobicContact CG2-CG 4.23Å; P389-D393 HydrophobicContact CB-CB 4.19Å; P389-I394 HydrophobicContact CB-CG1 4.15Å
390T92.8Very high90.9Very high68 Ų6869.7 Ų69.742%0.41739%0.388SS..PPolyproline II helixtrans-81.9166.4173.567.90000110.6A388 N392 D393 I394A388-T390 PolarHBondContact O-N 3.45Å; T390-N392 PolarHBondContact O-N 3.02Å; T390-N392 PolarHBondContact OG1-N 3.37Å; T390-D393 WeakPolarHBondContact CB-OD2 3.47Å; T390-D393 PolarHBondContact N-OD2 3.31Å; T390-D393 WeakPolarHBondContact O-CB 3.36Å; T390-D393 PolarHBondContact O-N 2.97Å; T390-D393 PolarHBondContact OG1-N 3.29Å; T390-D393 PolarHBondContact OG1-OD2 2.93Å; T390-I394 WeakPolarHBondContact O-CG1 3.29Å; T390-I394 PolarHBondContact O-N 2.8Å
391I89.6Confident90.9Very high134 Ų13469 Ų6969%0.68737%0.372SS*.Hα-helixtrans-54.9-38.1173.7-64167.6000110.8I394 T395I391-I394 PolarHBondContact O-N 2.91Å; I391-T395 HydrophobicContact CG2-CG2 4.18Å; I391-T395 VanDerWaalsContact O-CG2 3.29Å; I391-T395 WeakPolarHBondContact O-CG2 3.44Å; I391-T395 PolarHBondContact O-N 3.45Å; I391-T395 PolarHBondContact O-OG1 3.31Å; I391-T395 VanDerWaalsContact O-OG1 3.08Å
392N91.1Very high90.7Very high116 Ų11672.1 Ų72.162%0.6239%0.388SS*.Hα-helixtrans-67.5-36.9178.1-70.9-16.2000112.7T390 I394 T395 T396T390-N392 PolarHBondContact O-N 3.02Å; T390-N392 PolarHBondContact OG1-N 3.37Å; N392-I394 VanDerWaalsContact C-N 3.34Å; N392-T395 WeakPolarHBondContact CA-OG1 3.47Å; N392-T395 PolarHBondContact O-OG1 3.35Å; N392-T395 VanDerWaalsContact O-OG1 3.11Å; N392-T396 VanDerWaalsContact O-CB 3.27Å; N392-T396 WeakPolarHBondContact O-CB 3.38Å; N392-T396 PolarHBondContact O-N 2.95Å; N392-T396 PolarHBondContact O-OG1 3.36Å
393D91.5Very high90.6Very high71 Ų7171.8 Ų71.838%0.3838%0.381SS..Hα-helixtrans-64.8-42.8175.4-58.3-49.7000110.5V255 P389 T390 T396 A397V255-D393 HydrophobicContact CG2-CB 4.07Å; P389-D393 HydrophobicContact CB-CB 4.19Å; T390-D393 WeakPolarHBondContact CB-OD2 3.47Å; T390-D393 PolarHBondContact N-OD2 3.31Å; T390-D393 WeakPolarHBondContact O-CB 3.36Å; T390-D393 PolarHBondContact O-N 2.97Å; T390-D393 PolarHBondContact OG1-N 3.29Å; T390-D393 PolarHBondContact OG1-OD2 2.93Å; D393-T396 PolarHBondContact O-N 3.45Å; D393-A397 WeakPolarHBondContact O-CB 3.29Å; D393-A397 PolarHBondContact O-N 3.26Å
394I89Confident90.1Very high23 Ų2376.3 Ų76.312%0.11840%0.401CS..Hα-helixtrans-66.5-47.3179.4-60.8162.3000110.8D251 V255 P389 T390 I391 N392 T396 A397 W398D251-I394 HydrophobicContact CB-CD1 3.9Å; D251-I394 HydrophobicContact CB-CG1 4.21Å; D251-I394 VanDerWaalsContact CG-CD1 3.49Å; V255-I394 HydrophobicContact CG2-CG1 4.35Å; P389-I394 HydrophobicContact CB-CG1 4.15Å; T390-I394 WeakPolarHBondContact O-CG1 3.29Å; T390-I394 PolarHBondContact O-N 2.8Å; I391-I394 PolarHBondContact O-N 2.91Å; N392-I394 VanDerWaalsContact C-N 3.34Å; I394-T396 VanDerWaalsContact C-N 3.31Å; I394-T396 PolarHBondContact O-N 2.93Å; I394-A397 PolarHBondContact O-N 3.18Å; I394-W398 HydrophobicContact CG2-CD2 4.42Å; I394-W398 HydrophobicContact CG2-CZ2 4.3Å; I394-W398 VanDerWaalsContact O-CD1 3.3Å; I394-W398 PolarHBondContact O-N 3.16Å
395T89Confident89.6Confident68 Ų6870.1 Ų70.142%0.41738%0.38SS..Hα-helixtrans-65.7-34.8179.355.60000111.9I391 N392 W398 G399I391-T395 HydrophobicContact CG2-CG2 4.18Å; I391-T395 VanDerWaalsContact O-CG2 3.29Å; I391-T395 WeakPolarHBondContact O-CG2 3.44Å; I391-T395 PolarHBondContact O-N 3.45Å; I391-T395 PolarHBondContact O-OG1 3.31Å; I391-T395 VanDerWaalsContact O-OG1 3.08Å; N392-T395 WeakPolarHBondContact CA-OG1 3.47Å; N392-T395 PolarHBondContact O-OG1 3.35Å; N392-T395 VanDerWaalsContact O-OG1 3.11Å; T395-W398 PolarHBondContact O-N 3.45Å; T395-G399 PolarHBondContact O-N 3.44Å
396T90.2Very high89.2Confident81 Ų8167.4 Ų67.450%0.49737%0.371SS..Hα-helixtrans-63.8-47.7173.1-58.60000110.9N392 D393 I394 W398 G399 E400N392-T396 VanDerWaalsContact O-CB 3.27Å; N392-T396 WeakPolarHBondContact O-CB 3.38Å; N392-T396 PolarHBondContact O-N 2.95Å; N392-T396 PolarHBondContact O-OG1 3.36Å; D393-T396 PolarHBondContact O-N 3.45Å; I394-T396 VanDerWaalsContact C-N 3.31Å; I394-T396 PolarHBondContact O-N 2.93Å; T396-W398 VanDerWaalsContact C-N 3.33Å; T396-W398 PolarHBondContact O-N 2.88Å; T396-G399 WeakPolarHBondContact O-CA 3.38Å; T396-G399 PolarHBondContact O-N 3.42Å; T396-G399 VanDerWaalsContact O-N 3.11Å; T396-E400 PolarHBondContact O-N 3.44Å
397A87.5Confident88.7Confident14 Ų1469.4 Ų69.412%0.11639%0.389CS..Hα-helixtrans-62-40.1176.900000112.3V255 D393 I394 G399 E400 E401V255-A397 HydrophobicContact CG2-CB 4.18Å; D393-A397 WeakPolarHBondContact O-CB 3.29Å; D393-A397 PolarHBondContact O-N 3.26Å; I394-A397 PolarHBondContact O-N 3.18Å; A397-G399 VanDerWaalsContact C-N 3.35Å; A397-E400 PolarHBondContact O-N 3.12Å; A397-E401 PolarHBondContact O-N 2.89Å; A397-E401 VanDerWaalsContact O-N 3.16Å
398W84Confident88.4Confident132 Ų13271.3 Ų71.350%0.539%0.391SS..Hα-helixtrans-61.1-44.8172-76.517.5000111.3I394 T395 T396 E400 E401 I402I394-W398 HydrophobicContact CG2-CD2 4.42Å; I394-W398 HydrophobicContact CG2-CZ2 4.3Å; I394-W398 VanDerWaalsContact O-CD1 3.3Å; I394-W398 PolarHBondContact O-N 3.16Å; T395-W398 PolarHBondContact O-N 3.45Å; T396-W398 VanDerWaalsContact C-N 3.33Å; T396-W398 PolarHBondContact O-N 2.88Å; W398-E400 VanDerWaalsContact C-N 3.35Å; W398-E400 PolarHBondContact O-N 3.26Å; W398-E401 PolarHBondContact O-N 3Å; W398-I402 HydrophobicContact CB-CD1 4.36Å; W398-I402 VanDerWaalsContact O-CB 3.29Å; W398-I402 WeakPolarHBondContact O-CB 3.43Å; W398-I402 WeakPolarHBondContact O-CD1 3.21Å; W398-I402 WeakPolarHBondContact O-CG1 3.09Å; W398-I402 PolarHBondContact O-N 3.49Å
399G86.7Confident88.1Confident38 Ų3869.4 Ų69.439%0.39238%0.375SS..Hα-helixtrans-56.6-46.5177.700000112.5T395 T396 A397 L403T395-G399 PolarHBondContact O-N 3.44Å; T396-G399 WeakPolarHBondContact O-CA 3.38Å; T396-G399 PolarHBondContact O-N 3.42Å; T396-G399 VanDerWaalsContact O-N 3.11Å; A397-G399 VanDerWaalsContact C-N 3.35Å; G399-L403 VanDerWaalsContact O-CB 3.23Å; G399-L403 WeakPolarHBondContact O-CB 3.4Å; G399-L403 PolarHBondContact O-N 2.88Å
400E86.7Confident87.8Confident91 Ų9170.3 Ų70.343%0.42538%0.381SS..Hα-helixtrans-62.6-44.8177.7-69.5-176.318000112.5T396 A397 W398 L403 K404T396-E400 PolarHBondContact O-N 3.44Å; A397-E400 PolarHBondContact O-N 3.12Å; W398-E400 VanDerWaalsContact C-N 3.35Å; W398-E400 PolarHBondContact O-N 3.26Å; E400-L403 PolarHBondContact O-N 3.35Å; E400-K404 PolarHBondContact O-N 3.05Å; E400-K404 VanDerWaalsContact O-N 3.13Å
401E83.5Confident87.4Confident33 Ų3374.2 Ų74.215%0.15439%0.392CS..Hα-helixtrans-68-42.5179.4-175.2173.9-165.500112.2K254 R312 A397 W398 L403 K404 T405K254-E401 WeakPolarHBondContact CE-OE2 3.49Å; K254-E401 IonicContact NZ-OE2 3.65Å; K254-E401 PolarHBondContact NZ-OE2 2.83Å; R312-E401 IonicContact CZ-OE1 3.58Å; R312-E401 VanDerWaalsContact CZ-OE1 3.31Å; R312-E401 IonicContact NH1-OE1 2.8Å; R312-E401 PolarHBondContact NH1-OE1 3.1Å; R312-E401 IonicContact NH1-OE2 3.48Å; R312-E401 IonicContact NH2-OE1 3.5Å; R312-E401 PolarHBondContact NH2-OE1 3.14Å; A397-E401 PolarHBondContact O-N 2.89Å; A397-E401 VanDerWaalsContact O-N 3.16Å; W398-E401 PolarHBondContact O-N 3Å; E401-L403 VanDerWaalsContact C-N 3.33Å; E401-K404 PolarHBondContact O-N 3.21Å; E401-T405 WeakPolarHBondContact O-CB 3.32Å; E401-T405 PolarHBondContact O-N 2.79Å; E401-T405 PolarHBondContact O-OG1 3.23Å
402I86.1Confident87Confident76 Ų7671 Ų7139%0.3938%0.382SS..Hα-helixtrans-63.7-41.5176.7-70.3167.9000109.9W398 K404 T405 F406W398-I402 HydrophobicContact CB-CD1 4.36Å; W398-I402 VanDerWaalsContact O-CB 3.29Å; W398-I402 WeakPolarHBondContact O-CB 3.43Å; W398-I402 WeakPolarHBondContact O-CD1 3.21Å; W398-I402 WeakPolarHBondContact O-CG1 3.09Å; W398-I402 PolarHBondContact O-N 3.49Å; I402-K404 PolarHBondContact O-N 3.49Å; I402-T405 CarbonylContact O-C 3.46Å; I402-T405 WeakPolarHBondContact O-CB 3.18Å; I402-T405 PolarHBondContact O-N 3.29Å; I402-T405 VanDerWaalsContact O-N 3.15Å; I402-F406 HydrophobicContact CG2-CD1 4.08Å; I402-F406 HydrophobicContact CG2-CD2 3.73Å; I402-F406 HydrophobicContact CG2-CE1 3.77Å; I402-F406 HydrophobicContact CG2-CE2 3.38Å; I402-F406 HydrophobicContact CG2-CG 4.06Å; I402-F406 HydrophobicContact CG2-CZ 3.4Å; I402-F406 WeakPolarHBondContact O-CB 3.09Å; I402-F406 WeakPolarHBondContact O-CG 3.39Å; I402-F406 PolarHBondContact O-N 3.38Å
403L87.4Confident86.7Confident116 Ų11665.5 Ų65.561%0.60735%0.353SS*.Hα-helixtrans-62.4-44.1178.6-17566.9000111.9G399 E400 E401 T405 S407G399-L403 VanDerWaalsContact O-CB 3.23Å; G399-L403 WeakPolarHBondContact O-CB 3.4Å; G399-L403 PolarHBondContact O-N 2.88Å; E400-L403 PolarHBondContact O-N 3.35Å; E401-L403 VanDerWaalsContact C-N 3.33Å; L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 2.84Å; L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.3Å; L403-S407 PolarHBondContact O-OG 2.97Å
404K85.1Confident86.5Confident103 Ų10364.1 Ų64.145%0.44834%0.342SS..Hα-helixtrans-58.8-44.9172.5-73.8-179.6-179.5-177.60110.8K258 E261 E400 E401 I402 S407 N408K258-K404 PolarHBondContact O-NZ 2.69Å; K258-K404 VanDerWaalsContact O-NZ 3.12Å; E261-K404 IonicContact OE1-NZ 3.81Å; E400-K404 PolarHBondContact O-N 3.05Å; E400-K404 VanDerWaalsContact O-N 3.13Å; E401-K404 PolarHBondContact O-N 3.21Å; I402-K404 PolarHBondContact O-N 3.49Å; K404-S407 PolarHBondContact O-N 3.08Å; K404-N408 PolarHBondContact O-N 3.05Å; K404-N408 PolarHBondContact O-ND2 3.04Å
405T85.2Confident86.5Confident27 Ų2765.3 Ų65.317%0.16635%0.352CS..Hα-helixtrans-63.8-49.2-179.8-54.90000111.6E401 I402 L403 S407 N408 V409E401-T405 WeakPolarHBondContact O-CB 3.32Å; E401-T405 PolarHBondContact O-N 2.79Å; E401-T405 PolarHBondContact O-OG1 3.23Å; I402-T405 CarbonylContact O-C 3.46Å; I402-T405 WeakPolarHBondContact O-CB 3.18Å; I402-T405 PolarHBondContact O-N 3.29Å; I402-T405 VanDerWaalsContact O-N 3.15Å; L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 2.84Å; T405-S407 VanDerWaalsContact C-N 3.25Å; T405-S407 PolarHBondContact O-N 2.96Å; T405-N408 WeakPolarHBondContact O-CB 3.12Å; T405-N408 PolarHBondContact O-N 2.79Å; T405-V409 PolarHBondContact O-N 3.01Å
406F89.2Confident86.4Confident34 Ų3465.9 Ų65.915%0.14936%0.356CS..Hα-helixtrans-65.3-29.2179.8-72.4-0000112.9I402 N408 V409 V465 C468 A469 C472I402-F406 HydrophobicContact CG2-CD1 4.08Å; I402-F406 HydrophobicContact CG2-CD2 3.73Å; I402-F406 HydrophobicContact CG2-CE1 3.77Å; I402-F406 HydrophobicContact CG2-CE2 3.38Å; I402-F406 HydrophobicContact CG2-CG 4.06Å; I402-F406 HydrophobicContact CG2-CZ 3.4Å; I402-F406 WeakPolarHBondContact O-CB 3.09Å; I402-F406 WeakPolarHBondContact O-CG 3.39Å; I402-F406 PolarHBondContact O-N 3.38Å; F406-N408 PolarHBondContact O-N 3.48Å; F406-V409 PolarHBondContact O-N 2.95Å; F406-V465 HydrophobicContact CD2-CG1 4.12Å; F406-V465 HydrophobicContact CE2-CG1 3.8Å; F406-C468 HydrophobicContact CB-CB 3.99Å; F406-C468 HydrophobicContact CD1-CB 3.76Å; F406-C468 HydrophobicContact CD2-CB 4.02Å; F406-C468 HydrophobicContact CE1-CB 4.22Å; F406-C468 HydrophobicContact CE2-CB 4.45Å; F406-C468 HydrophobicContact CG-CB 3.66Å; F406-A469 HydrophobicContact CE1-CB 4.3Å; F406-A469 HydrophobicContact CE2-CB 4.24Å; F406-A469 VanDerWaalsContact CZ-CA 3.48Å; F406-A469 HydrophobicContact CZ-CB 3.57Å; F406-C472 HydrophobicContact CE1-CB 4.42Å
407S86.8Confident86.4Confident77 Ų7763 Ų6354%0.53834%0.336SS..Hα-helixtrans-67.2-26.5174.1-60.20000112.5L403 K404 T405L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.3Å; L403-S407 PolarHBondContact O-OG 2.97Å; K404-S407 PolarHBondContact O-N 3.08Å; T405-S407 VanDerWaalsContact C-N 3.25Å; T405-S407 PolarHBondContact O-N 2.96Å
408N86.8Confident86.6Confident130 Ų13064.2 Ų64.270%0.69534%0.342SS*.Hα-helixtrans-87.2-11.7178.9-66.6-24000113.7K404 T405 F406 P410K404-N408 PolarHBondContact O-N 3.05Å; K404-N408 PolarHBondContact O-ND2 3.04Å; T405-N408 WeakPolarHBondContact O-CB 3.12Å; T405-N408 PolarHBondContact O-N 2.79Å; F406-N408 PolarHBondContact O-N 3.48Å; N408-P410 WeakPolarHBondContact O-CD 3.48Å
409V87.6Confident86.9Confident5 Ų562.4 Ų62.43%0.0335%0.347CS..SBendtrans-75.4117.5177.8-176.70000109.7T405 F406 T413 W414 A471T405-V409 PolarHBondContact O-N 3.01Å; F406-V409 PolarHBondContact O-N 2.95Å; V409-T413 HydrophobicContact CG1-CG2 4.09Å; V409-W414 HydrophobicContact CG1-CB 4.01Å; V409-A471 HydrophobicContact CG1-CB 4.25Å
410P87.3Confident87Confident40 Ų4064.3 Ų64.326%0.2635%0.348SS..  trans-72.4153-175.426.9-30.7000111.9N408 S412 T413 W414 A479N408-P410 WeakPolarHBondContact O-CD 3.48Å; P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 3.31Å; P410-T413 WeakPolarHBondContact O-CA 3.35Å; P410-T413 WeakPolarHBondContact O-CB 3.38Å; P410-T413 PolarHBondContact O-N 3.29Å; P410-W414 VanDerWaalsContact O-CD1 3.24Å; P410-W414 PolarHBondContact O-N 3.37Å; P410-W414 VanDerWaalsContact O-N 3.16Å; P410-A479 HydrophobicContact CG-CB 4.06Å
411K84.8Confident87.2Confident150 Ų15060 Ų6065%0.65233%0.328SS*.Hα-helixtrans-57.7-37.5179.5-179.3177.5176.8-168.40113.5T413 W414 S415K411-T413 PolarHBondContact O-N 2.88Å; K411-T413 VanDerWaalsContact O-N 3.1Å; K411-W414 VanDerWaalsContact CA-NE1 3.3Å; K411-W414 HydrophobicContact CB-CZ2 4.11Å; K411-W414 HydrophobicContact CD-CZ2 4.27Å; K411-W414 HydrophobicContact CG-CH2 4.26Å; K411-W414 HydrophobicContact CG-CZ2 3.64Å; K411-S415 WeakPolarHBondContact O-CB 3.48Å; K411-S415 PolarHBondContact O-N 2.86Å; K411-S415 VanDerWaalsContact O-N 3.15Å; K411-S415 PolarHBondContact O-OG 3.07Å
