A0A096LX72_POEFO Loading...

Prickle planar cell polarity protein 1

AlphaFold DB , UniProt , Accession A0A096LX72, Species POEFO (Poecilia formosa, Amazon molly), Gene PRICKLE1, Length 554 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
1M79.6Confident84.7Confident79 Ų7995.9 Ų95.939%0.38953%0.532SS..  0137.10-61176.575.900107.5W8 A10 F15 I25M1-W8 PolarHBondContact N-O 3.46Å; M1-W8 PolarHBondContact O-N 3.4Å; M1-A10 HydrophobicContact CG-CB 4.11Å; M1-A10 HydrophobicContact SD-CB 4.3Å; M1-F15 HydrophobicContact CB-CD2 4.12Å; M1-F15 HydrophobicContact CB-CE2 4.21Å; M1-F15 HydrophobicContact CE-CD1 3.3Å; M1-F15 HydrophobicContact CE-CD2 4.08Å; M1-F15 HydrophobicContact CE-CE1 3.33Å; M1-F15 HydrophobicContact CE-CE2 4.09Å; M1-F15 HydrophobicContact CE-CG 3.7Å; M1-F15 HydrophobicContact CE-CZ 3.75Å; M1-F15 HydrophobicContact SD-CB 3.82Å; M1-F15 HydrophobicContact SD-CD1 3.75Å; M1-F15 HydrophobicContact SD-CD2 3.95Å; M1-F15 HydrophobicContact SD-CE1 4.32Å; M1-F15 HydrophobicContact SD-CE2 4.48Å; M1-F15 HydrophobicContact SD-CG 3.55Å; M1-F15 VanDerWaalsContact SD-CG 3.55Å; M1-I25 HydrophobicContact CE-CG1 4.34Å; M1-I25 HydrophobicContact SD-CG1 3.99Å
2T83.4Confident84.9Confident98 Ų9898.9 Ų98.960%0.60154%0.539SS*.EExtended strand (participates in β ladder)trans-138.2140.3-169.542.90000111.5L6 H7T2-L6 WeakPolarHBondContact CA-O 3.31Å; T2-H7 HydrophobicContact CG2-CB 4.43Å; T2-H7 WeakPolarHBondContact CG2-CD2 3.35Å
3Y81.4Confident85Confident111 Ų111102.5 Ų102.544%0.43556%0.557SS.*EExtended strand (participates in β ladder)trans-161.5134.3175.5-174.6-82.9000109.2G5 L6 F29 P31Y3-G5 VanDerWaalsContact C-N 3.29Å; Y3-G5 PolarHBondContact O-N 3.39Å; Y3-L6 PolarHBondContact N-O 3.25Å; Y3-L6 VanDerWaalsContact N-O 3.08Å; Y3-L6 WeakPolarHBondContact O-CB 3.46Å; Y3-L6 PolarHBondContact O-N 3.45Å; Y3-F29 HydrophobicContact CD1-CE2 4.32Å; Y3-F29 AromaticContact CD2-CE2 3.82Å; Y3-F29 HydrophobicContact CD2-CE2 3.82Å; Y3-F29 AromaticContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CE2-CE2 4.37Å; Y3-F29 HydrophobicContact CE2-CZ 4.37Å; Y3-F29 AromaticContact CG-CE2 3.79Å; Y3-F29 HydrophobicContact CG-CE2 3.79Å; Y3-F29 AromaticContact CG-CZ 3.91Å; Y3-F29 HydrophobicContact CG-CZ 3.91Å; Y3-P31 HydrophobicContact CD1-CB 4.24Å; Y3-P31 HydrophobicContact CD1-CG 3.76Å; Y3-P31 HydrophobicContact CE1-CB 3.88Å; Y3-P31 HydrophobicContact CE1-CG 3.14Å; Y3-P31 HydrophobicContact CE2-CG 4.4Å
4D82.6Confident85.2Confident143 Ų14398.9 Ų98.977%0.76554%0.542SS*.THydrogen-bonded Turntrans48.446.6176.9-161.427000113.8L6D4-L6 PolarHBondContact O-N 3.25Å
