A0A087Y3F4_POEFO Loading...

E3 ubiquitin-protein ligase MSL2

AlphaFold DB , UniProt , Accession A0A087Y3F4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 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
1M59.1Low86.5Confident104 Ų10459.4 Ų59.451%0.51233%0.333SS..  0136.90-71.9-59.5166.400107.5P3 T58 N93M1-P3 WeakPolarHBondContact O-CD 3.35Å; M1-T58 VanDerWaalsContact CE-O 3.3Å; M1-T58 WeakPolarHBondContact CE-O 3.23Å; M1-N93 PolarHBondContact O-ND2 3.5Å; M1-N93 PolarHBondContact O-OD1 3.44Å
2N70.8Confident87.4Confident88 Ų8857.7 Ų57.747%0.47133%0.328SS..  trans-88.1107.8-173.7-168.8-19.9000112.1V4 Q95N2-V4 VanDerWaalsContact C-N 3.29Å; N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å; N2-Q95 PolarHBondContact OD1-NE2 3.35Å
3P79.6Confident88.2Confident0 Ų053.3 Ų53.30%030%0.303CS..  trans-72.380.1167.433.8-41.3000110.8M1 D5 A6 T7 Y65 Q95 L96 L99M1-P3 WeakPolarHBondContact O-CD 3.35Å; P3-D5 VanDerWaalsContact C-N 3.3Å; P3-D5 PolarHBondContact O-N 2.72Å; P3-A6 HydrophobicContact CB-CB 4.19Å; P3-A6 PolarHBondContact O-N 3.19Å; P3-T7 WeakPolarHBondContact O-CB 3.48Å; P3-T7 PolarHBondContact O-N 3.48Å; P3-T7 PolarHBondContact O-OG1 3.3Å; P3-Y65 WeakPolarHBondContact CA-OH 3.22Å; P3-Y65 HydrophobicContact CB-CE2 4.25Å; P3-Y65 WeakPolarHBondContact CB-OH 3.21Å; P3-Q95 HydrophobicContact CG-CB 4.46Å; P3-Q95 HydrophobicContact CG-CG 4.13Å; P3-L96 HydrophobicContact CB-CD2 3.67Å; P3-L96 HydrophobicContact CB-CG 4.24Å; P3-L96 HydrophobicContact CG-CD2 3.72Å; P3-L96 HydrophobicContact CG-CG 4Å; P3-L99 HydrophobicContact CB-CD1 4.41Å; P3-L99 HydrophobicContact CG-CD1 3.55Å
4V80.6Confident88.9Confident84 Ų8451.2 Ų51.251%0.50929%0.292SS..Hα-helixtrans-58-43.4-174.9-179.70000111.4N2 T7 A8N2-V4 VanDerWaalsContact C-N 3.29Å; N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å; V4-T7 PolarHBondContact O-N 2.93Å; V4-A8 WeakPolarHBondContact O-CB 3.35Å; V4-A8 PolarHBondContact O-N 3.18Å
5D87.4Confident89.4Confident94 Ų9457.5 Ų57.550%0.50331%0.309SS..Hα-helixtrans-67.4-45.7-175.5-63.520.4000111.2P3 T7 A8 L9 Q63P3-D5 VanDerWaalsContact C-N 3.3Å; P3-D5 PolarHBondContact O-N 2.72Å; D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 PolarHBondContact O-N 2.64Å; D5-A8 PolarHBondContact O-N 2.9Å; D5-L9 WeakPolarHBondContact O-CB 3.34Å; D5-L9 WeakPolarHBondContact O-CG 3.3Å; D5-L9 PolarHBondContact O-N 2.99Å; D5-Q63 PolarHBondContact OD1-NE2 3.18Å; D5-Q63 PolarHBondContact OD2-NE2 2.93Å
6A92.4Very high89.9Confident1 Ų154.4 Ų54.41%0.00829%0.294CS..Hα-helixtrans-68.7-32.2177.300000112.4P3 L9 Y10 S41 L42 L99P3-A6 HydrophobicContact CB-CB 4.19Å; P3-A6 PolarHBondContact O-N 3.19Å; A6-L9 PolarHBondContact O-N 2.98Å; A6-Y10 WeakPolarHBondContact O-CB 3.41Å; A6-Y10 PolarHBondContact O-N 2.68Å; A6-S41 WeakPolarHBondContact CB-OG 3.07Å; A6-L42 HydrophobicContact CB-CD2 3.97Å; A6-L99 HydrophobicContact CB-CD1 4.06Å
7T94.9Very high90.3Very high41 Ų4151.3 Ų51.325%0.25228%0.277SS..Hα-helixtrans-69.2-39.8174.7-51.30000111.3P3 V4 D5 Y10 V11 Q95P3-T7 WeakPolarHBondContact O-CB 3.48Å; P3-T7 PolarHBondContact O-N 3.48Å; P3-T7 PolarHBondContact O-OG1 3.3Å; V4-T7 PolarHBondContact O-N 2.93Å; D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 PolarHBondContact O-N 2.64Å; T7-Y10 PolarHBondContact O-N 3.45Å; T7-V11 WeakPolarHBondContact O-CG2 3.32Å; T7-V11 PolarHBondContact O-N 3.48Å; T7-Q95 PolarHBondContact OG1-NE2 3.09Å
8A95.4Very high90.6Very high60 Ų6054.6 Ų54.650%0.49629%0.294SS..Hα-helixtrans-65.3-41173.600000111.9V4 D5 V11 S12V4-A8 WeakPolarHBondContact O-CB 3.35Å; V4-A8 PolarHBondContact O-N 3.18Å; D5-A8 PolarHBondContact O-N 2.9Å; A8-V11 PolarHBondContact O-N 2.97Å; A8-S12 PolarHBondContact O-N 3.34Å; A8-S12 PolarHBondContact O-OG 3.14Å
9L96.5Very high90.8Very high39 Ų3961.1 Ų61.120%0.20431%0.314CS..Hα-helixtrans-67.6-34.6176.5-75166.3000113.2D5 A6 V11 S12 A13 F37 F38D5-L9 WeakPolarHBondContact O-CB 3.34Å; D5-L9 WeakPolarHBondContact O-CG 3.3Å; D5-L9 PolarHBondContact O-N 2.99Å; A6-L9 PolarHBondContact O-N 2.98Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-S12 WeakPolarHBondContact CA-OG 3.18Å; L9-S12 PolarHBondContact O-N 3.45Å; L9-S12 PolarHBondContact O-OG 3.04Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; L9-A13 VanDerWaalsContact O-CB 3.22Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.99Å; L9-F37 HydrophobicContact CD2-CB 4Å; L9-F38 HydrophobicContact CB-CB 4.08Å; L9-F38 HydrophobicContact CB-CD2 3.89Å; L9-F38 HydrophobicContact CB-CG 4.35Å
10Y97.6Very high91Very high73 Ų7358.9 Ų58.929%0.28630%0.304SS..Hα-helixtrans-58.5-47.3170.3169.4-121.1000111.2A6 T7 T14 F38 L99 C102A6-Y10 WeakPolarHBondContact O-CB 3.41Å; A6-Y10 PolarHBondContact O-N 2.68Å; T7-Y10 PolarHBondContact O-N 3.45Å; Y10-T14 WeakPolarHBondContact CD2-OG1 3.45Å; Y10-T14 WeakPolarHBondContact CE2-OG1 3.37Å; Y10-T14 VanDerWaalsContact O-CB 3.22Å; Y10-T14 WeakPolarHBondContact O-CB 3.38Å; Y10-T14 PolarHBondContact O-N 3.42Å; Y10-T14 PolarHBondContact O-OG1 3.01Å; Y10-F38 AromaticContact CD2-CE1 3.8Å; Y10-F38 HydrophobicContact CD2-CE1 3.8Å; Y10-F38 HydrophobicContact CD2-CE2 4.5Å; Y10-F38 AromaticContact CD2-CZ 3.64Å; Y10-F38 HydrophobicContact CD2-CZ 3.64Å; Y10-F38 HydrophobicContact CG-CE2 4.47Å; Y10-F38 HydrophobicContact CG-CZ 4.01Å; Y10-L99 HydrophobicContact CD1-CD2 4.12Å; Y10-L99 HydrophobicContact CG-CD2 3.98Å; Y10-C102 HydrophobicContact CD2-CB 3.99Å; Y10-C102 HydrophobicContact CE2-CB 3.56Å
11V97.5Very high91Very high69 Ų6959 Ų5942%0.41831%0.305SS..Hα-helixtrans-67.8-38.3-179.7175.40000111.7T7 A8 L9 R15T7-V11 WeakPolarHBondContact O-CG2 3.32Å; T7-V11 PolarHBondContact O-N 3.48Å; A8-V11 PolarHBondContact O-N 2.97Å; L9-V11 VanDerWaalsContact C-N 3.34Å; V11-R15 WeakPolarHBondContact O-CB 3.25Å; V11-R15 PolarHBondContact O-N 3.1Å; V11-R15 VanDerWaalsContact O-N 3.11Å
12S96.9Very high92.4Very high39 Ų3956.4 Ų56.427%0.27330%0.296SS..Hα-helixtrans-71.1-43.8176.862.80000112.6A8 L9 R15 A16 Q34A8-S12 PolarHBondContact O-N 3.34Å; A8-S12 PolarHBondContact O-OG 3.14Å; L9-S12 WeakPolarHBondContact CA-OG 3.18Å; L9-S12 PolarHBondContact O-N 3.45Å; L9-S12 PolarHBondContact O-OG 3.04Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; S12-R15 PolarHBondContact O-N 3.47Å; S12-A16 WeakPolarHBondContact O-CB 3.41Å; S12-A16 PolarHBondContact O-N 3.31Å; S12-Q34 PolarHBondContact OG-OE1 3.01Å
13A97.3Very high93.2Very high1 Ų158.9 Ų58.91%0.00831%0.309CS..Hα-helixtrans-64.7-48.8177.600000111.6L9 R15 A16 V17 Q34 L35 F38 L106L9-A13 VanDerWaalsContact O-CB 3.22Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.99Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.03Å; A13-A16 WeakPolarHBondContact O-CB 3.35Å; A13-A16 PolarHBondContact O-N 3.04Å; A13-V17 WeakPolarHBondContact O-CG2 3.33Å; A13-V17 PolarHBondContact O-N 3.26Å; A13-Q34 HydrophobicContact CB-CB 4.15Å; A13-L35 HydrophobicContact CB-CD1 4.42Å; A13-F38 HydrophobicContact CB-CB 3.87Å; A13-F38 HydrophobicContact CB-CD1 3.83Å; A13-F38 HydrophobicContact CB-CG 4.11Å; A13-L106 HydrophobicContact CB-CD2 4.32Å
14T97.9Very high93.7Very high24 Ų2462.8 Ų62.815%0.14733%0.327CS..Hα-helixtrans-59.6-43.1177.7-54.60000111.4Y10 A16 V17 L18 L106Y10-T14 WeakPolarHBondContact CD2-OG1 3.45Å; Y10-T14 WeakPolarHBondContact CE2-OG1 3.37Å; Y10-T14 VanDerWaalsContact O-CB 3.22Å; Y10-T14 WeakPolarHBondContact O-CB 3.38Å; Y10-T14 PolarHBondContact O-N 3.42Å; Y10-T14 PolarHBondContact O-OG1 3.01Å; T14-A16 VanDerWaalsContact C-N 3.29Å; T14-A16 PolarHBondContact O-N 3.4Å; T14-V17 PolarHBondContact O-N 3.07Å; T14-L18 HydrophobicContact CG2-CD1 3.82Å; T14-L18 HydrophobicContact CG2-CG 4.32Å; T14-L18 WeakPolarHBondContact O-CB 3.38Å; T14-L18 WeakPolarHBondContact O-CG 3.24Å; T14-L18 PolarHBondContact O-N 3.46Å; T14-L106 HydrophobicContact CG2-CD1 4.23Å
15R97.5Very high93.8Very high145 Ų14562.3 Ų62.355%0.54733%0.325SS..Hα-helixtrans-65.5-28.5175.5-177.8178.4-67.5174.1-1113.3V11 S12 A13 R19V11-R15 WeakPolarHBondContact O-CB 3.25Å; V11-R15 PolarHBondContact O-N 3.1Å; V11-R15 VanDerWaalsContact O-N 3.11Å; S12-R15 PolarHBondContact O-N 3.47Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.03Å; R15-R19 WeakPolarHBondContact O-CD 3.2Å; R15-R19 WeakPolarHBondContact O-CG 3.3Å
16A96.6Very high93.8Very high9 Ų963.9 Ų63.97%0.07433%0.33CS..Hα-helixtrans-75.4-46174.600000111.3S12 A13 T14 R19 C20 E30 M31 Q34S12-A16 WeakPolarHBondContact O-CB 3.41Å; S12-A16 PolarHBondContact O-N 3.31Å; A13-A16 WeakPolarHBondContact O-CB 3.35Å; A13-A16 PolarHBondContact O-N 3.04Å; T14-A16 VanDerWaalsContact C-N 3.29Å; T14-A16 PolarHBondContact O-N 3.4Å; A16-R19 PolarHBondContact O-N 3.12Å; A16-R19 VanDerWaalsContact O-N 3.15Å; A16-C20 PolarHBondContact O-N 2.8Å; A16-C20 PolarHBondContact O-SG 3.31Å; A16-E30 HydrophobicContact CB-CG 4.36Å; A16-M31 HydrophobicContact CB-CB 4.15Å; A16-Q34 HydrophobicContact CB-CG 4.48Å
17V96.6Very high93.8Very high1 Ų166 Ų661%0.00634%0.343CS..Hα-helixtrans-57.2-51176173.60000111.3A13 T14 R19 C20 M31 L106 Y109 I110 L115A13-V17 WeakPolarHBondContact O-CG2 3.33Å; A13-V17 PolarHBondContact O-N 3.26Å; T14-V17 PolarHBondContact O-N 3.07Å; V17-R19 PolarHBondContact O-N 3.24Å; V17-C20 PolarHBondContact O-N 3.2Å; V17-C20 VanDerWaalsContact O-N 3.09Å; V17-M31 HydrophobicContact CB-SD 4.42Å; V17-M31 HydrophobicContact CG2-CG 3.66Å; V17-M31 HydrophobicContact CG2-SD 3.82Å; V17-L106 HydrophobicContact CB-CD1 3.99Å; V17-L106 HydrophobicContact CG1-CD1 3.9Å; V17-L106 HydrophobicContact CG2-CD1 4.01Å; V17-L106 HydrophobicContact CG2-CD2 4.18Å; V17-L106 HydrophobicContact CG2-CG 4.16Å; V17-Y109 HydrophobicContact CG1-CD1 3.79Å; V17-Y109 HydrophobicContact CG1-CE1 3.78Å; V17-I110 HydrophobicContact CG1-CD1 4.18Å; V17-I110 HydrophobicContact CG1-CG1 3.69Å; V17-I110 HydrophobicContact CG2-CD1 3.77Å; V17-I110 HydrophobicContact CG2-CG1 4.23Å; V17-L115 HydrophobicContact CG1-CD1 4.35Å
18L95.4Very high93.7Very high110 Ų11064.1 Ų64.158%0.57633%0.331SS*.THydrogen-bonded Turntrans-70.97.4179.8-62.8176.8000114.4T14 Y109T14-L18 HydrophobicContact CG2-CD1 3.82Å; T14-L18 HydrophobicContact CG2-CG 4.32Å; T14-L18 WeakPolarHBondContact O-CB 3.38Å; T14-L18 WeakPolarHBondContact O-CG 3.24Å; T14-L18 PolarHBondContact O-N 3.46Å; L18-Y109 HydrophobicContact CD2-CE1 4.1Å
19R94.7Very high93.6Very high179 Ų17964.2 Ų64.268%0.67533%0.332SS*.THydrogen-bonded Turntrans-120.61.9173.5-73177.2176-175.4-8113.2R15 A16 V17R15-R19 WeakPolarHBondContact O-CD 3.2Å; R15-R19 WeakPolarHBondContact O-CG 3.3Å; A16-R19 PolarHBondContact O-N 3.12Å; A16-R19 VanDerWaalsContact O-N 3.15Å; V17-R19 PolarHBondContact O-N 3.24Å
20C94.7Very high93.5Very high17 Ų1766.2 Ų66.212%0.11534%0.34CS..  trans-76.9125.6174.5-62.80000109.2A16 V17 T27 F28 L115A16-C20 PolarHBondContact O-N 2.8Å; A16-C20 PolarHBondContact O-SG 3.31Å; V17-C20 PolarHBondContact O-N 3.2Å; V17-C20 VanDerWaalsContact O-N 3.09Å; C20-T27 WeakPolarHBondContact CA-OG1 3.35Å; C20-F28 HydrophobicContact CB-CD1 4.35Å; C20-F28 HydrophobicContact CB-CD2 4.38Å; C20-F28 HydrophobicContact CB-CE1 4.26Å; C20-F28 HydrophobicContact CB-CE2 4.31Å; C20-F28 HydrophobicContact CB-CG 4.4Å; C20-F28 HydrophobicContact CB-CZ 4.23Å; C20-L115 HydrophobicContact CB-CD1 4.2Å; C20-L115 HydrophobicContact CB-CD2 3.56Å
21D91.9Very high93.4Very high62 Ų6262.8 Ų62.833%0.33233%0.327SS..  trans-101.2117.5171.9169.43.6000107.6L23 Q24 T27 F28D21-L23 PolarHBondContact O-N 3.46Å; D21-L23 WeakPolarHBondContact OD1-CB 3.37Å; D21-L23 PolarHBondContact OD1-N 3.17Å; D21-Q24 HydrophobicContact CB-CB 4.14Å; D21-Q24 HydrophobicContact CB-CG 4.43Å; D21-Q24 PolarHBondContact O-N 3.21Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.43Å; D21-T27 HydrophobicContact CB-CG2 4.28Å; D21-T27 PolarHBondContact N-OG1 3.37Å; D21-T27 PolarHBondContact O-OG1 3.16Å; D21-F28 VanDerWaalsContact O-CE2 3.31Å; D21-F28 WeakPolarHBondContact O-CE2 3.36Å
22P88.3Confident93.3Very high49 Ų4961.3 Ų61.332%0.31831%0.314SS..THydrogen-bonded Turntrans-49.9-29.4178.8-24.931.1000114.8P114 L115 S118P22-P114 HydrophobicContact CB-CB 4.34Å; P22-P114 HydrophobicContact CG-CB 3.96Å; P22-L115 HydrophobicContact CG-CD2 3.94Å; P22-S118 PolarHBondContact O-OG 2.98Å; P22-S118 VanDerWaalsContact O-OG 3.1Å
23L88.3Confident93.1Very high140 Ų14064.4 Ų64.473%0.73332%0.323SS*.THydrogen-bonded Turntrans-82.1-13.1-178.4-54.4177.7000113.5D21D21-L23 PolarHBondContact O-N 3.46Å; D21-L23 WeakPolarHBondContact OD1-CB 3.37Å; D21-L23 PolarHBondContact OD1-N 3.17Å
24Q88.4Confident93Very high82 Ų8265.8 Ų65.838%0.38333%0.329SS..  trans-129.783.9-170.1-62.3-62.3-33.100110.9D21 Q26 T27D21-Q24 HydrophobicContact CB-CB 4.14Å; D21-Q24 HydrophobicContact CB-CG 4.43Å; D21-Q24 PolarHBondContact O-N 3.21Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.43Å; Q24-Q26 VanDerWaalsContact C-OE1 3.31Å; Q24-Q26 PolarHBondContact O-N 2.85Å; Q24-T27 HydrophobicContact CB-CG2 3.93Å; Q24-T27 WeakPolarHBondContact O-CB 3.45Å; Q24-T27 WeakPolarHBondContact O-CG2 3.29Å; Q24-T27 PolarHBondContact O-N 3.2Å; Q24-T27 PolarHBondContact O-OG1 3.35Å
25P83.8Confident92.9Very high73 Ų7364.7 Ų64.747%0.47432%0.322SS..G310 helixtrans-54.1-28.6-173.1-29.136.3000115.3T27 F28P25-T27 PolarHBondContact O-N 3.42Å; P25-F28 WeakPolarHBondContact O-CB 3.42Å; P25-F28 PolarHBondContact O-N 3.47Å; P25-F28 VanDerWaalsContact O-N 3.17Å
26Q86.4Confident92.9Very high127 Ų12758.7 Ų58.759%0.59330%0.302SS*.G310 helixtrans-61.9-22.2176.268.3-80.813.300113.9Q24 F28Q24-Q26 VanDerWaalsContact C-OE1 3.31Å; Q24-Q26 PolarHBondContact O-N 2.85Å; Q26-F28 VanDerWaalsContact C-N 3.3Å; Q26-F28 PolarHBondContact O-N 3.28Å
27T92.1Very high92.8Very high47 Ų4764.2 Ų64.229%0.28832%0.324SS..G310 helixtrans-68.9-27.9176.662.50000112.7C20 D21 Q24 P25 A29C20-T27 WeakPolarHBondContact CA-OG1 3.35Å; D21-T27 HydrophobicContact CB-CG2 4.28Å; D21-T27 PolarHBondContact N-OG1 3.37Å; D21-T27 PolarHBondContact O-OG1 3.16Å; Q24-T27 HydrophobicContact CB-CG2 3.93Å; Q24-T27 WeakPolarHBondContact O-CB 3.45Å; Q24-T27 WeakPolarHBondContact O-CG2 3.29Å; Q24-T27 PolarHBondContact O-N 3.2Å; Q24-T27 PolarHBondContact O-OG1 3.35Å; P25-T27 PolarHBondContact O-N 3.42Å; T27-A29 VanDerWaalsContact C-N 3.27Å; T27-A29 PolarHBondContact O-N 2.93Å
28F93.8Very high92.8Very high1 Ų164.2 Ų64.20%0.00432%0.324CS..G310 helixtrans-71.7-17.9-178.4-67.9-110.6000113.4C20 D21 P25 Q26 E30 M31 Y32 L115 S118 I119C20-F28 HydrophobicContact CB-CD1 4.35Å; C20-F28 HydrophobicContact CB-CD2 4.38Å; C20-F28 HydrophobicContact CB-CE1 4.26Å; C20-F28 HydrophobicContact CB-CE2 4.31Å; C20-F28 HydrophobicContact CB-CG 4.4Å; C20-F28 HydrophobicContact CB-CZ 4.23Å; D21-F28 VanDerWaalsContact O-CE2 3.31Å; D21-F28 WeakPolarHBondContact O-CE2 3.36Å; P25-F28 WeakPolarHBondContact O-CB 3.42Å; P25-F28 PolarHBondContact O-N 3.47Å; P25-F28 VanDerWaalsContact O-N 3.17Å; Q26-F28 VanDerWaalsContact C-N 3.3Å; Q26-F28 PolarHBondContact O-N 3.28Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.49Å; F28-M31 HydrophobicContact CD1-CE 3.67Å; F28-M31 HydrophobicContact CE1-CE 4.4Å; F28-M31 WeakPolarHBondContact O-CA 3.25Å; F28-M31 WeakPolarHBondContact O-CB 3.48Å; F28-M31 PolarHBondContact O-N 3.28Å; F28-Y32 HydrophobicContact CB-CD2 4.07Å; F28-Y32 HydrophobicContact CB-CE1 4.13Å; F28-Y32 HydrophobicContact CB-CE2 3.58Å; F28-Y32 HydrophobicContact CD1-CE1 4.18Å; F28-Y32 PolarHBondContact O-N 2.8Å; F28-L115 HydrophobicContact CE1-CB 4.02Å; F28-L115 HydrophobicContact CE1-CD2 3.82Å; F28-L115 HydrophobicContact CE2-CD2 4.46Å; F28-L115 HydrophobicContact CZ-CB 4.35Å; F28-L115 HydrophobicContact CZ-CD2 3.52Å; F28-S118 VanDerWaalsContact CZ-CB 3.48Å; F28-I119 HydrophobicContact CD1-CG1 3.92Å; F28-I119 HydrophobicContact CE1-CD1 4.34Å; F28-I119 HydrophobicContact CE1-CG1 3.78Å
29A93.1Very high92.9Very high62 Ų6260.1 Ų60.151%0.51230%0.301SS..Hα-helixtrans-57.5-38.6-171.900000113.8T27 K33T27-A29 VanDerWaalsContact C-N 3.27Å; T27-A29 PolarHBondContact O-N 2.93Å; A29-K33 WeakPolarHBondContact O-CB 3.13Å; A29-K33 PolarHBondContact O-N 3.47Å
30E94.2Very high92.9Very high81 Ų8157.4 Ų57.438%0.37930%0.296SS..Hα-helixtrans-78.4-29.1176.4-168.360-156.900112A16 F28 K33 Q34A16-E30 HydrophobicContact CB-CG 4.36Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.49Å; E30-K33 PolarHBondContact O-N 3.31Å; E30-K33 IonicContact OE1-NZ 2.68Å; E30-K33 PolarHBondContact OE1-NZ 3.33Å; E30-K33 IonicContact OE2-NZ 3.72Å; E30-K33 PolarHBondContact OE2-NZ 3.3Å; E30-Q34 HydrophobicContact CG-CG 4.05Å; E30-Q34 WeakPolarHBondContact O-CB 3.21Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.39Å; E30-Q34 WeakPolarHBondContact OE1-CG 3.44Å; E30-Q34 PolarHBondContact OE1-NE2 2.92Å
31M95.3Very high93Very high1 Ų157.8 Ų57.81%0.00530%0.299CS..Hα-helixtrans-66.3-48.3173.3-178.2-165.674.300111A16 V17 F28 K33 Q34 L35 I110 I119A16-M31 HydrophobicContact CB-CB 4.15Å; V17-M31 HydrophobicContact CB-SD 4.42Å; V17-M31 HydrophobicContact CG2-CG 3.66Å; V17-M31 HydrophobicContact CG2-SD 3.82Å; F28-M31 HydrophobicContact CD1-CE 3.67Å; F28-M31 HydrophobicContact CE1-CE 4.4Å; F28-M31 WeakPolarHBondContact O-CA 3.25Å; F28-M31 WeakPolarHBondContact O-CB 3.48Å; F28-M31 PolarHBondContact O-N 3.28Å; M31-K33 PolarHBondContact O-N 3.26Å; M31-Q34 PolarHBondContact O-N 2.64Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 PolarHBondContact O-N 2.78Å; M31-I110 HydrophobicContact SD-CD1 4.32Å; M31-I119 HydrophobicContact CE-CD1 3.7Å; M31-I119 HydrophobicContact CE-CG1 3.99Å
32Y95.1Very high93.2Very high37 Ų3754.9 Ų54.915%0.14528%0.283CS..Hα-helixtrans-57-30.9175.7-64.2-29.1000112.8F28 P36 S118 I119 G124 S126 V129F28-Y32 HydrophobicContact CB-CD2 4.07Å; F28-Y32 HydrophobicContact CB-CE1 4.13Å; F28-Y32 HydrophobicContact CB-CE2 3.58Å; F28-Y32 HydrophobicContact CD1-CE1 4.18Å; F28-Y32 PolarHBondContact O-N 2.8Å; Y32-P36 WeakPolarHBondContact O-CD 3.47Å; Y32-P36 WeakPolarHBondContact O-CG 3.43Å; Y32-S118 PolarHBondContact OH-O 2.7Å; Y32-I119 HydrophobicContact CE1-CG1 4.08Å; Y32-I119 HydrophobicContact CE1-CG2 4.12Å; Y32-G124 VanDerWaalsContact CE2-O 3.23Å; Y32-G124 WeakPolarHBondContact CE2-O 3.23Å; Y32-G124 PolarHBondContact OH-O 3.15Å; Y32-S126 VanDerWaalsContact CD1-CB 3.44Å; Y32-V129 HydrophobicContact CD1-CB 4.31Å; Y32-V129 HydrophobicContact CD1-CG2 4.01Å
33K93.9Very high93.5Very high105 Ų10553 Ų5346%0.45727%0.271SS..Hα-helixtrans-79.8-44.5175.2171.2163.1153.5-90.60112.9A29 E30 M31 F37A29-K33 WeakPolarHBondContact O-CB 3.13Å; A29-K33 PolarHBondContact O-N 3.47Å; E30-K33 PolarHBondContact O-N 3.31Å; E30-K33 IonicContact OE1-NZ 2.68Å; E30-K33 PolarHBondContact OE1-NZ 3.33Å; E30-K33 IonicContact OE2-NZ 3.72Å; E30-K33 PolarHBondContact OE2-NZ 3.3Å; M31-K33 PolarHBondContact O-N 3.26Å; K33-F37 HydrophobicContact CG-CE2 4.2Å; K33-F37 WeakPolarHBondContact O-CD2 3.48Å; K33-F37 WeakPolarHBondContact O-CE2 3.46Å
34Q95.9Very high93.9Very high30 Ų3046.3 Ų46.314%0.1424%0.237CC..Hα-helixtrans-78.6-37.9-173.6-69.3-67.9-30.300113.7S12 A13 A16 E30 M31 F37 F38S12-Q34 PolarHBondContact OG-OE1 3.01Å; A13-Q34 HydrophobicContact CB-CB 4.15Å; A16-Q34 HydrophobicContact CB-CG 4.48Å; E30-Q34 HydrophobicContact CG-CG 4.05Å; E30-Q34 WeakPolarHBondContact O-CB 3.21Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.39Å; E30-Q34 WeakPolarHBondContact OE1-CG 3.44Å; E30-Q34 PolarHBondContact OE1-NE2 2.92Å; M31-Q34 PolarHBondContact O-N 2.64Å; Q34-F37 PolarHBondContact O-N 3.12Å; Q34-F38 PolarHBondContact O-N 3.17Å