412S80.8Confident87.6Confident67 Ų6762.4 Ų62.447%0.46934%0.342SS..Hα-helixtrans-57.5-22.3174.453.70000113.2P410 T416P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 3.31Å; S412-T416 WeakPolarHBondContact O-CG2 3.47Å
413T85.8Confident87.7Confident0 Ų061.5 Ų61.50%034%0.342CS..Hα-helixtrans-97.7-60.5-178-59.90000111.8V409 P410 K411 S415 T416 F417 A471 K476 G478 A479 V480V409-T413 HydrophobicContact CG1-CG2 4.09Å; P410-T413 WeakPolarHBondContact O-CA 3.35Å; P410-T413 WeakPolarHBondContact O-CB 3.38Å; P410-T413 PolarHBondContact O-N 3.29Å; K411-T413 PolarHBondContact O-N 2.88Å; K411-T413 VanDerWaalsContact O-N 3.1Å; T413-S415 PolarHBondContact O-N 3.39Å; T413-S415 VanDerWaalsContact O-N 3.11Å; T413-T416 PolarHBondContact O-N 2.91Å; T413-T416 PolarHBondContact O-OG1 2.98Å; T413-F417 HydrophobicContact CG2-CE2 4.43Å; T413-F417 WeakPolarHBondContact O-CD2 3.3Å; T413-A471 HydrophobicContact CG2-CB 4.2Å; T413-K476 HydrophobicContact CG2-CB 4.28Å; T413-K476 WeakPolarHBondContact CG2-O 3.17Å; T413-G478 PolarHBondContact OG1-O 3.48Å; T413-G478 VanDerWaalsContact OG1-O 3.07Å; T413-A479 WeakPolarHBondContact OG1-CA 2.86Å; T413-V480 HydrophobicContact CG2-CG2 3.54Å; T413-V480 PolarHBondContact OG1-N 2.84Å
414W87.4Confident87.8Confident42 Ų4258.6 Ų58.616%0.15933%0.326CS..Hα-helixtrans-63.2-26.9-176.565.3-108.1000112.3V409 P410 K411 T416 F417 V418 R464 C467V409-W414 HydrophobicContact CG1-CB 4.01Å; P410-W414 VanDerWaalsContact O-CD1 3.24Å; P410-W414 PolarHBondContact O-N 3.37Å; P410-W414 VanDerWaalsContact O-N 3.16Å; K411-W414 VanDerWaalsContact CA-NE1 3.3Å; K411-W414 HydrophobicContact CB-CZ2 4.11Å; K411-W414 HydrophobicContact CD-CZ2 4.27Å; K411-W414 HydrophobicContact CG-CH2 4.26Å; K411-W414 HydrophobicContact CG-CZ2 3.64Å; W414-T416 VanDerWaalsContact C-N 3.27Å; W414-T416 PolarHBondContact O-N 2.73Å; W414-F417 WeakPolarHBondContact O-CB 3.49Å; W414-F417 PolarHBondContact O-N 3.23Å; W414-F417 VanDerWaalsContact O-N 3.11Å; W414-V418 HydrophobicContact CZ3-CG2 4.42Å; W414-R464 HydrophobicContact CD2-CG 4.31Å; W414-R464 HydrophobicContact CE3-CG 4.47Å; W414-R464 HydrophobicContact CH2-CG 4.48Å; W414-R464 HydrophobicContact CZ2-CG 4.27Å; W414-C467 HydrophobicContact CB-CB 4.05Å; W414-C467 HydrophobicContact CE3-CB 4.07Å; W414-C467 WeakPolarHBondContact O-CB 3.37Å
415S87.7Confident87.9Confident47 Ų4755.9 Ų55.933%0.32932%0.323SS..G310 helixtrans-65.9-26.3177.463.20000113.7K411 T413 F417 V418K411-S415 WeakPolarHBondContact O-CB 3.48Å; K411-S415 PolarHBondContact O-N 2.86Å; K411-S415 VanDerWaalsContact O-N 3.15Å; K411-S415 PolarHBondContact O-OG 3.07Å; T413-S415 PolarHBondContact O-N 3.39Å; T413-S415 VanDerWaalsContact O-N 3.11Å; S415-F417 PolarHBondContact O-N 2.92Å; S415-V418 WeakPolarHBondContact O-CB 3.41Å; S415-V418 WeakPolarHBondContact O-CG2 3.27Å; S415-V418 PolarHBondContact O-N 3.09Å
416T87Confident87.9Confident80 Ų8059.3 Ų59.349%0.49134%0.341SS..G310 helixtrans-69.7-19.8175.667.60000112.2S412 T413 W414 P419S412-T416 WeakPolarHBondContact O-CG2 3.47Å; T413-T416 PolarHBondContact O-N 2.91Å; T413-T416 PolarHBondContact O-OG1 2.98Å; W414-T416 VanDerWaalsContact C-N 3.27Å; W414-T416 PolarHBondContact O-N 2.73Å; T416-P419 WeakPolarHBondContact O-CD 3.47Å
417F90.6Very high87.6Confident22 Ų2263 Ų6310%0.09636%0.358CS..G310 helixtrans-87.4-6.2178.3-70.8-91.9000113.3T413 W414 S415 L420 A421 C467 L470 A471 S474 K476T413-F417 HydrophobicContact CG2-CE2 4.43Å; T413-F417 WeakPolarHBondContact O-CD2 3.3Å; W414-F417 WeakPolarHBondContact O-CB 3.49Å; W414-F417 PolarHBondContact O-N 3.23Å; W414-F417 VanDerWaalsContact O-N 3.11Å; S415-F417 PolarHBondContact O-N 2.92Å; F417-L420 HydrophobicContact CD1-CD2 4.07Å; F417-L420 PolarHBondContact O-N 2.94Å; F417-L420 VanDerWaalsContact O-N 3.14Å; F417-A421 WeakPolarHBondContact O-CB 3.4Å; F417-A421 PolarHBondContact O-N 2.88Å; F417-C467 HydrophobicContact CB-CB 4.32Å; F417-L470 HydrophobicContact CB-CB 4.4Å; F417-L470 HydrophobicContact CD1-CB 3.8Å; F417-L470 HydrophobicContact CE1-CB 4.48Å; F417-L470 HydrophobicContact CG-CB 4.32Å; F417-A471 HydrophobicContact CD2-CB 3.75Å; F417-A471 HydrophobicContact CE2-CB 3.64Å; F417-A471 HydrophobicContact CG-CB 4.4Å; F417-A471 HydrophobicContact CZ-CB 4.19Å; F417-S474 WeakPolarHBondContact CE1-OG 3.48Å; F417-K476 HydrophobicContact CE2-CB 4.24Å; F417-K476 HydrophobicContact CZ-CB 4.16Å; F417-K476 HydrophobicContact CZ-CG 4.2Å
418V91.9Very high87.3Confident39 Ų3964.8 Ų64.824%0.23636%0.361CS..Hα-helixtrans-55.2-47.7179.7171.70000112.6W414 S415 L420 A421 L422 L463W414-V418 HydrophobicContact CZ3-CG2 4.42Å; S415-V418 WeakPolarHBondContact O-CB 3.41Å; S415-V418 WeakPolarHBondContact O-CG2 3.27Å; S415-V418 PolarHBondContact O-N 3.09Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 3.3Å; V418-A421 PolarHBondContact O-N 3.03Å; V418-L422 HydrophobicContact CG1-CD1 4Å; V418-L422 HydrophobicContact CG1-CG 4.48Å; V418-L422 WeakPolarHBondContact O-CG 3.44Å; V418-L422 PolarHBondContact O-N 3.39Å; V418-L463 HydrophobicContact CG1-CD2 4.46Å
419P90Very high87Confident93 Ų9361 Ų6160%0.60435%0.348SS*.Hα-helixtrans-61.9-39.7178-22.434.8000112.7T416 S423T416-P419 WeakPolarHBondContact O-CD 3.47Å; P419-S423 WeakPolarHBondContact O-CB 3.5Å; P419-S423 PolarHBondContact O-N 3.4Å
420L89.8Confident86.4Confident78 Ų7866.7 Ų66.741%0.40837%0.374SS..Hα-helixtrans-66.8-45.5178.3-178.962.7000111.4F417 V418 L422 S423 I424 L470F417-L420 HydrophobicContact CD1-CD2 4.07Å; F417-L420 PolarHBondContact O-N 2.94Å; F417-L420 VanDerWaalsContact O-N 3.14Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 3.3Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 3.3Å; L420-S423 WeakPolarHBondContact O-CB 3.27Å; L420-S423 PolarHBondContact O-N 2.89Å; L420-I424 HydrophobicContact CD1-CD1 4.02Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 HydrophobicContact CG-CD1 3.89Å; L420-I424 HydrophobicContact CG-CG1 4.47Å; L420-I424 WeakPolarHBondContact O-CG1 3.17Å; L420-I424 PolarHBondContact O-N 3.35Å; L420-L470 HydrophobicContact CD2-CD1 4.48Å; L420-L470 HydrophobicContact CG-CD1 4.39Å
421A90.9Very high85.8Confident0 Ų068.3 Ų68.30%038%0.38CS..Hα-helixtrans-57.3-46.6177.800000111.5F417 V418 I424 A425 L463 L466 L470F417-A421 WeakPolarHBondContact O-CB 3.4Å; F417-A421 PolarHBondContact O-N 2.88Å; V418-A421 PolarHBondContact O-N 3.03Å; A421-I424 PolarHBondContact O-N 3.31Å; A421-A425 WeakPolarHBondContact O-CB 3.29Å; A421-A425 PolarHBondContact O-N 3.44Å; A421-L463 HydrophobicContact CB-CD1 4Å; A421-L466 HydrophobicContact CB-CD2 3.9Å; A421-L466 HydrophobicContact CB-CG 4.07Å; A421-L470 HydrophobicContact CB-CD1 3.78Å
422L90.6Very high84.9Confident85 Ų8564.9 Ų64.945%0.44538%0.376SS..Hα-helixtrans-65.3-40.5176.4-67.8174.3000112V418 L420 A425 N426 L463V418-L422 HydrophobicContact CG1-CD1 4Å; V418-L422 HydrophobicContact CG1-CG 4.48Å; V418-L422 WeakPolarHBondContact O-CG 3.44Å; V418-L422 PolarHBondContact O-N 3.39Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 3.3Å; L422-A425 PolarHBondContact O-N 2.99Å; L422-N426 WeakPolarHBondContact O-CB 3.39Å; L422-N426 VanDerWaalsContact O-CG 3.24Å; L422-N426 PolarHBondContact O-N 3.48Å; L422-N426 PolarHBondContact O-ND2 3.48Å; L422-L463 HydrophobicContact CD2-CD1 4.2Å
423S90.1Very high84Confident57 Ų5770.4 Ų70.440%0.39939%0.391SS..Hα-helixtrans-60.3-47.9176.2-175.50000111.9P419 L420 N426 Q427P419-S423 WeakPolarHBondContact O-CB 3.5Å; P419-S423 PolarHBondContact O-N 3.4Å; L420-S423 WeakPolarHBondContact O-CB 3.27Å; L420-S423 PolarHBondContact O-N 2.89Å; S423-N426 PolarHBondContact O-N 2.78Å; S423-Q427 WeakPolarHBondContact O-CG 3.36Å; S423-Q427 PolarHBondContact O-N 3.41Å
424I89Confident82.8Confident55 Ų5574.6 Ų74.628%0.28242%0.417SS..Hα-helixtrans-63.3-46.2178.8-68170000110.5L420 A421 N426 Q427 L428 L470L420-I424 HydrophobicContact CD1-CD1 4.02Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 HydrophobicContact CG-CD1 3.89Å; L420-I424 HydrophobicContact CG-CG1 4.47Å; L420-I424 WeakPolarHBondContact O-CG1 3.17Å; L420-I424 PolarHBondContact O-N 3.35Å; A421-I424 PolarHBondContact O-N 3.31Å; I424-N426 VanDerWaalsContact C-N 3.31Å; I424-N426 PolarHBondContact O-N 2.82Å; I424-Q427 PolarHBondContact O-N 3.13Å; I424-L428 HydrophobicContact CG2-CD1 4.06Å; I424-L428 HydrophobicContact CG2-CG 4.46Å; I424-L428 WeakPolarHBondContact O-CG 3.39Å; I424-L428 PolarHBondContact O-N 3.15Å; I424-L470 HydrophobicContact CD1-CD1 4.21Å; I424-L470 HydrophobicContact CD1-CD2 3.89Å
425A85.7Confident81.3Confident46 Ų4675.6 Ų75.638%0.3844%0.44SS..Hα-helixtrans-58.5-43.6178.100000111.9A421 L422 L428 A429A421-A425 WeakPolarHBondContact O-CB 3.29Å; A421-A425 PolarHBondContact O-N 3.44Å; L422-A425 PolarHBondContact O-N 2.99Å; A425-L428 PolarHBondContact O-N 2.86Å; A425-A429 WeakPolarHBondContact O-CB 3.27Å; A425-A429 PolarHBondContact O-N 3Å
426N85.7Confident79.7Confident99 Ų9982.4 Ų82.453%0.52946%0.464SS..Hα-helixtrans-64.8-41.2176.7-74.3-27.2000112.4L422 S423 I424 A429 Q430L422-N426 WeakPolarHBondContact O-CB 3.39Å; L422-N426 VanDerWaalsContact O-CG 3.24Å; L422-N426 PolarHBondContact O-N 3.48Å; L422-N426 PolarHBondContact O-ND2 3.48Å; S423-N426 PolarHBondContact O-N 2.78Å; I424-N426 VanDerWaalsContact C-N 3.31Å; I424-N426 PolarHBondContact O-N 2.82Å; N426-A429 PolarHBondContact O-N 2.85Å; N426-Q430 WeakPolarHBondContact O-CG 3.34Å; N426-Q430 PolarHBondContact O-N 3.11Å
427Q83.8Confident78Confident112 Ų11282.6 Ų82.652%0.52347%0.465SS..Hα-helixtrans-63.9-43.3177.2-76.7-177-18.800112.1S423 I424 A429 Q430 N431S423-Q427 WeakPolarHBondContact O-CG 3.36Å; S423-Q427 PolarHBondContact O-N 3.41Å; I424-Q427 PolarHBondContact O-N 3.13Å; Q427-A429 VanDerWaalsContact C-N 3.34Å; Q427-A429 PolarHBondContact O-N 2.9Å; Q427-Q430 PolarHBondContact O-N 3.46Å; Q427-N431 VanDerWaalsContact O-CG 3.25Å; Q427-N431 PolarHBondContact O-N 2.98Å
428L80.6Confident76Confident114 Ų11490.3 Ų90.360%0.59750%0.498SS*.Hα-helixtrans-63.4-40176.1-69174.6000111.8I424 A425 Q430 N431 S432I424-L428 HydrophobicContact CG2-CD1 4.06Å; I424-L428 HydrophobicContact CG2-CG 4.46Å; I424-L428 WeakPolarHBondContact O-CG 3.39Å; I424-L428 PolarHBondContact O-N 3.15Å; A425-L428 PolarHBondContact O-N 2.86Å; L428-Q430 VanDerWaalsContact C-N 3.33Å; L428-Q430 PolarHBondContact O-N 3.3Å; L428-N431 PolarHBondContact O-N 3.11Å; L428-S432 PolarHBondContact O-N 3.43Å
429A79.2Confident73.8Confident50 Ų5097.4 Ų97.441%0.41353%0.526SS..Hα-helixtrans-68.4-27.617600000113.8A425 N426 Q427 S432A425-A429 WeakPolarHBondContact O-CB 3.27Å; A425-A429 PolarHBondContact O-N 3Å; N426-A429 PolarHBondContact O-N 2.85Å; Q427-A429 VanDerWaalsContact C-N 3.34Å; Q427-A429 PolarHBondContact O-N 2.9Å; A429-S432 PolarHBondContact O-OG 2.62Å
430Q76.7Confident71.8Confident125 Ų12599.9 Ų99.958%0.58453%0.534SS*.Hα-helixtrans-77.4-38.1172.7-73.3178.51.200111.7N426 Q427 L428 S432 K433 T434N426-Q430 WeakPolarHBondContact O-CG 3.34Å; N426-Q430 PolarHBondContact O-N 3.11Å; Q427-Q430 PolarHBondContact O-N 3.46Å; L428-Q430 VanDerWaalsContact C-N 3.33Å; L428-Q430 PolarHBondContact O-N 3.3Å; Q430-S432 VanDerWaalsContact C-N 3.3Å; Q430-S432 PolarHBondContact O-N 2.86Å; Q430-K433 PolarHBondContact O-N 3.05Å; Q430-K433 VanDerWaalsContact O-N 3.14Å; Q430-T434 WeakPolarHBondContact O-CG2 3.49Å; Q430-T434 PolarHBondContact O-N 2.89Å; Q430-T434 VanDerWaalsContact O-N 3.14Å; Q430-T434 PolarHBondContact O-OG1 3.14Å
431N74.7Confident69.8Low73 Ų7398.2 Ų98.239%0.3953%0.529SS..Hα-helixtrans-63.4-35.3178.1-72.5-12.3000112.5Q427 L428 K433 T434 V437Q427-N431 VanDerWaalsContact O-CG 3.25Å; Q427-N431 PolarHBondContact O-N 2.98Å; L428-N431 PolarHBondContact O-N 3.11Å; N431-K433 VanDerWaalsContact C-N 3.32Å; N431-K433 PolarHBondContact O-N 2.69Å; N431-T434 PolarHBondContact O-N 3.13Å; N431-T434 PolarHBondContact O-OG1 2.91Å; N431-V437 HydrophobicContact CB-CG2 4.44Å
432S64.4Low67.9Low79 Ų79102.7 Ų102.755%0.55256%0.559SS**Hα-helixtrans-67.8-28.8174.863.60000113.4L428 A429 Q430L428-S432 PolarHBondContact O-N 3.43Å; A429-S432 PolarHBondContact O-OG 2.62Å; Q430-S432 VanDerWaalsContact C-N 3.3Å; Q430-S432 PolarHBondContact O-N 2.86Å
433K62.1Low65.9Low183 Ų183105.8 Ų105.880%0.79658%0.576SS**Hα-helixtrans-79.8-30.4176.5-68.5-176.4-177.7-176.40113.7Q430 N431 G435Q430-K433 PolarHBondContact O-N 3.05Å; Q430-K433 VanDerWaalsContact O-N 3.14Å; N431-K433 VanDerWaalsContact C-N 3.32Å; N431-K433 PolarHBondContact O-N 2.69Å; K433-G435 VanDerWaalsContact C-N 3.26Å; K433-G435 PolarHBondContact O-N 3.46Å
434T60.8Low63.9Low87 Ų87110.1 Ų110.153%0.53460%0.595SS.*THydrogen-bonded Turntrans-82.62-175.554.50000114Q430 N431 K436Q430-T434 WeakPolarHBondContact O-CG2 3.49Å; Q430-T434 PolarHBondContact O-N 2.89Å; Q430-T434 VanDerWaalsContact O-N 3.14Å; Q430-T434 PolarHBondContact O-OG1 3.14Å; N431-T434 PolarHBondContact O-N 3.13Å; N431-T434 PolarHBondContact O-OG1 2.91Å; T434-K436 PolarHBondContact O-N 3.15Å
435G55.7Low62.1Low64 Ų64113.2 Ų113.266%0.6661%0.611SS**THydrogen-bonded Turntrans66.47.4176.200000114.9K433 V437K433-G435 VanDerWaalsContact C-N 3.26Å; K433-G435 PolarHBondContact O-N 3.46Å; G435-V437 VanDerWaalsContact C-N 3.28Å; G435-V437 PolarHBondContact O-N 3.44Å
436K55.1Low60.1Low189 Ų189114.6 Ų114.682%0.82263%0.63SS**  trans-76.4-13.6179-79.9-172.6174.7-179.70113.9T434T434-K436 PolarHBondContact O-N 3.15Å
437V49.9Very low58.4Low84 Ų84115 Ų11551%0.50964%0.636SS.*SBendtrans-121.8131.9176.5-172.80000106.8N431 G435 K439N431-V437 HydrophobicContact CB-CG2 4.44Å; G435-V437 VanDerWaalsContact C-N 3.28Å; G435-V437 PolarHBondContact O-N 3.44Å; V437-K439 PolarHBondContact O-N 2.74Å