5G83.6Confident85.7Confident67 Ų6792.5 Ų92.569%0.69151%0.507SS*.THydrogen-bonded Turntrans72.1-16.9-176.500000115.7Y3 H7Y3-G5 VanDerWaalsContact C-N 3.29Å; Y3-G5 PolarHBondContact O-N 3.39Å; G5-H7 PolarHBondContact O-CE1 3.03Å; G5-H7 PolarHBondContact O-ND1 3.47Å
6L84.9Confident86.2Confident79 Ų7988.6 Ų88.641%0.41449%0.488SS..EExtended strand (participates in β ladder)trans-77.1144.4176.8-65173.9000111.5T2 Y3 D4 W8T2-L6 WeakPolarHBondContact CA-O 3.31Å; Y3-L6 PolarHBondContact N-O 3.25Å; Y3-L6 VanDerWaalsContact N-O 3.08Å; Y3-L6 WeakPolarHBondContact O-CB 3.46Å; Y3-L6 PolarHBondContact O-N 3.45Å; D4-L6 PolarHBondContact O-N 3.25Å; L6-W8 HydrophobicContact CB-CE3 4.35Å; L6-W8 HydrophobicContact CB-CH2 3.35Å; L6-W8 HydrophobicContact CB-CZ2 3.84Å; L6-W8 HydrophobicContact CB-CZ3 3.62Å; L6-W8 HydrophobicContact CD1-CH2 3.9Å; L6-W8 HydrophobicContact CD1-CZ2 3.97Å; L6-W8 HydrophobicContact CG-CH2 4.28Å; L6-W8 WeakPolarHBondContact O-CZ3 3.37Å
7H87.2Confident86.6Confident151 Ų15183.4 Ų83.470%0.69946%0.46SS*.EExtended strand (participates in β ladder)trans-124.8129.3-175.2-69.863.8000109.7T2 G5T2-H7 HydrophobicContact CG2-CB 4.43Å; T2-H7 WeakPolarHBondContact CG2-CD2 3.35Å; G5-H7 PolarHBondContact O-CE1 3.03Å; G5-H7 PolarHBondContact O-ND1 3.47Å
8W88.3Confident86.9Confident49 Ų4980.2 Ų80.219%0.18645%0.449CS..  trans-125.8143.3175.4-61.3-95.1000110.6M1 L6 C14 F15 I36M1-W8 PolarHBondContact N-O 3.46Å; M1-W8 PolarHBondContact O-N 3.4Å; L6-W8 HydrophobicContact CB-CE3 4.35Å; L6-W8 HydrophobicContact CB-CH2 3.35Å; L6-W8 HydrophobicContact CB-CZ2 3.84Å; L6-W8 HydrophobicContact CB-CZ3 3.62Å; L6-W8 HydrophobicContact CD1-CH2 3.9Å; L6-W8 HydrophobicContact CD1-CZ2 3.97Å; L6-W8 HydrophobicContact CG-CH2 4.28Å; L6-W8 WeakPolarHBondContact O-CZ3 3.37Å; W8-C14 VanDerWaalsContact CD1-O 3.28Å; W8-F15 HydrophobicContact CB-CD2 3.75Å; W8-F15 AromaticContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CE2 4.06Å; W8-F15 HydrophobicContact CE3-CD2 4.28Å; W8-F15 AromaticContact CE3-CE2 3.96Å; W8-F15 HydrophobicContact CE3-CE2 3.96Å; W8-F15 AromaticContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CE2 4.35Å; W8-F15 HydrophobicContact CZ3-CE2 4.49Å; W8-I36 HydrophobicContact CH2-CG2 3.91Å; W8-I36 HydrophobicContact CZ2-CG2 3.68Å
9H88.1Confident87.1Confident134 Ų13480.7 Ų80.762%0.6245%0.447SS*.  trans-60.5145.4167-50128.9000110.2T11 C14H9-T11 HydrophobicContact CB-CG2 4.43Å; H9-T11 PolarHBondContact O-N 3.19Å; H9-C14 HydrophobicContact CB-CB 3.96Å; H9-C14 PolarHBondContact ND1-SG 3.06Å
10A86.6Confident87.3Confident77 Ų7778.9 Ų78.964%0.63644%0.44SS*.SBendtrans-78.949.1177.600000111.8M1M1-A10 HydrophobicContact CG-CB 4.11Å; M1-A10 HydrophobicContact SD-CB 4.3Å