35L95.8Very high94.2Very high1 Ų144.2 Ų44.21%0.00523%0.228CC..Hα-helixtrans-64.6-41.7-172.5-163.671.9000113.3A13 M31 F38 R39 Y103 L106 I110 V129A13-L35 HydrophobicContact CB-CD1 4.42Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 PolarHBondContact O-N 2.78Å; L35-F38 PolarHBondContact O-N 2.7Å; L35-R39 PolarHBondContact O-N 3.46Å; L35-Y103 HydrophobicContact CD1-CE2 4.27Å; L35-L106 HydrophobicContact CD1-CD2 4Å; L35-I110 HydrophobicContact CD2-CD1 3.85Å; L35-V129 HydrophobicContact CD2-CG1 3.97Å; L35-V129 HydrophobicContact CD2-CG2 4.49Å
36P95.8Very high94.8Very high19 Ų1941.2 Ų41.212%0.12321%0.208CC..Hα-helixtrans-64.8-36.4173.3-23.135.5000113.5Y32 Q40 E128 V129 L132Y32-P36 WeakPolarHBondContact O-CD 3.47Å; Y32-P36 WeakPolarHBondContact O-CG 3.43Å; P36-Q40 VanDerWaalsContact O-CB 3.25Å; P36-Q40 WeakPolarHBondContact O-CB 3.28Å; P36-Q40 PolarHBondContact O-N 3.42Å; P36-E128 WeakPolarHBondContact CB-OE1 3.33Å; P36-E128 HydrophobicContact CG-CG 4.22Å; P36-V129 HydrophobicContact CG-CG2 4.25Å; P36-L132 HydrophobicContact CB-CD1 4.19Å; P36-L132 HydrophobicContact CG-CD1 4.08Å
37F95.6Very high95.2Very high125 Ų12537.5 Ų37.555%0.54820%0.195SC..Hα-helixtrans-67.4-40.4174.3-70.5-53.1000112.4L9 K33 Q34 Q40 S41L9-F37 HydrophobicContact CD2-CB 4Å; K33-F37 HydrophobicContact CG-CE2 4.2Å; K33-F37 WeakPolarHBondContact O-CD2 3.48Å; K33-F37 WeakPolarHBondContact O-CE2 3.46Å; Q34-F37 PolarHBondContact O-N 3.12Å; F37-Q40 PolarHBondContact O-N 3.1Å; F37-S41 PolarHBondContact O-N 3.48Å
38F97.1Very high95.3Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-63.3-47175.3178.2-141.5000111.3L9 Y10 A13 Q34 L35 Q40 S41 L42 Y103 L106L9-F38 HydrophobicContact CB-CB 4.08Å; L9-F38 HydrophobicContact CB-CD2 3.89Å; L9-F38 HydrophobicContact CB-CG 4.35Å; Y10-F38 AromaticContact CD2-CE1 3.8Å; Y10-F38 HydrophobicContact CD2-CE1 3.8Å; Y10-F38 HydrophobicContact CD2-CE2 4.5Å; Y10-F38 AromaticContact CD2-CZ 3.64Å; Y10-F38 HydrophobicContact CD2-CZ 3.64Å; Y10-F38 HydrophobicContact CG-CE2 4.47Å; Y10-F38 HydrophobicContact CG-CZ 4.01Å; A13-F38 HydrophobicContact CB-CB 3.87Å; A13-F38 HydrophobicContact CB-CD1 3.83Å; A13-F38 HydrophobicContact CB-CG 4.11Å; Q34-F38 PolarHBondContact O-N 3.17Å; L35-F38 PolarHBondContact O-N 2.7Å; F38-Q40 PolarHBondContact O-N 2.93Å; F38-S41 PolarHBondContact O-N 2.97Å; F38-S41 PolarHBondContact O-OG 3.45Å; F38-L42 HydrophobicContact CD2-CD1 4.18Å; F38-L42 HydrophobicContact CD2-CG 4.47Å; F38-L42 HydrophobicContact CE2-CD1 3.48Å; F38-L42 VanDerWaalsContact CE2-CD1 3.48Å; F38-L42 HydrophobicContact CE2-CG 4.05Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 PolarHBondContact O-N 2.94Å; F38-Y103 AromaticContact CD1-CD2 3.8Å; F38-Y103 HydrophobicContact CD1-CD2 3.8Å; F38-Y103 AromaticContact CE1-CD2 3.81Å; F38-Y103 HydrophobicContact CE1-CD2 3.81Å; F38-Y103 HydrophobicContact CE1-CG 4.24Å; F38-L106 HydrophobicContact CE1-CD2 4.43Å
39R96.8Very high95.4Very high24 Ų2443.5 Ų43.59%0.09123%0.228CC..Hα-helixtrans-50.6-56.1168.9-169.9-37.2-164.7-57.63.8110.1L35 S41 L42 S43 L50 Y103 L132 E135L35-R39 PolarHBondContact O-N 3.46Å; R39-S41 PolarHBondContact O-N 3.3Å; R39-S41 VanDerWaalsContact O-N 3.12Å; R39-L42 CarbonylContact O-C 3.52Å; R39-L42 WeakPolarHBondContact O-CA 3.31Å; R39-L42 PolarHBondContact O-N 3.29Å; R39-S43 PolarHBondContact O-N 3.3Å; R39-S43 VanDerWaalsContact O-N 3.15Å; R39-L50 VanDerWaalsContact NH2-N 3.18Å; R39-Y103 HydrophobicContact CB-CE2 3.96Å; R39-Y103 HydrophobicContact CG-CE1 4.4Å; R39-Y103 HydrophobicContact CG-CE2 4.34Å; R39-Y103 WeakPolarHBondContact CG-OH 3.46Å; R39-L132 HydrophobicContact CB-CD1 4.26Å; R39-L132 HydrophobicContact CB-CD2 4.45Å; R39-L132 HydrophobicContact CG-CD1 4.44Å; R39-L132 HydrophobicContact CG-CD2 3.74Å; R39-E135 IonicContact CZ-OE1 2.69Å; R39-E135 IonicContact CZ-OE2 3.12Å; R39-E135 IonicContact NH1-OE1 3.38Å; R39-E135 IonicContact NH1-OE2 2.72Å; R39-E135 PolarHBondContact NH1-OE2 3Å; R39-E135 IonicContact NH2-OE1 2.65Å; R39-E135 PolarHBondContact NH2-OE1 3.41Å; R39-E135 IonicContact NH2-OE2 2.82Å; R39-E135 PolarHBondContact NH2-OE2 3.48Å
40Q95Very high95.5Very high123 Ų12341.5 Ų41.558%0.57521%0.209SC*.Hα-helixtrans-57.9-31.8-173-178.156.571.200112.4P36 F37 F38 L42 S43P36-Q40 VanDerWaalsContact O-CB 3.25Å; P36-Q40 WeakPolarHBondContact O-CB 3.28Å; P36-Q40 PolarHBondContact O-N 3.42Å; F37-Q40 PolarHBondContact O-N 3.1Å; F38-Q40 PolarHBondContact O-N 2.93Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 2.82Å; Q40-S43 PolarHBondContact NE2-OG 2.94Å; Q40-S43 PolarHBondContact O-N 3.45Å; Q40-S43 PolarHBondContact O-OG 2.9Å
41S95.3Very high95.6Very high25 Ų2537.9 Ų37.918%0.17519%0.192CC..Hα-helixtrans-70-22173.678.50000114.6A6 F37 F38 R39A6-S41 WeakPolarHBondContact CB-OG 3.07Å; F37-S41 PolarHBondContact O-N 3.48Å; F38-S41 PolarHBondContact O-N 2.97Å; F38-S41 PolarHBondContact O-OG 3.45Å; R39-S41 PolarHBondContact O-N 3.3Å; R39-S41 VanDerWaalsContact O-N 3.12Å
42L96.4Very high95.7Very high0 Ų044.4 Ų44.40%022%0.223CC..THydrogen-bonded Turntrans-105.214.8175.7-59.9178.6000113.2A6 F38 R39 Q40 L50 L51 L96 L99 V100 Y103A6-L42 HydrophobicContact CB-CD2 3.97Å; F38-L42 HydrophobicContact CD2-CD1 4.18Å; F38-L42 HydrophobicContact CD2-CG 4.47Å; F38-L42 HydrophobicContact CE2-CD1 3.48Å; F38-L42 VanDerWaalsContact CE2-CD1 3.48Å; F38-L42 HydrophobicContact CE2-CG 4.05Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 PolarHBondContact O-N 2.94Å; R39-L42 CarbonylContact O-C 3.52Å; R39-L42 WeakPolarHBondContact O-CA 3.31Å; R39-L42 PolarHBondContact O-N 3.29Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 2.82Å; L42-L50 HydrophobicContact CB-CD1 3.96Å; L42-L51 WeakPolarHBondContact O-CD1 3.45Å; L42-L51 VanDerWaalsContact O-CG 3.24Å; L42-L51 WeakPolarHBondContact O-CG 3.46Å; L42-L51 PolarHBondContact O-N 3.08Å; L42-L96 HydrophobicContact CD2-CD2 3.97Å; L42-L99 HydrophobicContact CD1-CB 4.25Å; L42-L99 WeakPolarHBondContact CD1-O 3.26Å; L42-L99 HydrophobicContact CD2-CB 3.81Å; L42-V100 HydrophobicContact CB-CG2 4.47Å; L42-Y103 HydrophobicContact CD1-CG 4.32Å
43S96Very high95.8Very high9 Ų947.7 Ų47.76%0.06324%0.243CC..BIsolated β-bridgetrans-86142.9175.569.50000111.8R39 Q40 L45 K49R39-S43 PolarHBondContact O-N 3.3Å; R39-S43 VanDerWaalsContact O-N 3.15Å; Q40-S43 PolarHBondContact NE2-OG 2.94Å; Q40-S43 PolarHBondContact O-N 3.45Å; Q40-S43 PolarHBondContact O-OG 2.9Å; S43-L45 PolarHBondContact O-N 3.48Å; S43-K49 CarbonylContact C-O 3.6Å; S43-K49 WeakPolarHBondContact CA-O 3.15Å
44C96.1Very high95.9Very high1 Ų143 Ų431%0.00722%0.223CC..  trans-72.6125.2173.7173.50000110.8V46 C47 G48 K49 L51 C67C44-V46 PolarHBondContact O-N 3.25Å; C44-V46 PolarHBondContact SG-N 3Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; C44-C47 WeakPolarHBondContact CB-SG 3.42Å; C44-C47 VanDerWaalsContact SG-SG 3.63Å; C44-G48 VanDerWaalsContact O-CA 3.27Å; C44-G48 WeakPolarHBondContact O-CA 3.36Å; C44-G48 PolarHBondContact O-N 3.3Å; C44-K49 PolarHBondContact N-O 3Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; C44-C67 VanDerWaalsContact CB-SG 3.51Å; C44-C67 PolarHBondContact SG-N 3.29Å; C44-C67 VanDerWaalsContact SG-N 3.4Å; C44-C67 VanDerWaalsContact SG-SG 3.64Å
45L94.7Very high95.8Very high37 Ų3741.6 Ų41.619%0.19422%0.216CC..THydrogen-bonded Turntrans-68.1-2.6-179.3-64.2172.7000114.9S43 H64 Y65 V66 M75 K76 I77S43-L45 PolarHBondContact O-N 3.48Å; L45-H64 HydrophobicContact CD1-CB 3.56Å; L45-H64 VanDerWaalsContact CD1-CD2 3.47Å; L45-H64 WeakPolarHBondContact CD1-CD2 3.49Å; L45-Y65 WeakPolarHBondContact CG-O 3.33Å; L45-Y65 PolarHBondContact N-O 2.89Å; L45-V66 HydrophobicContact CB-CG1 4.16Å; L45-M75 HydrophobicContact CB-CB 4.42Å; L45-M75 HydrophobicContact CB-CG 4.44Å; L45-M75 CarbonylContact O-C 3.48Å; L45-M75 VanDerWaalsContact O-CA 3.32Å; L45-M75 WeakPolarHBondContact O-CA 3.07Å; L45-K76 PolarHBondContact O-N 3.15Å; L45-I77 HydrophobicContact CB-CG2 4.44Å; L45-I77 HydrophobicContact CD1-CG2 4.03Å; L45-I77 HydrophobicContact CD2-CG2 3.96Å; L45-I77 HydrophobicContact CG-CG2 4.38Å
46V95.5Very high95.7Very high10 Ų1041.8 Ų41.86%0.06122%0.217CC..THydrogen-bonded Turntrans-105-67.8174.5172.90000110.3C44 V66 C70 Q73 M75 K76C44-V46 PolarHBondContact O-N 3.25Å; C44-V46 PolarHBondContact SG-N 3Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; V46-V66 HydrophobicContact CG2-CG1 3.85Å; V46-C70 HydrophobicContact CB-CB 3.78Å; V46-C70 HydrophobicContact CG1-CB 4.01Å; V46-C70 HydrophobicContact CG2-CB 4.12Å; V46-Q73 HydrophobicContact CB-CB 4.46Å; V46-Q73 HydrophobicContact CG1-CB 3.54Å; V46-Q73 HydrophobicContact CG1-CG 4.36Å; V46-Q73 HydrophobicContact CG2-CB 4.08Å; V46-M75 HydrophobicContact CG2-CG 4.1Å; V46-K76 VanDerWaalsContact O-CD 3.23Å; V46-K76 WeakPolarHBondContact O-CD 3.43Å; V46-K76 WeakPolarHBondContact O-CE 3.46Å; V46-K76 PolarHBondContact O-NZ 2.99Å
47C96Very high95.5Very high49 Ų4941 Ų4133%0.33121%0.213SC..THydrogen-bonded Turntrans-73-38.1-176.166.40000111.8C44 K76C44-C47 WeakPolarHBondContact CB-SG 3.42Å; C44-C47 VanDerWaalsContact SG-SG 3.63Å; C47-K76 PolarHBondContact O-NZ 3.37Å
48G94Very high95Very high38 Ų3837.4 Ų37.439%0.39220%0.201SC..  trans91.9-8.8-175.400000114.4C44C44-G48 VanDerWaalsContact O-CA 3.27Å; C44-G48 WeakPolarHBondContact O-CA 3.36Å; C44-G48 PolarHBondContact O-N 3.3Å
49K95.3Very high94.2Very high137 Ų13741.9 Ų41.960%0.59622%0.222SC*.SBendtrans-67.1172.5168.2-61.8-168.9173-167.50110.9S43 C44S43-K49 CarbonylContact C-O 3.6Å; S43-K49 WeakPolarHBondContact CA-O 3.15Å; C44-K49 PolarHBondContact N-O 3Å
50L96.3Very high93.2Very high19 Ų1944.1 Ų44.110%0.09924%0.24CC..BIsolated β-bridgetrans-51.3148.3161.9-167.961.6000110.3R39 L42 V100 Y103 R104R39-L50 VanDerWaalsContact NH2-N 3.18Å; L42-L50 HydrophobicContact CB-CD1 3.96Å; L50-V100 HydrophobicContact CD1-CG2 4.43Å; L50-V100 HydrophobicContact CD2-CG1 3.97Å; L50-V100 HydrophobicContact CG-CG1 4.05Å; L50-Y103 HydrophobicContact CD1-CD1 3.63Å; L50-Y103 HydrophobicContact CD1-CE1 3.88Å; L50-Y103 HydrophobicContact CD2-CD1 3.87Å; L50-Y103 HydrophobicContact CD2-CE1 4.05Å; L50-Y103 HydrophobicContact CG-CD1 4.44Å; L50-R104 HydrophobicContact CD2-CG 4.08Å
51L96.5Very high92.4Very high5 Ų545.2 Ų45.23%0.02625%0.245CC..PPolyproline II helixtrans-66.4133.3177.2-76.8159.8000112L42 C44 P54 Y65 V66 V100L42-L51 WeakPolarHBondContact O-CD1 3.45Å; L42-L51 VanDerWaalsContact O-CG 3.24Å; L42-L51 WeakPolarHBondContact O-CG 3.46Å; L42-L51 PolarHBondContact O-N 3.08Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; L51-P54 HydrophobicContact CB-CB 4.04Å; L51-P54 HydrophobicContact CD1-CB 4.22Å; L51-P54 HydrophobicContact CD2-CB 4.31Å; L51-P54 HydrophobicContact CG-CB 4.42Å; L51-Y65 HydrophobicContact CD1-CD2 4.28Å; L51-Y65 HydrophobicContact CD1-CG 4.32Å; L51-V66 VanDerWaalsContact CD2-C 3.44Å; L51-V100 HydrophobicContact CB-CG2 3.87Å
52E96.2Very high92Very high139 Ų13945.2 Ų45.265%0.6524%0.244SC*.SBendtrans-126.2125178.7177.3-178.1-152.400105.9C67 L68E52-C67 HydrophobicContact CB-CB 4.44Å; E52-C67 PolarHBondContact N-SG 3.05Å; E52-C67 VanDerWaalsContact N-SG 3.37Å; E52-C67 WeakPolarHBondContact O-CA 3.31Å; E52-C67 WeakPolarHBondContact O-CB 3.39Å; E52-C67 PolarHBondContact O-SG 3.1Å; E52-L68 PolarHBondContact O-N 3.01Å
53D96.6Very high91.5Very high106 Ų10647.9 Ų47.957%0.56726%0.257SS*.SBendtrans41.966.8-164.9-65.5-27.5000113.5I55 L68D53-I55 PolarHBondContact O-N 2.93Å; D53-I55 VanDerWaalsContact O-N 3.07Å; D53-L68 HydrophobicContact CB-CB 3.54Å; D53-L68 HydrophobicContact CB-CD2 4.28Å; D53-L68 PolarHBondContact O-N 2.82Å
54P96.3Very high91.3Very high5 Ų549.4 Ų49.43%0.03226%0.263CS..EExtended strand (participates in β ladder)trans-63.1113.1-171.220.5-30.6000112.9L51 N93 L96 S97L51-P54 HydrophobicContact CB-CB 4.04Å; L51-P54 HydrophobicContact CD1-CB 4.22Å; L51-P54 HydrophobicContact CD2-CB 4.31Å; L51-P54 HydrophobicContact CG-CB 4.42Å; P54-N93 PolarHBondContact O-N 3.31Å; P54-L96 HydrophobicContact CB-CB 3.57Å; P54-L96 HydrophobicContact CB-CD1 4.12Å; P54-L96 HydrophobicContact CB-CG 4.49Å; P54-L96 HydrophobicContact CG-CB 3.69Å; P54-S97 WeakPolarHBondContact CG-OG 3.42Å
55I95.1Very high91.2Very high2 Ų250.1 Ų50.11%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-100.9143.3168.360.4170.2000110.8D53 V66 L68 K71 F90 Q91 E92D53-I55 PolarHBondContact O-N 2.93Å; D53-I55 VanDerWaalsContact O-N 3.07Å; I55-V66 HydrophobicContact CD1-CG2 3.79Å; I55-V66 HydrophobicContact CG1-CG2 3.6Å; I55-V66 VanDerWaalsContact CG1-O 3.22Å; I55-V66 WeakPolarHBondContact CG1-O 3.45Å; I55-V66 PolarHBondContact N-O 3.29Å; I55-V66 PolarHBondContact O-N 3.49Å; I55-V66 VanDerWaalsContact O-N 3.15Å; I55-L68 HydrophobicContact CG2-CB 4.3Å; I55-L68 HydrophobicContact CG2-CD1 3.94Å; I55-K71 HydrophobicContact CD1-CB 3.75Å; I55-K71 HydrophobicContact CD1-CD 3.8Å; I55-K71 HydrophobicContact CD1-CG 3.82Å; I55-F90 HydrophobicContact CB-CB 4.49Å; I55-F90 HydrophobicContact CB-CD1 4.44Å; I55-F90 HydrophobicContact CD1-CB 4.09Å; I55-F90 HydrophobicContact CD1-CD1 4.18Å; I55-F90 HydrophobicContact CG1-CD1 4.1Å; I55-Q91 CarbonylContact C-O 3.36Å; I55-Q91 WeakPolarHBondContact CA-O 3.43Å; I55-E92 HydrophobicContact CG2-CG 4.2Å
56S92.6Very high91.2Very high4 Ų448.4 Ų48.43%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-137.9151.8-179.7670000110.5F90 Q91 N93S56-F90 WeakPolarHBondContact O-CA 3.11Å; S56-Q91 PolarHBondContact N-O 3.11Å; S56-Q91 PolarHBondContact O-N 3.07Å; S56-Q91 VanDerWaalsContact O-O 3.12Å; S56-N93 WeakPolarHBondContact OG-CB 3.34Å; S56-N93 PolarHBondContact OG-ND2 3.34Å
57P91.8Very high91.3Very high4 Ų448.1 Ų48.13%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-66.8145.417629.4-34.6000110.5H59 H64 C89 F90P57-H59 PolarHBondContact O-N 3.06Å; P57-H64 WeakPolarHBondContact CD-O 3.48Å; P57-C89 CarbonylContact C-O 3.59Å; P57-C89 WeakPolarHBondContact CA-O 3.46Å; P57-F90 HydrophobicContact CB-CD2 4.33Å; P57-F90 HydrophobicContact CB-CE2 4.03Å; P57-F90 HydrophobicContact CB-CZ 4.13Å; P57-F90 HydrophobicContact CG-CE1 4.47Å; P57-F90 HydrophobicContact CG-CZ 4.21Å
58T86.1Confident91.3Very high49 Ų4949.2 Ų49.230%0.30126%0.257SS..SBendtrans-62.2-8.8175.749.80000114.2M1 P60 C89 Q91M1-T58 VanDerWaalsContact CE-O 3.3Å; M1-T58 WeakPolarHBondContact CE-O 3.23Å; T58-P60 WeakPolarHBondContact O-CD 3.5Å; T58-C89 WeakPolarHBondContact CG2-O 3.38Å; T58-C89 PolarHBondContact N-O 3.2Å; T58-C89 PolarHBondContact OG1-O 2.93Å; T58-Q91 HydrophobicContact CG2-CB 4.5Å
59H80.4Confident91.4Very high93 Ų9350.5 Ų50.543%0.43127%0.27SS..  trans-102.2104.3174.1-60.6-47.8000111.2P57 E61P57-H59 PolarHBondContact O-N 3.06Å; H59-E61 VanDerWaalsContact C-N 3.28Å; H59-E61 PolarHBondContact O-N 3.46Å
60P74.3Confident91.4Very high72 Ų7244.6 Ų44.647%0.46825%0.246SC..G310 helixtrans-69.4-20.3-169.327.1-35.9000114.5T58 C62 Q63T58-P60 WeakPolarHBondContact O-CD 3.5Å; P60-C62 PolarHBondContact O-N 2.98Å; P60-Q63 WeakPolarHBondContact O-CG 3.34Å; P60-Q63 PolarHBondContact O-N 3.38Å
61E79.4Confident91.3Very high146 Ų14648 Ų4868%0.68226%0.26SS*.G310 helixtrans-52.5-16.5-175.2-70.8178.7-117.100116.2H59 R83H59-E61 VanDerWaalsContact C-N 3.28Å; H59-E61 PolarHBondContact O-N 3.46Å; E61-R83 VanDerWaalsContact CD-CZ 3.45Å; E61-R83 VanDerWaalsContact CD-NH1 3.33Å; E61-R83 IonicContact OE1-CZ 2.64Å; E61-R83 IonicContact OE1-NH1 2.78Å; E61-R83 PolarHBondContact OE1-NH1 2.95Å; E61-R83 IonicContact OE1-NH2 2.92Å; E61-R83 PolarHBondContact OE1-NH2 3.21Å; E61-R83 IonicContact OE2-CZ 2.68Å; E61-R83 IonicContact OE2-NH1 3.68Å; E61-R83 IonicContact OE2-NH2 3.91Å; E61-R83 PolarHBondContact OE2-NH2 2.89Å
62C85.5Confident90.9Very high25 Ų2550 Ų5017%0.16928%0.282CS..G310 helixtrans-115.2-9.9-173.665.20000115.2P60 H64P60-C62 PolarHBondContact O-N 2.98Å; C62-H64 PolarHBondContact O-CD2 3.22Å; C62-H64 PolarHBondContact O-CE1 3.47Å; C62-H64 VanDerWaalsContact O-CG 3.3Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.2Å
63Q87.6Confident90.7Very high56 Ų5647.9 Ų47.926%0.26227%0.272SS..  trans42.735.2174.3-64.3-166.382.500115.7D5 P60 Y65D5-Q63 PolarHBondContact OD1-NE2 3.18Å; D5-Q63 PolarHBondContact OD2-NE2 2.93Å; P60-Q63 WeakPolarHBondContact O-CG 3.34Å; P60-Q63 PolarHBondContact O-N 3.38Å; Q63-Y65 HydrophobicContact CB-CE1 4.29Å; Q63-Y65 WeakPolarHBondContact CB-OH 3.19Å; Q63-Y65 WeakPolarHBondContact CG-OH 3.35Å; Q63-Y65 PolarHBondContact OE1-OH 3.23Å; Q63-Y65 VanDerWaalsContact OE1-OH 3.1Å
64H90.9Very high90.4Very high40 Ų4052 Ų5219%0.18529%0.285CS..  trans-93117.4179.5-65.9128.3000111.1L45 P57 C62 C81 C84L45-H64 HydrophobicContact CD1-CB 3.56Å; L45-H64 VanDerWaalsContact CD1-CD2 3.47Å; L45-H64 WeakPolarHBondContact CD1-CD2 3.49Å; P57-H64 WeakPolarHBondContact CD-O 3.48Å; C62-H64 PolarHBondContact O-CD2 3.22Å; C62-H64 PolarHBondContact O-CE1 3.47Å; C62-H64 VanDerWaalsContact O-CG 3.3Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.2Å; H64-C81 VanDerWaalsContact CE1-CB 3.42Å; H64-C81 WeakPolarHBondContact CE1-CB 3.07Å; H64-C81 VanDerWaalsContact CE1-SG 3.53Å; H64-C84 PolarHBondContact ND1-SG 3.2Å
65Y93.8Very high90.2Very high17 Ų1752.8 Ų52.87%0.06729%0.289CS..  trans-114.7140.6-174.1-45.5-42.2000111.5P3 L45 L51 Q63 L96P3-Y65 WeakPolarHBondContact CA-OH 3.22Å; P3-Y65 HydrophobicContact CB-CE2 4.25Å; P3-Y65 WeakPolarHBondContact CB-OH 3.21Å; L45-Y65 WeakPolarHBondContact CG-O 3.33Å; L45-Y65 PolarHBondContact N-O 2.89Å; L51-Y65 HydrophobicContact CD1-CD2 4.28Å; L51-Y65 HydrophobicContact CD1-CG 4.32Å; Q63-Y65 HydrophobicContact CB-CE1 4.29Å; Q63-Y65 WeakPolarHBondContact CB-OH 3.19Å; Q63-Y65 WeakPolarHBondContact CG-OH 3.35Å; Q63-Y65 PolarHBondContact OE1-OH 3.23Å; Q63-Y65 VanDerWaalsContact OE1-OH 3.1Å; Y65-L96 HydrophobicContact CD1-CD1 3.44Å; Y65-L96 VanDerWaalsContact CD1-CD1 3.44Å; Y65-L96 HydrophobicContact CD2-CD1 4Å; Y65-L96 HydrophobicContact CD2-CD2 3.93Å; Y65-L96 HydrophobicContact CE1-CD1 3.81Å; Y65-L96 HydrophobicContact CE2-CD1 4.32Å; Y65-L96 HydrophobicContact CE2-CD2 3.85Å; Y65-L96 HydrophobicContact CG-CD1 3.55Å; Y65-L96 HydrophobicContact CG-CD2 4.35Å
66V95.5Very high89.9Confident0 Ų059.8 Ų59.80%032%0.319CS..EExtended strand (participates in β ladder)trans-140.9160.5173.6-59.20000110.5L45 V46 L51 I55 C70 M75 F90L45-V66 HydrophobicContact CB-CG1 4.16Å; V46-V66 HydrophobicContact CG2-CG1 3.85Å; L51-V66 VanDerWaalsContact CD2-C 3.44Å; I55-V66 HydrophobicContact CD1-CG2 3.79Å; I55-V66 HydrophobicContact CG1-CG2 3.6Å; I55-V66 VanDerWaalsContact CG1-O 3.22Å; I55-V66 WeakPolarHBondContact CG1-O 3.45Å; I55-V66 PolarHBondContact N-O 3.29Å; I55-V66 PolarHBondContact O-N 3.49Å; I55-V66 VanDerWaalsContact O-N 3.15Å; V66-C70 HydrophobicContact CB-CB 4.15Å; V66-M75 HydrophobicContact CG1-CE 4.16Å; V66-M75 HydrophobicContact CG1-CG 4.44Å; V66-F90 HydrophobicContact CG2-CD1 4.12Å; V66-F90 HydrophobicContact CG2-CE1 4.01Å
67C97.2Very high89.6Confident4 Ų461.6 Ų61.63%0.02733%0.328CS..EExtended strand (participates in β ladder)trans-69.8155.8171.4-53.20000110.9C44 E52 G69 C70 K71C44-C67 VanDerWaalsContact CB-SG 3.51Å; C44-C67 PolarHBondContact SG-N 3.29Å; C44-C67 VanDerWaalsContact SG-N 3.4Å; C44-C67 VanDerWaalsContact SG-SG 3.64Å; E52-C67 HydrophobicContact CB-CB 4.44Å; E52-C67 PolarHBondContact N-SG 3.05Å; E52-C67 VanDerWaalsContact N-SG 3.37Å; E52-C67 WeakPolarHBondContact O-CA 3.31Å; E52-C67 WeakPolarHBondContact O-CB 3.39Å; E52-C67 PolarHBondContact O-SG 3.1Å; C67-G69 VanDerWaalsContact C-N 3.35Å; C67-G69 PolarHBondContact O-N 3.01Å; C67-C70 HydrophobicContact CB-CB 4.02Å; C67-C70 WeakPolarHBondContact O-CA 3.22Å; C67-C70 WeakPolarHBondContact O-CB 3.47Å; C67-C70 PolarHBondContact O-N 3.26Å; C67-K71 PolarHBondContact O-N 3.12Å