438K48.7Very low56.5Low184 Ų184114.8 Ų114.880%0.864%0.638SS**  trans-47.8135.6170.4-81.9-178176.4179.10107.6D440K438-D440 PolarHBondContact O-N 2.67Å
439K47.3Very low55Low189 Ų189114.7 Ų114.782%0.82264%0.639SS**  trans-69.771.8-177.8-146.8-173.9-168.6-172.30108.2V437 S441V437-K439 PolarHBondContact O-N 2.74Å; K439-S441 PolarHBondContact O-N 2.98Å
440D48Very low53.4Low145 Ų145119.9 Ų119.978%0.77566%0.66SS**  trans-71.672.7163.2-68.3-12.8000104.9K438 C442K438-D440 PolarHBondContact O-N 2.67Å; D440-C442 PolarHBondContact O-N 2.6Å
441S46.7Very low51.8Low43 Ų43121.8 Ų121.830%0.30167%0.666SS.*  trans-63.3126-179.549.20000107.6K439 D443 D444K439-S441 PolarHBondContact O-N 2.98Å; S441-D443 PolarHBondContact O-N 3.25Å; S441-D444 PolarHBondContact O-N 3.12Å
442C51.4Low50.3Low94 Ų94123 Ų12364%0.63568%0.676SS**G310 helixtrans-55.6-14.5168.5-69.10000112.4D440 D444 L445D440-C442 PolarHBondContact O-N 2.6Å; C442-D444 PolarHBondContact O-N 2.85Å; C442-L445 HydrophobicContact CB-CD1 4.19Å; C442-L445 VanDerWaalsContact O-CB 3.31Å; C442-L445 WeakPolarHBondContact O-CB 3.2Å; C442-L445 PolarHBondContact O-N 2.92Å
443D48.1Very low49.3Very low149 Ų149126 Ų12680%0.79769%0.694SS**G310 helixtrans-56.4-24.1171.9-53.8-25.7000113S441S441-D443 PolarHBondContact O-N 3.25Å
444D49.2Very low48.8Very low149 Ų149120 Ų12080%0.79768%0.683SS**G310 helixtrans-87.3-10.1177.4-123.610.1000112.9S441 C442 G446S441-D444 PolarHBondContact O-N 3.12Å; C442-D444 PolarHBondContact O-N 2.85Å; D444-G446 VanDerWaalsContact C-N 3.35Å; D444-G446 PolarHBondContact O-N 2.51Å
445L49.7Very low48.5Very low119 Ų119125.7 Ų125.762%0.62370%0.695SS**SBendtrans-7894.8168.5-59.2171.8000105.3C442 V447C442-L445 HydrophobicContact CB-CD1 4.19Å; C442-L445 VanDerWaalsContact O-CB 3.31Å; C442-L445 WeakPolarHBondContact O-CB 3.2Å; C442-L445 PolarHBondContact O-N 2.92Å; L445-V447 HydrophobicContact CB-CG2 4.44Å; L445-V447 PolarHBondContact O-N 3.4Å
446G44.8Very low48.8Very low75 Ų75128.4 Ų128.477%0.77369%0.689SS**  trans-57.959.4179.100000114.4D444 D448D444-G446 VanDerWaalsContact C-N 3.35Å; D444-G446 PolarHBondContact O-N 2.51Å; G446-D448 PolarHBondContact O-N 2.94Å
447V49.5Very low49.4Very low107 Ų107123.6 Ų123.665%0.64868%0.677SS**  trans-73.483.4165-174.90000104.3L445 D449L445-V447 HydrophobicContact CB-CG2 4.44Å; L445-V447 PolarHBondContact O-N 3.4Å; V447-D449 VanDerWaalsContact C-N 3.33Å; V447-D449 PolarHBondContact O-N 3.43Å
448D43.9Very low50.6Low108 Ų108124.9 Ų124.958%0.57868%0.676SS**  trans-53.5102.9165.8-92.7-17.9000106.9G446 D450 K451G446-D448 PolarHBondContact O-N 2.94Å; D448-D450 PolarHBondContact O-N 2.7Å; D448-K451 HydrophobicContact CB-CB 4.44Å; D448-K451 PolarHBondContact O-N 2.81Å
449D49.2Very low52.1Low113 Ų113120.8 Ų120.860%0.60467%0.67SS**THydrogen-bonded Turntrans-57.7-9.5-172.9-110.7-32.3000113.7V447 K456V447-D449 VanDerWaalsContact C-N 3.33Å; V447-D449 PolarHBondContact O-N 3.43Å; D449-K456 VanDerWaalsContact CG-NZ 3.33Å; D449-K456 IonicContact OD1-NZ 3.94Å; D449-K456 PolarHBondContact OD1-NZ 3.35Å; D449-K456 IonicContact OD2-NZ 3.86Å
450D45.2Very low53.8Low159 Ų159119.7 Ų119.785%0.8567%0.665SS**THydrogen-bonded Turntrans-114.5-2-168.7-141.522.8000114.3D448D448-D450 PolarHBondContact O-N 2.7Å
451K43.6Very low55.5Low165 Ų165116.5 Ų116.572%0.71765%0.648SS**  trans-113.53.1-175.8-79.9-172.9-176.3166.10117D448 P453D448-K451 HydrophobicContact CB-CB 4.44Å; D448-K451 PolarHBondContact O-N 2.81Å; K451-P453 WeakPolarHBondContact O-CD 3.45Å
452T44.2Very low57.4Low99 Ų99119.4 Ų119.461%0.60766%0.659SS**  trans-88.1105.2167.933.90000110.4G454T452-G454 PolarHBondContact O-N 2.81Å
453P42.2Very low59.2Low141 Ų141117.4 Ų117.492%0.91664%0.642SS**  trans-69.897174.329.3-33000108.6K451K451-P453 WeakPolarHBondContact O-CD 3.45Å
454G51Low61.1Low56 Ų56115.8 Ų115.858%0.57763%0.625SS**SBendtrans164.2150.1179.400000112.7T452 K456T452-G454 PolarHBondContact O-N 2.81Å; G454-K456 PolarHBondContact O-N 3.37Å; G454-K456 VanDerWaalsContact O-N 3.13Å
455R55.6Low63Low208 Ų208112.5 Ų112.579%0.78561%0.61SS**PPolyproline II helixtrans-56117.8174.2-176.4-178.6-172.9161.18.5108.9
456K60.8Low65Low120 Ų120110 Ų11052%0.52260%0.597SS.*PPolyproline II helixtrans-48.5131.2175.4-70.6-168.2-177.6-171.30109.4D449 G454 K458D449-K456 VanDerWaalsContact CG-NZ 3.33Å; D449-K456 IonicContact OD1-NZ 3.94Å; D449-K456 PolarHBondContact OD1-NZ 3.35Å; D449-K456 IonicContact OD2-NZ 3.86Å; G454-K456 PolarHBondContact O-N 3.37Å; G454-K456 VanDerWaalsContact O-N 3.13Å; K456-K458 PolarHBondContact O-N 2.9Å
457P68.3Low67.3Low89 Ų89106.4 Ų106.458%0.57856%0.56SS**PPolyproline II helixtrans-59.4138.2-179.223.5-31.9000109.4I462P457-I462 HydrophobicContact CB-CG1 4.38Å; P457-I462 HydrophobicContact CG-CD1 4.42Å; P457-I462 HydrophobicContact CG-CG1 4.42Å
458K75.9Confident69.3Low111 Ų111101.4 Ų101.448%0.48353%0.529SS..PPolyproline II helixtrans-69.7151.8178.9-61175.5-179.9174.50108.4K456 K460 D461 I462K456-K458 PolarHBondContact O-N 2.9Å; K458-K460 PolarHBondContact O-N 3.27Å; K458-D461 WeakPolarHBondContact CB-OD2 3.25Å; K458-D461 PolarHBondContact N-OD2 3.11Å; K458-D461 VanDerWaalsContact N-OD2 3.11Å; K458-D461 WeakPolarHBondContact O-CA 3.47Å; K458-D461 WeakPolarHBondContact O-CB 3.23Å; K458-D461 PolarHBondContact O-N 2.82Å; K458-I462 PolarHBondContact O-N 3.06Å
459S80.5Confident71.5Confident98 Ų9897.5 Ų97.569%0.68551%0.512SS*.Hα-helixtrans-52-33.8175.656.70000113.2D461 I462 L463S459-D461 VanDerWaalsContact C-N 3.35Å; S459-I462 PolarHBondContact O-N 3.31Å; S459-L463 PolarHBondContact O-N 3.1Å
460K81.3Confident73.5Confident166 Ų16693.2 Ų93.272%0.72249%0.489SS*.Hα-helixtrans-64.8-34.6174.7-66.3-175.6178.1-178.50113.4K458 R464K458-K460 PolarHBondContact O-N 3.27Å; K460-R464 PolarHBondContact O-N 2.91Å
461D84.3Confident75.6Confident77 Ų7785.6 Ų85.641%0.41245%0.449SS..Hα-helixtrans-71.9-41.5179.1-57.2-42000110.1K458 S459 L463 R464 V465K458-D461 WeakPolarHBondContact CB-OD2 3.25Å; K458-D461 PolarHBondContact N-OD2 3.11Å; K458-D461 VanDerWaalsContact N-OD2 3.11Å; K458-D461 WeakPolarHBondContact O-CA 3.47Å; K458-D461 WeakPolarHBondContact O-CB 3.23Å; K458-D461 PolarHBondContact O-N 2.82Å; S459-D461 VanDerWaalsContact C-N 3.35Å; D461-L463 PolarHBondContact O-N 3.16Å; D461-R464 WeakPolarHBondContact O-CB 3.31Å; D461-R464 PolarHBondContact O-N 3.28Å; D461-V465 WeakPolarHBondContact O-CG2 3.41Å; D461-V465 PolarHBondContact O-N 3.24Å
462I86.5Confident77.7Confident104 Ų10479 Ų7953%0.53342%0.423SS..Hα-helixtrans-61.2-45.1174-60.4172.1000110.6P457 K458 S459 R464 V465 L466P457-I462 HydrophobicContact CB-CG1 4.38Å; P457-I462 HydrophobicContact CG-CD1 4.42Å; P457-I462 HydrophobicContact CG-CG1 4.42Å; K458-I462 PolarHBondContact O-N 3.06Å; S459-I462 PolarHBondContact O-N 3.31Å; I462-R464 VanDerWaalsContact C-N 3.3Å; I462-R464 PolarHBondContact O-N 2.98Å; I462-V465 PolarHBondContact O-N 3.42Å; I462-L466 PolarHBondContact O-N 3.43Å
463L88.3Confident79.8Confident52 Ų5281.3 Ų81.327%0.27243%0.431SS..Hα-helixtrans-60.3-41.4176.3-179.362.9000111.7V418 A421 L422 S459 D461 L466 C467V418-L463 HydrophobicContact CG1-CD2 4.46Å; A421-L463 HydrophobicContact CB-CD1 4Å; L422-L463 HydrophobicContact CD2-CD1 4.2Å; S459-L463 PolarHBondContact O-N 3.1Å; D461-L463 PolarHBondContact O-N 3.16Å; L463-L466 PolarHBondContact O-N 3.39Å; L463-C467 WeakPolarHBondContact O-CB 3.37Å; L463-C467 PolarHBondContact O-N 2.73Å; L463-C467 PolarHBondContact O-SG 2.95Å
464R88.5Confident81.9Confident115 Ų11577.6 Ų77.643%0.43441%0.408SS..Hα-helixtrans-60.2-47.1175.7177.6-176.4172.8-174.8-2.6111.2W414 K460 D461 I462 L466 C467 C468W414-R464 HydrophobicContact CD2-CG 4.31Å; W414-R464 HydrophobicContact CE3-CG 4.47Å; W414-R464 HydrophobicContact CH2-CG 4.48Å; W414-R464 HydrophobicContact CZ2-CG 4.27Å; K460-R464 PolarHBondContact O-N 2.91Å; D461-R464 WeakPolarHBondContact O-CB 3.31Å; D461-R464 PolarHBondContact O-N 3.28Å; I462-R464 VanDerWaalsContact C-N 3.3Å; I462-R464 PolarHBondContact O-N 2.98Å; R464-L466 VanDerWaalsContact C-N 3.33Å; R464-L466 PolarHBondContact O-N 3.43Å; R464-C467 WeakPolarHBondContact O-CB 3.4Å; R464-C467 PolarHBondContact O-N 3.02Å; R464-C468 PolarHBondContact O-N 3.28Å; R464-C468 PolarHBondContact O-SG 3.3Å
465V90.2Very high83.4Confident80 Ų8078 Ų7849%0.48541%0.412SS..Hα-helixtrans-58.5-46178.4172.90000110.7F406 D461 I462 C467 C468 A469F406-V465 HydrophobicContact CD2-CG1 4.12Å; F406-V465 HydrophobicContact CE2-CG1 3.8Å; D461-V465 WeakPolarHBondContact O-CG2 3.41Å; D461-V465 PolarHBondContact O-N 3.24Å; I462-V465 PolarHBondContact O-N 3.42Å; V465-C467 VanDerWaalsContact C-N 3.35Å; V465-C467 PolarHBondContact O-N 3.47Å; V465-C468 PolarHBondContact O-N 2.91Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 2.89Å
466L91.5Very high84.4Confident66 Ų6673.4 Ų73.435%0.34640%0.398SS..Hα-helixtrans-60.9-42.3175.8179.360.5000112.2A421 I462 L463 R464 A469 L470A421-L466 HydrophobicContact CB-CD2 3.9Å; A421-L466 HydrophobicContact CB-CG 4.07Å; I462-L466 PolarHBondContact O-N 3.43Å; L463-L466 PolarHBondContact O-N 3.39Å; R464-L466 VanDerWaalsContact C-N 3.33Å; R464-L466 PolarHBondContact O-N 3.43Å; L466-A469 WeakPolarHBondContact O-CB 3.49Å; L466-A469 PolarHBondContact O-N 3.45Å; L466-L470 HydrophobicContact CD1-CD1 4.43Å; L466-L470 HydrophobicContact CD1-CG 4.38Å; L466-L470 HydrophobicContact CG-CD1 4.29Å; L466-L470 WeakPolarHBondContact O-CG 3.49Å; L466-L470 PolarHBondContact O-N 3.47Å
467C92.1Very high85Confident0 Ų071.9 Ų71.90%039%0.392CS..Hα-helixtrans-64.2-42177.3-67.60000112.1W414 F417 L463 R464 V465 A469 L470 A471W414-C467 HydrophobicContact CB-CB 4.05Å; W414-C467 HydrophobicContact CE3-CB 4.07Å; W414-C467 WeakPolarHBondContact O-CB 3.37Å; F417-C467 HydrophobicContact CB-CB 4.32Å; L463-C467 WeakPolarHBondContact O-CB 3.37Å; L463-C467 PolarHBondContact O-N 2.73Å; L463-C467 PolarHBondContact O-SG 2.95Å; R464-C467 WeakPolarHBondContact O-CB 3.4Å; R464-C467 PolarHBondContact O-N 3.02Å; V465-C467 VanDerWaalsContact C-N 3.35Å; V465-C467 PolarHBondContact O-N 3.47Å; C467-A469 VanDerWaalsContact C-N 3.35Å; C467-L470 PolarHBondContact O-N 3.49Å; C467-A471 WeakPolarHBondContact O-CB 3.4Å; C467-A471 PolarHBondContact O-N 3.21Å
468C91Very high85.1Confident2 Ų270 Ų701%0.01439%0.389CS..Hα-helixtrans-62.2-43.2173.7-69.60000111.1F406 R464 V465 L470 A471 C472F406-C468 HydrophobicContact CB-CB 3.99Å; F406-C468 HydrophobicContact CD1-CB 3.76Å; F406-C468 HydrophobicContact CD2-CB 4.02Å; F406-C468 HydrophobicContact CE1-CB 4.22Å; F406-C468 HydrophobicContact CE2-CB 4.45Å; F406-C468 HydrophobicContact CG-CB 3.66Å; R464-C468 PolarHBondContact O-N 3.28Å; R464-C468 PolarHBondContact O-SG 3.3Å; V465-C468 PolarHBondContact O-N 2.91Å; C468-L470 PolarHBondContact O-N 2.71Å; C468-A471 WeakPolarHBondContact O-CB 3.47Å; C468-A471 PolarHBondContact O-N 3.27Å; C468-C472 PolarHBondContact O-N 3.07Å; C468-C472 PolarHBondContact O-SG 2.87Å
469A91.7Very high84.6Confident26 Ų2667.7 Ų67.722%0.21539%0.39CS..Hα-helixtrans-59.3-48.2177.200000112F406 V465 L466 C467 A471 C472 L473F406-A469 HydrophobicContact CE1-CB 4.3Å; F406-A469 HydrophobicContact CE2-CB 4.24Å; F406-A469 VanDerWaalsContact CZ-CA 3.48Å; F406-A469 HydrophobicContact CZ-CB 3.57Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 2.89Å; L466-A469 WeakPolarHBondContact O-CB 3.49Å; L466-A469 PolarHBondContact O-N 3.45Å; C467-A469 VanDerWaalsContact C-N 3.35Å; A469-A471 VanDerWaalsContact C-N 3.31Å; A469-A471 PolarHBondContact O-N 3.16Å; A469-C472 PolarHBondContact O-N 3.24Å; A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 VanDerWaalsContact O-CG 3.27Å; A469-L473 WeakPolarHBondContact O-CG 3.38Å; A469-L473 PolarHBondContact O-N 2.99Å
470L91.5Very high83.8Confident23 Ų2366 Ų6612%0.1238%0.376CS..Hα-helixtrans-62.7-37.9177-69.7172.1000112.2F417 L420 A421 I424 L466 C467 C468 S474F417-L470 HydrophobicContact CB-CB 4.4Å; F417-L470 HydrophobicContact CD1-CB 3.8Å; F417-L470 HydrophobicContact CE1-CB 4.48Å; F417-L470 HydrophobicContact CG-CB 4.32Å; L420-L470 HydrophobicContact CD2-CD1 4.48Å; L420-L470 HydrophobicContact CG-CD1 4.39Å; A421-L470 HydrophobicContact CB-CD1 3.78Å; I424-L470 HydrophobicContact CD1-CD1 4.21Å; I424-L470 HydrophobicContact CD1-CD2 3.89Å; L466-L470 HydrophobicContact CD1-CD1 4.43Å; L466-L470 HydrophobicContact CD1-CG 4.38Å; L466-L470 HydrophobicContact CG-CD1 4.29Å; L466-L470 WeakPolarHBondContact O-CG 3.49Å; L466-L470 PolarHBondContact O-N 3.47Å; C467-L470 PolarHBondContact O-N 3.49Å; C468-L470 PolarHBondContact O-N 2.71Å; L470-S474 VanDerWaalsContact O-CB 3.3Å; L470-S474 WeakPolarHBondContact O-CB 3.48Å; L470-S474 PolarHBondContact O-N 3.08Å; L470-S474 PolarHBondContact O-OG 2.94Å
471A87.7Confident83Confident0 Ų064 Ų640%037%0.369CS..Hα-helixtrans-62.3-48.7174.900000111.7V409 T413 F417 C467 C468 A469 S474 G475 K476V409-A471 HydrophobicContact CG1-CB 4.25Å; T413-A471 HydrophobicContact CG2-CB 4.2Å; F417-A471 HydrophobicContact CD2-CB 3.75Å; F417-A471 HydrophobicContact CE2-CB 3.64Å; F417-A471 HydrophobicContact CG-CB 4.4Å; F417-A471 HydrophobicContact CZ-CB 4.19Å; C467-A471 WeakPolarHBondContact O-CB 3.4Å; C467-A471 PolarHBondContact O-N 3.21Å; C468-A471 WeakPolarHBondContact O-CB 3.47Å; C468-A471 PolarHBondContact O-N 3.27Å; A469-A471 VanDerWaalsContact C-N 3.31Å; A469-A471 PolarHBondContact O-N 3.16Å; A471-S474 PolarHBondContact O-N 2.86Å; A471-G475 PolarHBondContact O-N 3.3Å; A471-K476 CarbonylContact O-C 3.32Å; A471-K476 WeakPolarHBondContact O-CA 3.23Å; A471-K476 PolarHBondContact O-N 3.08Å