11T86.5Confident87.5Confident67 Ų6783.1 Ų83.141%0.41145%0.454SS..SBendtrans-122.4143.3179.761.10000109.5H9 N13 C14 F15H9-T11 HydrophobicContact CB-CG2 4.43Å; H9-T11 PolarHBondContact O-N 3.19Å; T11-N13 PolarHBondContact O-N 3.12Å; T11-N13 VanDerWaalsContact O-N 3.15Å; T11-C14 PolarHBondContact O-N 3.01Å; T11-C14 WeakPolarHBondContact OG1-CB 3.47Å; T11-C14 PolarHBondContact OG1-SG 3.33Å; T11-C14 VanDerWaalsContact OG1-SG 3.41Å; T11-F15 PolarHBondContact O-N 3.39Å
12E86.4Confident88Confident132 Ų13282.3 Ų82.362%0.61746%0.456SS*.THydrogen-bonded Turntrans-56.8-35-174-59.8-169.9158.300112.5S16 I25E12-S16 WeakPolarHBondContact O-CB 3.19Å; E12-I25 HydrophobicContact CG-CD1 4.2Å
13N86Confident88.5Confident145 Ų14579.5 Ų79.578%0.77544%0.44SS*.THydrogen-bonded Turntrans-66.1-43.9176.3-64.4-15000112.4T11 S16T11-N13 PolarHBondContact O-N 3.12Å; T11-N13 VanDerWaalsContact O-N 3.15Å; N13-S16 PolarHBondContact O-OG 2.91Å
14C88.6Confident89Confident52 Ų5274.3 Ų74.335%0.35142%0.42SS..THydrogen-bonded Turntrans-80.8-34.2-175.5-68.80000113W8 H9 T11W8-C14 VanDerWaalsContact CD1-O 3.28Å; H9-C14 HydrophobicContact CB-CB 3.96Å; H9-C14 PolarHBondContact ND1-SG 3.06Å; T11-C14 PolarHBondContact O-N 3.01Å; T11-C14 WeakPolarHBondContact OG1-CB 3.47Å; T11-C14 PolarHBondContact OG1-SG 3.33Å; T11-C14 VanDerWaalsContact OG1-SG 3.41Å
15F92.3Very high89.4Confident4 Ų470.9 Ų70.92%0.01840%0.401CS..SBendtrans-103.158.2177.2-157.3-101.5000111M1 W8 T11 L24 I25 F29 I36M1-F15 HydrophobicContact CB-CD2 4.12Å; M1-F15 HydrophobicContact CB-CE2 4.21Å; M1-F15 HydrophobicContact CE-CD1 3.3Å; M1-F15 HydrophobicContact CE-CD2 4.08Å; M1-F15 HydrophobicContact CE-CE1 3.33Å; M1-F15 HydrophobicContact CE-CE2 4.09Å; M1-F15 HydrophobicContact CE-CG 3.7Å; M1-F15 HydrophobicContact CE-CZ 3.75Å; M1-F15 HydrophobicContact SD-CB 3.82Å; M1-F15 HydrophobicContact SD-CD1 3.75Å; M1-F15 HydrophobicContact SD-CD2 3.95Å; M1-F15 HydrophobicContact SD-CE1 4.32Å; M1-F15 HydrophobicContact SD-CE2 4.48Å; M1-F15 HydrophobicContact SD-CG 3.55Å; M1-F15 VanDerWaalsContact SD-CG 3.55Å; W8-F15 HydrophobicContact CB-CD2 3.75Å; W8-F15 AromaticContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CE2 4.06Å; W8-F15 HydrophobicContact CE3-CD2 4.28Å; W8-F15 AromaticContact CE3-CE2 3.96Å; W8-F15 HydrophobicContact CE3-CE2 3.96Å; W8-F15 AromaticContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CE2 4.35Å; W8-F15 HydrophobicContact CZ3-CE2 4.49Å; T11-F15 PolarHBondContact O-N 3.39Å; F15-L24 HydrophobicContact CD1-CB 3.54Å; F15-L24 