68L95.8Very high89Confident73 Ų7374.1 Ų74.138%0.38238%0.375SS..G310 helixtrans-55.7-48.1174.4-178.259.5000111.6E52 D53 I55 C70 K71E52-L68 PolarHBondContact O-N 3.01Å; D53-L68 HydrophobicContact CB-CB 3.54Å; D53-L68 HydrophobicContact CB-CD2 4.28Å; D53-L68 PolarHBondContact O-N 2.82Å; I55-L68 HydrophobicContact CG2-CB 4.3Å; I55-L68 HydrophobicContact CG2-CD1 3.94Å; L68-C70 PolarHBondContact O-N 3.49Å; L68-C70 VanDerWaalsContact O-N 3.14Å; L68-K71 VanDerWaalsContact O-CB 3.27Å; L68-K71 WeakPolarHBondContact O-CB 3.01Å; L68-K71 PolarHBondContact O-N 2.98Å; L68-K71 VanDerWaalsContact O-N 3.11Å
69G95.6Very high88.8Confident65 Ų6576.3 Ų76.367%0.6739%0.392SS*.G310 helixtrans-65.2-11.4173.900000115.3C67 Q73C67-G69 VanDerWaalsContact C-N 3.35Å; C67-G69 PolarHBondContact O-N 3.01Å; G69-Q73 PolarHBondContact O-NE2 3.21Å
70C95.9Very high89Confident12 Ų1276.3 Ų76.38%0.08140%0.402CS..G310 helixtrans-95.31.9175.1-75.20000113.7V46 V66 C67 L68 Q73V46-C70 HydrophobicContact CB-CB 3.78Å; V46-C70 HydrophobicContact CG1-CB 4.01Å; V46-C70 HydrophobicContact CG2-CB 4.12Å; V66-C70 HydrophobicContact CB-CB 4.15Å; C67-C70 HydrophobicContact CB-CB 4.02Å; C67-C70 WeakPolarHBondContact O-CA 3.22Å; C67-C70 WeakPolarHBondContact O-CB 3.47Å; C67-C70 PolarHBondContact O-N 3.26Å; L68-C70 PolarHBondContact O-N 3.49Å; L68-C70 VanDerWaalsContact O-N 3.14Å; C70-Q73 WeakPolarHBondContact O-CB 3.46Å; C70-Q73 PolarHBondContact O-N 3.17Å
71K93.4Very high89.6Confident90 Ų9074 Ų7439%0.39139%0.388SS..THydrogen-bonded Turntrans-57.8136.8178.1-163.8167.1-174.6163.30111I55 C67 L68 Q73 Y87 F90I55-K71 HydrophobicContact CD1-CB 3.75Å; I55-K71 HydrophobicContact CD1-CD 3.8Å; I55-K71 HydrophobicContact CD1-CG 3.82Å; C67-K71 PolarHBondContact O-N 3.12Å; L68-K71 VanDerWaalsContact O-CB 3.27Å; L68-K71 WeakPolarHBondContact O-CB 3.01Å; L68-K71 PolarHBondContact O-N 2.98Å; L68-K71 VanDerWaalsContact O-N 3.11Å; K71-Q73 VanDerWaalsContact C-N 3.26Å; K71-Q73 PolarHBondContact O-N 3.44Å; K71-Y87 WeakPolarHBondContact CE-O 3.43Å; K71-Y87 HydrophobicContact CG-CD1 4.35Å; K71-Y87 PolarHBondContact NZ-O 3.4Å; K71-F90 PolarHBondContact NZ-O 2.77Å
72G89.7Confident89.9Confident48 Ų4873 Ų7350%0.49539%0.387SS..THydrogen-bonded Turntrans82.3-17-178.100000115.9
73Q91.4Very high89.8Confident95 Ų9576.9 Ų76.944%0.44440%0.398SS..SBendtrans-82.4160.5-172-57.8-169.829.400113.8V46 G69 C70 K71 M75 Y87V46-Q73 HydrophobicContact CB-CB 4.46Å; V46-Q73 HydrophobicContact CG1-CB 3.54Å; V46-Q73 HydrophobicContact CG1-CG 4.36Å; V46-Q73 HydrophobicContact CG2-CB 4.08Å; G69-Q73 PolarHBondContact O-NE2 3.21Å; C70-Q73 WeakPolarHBondContact O-CB 3.46Å; C70-Q73 PolarHBondContact O-N 3.17Å; K71-Q73 VanDerWaalsContact C-N 3.26Å; K71-Q73 PolarHBondContact O-N 3.44Å; Q73-M75 PolarHBondContact O-N 2.83Å; Q73-Y87 PolarHBondContact O-OH 2.99Å
74K90.6Very high89.7Confident191 Ų19174.5 Ų74.583%0.8339%0.388SS*.  trans-71.2109.8-175.1-175.4-177.1176.5-175.10112.4
75M91.5Very high89.4Confident23 Ų2378.9 Ų78.911%0.11341%0.406CS..  trans-65.4138.5175.7-59177-168.800113.2L45 V46 V66 Q73 I77 C84 Y87 F90L45-M75 HydrophobicContact CB-CB 4.42Å; L45-M75 HydrophobicContact CB-CG 4.44Å; L45-M75 CarbonylContact O-C 3.48Å; L45-M75 VanDerWaalsContact O-CA 3.32Å; L45-M75 WeakPolarHBondContact O-CA 3.07Å; V46-M75 HydrophobicContact CG2-CG 4.1Å; V66-M75 HydrophobicContact CG1-CE 4.16Å; V66-M75 HydrophobicContact CG1-CG 4.44Å; Q73-M75 PolarHBondContact O-N 2.83Å; M75-I77 HydrophobicContact CB-CD1 4.17Å; M75-I77 HydrophobicContact CB-CG1 3.99Å; M75-I77 HydrophobicContact CB-CG2 4.46Å; M75-I77 PolarHBondContact O-N 3.27Å; M75-I77 VanDerWaalsContact O-N 3.15Å; M75-I77 HydrophobicContact SD-CD1 4.27Å; M75-C84 HydrophobicContact CE-CB 4.01Å; M75-C84 HydrophobicContact SD-CB 4.25Å; M75-Y87 HydrophobicContact CE-CE1 3.68Å; M75-F90 HydrophobicContact CE-CE1 4.42Å; M75-F90 HydrophobicContact CE-CZ 3.82Å
76K88.9Confident89Confident149 Ų14982.2 Ų82.265%0.64843%0.425SS*.  trans-83.138.2178.1-63.3173.9176.3163.50113.1L45 V46 C47L45-K76 PolarHBondContact O-N 3.15Å; V46-K76 VanDerWaalsContact O-CD 3.23Å; V46-K76 WeakPolarHBondContact O-CD 3.43Å; V46-K76 WeakPolarHBondContact O-CE 3.46Å; V46-K76 PolarHBondContact O-NZ 2.99Å; C47-K76 PolarHBondContact O-NZ 3.37Å
77I86.5Confident88.5Confident42 Ų4285 Ų8522%0.21544%0.436CS..  trans-90.8140.7-177.452.5-179.2000112.5L45 M75 S79 C81L45-I77 HydrophobicContact CB-CG2 4.44Å; L45-I77 HydrophobicContact CD1-CG2 4.03Å; L45-I77 HydrophobicContact CD2-CG2 3.96Å; L45-I77 HydrophobicContact CG-CG2 4.38Å; M75-I77 HydrophobicContact CB-CD1 4.17Å; M75-I77 HydrophobicContact CB-CG1 3.99Å; M75-I77 HydrophobicContact CB-CG2 4.46Å; M75-I77 PolarHBondContact O-N 3.27Å; M75-I77 VanDerWaalsContact O-N 3.15Å; M75-I77 HydrophobicContact SD-CD1 4.27Å; I77-S79 VanDerWaalsContact CD1-O 3.31Å; I77-S79 WeakPolarHBondContact CD1-O 3.4Å; I77-S79 VanDerWaalsContact CG1-O 3.32Å; I77-S79 WeakPolarHBondContact CG1-O 3.48Å; I77-S79 PolarHBondContact O-N 2.95Å; I77-S79 VanDerWaalsContact O-N 3.15Å; I77-C81 HydrophobicContact CD1-CB 4.1Å
78R78.9Confident88.1Confident267 Ų26789.3 Ų89.3100%1.00847%0.466SS*.SBendtrans-58.2-27.5-177.5-76.4-177.6173.9163.2-0.8114
79S83.1Confident87.7Confident95 Ų9586.9 Ų86.966%0.66446%0.455SS*.SBendtrans-139.9139.2171.950.30000108.7I77 C81I77-S79 VanDerWaalsContact CD1-O 3.31Å; I77-S79 WeakPolarHBondContact CD1-O 3.4Å; I77-S79 VanDerWaalsContact CG1-O 3.32Å; I77-S79 WeakPolarHBondContact CG1-O 3.48Å; I77-S79 PolarHBondContact O-N 2.95Å; I77-S79 VanDerWaalsContact O-N 3.15Å; S79-C81 PolarHBondContact O-N 3.44Å
80S83.4Confident87.5Confident92 Ų9284.1 Ų84.164%0.64343%0.425SS*.  trans-69.2122.7-178.248.60000110.9N82S80-N82 PolarHBondContact O-N 2.9Å
81C87.4Confident87.4Confident25 Ų2589.3 Ų89.317%0.16945%0.448CS..  trans-65.9131.6175.2-172.30000110.1H64 I77 S79 R83 C84H64-C81 VanDerWaalsContact CE1-CB 3.42Å; H64-C81 WeakPolarHBondContact CE1-CB 3.07Å; H64-C81 VanDerWaalsContact CE1-SG 3.53Å; I77-C81 HydrophobicContact CD1-CB 4.1Å; S79-C81 PolarHBondContact O-N 3.44Å; C81-R83 VanDerWaalsContact C-N 3.35Å; C81-R83 PolarHBondContact SG-N 3.46Å; C81-C84 HydrophobicContact CB-CB 4.01Å
82N85.2Confident87.5Confident123 Ų12391.2 Ų91.266%0.65846%0.458SS*.SBendtrans-74.9-22.8176.1-77.4-46.8000113.5S80 K85S80-N82 PolarHBondContact O-N 2.9Å; N82-K85 PolarHBondContact OD1-NZ 3.3Å
83R82.7Confident87.8Confident108 Ų10889.2 Ų89.241%0.40844%0.436SS..SBendtrans-83.8-42.1178.6-63.2-168.5-177.8-154.911.4112.3E61 C81 K85E61-R83 VanDerWaalsContact CD-CZ 3.45Å; E61-R83 VanDerWaalsContact CD-NH1 3.33Å; E61-R83 IonicContact OE1-CZ 2.64Å; E61-R83 IonicContact OE1-NH1 2.78Å; E61-R83 PolarHBondContact OE1-NH1 2.95Å; E61-R83 IonicContact OE1-NH2 2.92Å; E61-R83 PolarHBondContact OE1-NH2 3.21Å; E61-R83 IonicContact OE2-CZ 2.68Å; E61-R83 IonicContact OE2-NH1 3.68Å; E61-R83 IonicContact OE2-NH2 3.91Å; E61-R83 PolarHBondContact OE2-NH2 2.89Å; C81-R83 VanDerWaalsContact C-N 3.35Å; C81-R83 PolarHBondContact SG-N 3.46Å; R83-K85 PolarHBondContact O-N 3.41Å
84C86.1Confident87.9Confident6 Ų692.6 Ų92.64%0.04145%0.449CS..THydrogen-bonded Turntrans-78.925-179.2-510000114.5H64 M75 C81 F90H64-C84 PolarHBondContact ND1-SG 3.2Å; M75-C84 HydrophobicContact CE-CB 4.01Å; M75-C84 HydrophobicContact SD-CB 4.25Å; C81-C84 HydrophobicContact CB-CB 4.01Å; C84-F90 HydrophobicContact CB-CE2 4.12Å; C84-F90 HydrophobicContact CB-CZ 3.97Å
85K84.4Confident88.1Confident131 Ų13186.3 Ų86.357%0.5742%0.423SS*.THydrogen-bonded Turntrans-81.2-29.4172.4-75.5174173.1171.60112.1N82 R83N82-K85 PolarHBondContact OD1-NZ 3.3Å; R83-K85 PolarHBondContact O-N 3.41Å
86D85.5Confident88.3Confident88 Ų8885.2 Ų85.247%0.47142%0.417SS..  trans-96.1118.6176.8-171.9-12.8000109.4S88 C89D86-S88 VanDerWaalsContact OD1-CB 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 3.36Å; D86-S88 PolarHBondContact OD1-N 2.74Å; D86-S88 PolarHBondContact OD1-OG 3.45Å; D86-S88 PolarHBondContact OD2-OG 3.02Å; D86-S88 VanDerWaalsContact OD2-OG 3.1Å; D86-C89 PolarHBondContact O-SG 3.09Å
87Y86.2Confident88.6Confident59 Ų5980.7 Ų80.723%0.23140%0.404CS..SBendtrans-87-8.3178.9-66.3-82.6000113.3K71 Q73 M75 C89 F90K71-Y87 WeakPolarHBondContact CE-O 3.43Å; K71-Y87 HydrophobicContact CG-CD1 4.35Å; K71-Y87 PolarHBondContact NZ-O 3.4Å; Q73-Y87 PolarHBondContact O-OH 2.99Å; M75-Y87 HydrophobicContact CE-CE1 3.68Å; Y87-C89 VanDerWaalsContact C-N 3.25Å; Y87-C89 PolarHBondContact O-N 3.17Å; Y87-F90 HydrophobicContact CD1-CD2 4.28Å; Y87-F90 HydrophobicContact CD1-CE2 4.31Å; Y87-F90 PolarHBondContact O-N 2.76Å
88S87.4Confident89.1Confident94 Ų9484.2 Ų84.266%0.65742%0.423SS*.THydrogen-bonded Turntrans-64.8-32.5172.571.90000111.5D86 F90D86-S88 VanDerWaalsContact OD1-CB 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 3.36Å; D86-S88 PolarHBondContact OD1-N 2.74Å; D86-S88 PolarHBondContact OD1-OG 3.45Å; D86-S88 PolarHBondContact OD2-OG 3.02Å; D86-S88 VanDerWaalsContact OD2-OG 3.1Å; S88-F90 PolarHBondContact O-N 2.64Å
89C87.3Confident90Very high22 Ų2272 Ų7215%0.14938%0.377CS..THydrogen-bonded Turntrans-75.41.3178.979.70000114.9P57 T58 D86 Y87P57-C89 CarbonylContact C-O 3.59Å; P57-C89 WeakPolarHBondContact CA-O 3.46Å; T58-C89 WeakPolarHBondContact CG2-O 3.38Å; T58-C89 PolarHBondContact N-O 3.2Å; T58-C89 PolarHBondContact OG1-O 2.93Å; D86-C89 PolarHBondContact O-SG 3.09Å; Y87-C89 VanDerWaalsContact C-N 3.25Å; Y87-C89 PolarHBondContact O-N 3.17Å
90F92.8Very high90.7Very high7 Ų767.9 Ų67.93%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-90.8121179.3-82.3-108.4000112.3I55 S56 P57 V66 K71 M75 C84 Y87 S88I55-F90 HydrophobicContact CB-CB 4.49Å; I55-F90 HydrophobicContact CB-CD1 4.44Å; I55-F90 HydrophobicContact CD1-CB 4.09Å; I55-F90 HydrophobicContact CD1-CD1 4.18Å; I55-F90 HydrophobicContact CG1-CD1 4.1Å; S56-F90 WeakPolarHBondContact O-CA 3.11Å; P57-F90 HydrophobicContact CB-CD2 4.33Å; P57-F90 HydrophobicContact CB-CE2 4.03Å; P57-F90 HydrophobicContact CB-CZ 4.13Å; P57-F90 HydrophobicContact CG-CE1 4.47Å; P57-F90 HydrophobicContact CG-CZ 4.21Å; V66-F90 HydrophobicContact CG2-CD1 4.12Å; V66-F90 HydrophobicContact CG2-CE1 4.01Å; K71-F90 PolarHBondContact NZ-O 2.77Å; M75-F90 HydrophobicContact CE-CE1 4.42Å; M75-F90 HydrophobicContact CE-CZ 3.82Å; C84-F90 HydrophobicContact CB-CE2 4.12Å; C84-F90 HydrophobicContact CB-CZ 3.97Å; Y87-F90 HydrophobicContact CD1-CD2 4.28Å; Y87-F90 HydrophobicContact CD1-CE2 4.31Å; Y87-F90 PolarHBondContact O-N 2.76Å; S88-F90 PolarHBondContact O-N 2.64Å
91Q93.8Very high91.3Very high121 Ų12167.5 Ų67.557%0.56534%0.337SS*.EExtended strand (participates in β ladder)trans-123.5150.9178.3-171.9176.73300110.4I55 S56 T58I55-Q91 CarbonylContact C-O 3.36Å; I55-Q91 WeakPolarHBondContact CA-O 3.43Å; S56-Q91 PolarHBondContact N-O 3.11Å; S56-Q91 PolarHBondContact O-N 3.07Å; S56-Q91 VanDerWaalsContact O-O 3.12Å; T58-Q91 HydrophobicContact CG2-CB 4.5Å
92E95.4Very high91.8Very high130 Ų13068.2 Ų68.261%0.60734%0.341SS*.EExtended strand (participates in β ladder)trans-51143.6169.7-70.3154.4-136.200112.3I55I55-E92 HydrophobicContact CG2-CG 4.2Å
93N94.4Very high92.4Very high6 Ų662.4 Ų62.43%0.03231%0.31CS..  trans-128.392.9179.5-169.2-4.1000111.6M1 P54 S56 Q95 L96 S97M1-N93 PolarHBondContact O-ND2 3.5Å; M1-N93 PolarHBondContact O-OD1 3.44Å; P54-N93 PolarHBondContact O-N 3.31Å; S56-N93 WeakPolarHBondContact OG-CB 3.34Å; S56-N93 PolarHBondContact OG-ND2 3.34Å; N93-Q95 PolarHBondContact O-N 3.02Å; N93-Q95 PolarHBondContact OD1-N 2.8Å; N93-L96 HydrophobicContact CB-CB 4.26Å; N93-L96 HydrophobicContact CB-CD1 4Å; N93-L96 HydrophobicContact CB-CG 4.26Å; N93-L96 WeakPolarHBondContact O-CA 3.47Å; N93-L96 WeakPolarHBondContact O-CB 3.49Å; N93-L96 PolarHBondContact O-N 3.42Å; N93-S97 PolarHBondContact O-N 3Å; N93-S97 VanDerWaalsContact O-N 3.14Å; N93-S97 PolarHBondContact O-OG 3.01Å
94K94.4Very high93.1Very high166 Ų16659.6 Ų59.672%0.72230%0.3SS*.Hα-helixtrans-52.5-29.8179.4-58-169.3177.8-168.20113.8S97 L98K94-S97 PolarHBondContact O-N 3.26Å; K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.18Å
95Q94.6Very high93.6Very high59 Ų5966.3 Ų66.328%0.27632%0.324SS..Hα-helixtrans-71.5-32.1175.6-168.1-178.8-23.300112.4N2 P3 T7 N93 L99N2-Q95 PolarHBondContact OD1-NE2 3.35Å; P3-Q95 HydrophobicContact CG-CB 4.46Å; P3-Q95 HydrophobicContact CG-CG 4.13Å; T7-Q95 PolarHBondContact OG1-NE2 3.09Å; N93-Q95 PolarHBondContact O-N 3.02Å; N93-Q95 PolarHBondContact OD1-N 2.8Å; Q95-L99 HydrophobicContact CG-CD1 4.47Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.49Å; Q95-L99 PolarHBondContact O-N 2.99Å
96L95.4Very high94.2Very high0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-70.9-39.1170.1-74.1171.9000111.2P3 L42 P54 Y65 N93 L98 L99 V100P3-L96 HydrophobicContact CB-CD2 3.67Å; P3-L96 HydrophobicContact CB-CG 4.24Å; P3-L96 HydrophobicContact CG-CD2 3.72Å; P3-L96 HydrophobicContact CG-CG 4Å; L42-L96 HydrophobicContact CD2-CD2 3.97Å; P54-L96 HydrophobicContact CB-CB 3.57Å; P54-L96 HydrophobicContact CB-CD1 4.12Å; P54-L96 HydrophobicContact CB-CG 4.49Å; P54-L96 HydrophobicContact CG-CB 3.69Å; Y65-L96 HydrophobicContact CD1-CD1 3.44Å; Y65-L96 VanDerWaalsContact CD1-CD1 3.44Å; Y65-L96 HydrophobicContact CD2-CD1 4Å; Y65-L96 HydrophobicContact CD2-CD2 3.93Å; Y65-L96 HydrophobicContact CE1-CD1 3.81Å; Y65-L96 HydrophobicContact CE2-CD1 4.32Å; Y65-L96 HydrophobicContact CE2-CD2 3.85Å; Y65-L96 HydrophobicContact CG-CD1 3.55Å; Y65-L96 HydrophobicContact CG-CD2 4.35Å; N93-L96 HydrophobicContact CB-CB 4.26Å; N93-L96 HydrophobicContact CB-CD1 4Å; N93-L96 HydrophobicContact CB-CG 4.26Å; N93-L96 WeakPolarHBondContact O-CA 3.47Å; N93-L96 WeakPolarHBondContact O-CB 3.49Å; N93-L96 PolarHBondContact O-N 3.42Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.2Å; L96-L99 HydrophobicContact CD2-CD1 4.5Å; L96-L99 PolarHBondContact O-N 3.06Å; L96-V100 WeakPolarHBondContact O-CG2 3.13Å; L96-V100 PolarHBondContact O-N 3.45Å
97S96.2Very high94.8Very high53 Ų5356.6 Ų56.637%0.37128%0.278SS..Hα-helixtrans-58.1-44.7174.5-45.70000111.2P54 N93 K94 V100 Q101P54-S97 WeakPolarHBondContact CG-OG 3.42Å; N93-S97 PolarHBondContact O-N 3Å; N93-S97 VanDerWaalsContact O-N 3.14Å; N93-S97 PolarHBondContact O-OG 3.01Å; K94-S97 PolarHBondContact O-N 3.26Å; S97-V100 PolarHBondContact O-N 3.43Å; S97-Q101 PolarHBondContact O-N 3.47Å
98L97Very high95.3Very high116 Ų11654.4 Ų54.461%0.60727%0.271SS*.Hα-helixtrans-62.5-44.8174-71.3169.7000112.1K94 L96 V100 Q101 C102K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.18Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.2Å; L98-V100 PolarHBondContact O-N 3.47Å; L98-Q101 PolarHBondContact O-N 3.24Å; L98-C102 WeakPolarHBondContact O-CB 3.45Å; L98-C102 PolarHBondContact O-N 3.49Å; L98-C102 PolarHBondContact O-SG 3.42Å
99L97.4Very high95.7Very high10 Ų1055.3 Ų55.35%0.05226%0.26CS..Hα-helixtrans-65.6-35.7178.5-72.9165.7000113.2P3 A6 Y10 L42 Q95 L96 C102 Y103P3-L99 HydrophobicContact CB-CD1 4.41Å; P3-L99 HydrophobicContact CG-CD1 3.55Å; A6-L99 HydrophobicContact CB-CD1 4.06Å; Y10-L99 HydrophobicContact CD1-CD2 4.12Å; Y10-L99 HydrophobicContact CG-CD2 3.98Å; L42-L99 HydrophobicContact CD1-CB 4.25Å; L42-L99 WeakPolarHBondContact CD1-O 3.26Å; L42-L99 HydrophobicContact CD2-CB 3.81Å; Q95-L99 HydrophobicContact CG-CD1 4.47Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.49Å; Q95-L99 PolarHBondContact O-N 2.99Å; L96-L99 HydrophobicContact CD2-CD1 4.5Å; L96-L99 PolarHBondContact O-N 3.06Å; L99-C102 PolarHBondContact O-N 3.38Å; L99-Y103 WeakPolarHBondContact O-CB 3.43Å; L99-Y103 PolarHBondContact O-N 3.38Å
100V97.3Very high96.1Very high10 Ų1054.3 Ų54.36%0.06125%0.253CS..Hα-helixtrans-60.9-45.4170.9166.60000110.6L42 L50 L51 L96 S97 L98 Y103 R104L42-V100 HydrophobicContact CB-CG2 4.47Å; L50-V100 HydrophobicContact CD1-CG2 4.43Å; L50-V100 HydrophobicContact CD2-CG1 3.97Å; L50-V100 HydrophobicContact CG-CG1 4.05Å; L51-V100 HydrophobicContact CB-CG2 3.87Å; L96-V100 WeakPolarHBondContact O-CG2 3.13Å; L96-V100 PolarHBondContact O-N 3.45Å; S97-V100 PolarHBondContact O-N 3.43Å; L98-V100 PolarHBondContact O-N 3.47Å; V100-Y103 WeakPolarHBondContact O-CB 3.49Å; V100-Y103 PolarHBondContact O-N 2.73Å; V100-R104 WeakPolarHBondContact O-CG 3.4Å; V100-R104 PolarHBondContact O-N 3.11Å
101Q96.8Very high96.2Very high84 Ų8454.6 Ų54.639%0.39326%0.256SS..Hα-helixtrans-69.3-36.2178.5-169.166.1-17.600112.4S97 L98 R104 R105S97-Q101 PolarHBondContact O-N 3.47Å; L98-Q101 PolarHBondContact O-N 3.24Å; Q101-R104 PolarHBondContact O-N 2.89Å; Q101-R105 WeakPolarHBondContact O-CB 3.27Å; Q101-R105 WeakPolarHBondContact O-CG 3.36Å; Q101-R105 PolarHBondContact O-N 3Å
102C97.6Very high96.2Very high40 Ų4056.2 Ų56.227%0.2726%0.263SS..Hα-helixtrans-62.9-40.1170.9-69.90000112.1Y10 L98 L99 L106Y10-C102 HydrophobicContact CD2-CB 3.99Å; Y10-C102 HydrophobicContact CE2-CB 3.56Å; L98-C102 WeakPolarHBondContact O-CB 3.45Å; L98-C102 PolarHBondContact O-N 3.49Å; L98-C102 PolarHBondContact O-SG 3.42Å; L99-C102 PolarHBondContact O-N 3.38Å; C102-L106 VanDerWaalsContact O-CB 3.28Å; C102-L106 WeakPolarHBondContact O-CB 3.35Å; C102-L106 PolarHBondContact O-N 3.38Å
103Y97.9Very high96.1Very high0 Ų050.9 Ų50.90%024%0.24CC..Hα-helixtrans-62.6-49.3173.5170.5-103000111.7L35 F38 R39 L42 L50 L99 V100 R105 L106 C107 V136L35-Y103 HydrophobicContact CD1-CE2 4.27Å; F38-Y103 AromaticContact CD1-CD2 3.8Å; F38-Y103 HydrophobicContact CD1-CD2 3.8Å; F38-Y103 AromaticContact CE1-CD2 3.81Å; F38-Y103 HydrophobicContact CE1-CD2 3.81Å; F38-Y103 HydrophobicContact CE1-CG 4.24Å; R39-Y103 HydrophobicContact CB-CE2 3.96Å; R39-Y103 HydrophobicContact CG-CE1 4.4Å; R39-Y103 HydrophobicContact CG-CE2 4.34Å; R39-Y103 WeakPolarHBondContact CG-OH 3.46Å; L42-Y103 HydrophobicContact CD1-CG 4.32Å; L50-Y103 HydrophobicContact CD1-CD1 3.63Å; L50-Y103 HydrophobicContact CD1-CE1 3.88Å; L50-Y103 HydrophobicContact CD2-CD1 3.87Å; L50-Y103 HydrophobicContact CD2-CE1 4.05Å; L50-Y103 HydrophobicContact CG-CD1 4.44Å; L99-Y103 WeakPolarHBondContact O-CB 3.43Å; L99-Y103 PolarHBondContact O-N 3.38Å; V100-Y103 WeakPolarHBondContact O-CB 3.49Å; V100-Y103 PolarHBondContact O-N 2.73Å; Y103-R105 PolarHBondContact O-N 3.41Å; Y103-L106 PolarHBondContact O-N 2.97Å; Y103-C107 VanDerWaalsContact CE2-SG 3.59Å; Y103-C107 PolarHBondContact O-N 2.86Å; Y103-V136 HydrophobicContact CD1-CG2 4.47Å; Y103-V136 HydrophobicContact CE1-CG2 3.81Å
104R96.8Very high95.9Very high50 Ų5054.7 Ų54.719%0.18927%0.265CS..Hα-helixtrans-56-49.1175.4-72.9171.3164.6-159.6-5.7111.6L50 V100 Q101 L106 C107 L108 V136 E143L50-R104 HydrophobicContact CD2-CG 4.08Å; V100-R104 WeakPolarHBondContact O-CG 3.4Å; V100-R104 PolarHBondContact O-N 3.11Å; Q101-R104 PolarHBondContact O-N 2.89Å; R104-L106 PolarHBondContact O-N 2.93Å; R104-C107 PolarHBondContact O-N 3.04Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.49Å; R104-V136 HydrophobicContact CB-CG1 4.15Å; R104-V136 HydrophobicContact CG-CG1 4.28Å; R104-E143 IonicContact CZ-OE1 2.77Å; R104-E143 IonicContact CZ-OE2 3.63Å; R104-E143 IonicContact NH1-OE1 2.64Å; R104-E143 PolarHBondContact NH1-OE1 3.21Å; R104-E143 IonicContact NH1-OE2 3.64Å; R104-E143 PolarHBondContact NH1-OE2 2.86Å; R104-E143 IonicContact NH2-OE1 3.03Å; R104-E143 PolarHBondContact NH2-OE1 3.34Å; R104-E143 IonicContact NH2-OE2 2.76Å