472C87.8Confident82.1Confident25 Ų2562.7 Ų62.717%0.16937%0.366CS..Hα-helixtrans-62-45.8176.7-63.90000112.1F406 C468 A469 S474 G475 E477F406-C472 HydrophobicContact CE1-CB 4.42Å; C468-C472 PolarHBondContact O-N 3.07Å; C468-C472 PolarHBondContact O-SG 2.87Å; A469-C472 PolarHBondContact O-N 3.24Å; C472-S474 PolarHBondContact O-N 3.42Å; C472-G475 PolarHBondContact O-N 2.87Å; C472-E477 HydrophobicContact CB-CG 4.32Å
473L88.3Confident81.7Confident148 Ų14865.9 Ų65.978%0.77537%0.371SS*.Hα-helixtrans-61.8-29.6177.1-72171.5000112.7A469 G475A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 VanDerWaalsContact O-CG 3.27Å; A469-L473 WeakPolarHBondContact O-CG 3.38Å; A469-L473 PolarHBondContact O-N 2.99Å; L473-G475 PolarHBondContact O-N 3.31Å
474S87.2Confident81.3Confident64 Ų6463.6 Ų63.645%0.44836%0.36SS..THydrogen-bonded Turntrans-83.63.6175.7-54.70000113.3F417 L470 A471 C472 K476F417-S474 WeakPolarHBondContact CE1-OG 3.48Å; L470-S474 VanDerWaalsContact O-CB 3.3Å; L470-S474 WeakPolarHBondContact O-CB 3.48Å; L470-S474 PolarHBondContact O-N 3.08Å; L470-S474 PolarHBondContact O-OG 2.94Å; A471-S474 PolarHBondContact O-N 2.86Å; C472-S474 PolarHBondContact O-N 3.42Å; S474-K476 PolarHBondContact O-N 3.07Å
475G82.2Confident80.9Confident63 Ų6360.2 Ų60.265%0.64936%0.357SS*.THydrogen-bonded Turntrans67.421.1-175.400000114A471 C472 L473A471-G475 PolarHBondContact O-N 3.3Å; C472-G475 PolarHBondContact O-N 2.87Å; L473-G475 PolarHBondContact O-N 3.31Å
476K77.6Confident80.4Confident112 Ų11257.9 Ų57.949%0.48734%0.341SS..  trans-107.158.1-179.8-60.8-60.9-177.9-178.40110.6T413 F417 A471 S474 V480T413-K476 HydrophobicContact CG2-CB 4.28Å; T413-K476 WeakPolarHBondContact CG2-O 3.17Å; F417-K476 HydrophobicContact CE2-CB 4.24Å; F417-K476 HydrophobicContact CZ-CB 4.16Å; F417-K476 HydrophobicContact CZ-CG 4.2Å; A471-K476 CarbonylContact O-C 3.32Å; A471-K476 WeakPolarHBondContact O-CA 3.23Å; A471-K476 PolarHBondContact O-N 3.08Å; S474-K476 PolarHBondContact O-N 3.07Å; K476-V480 HydrophobicContact CB-CG2 4.42Å
477E72Confident80Confident89 Ų8957 Ų5742%0.41634%0.339SS..  trans-76.4-33.3178.5-62.7-177.2178.600112.4C472C472-E477 HydrophobicContact CB-CG 4.32Å
478G71.1Confident79.5Confident49 Ų4960.3 Ų60.351%0.50537%0.366SS..SBendtrans-83.5171.9178.700000113.2T413 V480T413-G478 PolarHBondContact OG1-O 3.48Å; T413-G478 VanDerWaalsContact OG1-O 3.07Å; G478-V480 PolarHBondContact O-N 3.32Å; G478-V480 VanDerWaalsContact O-N 3.09Å
479A65.1Low79.1Confident62 Ų6264.6 Ų64.651%0.51239%0.386SS..  trans-53.3119.6172.800000109.8P410 T413 E481P410-A479 HydrophobicContact CG-CB 4.06Å; T413-A479 WeakPolarHBondContact OG1-CA 2.86Å; A479-E481 VanDerWaalsContact C-N 3.3Å; A479-E481 PolarHBondContact O-N 3.11Å
480V64.2Low78.6Confident62 Ų6267.9 Ų67.938%0.37640%0.399SS..  trans-63.498.3169.11770000106.9T413 K476 G478 S482T413-V480 HydrophobicContact CG2-CG2 3.54Å; T413-V480 PolarHBondContact OG1-N 2.84Å; K476-V480 HydrophobicContact CB-CG2 4.42Å; G478-V480 PolarHBondContact O-N 3.32Å; G478-V480 VanDerWaalsContact O-N 3.09Å; V480-S482 PolarHBondContact O-N 2.83Å
481E64.7Low78.2Confident124 Ų12468.4 Ų68.458%0.57941%0.41SS*.  trans-67.3118.4172.8-65.5178.816200108.1A479 R483 I490A479-E481 VanDerWaalsContact C-N 3.3Å; A479-E481 PolarHBondContact O-N 3.11Å; E481-R483 PolarHBondContact O-N 2.84Å; E481-I490 HydrophobicContact CB-CG2 3.99Å; E481-I490 HydrophobicContact CG-CG2 4.34Å; E481-I490 WeakPolarHBondContact OE2-CG2 3.34Å
482S65.4Low78.1Confident51 Ų5170.1 Ų70.136%0.35742%0.417SS..  trans-59.9130170.143.40000108.9V480 G491 S543V480-S482 PolarHBondContact O-N 2.83Å; S482-G491 PolarHBondContact O-N 3.33Å; S482-S543 WeakPolarHBondContact OG-CB 3.48Å; S482-S543 PolarHBondContact OG-OG 2.85Å
483R77Confident78.1Confident170 Ų17069.6 Ų69.664%0.64241%0.413SS*.BIsolated β-bridgetrans-106.8142.3168.8-65.3-174.9-177.2-175.1-1.7108.4E481 A485 Q489 I490 K492E481-R483 PolarHBondContact O-N 2.84Å; R483-A485 PolarHBondContact O-N 2.9Å; R483-Q489 CarbonylContact C-O 3.59Å; R483-Q489 WeakPolarHBondContact CA-O 3.28Å; R483-I490 HydrophobicContact CG-CG1 4.2Å; R483-K492 CarbonylContact C-O 3.51Å; R483-K492 VanDerWaalsContact C-O 3.32Å
484S79.9Confident78.2Confident5 Ų562.8 Ų62.84%0.03538%0.378CS..  trans-58.9130.2174.8162.50000109.6L486 T487 A488 Q489 K492 D540S484-L486 PolarHBondContact O-N 2.81Å; S484-L486 WeakPolarHBondContact OG-CB 3.3Å; S484-L486 PolarHBondContact OG-N 3.04Å; S484-T487 WeakPolarHBondContact CB-OG1 3.12Å; S484-T487 PolarHBondContact OG-N 3.13Å; S484-T487 PolarHBondContact OG-OG1 2.71Å; S484-A488 WeakPolarHBondContact O-CA 3.28Å; S484-A488 PolarHBondContact O-N 3.24Å; S484-Q489 PolarHBondContact N-O 3.16Å; S484-K492 VanDerWaalsContact CA-O 3.25Å; S484-K492 WeakPolarHBondContact CA-O 3.36Å; S484-K492 PolarHBondContact N-O 2.98Å; S484-D540 VanDerWaalsContact CB-OD1 3.23Å; S484-D540 WeakPolarHBondContact CB-OD1 3.48Å; S484-D540 PolarHBondContact OG-OD1 3.34Å; S484-D540 PolarHBondContact OG-OD2 3.19Å; S484-D540 VanDerWaalsContact OG-OD2 3.12Å
485A80.6Confident78.5Confident44 Ų4460 Ų6036%0.36436%0.358SS..THydrogen-bonded Turntrans-68.2-14.317100000112.4R483 A494 L564 I567R483-A485 PolarHBondContact O-N 2.9Å; A485-A494 HydrophobicContact CB-CB 4.06Å; A485-L564 HydrophobicContact CB-CD2 4.34Å; A485-I567 WeakPolarHBondContact O-CD1 3.38Å; A485-I567 WeakPolarHBondContact O-CG1 3.26Å
486L79.2Confident79Confident31 Ų3159.1 Ų59.116%0.16234%0.336CS..THydrogen-bonded Turntrans-93.2-48.6-179.4-176.464.4000112S484 A494 V538 L564 L570S484-L486 PolarHBondContact O-N 2.81Å; S484-L486 WeakPolarHBondContact OG-CB 3.3Å; S484-L486 PolarHBondContact OG-N 3.04Å; L486-A494 HydrophobicContact CB-CB 3.9Å; L486-V538 HydrophobicContact CD1-CB 4.41Å; L486-V538 HydrophobicContact CD1-CG2 3.71Å; L486-V538 HydrophobicContact CD2-CB 4.28Å; L486-V538 HydrophobicContact CD2-CG2 3.95Å; L486-V538 HydrophobicContact CG-CG2 4.5Å; L486-L564 HydrophobicContact CB-CD2 4.24Å; L486-L570 HydrophobicContact CD1-CD1 4.03Å
487T82.9Confident79.8Confident48 Ų4853.8 Ų53.829%0.29431%0.313SS..THydrogen-bonded Turntrans-117.1-2.2-170.960.60000114.6S484 Q489 S527 D540S484-T487 WeakPolarHBondContact CB-OG1 3.12Å; S484-T487 PolarHBondContact OG-N 3.13Å; S484-T487 PolarHBondContact OG-OG1 2.71Å; T487-Q489 PolarHBondContact O-N 2.99Å; T487-Q489 WeakPolarHBondContact OG1-CG 3.2Å; T487-Q489 PolarHBondContact OG1-N 3.09Å; T487-S527 WeakPolarHBondContact CG2-OG 3.42Å; T487-D540 WeakPolarHBondContact CB-OD2 3.47Å; T487-D540 WeakPolarHBondContact CG2-OD2 3.26Å; T487-D540 PolarHBondContact OG1-OD2 2.82Å
488A83Confident80.7Confident68 Ų6852.7 Ų52.756%0.56231%0.308SS*.  trans58.69.9-172.200000115S484S484-A488 WeakPolarHBondContact O-CA 3.28Å; S484-A488 PolarHBondContact O-N 3.24Å
489Q82.7Confident81.6Confident93 Ų9350.9 Ų50.944%0.43529%0.286SS..  trans-68.2137177.8-71.3-172.8-1.600111.4R483 S484 T487 K492R483-Q489 CarbonylContact C-O 3.59Å; R483-Q489 WeakPolarHBondContact CA-O 3.28Å; S484-Q489 PolarHBondContact N-O 3.16Å; T487-Q489 PolarHBondContact O-N 2.99Å; T487-Q489 WeakPolarHBondContact OG1-CG 3.2Å; T487-Q489 PolarHBondContact OG1-N 3.09Å; Q489-K492 HydrophobicContact CB-CB 4.19Å; Q489-K492 HydrophobicContact CB-CG 3.85Å
490I81.4Confident82.7Confident95 Ų9552.5 Ų52.549%0.48729%0.287SS..BIsolated β-bridgetrans-72.1138.1179-63.4172.5000109.8E481 R483 K492E481-I490 HydrophobicContact CB-CG2 3.99Å; E481-I490 HydrophobicContact CG-CG2 4.34Å; E481-I490 WeakPolarHBondContact OE2-CG2 3.34Å; R483-I490 HydrophobicContact CG-CG1 4.2Å; I490-K492 PolarHBondContact O-N 3.14Å
491G81.4Confident83.9Confident34 Ų3453.5 Ų53.535%0.35129%0.286SS..THydrogen-bonded Turntrans73.215.9178.700000113.8S482 S543S482-G491 PolarHBondContact O-N 3.33Å; G491-S543 VanDerWaalsContact C-OG 3.28Å; G491-S543 PolarHBondContact O-N 3.14Å; G491-S543 PolarHBondContact O-OG 2.97Å
492K86Confident85Confident36 Ų3653.1 Ų53.116%0.15729%0.287CS..EExtended strand (participates in β ladder)trans-116.4139176.3-63.8-67.1-174.6172.80109.7R483 S484 Q489 I490 D540 L541 S543R483-K492 CarbonylContact C-O 3.51Å; R483-K492 VanDerWaalsContact C-O 3.32Å; S484-K492 VanDerWaalsContact CA-O 3.25Å; S484-K492 WeakPolarHBondContact CA-O 3.36Å; S484-K492 PolarHBondContact N-O 2.98Å; Q489-K492 HydrophobicContact CB-CB 4.19Å; Q489-K492 HydrophobicContact CB-CG 3.85Å; I490-K492 PolarHBondContact O-N 3.14Å; K492-D540 HydrophobicContact CB-CB 4.32Å; K492-L541 CarbonylContact C-O 3.6Å; K492-L541 VanDerWaalsContact CA-O 3.31Å; K492-L541 WeakPolarHBondContact CA-O 3.08Å; K492-S543 VanDerWaalsContact C-OG 3.27Å; K492-S543 PolarHBondContact N-OG 2.84Å
493T88.4Confident86.1Confident14 Ų1450.7 Ų50.79%0.08627%0.27CS..EExtended strand (participates in β ladder)trans-113127.3174.6-59.70000108.7Y495 D540 L541 S543 D546 L563T493-Y495 HydrophobicContact CG2-CD2 4.19Å; T493-Y495 HydrophobicContact CG2-CE2 3.65Å; T493-Y495 WeakPolarHBondContact O-CD2 3.3Å; T493-D540 WeakPolarHBondContact O-CA 3.22Å; T493-L541 PolarHBondContact N-O 3.35Å; T493-L541 PolarHBondContact O-N 3.21Å; T493-S543 PolarHBondContact N-OG 2.63Å; T493-S543 WeakPolarHBondContact OG1-CB 3.38Å; T493-S543 PolarHBondContact OG1-OG 2.88Å; T493-D546 WeakPolarHBondContact CB-OD1 3.4Å; T493-D546 VanDerWaalsContact OG1-CG 3.25Å; T493-D546 PolarHBondContact OG1-OD1 3.02Å; T493-D546 PolarHBondContact OG1-OD2 3.26Å; T493-L563 HydrophobicContact CG2-CD2 3.25Å
494A90.8Very high86.5Confident5 Ų553.6 Ų53.64%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-84.4131.5177.900000110.1A485 L486 F539 D540 L564A485-A494 HydrophobicContact CB-CB 4.06Å; L486-A494 HydrophobicContact CB-CB 3.9Å; A494-F539 WeakPolarHBondContact CA-O 3.4Å; A494-D540 WeakPolarHBondContact CA-OD1 3.25Å; A494-D540 WeakPolarHBondContact CB-OD1 3.23Å; A494-L564 HydrophobicContact CB-CB 3.73Å; A494-L564 HydrophobicContact CB-CD2 3.71Å; A494-L564 HydrophobicContact CB-CG 4.34Å; A494-L564 VanDerWaalsContact O-CB 3.27Å; A494-L564 WeakPolarHBondContact O-CB 3.47Å; A494-L564 PolarHBondContact O-N 3.31Å
495Y93.1Very high86.9Confident4 Ų456.4 Ų56.42%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-117147.9178.1-78-88.7000110.9T493 V538 F539 L541 D546 V549 L561 S562 L563T493-Y495 HydrophobicContact CG2-CD2 4.19Å; T493-Y495 HydrophobicContact CG2-CE2 3.65Å; T493-Y495 WeakPolarHBondContact O-CD2 3.3Å; Y495-V538 VanDerWaalsContact O-CA 3.28Å; Y495-V538 WeakPolarHBondContact O-CA 3.41Å; Y495-F539 HydrophobicContact CG-CE2 4.44Å; Y495-F539 PolarHBondContact N-O 3.1Å; Y495-F539 PolarHBondContact O-N 3.42Å; Y495-F539 VanDerWaalsContact O-N 3.11Å; Y495-L541 HydrophobicContact CD2-CB 4.22Å; Y495-L541 HydrophobicContact CD2-CD1 4.04Å; Y495-L541 HydrophobicContact CD2-CG 4.38Å; Y495-L541 HydrophobicContact CE2-CB 4.2Å; Y495-L541 HydrophobicContact CE2-CD1 4.12Å; Y495-D546 WeakPolarHBondContact OH-CA 3.2Å; Y495-D546 PolarHBondContact OH-OD1 2.83Å; Y495-D546 VanDerWaalsContact OH-OD1 3.13Å; Y495-V549 HydrophobicContact CD1-CG1 4.44Å; Y495-V549 HydrophobicContact CE1-CG1 3.7Å; Y495-L561 HydrophobicContact CD1-CD1 4.07Å; Y495-L561 HydrophobicContact CD1-CD2 4.26Å; Y495-L561 HydrophobicContact CD1-CG 3.96Å; Y495-L561 HydrophobicContact CG-CD1 4.38Å; Y495-S562 WeakPolarHBondContact CA-O 3.43Å; Y495-L563 HydrophobicContact CD1-CD2 4.21Å; Y495-L563 HydrophobicContact CE1-CD2 3.64Å; Y495-L563 HydrophobicContact CE1-CG 4.24Å; Y495-L563 HydrophobicContact CE2-CD2 4.22Å
496K93Very high87.2Confident46 Ų4657.5 Ų57.520%0.230%0.297CS..EExtended strand (participates in β ladder)trans-112.9118171.8-166.7-171.8-174.7-172.10108.6E498 I531 V538 L561 S562 L564K496-E498 HydrophobicContact CD-CG 3.83Å; K496-E498 WeakPolarHBondContact CE-OE1 3.28Å; K496-E498 HydrophobicContact CG-CG 4.04Å; K496-E498 IonicContact NZ-OE1 2.65Å; K496-E498 PolarHBondContact NZ-OE1 3.14Å; K496-I531 HydrophobicContact CD-CD1 4.37Å; K496-I531 HydrophobicContact CG-CD1 3.86Å; K496-V538 HydrophobicContact CG-CG1 4.25Å; K496-L561 WeakPolarHBondContact O-CA 3.38Å; K496-S562 PolarHBondContact N-O 2.64Å; K496-S562 PolarHBondContact O-N 3.33Å; K496-L564 HydrophobicContact CB-CD1 3.79Å; K496-L564 HydrophobicContact CD-CD1 4.38Å; K496-L564 HydrophobicContact CG-CD1 4.2Å
497L92.8Very high87.7Confident0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-102.6102.4171.5179.463.8000108.6L499 T512 L513 G536 Y537 F539 W553 A559 K560 L561L497-L499 HydrophobicContact CG-CD2 4.46Å; L497-T512 HydrophobicContact CD2-CG2 4.24Å; L497-L513 HydrophobicContact CD2-CD2 4.44Å; L497-L513 HydrophobicContact CD2-CG 4.5Å; L497-G536 CarbonylContact O-C 3.58Å; L497-G536 WeakPolarHBondContact O-CA 3.45Å; L497-Y537 HydrophobicContact CD2-CD2 4.06Å; L497-Y537 PolarHBondContact N-O 3.45Å; L497-Y537 PolarHBondContact O-N 3.37Å; L497-F539 HydrophobicContact CB-CE1 3.91Å; L497-W553 HydrophobicContact CD1-CH2 4.18Å; L497-W553 HydrophobicContact CD1-CZ2 3.73Å; L497-A559 HydrophobicContact CD1-CB 4.15Å; L497-K560 WeakPolarHBondContact CA-O 3.02Å; L497-L561 HydrophobicContact CB-CD1 4.08Å; L497-L561 HydrophobicContact CD1-CB 4.34Å; L497-L561 HydrophobicContact CD1-CD1 4.24Å
498E91.1Very high88Confident66 Ų6658.4 Ų58.431%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-88.4130.6176.7-63.9-179.3137.500109.9K496 A559 K560K496-E498 HydrophobicContact CD-CG 3.83Å; K496-E498 WeakPolarHBondContact CE-OE1 3.28Å; K496-E498 HydrophobicContact CG-CG 4.04Å; K496-E498 IonicContact NZ-OE1 2.65Å; K496-E498 PolarHBondContact NZ-OE1 3.14Å; E498-A559 CarbonylContact O-C 3.57Å; E498-A559 WeakPolarHBondContact O-CA 3.33Å; E498-K560 HydrophobicContact CB-CB 4.37Å; E498-K560 PolarHBondContact N-O 3.15Å; E498-K560 PolarHBondContact O-N 3.4Å