HydrophobicContact CE1-CB 3.5Å; F15-L24 WeakPolarHBondContact CE1-O 2.97Å; F15-L24 WeakPolarHBondContact O-CB 3.5Å; F15-L24 PolarHBondContact O-N 3.49Å; F15-I25 HydrophobicContact CB-CG1 4.14Å; F15-I25 HydrophobicContact CD1-CG1 4.17Å; F15-F29 HydrophobicContact CE1-CD1 4.06Å; F15-F29 HydrophobicContact CE1-CE1 4.38Å; F15-F29 HydrophobicContact CE1-CG 4.48Å; F15-F29 AromaticContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD2 4.35Å; F15-F29 AromaticContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE2 4.34Å; F15-F29 HydrophobicContact CZ-CG 4.06Å; F15-F29 HydrophobicContact CZ-CZ 4.05Å; F15-I36 HydrophobicContact CD1-CD1 4.2Å; F15-I36 HydrophobicContact CD2-CD1 3.39Å; F15-I36 HydrophobicContact CE1-CD1 4.2Å; F15-I36 HydrophobicContact CE2-CD1 3.4Å; F15-I36 VanDerWaalsContact CE2-CD1 3.4Å; F15-I36 HydrophobicContact CG-CD1 3.82Å; F15-I36 HydrophobicContact CZ-CD1 3.82Å
16S93.5Very high89.7Confident29 Ų2971.6 Ų71.620%0.20341%0.408CS..BIsolated β-bridgetrans-113.1154-176.755.30000113.2E12 N13 G18 K21 S22 I36E12-S16 WeakPolarHBondContact O-CB 3.19Å; N13-S16 PolarHBondContact O-OG 2.91Å; S16-G18 PolarHBondContact O-N 2.91Å; S16-K21 WeakPolarHBondContact CB-O 3.3Å; S16-S22 CarbonylContact C-O 3.58Å; S16-S22 WeakPolarHBondContact CA-O 3.49Å; S16-I36 WeakPolarHBondContact O-CG1 3.33Å
17C93.8Very high89.8Confident1 Ų171 Ų711%0.00741%0.41CS..  trans-64.8127.3175.2176.80000112Q19 C20 K21 S22 L24 I36 C38C17-Q19 PolarHBondContact O-N 3.02Å; C17-C20 VanDerWaalsContact CB-SG 3.56Å; C17-C20 PolarHBondContact SG-SG 3.29Å; C17-K21 VanDerWaalsContact O-CA 3.25Å; C17-K21 WeakPolarHBondContact O-CA 3.41Å; C17-K21 PolarHBondContact O-N 3.36Å; C17-S22 PolarHBondContact N-O 3.33Å; C17-L24 HydrophobicContact CB-CD1 4.25Å; C17-L24 HydrophobicContact CB-CD2 4.36Å; C17-L24 HydrophobicContact CB-CG 4.38Å; C17-I36 WeakPolarHBondContact CA-O 3.45Å; C17-C38 HydrophobicContact CB-CB 4.31Å; C17-C38 PolarHBondContact SG-N 3.44Å; C17-C38 VanDerWaalsContact SG-N 3.36Å; C17-C38 VanDerWaalsContact SG-SG 3.63Å
18G91.4Very high89.9Confident25 Ų2569.2 Ų69.226%0.25841%0.412SS..THydrogen-bonded Turntrans-62.5-6.9-175.600000117.3S16 I36S16-G18 PolarHBondContact O-N 2.91Å; G18-I36 PolarHBondContact N-O 2.82Å
19Q90.1Very high90.1Very high90 Ų9070 Ų7042%0.42142%0.417SS..THydrogen-bonded Turntrans-110.1-70.8166.8-54.8-61.9-0.200111.5C17 K21 Y37 C42C17-Q19 PolarHBondContact O-N 3.02Å; Q19-K21 PolarHBondContact O-N 3.49Å; Q19-Y37 HydrophobicContact CG-CD1 4.18Å; Q19-Y37 HydrophobicContact CG-CE1 3.96Å; Q19-C42 HydrophobicContact CB-CB 4.22Å; Q19-C42 HydrophobicContact CG-CB 4.01Å; Q19-C42 WeakPolarHBondContact CG-O 3.5Å; Q19-C42 PolarHBondContact NE2-O 2.81Å