105R97.3Very high95.8Very high146 Ų14647 Ų4755%0.55123%0.232SC*.Hα-helixtrans-64.3-35.5177.8-72.6-65.2-171-152.41.2113.1Q101 Y103 L108 Y109Q101-R105 WeakPolarHBondContact O-CB 3.27Å; Q101-R105 WeakPolarHBondContact O-CG 3.36Å; Q101-R105 PolarHBondContact O-N 3Å; Y103-R105 PolarHBondContact O-N 3.41Å; R105-L108 PolarHBondContact O-N 3.5Å; R105-Y109 PolarHBondContact O-N 3.35Å
106L97.2Very high95.8Very high14 Ų1446.7 Ų46.77%0.07323%0.232CC..Hα-helixtrans-66.5-41.9174.5-174.164.7000111.8A13 T14 V17 L35 F38 C102 Y103 R104 Y109 I110A13-L106 HydrophobicContact CB-CD2 4.32Å; T14-L106 HydrophobicContact CG2-CD1 4.23Å; V17-L106 HydrophobicContact CB-CD1 3.99Å; V17-L106 HydrophobicContact CG1-CD1 3.9Å; V17-L106 HydrophobicContact CG2-CD1 4.01Å; V17-L106 HydrophobicContact CG2-CD2 4.18Å; V17-L106 HydrophobicContact CG2-CG 4.16Å; L35-L106 HydrophobicContact CD1-CD2 4Å; F38-L106 HydrophobicContact CE1-CD2 4.43Å; C102-L106 VanDerWaalsContact O-CB 3.28Å; C102-L106 WeakPolarHBondContact O-CB 3.35Å; C102-L106 PolarHBondContact O-N 3.38Å; Y103-L106 PolarHBondContact O-N 2.97Å; R104-L106 PolarHBondContact O-N 2.93Å; L106-Y109 PolarHBondContact O-N 2.94Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.18Å; L106-I110 VanDerWaalsContact O-N 3.1Å
107C97Very high95.5Very high1 Ų154.5 Ų54.51%0.00727%0.266CS..Hα-helixtrans-63.9-42.9173.7-72.90000112.2Y103 R104 Y109 I110 T111 L133 V136Y103-C107 VanDerWaalsContact CE2-SG 3.59Å; Y103-C107 PolarHBondContact O-N 2.86Å; R104-C107 PolarHBondContact O-N 3.04Å; C107-Y109 PolarHBondContact O-N 2.94Å; C107-I110 WeakPolarHBondContact O-CB 3.22Å; C107-I110 PolarHBondContact O-N 3.19Å; C107-I110 VanDerWaalsContact O-N 3.17Å; C107-T111 PolarHBondContact O-N 3.21Å; C107-T111 PolarHBondContact O-OG1 3.33Å; C107-L133 HydrophobicContact CB-CD2 3.76Å; C107-V136 HydrophobicContact CB-CB 4.01Å; C107-V136 HydrophobicContact CB-CG1 3.96Å; C107-V136 HydrophobicContact CB-CG2 3.89Å
108L96.3Very high95.2Very high13 Ų1353.2 Ų53.27%0.06826%0.257CS..Hα-helixtrans-63-39.8175.3-69.4166.5000112.5R104 R105 I110 T111 H112 V136 L137R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.49Å; R105-L108 PolarHBondContact O-N 3.5Å; L108-I110 VanDerWaalsContact C-N 3.32Å; L108-I110 PolarHBondContact O-N 2.97Å; L108-T111 WeakPolarHBondContact CA-OG1 3.24Å; L108-T111 PolarHBondContact O-N 3.37Å; L108-T111 PolarHBondContact O-OG1 2.94Å; L108-H112 PolarHBondContact O-CD2 3.34Å; L108-H112 PolarHBondContact O-N 3.47Å; L108-V136 HydrophobicContact CD2-CG1 4.45Å; L108-V136 HydrophobicContact CG-CG1 4.15Å; L108-L137 HydrophobicContact CD2-CD2 4.07Å
109Y96.3Very high95Very high114 Ų11447.8 Ų47.845%0.44723%0.229SC..Hα-helixtrans-57.3-46.6171.8170.8-92.7000111.2V17 L18 R105 L106 C107 T111 H112 S113 L115V17-Y109 HydrophobicContact CG1-CD1 3.79Å; V17-Y109 HydrophobicContact CG1-CE1 3.78Å; L18-Y109 HydrophobicContact CD2-CE1 4.1Å; R105-Y109 PolarHBondContact O-N 3.35Å; L106-Y109 PolarHBondContact O-N 2.94Å; C107-Y109 PolarHBondContact O-N 2.94Å; Y109-T111 PolarHBondContact O-N 2.89Å; Y109-H112 PolarHBondContact O-N 3Å; Y109-S113 WeakPolarHBondContact O-CB 3.36Å; Y109-S113 PolarHBondContact O-N 2.8Å; Y109-S113 PolarHBondContact O-OG 3.36Å; Y109-L115 HydrophobicContact CE1-CD1 4.33Å
110I95.8Very high94.6Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-59.4-47177.6-64.2162.5000110.8V17 M31 L35 L106 C107 L108 H112 S113 I119 L133V17-I110 HydrophobicContact CG1-CD1 4.18Å; V17-I110 HydrophobicContact CG1-CG1 3.69Å; V17-I110 HydrophobicContact CG2-CD1 3.77Å; V17-I110 HydrophobicContact CG2-CG1 4.23Å; M31-I110 HydrophobicContact SD-CD1 4.32Å; L35-I110 HydrophobicContact CD2-CD1 3.85Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.18Å; L106-I110 VanDerWaalsContact O-N 3.1Å; C107-I110 WeakPolarHBondContact O-CB 3.22Å; C107-I110 PolarHBondContact O-N 3.19Å; C107-I110 VanDerWaalsContact O-N 3.17Å; L108-I110 VanDerWaalsContact C-N 3.32Å; L108-I110 PolarHBondContact O-N 2.97Å; I110-H112 PolarHBondContact O-N 2.87Å; I110-S113 PolarHBondContact O-N 2.89Å; I110-S113 PolarHBondContact O-OG 3.14Å; I110-I119 HydrophobicContact CG2-CD1 3.25Å; I110-L133 HydrophobicContact CB-CD1 4.5Å; I110-L133 HydrophobicContact CB-CD2 4.01Å; I110-L133 HydrophobicContact CD1-CD2 4.16Å; I110-L133 HydrophobicContact CG2-CD1 3.69Å; I110-L133 HydrophobicContact CG2-CD2 4.03Å
111T95.1Very high94.1Very high14 Ų1452.1 Ų52.19%0.08626%0.26CS..Hα-helixtrans-68.9-31.2-177.552.40000114.1C107 L108 Y109 L116 L133 L137C107-T111 PolarHBondContact O-N 3.21Å; C107-T111 PolarHBondContact O-OG1 3.33Å; L108-T111 WeakPolarHBondContact CA-OG1 3.24Å; L108-T111 PolarHBondContact O-N 3.37Å; L108-T111 PolarHBondContact O-OG1 2.94Å; Y109-T111 PolarHBondContact O-N 2.89Å; T111-L116 HydrophobicContact CG2-CD1 4.39Å; T111-L116 VanDerWaalsContact O-CD2 3.32Å; T111-L116 WeakPolarHBondContact O-CD2 3.36Å; T111-L133 HydrophobicContact CG2-CB 3.76Å; T111-L133 HydrophobicContact CG2-CD1 4.02Å; T111-L133 HydrophobicContact CG2-CD2 4.18Å; T111-L133 HydrophobicContact CG2-CG 4.18Å; T111-L137 HydrophobicContact CG2-CD1 3.91Å; T111-L137 HydrophobicContact CG2-CD2 4.31Å; T111-L137 HydrophobicContact CG2-CG 4.19Å
112H93.3Very high92.7Very high155 Ų15557.9 Ų57.972%0.71829%0.286SS*.Hα-helixtrans-87.5-14.9176.7-64.3-57.4000113.5L108 Y109 I110L108-H112 PolarHBondContact O-CD2 3.34Å; L108-H112 PolarHBondContact O-N 3.47Å; Y109-H112 PolarHBondContact O-N 3Å; I110-H112 PolarHBondContact O-N 2.87Å
113S93.5Very high91.7Very high18 Ų1862.2 Ų62.213%0.12631%0.311CS..SBendtrans-82.6162.3176.375.50000113.1Y109 I110 L115 L116Y109-S113 WeakPolarHBondContact O-CB 3.36Å; Y109-S113 PolarHBondContact O-N 2.8Å; Y109-S113 PolarHBondContact O-OG 3.36Å; I110-S113 PolarHBondContact O-N 2.89Å; I110-S113 PolarHBondContact O-OG 3.14Å; S113-L115 PolarHBondContact O-N 3.04Å; S113-L115 VanDerWaalsContact OG-CB 3.24Å; S113-L115 WeakPolarHBondContact OG-CB 3.41Å; S113-L115 VanDerWaalsContact OG-CG 3.3Å; S113-L115 WeakPolarHBondContact OG-CG 3.22Å; S113-L115 PolarHBondContact OG-N 2.84Å; S113-L116 PolarHBondContact O-N 3.34Å
114P92Very high90.6Very high85 Ų8564.3 Ų64.355%0.55233%0.333SS*.THydrogen-bonded Turntrans-57.5-18.6171.2-25.435.3000114.5P22 L116 K117P22-P114 HydrophobicContact CB-CB 4.34Å; P22-P114 HydrophobicContact CG-CB 3.96Å; P114-L116 PolarHBondContact O-N 3.26Å; P114-K117 PolarHBondContact O-N 3.46Å
115L92.3Very high90Very high4 Ų463.1 Ų63.12%0.02134%0.336CS..Hα-helixtrans-56.2-35.3178.7-57.9174.9000112.2V17 C20 P22 F28 Y109 S113 K117 S118 I119V17-L115 HydrophobicContact CG1-CD1 4.35Å; C20-L115 HydrophobicContact CB-CD1 4.2Å; C20-L115 HydrophobicContact CB-CD2 3.56Å; P22-L115 HydrophobicContact CG-CD2 3.94Å; F28-L115 HydrophobicContact CE1-CB 4.02Å; F28-L115 HydrophobicContact CE1-CD2 3.82Å; F28-L115 HydrophobicContact CE2-CD2 4.46Å; F28-L115 HydrophobicContact CZ-CB 4.35Å; F28-L115 HydrophobicContact CZ-CD2 3.52Å; Y109-L115 HydrophobicContact CE1-CD1 4.33Å; S113-L115 PolarHBondContact O-N 3.04Å; S113-L115 VanDerWaalsContact OG-CB 3.24Å; S113-L115 WeakPolarHBondContact OG-CB 3.41Å; S113-L115 VanDerWaalsContact OG-CG 3.3Å; S113-L115 WeakPolarHBondContact OG-CG 3.22Å; S113-L115 PolarHBondContact OG-N 2.84Å; L115-K117 PolarHBondContact O-N 2.89Å; L115-K117 VanDerWaalsContact O-N 3.12Å; L115-S118 PolarHBondContact O-N 3.29Å; L115-I119 HydrophobicContact CB-CD1 4.25Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.27Å; L115-I119 PolarHBondContact O-N 2.93Å; L115-I119 VanDerWaalsContact O-N 3.08Å
116L93.6Very high89.6Confident53 Ų5356.9 Ų56.928%0.27732%0.315SS..Hα-helixtrans-53-38.1-178.5-177.762.1000112.3T111 S113 P114 S118 I119 S120 M130 L133T111-L116 HydrophobicContact CG2-CD1 4.39Å; T111-L116 VanDerWaalsContact O-CD2 3.32Å; T111-L116 WeakPolarHBondContact O-CD2 3.36Å; S113-L116 PolarHBondContact O-N 3.34Å; P114-L116 PolarHBondContact O-N 3.26Å; L116-S118 PolarHBondContact O-N 3.47Å; L116-I119 PolarHBondContact O-N 2.91Å; L116-S120 WeakPolarHBondContact O-CB 3.25Å; L116-S120 PolarHBondContact O-N 3.07Å; L116-S120 PolarHBondContact O-OG 3.14Å; L116-M130 HydrophobicContact CD1-CE 4.07Å; L116-M130 HydrophobicContact CD1-SD 3.96Å; L116-L133 HydrophobicContact CD1-CD1 4.04Å
117K89.9Confident89.3Confident165 Ų16561.2 Ų61.272%0.71734%0.344SS*.Hα-helixtrans-59.9-49.4178.7-63.4-178.4-179.9179.60111P114 L115 I119 S120 S121P114-K117 PolarHBondContact O-N 3.46Å; L115-K117 PolarHBondContact O-N 2.89Å; L115-K117 VanDerWaalsContact O-N 3.12Å; K117-I119 VanDerWaalsContact C-N 3.27Å; K117-I119 PolarHBondContact O-N 2.89Å; K117-S120 PolarHBondContact O-N 3.11Å; K117-S120 PolarHBondContact O-OG 2.93Å; K117-S121 PolarHBondContact O-N 3.44Å; K117-S121 VanDerWaalsContact O-N 3.17Å
118S90Very high89.1Confident26 Ų2666.7 Ų66.718%0.18237%0.369CS..Hα-helixtrans-73.4-13.6179.7-47.40000114.2P22 F28 Y32 L115 L116 S121P22-S118 PolarHBondContact O-OG 2.98Å; P22-S118 VanDerWaalsContact O-OG 3.1Å; F28-S118 VanDerWaalsContact CZ-CB 3.48Å; Y32-S118 PolarHBondContact OH-O 2.7Å; L115-S118 PolarHBondContact O-N 3.29Å; L116-S118 PolarHBondContact O-N 3.47Å; S118-S121 PolarHBondContact O-OG 3.45Å; S118-S121 VanDerWaalsContact O-OG 3.12Å
119I91.3Very high89Confident2 Ų266 Ų661%0.0137%0.366CS..Hα-helixtrans-88.5-36.3172-57.5165.8000110.7F28 M31 Y32 I110 L115 L116 K117 S121 G125 S126 V129 M130 L133F28-I119 HydrophobicContact CD1-CG1 3.92Å; F28-I119 HydrophobicContact CE1-CD1 4.34Å; F28-I119 HydrophobicContact CE1-CG1 3.78Å; M31-I119 HydrophobicContact CE-CD1 3.7Å; M31-I119 HydrophobicContact CE-CG1 3.99Å; Y32-I119 HydrophobicContact CE1-CG1 4.08Å; Y32-I119 HydrophobicContact CE1-CG2 4.12Å; I110-I119 HydrophobicContact CG2-CD1 3.25Å; L115-I119 HydrophobicContact CB-CD1 4.25Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.27Å; L115-I119 PolarHBondContact O-N 2.93Å; L115-I119 VanDerWaalsContact O-N 3.08Å; L116-I119 PolarHBondContact O-N 2.91Å; K117-I119 VanDerWaalsContact C-N 3.27Å; K117-I119 PolarHBondContact O-N 2.89Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-G125 WeakPolarHBondContact O-CA 3.41Å; I119-S126 PolarHBondContact O-N 3.11Å; I119-V129 HydrophobicContact CG2-CB 4.45Å; I119-V129 HydrophobicContact CG2-CG1 3.97Å; I119-M130 HydrophobicContact CB-SD 4.22Å; I119-M130 HydrophobicContact CG2-CG 3.99Å; I119-M130 HydrophobicContact CG2-SD 3.64Å; I119-L133 HydrophobicContact CD1-CD1 4.37Å
120S89.9Confident88.9Confident64 Ų6462.4 Ų62.445%0.44835%0.354SS..Hα-helixtrans-75.8-14.7177.671.10000114.3L116 K117 H122L116-S120 WeakPolarHBondContact O-CB 3.25Å; L116-S120 PolarHBondContact O-N 3.07Å; L116-S120 PolarHBondContact O-OG 3.14Å; K117-S120 PolarHBondContact O-N 3.11Å; K117-S120 PolarHBondContact O-OG 2.93Å; S120-H122 PolarHBondContact O-N 3.15Å
121S85.8Confident88.9Confident46 Ų4666.1 Ų66.132%0.32238%0.377SS..  trans-70.7129.7-17555.60000112.5K117 S118 I119 V123 G125K117-S121 PolarHBondContact O-N 3.44Å; K117-S121 VanDerWaalsContact O-N 3.17Å; S118-S121 PolarHBondContact O-OG 3.45Å; S118-S121 VanDerWaalsContact O-OG 3.12Å; I119-S121 VanDerWaalsContact C-N 3.32Å; S121-V123 WeakPolarHBondContact CB-O 3.48Å; S121-V123 CarbonylContact O-C 3.48Å; S121-V123 PolarHBondContact O-N 2.92Å; S121-V123 PolarHBondContact OG-O 3.4Å; S121-G125 VanDerWaalsContact O-CA 3.25Å; S121-G125 WeakPolarHBondContact O-CA 3Å; S121-G125 PolarHBondContact O-N 3.44Å
122H68.8Low88.9Confident205 Ų20566.4 Ų66.495%0.94938%0.378SS*.THydrogen-bonded Turntrans-58.9-18.5176.8-61.1-55.2000114.1S120S120-H122 PolarHBondContact O-N 3.15Å
123V76.6Confident89Confident131 Ų13159.1 Ų59.179%0.79434%0.344SS*.THydrogen-bonded Turntrans-103120.7166.9-176.40000108.3S121 G125S121-V123 WeakPolarHBondContact CB-O 3.48Å; S121-V123 CarbonylContact O-C 3.48Å; S121-V123 PolarHBondContact O-N 2.92Å; S121-V123 PolarHBondContact OG-O 3.4Å; V123-G125 PolarHBondContact O-N 3.39Å
124G73.1Confident88.9Confident44 Ų4462.9 Ų62.945%0.45436%0.359SS..THydrogen-bonded Turntrans76.3-6.3174.400000116.9Y32Y32-G124 VanDerWaalsContact CE2-O 3.23Å; Y32-G124 WeakPolarHBondContact CE2-O 3.23Å; Y32-G124 PolarHBondContact OH-O 3.15Å
125G84.3Confident89Confident25 Ų2561.5 Ų61.526%0.25835%0.346SS..  trans-70172.517300000114I119 S121 V123I119-G125 WeakPolarHBondContact O-CA 3.41Å; S121-G125 VanDerWaalsContact O-CA 3.25Å; S121-G125 WeakPolarHBondContact O-CA 3Å; S121-G125 PolarHBondContact O-N 3.44Å; V123-G125 PolarHBondContact O-N 3.39Å
126S89.4Confident89Confident16 Ų1661.6 Ų61.611%0.11235%0.346CS..  trans-130.8109.4176.3177.30000111.3Y32 I119 E128 V129 M130Y32-S126 VanDerWaalsContact CD1-CB 3.44Å; I119-S126 PolarHBondContact O-N 3.11Å; S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 2.82Å; S126-V129 PolarHBondContact O-N 3.41Å; S126-V129 PolarHBondContact OG-N 3.48Å; S126-M130 PolarHBondContact O-N 3.12Å
127P90.3Very high88.9Confident105 Ų10562.6 Ų62.668%0.68235%0.351SS*.Hα-helixtrans-68.3-31-17928-34.4000112.2M130 T131P127-M130 PolarHBondContact O-N 3.25Å; P127-T131 WeakPolarHBondContact O-CG2 3Å; P127-T131 PolarHBondContact O-N 3.27Å; P127-T131 VanDerWaalsContact O-N 3.09Å
128E93.8Very high88.7Confident115 Ų11558.7 Ų58.754%0.53734%0.341SS..Hα-helixtrans-59.6-48.6173.1-177.3175.4-171.800110.2P36 S126 M130 T131 L132P36-E128 WeakPolarHBondContact CB-OE1 3.33Å; P36-E128 HydrophobicContact CG-CG 4.22Å; S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 2.82Å; E128-M130 PolarHBondContact O-N 3.04Å; E128-T131 PolarHBondContact O-N 3.24Å; E128-T131 PolarHBondContact O-OG1 2.73Å; E128-L132 WeakPolarHBondContact O-CG 3.46Å; E128-L132 PolarHBondContact O-N 2.86Å
129V94.4Very high88.3Confident0 Ų058.9 Ų58.90%034%0.342CS..Hα-helixtrans-66.8-37.6177.6167.90000112.2Y32 L35 P36 I119 S126 T131 L132 L133Y32-V129 HydrophobicContact CD1-CB 4.31Å; Y32-V129 HydrophobicContact CD1-CG2 4.01Å; L35-V129 HydrophobicContact CD2-CG1 3.97Å; L35-V129 HydrophobicContact CD2-CG2 4.49Å; P36-V129 HydrophobicContact CG-CG2 4.25Å; I119-V129 HydrophobicContact CG2-CB 4.45Å; I119-V129 HydrophobicContact CG2-CG1 3.97Å; S126-V129 PolarHBondContact O-N 3.41Å; S126-V129 PolarHBondContact OG-N 3.48Å; V129-T131 PolarHBondContact O-N 2.69Å; V129-L132 WeakPolarHBondContact O-CB 3.4Å; V129-L132 PolarHBondContact O-N 2.65Å; V129-L132 VanDerWaalsContact O-N 3.11Å; V129-L133 HydrophobicContact CG1-CD1 4.33Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CG 3.43Å; V129-L133 PolarHBondContact O-N 2.69Å
130M94.3Very high87.7Confident38 Ų3862.4 Ų62.419%0.18736%0.359CS..Hα-helixtrans-56.1-47.8173.9-74.7-58.9-57.600112L116 I119 S126 P127 E128 L132 L133 E134L116-M130 HydrophobicContact CD1-CE 4.07Å; L116-M130 HydrophobicContact CD1-SD 3.96Å; I119-M130 HydrophobicContact CB-SD 4.22Å; I119-M130 HydrophobicContact CG2-CG 3.99Å; I119-M130 HydrophobicContact CG2-SD 3.64Å; S126-M130 PolarHBondContact O-N 3.12Å; P127-M130 PolarHBondContact O-N 3.25Å; E128-M130 PolarHBondContact O-N 3.04Å; M130-L132 PolarHBondContact O-N 3.4Å; M130-L133 PolarHBondContact O-N 2.93Å; M130-L133 HydrophobicContact SD-CD1 4.4Å; M130-E134 WeakPolarHBondContact O-CG 2.94Å; M130-E134 PolarHBondContact O-N 3.38Å
131T94.7Very high86.9Confident78 Ų7864.8 Ų64.848%0.47936%0.361SS..Hα-helixtrans-62.1-28.417861.90000113.7P127 E128 V129 E135P127-T131 WeakPolarHBondContact O-CG2 3Å; P127-T131 PolarHBondContact O-N 3.27Å; P127-T131 VanDerWaalsContact O-N 3.09Å; E128-T131 PolarHBondContact O-N 3.24Å; E128-T131 PolarHBondContact O-OG1 2.73Å; V129-T131 PolarHBondContact O-N 2.69Å; T131-E135 PolarHBondContact O-N 3.3Å
132L94.9Very high86.1Confident20 Ų2068.4 Ų68.411%0.10537%0.373CS..Hα-helixtrans-74-32174.3-65.1-177000113P36 R39 E128 V129 M130P36-L132 HydrophobicContact CB-CD1 4.19Å; P36-L132 HydrophobicContact CG-CD1 4.08Å; R39-L132 HydrophobicContact CB-CD1 4.26Å; R39-L132 HydrophobicContact CB-CD2 4.45Å; R39-L132 HydrophobicContact CG-CD1 4.44Å; R39-L132 HydrophobicContact CG-CD2 3.74Å; E128-L132 WeakPolarHBondContact O-CG 3.46Å; E128-L132 PolarHBondContact O-N 2.86Å; V129-L132 WeakPolarHBondContact O-CB 3.4Å; V129-L132 PolarHBondContact O-N 2.65Å; V129-L132 VanDerWaalsContact O-N 3.11Å; M130-L132 PolarHBondContact O-N 3.4Å
133L95.2Very high85.7Confident2 Ų263.2 Ų63.21%0.0135%0.349CS..Hα-helixtrans-73.7-43174-61.5179000110.6C107 I110 T111 L116 I119 V129 M130 E135 V136 L137C107-L133 HydrophobicContact CB-CD2 3.76Å; I110-L133 HydrophobicContact CB-CD1 4.5Å; I110-L133 HydrophobicContact CB-CD2 4.01Å; I110-L133 HydrophobicContact CD1-CD2 4.16Å; I110-L133 HydrophobicContact CG2-CD1 3.69Å; I110-L133 HydrophobicContact CG2-CD2 4.03Å; T111-L133 HydrophobicContact CG2-CB 3.76Å; T111-L133 HydrophobicContact CG2-CD1 4.02Å; T111-L133 HydrophobicContact CG2-CD2 4.18Å; T111-L133 HydrophobicContact CG2-CG 4.18Å; L116-L133 HydrophobicContact CD1-CD1 4.04Å; I119-L133 HydrophobicContact CD1-CD1 4.37Å; V129-L133 HydrophobicContact CG1-CD1 4.33Å; V129-L133 HydrophobicContact CG1-CG 4.35Å; V129-L133 WeakPolarHBondContact O-CG 3.43Å; V129-L133 PolarHBondContact O-N 2.69Å; M130-L133 PolarHBondContact O-N 2.93Å; M130-L133 HydrophobicContact SD-CD1 4.4Å; L133-E135 PolarHBondContact O-N 3.24Å; L133-V136 PolarHBondContact O-N 2.91Å; L133-L137 WeakPolarHBondContact O-CG 3.16Å; L133-L137 PolarHBondContact O-N 2.87Å
134E93.3Very high84.8Confident97 Ų9759.7 Ų59.745%0.45333%0.334SS..Hα-helixtrans-58.6-44.1177.5-72.2163.2-167.200112.4M130 V136 L137 V138M130-E134 WeakPolarHBondContact O-CG 2.94Å; M130-E134 PolarHBondContact O-N 3.38Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 2.84Å; E134-L137 PolarHBondContact O-N 3Å; E134-V138 WeakPolarHBondContact O-CG2 3.39Å; E134-V138 PolarHBondContact O-N 3.04Å
135E93.3Very high83.8Confident56 Ų5663.9 Ų63.926%0.26234%0.341SS..Hα-helixtrans-59.1-42176.2-172.5-171.9-166.900112.2R39 T131 L133 V138 S139R39-E135 IonicContact CZ-OE1 2.69Å; R39-E135 IonicContact CZ-OE2 3.12Å; R39-E135 IonicContact NH1-OE1 3.38Å; R39-E135 IonicContact NH1-OE2 2.72Å; R39-E135 PolarHBondContact NH1-OE2 3Å; R39-E135 IonicContact NH2-OE1 2.65Å; R39-E135 PolarHBondContact NH2-OE1 3.41Å; R39-E135 IonicContact NH2-OE2 2.82Å; R39-E135 PolarHBondContact NH2-OE2 3.48Å; T131-E135 PolarHBondContact O-N 3.3Å; L133-E135 PolarHBondContact O-N 3.24Å; E135-V138 PolarHBondContact O-N 2.95Å; E135-S139 PolarHBondContact O-N 3.31Å; E135-S139 PolarHBondContact O-OG 2.87Å
136V92.1Very high81.9Confident5 Ų570.5 Ų70.53%0.0337%0.365CS..Hα-helixtrans-69.6-37.4178.6174.20000111.5Y103 R104 C107 L108 L133 E134 S139 H140Y103-V136 HydrophobicContact CD1-CG2 4.47Å; Y103-V136 HydrophobicContact CE1-CG2 3.81Å; R104-V136 HydrophobicContact CB-CG1 4.15Å; R104-V136 HydrophobicContact CG-CG1 4.28Å; C107-V136 HydrophobicContact CB-CB 4.01Å; C107-V136 HydrophobicContact CB-CG1 3.96Å; C107-V136 HydrophobicContact CB-CG2 3.89Å; L108-V136 HydrophobicContact CD2-CG1 4.45Å; L108-V136 HydrophobicContact CG-CG1 4.15Å; L133-V136 PolarHBondContact O-N 2.91Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 2.84Å; V136-S139 PolarHBondContact O-N 2.81Å; V136-H140 WeakPolarHBondContact O-CB 3.41Å; V136-H140 PolarHBondContact O-N 2.99Å
137L90.8Very high79.7Confident74 Ų7475 Ų7539%0.38739%0.394SS..Hα-helixtrans-64.1-40.8175.4-71.6172.1000112L108 T111 L133 E134 K141L108-L137 HydrophobicContact CD2-CD2 4.07Å; T111-L137 HydrophobicContact CG2-CD1 3.91Å; T111-L137 HydrophobicContact CG2-CD2 4.31Å; T111-L137 HydrophobicContact CG2-CG 4.19Å; L133-L137 WeakPolarHBondContact O-CG 3.16Å; L133-L137 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3Å; L137-K141 PolarHBondContact O-N 3.34Å; L137-K141 VanDerWaalsContact O-N 3.1Å