499L90.9Very high88.3Confident10 Ų1055.1 Ų55.15%0.05228%0.283CS..EExtended strand (participates in β ladder)trans-109144.8175.5-61.9177000109.6L497 F501 A503 L508 M535 Y537 Q558 A559L497-L499 HydrophobicContact CG-CD2 4.46Å; L499-F501 WeakPolarHBondContact CB-O 3.29Å; L499-F501 HydrophobicContact CD1-CE2 4.22Å; L499-F501 HydrophobicContact CD1-CZ 4.3Å; L499-F501 HydrophobicContact CD2-CZ 4.43Å; L499-F501 PolarHBondContact O-N 3.18Å; L499-A503 HydrophobicContact CD1-CB 3.89Å; L499-L508 HydrophobicContact CD1-CD2 4.09Å; L499-M535 PolarHBondContact N-O 3.41Å; L499-Y537 HydrophobicContact CD1-CD2 4.37Å; L499-Y537 HydrophobicContact CD1-CE2 3.67Å; L499-Q558 WeakPolarHBondContact CA-O 3.45Å; L499-A559 HydrophobicContact CD2-CB 3.86Å
500N88.9Confident88.8Confident97 Ų9753.5 Ų53.552%0.51928%0.275SS..SBendtrans-82.56.4173.170-13.3000113.4Q558N500-Q558 PolarHBondContact N-O 2.83Å; N500-Q558 VanDerWaalsContact N-O 3.14Å; N500-Q558 PolarHBondContact OD1-O 3.11Å
501F89.2Confident89.2Confident83 Ų8351.1 Ų51.136%0.36427%0.269SS..SBendtrans-140.5162.5176.461-96.8000111.4L499 A503 L508L499-F501 WeakPolarHBondContact CB-O 3.29Å; L499-F501 HydrophobicContact CD1-CE2 4.22Å; L499-F501 HydrophobicContact CD1-CZ 4.3Å; L499-F501 HydrophobicContact CD2-CZ 4.43Å; L499-F501 PolarHBondContact O-N 3.18Å; F501-A503 PolarHBondContact O-N 2.97Å; F501-L508 HydrophobicContact CE2-CD2 3.56Å; F501-L508 HydrophobicContact CZ-CD2 4.06Å
502I88.1Confident89.5Confident115 Ų11550.2 Ų50.259%0.5926%0.257SS*.  trans-72.6118.5179.8-61.8172.6000109.8K534 M535I502-K534 HydrophobicContact CG2-CB 3.96Å; I502-M535 HydrophobicContact CG1-SD 3.8Å
503A87.4Confident89.7Confident0 Ų048.5 Ų48.50%025%0.25CC..  trans-73.9133.4175.100000112.5L499 F501 L508 F530 K534 Y537L499-A503 HydrophobicContact CD1-CB 3.89Å; F501-A503 PolarHBondContact O-N 2.97Å; A503-L508 HydrophobicContact CB-CD2 4.05Å; A503-F530 HydrophobicContact CB-CE1 3.8Å; A503-K534 WeakPolarHBondContact CB-O 3.31Å; A503-K534 PolarHBondContact N-O 3.02Å; A503-K534 WeakPolarHBondContact O-CB 3.37Å; A503-K534 WeakPolarHBondContact O-CD 3.42Å; A503-Y537 HydrophobicContact CB-CE1 4.4Å; A503-Y537 HydrophobicContact CB-CE2 4.13Å; A503-Y537 WeakPolarHBondContact CB-OH 3.31Å
504R85.2Confident89.9Confident232 Ų23253.3 Ų53.388%0.87527%0.266SS*.  trans-89.1-28-178.6-65-176.7-178.2165.50.7114.3
505S89.3Confident89.8Confident63 Ų6358.8 Ų58.844%0.44130%0.295SS..  trans-157.2154.2-176.172.70000111.5G507 L508 Y537S505-G507 PolarHBondContact O-N 3.37Å; S505-G507 VanDerWaalsContact O-N 3.16Å; S505-L508 WeakPolarHBondContact O-CB 3.27Å; S505-L508 PolarHBondContact O-N 2.91Å; S505-L508 VanDerWaalsContact O-N 3.12Å; S505-Y537 PolarHBondContact O-OH 2.92Å
506K87.4Confident89.6Confident68 Ų6861.2 Ų61.230%0.29631%0.306SS..Hα-helixtrans-57.8-26.5174.5-68.9-170.7-178.4-170.80113.4L508 A509 F510 L528 F530 E573K506-L508 PolarHBondContact O-N 3.42Å; K506-A509 VanDerWaalsContact O-CB 3.3Å; K506-A509 WeakPolarHBondContact O-CB 3.46Å; K506-A509 PolarHBondContact O-N 3.05Å; K506-F510 WeakPolarHBondContact O-CD2 3.46Å; K506-L528 HydrophobicContact CB-CD2 3.82Å; K506-L528 HydrophobicContact CD-CD2 4.26Å; K506-L528 WeakPolarHBondContact CE-O 3.17Å; K506-L528 HydrophobicContact CG-CD2 4.17Å; K506-L528 PolarHBondContact NZ-O 3Å; K506-F530 HydrophobicContact CG-CD2 4.14Å; K506-F530 HydrophobicContact CG-CE2 3.53Å; K506-F530 HydrophobicContact CG-CZ 4.09Å; K506-E573 VanDerWaalsContact CE-OE1 3.27Å; K506-E573 WeakPolarHBondContact CE-OE1 3.36Å; K506-E573 VanDerWaalsContact NZ-CD 3.33Å; K506-E573 IonicContact NZ-OE1 3.53Å; K506-E573 PolarHBondContact NZ-OE1 3.48Å; K506-E573 IonicContact NZ-OE2 3.88Å; K506-E573 PolarHBondContact NZ-OE2 3.38Å
507G88.3Confident89.5Confident45 Ų4559.4 Ų59.446%0.46430%0.299SS..Hα-helixtrans-60-29.9177.400000113.4S505 A509 F510 A511S505-G507 PolarHBondContact O-N 3.37Å; S505-G507 VanDerWaalsContact O-N 3.16Å; G507-A509 VanDerWaalsContact C-N 3.33Å; G507-A509 PolarHBondContact O-N 3.4Å; G507-F510 PolarHBondContact O-N 3.11Å; G507-A511 PolarHBondContact O-N 2.93Å; G507-A511 VanDerWaalsContact O-N 3.08Å
508L90.1Very high89.3Confident52 Ų5261.8 Ų61.827%0.27231%0.314SS..Hα-helixtrans-64.6-37.2175.3176.971.3000111.7L499 F501 A503 S505 K506 F510 A511 T512L499-L508 HydrophobicContact CD1-CD2 4.09Å; F501-L508 HydrophobicContact CE2-CD2 3.56Å; F501-L508 HydrophobicContact CZ-CD2 4.06Å; A503-L508 HydrophobicContact CB-CD2 4.05Å; S505-L508 WeakPolarHBondContact O-CB 3.27Å; S505-L508 PolarHBondContact O-N 2.91Å; S505-L508 VanDerWaalsContact O-N 3.12Å; K506-L508 PolarHBondContact O-N 3.42Å; L508-F510 VanDerWaalsContact C-N 3.33Å; L508-F510 PolarHBondContact O-N 3.18Å; L508-A511 PolarHBondContact O-N 3.37Å; L508-T512 PolarHBondContact O-N 3.01Å; L508-T512 PolarHBondContact O-OG1 3.45Å
509A89.2Confident89.2Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-56.1-49.8176.200000111K506 G507 A511 T512 L513 L528 Y537K506-A509 VanDerWaalsContact O-CB 3.3Å; K506-A509 WeakPolarHBondContact O-CB 3.46Å; K506-A509 PolarHBondContact O-N 3.05Å; G507-A509 VanDerWaalsContact C-N 3.33Å; G507-A509 PolarHBondContact O-N 3.4Å; A509-A511 VanDerWaalsContact C-N 3.34Å; A509-A511 PolarHBondContact O-N 3.22Å; A509-T512 PolarHBondContact O-N 3.38Å; A509-L513 WeakPolarHBondContact O-CB 3.46Å; A509-L513 WeakPolarHBondContact O-CG 3.16Å; A509-L513 PolarHBondContact O-N 3.01Å; A509-L528 HydrophobicContact CB-CD1 3.9Å; A509-L528 HydrophobicContact CB-CD2 3.78Å; A509-L528 HydrophobicContact CB-CG 4.47Å; A509-Y537 HydrophobicContact CB-CD1 3.97Å; A509-Y537 HydrophobicContact CB-CD2 3.61Å; A509-Y537 HydrophobicContact CB-CE1 3.91Å; A509-Y537 HydrophobicContact CB-CE2 3.56Å; A509-Y537 HydrophobicContact CB-CG 3.8Å
510F92.6Very high89.3Confident58 Ų5868.1 Ų68.125%0.25435%0.347SS..Hα-helixtrans-64.4-38.2178.4-66.8-81.7000112.2K506 G507 L508 L513 R514 V522 V525 L528K506-F510 WeakPolarHBondContact O-CD2 3.46Å; G507-F510 PolarHBondContact O-N 3.11Å; L508-F510 VanDerWaalsContact C-N 3.33Å; L508-F510 PolarHBondContact O-N 3.18Å; F510-L513 PolarHBondContact O-N 3.22Å; F510-R514 WeakPolarHBondContact O-CB 3.41Å; F510-R514 VanDerWaalsContact O-CG 3.31Å; F510-R514 WeakPolarHBondContact O-CG 3.37Å; F510-R514 PolarHBondContact O-N 3Å; F510-V522 HydrophobicContact CB-CG1 4.4Å; F510-V522 HydrophobicContact CD1-CG1 3.74Å; F510-V525 HydrophobicContact CE1-CB 3.94Å; F510-V525 HydrophobicContact CE1-CG1 4.07Å; F510-V525 HydrophobicContact CZ-CG1 4.31Å; F510-L528 HydrophobicContact CD2-CD2 4.1Å; F510-L528 HydrophobicContact CE2-CD2 3.49Å; F510-L528 VanDerWaalsContact CE2-CD2 3.49Å; F510-L528 HydrophobicContact CZ-CD2 4.04Å
511A89.1Confident89.4Confident45 Ų4563.7 Ų63.737%0.37232%0.323SS..Hα-helixtrans-62.7-46.317500000111.8G507 L508 A509 L513 R514 N515G507-A511 PolarHBondContact O-N 2.93Å; G507-A511 VanDerWaalsContact O-N 3.08Å; L508-A511 PolarHBondContact O-N 3.37Å; A509-A511 VanDerWaalsContact C-N 3.34Å; A509-A511 PolarHBondContact O-N 3.22Å; A511-L513 VanDerWaalsContact C-N 3.34Å; A511-L513 PolarHBondContact O-N 3.49Å; A511-R514 PolarHBondContact O-N 3.21Å; A511-N515 PolarHBondContact O-N 2.99Å; A511-N515 PolarHBondContact O-OD1 3.45Å
512T89.6Confident89.5Confident15 Ų1559.8 Ų59.89%0.09231%0.306CS..Hα-helixtrans-61.4-41.8176-56.50000111.6L497 L508 A509 N515 W553 A559L497-T512 HydrophobicContact CD2-CG2 4.24Å; L508-T512 PolarHBondContact O-N 3.01Å; L508-T512 PolarHBondContact O-OG1 3.45Å; A509-T512 PolarHBondContact O-N 3.38Å; T512-N515 PolarHBondContact O-N 3.38Å; T512-W553 HydrophobicContact CG2-CH2 4.41Å; T512-A559 HydrophobicContact CG2-CB 3.61Å
513L90.3Very high89.7Confident1 Ų158.9 Ų58.91%0.00530%0.303CS..Hα-helixtrans-66.8-41.5177.7-67169000112L497 A509 F510 A511 N515 H516 L517 V522 V525 F539 W553L497-L513 HydrophobicContact CD2-CD2 4.44Å; L497-L513 HydrophobicContact CD2-CG 4.5Å; A509-L513 WeakPolarHBondContact O-CB 3.46Å; A509-L513 WeakPolarHBondContact O-CG 3.16Å; A509-L513 PolarHBondContact O-N 3.01Å; F510-L513 PolarHBondContact O-N 3.22Å; A511-L513 VanDerWaalsContact C-N 3.34Å; A511-L513 PolarHBondContact O-N 3.49Å; L513-N515 PolarHBondContact O-N 2.96Å; L513-H516 PolarHBondContact O-N 3.35Å; L513-H516 VanDerWaalsContact O-N 3.11Å; L513-L517 HydrophobicContact CD2-CD1 4.04Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 PolarHBondContact O-N 3.24Å; L513-V522 HydrophobicContact CB-CG1 4.25Å; L513-V522 HydrophobicContact CB-CG2 3.96Å; L513-V525 HydrophobicContact CD1-CG2 3.88Å; L513-F539 HydrophobicContact CD1-CE1 4.14Å; L513-F539 HydrophobicContact CD1-CE2 4.32Å; L513-F539 HydrophobicContact CD1-CZ 3.91Å; L513-F539 HydrophobicContact CD2-CE1 4.29Å; L513-F539 HydrophobicContact CD2-CE2 4.49Å; L513-F539 HydrophobicContact CD2-CZ 3.7Å; L513-F539 HydrophobicContact CG-CZ 4.44Å; L513-W553 HydrophobicContact CD2-CH2 3.8Å; L513-W553 HydrophobicContact CD2-CZ3 3.74Å
514R91.6Very high89.9Confident114 Ų11459.8 Ų59.843%0.4331%0.309SS..Hα-helixtrans-62.2-23.2178-77.1-173.7-174.198.55.5114F510 A511 H516 E519 V522F510-R514 WeakPolarHBondContact O-CB 3.41Å; F510-R514 VanDerWaalsContact O-CG 3.31Å; F510-R514 WeakPolarHBondContact O-CG 3.37Å; F510-R514 PolarHBondContact O-N 3Å; A511-R514 PolarHBondContact O-N 3.21Å; R514-H516 PolarHBondContact O-N 2.98Å; R514-E519 IonicContact CZ-OE1 2.85Å; R514-E519 IonicContact NE-OE1 2.63Å; R514-E519 PolarHBondContact NE-OE1 3.36Å; R514-E519 IonicContact NH2-OE1 3.77Å; R514-V522 HydrophobicContact CG-CB 4.28Å; R514-V522 HydrophobicContact CG-CG1 3.92Å; R514-V522 HydrophobicContact CG-CG2 4.07Å
515N88.9Confident90.3Very high120 Ų12049.5 Ų49.564%0.64227%0.272SS*.THydrogen-bonded Turntrans-67.6-23.2176.8-67.6-17.9000112.8A511 T512 L513A511-N515 PolarHBondContact O-N 2.99Å; A511-N515 PolarHBondContact O-OD1 3.45Å; T512-N515 PolarHBondContact O-N 3.38Å; L513-N515 PolarHBondContact O-N 2.96Å
516H88.3Confident90.2Very high56 Ų5650.8 Ų50.826%0.25927%0.271SS..THydrogen-bonded Turntrans-128.7-21.2-172.4-57.1-58000114L513 R514 T552 W553L513-H516 PolarHBondContact O-N 3.35Å; L513-H516 VanDerWaalsContact O-N 3.11Å; R514-H516 PolarHBondContact O-N 2.98Å; H516-T552 VanDerWaalsContact O-CG2 3.26Å; H516-T552 WeakPolarHBondContact O-CG2 3.49Å; H516-W553 HydrophobicContact CB-CE3 3.88Å; H516-W553 HydrophobicContact CB-CH2 4.5Å; H516-W553 HydrophobicContact CB-CZ3 3.83Å; H516-W553 AromaticContact CD2-CH2 3.92Å
517L90.5Very high90.2Very high7 Ų750 Ų504%0.03727%0.274CS..SBendtrans-119.5143.3-177.3-61.1174.3000110.5L513 I521 V522 F548 V549 W553L513-L517 HydrophobicContact CD2-CD1 4.04Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 PolarHBondContact O-N 3.24Å; L517-I521 HydrophobicContact CD1-CG2 4.26Å; L517-V522 HydrophobicContact CB-CG2 3.95Å; L517-F548 HydrophobicContact CD2-CD1 4.31Å; L517-F548 HydrophobicContact CD2-CE1 4.27Å; L517-V549 HydrophobicContact CD1-CG2 4.35Å; L517-V549 HydrophobicContact CD2-CG2 4.18Å; L517-W553 HydrophobicContact CD1-CE3 4.13Å; L517-W553 HydrophobicContact CD1-CZ3 3.95Å; L517-W553 HydrophobicContact CD2-CE3 4.44Å; L517-W553 HydrophobicContact CG-CE3 4.07Å; L517-W553 HydrophobicContact CG-CZ3 4.03Å
518P89.9Confident90.3Very high51 Ų5148.7 Ų48.733%0.33126%0.256SS..  trans-67153.2178.930.1-36.8000111.9N520 I521 V522 F548P518-N520 VanDerWaalsContact CB-OD1 3.23Å; P518-N520 WeakPolarHBondContact CB-OD1 3.35Å; P518-N520 VanDerWaalsContact CG-OD1 3.25Å; P518-N520 WeakPolarHBondContact CG-OD1 3.48Å; P518-N520 PolarHBondContact O-N 3.46Å; P518-N520 VanDerWaalsContact O-N 3.1Å; P518-I521 HydrophobicContact CG-CB 4.45Å; P518-I521 HydrophobicContact CG-CD1 3.83Å; P518-I521 HydrophobicContact CG-CG1 4Å; P518-I521 PolarHBondContact O-N 3.19Å; P518-V522 PolarHBondContact O-N 3.46Å; P518-V522 VanDerWaalsContact O-N 3.14Å; P518-F548 HydrophobicContact CG-CE1 3.97Å; P518-F548 HydrophobicContact CG-CZ 4.21Å
519E89.6Confident90.4Very high105 Ų10547.4 Ų47.449%0.49125%0.251SS..Hα-helixtrans-49.3-38.7-176.9-93.1-90.6139.600113.5R514 I521 V522 N523R514-E519 IonicContact CZ-OE1 2.85Å; R514-E519 IonicContact NE-OE1 2.63Å; R514-E519 PolarHBondContact NE-OE1 3.36Å; R514-E519 IonicContact NH2-OE1 3.77Å; E519-I521 VanDerWaalsContact C-N 3.34Å; E519-I521 PolarHBondContact O-N 3.47Å; E519-V522 PolarHBondContact O-N 3.04Å; E519-N523 VanDerWaalsContact O-CB 3.26Å; E519-N523 WeakPolarHBondContact O-CB 3.45Å; E519-N523 PolarHBondContact O-N 3.32Å; E519-N523 PolarHBondContact O-ND2 3.4Å; E519-N523 VanDerWaalsContact O-ND2 3.08Å; E519-N523 PolarHBondContact OE2-ND2 3.47Å
520N91.5Very high90.5Very high103 Ų10348.4 Ų48.455%0.55126%0.256SS*.Hα-helixtrans-63.8-35.9179.865.1-51.2000113.3P518 S524P518-N520 VanDerWaalsContact CB-OD1 3.23Å; P518-N520 WeakPolarHBondContact CB-OD1 3.35Å; P518-N520 VanDerWaalsContact CG-OD1 3.25Å; P518-N520 WeakPolarHBondContact CG-OD1 3.48Å; P518-N520 PolarHBondContact O-N 3.46Å; P518-N520 VanDerWaalsContact O-N 3.1Å; N520-S524 PolarHBondContact O-N 3.46Å