138V87.4Confident77.2Confident84 Ų8472.9 Ų72.951%0.50939%0.392SS..Hα-helixtrans-62.8-52.7174.6172.80000110.5E134 E135 H140 K141 E142E134-V138 WeakPolarHBondContact O-CG2 3.39Å; E134-V138 PolarHBondContact O-N 3.04Å; E135-V138 PolarHBondContact O-N 2.95Å; V138-H140 VanDerWaalsContact C-N 3.3Å; V138-H140 PolarHBondContact O-N 2.72Å; V138-K141 PolarHBondContact O-N 2.92Å; V138-E142 HydrophobicContact CG1-CG 4.47Å; V138-E142 WeakPolarHBondContact O-CG 3.33Å; V138-E142 PolarHBondContact O-N 2.96Å
139S80.3Confident74.8Confident29 Ų2976 Ų7620%0.20341%0.411CS..Hα-helixtrans-59.4-38.4179.1-64.20000113.2E135 V136 K141 E142 E143E135-S139 PolarHBondContact O-N 3.31Å; E135-S139 PolarHBondContact O-OG 2.87Å; V136-S139 PolarHBondContact O-N 2.81Å; S139-K141 VanDerWaalsContact C-N 3.31Å; S139-K141 PolarHBondContact O-N 3.01Å; S139-E142 PolarHBondContact O-N 3.42Å; S139-E143 WeakPolarHBondContact O-CG 3.35Å; S139-E143 PolarHBondContact O-N 3.34Å
140H78.5Confident72.3Confident77 Ų7780.8 Ų80.836%0.35645%0.45SS..Hα-helixtrans-69.6-28.3177.1-170.4-76.4000112.5V136 V138 A144V136-H140 WeakPolarHBondContact O-CB 3.41Å; V136-H140 PolarHBondContact O-N 2.99Å; V138-H140 VanDerWaalsContact C-N 3.3Å; V138-H140 PolarHBondContact O-N 2.72Å; H140-A144 WeakPolarHBondContact O-CB 2.96Å; H140-A144 PolarHBondContact O-N 2.97Å
141K73.4Confident69.5Low113 Ų11388.2 Ų88.249%0.49148%0.484SS..Hα-helixtrans-74.8-41.4174.5-170.6172.2-178.1-71.10111.6L137 V138 S139 E143 A144 E145L137-K141 PolarHBondContact O-N 3.34Å; L137-K141 VanDerWaalsContact O-N 3.1Å; V138-K141 PolarHBondContact O-N 2.92Å; S139-K141 VanDerWaalsContact C-N 3.31Å; S139-K141 PolarHBondContact O-N 3.01Å; K141-E143 VanDerWaalsContact C-N 3.28Å; K141-E143 PolarHBondContact O-N 3.36Å; K141-A144 PolarHBondContact O-N 3.1Å; K141-A144 VanDerWaalsContact O-N 3.14Å; K141-E145 IonicContact NZ-OE1 3.18Å; K141-E145 PolarHBondContact NZ-OE1 2.96Å; K141-E145 IonicContact NZ-OE2 2.7Å; K141-E145 PolarHBondContact NZ-OE2 3.49Å; K141-E145 PolarHBondContact O-N 3.49Å
142E69.6Low66.7Low122 Ų12293.2 Ų93.257%0.5750%0.503SS*.Hα-helixtrans-59.1-38.9173.4-67.3172150.800111.5V138 S139V138-E142 HydrophobicContact CG1-CG 4.47Å; V138-E142 WeakPolarHBondContact O-CG 3.33Å; V138-E142 PolarHBondContact O-N 2.96Å; S139-E142 PolarHBondContact O-N 3.42Å
143E59.7Low63.6Low96 Ų9699.2 Ų99.245%0.44954%0.535SS..Hα-helixtrans-72-35.2173.8-71173.1168.400112.8R104 S139 K141 H146R104-E143 IonicContact CZ-OE1 2.77Å; R104-E143 IonicContact CZ-OE2 3.63Å; R104-E143 IonicContact NH1-OE1 2.64Å; R104-E143 PolarHBondContact NH1-OE1 3.21Å; R104-E143 IonicContact NH1-OE2 3.64Å; R104-E143 PolarHBondContact NH1-OE2 2.86Å; R104-E143 IonicContact NH2-OE1 3.03Å; R104-E143 PolarHBondContact NH2-OE1 3.34Å; R104-E143 IonicContact NH2-OE2 2.76Å; S139-E143 WeakPolarHBondContact O-CG 3.35Å; S139-E143 PolarHBondContact O-N 3.34Å; K141-E143 VanDerWaalsContact C-N 3.28Å; K141-E143 PolarHBondContact O-N 3.36Å; E143-H146 PolarHBondContact O-N 3.01Å
144A58.2Low60.7Low57 Ų57105.3 Ų105.347%0.47157%0.572SS.*Hα-helixtrans-81.6-12.5-178.700000114.9H140 K141 P147H140-A144 WeakPolarHBondContact O-CB 2.96Å; H140-A144 PolarHBondContact O-N 2.97Å; K141-A144 PolarHBondContact O-N 3.1Å; K141-A144 VanDerWaalsContact O-N 3.14Å; A144-P147 VanDerWaalsContact C-CD 3.45Å; A144-P147 WeakPolarHBondContact O-CD 3.08Å; A144-P147 WeakPolarHBondContact O-CG 3.43Å
145E51.9Low57.8Low132 Ų132105.6 Ų105.662%0.61758%0.577SS**THydrogen-bonded Turntrans-93.71.9171.1-70.8177.5143.400112.7K141 P147K141-E145 IonicContact NZ-OE1 3.18Å; K141-E145 PolarHBondContact NZ-OE1 2.96Å; K141-E145 IonicContact NZ-OE2 2.7Å; K141-E145 PolarHBondContact NZ-OE2 3.49Å; K141-E145 PolarHBondContact O-N 3.49Å; E145-P147 VanDerWaalsContact C-CD 3.46Å
146H43.5Very low55.2Low164 Ų164108.8 Ų108.876%0.75960%0.602SS**  trans-111.512.5174.4-94.5-69.6000119E143 G148E143-H146 PolarHBondContact O-N 3.01Å; H146-G148 PolarHBondContact O-N 3.03Å
147P44Very low52.3Low111 Ų111113.1 Ų113.172%0.72163%0.632SS**  trans-77.187.417333.2-33.7000110.9A144 E145A144-P147 VanDerWaalsContact C-CD 3.45Å; A144-P147 WeakPolarHBondContact O-CD 3.08Å; A144-P147 WeakPolarHBondContact O-CG 3.43Å; E145-P147 VanDerWaalsContact C-CD 3.46Å
148G38.3Very low49.5Very low61 Ų61113.8 Ų113.863%0.62965%0.649SS**  trans-150.7136.4177.600000113.1H146H146-G148 PolarHBondContact O-N 3.03Å
149L43.6Very low47.4Very low181 Ų181115.8 Ų115.895%0.94866%0.663SS**SBendtrans71.357.1177-49.5-176.8000116.4
150A40.3Very low45Very low99 Ų99123.9 Ų123.982%0.81870%0.698SS**  trans-148.537.1154.800000112.4
151E37Very low42.8Very low194 Ų194125.2 Ų125.291%0.90772%0.716SS**  trans-80.4115.9162.8-65.4-96.7103.700106.8
152E34.5Very low40.9Very low184 Ų184127.7 Ų127.786%0.8673%0.734SS**  trans-78.9122.5170.8-70.4-165.4105.100109.4V154E152-V154 PolarHBondContact O-N 2.98Å
153D30Very low39.1Very low145 Ų145128.1 Ų128.178%0.77575%0.745SS**  trans-69.590.8-179.3-173.3-108.3000111.2N155D153-N155 VanDerWaalsContact C-N 3.32Å; D153-N155 PolarHBondContact O-N 3.18Å; D153-N155 VanDerWaalsContact O-N 3.11Å
154V35.5Very low38.5Very low131 Ų131128.6 Ų128.679%0.79476%0.757SS**  trans-83.878.3173.3-174.90000109.2E152 P156E152-V154 PolarHBondContact O-N 2.98Å; V154-P156 VanDerWaalsContact O-CD 3.3Å; V154-P156 WeakPolarHBondContact O-CD 3.47Å
155N32.6Very low37.2Very low103 Ų103131.7 Ų131.755%0.55177%0.769SS**  trans-77.9115.8172.3175.8-8000111.6D153 S157D153-N155 VanDerWaalsContact C-N 3.32Å; D153-N155 PolarHBondContact O-N 3.18Å; D153-N155 VanDerWaalsContact O-N 3.11Å; N155-S157 PolarHBondContact O-N 3.15Å; N155-S157 PolarHBondContact OD1-N 2.75Å; N155-S157 PolarHBondContact OD1-OG 3.45Å
156P38.9Very low36.2Very low122 Ų122134.1 Ų134.179%0.79278%0.781SS**  trans-99.772.5175.937.5-26.3000111V154V154-P156 VanDerWaalsContact O-CD 3.3Å; V154-P156 WeakPolarHBondContact O-CD 3.47Å
157S29.6Very low35.6Very low96 Ų96130.3 Ų130.367%0.67178%0.778SS**PPolyproline II helixtrans-81.1124.2174.5-70.40000111.7N155N155-S157 PolarHBondContact O-N 3.15Å; N155-S157 PolarHBondContact OD1-N 2.75Å; N155-S157 PolarHBondContact OD1-OG 3.45Å
158A32.1Very low36.1Very low89 Ų89130.6 Ų130.674%0.73678%0.78SS**PPolyproline II helixtrans-76.7157.9-179.600000112.7
159P43.3Very low36.4Very low125 Ų125133.7 Ų133.781%0.81279%0.789SS**PPolyproline II helixtrans-85126.4-171.532.3-34.2000113.6
160E30.8Very low35.9Very low199 Ų199129.3 Ų129.393%0.9378%0.779SS**PPolyproline II helixtrans-82.4162156.3-67.6-164.4106.100111
161S32.2Very low36.4Very low106 Ų106130.2 Ų130.274%0.74178%0.776SS**  trans-141.7160.4-170.8-170.40000112.5
162L32.4Very low36.2Very low164 Ų164125 Ų12586%0.85977%0.767SS**  trans84.5142176.4-48-178.5000116.9
163T33.4Very low36Very low131 Ų131124 Ų12480%0.80476%0.762SS**  trans-120.3-166.1-176.159.20000107.6
164P45.8Very low36Very low107 Ų107123.5 Ų123.570%0.69576%0.759SS**  cis-136.3-157.8-3.242-22.1000114.1
165T31.2Very low35.8Very low121 Ų121122.9 Ų122.974%0.74276%0.76SS**  trans84.9134.6171-260000113.2
166E30.2Very low35.8Very low183 Ų183122.4 Ų122.486%0.85577%0.77SS**  cis-137.5176.29-151.9170.192.500112
167A32.9Very low35.9Very low84 Ų84123.1 Ų123.169%0.69477%0.772SS**  trans-162.5165.8174.600000110.8
168P54.5Low36.6Very low117 Ų117124.2 Ų124.276%0.7678%0.777SS**  cis-122.2-163.9-19.140.4-22.5000110.5
169P44.2Very low36.6Very low127 Ų127128.3 Ų128.383%0.82578%0.781SS**  -143.3163.576.637.8-19.7000115.8
170A33Very low36Very low89 Ų89127.1 Ų127.174%0.73678%0.776SS**  trans-110.7-169.4162.600000107.9
171P49.8Very low36.1Very low117 Ų117123.4 Ų123.476%0.7677%0.772SS**  cis-135.2-154.2-4.641.7-21.7000112.5
172A34.4Very low35.9Very low86 Ų86124.6 Ų124.671%0.71178%0.78SS**  trans72.7149.4150.700000118.9
173E29.9Very low35.8Very low163 Ų163121.6 Ų121.676%0.76277%0.773SS**  cis-154.3167.3-9.1-103-103.9102.600110.3
174L29.8Very low35.9Very low134 Ų134124 Ų12470%0.70277%0.774SS**  trans-19.9144.3162.4-52.3166.5000118.3
175S31.5Very low36.3Very low117 Ų117124 Ų12482%0.81878%0.775SS**  173.6148.5106.5-81.70000118.1
176A32.4Very low37.5Very low93 Ų93123.6 Ų123.677%0.76977%0.774SS**  trans54.6112.6140.900000122.6
177V40.9Very low37.5Very low137 Ų137120.6 Ų120.683%0.8377%0.772SS**  trans-83.2144.6149.51700000110.1
178P43.7Very low37.5Very low120 Ų120125.7 Ų125.778%0.77978%0.779SS**  trans-131.9106.2145.833.9-20.1000114.3
179Q32.7Very low36.5Very low175 Ų175127.4 Ų127.482%0.81878%0.782SS**  trans20.3135.4139.8-69.9-174.2-31.700123.4
180S30.4Very low35.9Very low100 Ų100124.4 Ų124.470%0.69977%0.773SS**  trans88.2100.8134.1-63.80000122.6
181S33Very low37.2Very low121 Ų121126 Ų12685%0.84678%0.777SS**  47114.9113.3-48.40000122.5
182S27.1Very low37.5Very low130 Ų130125.8 Ų125.891%0.90978%0.775SS**  trans-163.9177.113161.60000111.8
183S31.5Very low37.3Very low102 Ų102129.1 Ų129.171%0.71378%0.781SS**  trans-138148.1-161.253.80000115.2
184E34Very low37.5Very low180 Ų180126.1 Ų126.184%0.84178%0.777SS**  trans65.7174.3153.8-73.8-171.4177.700119.1
185P55.1Low37.9Very low109 Ų109127.7 Ų127.771%0.70879%0.786SS**  -130.6-124.7-51.839.6-22000109.6
186P57.2Low38Very low111 Ų111125.6 Ų125.672%0.72178%0.783SS**  -119.5179.8-56.739.7-25.9000113.7
187C29.8Very low37.8Very low120 Ų120130.4 Ų130.481%0.81179%0.789SS**  trans161.1152.3147.5-92.20000110.1
188F31.7Very low37.3Very low191 Ų191128.2 Ų128.284%0.83879%0.786SS**  cis-150163.72.8-160.4-107.5000110.2
189N35Very low36.8Very low154 Ų154130.8 Ų130.882%0.82479%0.792SS**  trans-103.7170.5178.9-74.6-49.2000111.5
190G31.6Very low36.6Very low63 Ų63131.6 Ų131.665%0.64980%0.796SS**  cis176.2-176.72.700000111.4
191P60Low36.6Very low124 Ų124134 Ų13481%0.80580%0.801SS**  trans-113.3147.9-167.238.8-30.9000116.5
192P56.2Low37.2Very low111 Ų111133.5 Ų133.572%0.72180%0.795SS**  trans-86178.8152.938.3-34000110.8
193D29.5Very low37.1Very low156 Ų156132.9 Ų132.983%0.83479%0.791SS**  cis-134.9171.1-0.9-134.2-37.8000110.2
194C33.6Very low37.4Very low100 Ų100133.3 Ų133.368%0.67679%0.794SS**  trans-101.8169.3-152.5-670000119.5
195N38.6Very low38.2Very low167 Ų167130.2 Ų130.289%0.89379%0.789SS**  trans87.3143.7166.6-49.3-39.2000117
196G33.1Very low36.8Very low73 Ų73133.3 Ų133.375%0.75379%0.794SS**  cis179.599.4-4.800000115.6
197Q29.6Very low35.7Very low194 Ų194135.1 Ų135.191%0.90780%0.797SS**  trans40116.7145.8-167.5159.712.400122.2
198A30.2Very low35.6Very low92 Ų92138.1 Ų138.176%0.7680%0.799SS**  trans93.8163.2140.800000122.1
199L33.6Very low35.5Very low174 Ų174135.3 Ų135.391%0.91180%0.797SS**  trans82.1155.8179.9-71.6164.3000117.4
200E28Very low35.2Very low191 Ų191132.7 Ų132.789%0.89379%0.79SS**  trans-106.5159.2-153.6-62-175.9116.500114
201D30.2Very low34.9Very low152 Ų152137.8 Ų137.881%0.81380%0.797SS**  trans-56.8167.6170.5-14230.2000113.4
202P45.3Very low33.3Very low109 Ų109137.7 Ų137.771%0.70879%0.793SS**  cis-127165.7-35.722-1.8000112.7
203S24.3Very low32Very low118 Ų118137.9 Ų137.983%0.82579%0.793SS**  trans-155.7133.5163.263.20000115.3
204S38.9Very low32Very low111 Ų111138.8 Ų138.878%0.77679%0.792SS**  trans-65.2174158.9-41.70000111.5
205P50.1Low31.7Very low115 Ų115141.9 Ų141.975%0.74780%0.796SS**  -154.9162.994.640.9-23.9000116.8
206E26.9Very low31.3Very low173 Ų173140.7 Ų140.781%0.80879%0.785SS**  -160.4126112.3-96.9-179.2105.800106.4
207L34.2Very low31.1Very low150 Ų150143.9 Ų143.979%0.78578%0.781SS**  58.5132.893.3-56.6-176.9000113.5
208E28Very low31.1Very low183 Ų183141.6 Ų141.686%0.85577%0.77SS**  cis-140.3-172.513.8-146.6175.6157.500112.6
209V29.5Very low31.1Very low131 Ų131143.8 Ų143.879%0.79477%0.765SS**  trans-149.6146.8-153.3156.90000109.4
210C27.4Very low30.9Very low99 Ų99141.8 Ų141.867%0.66975%0.75SS**  cis-149.2-158.613.6-146.90000109.1
211E26.5Very low30.9Very low170 Ų170141.1 Ų141.179%0.79475%0.747SS**  cis-161.8-155.71.7-153.9149.297.100110.1
212V25.6Very low30.7Very low122 Ų122140.6 Ų140.674%0.73974%0.739SS**  trans95.494.4154.7-168.70000120.4
213V28.6Very low30.1Very low116 Ų116143.4 Ų143.470%0.70375%0.748SS**  trans64.4117.4130.3-177.90000122.8
214E30.7Very low30.2Very low174 Ų174141.2 Ų141.281%0.81374%0.743SS**  trans32.1166.7130.7-48.1-175.794.900125
215E27.1Very low29.9Very low165 Ų165144.6 Ų144.677%0.77175%0.752SS**  trans68.4163.8166-74.3-153.65300118.5
216Q29.3Very low28.8Very low142 Ų142144.8 Ų144.866%0.66476%0.756SS**  cis-164.6135.4-36.2175.1160.6-109.300109.2
217Q28.7Very low29Very low141 Ų141142.8 Ų142.866%0.65976%0.755SS**  trans43.8149.2145.2-149.618039.400122.7
218Q29.4Very low28.8Very low145 Ų145140.4 Ų140.468%0.67875%0.751SS**  trans68166.5160.4-81.4150.825.400115.5
219Q30.9Very low29Very low139 Ų139140 Ų14065%0.6575%0.749SS**  cis-154.9147.24.7-142.1162.1-3700112.7
220Q28.8Very low28.9Very low132 Ų132139.2 Ų139.262%0.61775%0.745SS**  trans44.1170.6149.7-72.7169.6-61.700119.2
221H28.5Very low28.9Very low177 Ų177141 Ų14182%0.81975%0.752SS**  cis-126.7145.413.5-69.6-136.6000109.6
222H26.1Very low28.9Very low141 Ų141138.3 Ų138.365%0.65375%0.752SS**  84.6121.952.5-122.1-88.6000115.7
223L32.1Very low29.1Very low168 Ų168138.6 Ų138.688%0.8876%0.759SS**  trans71.2149.2172.2-50.4171000116.2
224G27.5Very low29.1Very low71 Ų71136 Ų13673%0.73276%0.756SS**  cis-172.7163.3-2.800000113.8
225L32.2Very low29Very low183 Ų183135.3 Ų135.396%0.95876%0.757SS**  trans-51.6141.3-176.2-66.3147000115.9
226S27.1Very low29.2Very low118 Ų118134.6 Ų134.683%0.82575%0.753SS**  trans-163.5158.4134.3-161.70000112.3
227V31.7Very low29.2Very low131 Ų131135.3 Ų135.379%0.79476%0.761SS**  trans-137.1130.3169.6173.80000107.6
228S30.2Very low29.2Very low100 Ų100131.7 Ų131.770%0.69976%0.761SS**  trans164.2118.3137.7-87.30000113.5
229E31.1Very low29.1Very low175 Ų175133.2 Ų133.282%0.81877%0.773SS**  trans52160.7133.1-49.5-159.8133.500125
230T27Very low28.9Very low115 Ų115131.4 Ų131.471%0.70678%0.776SS**  trans77.3107.5159.560.70000121.7
231T26.9Very low28.9Very low135 Ų135131.3 Ų131.383%0.82878%0.784SS**  trans65.1163.2135.260.90000120.8
232C28.3Very low29Very low115 Ų115126 Ų12678%0.77778%0.777SS**  cis-167.7128.1-38.4-179.30000108.3
233S29.9Very low30Very low128 Ų128124.9 Ų124.990%0.89578%0.783SS**  trans-173.2137.8166.5-77.50000108.6
234G28.5Very low29.7Very low62 Ų62124.8 Ų124.864%0.63978%0.782SS**  cis168.9159.7-800000111.5
235L28.8Very low30Very low158 Ų158127.5 Ų127.583%0.82779%0.785SS**  trans76.1137.1173.3-44.2177.9000116.1
236E30.5Very low30.7Very low151 Ų151123.9 Ų123.971%0.70677%0.772SS**  cis-159164.1-6.5-125.8177.317200113.8
237L28.8Very low30.8Very low157 Ų157123.7 Ų123.782%0.82277%0.766SS**  trans47.2123.9153.4-67.9156.3000120.6
238G28.1Very low30.8Very low64 Ų64125.1 Ų125.166%0.6677%0.768SS**  cis146.5129.7-13.700000115.4
239L28Very low30.8Very low178 Ų178123.6 Ų123.693%0.93277%0.768SS**  trans63.5156.1157.9-52.8176.4000117.4
240S27.9Very low30.8Very low100 Ų100120.9 Ų120.970%0.69976%0.763SS**  cis-164.7167.4-23.851.60000105.3
241T28.6Very low31Very low130 Ų130121.4 Ų121.480%0.79877%0.766SS**  cis-164.8165.434.937.30000109.4
242G30.5Very low31Very low66 Ų66120.3 Ų120.368%0.6876%0.763SS**  trans-97.6-156.8155.100000111.6
243P47.2Very low31.2Very low117 Ų117119.6 Ų119.676%0.7676%0.759SS**  cis-140.8-168.6-5.738.8-17.7000114.7
244L25.7Very low31.3Very low166 Ų166118.6 Ų118.687%0.86974%0.743SS**  trans76150160.8-58.6174.2000120.6
245T33.5Very low31.9Very low128 Ų128125.1 Ų125.179%0.78575%0.748SS**  trans-99.4-175.2172.857.90000109.5
246P46.5Very low32.2Very low108 Ų108125.3 Ų125.370%0.70175%0.745SS**  cis-143.8-168.16.240.8-18.7000117.1
247T28.5Very low32.1Very low113 Ų113121.2 Ų121.269%0.69374%0.743SS**  trans89.4117.1140.2-66.10000123.2
248I33.4Very low32.4Very low162 Ų162122.4 Ų122.483%0.83175%0.745SS**  trans64.3139.4151.7-67.8168.4000118.4
249G29Very low33.7Very low68 Ų68124.1 Ų124.170%0.70174%0.744SS**  cis-166.3-163.10.500000110.3
250T31.5Very low33.5Very low118 Ų118121.7 Ų121.772%0.72474%0.741SS**  cis-167.8135.718.6-63.30000111
251V30.6Very low33.8Very low126 Ų126122.9 Ų122.976%0.76474%0.744SS**  trans54.8154.5167.4-56.60000120
252C27.5Very low33.9Very low111 Ų111128.1 Ų128.175%0.7575%0.749SS**  cis-121.4148-0.7-55.40000109.3
253S33Very low34.3Very low100 Ų100133.8 Ų133.870%0.69976%0.758SS**  cis63.2127.749.6-69.40000113
254L32.2Very low33.7Very low107 Ų107135.7 Ų135.756%0.5676%0.761SS**  cis-155.6163.613.4-96.9145.4000106.9E256L254-E256 VanDerWaalsContact CD2-CD 3.45Å; L254-E256 HydrophobicContact CD2-CG 4.37Å; L254-E256 WeakPolarHBondContact CD2-OE1 3.32Å; L254-E256 WeakPolarHBondContact CD2-OE2 3.48Å
255R39.7Very low34.1Very low199 Ų199136.5 Ų136.575%0.75176%0.76SS**  cis-176.1171.217.840.2-173.1131.4-101.5-9.2108.6
256E36Very low34.4Very low163 Ų163140.1 Ų140.176%0.76277%0.768SS**  cis178.5154.1-25.5-90.8153.2149.100103.8L254L254-E256 VanDerWaalsContact CD2-CD 3.45Å; L254-E256 HydrophobicContact CD2-CG 4.37Å; L254-E256 WeakPolarHBondContact CD2-OE1 3.32Å; L254-E256 WeakPolarHBondContact CD2-OE2 3.48Å
257G28.4Very low34.4Very low65 Ų65138.5 Ų138.567%0.6777%0.771SS**  cis-172.6144-7.500000106.6
258E34.1Very low34.4Very low181 Ų181141 Ų14185%0.84678%0.775SS**  78.2147.562.9-78.6-63.591.400114.6
259P55.9Low34.9Very low101 Ų101139.3 Ų139.366%0.65677%0.772SS**  -132.8-152.9-118.443.5-26.6000113.1
260C24.3Very low35.4Very low126 Ų126143.2 Ų143.285%0.85178%0.776SS**  trans-136.8132.5161-167.90000111.6
261T33.4Very low36Very low125 Ų125145.1 Ų145.177%0.76778%0.781SS**  trans-84.8150.3178.849.30000112.6
262R30.9Very low36.8Very low240 Ų240144.9 Ų144.991%0.90678%0.775SS**  trans-150.2133.1143.7-150170.7-175.9149.73.5112.3
263E38.4Very low38.3Very low185 Ų185142 Ų14286%0.86476%0.756SS**  trans-76.8151.2170.4-60.4162.4120.300110.1
264L34.4Very low39.3Very low157 Ų157142.8 Ų142.882%0.82276%0.756SS**  trans-152.8151.7168-116.8155.8000110
265E33.8Very low40.7Very low183 Ų183144.8 Ų144.886%0.85576%0.762SS**  trans-81.2169.9-162.7-75.71789400115.4G267E265-G267 PolarHBondContact O-N 3.45Å
266E39.9Very low41.7Very low205 Ų205139.9 Ų139.996%0.95875%0.748SS**SBendtrans-56.2106.2168.4-178.1174.2-16300111.9
267G46.6Very low43.4Very low74 Ų74135.4 Ų135.476%0.76373%0.731SS**  trans132.445.4158.600000120E265E265-G267 PolarHBondContact O-N 3.45Å
268E29.9Very low44.5Very low165 Ų165137.6 Ų137.677%0.77173%0.727SS**  trans-104.9127.4161-76.9-160.8124.700112.7
269V42.9Very low45.6Very low126 Ų126136.5 Ų136.576%0.76472%0.722SS**  trans-99.6104.5169.2178.20000108L271V269-L271 HydrophobicContact CG1-CD2 4.13Å; V269-L271 HydrophobicContact CG1-CG 4.36Å; V269-L271 PolarHBondContact O-N 2.86Å
270L40.5Very low45.7Very low151 Ų151137.1 Ų137.179%0.79172%0.724SS**  trans-68.691.4175.2-67.3176.4000110.6L272L270-L272 PolarHBondContact O-N 2.99Å; L270-L272 VanDerWaalsContact O-N 3.12Å
271L43.6Very low46.3Very low157 Ų157137.3 Ų137.382%0.82272%0.716SS**  trans-7592.4169.6-66.7177.3000109.3V269 S273V269-L271 HydrophobicContact CG1-CD2 4.13Å; V269-L271 HydrophobicContact CG1-CG 4.36Å; V269-L271 PolarHBondContact O-N 2.86Å; L271-S273 PolarHBondContact O-N 3.22Å
272L46.9Very low46.8Very low122 Ų122136.5 Ų136.564%0.63971%0.707SS**  trans-50.8133.3169-67173.8000110.2L270 V277L270-L272 PolarHBondContact O-N 2.99Å; L270-L272 VanDerWaalsContact O-N 3.12Å; L272-V277 HydrophobicContact CB-CG2 4.16Å