521I91.9Very high90.4Very high5 Ų546.5 Ų46.53%0.02625%0.248CC..Hα-helixtrans-77.5-41176.6-61.4-179.6000109.8L517 P518 E519 N523 S524 L541 H545 F548 V549L517-I521 HydrophobicContact CD1-CG2 4.26Å; P518-I521 HydrophobicContact CG-CB 4.45Å; P518-I521 HydrophobicContact CG-CD1 3.83Å; P518-I521 HydrophobicContact CG-CG1 4Å; P518-I521 PolarHBondContact O-N 3.19Å; E519-I521 VanDerWaalsContact C-N 3.34Å; E519-I521 PolarHBondContact O-N 3.47Å; I521-N523 VanDerWaalsContact C-N 3.32Å; I521-N523 PolarHBondContact O-N 3.21Å; I521-S524 PolarHBondContact O-N 3.06Å; I521-S524 VanDerWaalsContact O-N 3.08Å; I521-S524 PolarHBondContact O-OG 3.39Å; I521-L541 HydrophobicContact CG2-CD1 4.13Å; I521-L541 HydrophobicContact CG2-CD2 3.96Å; I521-L541 WeakPolarHBondContact O-CD2 3.5Å; I521-H545 HydrophobicContact CD1-CB 4.27Å; I521-H545 HydrophobicContact CG2-CB 4.4Å; I521-F548 HydrophobicContact CD1-CD1 3.39Å; I521-F548 HydrophobicContact CD1-CE1 3.84Å; I521-F548 HydrophobicContact CD1-CG 4.09Å; I521-V549 HydrophobicContact CG2-CG2 4.5Å
522V91.8Very high90.3Very high1 Ų152 Ų521%0.00626%0.259CS..Hα-helixtrans-64.7-38.6179.5-178.80000111.6F510 L513 R514 L517 P518 E519 S524 V525F510-V522 HydrophobicContact CB-CG1 4.4Å; F510-V522 HydrophobicContact CD1-CG1 3.74Å; L513-V522 HydrophobicContact CB-CG1 4.25Å; L513-V522 HydrophobicContact CB-CG2 3.96Å; R514-V522 HydrophobicContact CG-CB 4.28Å; R514-V522 HydrophobicContact CG-CG1 3.92Å; R514-V522 HydrophobicContact CG-CG2 4.07Å; L517-V522 HydrophobicContact CB-CG2 3.95Å; P518-V522 PolarHBondContact O-N 3.46Å; P518-V522 VanDerWaalsContact O-N 3.14Å; E519-V522 PolarHBondContact O-N 3.04Å; V522-S524 PolarHBondContact O-N 3.33Å; V522-V525 WeakPolarHBondContact O-CB 3.38Å; V522-V525 WeakPolarHBondContact O-CG2 3.36Å; V522-V525 PolarHBondContact O-N 3.28Å
523N92.3Very high90.2Very high96 Ų9653.6 Ų53.651%0.51328%0.279SS..THydrogen-bonded Turntrans-72.6-11.6176.5-66.5-27.3000112.8E519 I521E519-N523 VanDerWaalsContact O-CB 3.26Å; E519-N523 WeakPolarHBondContact O-CB 3.45Å; E519-N523 PolarHBondContact O-N 3.32Å; E519-N523 PolarHBondContact O-ND2 3.4Å; E519-N523 VanDerWaalsContact O-ND2 3.08Å; E519-N523 PolarHBondContact OE2-ND2 3.47Å; I521-N523 VanDerWaalsContact C-N 3.32Å; I521-N523 PolarHBondContact O-N 3.21Å
524S91.5Very high90.1Very high18 Ų1857 Ų5713%0.12629%0.293CS..THydrogen-bonded Turntrans-943.3175.178.20000113.8N520 I521 V522 H526 P542N520-S524 PolarHBondContact O-N 3.46Å; I521-S524 PolarHBondContact O-N 3.06Å; I521-S524 VanDerWaalsContact O-N 3.08Å; I521-S524 PolarHBondContact O-OG 3.39Å; V522-S524 PolarHBondContact O-N 3.33Å; S524-H526 PolarHBondContact O-CE1 2.98Å; S524-H526 PolarHBondContact O-N 2.96Å; S524-H526 PolarHBondContact O-ND1 2.84Å; S524-P542 VanDerWaalsContact OG-CD 3.3Å; S524-P542 WeakPolarHBondContact OG-CD 3.38Å
525V92Very high90Very high16 Ų1655.4 Ų55.410%0.09729%0.292CS..  trans-65.1126.2172.5173.80000110.5F510 L513 V522 L528 F539 D540 L541F510-V525 HydrophobicContact CE1-CB 3.94Å; F510-V525 HydrophobicContact CE1-CG1 4.07Å; F510-V525 HydrophobicContact CZ-CG1 4.31Å; L513-V525 HydrophobicContact CD1-CG2 3.88Å; V522-V525 WeakPolarHBondContact O-CB 3.38Å; V522-V525 WeakPolarHBondContact O-CG2 3.36Å; V522-V525 PolarHBondContact O-N 3.28Å; V525-L528 HydrophobicContact CG1-CB 4.42Å; V525-F539 HydrophobicContact CG1-CB 3.72Å; V525-F539 HydrophobicContact CG1-CD2 3.84Å; V525-F539 HydrophobicContact CG1-CG 3.85Å; V525-F539 HydrophobicContact CG2-CD2 4.16Å; V525-F539 HydrophobicContact CG2-CE2 4.32Å; V525-D540 WeakPolarHBondContact CA-O 3.39Å; V525-L541 HydrophobicContact CB-CD2 4.39Å; V525-L541 HydrophobicContact CG2-CD2 3.6Å; V525-L541 HydrophobicContact CG2-CG 4.44Å
526H88.3Confident90.2Very high91 Ų9149.7 Ų49.742%0.42126%0.261SS..EExtended strand (participates in β ladder)trans-124.2159.3177-71.270.5000111.3S524 L528 D540S524-H526 PolarHBondContact O-CE1 2.98Å; S524-H526 PolarHBondContact O-N 2.96Å; S524-H526 PolarHBondContact O-ND1 2.84Å; H526-L528 PolarHBondContact O-N 3.18Å; H526-L528 VanDerWaalsContact O-N 3.14Å; H526-D540 HydrophobicContact CB-CB 4.42Å; H526-D540 PolarHBondContact N-O 3.04Å; H526-D540 PolarHBondContact O-N 3.41Å
527S86.9Confident90.5Very high52 Ų5247 Ų4736%0.36425%0.249SC..EExtended strand (participates in β ladder)trans57.431.6170.7-48.90000114.6T487 S529T487-S527 WeakPolarHBondContact CG2-OG 3.42Å; S527-S529 PolarHBondContact O-N 2.61Å; S527-S529 VanDerWaalsContact O-N 3.15Å; S527-S529 PolarHBondContact O-OG 2.85Å; S527-S529 VanDerWaalsContact O-OG 3.05Å
528L91.6Very high90.6Very high16 Ų1646.7 Ų46.78%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-61.4116.3179.5-177.775.5000110.8K506 A509 F510 V525 H526 Y537 V538 F539K506-L528 HydrophobicContact CB-CD2 3.82Å; K506-L528 HydrophobicContact CD-CD2 4.26Å; K506-L528 WeakPolarHBondContact CE-O 3.17Å; K506-L528 HydrophobicContact CG-CD2 4.17Å; K506-L528 PolarHBondContact NZ-O 3Å; A509-L528 HydrophobicContact CB-CD1 3.9Å; A509-L528 HydrophobicContact CB-CD2 3.78Å; A509-L528 HydrophobicContact CB-CG 4.47Å; F510-L528 HydrophobicContact CD2-CD2 4.1Å; F510-L528 HydrophobicContact CE2-CD2 3.49Å; F510-L528 VanDerWaalsContact CE2-CD2 3.49Å; F510-L528 HydrophobicContact CZ-CD2 4.04Å; V525-L528 HydrophobicContact CG1-CB 4.42Å; H526-L528 PolarHBondContact O-N 3.18Å; H526-L528 VanDerWaalsContact O-N 3.14Å; L528-Y537 HydrophobicContact CD1-CD1 4.11Å; L528-Y537 HydrophobicContact CD1-CG 4.05Å; L528-Y537 HydrophobicContact CG-CD1 4.37Å; L528-V538 WeakPolarHBondContact CA-O 3.39Å; L528-F539 HydrophobicContact CB-CB 4.28Å; L528-F539 HydrophobicContact CD1-CB 3.8Å; L528-F539 HydrophobicContact CD1-CD1 3.71Å; L528-F539 HydrophobicContact CD1-CG 4.1Å
529S90.3Very high90.8Very high25 Ų2544.2 Ų44.218%0.17523%0.231CC..EExtended strand (participates in β ladder)trans-129.1148.9-177.3-51.30000110.4S527 Y537 V538S527-S529 PolarHBondContact O-N 2.61Å; S527-S529 VanDerWaalsContact O-N 3.15Å; S527-S529 PolarHBondContact O-OG 2.85Å; S527-S529 VanDerWaalsContact O-OG 3.05Å; S529-Y537 VanDerWaalsContact O-CA 3.28Å; S529-Y537 WeakPolarHBondContact O-CA 3.42Å; S529-V538 PolarHBondContact N-O 3.06Å; S529-V538 PolarHBondContact O-N 2.96Å
530F91.9Very high90.9Very high21 Ų2139.2 Ų39.29%0.09221%0.208CC..EExtended strand (participates in β ladder)trans-77.3141.7175.1-82.9-75.8000111.3A503 K506 K534 Y537 L570 E571A503-F530 HydrophobicContact CB-CE1 3.8Å; K506-F530 HydrophobicContact CG-CD2 4.14Å; K506-F530 HydrophobicContact CG-CE2 3.53Å; K506-F530 HydrophobicContact CG-CZ 4.09Å; F530-K534 HydrophobicContact CD1-CB 4.17Å; F530-K534 HydrophobicContact CD1-CG 4Å; F530-K534 HydrophobicContact CE1-CB 4.32Å; F530-K534 HydrophobicContact CE1-CG 4.22Å; F530-K534 HydrophobicContact CG-CG 4.43Å; F530-Y537 AromaticContact CD1-CD1 3.83Å; F530-Y537 HydrophobicContact CD1-CD1 3.83Å; F530-Y537 AromaticContact CD1-CE1 3.55Å; F530-Y537 HydrophobicContact CD1-CE1 3.55Å; F530-Y537 AromaticContact CE1-CD1 3.92Å; F530-Y537 HydrophobicContact CE1-CD1 3.92Å; F530-Y537 AromaticContact CE1-CE1 3.15Å; F530-Y537 HydrophobicContact CE1-CE1 3.15Å; F530-Y537 AromaticContact CE1-CZ 3.79Å; F530-Y537 HydrophobicContact CE2-CE1 4.42Å; F530-Y537 HydrophobicContact CG-CD1 4.39Å; F530-Y537 HydrophobicContact CG-CE1 4.36Å; F530-Y537 AromaticContact CZ-CE1 3.65Å; F530-Y537 HydrophobicContact CZ-CE1 3.65Å; F530-L570 WeakPolarHBondContact O-CA 3.25Å; F530-E571 HydrophobicContact CB-CB 3.74Å; F530-E571 VanDerWaalsContact CB-OE2 3.28Å; F530-E571 WeakPolarHBondContact CB-OE2 3.31Å; F530-E571 PolarHBondContact O-N 3.42Å
531I90.9Very high91Very high19 Ų1934.4 Ų34.410%0.09718%0.182CC..BIsolated β-bridgetrans-75.1140.8162.7-59.6171.7000107.7K496 G533 K534 G536 V538 P568K496-I531 HydrophobicContact CD-CD1 4.37Å; K496-I531 HydrophobicContact CG-CD1 3.86Å; I531-G533 PolarHBondContact O-N 3.12Å; I531-K534 WeakPolarHBondContact O-CA 3.43Å; I531-K534 PolarHBondContact O-N 3.48Å; I531-G536 PolarHBondContact N-O 3.08Å; I531-V538 HydrophobicContact CD1-CG1 4.34Å; I531-V538 HydrophobicContact CG1-CG1 4.1Å; I531-P568 HydrophobicContact CD1-CG 4.4Å; I531-P568 HydrophobicContact CG1-CG 4.02Å; I531-P568 HydrophobicContact CG2-CB 4.17Å; I531-P568 HydrophobicContact CG2-CG 4.44Å
532R86.6Confident90.8Very high160 Ų16035 Ų3560%0.60419%0.186SC*.THydrogen-bonded Turntrans-48130.9177.2-170.5180-174.4-179.84.1111K534 E569R532-K534 VanDerWaalsContact C-N 3.34Å; R532-E569 HydrophobicContact CB-CB 3.96Å; R532-E569 WeakPolarHBondContact CB-O 3.39Å; R532-E569 WeakPolarHBondContact CD-OE2 3.45Å; R532-E569 IonicContact CZ-OE2 3.46Å; R532-E569 PolarHBondContact N-O 3.31Å; R532-E569 IonicContact NE-OE2 2.82Å; R532-E569 IonicContact NH1-OE1 3.39Å; R532-E569 IonicContact NH1-OE2 2.69Å; R532-E569 PolarHBondContact NH1-OE2 2.82Å
533G87.3Confident90.5Very high49 Ų4936.1 Ų36.151%0.50519%0.194SC..THydrogen-bonded Turntrans82.86-17400000114.8I531 M535I531-G533 PolarHBondContact O-N 3.12Å; G533-M535 PolarHBondContact O-N 3.19Å
534K87.9Confident90.1Very high71 Ų7139 Ų3931%0.30921%0.205SC..SBendtrans57.128.2177.8-59.3-178.9-173.4-176.20114.4I502 A503 F530 I531 R532 G536 E571I502-K534 HydrophobicContact CG2-CB 3.96Å; A503-K534 WeakPolarHBondContact CB-O 3.31Å; A503-K534 PolarHBondContact N-O 3.02Å; A503-K534 WeakPolarHBondContact O-CB 3.37Å; A503-K534 WeakPolarHBondContact O-CD 3.42Å; F530-K534 HydrophobicContact CD1-CB 4.17Å; F530-K534 HydrophobicContact CD1-CG 4Å; F530-K534 HydrophobicContact CE1-CB 4.32Å; F530-K534 HydrophobicContact CE1-CG 4.22Å; F530-K534 HydrophobicContact CG-CG 4.43Å; I531-K534 WeakPolarHBondContact O-CA 3.43Å; I531-K534 PolarHBondContact O-N 3.48Å; R532-K534 VanDerWaalsContact C-N 3.34Å; K534-G536 PolarHBondContact O-N 2.86Å; K534-E571 VanDerWaalsContact CE-CD 3.41Å; K534-E571 WeakPolarHBondContact CE-OE1 3.12Å; K534-E571 WeakPolarHBondContact CE-OE2 3.41Å; K534-E571 WeakPolarHBondContact CG-OE2 3.49Å; K534-E571 IonicContact NZ-OE1 2.97Å
535M90.7Very high90Very high81 Ų8139.4 Ų39.440%0.39921%0.205SC..SBendtrans-83.720.3178.3-65.5-62-64.800113.2L499 I502 G533L499-M535 PolarHBondContact N-O 3.41Å; I502-M535 HydrophobicContact CG1-SD 3.8Å; G533-M535 PolarHBondContact O-N 3.19Å
536G92.4Very high89.7Confident0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans147.1-168-177.900000113.1L497 I531 K534L497-G536 CarbonylContact O-C 3.58Å; L497-G536 WeakPolarHBondContact O-CA 3.45Å; I531-G536 PolarHBondContact N-O 3.08Å; K534-G536 PolarHBondContact O-N 2.86Å
537Y94.2Very high89.5Confident0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-137.9155.5-174.1-48.6-89.5000111.8L497 L499 A503 S505 A509 L528 S529 F530L497-Y537 HydrophobicContact CD2-CD2 4.06Å; L497-Y537 PolarHBondContact N-O 3.45Å; L497-Y537 PolarHBondContact O-N 3.37Å; L499-Y537 HydrophobicContact CD1-CD2 4.37Å; L499-Y537 HydrophobicContact CD1-CE2 3.67Å; A503-Y537 HydrophobicContact CB-CE1 4.4Å; A503-Y537 HydrophobicContact CB-CE2 4.13Å; A503-Y537 WeakPolarHBondContact CB-OH 3.31Å; S505-Y537 PolarHBondContact O-OH 2.92Å; A509-Y537 HydrophobicContact CB-CD1 3.97Å; A509-Y537 HydrophobicContact CB-CD2 3.61Å; A509-Y537 HydrophobicContact CB-CE1 3.91Å; A509-Y537 HydrophobicContact CB-CE2 3.56Å; A509-Y537 HydrophobicContact CB-CG 3.8Å; L528-Y537 HydrophobicContact CD1-CD1 4.11Å; L528-Y537 HydrophobicContact CD1-CG 4.05Å; L528-Y537 HydrophobicContact CG-CD1 4.37Å; S529-Y537 VanDerWaalsContact O-CA 3.28Å; S529-Y537 WeakPolarHBondContact O-CA 3.42Å; F530-Y537 AromaticContact CD1-CD1 3.83Å; F530-Y537 HydrophobicContact CD1-CD1 3.83Å; F530-Y537 AromaticContact CD1-CE1 3.55Å; F530-Y537 HydrophobicContact CD1-CE1 3.55Å; F530-Y537 AromaticContact CE1-CD1 3.92Å; F530-Y537 HydrophobicContact CE1-CD1 3.92Å; F530-Y537 AromaticContact CE1-CE1 3.15Å; F530-Y537 HydrophobicContact CE1-CE1 3.15Å; F530-Y537 AromaticContact CE1-CZ 3.79Å; F530-Y537 HydrophobicContact CE2-CE1 4.42Å; F530-Y537 HydrophobicContact CG-CD1 4.39Å; F530-Y537 HydrophobicContact CG-CE1 4.36Å; F530-Y537 AromaticContact CZ-CE1 3.65Å; F530-Y537 HydrophobicContact CZ-CE1 3.65Å
538V93.2Very high89.5Confident0 Ų045.5 Ų45.50%023%0.226CC..EExtended strand (participates in β ladder)trans-119.2144.8161.7-63.50000109.4L486 Y495 K496 L528 S529 I531 L564 P568 L570L486-V538 HydrophobicContact CD1-CB 4.41Å; L486-V538 HydrophobicContact CD1-CG2 3.71Å; L486-V538 HydrophobicContact CD2-CB 4.28Å; L486-V538 HydrophobicContact CD2-CG2 3.95Å; L486-V538 HydrophobicContact CG-CG2 4.5Å; Y495-V538 VanDerWaalsContact O-CA 3.28Å; Y495-V538 WeakPolarHBondContact O-CA 3.41Å; K496-V538 HydrophobicContact CG-CG1 4.25Å; L528-V538 WeakPolarHBondContact CA-O 3.39Å; S529-V538 PolarHBondContact N-O 3.06Å; S529-V538 PolarHBondContact O-N 2.96Å; I531-V538 HydrophobicContact CD1-CG1 4.34Å; I531-V538 HydrophobicContact CG1-CG1 4.1Å; V538-L564 HydrophobicContact CG1-CD1 3.82Å; V538-L564 HydrophobicContact CG1-CD2 4.35Å; V538-P568 HydrophobicContact CG1-CG 3.77Å; V538-L570 HydrophobicContact CG1-CD2 4.49Å; V538-L570 HydrophobicContact CG2-CD1 4.43Å; V538-L570 HydrophobicContact CG2-CD2 3.44Å; V538-L570 VanDerWaalsContact CG2-CD2 3.44Å
539F93.6Very high89.3Confident0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-159.4166.2178.656.3-91.5000111.3A494 Y495 L497 L513 V525 L528 L541 L561A494-F539 WeakPolarHBondContact CA-O 3.4Å; Y495-F539 HydrophobicContact CG-CE2 4.44Å; Y495-F539 PolarHBondContact N-O 3.1Å; Y495-F539 PolarHBondContact O-N 3.42Å; Y495-F539 VanDerWaalsContact O-N 3.11Å; L497-F539 HydrophobicContact CB-CE1 3.91Å; L513-F539 HydrophobicContact CD1-CE1 4.14Å; L513-F539 HydrophobicContact CD1-CE2 4.32Å; L513-F539 HydrophobicContact CD1-CZ 3.91Å; L513-F539 HydrophobicContact CD2-CE1 4.29Å; L513-F539 HydrophobicContact CD2-CE2 4.49Å; L513-F539 HydrophobicContact CD2-CZ 3.7Å; L513-F539 HydrophobicContact CG-CZ 4.44Å; V525-F539 HydrophobicContact CG1-CB 3.72Å; V525-F539 HydrophobicContact CG1-CD2 3.84Å; V525-F539 HydrophobicContact CG1-CG 3.85Å; V525-F539 HydrophobicContact CG2-CD2 4.16Å; V525-F539 HydrophobicContact CG2-CE2 4.32Å; L528-F539 HydrophobicContact CB-CB 4.28Å; L528-F539 HydrophobicContact CD1-CB 3.8Å; L528-F539 HydrophobicContact CD1-CD1 3.71Å; L528-F539 HydrophobicContact CD1-CG 4.1Å; F539-L541 HydrophobicContact CD2-CG 4.09Å; F539-L541 HydrophobicContact CE2-CD1 3.83Å; F539-L541 HydrophobicContact CE2-CG 3.87Å; F539-L561 HydrophobicContact CE1-CD1 4.27Å; F539-L561 HydrophobicContact CZ-CD1 3.77Å
540D93Very high89.1Confident0 Ų050.4 Ų50.40%024%0.244CC..EExtended strand (participates in β ladder)trans-103.7140.3175.2-73.6-31.4000112.1S484 T487 K492 T493 A494 V525 H526S484-D540 VanDerWaalsContact CB-OD1 3.23Å; S484-D540 WeakPolarHBondContact CB-OD1 3.48Å; S484-D540 PolarHBondContact OG-OD1 3.34Å; S484-D540 PolarHBondContact OG-OD2 3.19Å; S484-D540 VanDerWaalsContact OG-OD2 3.12Å; T487-D540 WeakPolarHBondContact CB-OD2 3.47Å; T487-D540 WeakPolarHBondContact CG2-OD2 3.26Å; T487-D540 PolarHBondContact OG1-OD2 2.82Å; K492-D540 HydrophobicContact CB-CB 4.32Å; T493-D540 WeakPolarHBondContact O-CA 3.22Å; A494-D540 WeakPolarHBondContact CA-OD1 3.25Å; A494-D540 WeakPolarHBondContact CB-OD1 3.23Å; V525-D540 WeakPolarHBondContact CA-O 3.39Å; H526-D540 HydrophobicContact CB-CB 4.42Å; H526-D540 PolarHBondContact N-O 3.04Å; H526-D540 PolarHBondContact O-N 3.41Å
541L91.8Very high88.8Confident1 Ų153.8 Ų53.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-121.8152.1166-75.7174.1000110.3K492 T493 Y495 I521 V525 F539 S543 V549K492-L541 CarbonylContact C-O 3.6Å; K492-L541 VanDerWaalsContact CA-O 3.31Å; K492-L541 WeakPolarHBondContact CA-O 3.08Å; T493-L541 PolarHBondContact N-O 3.35Å; T493-L541 PolarHBondContact O-N 3.21Å; Y495-L541 HydrophobicContact CD2-CB 4.22Å; Y495-L541 HydrophobicContact CD2-CD1 4.04Å; Y495-L541 HydrophobicContact CD2-CG 4.38Å; Y495-L541 HydrophobicContact CE2-CB 4.2Å; Y495-L541 HydrophobicContact CE2-CD1 4.12Å; I521-L541 HydrophobicContact CG2-CD1 4.13Å; I521-L541 HydrophobicContact CG2-CD2 3.96Å; I521-L541 WeakPolarHBondContact O-CD2 3.5Å; V525-L541 HydrophobicContact CB-CD2 4.39Å; V525-L541 HydrophobicContact CG2-CD2 3.6Å; V525-L541 HydrophobicContact CG2-CG 4.44Å; F539-L541 HydrophobicContact CD2-CG 4.09Å; F539-L541 HydrophobicContact CE2-CD1 3.83Å; F539-L541 HydrophobicContact CE2-CG 3.87Å; L541-S543 PolarHBondContact O-N 2.91Å; L541-V549 HydrophobicContact CD1-CG2 4.04Å
542P88.6Confident88.6Confident18 Ų1855.5 Ų55.512%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-51.5128.6163.9-23.332.5000111.8S524 E544 H545S524-P542 VanDerWaalsContact OG-CD 3.3Å; S524-P542 WeakPolarHBondContact OG-CD 3.38Å; P542-E544 HydrophobicContact CB-CG 3.73Å; P542-E544 PolarHBondContact O-N 2.91Å; P542-E544 VanDerWaalsContact O-N 3.09Å; P542-H545 PolarHBondContact O-N 3.04Å
543S84.7Confident88.6Confident24 Ų2449.4 Ų49.417%0.16826%0.258CS..G310 helixtrans-62.5-19.1-177.1-62.40000113.7S482 G491 K492 T493 L541 H545 D546S482-S543 WeakPolarHBondContact OG-CB 3.48Å; S482-S543 PolarHBondContact OG-OG 2.85Å; G491-S543 VanDerWaalsContact C-OG 3.28Å; G491-S543 PolarHBondContact O-N 3.14Å; G491-S543 PolarHBondContact O-OG 2.97Å; K492-S543 VanDerWaalsContact C-OG 3.27Å; K492-S543 PolarHBondContact N-OG 2.84Å; T493-S543 PolarHBondContact N-OG 2.63Å; T493-S543 WeakPolarHBondContact OG1-CB 3.38Å; T493-S543 PolarHBondContact OG1-OG 2.88Å; L541-S543 PolarHBondContact O-N 2.91Å; S543-H545 PolarHBondContact O-N 3.1Å; S543-D546 WeakPolarHBondContact O-CB 3.46Å; S543-D546 VanDerWaalsContact O-CG 3.25Å; S543-D546 PolarHBondContact O-N 2.98Å; S543-D546 VanDerWaalsContact O-N 3.16Å
544E85.4Confident88.4Confident157 Ų15749.5 Ų49.573%0.73425%0.25SS*.G310 helixtrans-61.9-20172.260.2179.2-161.900113.4P542P542-E544 HydrophobicContact CB-CG 3.73Å; P542-E544 PolarHBondContact O-N 2.91Å; P542-E544 VanDerWaalsContact O-N 3.09Å
545H88Confident87.9Confident27 Ų2754.7 Ų54.713%0.12528%0.282CS..G310 helixtrans-90.3-5.8177.6-58.8-31.6000113.3I521 P542 S543 E547 F548 V549I521-H545 HydrophobicContact CD1-CB 4.27Å; I521-H545 HydrophobicContact CG2-CB 4.4Å; P542-H545 PolarHBondContact O-N 3.04Å; S543-H545 PolarHBondContact O-N 3.1Å; H545-E547 VanDerWaalsContact C-N 3.29Å; H545-E547 PolarHBondContact O-N 3.11Å; H545-F548 PolarHBondContact O-N 3.21Å; H545-F548 VanDerWaalsContact O-N 3.1Å; H545-V549 HydrophobicContact CB-CG2 4.4Å; H545-V549 WeakPolarHBondContact O-CG2 3.38Å; H545-V549 PolarHBondContact O-N 2.97Å
546D86.6Confident87.1Confident29 Ų2953.2 Ų53.216%0.15528%0.275CS..Hα-helixtrans-59-39.3-170.3-74.71.1000113.1T493 Y495 S543 K550T493-D546 WeakPolarHBondContact CB-OD1 3.4Å; T493-D546 VanDerWaalsContact OG1-CG 3.25Å; T493-D546 PolarHBondContact OG1-OD1 3.02Å; T493-D546 PolarHBondContact OG1-OD2 3.26Å; Y495-D546 WeakPolarHBondContact OH-CA 3.2Å; Y495-D546 PolarHBondContact OH-OD1 2.83Å; Y495-D546 VanDerWaalsContact OH-OD1 3.13Å; S543-D546 WeakPolarHBondContact O-CB 3.46Å; S543-D546 VanDerWaalsContact O-CG 3.25Å; S543-D546 PolarHBondContact O-N 2.98Å; S543-D546 VanDerWaalsContact O-N 3.16Å; D546-K550 WeakPolarHBondContact O-CB 3.4Å; D546-K550 VanDerWaalsContact O-CG 3.29Å; D546-K550 WeakPolarHBondContact O-CG 3.29Å; D546-K550 PolarHBondContact O-N 3.22Å
547E83.9Confident86.3Confident166 Ų16657.6 Ų57.678%0.77631%0.311SS*.Hα-helixtrans-69.2-39.7179.8-167.1164.8-155.300111.5H545 S551H545-E547 VanDerWaalsContact C-N 3.29Å; H545-E547 PolarHBondContact O-N 3.11Å; E547-S551 WeakPolarHBondContact O-CB 3.49Å; E547-S551 PolarHBondContact O-N 3.26Å; E547-S551 VanDerWaalsContact O-N 3.07Å; E547-S551 PolarHBondContact O-OG 3.14Å
548F86.6Confident85.6Confident92 Ų9263.1 Ų63.140%0.40434%0.337SS..Hα-helixtrans-68.4-42.9176.7-172-86.3000111.9L517 P518 I521 H545 K550 S551 T552L517-F548 HydrophobicContact CD2-CD1 4.31Å; L517-F548 HydrophobicContact CD2-CE1 4.27Å; P518-F548 HydrophobicContact CG-CE1 3.97Å; P518-F548 HydrophobicContact CG-CZ 4.21Å; I521-F548 HydrophobicContact CD1-CD1 3.39Å; I521-F548 HydrophobicContact CD1-CE1 3.84Å; I521-F548 HydrophobicContact CD1-CG 4.09Å; H545-F548 PolarHBondContact O-N 3.21Å; H545-F548 VanDerWaalsContact O-N 3.1Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.46Å; F548-S551 PolarHBondContact O-N 2.99Å; F548-S551 PolarHBondContact O-OG 3.14Å; F548-T552 HydrophobicContact CE1-CG2 4.17Å; F548-T552 WeakPolarHBondContact CE1-OG1 3.39Å; F548-T552 HydrophobicContact CZ-CG2 4.42Å; F548-T552 VanDerWaalsContact O-CB 3.25Å; F548-T552 WeakPolarHBondContact O-CB 3.34Å; F548-T552 PolarHBondContact O-N 2.96Å; F548-T552 PolarHBondContact O-OG1 2.86Å
549V88Confident85.3Confident3 Ų363.2 Ų63.22%0.01834%0.338CS..Hα-helixtrans-62.6-43.8177.1173.90000110.4Y495 L517 I521 L541 H545 S551 W553 L561Y495-V549 HydrophobicContact CD1-CG1 4.44Å; Y495-V549 HydrophobicContact CE1-CG1 3.7Å; L517-V549 HydrophobicContact CD1-CG2 4.35Å; L517-V549 HydrophobicContact CD2-CG2 4.18Å; I521-V549 HydrophobicContact CG2-CG2 4.5Å; L541-V549 HydrophobicContact CD1-CG2 4.04Å; H545-V549 HydrophobicContact CB-CG2 4.4Å; H545-V549 WeakPolarHBondContact O-CG2 3.38Å; H545-V549 PolarHBondContact O-N 2.97Å; V549-S551 VanDerWaalsContact C-N 3.34Å; V549-S551 PolarHBondContact O-N 2.93Å; V549-W553 VanDerWaalsContact O-CB 3.31Å; V549-W553 WeakPolarHBondContact O-CB 3.36Å; V549-W553 PolarHBondContact O-N 2.84Å; V549-L561 HydrophobicContact CG1-CD2 3.47Å; V549-L561 VanDerWaalsContact CG1-CD2 3.47Å
550K86.1Confident85.1Confident140 Ų14069.2 Ų69.261%0.60936%0.364SS*.Hα-helixtrans-64-35.4177.1-78.5176-175.9172.70113.5D546 F548D546-K550 WeakPolarHBondContact O-CB 3.4Å; D546-K550 VanDerWaalsContact O-CG 3.29Å; D546-K550 WeakPolarHBondContact O-CG 3.29Å; D546-K550 PolarHBondContact O-N 3.22Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.46Å
551S85.6Confident85Confident93 Ų9370.3 Ų70.365%0.6537%0.37SS*.Hα-helixtrans-82.6-27.9-178.5640000113.5E547 F548 V549E547-S551 WeakPolarHBondContact O-CB 3.49Å; E547-S551 PolarHBondContact O-N 3.26Å; E547-S551 VanDerWaalsContact O-N 3.07Å; E547-S551 PolarHBondContact O-OG 3.14Å; F548-S551 PolarHBondContact O-N 2.99Å; F548-S551 PolarHBondContact O-OG 3.14Å; V549-S551 VanDerWaalsContact C-N 3.34Å; V549-S551 PolarHBondContact O-N 2.93Å
552T86.9Confident84.9Confident55 Ų5572 Ų7234%0.33738%0.382SS..Hα-helixtrans-98.8-30.4-171.5-49.10000113.1H516 F548 P554H516-T552 VanDerWaalsContact O-CG2 3.26Å; H516-T552 WeakPolarHBondContact O-CG2 3.49Å; F548-T552 HydrophobicContact CE1-CG2 4.17Å; F548-T552 WeakPolarHBondContact CE1-OG1 3.39Å; F548-T552 HydrophobicContact CZ-CG2 4.42Å; F548-T552 VanDerWaalsContact O-CB 3.25Å; F548-T552 WeakPolarHBondContact O-CB 3.34Å; F548-T552 PolarHBondContact O-N 2.96Å; F548-T552 PolarHBondContact O-OG1 2.86Å; T552-P554 WeakPolarHBondContact O-CD 3.47Å
553W86.8Confident84.9Confident31 Ų3174.8 Ų74.812%0.11740%0.396CS..  trans-67.5121.2-175.2-162.1-90.2000111.4L497 T512 L513 H516 L517 V549 A559 L561L497-W553 HydrophobicContact CD1-CH2 4.18Å; L497-W553 HydrophobicContact CD1-CZ2 3.73Å; T512-W553 HydrophobicContact CG2-CH2 4.41Å; L513-W553 HydrophobicContact CD2-CH2 3.8Å; L513-W553 HydrophobicContact CD2-CZ3 3.74Å; H516-W553 HydrophobicContact CB-CE3 3.88Å; H516-W553 HydrophobicContact CB-CH2 4.5Å; H516-W553 HydrophobicContact CB-CZ3 3.83Å; H516-W553 AromaticContact CD2-CH2 3.92Å; L517-W553 HydrophobicContact CD1-CE3 4.13Å; L517-W553 HydrophobicContact CD1-CZ3 3.95Å; L517-W553 HydrophobicContact CD2-CE3 4.44Å; L517-W553 HydrophobicContact CG-CE3 4.07Å; L517-W553 HydrophobicContact CG-CZ3 4.03Å; V549-W553 VanDerWaalsContact O-CB 3.31Å; V549-W553 WeakPolarHBondContact O-CB 3.36Å; V549-W553 PolarHBondContact O-N 2.84Å; W553-A559 HydrophobicContact CZ2-CB 4.44Å; W553-A559 PolarHBondContact NE1-O 3.36Å; W553-A559 VanDerWaalsContact NE1-O 3.16Å; W553-L561 HydrophobicContact CB-CD2 4.43Å; W553-L561 HydrophobicContact CD2-CB 3.59Å; W553-L561 HydrophobicContact CD2-CD2 3.51Å; W553-L561 HydrophobicContact CD2-CG 4.2Å; W553-L561 HydrophobicContact CE3-CB 4.35Å; W553-L561 HydrophobicContact CE3-CD2 3.49Å; W553-L561 VanDerWaalsContact CE3-CD2 3.49Å; W553-L561 HydrophobicContact CG-CB 3.75Å; W553-L561 HydrophobicContact CG-CD2 3.93Å; W553-L561 HydrophobicContact CG-CG 4.48Å; W553-L561 HydrophobicContact CH2-CD2 4.44Å; W553-L561 HydrophobicContact CZ2-CB 3.86Å; W553-L561 HydrophobicContact CZ2-CD2 4.48Å; W553-L561 HydrophobicContact CZ3-CD2 3.98Å; W553-L561 VanDerWaalsContact NE1-CB 3.33Å
554P81.4Confident84.9Confident51 Ų5174.3 Ų74.333%0.33139%0.391SS..  trans-72.9158.2179.829.2-32.8000111.5T552 D556T552-P554 WeakPolarHBondContact O-CD 3.47Å; P554-D556 HydrophobicContact CG-CB 4.42Å; P554-D556 PolarHBondContact O-N 3.23Å
555N77.3Confident84.5Confident181 Ų18172.3 Ų72.397%0.96839%0.394SS*.  trans-71.774165.2-80.4-23.1000109.6
556D75.6Confident84Confident50 Ų5079.3 Ų79.327%0.26742%0.424SS..  trans-86.8124.6177.5-172.4-7.9000110.3P554 Q558P554-D556 HydrophobicContact CG-CB 4.42Å; P554-D556 PolarHBondContact O-N 3.23Å; D556-Q558 VanDerWaalsContact C-N 3.28Å; D556-Q558 WeakPolarHBondContact OD1-CB 3.11Å; D556-Q558 PolarHBondContact OD1-N 3.32Å
557A74.6Confident83.9Confident91 Ų9182.8 Ų82.875%0.75244%0.442SS*.SBendtrans-72.1-22.317700000112.8
558Q80.9Confident83.9Confident116 Ų11676 Ų7654%0.54241%0.413SS..SBendtrans-84.9-34.3178.5-60.8-171.7400112.6L499 N500 D556L499-Q558 WeakPolarHBondContact CA-O 3.45Å; N500-Q558 PolarHBondContact N-O 2.83Å; N500-Q558 VanDerWaalsContact N-O 3.14Å; N500-Q558 PolarHBondContact OD1-O 3.11Å; D556-Q558 VanDerWaalsContact C-N 3.28Å; D556-Q558 WeakPolarHBondContact OD1-CB 3.11Å; D556-Q558 PolarHBondContact OD1-N 3.32Å
559A86.5Confident83.7Confident3 Ų377.6 Ų77.63%0.02542%0.421CS..EExtended strand (participates in β ladder)trans-138.293-173.800000111.6L497 E498 L499 T512 W553L497-A559 HydrophobicContact CD1-CB 4.15Å; E498-A559 CarbonylContact O-C 3.57Å; E498-A559 WeakPolarHBondContact O-CA 3.33Å; L499-A559 HydrophobicContact CD2-CB 3.86Å; T512-A559 HydrophobicContact CG2-CB 3.61Å; W553-A559 HydrophobicContact CZ2-CB 4.44Å; W553-A559 PolarHBondContact NE1-O 3.36Å; W553-A559 VanDerWaalsContact NE1-O 3.16Å
560K88.7Confident83.6Confident125 Ų12580.4 Ų80.454%0.54344%0.435SS..EExtended strand (participates in β ladder)trans-91.4116.5-179.1-174.9-179.2179.2-174.10110.6L497 E498L497-K560 WeakPolarHBondContact CA-O 3.02Å; E498-K560 HydrophobicContact CB-CB 4.37Å; E498-K560 PolarHBondContact N-O 3.15Å; E498-K560 PolarHBondContact O-N 3.4Å
561L91.2Very high83.5Confident23 Ų2376.9 Ų76.912%0.1242%0.421CS..EExtended strand (participates in β ladder)trans-96.6130.3173.3-170.568000110.4Y495 K496 L497 F539 V549 W553Y495-L561 HydrophobicContact CD1-CD1 4.07Å; Y495-L561 HydrophobicContact CD1-CD2 4.26Å; Y495-L561 HydrophobicContact CD1-CG 3.96Å; Y495-L561 HydrophobicContact CG-CD1 4.38Å; K496-L561 WeakPolarHBondContact O-CA 3.38Å; L497-L561 HydrophobicContact CB-CD1 4.08Å; L497-L561 HydrophobicContact CD1-CB 4.34Å; L497-L561 HydrophobicContact CD1-CD1 4.24Å; F539-L561 HydrophobicContact CE1-CD1 4.27Å; F539-L561 HydrophobicContact CZ-CD1 3.77Å; V549-L561 HydrophobicContact CG1-CD2 3.47Å; V549-L561 VanDerWaalsContact CG1-CD2 3.47Å; W553-L561 HydrophobicContact CB-CD2 4.43Å; W553-L561 HydrophobicContact CD2-CB 3.59Å; W553-L561 HydrophobicContact CD2-CD2 3.51Å; W553-L561 HydrophobicContact CD2-CG 4.2Å; W553-L561 HydrophobicContact CE3-CB 4.35Å; W553-L561 HydrophobicContact CE3-CD2 3.49Å; W553-L561 VanDerWaalsContact CE3-CD2 3.49Å; W553-L561 HydrophobicContact CG-CB 3.75Å; W553-L561 HydrophobicContact CG-CD2 3.93Å; W553-L561 HydrophobicContact CG-CG 4.48Å; W553-L561 HydrophobicContact CH2-CD2 4.44Å; W553-L561 HydrophobicContact CZ2-CB 3.86Å; W553-L561 HydrophobicContact CZ2-CD2 4.48Å; W553-L561 HydrophobicContact CZ3-CD2 3.98Å; W553-L561 VanDerWaalsContact NE1-CB 3.33Å