273S60Low47.4Very low51 Ų51130.7 Ų130.736%0.35770%0.701SS.*  trans-70.8158.4179.570.30000111.5L271 E275 E276 V277L271-S273 PolarHBondContact O-N 3.22Å; S273-E275 PolarHBondContact O-N 3.2Å; S273-E276 VanDerWaalsContact CB-OE2 3.25Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.68Å; S273-E276 PolarHBondContact O-N 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.3Å; S273-E276 PolarHBondContact OG-N 2.78Å; S273-E276 PolarHBondContact OG-OE2 2.83Å; S273-V277 PolarHBondContact O-N 3.13Å
274V54.1Low47.4Very low115 Ų115128.5 Ų128.570%0.69769%0.694SS**Hα-helixtrans-62.6-28.4177.3179.20000111.4L278V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CB 3.39Å; V274-L278 WeakPolarHBondContact O-CD1 3.31Å; V274-L278 WeakPolarHBondContact O-CG 3.24Å; V274-L278 PolarHBondContact O-N 3.28Å
275E60.2Low47.4Very low149 Ų149128.9 Ų128.970%0.69669%0.692SS**Hα-helixtrans-75.3-38.5178.4-80.7165.2111.600113S273 V277 L278 Q279S273-E275 PolarHBondContact O-N 3.2Å; E275-V277 PolarHBondContact O-N 3.3Å; E275-L278 PolarHBondContact O-N 2.85Å; E275-Q279 WeakPolarHBondContact O-CG 3.42Å; E275-Q279 PolarHBondContact O-N 2.93Å
276E62.3Low47.4Very low96 Ų96125.5 Ų125.545%0.44969%0.685SS.*Hα-helixtrans-63.1-42.3174.6-71.5161.4114.600112S273 L278 Q279 T280S273-E276 VanDerWaalsContact CB-OE2 3.25Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.68Å; S273-E276 PolarHBondContact O-N 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.3Å; S273-E276 PolarHBondContact OG-N 2.78Å; S273-E276 PolarHBondContact OG-OE2 2.83Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.1Å; E276-Q279 PolarHBondContact O-N 3.37Å; E276-T280 PolarHBondContact O-N 3.44Å; E276-T280 VanDerWaalsContact O-N 3.16Å; E276-T280 PolarHBondContact O-OG1 3Å
277V70.8Confident47Very low69 Ų69123.4 Ų123.442%0.41868%0.681SS.*Hα-helixtrans-67.8-31.9177.8178.60000111.8L272 S273 E275 T280 L281L272-V277 HydrophobicContact CB-CG2 4.16Å; S273-V277 PolarHBondContact O-N 3.13Å; E275-V277 PolarHBondContact O-N 3.3Å; V277-T280 PolarHBondContact O-OG1 3.46Å; V277-L281 WeakPolarHBondContact O-CG 3.35Å
278L52.4Low46.4Very low111 Ų111130.8 Ų130.858%0.58169%0.686SS**Hα-helixtrans-73.8-36.2173.6-73.7170.1000112V274 E275 E276 T280 L281V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CB 3.39Å; V274-L278 WeakPolarHBondContact O-CD1 3.31Å; V274-L278 WeakPolarHBondContact O-CG 3.24Å; V274-L278 PolarHBondContact O-N 3.28Å; E275-L278 PolarHBondContact O-N 2.85Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.1Å; L278-T280 PolarHBondContact O-N 3.15Å; L278-L281 PolarHBondContact O-N 3.42Å
279Q55.8Low46.4Very low158 Ų158130.5 Ų130.574%0.73869%0.69SS**Hα-helixtrans-64.5-25.4173.5-75.4176.3-7.100113.1E275 E276 L281E275-Q279 WeakPolarHBondContact O-CG 3.42Å; E275-Q279 PolarHBondContact O-N 2.93Å; E276-Q279 PolarHBondContact O-N 3.37Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 PolarHBondContact O-N 3.3Å
280T57.9Low45.7Very low115 Ų115129.6 Ų129.671%0.70670%0.695SS**THydrogen-bonded Turntrans-79.9-2.4176-3.40000114.5E276 V277 L278E276-T280 PolarHBondContact O-N 3.44Å; E276-T280 VanDerWaalsContact O-N 3.16Å; E276-T280 PolarHBondContact O-OG1 3Å; V277-T280 PolarHBondContact O-OG1 3.46Å; L278-T280 PolarHBondContact O-N 3.15Å
281L37.8Very low45.3Very low130 Ų130129.8 Ų129.868%0.68170%0.696SS**THydrogen-bonded Turntrans-122.96.2-169.2-68176.5000115.1V277 L278 Q279 P283V277-L281 WeakPolarHBondContact O-CG 3.35Å; L278-L281 PolarHBondContact O-N 3.42Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 PolarHBondContact O-N 3.3Å; L281-P283 WeakPolarHBondContact O-CD 3.32Å
282D43.5Very low44.7Very low108 Ų108130.3 Ų130.358%0.57869%0.694SS**  trans-96.4112.7174.9-167-7.1000111.5L284D282-L284 VanDerWaalsContact C-N 3.25Å; D282-L284 PolarHBondContact O-N 2.72Å; D282-L284 PolarHBondContact OD1-N 2.82Å
283P42.9Very low43.8Very low118 Ų118130.7 Ų130.777%0.76670%0.702SS**  trans-76.42.3-174-17.233000116L281L281-P283 WeakPolarHBondContact O-CD 3.32Å
284L39.4Very low42.2Very low138 Ų138136.4 Ų136.472%0.72372%0.723SS**  trans-13478.3-167.8-67.5175.4000114.2D282D282-L284 VanDerWaalsContact C-N 3.25Å; D282-L284 PolarHBondContact O-N 2.72Å; D282-L284 PolarHBondContact OD1-N 2.82Å
285Q34.2Very low41.6Very low165 Ų165136.5 Ų136.577%0.77173%0.726SS**  trans-123.2120.5154.7-73.4-64.1-75.400109.6
286P34.3Very low40Very low112 Ų112135.3 Ų135.373%0.72772%0.72SS**  trans-75.6135.9168.631.2-31.8000110.1
287D31.1Very low38.5Very low161 Ų161140.6 Ų140.686%0.86174%0.736SS**  trans-54.9143176.7179.829.6000112.2
288R33.8Very low36.6Very low229 Ų229143.1 Ų143.186%0.86475%0.752SS**  trans-153.854.4-170.1-149.5-169.6-176.1-136.3-4.9116.6
289D29.3Very low35.6Very low160 Ų160146.3 Ų146.386%0.85676%0.763SS**  trans-138.183.3155-108.4-38.9000113.4
290A29.1Very low34.5Very low106 Ų106147 Ų14788%0.87677%0.77SS**  trans-149.485.2169.900000111.1
291L31.4Very low33.2Very low156 Ų156145.8 Ų145.882%0.81777%0.772SS**  trans-93.1115.9177.5176.778.9000111
292Q31.3Very low33Very low167 Ų167146.1 Ų146.178%0.7878%0.779SS**  trans-176.1150.9134.6-104.4161.718.400117
293T27.3Very low32.3Very low131 Ų131147.2 Ų147.280%0.80479%0.785SS**  trans59.5111.5154.550.90000121.7
294H28.1Very low31.9Very low170 Ų170150.5 Ų150.579%0.78779%0.788SS**  trans-81.5145.8153.3-151-105.6000109.2E296H294-E296 PolarHBondContact CE1-N 2.75Å; H294-E296 PolarHBondContact ND1-N 2.68Å
295P40.1Very low31.6Very low117 Ų117149.6 Ų149.676%0.7679%0.788SS**  -140.513098.535.1-20.4000112.4
296E26.8Very low31.5Very low124 Ų124149.7 Ų149.758%0.57979%0.788SS**  97.7124.579.1-154.9-150.9112.300114H294H294-E296 PolarHBondContact CE1-N 2.75Å; H294-E296 PolarHBondContact ND1-N 2.68Å
297R31.9Very low31.5Very low207 Ų207149.3 Ų149.378%0.78178%0.784SS**  trans95121.2145.9-122.1-171.8-172106.5-2.7122.1
298T30.3Very low31.5Very low123 Ų123150.9 Ų150.976%0.75579%0.785SS**  trans97130.3141.5-16.70000119.3
299H31.6Very low31.3Very low178 Ų178147.7 Ų147.782%0.82478%0.783SS**  trans-90.3148.8177.7-39.6-109.8000111.9
300I33.2Very low31.2Very low172 Ų172150.1 Ų150.188%0.88278%0.781SS**  trans-137.7146.3132.1-60.7-173.5000106.9
301A29.3Very low31.3Very low89 Ų89152.4 Ų152.474%0.73678%0.777SS**  trans-125.9137.2-179.800000112.1
302T33.5Very low31.2Very low137 Ų137152.3 Ų152.384%0.8477%0.772SS**  trans-147.596.3158.947.90000111.2
303D28.6Very low31.1Very low131 Ų131152.1 Ų152.170%0.70178%0.776SS**  trans26.5118136.3-172.222.5000120.1
304K35.3Very low31.3Very low188 Ų188153 Ų15382%0.81778%0.776SS**  -163.2103.2126.9-105.2150-169.41680114.4
305T32.3Very low31.3Very low119 Ų119149.1 Ų149.173%0.7377%0.773SS**  trans44.3129.6136.959.70000122.5
306H33.8Very low31Very low166 Ų166147.9 Ų147.977%0.76977%0.772SS**  trans99.365.7143.2-150-75.5000120.4
307T32.4Very low31.3Very low105 Ų105149.8 Ų149.864%0.64478%0.781SS**  36.3105.5127.241.40000119.1
308H31.1Very low31.1Very low193 Ų193146.6 Ų146.689%0.89478%0.779SS**  trans-124.3111.5150.1-148.4-106.9000107.3
309M31.1Very low30.9Very low163 Ų163150.5 Ų150.580%0.80378%0.782SS**  trans-108.9113.9-175.2-79-91.971.400111.2
310Y26.4Very low31Very low211 Ų211147 Ų14783%0.82777%0.773SS**  trans-85.8132.6170.6-166.1-101000108.6
311I32Very low30.8Very low153 Ų153148 Ų14879%0.78577%0.774SS**  trans-104.3108.3176.3-63.2-178.7000108.9
312Q29.5Very low30.8Very low154 Ų154150.3 Ų150.372%0.7277%0.773SS**  trans-78.6136.5171.8-179.4172.3-26.700109.6
313L29.4Very low30.6Very low163 Ų163151.9 Ų151.985%0.85377%0.77SS**  trans-80.3145.7167.9-72.489.5000109.6
314D30.3Very low30.6Very low151 Ų151151.3 Ų151.381%0.80777%0.771SS**  trans-148.5160.7161.6-141.6-35.1000110.5
315A29.1Very low30.2Very low87 Ų87146.1 Ų146.172%0.71977%0.772SS**  trans-139.9122.6-166.300000114
316A32.6Very low30.2Very low91 Ų91151.2 Ų151.275%0.75278%0.777SS**  trans-154.2114.5169.600000115.8
317H33.7Very low30.1Very low165 Ų165147.6 Ų147.676%0.76477%0.767SS**  58.4127.9125.9-64.198.2000124.8
318N28.5Very low30Very low139 Ų139150.5 Ų150.574%0.74377%0.773SS**  trans78.294.6134.3-75.2-36.8000123.9
319Y26.4Very low30Very low205 Ų205146.6 Ų146.680%0.80476%0.763SS**  63.6139.2103.8-140.6-112.6000123
320T32.1Very low29.9Very low105 Ų105145.3 Ų145.364%0.64476%0.764SS**  trans61115.5163.433.90000121
321Q29.6Very low30.1Very low194 Ų194138.8 Ų138.891%0.90775%0.753SS**  -159173.591.4-105.6-172.211.500112.7
322I29.5Very low30.1Very low137 Ų137139.2 Ų139.270%0.70375%0.752SS**  trans-118.3141.2-173.1-66.7165.3000108.5
323H29.9Very low30.3Very low169 Ų169140.4 Ų140.478%0.78276%0.757SS**  -176.1114129.4-106.2-75000117
324T28.8Very low30.4Very low119 Ų119136.5 Ų136.573%0.7375%0.748SS**  trans27.9125.8136.8600000123.8
325G26.9Very low30.6Very low80 Ų80134.3 Ų134.383%0.82574%0.741SS**  trans97.2167.813600000118.2
326R31.2Very low30.7Very low226 Ų226138.2 Ų138.285%0.85374%0.744SS**  cis-169.7132.6-20.5-172.3-166.7159.4147.4-3.3109.1
327T30.9Very low30.6Very low89 Ų89140.1 Ų140.155%0.54675%0.746SS.*  trans59136.815745.20000123.6
328H31Very low30.6Very low166 Ų166141 Ų14177%0.76975%0.75SS**  trans64.2159.3141.3-61.1-40.4000119.1
329T31.1Very low31.4Very low111 Ų111140.3 Ų140.368%0.68175%0.753SS**  cis-164.5144.3-21280000110.1
330V29.7Very low31.5Very low137 Ų137135.8 Ų135.883%0.8375%0.752SS**  trans48.9133.2134.5-177.60000121.8
331A29.6Very low31.6Very low73 Ų73134.5 Ų134.560%0.60375%0.747SS**  trans90.3109.4147.100000124.3
332H32.9Very low31.7Very low162 Ų162134.9 Ų134.975%0.7575%0.746SS**  79.1152.9119.6-66.1-53.3000124.6
333H33.9Very low31.7Very low179 Ų179135.2 Ų135.283%0.82975%0.749SS**  trans73.5151.9164.8-52-56.6000116.4
334A31.4Very low32.6Very low81 Ų81131.8 Ų131.867%0.66974%0.742SS**  cis-174.8160-16.200000108.3
335T33.2Very low32.8Very low106 Ų106131.3 Ų131.365%0.6574%0.743SS**  cis-163.9-176.5-14.422.90000108.8
336H32.5Very low34.1Very low169 Ų169133.1 Ų133.178%0.78274%0.741SS**  trans81.1146.4166.8-43.5-75.1000116.7
337T30.6Very low34.1Very low131 Ų131126.8 Ų126.880%0.80474%0.737SS**  cis-148152.53.7-17.90000112.9
338H33.4Very low34.2Very low183 Ų183128.3 Ų128.385%0.84775%0.751SS**  trans-108.9164.8164.3-81.9-64.6000108.7
339P44.6Very low34.4Very low124 Ų124130.1 Ų130.181%0.80576%0.756SS**  cis-136.6-164.447.639.9-17.4000112.9
340S29.2Very low35Very low111 Ų111130.2 Ų130.278%0.77676%0.759SS**  cis-150.3169.914.8-164.60000113.3
341S34.5Very low35.2Very low77 Ų77131.7 Ų131.754%0.53876%0.756SS.*  trans-93.8161-173.551.90000115.2
342F30.2Very low35.3Very low203 Ų203137 Ų13789%0.8977%0.769SS**  178.8165.6106.1-89.5-63.6000113.3
343D31.3Very low35Very low144 Ų144134.1 Ų134.177%0.7777%0.773SS**  trans-138.6178.2-173.7-160.230000106.5
344P48Very low35.2Very low96 Ų96136.3 Ų136.362%0.62377%0.774SS**  cis-138.7166.8-5.243.7-26.9000117.9
345S33.3Very low36.3Very low109 Ų109137 Ų13776%0.76277%0.772SS**  trans45.4177.8136-61.60000122.2
346P53.3Low36.1Very low119 Ų119138.6 Ų138.677%0.77378%0.776SS**  cis-138.4-175.7-1.244.9-27000117.9
347A31.1Very low36.4Very low93 Ų93141 Ų14177%0.76978%0.779SS**  trans81.8125.7139.500000124.5
348S34.1Very low36.8Very low120 Ų120144.6 Ų144.684%0.83978%0.783SS**  -175.4149.2115.647.40000113.3
349K34.7Very low37Very low205 Ų205146.5 Ų146.589%0.89178%0.783SS**  trans-163.2158.1174.3-94.2-169.5-175.91740112.5
350P44.4Very low36.6Very low112 Ų112144.5 Ų144.573%0.72777%0.772SS**  trans-116.6-176.416622.5-0.5000114.9
351Q34.1Very low37.1Very low168 Ų168148.8 Ų148.879%0.78577%0.771SS**  trans-64.3159.2167.9-67.182.3-600111.9
352Q31.8Very low37.2Very low184 Ų184149.7 Ų149.786%0.8678%0.777SS**  cis85.7130.323.6-67.6-164.310.100118.5
353A26.4Very low37.4Very low102 Ų102147.1 Ų147.184%0.84377%0.768SS**  trans-146.8137.4154.100000110.8
354R37.5Very low37.7Very low225 Ų225145.8 Ų145.885%0.84977%0.77SS**  trans-174.5-178.1-175.4-104-177.1179.7-175.41.5108
355P53.9Low37Very low97 Ų97148.3 Ų148.363%0.6378%0.778SS**  cis-116.1-150.4-822.54000109.9
356N30.1Very low37.2Very low138 Ų138154.4 Ų154.474%0.73878%0.784SS**  cis-143157.88.5-74.8-77.2000110
357R38.4Very low36.6Very low220 Ų220157.8 Ų157.883%0.8379%0.79SS**  cis96.254.36.6-151.3-172.4-175.4-148.82.9119.1
358K38.5Very low37Very low207 Ų207162.1 Ų162.190%0.979%0.791SS**  trans-135137151.6-70.5-178.3-179.4176.30107.5
359R37.8Very low37.2Very low222 Ų222163.1 Ų163.184%0.83879%0.792SS**  cis162.8154.6-3.9-117.6-159.4174-168.21.5102.2
360S35.4Very low37.3Very low82 Ų82160.2 Ų160.257%0.57379%0.786SS**  cis-170.51434.7430000111.9
361R40.4Very low37.4Very low201 Ų201160.5 Ų160.576%0.75879%0.788SS**  trans63.6156.8142.6-74.9-177.2176.3-179.5-3.6117.8
362S36.2Very low37.5Very low96 Ų96159 Ų15967%0.67179%0.791SS**  cis-170.2151.6-1042.90000109.7
363E34.7Very low37.9Very low150 Ų150155.9 Ų155.970%0.70179%0.786SS**  cis-164.7-157.2-19.4-120.491.8-109.900105.3
364S36.8Very low38.7Very low115 Ų115158.7 Ų158.780%0.80479%0.785SS**  trans69.6144.1169.8-690000120.1
365D33.6Very low38.6Very low150 Ų150153.8 Ų153.880%0.80278%0.78SS**  cis-151154.6-27.7-149.5-32.6000108.9
366R37.6Very low37.6Very low236 Ų236154.5 Ų154.589%0.89179%0.788SS**  trans-156.881.8-176.1-160.1175.3-170-178.62.6113.1
367E41.8Very low38Very low190 Ų190155.1 Ų155.189%0.88879%0.789SS**  trans-67.9161.6174.3-144.5177.5152.500112.6
368K38.8Very low37.7Very low184 Ų184151.3 Ų151.380%0.879%0.785SS**  trans-99144.8-171-62169.8-177.3170.80111.1
369V38.8Very low37.4Very low142 Ų142148.8 Ų148.886%0.86178%0.776SS**  trans-125.6129.3164.1-176.40000108.1
370N35.2Very low36.9Very low143 Ų143144.6 Ų144.677%0.76577%0.77SS**  trans-89.4145.8-179.5-64.2-33.2000111
371P47.1Very low36.5Very low118 Ų118145.5 Ų145.577%0.76678%0.777SS**  trans-107.2114.8-178.935.9-28.6000114.3
372V36.8Very low36.1Very low138 Ų138140.7 Ų140.784%0.83677%0.774SS**  trans-176.1160.6158.2-98.40000109.2
373P40Very low36.3Very low117 Ų117141.6 Ų141.676%0.7678%0.778SS**  cis-124.4-169.4-34.137.7-21.6000111.2
374I43.4Very low36.1Very low162 Ų162142.7 Ų142.783%0.83178%0.783SS**  trans-119.8128.4176-61172.4000110.6
375T34.5Very low35.5Very low121 Ų121140.7 Ų140.774%0.74277%0.768SS**  trans-153.5111.7159.147.40000112.5
376S32.8Very low35.2Very low113 Ų113141.2 Ų141.279%0.7977%0.766SS**  trans63.4169.4146.1-45.80000118.1
377I38.5Very low34.9Very low150 Ų150137.3 Ų137.377%0.76976%0.761SS**  cis-131.3160.211.7-61.3168.1000111.3
378L32.2Very low34.5Very low141 Ų141134.2 Ų134.274%0.73876%0.757SS**  trans-56.3161.1172.8-57.8160.6000115.5
379H32.8Very low34Very low154 Ų154131.4 Ų131.471%0.71376%0.756SS**  174.6124.1108.1-86.195.1000108.4
380D26.5Very low34.2Very low133 Ų133130 Ų13071%0.71175%0.75SS**  81.5142.879.2-108.3-51.7000113.4
381S28.1Very low33.8Very low102 Ų102127.4 Ų127.471%0.71375%0.748SS**  cis-146.6175.55.3-59.50000112.6
382S31.6Very low32.9Very low100 Ų100129.4 Ų129.470%0.69975%0.746SS**  trans-104160.4158-168.90000110.3
383P40.6Very low32.5Very low115 Ų115127.9 Ų127.975%0.74774%0.738SS**  -130.616397.36.917.1000112.7
384Q29.5Very low31.9Very low173 Ų173130.6 Ų130.681%0.80874%0.74SS**  61.5142.766.1-84.7-171.6-113.800115.1
385S25.6Very low31.3Very low72 Ų72130.9 Ų130.950%0.50374%0.738SS.*  cis-171.3-178.8-3.935.70000113.4
386H27Very low31.1Very low162 Ų162132 Ų13275%0.7575%0.745SS**  trans82.9104.1158.3-50.5-64000122.8
387I30.6Very low30.8Very low154 Ų154135.4 Ų135.479%0.7975%0.745SS**  11.8130.3109.8-70.5171.1000115.7
388P33.7Very low30.6Very low124 Ų124135.1 Ų135.181%0.80575%0.745SS**  -148.3162.67741.2-23000120.1
389T29.6Very low30.8Very low125 Ų125134.4 Ų134.477%0.76775%0.748SS**  trans-71.5165.5161-7.10000111.2
390P41.4Very low30.8Very low114 Ų114134.9 Ų134.974%0.7475%0.753SS**  -154177.770.642.2-22000117.3
391A27.4Very low31.6Very low87 Ų87134.1 Ų134.172%0.71976%0.755SS**  trans60.1152.7137.700000120.9
392H29.3Very low32.5Very low160 Ų160135 Ų13574%0.74176%0.758SS**  cis-162.1142.1-14.4-143.6-98.2000110.6
393T26.7Very low32.5Very low107 Ų107137.7 Ų137.766%0.65676%0.764SS**  trans58.9170.315733.50000118.3
394Q28.1Very low32Very low173 Ų173137.2 Ų137.281%0.80877%0.77SS**  cis-147.1179.94.7-138.2154.54500113.4
395H31Very low32.2Very low169 Ų169134.3 Ų134.378%0.78276%0.764SS**  trans-54.9161.3179.7-86.4-136.6000117.4
396T29.6Very low33Very low145 Ų145136.6 Ų136.689%0.8978%0.776SS**  -158.8156.6122.5-76.70000111
397K27.6Very low33.2Very low183 Ų183132 Ų13280%0.79677%0.767SS**  trans-88.1152.5-172.6-80.9177.8174.2175.20115.1
398L33.4Very low33.5Very low145 Ų145132.6 Ų132.676%0.75977%0.766SS**  trans2.3143.9134.7-88.1161.1000119M400L398-M400 HydrophobicContact CD2-CG 4.11Å
399P36.3Very low33.5Very low125 Ų125132.4 Ų132.481%0.81276%0.763SS**  -141.9167.283.738.6-23.9000117.6
400M33.3Very low33.6Very low164 Ų164137 Ų13781%0.80877%0.768SS**  trans-100.5161.8164.4-48.2-172.4-60.700109.8L398L398-M400 HydrophobicContact CD2-CG 4.11Å
401P44.1Very low33.1Very low117 Ų117136 Ų13676%0.7676%0.763SS**  -154.9-158.583.541.9-21.5000113.2
402P46.3Very low33.5Very low120 Ų120137 Ų13778%0.77977%0.765SS**  cis-120.4-163.9-39.522.80.6000113.2
403L31.6Very low34Very low158 Ų158138.9 Ų138.983%0.82777%0.771SS**  trans-82.1158.1-168.1-64.772.2000117.2
404A30.1Very low34.8Very low104 Ų104139.8 Ų139.886%0.8678%0.779SS**  trans-151.6152136.100000110.6
405V32.8Very low35Very low113 Ų113139.6 Ų139.669%0.68578%0.784SS**  trans-141.4143.8-169.2-157.90000110.7
406P43.5Very low34.8Very low119 Ų119135.5 Ų135.577%0.77379%0.787SS**  -131.1136.7104.28.913.3000111.7
407A31.8Very low34.8Very low67 Ų67132.7 Ų132.755%0.55478%0.779SS**  74.7137.363.700000112.9
408H36.3Very low34.9Very low166 Ų166133.8 Ų133.877%0.76978%0.784SS**  cis-148152.323.2-56.5-107.5000114.6
409T32.6Very low35.3Very low119 Ų119132.7 Ų132.773%0.7379%0.785SS**  trans42.9126.7146.352.20000123.1
410Y33.5Very low34.8Very low223 Ų223135.6 Ų135.688%0.87579%0.785SS**  72.7145.868.1-87.7-79.4000114.7
411S31.1Very low34.6Very low91 Ų91135.7 Ų135.764%0.63678%0.783SS**  cis-161.8148.412-159.40000115.8
412S35.6Very low33.8Very low110 Ų110136.1 Ų136.177%0.76979%0.789SS**  trans59.7165.7137.6-58.10000126.6
413F38.8Very low33.4Very low198 Ų198140.6 Ų140.687%0.86879%0.79SS**  trans-91.3179.5-174.8-50.8-97.5000114.3
414P43.4Very low33.7Very low127 Ų127138.8 Ų138.883%0.82579%0.788SS**  -149.5-17490.540.8-22.8000116.8
415N31.6Very low33.8Very low169 Ų169136.8 Ų136.890%0.90477%0.771SS**  trans-89.7165.6177.8-62.2-43.3000113.5
416G28.4Very low34Very low83 Ų83138.4 Ų138.486%0.85677%0.772SS**  trans176.9123.416700000116.7
417A29.4Very low33.2Very low86 Ų86138.7 Ų138.771%0.71177%0.766SS**  trans-92.1165.7-16600000117.8
418F29.2Very low33.5Very low206 Ų206142.2 Ų142.290%0.90477%0.771SS**  trans51.6138.9155.2-61.2-59.9000123.4
419P41.6Very low33.4Very low121 Ų121140.6 Ų140.679%0.78677%0.768SS**  trans-115.2136.2174.338.3-27.9000115.4
420K26.3Very low33.6Very low186 Ų186143.7 Ų143.781%0.80977%0.771SS**  trans-147.7131.3160.8-87.3-163.1172-1800114.7
421H29.9Very low33.4Very low166 Ų166136.7 Ų136.777%0.76977%0.768SS**  trans27.3124.2154.7-39.5-64.7000123
422S27.3Very low33.4Very low126 Ų126137.5 Ų137.588%0.88178%0.78SS**  trans-155.5150.3130.162.40000111.6
423R36.5Very low33.6Very low215 Ų215144 Ų14481%0.81179%0.787SS**  trans-160.3144.3177.4-157.4-152.3-177.7-164.62.3108.6
424P38.8Very low33.3Very low120 Ų120145 Ų14578%0.77979%0.791SS**  -125.8151.3104.6-1.123.4000112
425A32.1Very low32.8Very low61 Ų61147.1 Ų147.150%0.50479%0.79SS.*  67.9140.474.500000113.1
426Q36.3Very low32.7Very low148 Ų148145.3 Ų145.369%0.69279%0.785SS**  cis-149158.34.2-138.2173.4-102.400108.4
427N27Very low32.9Very low124 Ų124147.8 Ų147.866%0.66378%0.778SS**  -171.7145.580.9-107.7-25.2000115.2
428H38.5Very low33.6Very low142 Ų142149.2 Ų149.266%0.65778%0.78SS**  trans23.9131.4152.9-61.6-31.9000123.9
429N34.3Very low33.5Very low132 Ų132144 Ų14471%0.70677%0.769SS**  96.3139.753.2-113.4-13.5000111.9
430K35.3Very low33.1Very low183 Ų183142.8 Ų142.880%0.79676%0.764SS**  cis-135.2161.3-0.4-72.4173.9-178.3174.70107.9
431G30Very low33.4Very low77 Ų77143.9 Ų143.979%0.79477%0.768SS**  81.9141.868.500000112.1
432A31.3Very low33.5Very low108 Ų108145.6 Ų145.689%0.89377%0.774SS**  cis-161.3-178.2-0.300000111
433R40.4Very low34.3Very low246 Ų246144.7 Ų144.793%0.92877%0.765SS**  trans-100.5140.5172.6-67.9-174.1-179.3-144.84.3112.7
434K32.3Very low34.2Very low219 Ų219143 Ų14395%0.95277%0.766SS**  trans-149.1176.7150.6-76.9-156.7176.8-178.60110.4
435H32.8Very low33.9Very low171 Ų171140.5 Ų140.579%0.79276%0.755SS**  trans-146.4141.3-164.2158.5-76.2000111.2
436V29.8Very low33.9Very low131 Ų131147.6 Ų147.679%0.79478%0.775SS**  trans170.8150.2150.7144.90000111
437D32.1Very low33.6Very low136 Ų136145.3 Ų145.373%0.72778%0.781SS**  trans-70.2-179.9176-106.4-88.5000113.7
438P43.3Very low33.9Very low115 Ų115151 Ų15175%0.74779%0.793SS**  cis-147.8168.924.145.4-24.9000121
439S26.8Very low33.6Very low97 Ų97150.3 Ų150.368%0.67880%0.804SS**  trans68.1108.9137.6-154.90000125.8
440S33.2Very low33.3Very low95 Ų95147.6 Ų147.666%0.66481%0.808SS**  trans73.2122.5130.679.80000124.2
441K33Very low33Very low209 Ų209143.1 Ų143.191%0.90981%0.813SS**  -177.9169.9116.2-95.3158.5-173.1172.50112.5
442K32.3Very low32.9Very low202 Ų202143 Ų14388%0.87881%0.812SS**  trans-115175.5-169.3-91.7179.9-178.3172.90111.4
443P44.5Very low32.9Very low107 Ų107142.5 Ų142.570%0.69580%0.802SS**  cis-119.9-138.710.532.9-9.4000111.8
444H34Very low32.3Very low179 Ų179139.8 Ų139.883%0.82980%0.797SS**  cis-164.3177.50.2-129.5-4.6000107.6
445A32Very low32.4Very low68 Ų68136.1 Ų136.156%0.56279%0.793SS**  cis-160.9150.6-11.700000110.1
446K32.5Very low32.3Very low211 Ų211136.4 Ų136.492%0.91779%0.792SS**  trans59.4151.2164.9-70-179178.1177.50117.9
447A30.4Very low32.3Very low99 Ų99136 Ų13682%0.81879%0.786SS**  cis-156.2163-21.600000110.3
448R33.2Very low32.2Very low244 Ų244139.3 Ų139.392%0.92179%0.788SS**  trans-94.9150.2179-86174152.9-171.4-5112.9
449S32Very low31.6Very low127 Ų127138.3 Ų138.389%0.88878%0.784SS**  171.7159.8124.8-77.30000109.6
450G28.8Very low31.9Very low76 Ų76141.8 Ų141.878%0.78479%0.787SS**  cis145.5114.72.200000108.9
451G27.4Very low31.8Very low88 Ų88141.9 Ų141.991%0.90778%0.78SS**  trans-90.6164.5-166.900000115.9
452G28.9Very low31.8Very low75 Ų75139.2 Ų139.277%0.77377%0.77SS**  trans-171.5103.4178.300000116.4
453S31.7Very low32Very low98 Ų98140.6 Ų140.669%0.68577%0.77SS**  trans-11162.1157.363.80000123.1
454K28.2Very low32.2Very low189 Ų189140.7 Ų140.782%0.82277%0.771SS**  trans87.2155.1165-50.8169-174.4174.30113.9
455T32.8Very low32Very low141 Ų141138.3 Ų138.387%0.86577%0.769SS**  cis-148.6179.97.1-20.50000112.8
456K30.6Very low32.1Very low177 Ų177140.1 Ų140.177%0.7778%0.778SS**  trans-99.2129.8179.5152.9-114.5178.9-165.90112.7
457D29.7Very low32.2Very low123 Ų123133.4 Ų133.466%0.65877%0.768SS**  trans171.5176.5135.8-114.1-127.7000107.7
458R31.1Very low32.3Very low206 Ų206134.8 Ų134.878%0.77777%0.77SS**  cis167.1156.5-43.3-170.9178.9-179.4-119.2-0.8105
459S30.8Very low32.3Very low94 Ų94129.7 Ų129.766%0.65777%0.766SS**  trans75.1131.8177.4-63.10000114.8
460K32.3Very low32.5Very low170 Ų170130.6 Ų130.674%0.73976%0.76SS**  71.7135.669.3-100179.7152.6-84.70111.6
461D30.8Very low32.8Very low97 Ų97133.2 Ų133.252%0.51976%0.763SS.*  cis-153.6165.819.8-112.5-61000112.9
462Q34.8Very low33.3Very low152 Ų152132.8 Ų132.871%0.7175%0.751SS**  trans49.8125.3147.6-70.3160.37200121.2
463R36.6Very low33.9Very low231 Ų231134.9 Ų134.987%0.87275%0.751SS**  72.5156.768.7-89.7-168.8175.9-166.80.5115
464P46.8Very low34.3Very low110 Ų110135.7 Ų135.771%0.71475%0.754SS**  cis-121-167-21.937.3-18.5000110.4
465T30.4Very low35.1Very low128 Ų128133.4 Ų133.479%0.78576%0.755SS**  cis-148-171.68.6-22.30000105.9
466S34.9Very low35.7Very low107 Ų107137.1 Ų137.175%0.74875%0.754SS**  cis-153.9167.3-3.1-150.20000107.2
467G33.5Very low36.7Very low69 Ų69133.9 Ų133.971%0.71175%0.751SS**  cis114.3106.2-0.100000112.9
468C32.6Very low37.4Very low128 Ų128133.9 Ų133.987%0.86576%0.757SS**  trans-139.9173.1167.2-165.80000108.8
469V34.8Very low38Very low138 Ų138133.7 Ų133.784%0.83676%0.758SS**  trans-67.6153.1-155.4-174.30000115.9
470L35Very low39Very low145 Ų145138.4 Ų138.476%0.75977%0.767SS**  trans-81.2163.7178-69.6167.5000112.9
471P34.7Very low39.3Very low131 Ų131139.4 Ų139.485%0.85177%0.771SS**  -120.5162.483.4-3.825000115.5
472A37.7Very low40.2Very low79 Ų79139.5 Ų139.565%0.65378%0.777SS**  trans-110.9171.7165.700000108.5
473P42.5Very low41.2Very low120 Ų120138.3 Ų138.378%0.77978%0.78SS**  cis-128.8-161.219.743.3-23.4000111.8
474P40.3Very low42.2Very low114 Ų114135.9 Ų135.974%0.7478%0.779SS**  cis-124.8172.2-1.142.3-27.3000116.6R476P474-R476 PolarHBondContact O-N 3.03Å
475V45.3Very low42.7Very low141 Ų141136.7 Ų136.786%0.85577%0.771SS**PPolyproline II helixtrans-66.9125.6-176.6179.40000111.5
476R44.2Very low44.1Very low219 Ų219141 Ų14183%0.82678%0.778SS**PPolyproline II helixtrans-81.2135166.4-62.8-178.6-176.9177.61.2109.5P474P474-R476 PolarHBondContact O-N 3.03Å
477P52.5Low45.3Very low109 Ų109137 Ų13771%0.70875%0.754SS**PPolyproline II helixtrans-62.6154.9174.726.8-34.3000111.3Y479P477-Y479 PolarHBondContact O-N 3.09Å
478P43.4Very low46.4Very low123 Ų123134.8 Ų134.880%0.79973%0.728SS**PPolyproline II helixtrans-61.8125.7-170.723.8-34.1000112.1K480P478-K480 PolarHBondContact O-N 3.08Å
479Y43.9Very low47.6Very low203 Ų203136.5 Ų136.580%0.79672%0.721SS**  trans-6891.7-177.5-132.6-92.8000110.5P477 K481 P482P477-Y479 PolarHBondContact O-N 3.09Å; Y479-K481 PolarHBondContact O-N 3.28Å; Y479-P482 HydrophobicContact CE1-CG 4.42Å
480K51.7Low48.9Very low193 Ų193130.8 Ų130.884%0.83969%0.687SS**PPolyproline II helixtrans-58.4125.1164.3-72.8-172.8177.7-179.20107.3P478P478-K480 PolarHBondContact O-N 3.08Å
481K40Very low49.9Very low190 Ų190124.2 Ų124.283%0.82665%0.653SS**PPolyproline II helixtrans-50.7124.9178.3-66.8-176.2178.7-176.90109Y479 V483Y479-K481 PolarHBondContact O-N 3.28Å; K481-V483 PolarHBondContact O-N 3.26Å
482P48.7Very low50.9Low99 Ų99126 Ų12664%0.64364%0.643SS**PPolyproline II helixtrans-56.5124175.4-25.534.8000110.1Y479 E484Y479-P482 HydrophobicContact CE1-CG 4.42Å; P482-E484 PolarHBondContact O-N 3.13Å
483V55.4Low51.6Low128 Ų128126.5 Ų126.578%0.77665%0.647SS**PPolyproline II helixtrans-61129.5170.7177.60000107.6K481 K485K481-V483 PolarHBondContact O-N 3.26Å; V483-K485 WeakPolarHBondContact O-CG 3.5Å; V483-K485 PolarHBondContact O-N 3.28Å
484E57.3Low52Low180 Ų180124.7 Ų124.784%0.84164%0.635SS**  trans-63.799.2-175.4-65.9-172.5158.100111P482 K486P482-E484 PolarHBondContact O-N 3.13Å; E484-K486 PolarHBondContact O-N 3.28Å
485K58.9Low52.3Low126 Ų126128.6 Ų128.655%0.54864%0.643SS.*  trans-68.5103.3-174.4-57.6-166.8-176.3-165.50110.3V483 G487 D518V483-K485 WeakPolarHBondContact O-CG 3.5Å; V483-K485 PolarHBondContact O-N 3.28Å; K485-G487 PolarHBondContact O-N 3.03Å; K485-D518 HydrophobicContact CD-CB 4.15Å; K485-D518 WeakPolarHBondContact CD-OD1 3.47Å; K485-D518 WeakPolarHBondContact CE-OD1 3.42Å; K485-D518 IonicContact NZ-OD1 2.63Å; K485-D518 PolarHBondContact NZ-OD1 3.1Å
486K58.9Low52.4Low218 Ų218128.8 Ų128.895%0.94864%0.639SS**  trans-68.763.6171.5-68.7-175.2177.8179.20111.6E484E484-K486 PolarHBondContact O-N 3.28Å
487G59.8Low52.7Low23 Ų23120.8 Ų120.824%0.23762%0.616CS.*  trans-85.6159.4-176.200000114.6K485 I520K485-G487 PolarHBondContact O-N 3.03Å; G487-I520 WeakPolarHBondContact O-CD1 3.39Å
488C57.9Low52.8Low24 Ų24119.5 Ų119.516%0.16261%0.609CS.*  trans-74.6143.9178.6-179.50000113.4C490 R506 P508 C519 I520C488-C490 PolarHBondContact SG-N 3.04Å; C488-R506 PolarHBondContact SG-O 3.4Å; C488-P508 HydrophobicContact CB-CG 4.28Å; C488-P508 WeakPolarHBondContact SG-CD 3.47Å; C488-C519 PolarHBondContact N-SG 2.9Å; C488-C519 VanDerWaalsContact N-SG 3.43Å; C488-I520 WeakPolarHBondContact O-CG1 3.46Å
489K56.9Low53.1Low164 Ų164119 Ų11971%0.71360%0.604SS**  trans-87.210.9176.5-63.5173.9-176.3-92.70114.8G491 R492K489-G491 VanDerWaalsContact C-N 3.29Å; K489-G491 PolarHBondContact O-N 3.18Å; K489-R492 PolarHBondContact O-N 3.34Å; K489-R492 VanDerWaalsContact O-N 3.12Å
490C61.6Low53.5Low18 Ų18114.5 Ų114.512%0.12259%0.593CS.*G310 helixtrans-52.8-43.3-173.357.20000113.4C488 R492 T501 C502 R506C488-C490 PolarHBondContact SG-N 3.04Å; C490-R492 PolarHBondContact O-N 3.3Å; C490-T501 WeakPolarHBondContact O-CG2 3.48Å; C490-C502 VanDerWaalsContact C-SG 3.6Å; C490-C502 HydrophobicContact CB-CB 4.24Å; C490-C502 WeakPolarHBondContact CB-SG 3.37Å; C490-C502 WeakPolarHBondContact SG-CB 3.32Å; C490-C502 CovalentContact SG-SG 2.05Å; C490-C502 PolarHBondContact SG-SG 3.06Å; C490-R506 HydrophobicContact CB-CB 4.43Å
491G56.9Low53.6Low6 Ų6107.2 Ų107.26%0.06256%0.564CS.*G310 helixtrans-92.432.1-179.700000115.3K489 C502K489-G491 VanDerWaalsContact C-N 3.29Å; K489-G491 PolarHBondContact O-N 3.18Å; G491-C502 PolarHBondContact N-SG 2.83Å
492R54.8Low54.4Low168 Ų16898.2 Ų98.263%0.63453%0.525SS*.G310 helixtrans-121.98179.5-69.4-169.6177.6-127.24.6114.9K489 C490K489-R492 PolarHBondContact O-N 3.34Å; K489-R492 VanDerWaalsContact O-N 3.12Å; C490-R492 PolarHBondContact O-N 3.3Å
493A53.5Low54.9Low90 Ų9097.3 Ų97.374%0.74451%0.509SS*.SBendtrans-83.4-13.6-17500000114.9
494T49.4Very low55.4Low83 Ų8391.9 Ų91.951%0.50948%0.479SS..SBendtrans-138152.5-179.756.60000111.2N496 P497T494-N496 VanDerWaalsContact C-N 3.29Å; T494-N496 VanDerWaalsContact OG1-C 3.25Å; T494-N496 PolarHBondContact OG1-O 3.26Å; T494-P497 WeakPolarHBondContact OG1-CA 3.41Å
495Q47Very low55.5Low195 Ų19590.3 Ų90.391%0.91147%0.472SS*.SBendtrans-67.6-31.8176.2-168.4170.12.400111.9
496N47.1Very low56Low146 Ų14694.4 Ų94.478%0.78148%0.484SS*.SBendtrans-11397.6165.8-72.5-51.2000109.3T494 S498T494-N496 VanDerWaalsContact C-N 3.29Å; T494-N496 VanDerWaalsContact OG1-C 3.25Å; T494-N496 PolarHBondContact OG1-O 3.26Å; N496-S498 PolarHBondContact O-N 2.86Å
497P51.3Low56.7Low51 Ų5184 Ų8433%0.33144%0.439SS..  trans-75.5119.6171.929.4-31.9000109.5T494T494-P497 WeakPolarHBondContact OG1-CA 3.41Å
498S53.7Low57.4Low81 Ų8186 Ų8657%0.56645%0.447SS*.  trans-67.8158.5175.768.90000111N496 L500 T501N496-S498 PolarHBondContact O-N 2.86Å; S498-L500 PolarHBondContact O-N 2.9Å; S498-T501 PolarHBondContact N-OG1 3.45Å; S498-T501 PolarHBondContact O-N 3.37Å; S498-T501 VanDerWaalsContact O-N 3.1Å; S498-T501 PolarHBondContact O-OG1 3.48Å
499V50.2Low58.4Low113 Ų11386.4 Ų86.469%0.68545%0.45SS*.THydrogen-bonded Turntrans-57.8-13.2-172.4-178.40000113.8
500L51.9Low59.4Low109 Ų10981.3 Ų81.357%0.57143%0.427SS*.THydrogen-bonded Turntrans-100.8-4.3-175.9-55.2177.2000114.6S498 C502 R503S498-L500 PolarHBondContact O-N 2.9Å; L500-C502 PolarHBondContact O-N 2.89Å; L500-R503 WeakPolarHBondContact O-CB 3.46Å; L500-R503 PolarHBondContact O-N 3.42Å
501T54.6Low60.1Low39 Ų3982.7 Ų82.724%0.23944%0.437CS..THydrogen-bonded Turntrans-59.1-25.9-162.3-51.10000115.2C490 S498C490-T501 WeakPolarHBondContact O-CG2 3.48Å; S498-T501 PolarHBondContact N-OG1 3.45Å; S498-T501 PolarHBondContact O-N 3.37Å; S498-T501 VanDerWaalsContact O-N 3.1Å; S498-T501 PolarHBondContact O-OG1 3.48Å
502C56.9Low61Low1 Ų187.7 Ų87.71%0.00746%0.462CS..THydrogen-bonded Turntrans-123.245178.9-63.40000112.9C490 G491 L500 C524C490-C502 VanDerWaalsContact C-SG 3.6Å; C490-C502 HydrophobicContact CB-CB 4.24Å; C490-C502 WeakPolarHBondContact CB-SG 3.37Å; C490-C502 WeakPolarHBondContact SG-CB 3.32Å; C490-C502 CovalentContact SG-SG 2.05Å; C490-C502 PolarHBondContact SG-SG 3.06Å; G491-C502 PolarHBondContact N-SG 2.83Å; L500-C502 PolarHBondContact O-N 2.89Å; C502-C524 HydrophobicContact CB-CB 4.16Å; C502-C524 PolarHBondContact O-SG 3.18Å
503R58Low62.2Low80 Ų8088 Ų8830%0.30246%0.463SS..SBendtrans-106.451.1179.9-160.1175.1-169.4157.5-9.7113.7L500 Q525 E537 A540L500-R503 WeakPolarHBondContact O-CB 3.46Å; L500-R503 PolarHBondContact O-N 3.42Å; R503-Q525 HydrophobicContact CG-CB 4.23Å; R503-E537 IonicContact CZ-OE2 3.46Å; R503-E537 IonicContact NE-OE1 3.95Å; R503-E537 IonicContact NE-OE2 3.39Å; R503-E537 PolarHBondContact NE-OE2 3.05Å; R503-E537 IonicContact NH2-OE1 3.91Å; R503-E537 IonicContact NH2-OE2 2.69Å; R503-E537 PolarHBondContact NH2-OE2 2.96Å; R503-A540 VanDerWaalsContact NH2-CB 3.31Å
504G66.6Low63.5Low15 Ų1590.4 Ų90.416%0.15546%0.457CS..SBendtrans161-155.9176.700000115R506 C507G504-R506 PolarHBondContact O-N 3.01Å; G504-C507 PolarHBondContact O-N 3.39Å
505Q60.1Low65Low146 Ų14687.4 Ų87.468%0.68244%0.44SS*.THydrogen-bonded Turntrans-55.7-12.6-171.7-67.5-7218.300116.4C507 S511Q505-C507 PolarHBondContact O-N 3.12Å; Q505-S511 PolarHBondContact O-OG 2.7Å; Q505-S511 PolarHBondContact OE1-OG 2.97Å
506R68.7Low66.3Low212 Ų21279.7 Ų79.780%0.841%0.408SS*.THydrogen-bonded Turntrans-72.8-11170.9-64.4-173.3-177.4-82.71.2113.1C488 C490 G504C488-R506 PolarHBondContact SG-O 3.4Å; C490-R506 HydrophobicContact CB-CB 4.43Å; G504-R506 PolarHBondContact O-N 3.01Å
507C74.6Confident67.6Low0 Ų078.8 Ų78.80%040%0.402CS..SBendtrans-103112.8174.1-171.70000110.8G504 Q505 C509 Y510 S511G504-C507 PolarHBondContact O-N 3.39Å; Q505-C507 PolarHBondContact O-N 3.12Å; C507-C509 PolarHBondContact O-N 3.4Å; C507-C509 VanDerWaalsContact O-N 3.11Å; C507-Y510 WeakPolarHBondContact O-CA 3.34Å; C507-Y510 WeakPolarHBondContact O-CB 3.49Å; C507-Y510 PolarHBondContact O-N 2.71Å; C507-S511 PolarHBondContact O-N 3.39Å; C507-S511 PolarHBondContact O-OG 3.39Å
508P74.4Confident68.5Low64 Ų6481 Ų8142%0.41641%0.412SS..Hα-helixtrans-55.8-26.6175.8-2835.5000114.6C488 N512C488-P508 HydrophobicContact CB-CG 4.28Å; C488-P508 WeakPolarHBondContact SG-CD 3.47Å; P508-N512 WeakPolarHBondContact O-CB 3.11Å; P508-N512 PolarHBondContact O-N 2.9Å; P508-N512 PolarHBondContact O-ND2 3.35Å
509C78.3Confident69.2Low33 Ų3378.4 Ų78.422%0.22339%0.393CS..Hα-helixtrans-65.4-45.7173.3-58.60000110.8C507 N512 R513 K514 C516C507-C509 PolarHBondContact O-N 3.4Å; C507-C509 VanDerWaalsContact O-N 3.11Å; C509-N512 CarbonylContact O-C 3.26Å; C509-N512 PolarHBondContact O-N 2.89Å; C509-R513 PolarHBondContact O-N 3.46Å; C509-R513 VanDerWaalsContact O-N 3.1Å; C509-K514 CarbonylContact C-O 3.58Å; C509-K514 VanDerWaalsContact C-O 3.26Å; C509-K514 WeakPolarHBondContact CB-O 3.37Å; C509-K514 PolarHBondContact O-N 3.26Å; C509-C516 WeakPolarHBondContact CB-SG 3.46Å
510Y77.3Confident70Confident57 Ų5775.9 Ų75.922%0.22438%0.375CS..Hα-helixtrans-62.5-47.6175.1-176.5-84.6000111.7C507 N512 R513 N526 Y528C507-Y510 WeakPolarHBondContact O-CA 3.34Å; C507-Y510 WeakPolarHBondContact O-CB 3.49Å; C507-Y510 PolarHBondContact O-N 2.71Å; Y510-N512 VanDerWaalsContact C-N 3.31Å; Y510-N512 PolarHBondContact O-N 3.19Å; Y510-R513 PolarHBondContact O-N 3.28Å; Y510-N526 WeakPolarHBondContact CD2-OD1 3.11Å; Y510-Y528 HydrophobicContact CD2-CD2 4.12Å; Y510-Y528 HydrophobicContact CD2-CE2 4.13Å; Y510-Y528 HydrophobicContact CE2-CE2 4.29Å; Y510-Y528 HydrophobicContact CG-CE2 4.4Å; Y510-Y528 WeakPolarHBondContact O-CE2 3.23Å
511S77.1Confident70.7Confident48 Ų4871.6 Ų71.634%0.33635%0.354SS..Hα-helixtrans-61.5-37.9177.5-53.70000112.7Q505 C507 R513Q505-S511 PolarHBondContact O-OG 2.7Å; Q505-S511 PolarHBondContact OE1-OG 2.97Å; C507-S511 PolarHBondContact O-N 3.39Å; C507-S511 PolarHBondContact O-OG 3.39Å; S511-R513 VanDerWaalsContact C-N 3.26Å; S511-R513 PolarHBondContact O-N 2.69Å
512N76.3Confident71.1Confident110 Ų11079 Ų7959%0.58838%0.377SS*.THydrogen-bonded Turntrans-85.211.2175.5-65.9-42.9000113.7P508 C509 Y510 K514P508-N512 WeakPolarHBondContact O-CB 3.11Å; P508-N512 PolarHBondContact O-N 2.9Å; P508-N512 PolarHBondContact O-ND2 3.35Å; C509-N512 CarbonylContact O-C 3.26Å; C509-N512 PolarHBondContact O-N 2.89Å; Y510-N512 VanDerWaalsContact C-N 3.31Å; Y510-N512 PolarHBondContact O-N 3.19Å; N512-K514 WeakPolarHBondContact O-CG 3.38Å; N512-K514 PolarHBondContact O-N 3.49Å
513R80Confident71.2Confident175 Ų17581.4 Ų81.466%0.6640%0.403SS*.THydrogen-bonded Turntrans54.542.9177.6-50.1-170-177-134.45.6114.6C509 Y510 S511 Y528C509-R513 PolarHBondContact O-N 3.46Å; C509-R513 VanDerWaalsContact O-N 3.1Å; Y510-R513 PolarHBondContact O-N 3.28Å; S511-R513 VanDerWaalsContact C-N 3.26Å; S511-R513 PolarHBondContact O-N 2.69Å; R513-Y528 HydrophobicContact CB-CD1 4.23Å; R513-Y528 HydrophobicContact CB-CE1 3.73Å; R513-Y528 HydrophobicContact CB-CE2 4.27Å; R513-Y528 HydrophobicContact CG-CE1 4.22Å; R513-Y528 HydrophobicContact CG-CE2 4.38Å
514K79.8Confident71.7Confident140 Ų14079.6 Ų79.661%0.60940%0.402SS*.  trans-135152.4-176.2-73173.1-175.2-175.70111.8C509 N512 N526C509-K514 CarbonylContact C-O 3.58Å; C509-K514 VanDerWaalsContact C-O 3.26Å; C509-K514 WeakPolarHBondContact CB-O 3.37Å; C509-K514 PolarHBondContact O-N 3.26Å; N512-K514 WeakPolarHBondContact O-CG 3.38Å; N512-K514 PolarHBondContact O-N 3.49Å; K514-N526 PolarHBondContact O-ND2 2.05Å
515A81Confident71.8Confident20 Ų2082.5 Ų82.517%0.16541%0.411CS..  trans-64157.1175.600000114.2L517 Y528 M529A515-L517 VanDerWaalsContact C-N 3.3Å; A515-L517 HydrophobicContact CB-CD2 3.94Å; A515-L517 HydrophobicContact CB-CG 3.89Å; A515-L517 PolarHBondContact O-N 3.25Å; A515-Y528 VanDerWaalsContact CA-O 3.31Å; A515-Y528 WeakPolarHBondContact CA-O 3.36Å; A515-Y528 WeakPolarHBondContact CB-O 3.49Å; A515-M529 WeakPolarHBondContact CB-O 3.13Å
516C75.5Confident72.5Confident34 Ų3476.6 Ų76.623%0.2339%0.385CS..  trans-8944.4176.2-72.70000113.6C509 D518 C519 C524 N526C509-C516 WeakPolarHBondContact CB-SG 3.46Å; C516-D518 VanDerWaalsContact C-N 3.25Å; C516-D518 PolarHBondContact O-N 3Å; C516-C519 HydrophobicContact CB-CB 4.12Å; C516-C524 PolarHBondContact SG-SG 3.12Å; C516-N526 PolarHBondContact SG-ND2 2.69Å
517L73.6Confident72.9Confident126 Ų12667.2 Ų67.266%0.6635%0.352SS*.THydrogen-bonded Turntrans-58.6-35.1-174.8-56-179.9000113.4A515 A530A515-L517 VanDerWaalsContact C-N 3.3Å; A515-L517 HydrophobicContact CB-CD2 3.94Å; A515-L517 HydrophobicContact CB-CG 3.89Å; A515-L517 PolarHBondContact O-N 3.25Å; L517-A530 HydrophobicContact CD1-CB 4.25Å; L517-A530 HydrophobicContact CD2-CB 4.06Å
518D69.1Low73.1Confident99 Ų9968.6 Ų68.653%0.52936%0.357SS..THydrogen-bonded Turntrans-126.219.1-175.6-81.6-61000114.1K485 C516K485-D518 HydrophobicContact CD-CB 4.15Å; K485-D518 WeakPolarHBondContact CD-OD1 3.47Å; K485-D518 WeakPolarHBondContact CE-OD1 3.42Å; K485-D518 IonicContact NZ-OD1 2.63Å; K485-D518 PolarHBondContact NZ-OD1 3.1Å; C516-D518 VanDerWaalsContact C-N 3.25Å; C516-D518 PolarHBondContact O-N 3Å
519C68.8Low73.2Confident25 Ų2570 Ų7017%0.16936%0.359CS..  trans-73.2140.5178.2-169.70000112.3C488 C516 C521C488-C519 PolarHBondContact N-SG 2.9Å; C488-C519 VanDerWaalsContact N-SG 3.43Å; C516-C519 HydrophobicContact CB-CB 4.12Å; C519-C521 HydrophobicContact CB-CB 3.76Å; C519-C521 WeakPolarHBondContact CB-SG 3.15Å; C519-C521 PolarHBondContact O-N 2.86Å; C519-C521 WeakPolarHBondContact SG-CB 3.49Å; C519-C521 PolarHBondContact SG-N 3.12Å; C519-C521 CovalentContact SG-SG 2.04Å; C519-C521 PolarHBondContact SG-SG 3.38Å
520I68.1Low73Confident60 Ų6072.3 Ų72.331%0.30838%0.38SS..  trans-71.516164.570.8-175.6000113.5G487 C488G487-I520 WeakPolarHBondContact O-CD1 3.39Å; C488-I520 WeakPolarHBondContact O-CG1 3.46Å