562S89.9Confident83Confident38 Ų3881.1 Ų81.127%0.26643%0.431SS..EExtended strand (participates in β ladder)trans-143156.6178.4590000111.6Y495 K496Y495-S562 WeakPolarHBondContact CA-O 3.43Å; K496-S562 PolarHBondContact N-O 2.64Å; K496-S562 PolarHBondContact O-N 3.33Å
563L87.9Confident81.9Confident76 Ų7683.2 Ų83.240%0.39844%0.437SS..EExtended strand (participates in β ladder)trans-67.5132.8171.7-73.4170.4000109.9T493 Y495 S565T493-L563 HydrophobicContact CG2-CD2 3.25Å; Y495-L563 HydrophobicContact CD1-CD2 4.21Å; Y495-L563 HydrophobicContact CE1-CD2 3.64Å; Y495-L563 HydrophobicContact CE1-CG 4.24Å; Y495-L563 HydrophobicContact CE2-CD2 4.22Å; L563-S565 PolarHBondContact O-N 3.46Å; L563-S565 VanDerWaalsContact O-N 3.14Å
564L85.1Confident80.2Confident14 Ų1489.2 Ų89.27%0.07347%0.466CS..  trans-75103.9-179.1-168.773.7000110.1A485 L486 A494 K496 V538 K566A485-L564 HydrophobicContact CB-CD2 4.34Å; L486-L564 HydrophobicContact CB-CD2 4.24Å; A494-L564 HydrophobicContact CB-CB 3.73Å; A494-L564 HydrophobicContact CB-CD2 3.71Å; A494-L564 HydrophobicContact CB-CG 4.34Å; A494-L564 VanDerWaalsContact O-CB 3.27Å; A494-L564 WeakPolarHBondContact O-CB 3.47Å; A494-L564 PolarHBondContact O-N 3.31Å; K496-L564 HydrophobicContact CB-CD1 3.79Å; K496-L564 HydrophobicContact CD-CD1 4.38Å; K496-L564 HydrophobicContact CG-CD1 4.2Å; V538-L564 HydrophobicContact CG1-CD1 3.82Å; V538-L564 HydrophobicContact CG1-CD2 4.35Å; L564-K566 WeakPolarHBondContact CD1-O 3.44Å
565S76.9Confident78.3Confident115 Ų11596.2 Ų96.280%0.80449%0.492SS*.SBendtrans-91-29.6177.258.60000113.6L563L563-S565 PolarHBondContact O-N 3.46Å; L563-S565 VanDerWaalsContact O-N 3.14Å
566K78.5Confident76.5Confident173 Ų17394.8 Ų94.875%0.75248%0.477SS*.SBendtrans-137.3136.9175.2-68.4-176.1179.7-178.80108.8L564 P568L564-K566 WeakPolarHBondContact CD1-O 3.44Å; K566-P568 VanDerWaalsContact O-CD 3.29Å; K566-P568 WeakPolarHBondContact O-CD 3.43Å
567I82.9Confident74.6Confident102 Ų102100.4 Ų100.452%0.52351%0.507SS..PPolyproline II helixtrans-68.7118.4176.5-58.4173.2000108.3A485A485-I567 WeakPolarHBondContact O-CD1 3.38Å; A485-I567 WeakPolarHBondContact O-CG1 3.26Å
568P84.1Confident72.9Confident25 Ų25104 Ų10416%0.16251%0.508CS..PPolyproline II helixtrans-73.5163.6171.132.1-36.1000110.1I531 V538 K566 L570I531-P568 HydrophobicContact CD1-CG 4.4Å; I531-P568 HydrophobicContact CG1-CG 4.02Å; I531-P568 HydrophobicContact CG2-CB 4.17Å; I531-P568 HydrophobicContact CG2-CG 4.44Å; V538-P568 HydrophobicContact CG1-CG 3.77Å; K566-P568 VanDerWaalsContact O-CD 3.29Å; K566-P568 WeakPolarHBondContact O-CD 3.43Å; P568-L570 HydrophobicContact CG-CD2 4.19Å; P568-L570 PolarHBondContact O-N 3.21Å
569E84Confident70.6Confident125 Ų125101.9 Ų101.958%0.58452%0.518SS*.PPolyproline II helixtrans-60.2127168.5-66.7-177.9165.600109.7R532R532-E569 HydrophobicContact CB-CB 3.96Å; R532-E569 WeakPolarHBondContact CB-O 3.39Å; R532-E569 WeakPolarHBondContact CD-OE2 3.45Å; R532-E569 IonicContact CZ-OE2 3.46Å; R532-E569 PolarHBondContact N-O 3.31Å; R532-E569 IonicContact NE-OE2 2.82Å; R532-E569 IonicContact NH1-OE1 3.39Å; R532-E569 IonicContact NH1-OE2 2.69Å; R532-E569 PolarHBondContact NH1-OE2 2.82Å
570L85.8Confident67.9Low61 Ų61112.8 Ų112.832%0.31956%0.559SS.*BIsolated β-bridgetrans-96150.5-179.2-56.1-179.3000109.8L486 F530 V538 P568L486-L570 HydrophobicContact CD1-CD1 4.03Å; F530-L570 WeakPolarHBondContact O-CA 3.25Å; V538-L570 HydrophobicContact CG1-CD2 4.49Å; V538-L570 HydrophobicContact CG2-CD1 4.43Å; V538-L570 HydrophobicContact CG2-CD2 3.44Å; V538-L570 VanDerWaalsContact CG2-CD2 3.44Å; P568-L570 HydrophobicContact CG-CD2 4.19Å; P568-L570 PolarHBondContact O-N 3.21Å
571E83.1Confident65.3Low66 Ų66113 Ų11331%0.30858%0.576SS.*PPolyproline II helixtrans-71132.7172.1-160.8169.1-161.800109.6F530 K534 E573F530-E571 HydrophobicContact CB-CB 3.74Å; F530-E571 VanDerWaalsContact CB-OE2 3.28Å; F530-E571 WeakPolarHBondContact CB-OE2 3.31Å; F530-E571 PolarHBondContact O-N 3.42Å; K534-E571 VanDerWaalsContact CE-CD 3.41Å; K534-E571 WeakPolarHBondContact CE-OE1 3.12Å; K534-E571 WeakPolarHBondContact CE-OE2 3.41Å; K534-E571 WeakPolarHBondContact CG-OE2 3.49Å; K534-E571 IonicContact NZ-OE1 2.97Å; E571-E573 PolarHBondContact O-N 3.36Å
572E74.6Confident62.3Low183 Ų183114.6 Ų114.686%0.85560%0.598SS**PPolyproline II helixtrans-68.9119.2176-67.6-178.3-179.800109.2E574E572-E574 PolarHBondContact O-N 2.82Å
573E64.6Low59.5Low98 Ų98120.4 Ų120.446%0.45863%0.626SS.*  trans-77.4106.6175.5-71-175.9-167.100109.3K506 E571 F575K506-E573 VanDerWaalsContact CE-OE1 3.27Å; K506-E573 WeakPolarHBondContact CE-OE1 3.36Å; K506-E573 VanDerWaalsContact NZ-CD 3.33Å; K506-E573 IonicContact NZ-OE1 3.53Å; K506-E573 PolarHBondContact NZ-OE1 3.48Å; K506-E573 IonicContact NZ-OE2 3.88Å; K506-E573 PolarHBondContact NZ-OE2 3.38Å; E571-E573 PolarHBondContact O-N 3.36Å; E573-F575 WeakPolarHBondContact O-CD2 3.47Å; E573-F575 PolarHBondContact O-N 3.11Å
574E51.1Low56.9Low157 Ų157127.7 Ų127.773%0.73465%0.65SS**  trans-63106170.2-71.4-173.6165.500109.2E572 F576E572-E574 PolarHBondContact O-N 2.82Å; E574-F576 HydrophobicContact CB-CD2 4.15Å; E574-F576 HydrophobicContact CB-CE2 4.2Å; E574-F576 PolarHBondContact O-N 3.14Å; E574-F576 VanDerWaalsContact OE2-CE2 3.29Å; E574-F576 WeakPolarHBondContact OE2-CE2 3.37Å
575F40.5Very low54.3Low198 Ų198129.6 Ų129.687%0.86867%0.673SS**  trans-65.284.7171.3-76.2-91.8000109.5E573 N577E573-F575 WeakPolarHBondContact O-CD2 3.47Å; E573-F575 PolarHBondContact O-N 3.11Å; F575-N577 VanDerWaalsContact C-N 3.34Å; F575-N577 PolarHBondContact O-N 2.86Å
576F39.9Very low52.1Low151 Ų151128.6 Ų128.666%0.66267%0.666SS**  trans-67.696.3169.4-94.4-85.3000109E574 Q578E574-F576 HydrophobicContact CB-CD2 4.15Å; E574-F576 HydrophobicContact CB-CE2 4.2Å; E574-F576 PolarHBondContact O-N 3.14Å; E574-F576 VanDerWaalsContact OE2-CE2 3.29Å; E574-F576 WeakPolarHBondContact OE2-CE2 3.37Å; F576-Q578 HydrophobicContact CB-CG 4.38Å; F576-Q578 PolarHBondContact O-N 2.8Å
577N35.4Very low49.7Very low168 Ų168131.9 Ų131.990%0.89867%0.674SS**  trans-66.873172.6-152.210.3000109.2F575 G579F575-N577 VanDerWaalsContact C-N 3.34Å; F575-N577 PolarHBondContact O-N 2.86Å; N577-G579 PolarHBondContact O-N 3.16Å
578Q39Very low47.1Very low166 Ų166135.6 Ų135.678%0.77669%0.689SS**  trans-79.672.8-178.5-79.4-172.721.500111.3F576 R580F576-Q578 HydrophobicContact CB-CG 4.38Å; F576-Q578 PolarHBondContact O-N 2.8Å; Q578-R580 VanDerWaalsContact C-N 3.29Å; Q578-R580 PolarHBondContact O-N 3.07Å
579G32.6Very low44.8Very low73 Ų73139 Ų13975%0.75371%0.713SS**  trans-78.681.4146.400000108.9N577N577-G579 PolarHBondContact O-N 3.16Å
580R31.2Very low42.1Very low231 Ų231144.8 Ų144.887%0.87273%0.73SS**  trans-151.593162.7-112176.6-175.2-167.80.8110.8Q578 G582Q578-R580 VanDerWaalsContact C-N 3.29Å; Q578-R580 PolarHBondContact O-N 3.07Å; R580-G582 PolarHBondContact O-N 2.96Å
581S32.5Very low39.6Very low130 Ų130151.9 Ų151.991%0.90976%0.758SS**  trans-40.698.9154.6167.50000110.1
582G29.5Very low37.2Very low56 Ų56156.4 Ų156.458%0.57779%0.785SS**  trans-115.293.7175.300000108.4R580 Y584R580-G582 PolarHBondContact O-N 2.96Å; G582-Y584 VanDerWaalsContact C-N 3.32Å; G582-Y584 PolarHBondContact O-N 3.45Å
583N31.6Very low34.9Very low161 Ų161151.2 Ų151.286%0.86178%0.781SS**  trans-53.786.1173.1-177.864.7000111
584Y33.2Very low33.3Very low228 Ų228150.1 Ų150.189%0.89480%0.795SS**  trans-92.7107.6171.9-98.7-84.4000110.5G582G582-Y584 VanDerWaalsContact C-N 3.32Å; G582-Y584 PolarHBondContact O-N 3.45Å
585G30Very low32.4Very low54 Ų54147.9 Ų147.956%0.55780%0.797SS**  trans-18.4118.8167.800000117.5W587G585-W587 PolarHBondContact O-N 3.32Å; G585-W587 VanDerWaalsContact O-N 3.13Å
586S29.7Very low31.8Very low95 Ų95149.9 Ų149.966%0.66480%0.799SS**  trans-0.995.7135.4-174.90000115.1
587W29.3Very low31.5Very low242 Ų242151.2 Ų151.292%0.91781%0.807SS**  trans-95.896155-91.348.2000107.7G585 S589G585-W587 PolarHBondContact O-N 3.32Å; G585-W587 VanDerWaalsContact O-N 3.13Å; W587-S589 PolarHBondContact O-N 3.07Å
588Q27.3Very low31.1Very low179 Ų179148.4 Ų148.484%0.83680%0.801SS**  trans-70103.9165.6-74.9168.811.700108.7
589S35.3Very low30.7Very low97 Ų97149.4 Ų149.468%0.67880%0.803SS**  trans-121.6105.3159.123.70000108.5W587 F591W587-S589 PolarHBondContact O-N 3.07Å; S589-F591 PolarHBondContact O-N 3.49Å
590R28.4Very low30.5Very low246 Ų246155.8 Ų155.893%0.92881%0.81SS**  trans-42.8114168-67.3168.4172.4-179.2-3.2110.2
591F33Very low30.6Very low210 Ų210155.2 Ų155.292%0.92181%0.808SS**  trans-130.4119.8148.4-101.3-85.4000109.7S589S589-F591 PolarHBondContact O-N 3.49Å
592N32.3Very low30.3Very low161 Ų161154.3 Ų154.386%0.86180%0.801SS**  trans-77.8131.6-174.5177.131.5000110.3
593G27.2Very low30.5Very low75 Ų75161.9 Ų161.977%0.77381%0.814SS**  trans67110141.900000119.4
594G30.2Very low30.4Very low74 Ų74161 Ų16176%0.76381%0.81SS**  trans173.962.5166.800000115.9
595S31.5Very low30.3Very low110 Ų110154.4 Ų154.477%0.76980%0.797SS**  trans-1.9123.716049.10000121.4
596R28Very low30.3Very low240 Ų240155.4 Ų155.491%0.90681%0.807SS**  trans48.4116.6130.8-72.1178164.6163.8-4.1119.3
597Q33.8Very low30.5Very low179 Ų179157 Ų15784%0.83681%0.813SS**  -165.9122.9111.9-104.3170.447.300112
598S27.4Very low30.5Very low110 Ų110155.3 Ų155.377%0.76981%0.812SS**  trans-88124.5176.745.10000110.6
599F31.2Very low30.5Very low187 Ų187154.4 Ų154.482%0.8281%0.813SS**  trans-127.3103.4158.2-93-83.9000110
600K28.8Very low30.4Very low206 Ų206154.2 Ų154.290%0.89681%0.812SS**  trans-66.2124.3164.2-76.8175.8170.8177.50108.6
601R31.6Very low30.5Very low219 Ų219147.9 Ų147.983%0.82681%0.805SS**  trans-129.9100.5154.9-83-173.4174.6174.7-0.6108.6
602S28.1Very low30.3Very low111 Ų111147.5 Ų147.578%0.77680%0.803SS**  trans-78.6119168168.60000108.1
603Y32.2Very low30.2Very low216 Ų216151.2 Ų151.285%0.84781%0.805SS**  trans-117.5114.5160.3-88.4-81.2000108.5
604N30Very low30.5Very low143 Ų143153.3 Ų153.377%0.76581%0.808SS**  trans-77.3146.4-176.3-170.627.1000110.9
605S30.8Very low30.5Very low89 Ų89155 Ų15562%0.62281%0.809SS**  trans-59.9130-177.650.70000114.5
606G30.3Very low30.6Very low75 Ų75159.3 Ų159.377%0.77381%0.813SS**  trans-105.297.5162.200000110.3F608G606-F608 PolarHBondContact O-N 3.04Å
607T33.5Very low30.8Very low128 Ų128152.9 Ų152.979%0.78581%0.806SS**  trans-80.8101.2-179.2-28.80000109.7N609T607-N609 PolarHBondContact O-N 3.19Å
608F30Very low30.7Very low206 Ų206153.9 Ų153.990%0.90481%0.808SS**  trans-83.2107.1171.2-101.8-92.6000109.7G606G606-F608 PolarHBondContact O-N 3.04Å
609N28.2Very low31Very low161 Ų161157.5 Ų157.586%0.86181%0.809SS**  trans-96.694.3177.9-153.913.9000108.8T607T607-N609 PolarHBondContact O-N 3.19Å
610S32.6Very low31.2Very low92 Ų92157.9 Ų157.964%0.64381%0.811SS**  trans-99.1106.2173.755.80000110.3F612S610-F612 PolarHBondContact O-N 3.05Å; S610-F612 VanDerWaalsContact O-N 3.15Å
611S30Very low31.9Very low113 Ų113155.2 Ų155.279%0.7981%0.806SS**  trans-67104.6175.953.80000111.2R613S611-R613 PolarHBondContact O-N 3.13Å
612F29.6Very low31.7Very low202 Ų202152.8 Ų152.889%0.88681%0.81SS**  trans-70.1105.1166.7-104-101.4000109.8S610 S614S610-F612 PolarHBondContact O-N 3.05Å; S610-F612 VanDerWaalsContact O-N 3.15Å; F612-S614 PolarHBondContact O-N 3.45Å
613R30.3Very low32.5Very low239 Ų239156.4 Ų156.490%0.90284%0.835SS**  trans-80108.8166.4-94.6-178.5172177.7-1.3109.1S611 S615S611-R613 PolarHBondContact O-N 3.13Å; R613-S615 PolarHBondContact O-N 2.65Å
614S31.8Very low32.5Very low119 Ų119153.4 Ų153.483%0.83283%0.834SS**PPolyproline II helixtrans-53.5118.8170.2172.50000111.4F612F612-S614 PolarHBondContact O-N 3.45Å
615S31.9Very low32.6Very low111 Ų111153.9 Ų153.978%0.77684%0.838SS**PPolyproline II helixtrans-77.8129.1172.48.40000110.2R613 S617R613-S615 PolarHBondContact O-N 2.65Å; S615-S617 PolarHBondContact O-N 3.41Å
616K33.1Very low32.7Very low199 Ų199157.6 Ų157.687%0.86585%0.85SS**PPolyproline II helixtrans-48.9127-177.7-73.3170.9170.6177.70113.3
617S32.5Very low32.9Very low106 Ų106162.4 Ų162.474%0.74186%0.855SS**PPolyproline II helixtrans-65.2122.5167.558.30000111S615 K619S615-S617 PolarHBondContact O-N 3.41Å; S617-K619 PolarHBondContact O-N 2.81Å
618F30Very low32.9Very low200 Ų200164.6 Ų164.688%0.87786%0.859SS**PPolyproline II helixtrans-73119.5165.1-91.7-98.3000109
619K35.2Very low33Very low185 Ų185161.8 Ų161.880%0.80486%0.856SS**PPolyproline II helixtrans-81.7128.1168.5-79.6-176.9173.3-177.50108.3S617S617-K619 PolarHBondContact O-N 2.81Å
620F33.8Very low33.4Very low196 Ų196161.9 Ų161.986%0.8686%0.856SS**PPolyproline II helixtrans-77.9118.6163.9-85.7-94.6000107.8
621D43.4Very low33.5Very low149 Ų149167.2 Ų167.280%0.79787%0.872SS**PPolyproline II helixtrans-79.4120.2168.1-79.3-29.3000108.5S623D621-S623 PolarHBondContact O-N 2.82Å
622N28.5Very low33.7Very low169 Ų169171.8 Ų171.890%0.90488%0.879SS**  trans-76.1113.3168.2-80.8-23.4000108.5
623S44.7Very low34.1Very low186 Ų186169 Ų169100%1.30188%0.878SS**  trans-143.80157.159.80000109.2D621D621-S623 PolarHBondContact O-N 2.82Å

Retrieved 623 of 623 residues in 1028.5 ms (Link to these results)

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