521C66.4Low72.8Confident19 Ų1974.3 Ų74.313%0.12840%0.395CS..  trans-74.5119.4-178.7-59.30000109.5C519 C524C519-C521 HydrophobicContact CB-CB 3.76Å; C519-C521 WeakPolarHBondContact CB-SG 3.15Å; C519-C521 PolarHBondContact O-N 2.86Å; C519-C521 WeakPolarHBondContact SG-CB 3.49Å; C519-C521 PolarHBondContact SG-N 3.12Å; C519-C521 CovalentContact SG-SG 2.04Å; C519-C521 PolarHBondContact SG-SG 3.38Å; C521-C524 HydrophobicContact CB-CB 3.67Å
522R62.8Low72.2Confident194 Ų19473.7 Ų73.773%0.73240%0.396SS*.THydrogen-bonded Turntrans-82.9139.8165.1-71.1-177.2172.2179.7-3.8109.4C524R522-C524 PolarHBondContact O-N 3.4Å
523G58.9Low72.1Confident53 Ų5374.3 Ų74.355%0.54640%0.396SS..THydrogen-bonded Turntrans59.443.7178.200000114.1Q525G523-Q525 PolarHBondContact O-N 3.18Å
524C67.8Low71.7Confident41 Ų4171.6 Ų71.628%0.27739%0.389SS..  trans-84.8116.5-178.6-163.90000112.2C502 C516 C521 R522C502-C524 HydrophobicContact CB-CB 4.16Å; C502-C524 PolarHBondContact O-SG 3.18Å; C516-C524 PolarHBondContact SG-SG 3.12Å; C521-C524 HydrophobicContact CB-CB 3.67Å; R522-C524 PolarHBondContact O-N 3.4Å
525Q69Low71.1Confident76 Ų7671.5 Ų71.536%0.35539%0.388SS..  trans-107.754.4179.2-156158.62100109.8R503 G523R503-Q525 HydrophobicContact CG-CB 4.23Å; G523-Q525 PolarHBondContact O-N 3.18Å
526N75.8Confident69.9Low23 Ų2377.6 Ų77.612%0.12342%0.417CS..  trans-78.8118177175.58.6000109.3Y510 K514 C516 Y528Y510-N526 WeakPolarHBondContact CD2-OD1 3.11Å; K514-N526 PolarHBondContact O-ND2 2.05Å; C516-N526 PolarHBondContact SG-ND2 2.69Å; N526-Y528 PolarHBondContact O-N 3.31Å; N526-Y528 WeakPolarHBondContact OD1-CD2 3.39Å; N526-Y528 PolarHBondContact OD1-N 3.47Å; N526-Y528 VanDerWaalsContact OD1-N 3.11Å
527S76Confident69.1Low15 Ų1580.4 Ų80.411%0.10543%0.427CS..  trans-71-8.2-176.4-22.20000114.3K535 E537S527-K535 WeakPolarHBondContact O-CB 3.12Å; S527-K535 PolarHBondContact O-N 3.39Å; S527-E537 PolarHBondContact OG-OE1 3.1Å
528Y79.6Confident67.6Low29 Ų2978.4 Ų78.411%0.11443%0.428CS..BIsolated β-bridgetrans-80.4125.8174.8-70.3-77.9000112.1Y510 R513 A515 N526 E533 K534Y510-Y528 HydrophobicContact CD2-CD2 4.12Å; Y510-Y528 HydrophobicContact CD2-CE2 4.13Å; Y510-Y528 HydrophobicContact CE2-CE2 4.29Å; Y510-Y528 HydrophobicContact CG-CE2 4.4Å; Y510-Y528 WeakPolarHBondContact O-CE2 3.23Å; R513-Y528 HydrophobicContact CB-CD1 4.23Å; R513-Y528 HydrophobicContact CB-CE1 3.73Å; R513-Y528 HydrophobicContact CB-CE2 4.27Å; R513-Y528 HydrophobicContact CG-CE1 4.22Å; R513-Y528 HydrophobicContact CG-CE2 4.38Å; A515-Y528 VanDerWaalsContact CA-O 3.31Å; A515-Y528 WeakPolarHBondContact CA-O 3.36Å; A515-Y528 WeakPolarHBondContact CB-O 3.49Å; N526-Y528 PolarHBondContact O-N 3.31Å; N526-Y528 WeakPolarHBondContact OD1-CD2 3.39Å; N526-Y528 PolarHBondContact OD1-N 3.47Å; N526-Y528 VanDerWaalsContact OD1-N 3.11Å; Y528-E533 CarbonylContact C-O 3.5Å; Y528-E533 WeakPolarHBondContact CA-O 3.14Å; Y528-K534 HydrophobicContact CD1-CB 4.09Å; Y528-K534 HydrophobicContact CE1-CB 3.85Å; Y528-K534 HydrophobicContact CE1-CG 4.39Å
529M77.3Confident66.2Low94 Ų9482.5 Ų82.546%0.46344%0.442SS..  trans-87.5169.5179.3-73.6179.95500112.6A515 N531 G532 E533 K535A515-M529 WeakPolarHBondContact CB-O 3.13Å; M529-N531 VanDerWaalsContact CB-OD1 3.28Å; M529-N531 WeakPolarHBondContact CB-OD1 3.39Å; M529-N531 PolarHBondContact O-N 3.38Å; M529-G532 PolarHBondContact O-N 2.82Å; M529-E533 PolarHBondContact N-O 2.88Å; M529-K535 HydrophobicContact CG-CB 4.45Å; M529-K535 HydrophobicContact SD-CB 4.14Å; M529-K535 HydrophobicContact SD-CD 4.5Å
530A72.8Confident65Low80 Ų8084.2 Ų84.266%0.66146%0.458SS*.THydrogen-bonded Turntrans-60.4-28-172.500000113.8L517 G532L517-A530 HydrophobicContact CD1-CB 4.25Å; L517-A530 HydrophobicContact CD2-CB 4.06Å; A530-G532 VanDerWaalsContact C-N 3.31Å
531N72.5Confident63.8Low99 Ų9985.3 Ų85.353%0.52947%0.468SS..THydrogen-bonded Turntrans-80.6-4174.561.2-8.4000114.1M529 E533M529-N531 VanDerWaalsContact CB-OD1 3.28Å; M529-N531 WeakPolarHBondContact CB-OD1 3.39Å; M529-N531 PolarHBondContact O-N 3.38Å; N531-E533 PolarHBondContact ND2-OE2 2.92Å; N531-E533 PolarHBondContact OD1-N 3.25Å
532G65.8Low63.1Low36 Ų3688.9 Ų88.937%0.37149%0.49SS..SBendtrans90.6-5.9-177.800000115M529 A530M529-G532 PolarHBondContact O-N 2.82Å; A530-G532 VanDerWaalsContact C-N 3.31Å
533E73.3Confident62.8Low123 Ų12387.6 Ų87.658%0.57549%0.492SS*.  trans-72.4147177.9-65.4179.1152.300111.7Y528 M529 N531Y528-E533 CarbonylContact C-O 3.5Å; Y528-E533 WeakPolarHBondContact CA-O 3.14Å; M529-E533 PolarHBondContact N-O 2.88Å; N531-E533 PolarHBondContact ND2-OE2 2.92Å; N531-E533 PolarHBondContact OD1-N 3.25Å
534K71.8Confident62.2Low118 Ų11892.9 Ų92.951%0.51350%0.501SS..BIsolated β-bridgetrans-91.5111.4173.6-175.8-168.8173.2-167.60109.2Y528 L536Y528-K534 HydrophobicContact CD1-CB 4.09Å; Y528-K534 HydrophobicContact CE1-CB 3.85Å; Y528-K534 HydrophobicContact CE1-CG 4.39Å; K534-L536 PolarHBondContact O-N 3.39Å
535K68Low61.4Low138 Ų13892.7 Ų92.760%0.650%0.502SS*.  trans-59.8123.8169-172.9171.5-178.1176.60109.3S527 M529 E537S527-K535 WeakPolarHBondContact O-CB 3.12Å; S527-K535 PolarHBondContact O-N 3.39Å; M529-K535 HydrophobicContact CG-CB 4.45Å; M529-K535 HydrophobicContact SD-CB 4.14Å; M529-K535 HydrophobicContact SD-CD 4.5Å; K535-E537 PolarHBondContact O-N 3.42Å
536L55.8Low60.6Low147 Ų14793.9 Ų93.977%0.7751%0.51SS*.  trans-66.7123.2169.3-70.5167.2000108.4K534 A538K534-L536 PolarHBondContact O-N 3.39Å; L536-A538 VanDerWaalsContact C-N 3.3Å; L536-A538 PolarHBondContact O-N 2.86Å
537E57.6Low59.6Low93 Ų9398.6 Ų98.644%0.43553%0.532SS..  trans-82.476.4-179.2-66.8-167.9176.500110.8R503 S527 K535 F539R503-E537 IonicContact CZ-OE2 3.46Å; R503-E537 IonicContact NE-OE1 3.95Å; R503-E537 IonicContact NE-OE2 3.39Å; R503-E537 PolarHBondContact NE-OE2 3.05Å; R503-E537 IonicContact NH2-OE1 3.91Å; R503-E537 IonicContact NH2-OE2 2.69Å; R503-E537 PolarHBondContact NH2-OE2 2.96Å; S527-E537 PolarHBondContact OG-OE1 3.1Å; K535-E537 PolarHBondContact O-N 3.42Å; E537-F539 PolarHBondContact O-N 3.04Å
538A42.7Very low58.6Low84 Ų84104.4 Ų104.469%0.69456%0.557SS**  trans-64.5123.5160.500000109.4L536L536-A538 VanDerWaalsContact C-N 3.3Å; L536-A538 PolarHBondContact O-N 2.86Å
539F40.4Very low57.3Low185 Ų185106.5 Ų106.581%0.81157%0.573SS**  trans40.678.9166-64.5-83.1000117.2E537 V541E537-F539 PolarHBondContact O-N 3.04Å; F539-V541 HydrophobicContact CB-CG2 4.46Å; F539-V541 HydrophobicContact CD1-CG2 4.33Å; F539-V541 PolarHBondContact O-N 3.11Å
540A43.5Very low56.3Low62 Ų62110.1 Ų110.151%0.51258%0.581SS.*  trans-77.653.6162.700000112.3R503R503-A540 VanDerWaalsContact NH2-CB 3.31Å
541V41.9Very low55.4Low83 Ų83113.5 Ų113.550%0.50359%0.588SS.*  trans-79.6127.5169179.70000108.1F539 E543 A545F539-V541 HydrophobicContact CB-CG2 4.46Å; F539-V541 HydrophobicContact CD1-CG2 4.33Å; F539-V541 PolarHBondContact O-N 3.11Å; V541-E543 PolarHBondContact O-N 3.22Å; V541-A545 HydrophobicContact CG1-CB 4.42Å
542P52.6Low54.6Low93 Ų93114.4 Ų114.460%0.60460%0.597SS**  trans-62.9127.7173-20.933.3000110.5K544 A545P542-K544 PolarHBondContact O-N 3.19Å; P542-K544 VanDerWaalsContact O-N 3.12Å; P542-A545 WeakPolarHBondContact O-CB 3.38Å; P542-A545 PolarHBondContact O-N 3.4Å
543E55.9Low54.3Low167 Ų167118 Ų11878%0.7861%0.607SS**Hα-helixtrans-53.3-37.5-174.2-163.7164.7-150.500113.1V541 A545 L546 E547V541-E543 PolarHBondContact O-N 3.22Å; E543-A545 VanDerWaalsContact C-N 3.27Å; E543-A545 PolarHBondContact O-N 3.47Å; E543-L546 WeakPolarHBondContact O-CB 3.28Å; E543-L546 PolarHBondContact O-N 2.04Å; E543-E547 PolarHBondContact O-N 3.11Å
544K47Very low53.5Low165 Ų165115 Ų11572%0.71761%0.609SS**Hα-helixtrans-61.6-26.7174.8-66.2-161.4170.3-158.80115P542 Q548P542-K544 PolarHBondContact O-N 3.19Å; P542-K544 VanDerWaalsContact O-N 3.12Å; K544-Q548 PolarHBondContact O-N 2.72Å
545A50.3Low52.7Low37 Ų37115.2 Ų115.231%0.30662%0.615SS.*Hα-helixtrans-73.5-34.1174.600000111V541 P542 E543 E547 Q548 T549V541-A545 HydrophobicContact CG1-CB 4.42Å; P542-A545 WeakPolarHBondContact O-CB 3.38Å; P542-A545 PolarHBondContact O-N 3.4Å; E543-A545 VanDerWaalsContact C-N 3.27Å; E543-A545 PolarHBondContact O-N 3.47Å; A545-E547 VanDerWaalsContact C-N 3.35Å; A545-E547 PolarHBondContact O-N 3.43Å; A545-Q548 PolarHBondContact O-N 2.82Å; A545-T549 WeakPolarHBondContact O-CB 3.48Å; A545-T549 PolarHBondContact O-N 3.19Å; A545-T549 PolarHBondContact O-OG1 2.9Å
546L52Low51.7Low100 Ų100115.1 Ų115.152%0.52462%0.621SS.*Hα-helixtrans-66-37.3178.3-170.768.9000111.8E543 R550E543-L546 WeakPolarHBondContact O-CB 3.28Å; E543-L546 PolarHBondContact O-N 2.04Å; L546-R550 WeakPolarHBondContact O-CB 3.41Å; L546-R550 PolarHBondContact O-N 3.47Å
547E55.5Low51.6Low123 Ų123113.9 Ų113.958%0.57561%0.614SS**Hα-helixtrans-64.3-45.9174.6-64.7-175.9126.300111.9E543 A545 R550 L551E543-E547 PolarHBondContact O-N 3.11Å; A545-E547 VanDerWaalsContact C-N 3.35Å; A545-E547 PolarHBondContact O-N 3.43Å; E547-R550 WeakPolarHBondContact O-CB 3.35Å; E547-R550 PolarHBondContact O-N 2.8Å; E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 2.78Å
548Q54Low51.5Low137 Ų137115.6 Ų115.664%0.6463%0.631SS**Hα-helixtrans-62.7-46.2175-67.4-171.8-71.200111.3K544 A545 R550 L551 T552K544-Q548 PolarHBondContact O-N 2.72Å; A545-Q548 PolarHBondContact O-N 2.82Å; Q548-R550 VanDerWaalsContact C-N 3.3Å; Q548-R550 PolarHBondContact O-N 3.26Å; Q548-L551 PolarHBondContact O-N 3.16Å; Q548-T552 WeakPolarHBondContact O-CB 3.46Å; Q548-T552 PolarHBondContact O-N 3.01Å; Q548-T552 PolarHBondContact O-OG1 3.19Å; Q548-T552 VanDerWaalsContact O-OG1 3.08Å
549T53.5Low51.8Low73 Ų73115 Ų11545%0.44862%0.622SS.*Hα-helixtrans-60.8-36.5176-58.60000112.6A545 L553A545-T549 WeakPolarHBondContact O-CB 3.48Å; A545-T549 PolarHBondContact O-N 3.19Å; A545-T549 PolarHBondContact O-OG1 2.9Å; T549-L553 HydrophobicContact CG2-CD1 3.65Å; T549-L553 HydrophobicContact CG2-CG 4.25Å; T549-L553 WeakPolarHBondContact O-CB 3.14Å; T549-L553 WeakPolarHBondContact O-CG 3.47Å; T549-L553 PolarHBondContact O-N 3.01Å
550R54.4Low52.3Low170 Ų170111.8 Ų111.864%0.64261%0.612SS**Hα-helixtrans-62.1-46173.5-108-180162.8166.6-4.6112.4L546 E547 Q548 G554L546-R550 WeakPolarHBondContact O-CB 3.41Å; L546-R550 PolarHBondContact O-N 3.47Å; E547-R550 WeakPolarHBondContact O-CB 3.35Å; E547-R550 PolarHBondContact O-N 2.8Å; Q548-R550 VanDerWaalsContact C-N 3.3Å; Q548-R550 PolarHBondContact O-N 3.26Å; R550-G554 PolarHBondContact O-N 3.22Å
551L55.3Low52.4Low151 Ų151114.6 Ų114.679%0.79162%0.623SS**Hα-helixtrans-70.8-32.1-180-70167.6000112.6E547 Q548E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 2.78Å; Q548-L551 PolarHBondContact O-N 3.16Å
552T55.7Low52.7Low117 Ų117113.5 Ų113.572%0.71862%0.622SS**Hα-helixtrans-81.4-26178.9-57.40000113.8Q548Q548-T552 WeakPolarHBondContact O-CB 3.46Å; Q548-T552 PolarHBondContact O-N 3.01Å; Q548-T552 PolarHBondContact O-OG1 3.19Å; Q548-T552 VanDerWaalsContact O-OG1 3.08Å
553L58.6Low52.3Low111 Ų111113.2 Ų113.258%0.58163%0.628SS**Hα-helixtrans-105.1-11-176.9-63.2-178.4000115.5T549 I555T549-L553 HydrophobicContact CG2-CD1 3.65Å; T549-L553 HydrophobicContact CG2-CG 4.25Å; T549-L553 WeakPolarHBondContact O-CB 3.14Å; T549-L553 WeakPolarHBondContact O-CG 3.47Å; T549-L553 PolarHBondContact O-N 3.01Å; L553-I555 HydrophobicContact CB-CD1 4.26Å; L553-I555 HydrophobicContact CB-CG1 4.1Å; L553-I555 WeakPolarHBondContact O-CG1 3.41Å; L553-I555 PolarHBondContact O-N 2.63Å; L553-I555 VanDerWaalsContact O-N 3.09Å
554G56.4Low51.8Low61 Ų61109.8 Ų109.863%0.62963%0.628SS**  trans64.516.9168.100000116.8R550 N556R550-G554 PolarHBondContact O-N 3.22Å; G554-N556 PolarHBondContact O-N 2.88Å
555I55.5Low51.8Low123 Ų123105.5 Ų105.563%0.63162%0.623SS**  trans-79.4109.4-171.3-50.7-178.4000111.4L553L553-I555 HydrophobicContact CB-CD1 4.26Å; L553-I555 HydrophobicContact CB-CG1 4.1Å; L553-I555 WeakPolarHBondContact O-CG1 3.41Å; L553-I555 PolarHBondContact O-N 2.63Å; L553-I555 VanDerWaalsContact O-N 3.09Å
556N47.6Very low51.5Low135 Ų135110.8 Ų110.872%0.72265%0.646SS**  trans-73.8144167.1-91.2-62.3000111.6G554 T558G554-N556 PolarHBondContact O-N 2.88Å; N556-T558 VanDerWaalsContact C-N 3.26Å; N556-T558 PolarHBondContact O-N 3.35Å; N556-T558 VanDerWaalsContact O-N 3.12Å
557L54.2Low50.6Low122 Ų122117.8 Ų117.864%0.63967%0.665SS**THydrogen-bonded Turntrans-79.67.3-163.1-168.751.8000115.3I560L557-I560 HydrophobicContact CD1-CD1 3.93Å
558T54.9Low49.8Very low129 Ų129119.3 Ų119.379%0.79168%0.677SS**THydrogen-bonded Turntrans-85-11.8-169.241.50000115.7N556N556-T558 VanDerWaalsContact C-N 3.26Å; N556-T558 PolarHBondContact O-N 3.35Å; N556-T558 VanDerWaalsContact O-N 3.12Å
559S48.1Very low49.4Very low70 Ų70118.4 Ų118.449%0.4968%0.683SS.*SBendtrans-94-21.5-171.555.80000115.9T561 A562S559-T561 VanDerWaalsContact C-N 3.31Å; S559-T561 PolarHBondContact O-N 3.18Å; S559-A562 PolarHBondContact O-N 3.25Å; S559-A562 VanDerWaalsContact O-N 3.13Å
560I50.6Low48.2Very low119 Ų119119.3 Ų119.361%0.6170%0.698SS**Hα-helixtrans-64.4-34.5-170-58.8-178.6000112.1L557 A562L557-I560 HydrophobicContact CD1-CD1 3.93Å; I560-A562 VanDerWaalsContact C-N 3.32Å; I560-A562 PolarHBondContact O-N 2.88Å
561T46.6Very low47.1Very low120 Ų120117 Ų11774%0.73670%0.703SS**Hα-helixtrans-68.1-28.4178.5-44.10000113S559S559-T561 VanDerWaalsContact C-N 3.31Å; S559-T561 PolarHBondContact O-N 3.18Å
562A47.7Very low46.1Very low60 Ų60116.4 Ų116.450%0.49671%0.706SS.*Hα-helixtrans-74.2-34.2-176.700000112.8S559 I560 A564 A565S559-A562 PolarHBondContact O-N 3.25Å; S559-A562 VanDerWaalsContact O-N 3.13Å; I560-A562 VanDerWaalsContact C-N 3.32Å; I560-A562 PolarHBondContact O-N 2.88Å; A562-A564 PolarHBondContact O-N 3.49Å; A562-A565 PolarHBondContact O-N 3.27Å
563A44.3Very low44.8Very low87 Ų87115.9 Ų115.972%0.71971%0.707SS**Hα-helixtrans-66.4-23.3-179.100000113.5A565A563-A565 VanDerWaalsContact C-N 3.33Å
564A46.1Very low43.6Very low96 Ų96117.6 Ų117.679%0.79372%0.715SS**THydrogen-bonded Turntrans-79.1-11.717900000114A562A562-A564 PolarHBondContact O-N 3.49Å
565A46.5Very low42.5Very low74 Ų74126 Ų12661%0.61273%0.728SS**THydrogen-bonded Turntrans-102.1-2-170.300000115.1A562 A563A562-A565 PolarHBondContact O-N 3.27Å; A563-A565 VanDerWaalsContact C-N 3.33Å
566L43.2Very low41.3Very low148 Ų148123.7 Ų123.778%0.77573%0.734SS**  trans-125.147.8-167.8-82.3169.1000115.1
567R34.2Very low40.5Very low248 Ų248124.7 Ų124.794%0.93674%0.74SS**  trans-129.8101147-77.8-165.9169.2175.5-3109.6
568N37.9Very low39.6Very low154 Ų154125.7 Ų125.782%0.82475%0.751SS**  trans-79.2150.8-174.8-115.2-20.4000112.1
569P45.2Very low38.5Very low119 Ų119126.3 Ų126.377%0.77375%0.749SS**  trans-98.8144.9178.437-32.5000113.8
570A29.6Very low37.7Very low92 Ų92131 Ų13176%0.7677%0.767SS**  trans-156.1135.4153.800000106.4
571T31.7Very low36.7Very low120 Ų120131 Ų13174%0.73677%0.768SS**  cis-153.9137.949.335.90000112.7
572T34.3Very low35.9Very low140 Ų140132.4 Ų132.486%0.85978%0.777SS**  trans61.6151.7155.259.70000120
573S27.7Very low35.2Very low105 Ų105133.2 Ų133.273%0.73478%0.783SS**  cis-168.2-179.9-25.1-172.70000109.2
574I33.9Very low34.6Very low147 Ų147135.2 Ų135.275%0.75479%0.787SS**  trans76.387.6163.3-45.2-176.5000118.2
575R32.6Very low33.9Very low239 Ų239134.6 Ų134.690%0.90278%0.782SS**  40115.7120.8-175.7-167.1-72.2-177.6-3.4119.2
576G30.7Very low33.2Very low74 Ų74137.5 Ų137.576%0.76379%0.792SS**  trans-176.996.5160.700000114.8
577N30.2Very low32.6Very low155 Ų155134.2 Ų134.283%0.82979%0.794SS**  trans-70138.6-174.6-58.3-9.3000114
578T36.2Very low32.6Very low144 Ų144129.2 Ų129.288%0.88379%0.791SS**  trans-159.8147134.5-71.40000108.9
579L31.4Very low33.3Very low142 Ų142127.7 Ų127.774%0.74379%0.789SS**  trans-99.8154.4-170.8-66.3164.2000113.2
580L31.8Very low32.7Very low167 Ų167128.7 Ų128.787%0.87479%0.793SS**  trans-170.779.4136.5-97-176.2000108.4
581N29.7Very low32.9Very low119 Ų119130.2 Ų130.264%0.63679%0.793SS**  63.3106.295.8-8412.5000116.8
582V30Very low33Very low151 Ų151131 Ų13192%0.91580%0.798SS**  trans-133.890.1137.1-176.10000108.9
583A31.9Very low33Very low76 Ų76127.9 Ų127.963%0.62879%0.786SS**  trans-85.8161.8148.600000107.1
584T31.8Very low33.3Very low130 Ų130132.2 Ų132.280%0.79879%0.792SS**  cis-163.5170.944.5-19.10000106.2
585A31.1Very low33.2Very low82 Ų82133 Ų13368%0.67880%0.797SS**  cis-162.1162.810.200000108.1
586T32.9Very low33.3Very low136 Ų136126.7 Ų126.783%0.83479%0.79SS**  cis-166.4145.7-17.820.80000107.4
587G30.3Very low33.3Very low79 Ų79127.9 Ų127.981%0.81479%0.792SS**  trans174.6134.1172.400000111.8
588T32.9Very low33.5Very low143 Ų143126.1 Ų126.188%0.87779%0.792SS**  trans-93.6152.9-172.742.80000113.7
589P53.9Low34.7Very low121 Ų121125 Ų12579%0.78679%0.788SS**  trans-95.5165.3-171.238.5-37.3000114.8
590V31.5Very low35.5Very low141 Ų141123.5 Ų123.586%0.85579%0.786SS**  trans-138.2157.6166.6-179.10000110
591T35.4Very low35.6Very low123 Ų123124.8 Ų124.876%0.75579%0.787SS**  trans-69.3175.7-177.748.60000113.4
592T32.2Very low35.9Very low138 Ų138126.8 Ų126.885%0.84780%0.798SS**  cis-138.3-138.938.661.20000115.3
593A35.5Very low36.2Very low73 Ų73124.2 Ų124.260%0.60379%0.793SS**  trans-165.2-177.9-156.800000113.1
594F33Very low36.2Very low196 Ų196126.5 Ų126.586%0.8679%0.794SS**  trans74.6156.9168.8-64.2-59.4000117.1
595L33.2Very low36.1Very low163 Ų163129.5 Ų129.585%0.85380%0.797SS**  cis-148.4-167.50.5-128.5170000111.2
596S34.2Very low36.4Very low108 Ų108132.2 Ų132.276%0.75580%0.8SS**  trans-131.9161.3-170.1-175.80000114.2
597A30.6Very low36.5Very low98 Ų98132.4 Ų132.481%0.8180%0.796SS**  trans-158.5168.2167.600000112.8
598S34.4Very low36.9Very low118 Ų118132.5 Ų132.583%0.82578%0.784SS**  trans-128.7171.5-165.5-53.20000114.7
599P61.8Low37.2Very low122 Ų122132.7 Ų132.779%0.79278%0.779SS**  trans-111.7165.7-170.541.4-34.1000116.6
600P47.3Very low36.6Very low109 Ų109134.8 Ų134.871%0.70878%0.778SS**  trans-136.1136.5154.438.6-24000113.8
601Q34.6Very low36.9Very low194 Ų194135.1 Ų135.191%0.90777%0.774SS**  92.4148.689.4-71.7-170.3-29.700117.5
602D35.4Very low37.1Very low162 Ų162136.9 Ų136.987%0.86678%0.778SS**  trans-98.5167.5-172-43.1-102.6000114.9
603A35.6Very low37.6Very low96 Ų96138.2 Ų138.279%0.79378%0.779SS**  trans-179.8126.1136.100000116.1
604N31.6Very low37.9Very low124 Ų124141.7 Ų141.766%0.66382%0.821SS**  54.9121.3127.4-159.926.7000122.8
605F31Very low38.2Very low193 Ų193139 Ų13985%0.84682%0.819SS**  -177.9166.4107.9-106.9-73.9000113.9
606D37.4Very low38.4Very low139 Ų139137.7 Ų137.774%0.74382%0.817SS**  trans-115.1147.1-174.7-179.2-83.5000110.3
607D35.4Very low38.7Very low141 Ų141139.3 Ų139.375%0.75482%0.821SS**  trans-164.4129.1154.1-142.8-89.8000114.6
608S37.8Very low39.1Very low81 Ų81141.8 Ų141.857%0.56682%0.821SS**  trans46.4125.1145.1-57.40000125.8
609L39.9Very low39.4Very low147 Ų147143.3 Ų143.377%0.7782%0.821SS**  74.9127.5123.9-70.4167.6000123.7
610E40.7Very low37.9Very low164 Ų164144.7 Ų144.777%0.76682%0.823SS**  trans-20142.1146.7-48.5174.3123.400117.4
611L37.5Very low37.3Very low149 Ų149147.2 Ų147.278%0.7883%0.831SS**  -162.2146.4109.2-133.376.5000115.1
612L40.3Very low37.5Very low159 Ų159143.6 Ų143.683%0.83283%0.826SS**  trans70.8128.1145.8-128.567.7000122.3
613I42.5Very low37.6Very low167 Ų167142.1 Ų142.186%0.85682%0.822SS**  trans-73.7148.2166.3-63.9156.6000110
614G41.9Very low37.8Very low145 Ų145146.3 Ų146.3100%1.49583%0.825SS**  trans-153.5016700000111.3

Retrieved 614 of 614 residues in 72.8 ms (Link to these results)

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