20C91.6Very high90.3Very high44 Ų4467.1 Ų67.130%0.29741%0.405SS..THydrogen-bonded Turntrans-79.2-1.3-169.167.30000114.4C17 S22 C38C17-C20 VanDerWaalsContact CB-SG 3.56Å; C17-C20 PolarHBondContact SG-SG 3.29Å; C20-S22 PolarHBondContact O-N 3.29Å; C20-S22 PolarHBondContact SG-OG 3.21Å; C20-C38 VanDerWaalsContact SG-SG 3.63Å
21K91.3Very high90.5Very high169 Ų16965.8 Ų65.874%0.73539%0.39SS*.  trans56.86.8178.2-56.4-179.7-174.7174.70116.1S16 C17 Q19 S23S16-K21 WeakPolarHBondContact CB-O 3.3Å; C17-K21 VanDerWaalsContact O-CA 3.25Å; C17-K21 WeakPolarHBondContact O-CA 3.41Å; C17-K21 PolarHBondContact O-N 3.36Å; Q19-K21 PolarHBondContact O-N 3.49Å; K21-S23 PolarHBondContact O-N 3.08Å
22S91.4Very high90.7Very high62 Ų6266.1 Ų66.143%0.43439%0.387SS..  trans-58.7136172.8-46.90000110.5S16 C17 C20 L24S16-S22 CarbonylContact C-O 3.58Å; S16-S22 WeakPolarHBondContact CA-O 3.49Å; C17-S22 PolarHBondContact N-O 3.33Å; C20-S22 PolarHBondContact O-N 3.29Å; C20-S22 PolarHBondContact SG-OG 3.21Å; S22-L24 PolarHBondContact O-N 3.06Å
23S93Very high90.6Very high38 Ų3867.5 Ų67.527%0.26639%0.394SS..BIsolated β-bridgetrans-54.4136.4169.5-176.10000110.2K21 I25K21-S23 PolarHBondContact O-N 3.08Å; S23-I25 WeakPolarHBondContact OG-CG1 3.48Å; S23-I25 PolarHBondContact OG-N 3.2Å
24L92.4Very high90.6Very high3 Ų363.6 Ų63.62%0.01639%0.387CS..  trans-104.87.5175.6-64.1171.1000111.7F15 C17 S22 G26 C27 F29 I36 C38F15-L24 HydrophobicContact CD1-CB 3.54Å; F15-L24 HydrophobicContact CE1-CB 3.5Å; F15-L24 WeakPolarHBondContact CE1-O 2.97Å; F15-L24 WeakPolarHBondContact O-CB 3.5Å; F15-L24 PolarHBondContact O-N 3.49Å; C17-L24 HydrophobicContact CB-CD1 4.25Å; C17-L24 HydrophobicContact CB-CD2 4.36Å; C17-L24 HydrophobicContact CB-CG 4.38Å; S22-L24 PolarHBondContact O-N 3.06Å; L24-G26 PolarHBondContact O-N 3.47Å; L24-C27 PolarHBondContact O-N 3.06Å; L24-F29 HydrophobicContact CB-CB 4.47Å; L24-F29 HydrophobicContact CD1-CB 3.97Å; L24-F29 HydrophobicContact CD2-CB 4.45Å; L24-I36 HydrophobicContact CD1-CB 3.96Å; L24-I36 HydrophobicContact CD1-CD1 3.82Å; L24-I36 HydrophobicContact CD1-CG1 3.76Å; L24-C38 HydrophobicContact CD2-CB 3.64Å
25I91.3Very high90.6Very high70 Ų7068.3 Ų68.336%0.35940%0.397SS..THydrogen-bonded Turntrans-65.7119-178.2-59.5-179.1000109.5M1 E12 F15 S23 C27M1-I25 HydrophobicContact CE-CG1 4.34Å; M1-I25 HydrophobicContact SD-CG1 3.99Å; E12-I25 HydrophobicContact CG-CD1 4.2Å; F15-I25 HydrophobicContact CB-CG1 4.14Å; F15-I25 HydrophobicContact CD1-CG1 4.17Å; S23-I25 WeakPolarHBondContact OG-CG1 3.48Å; S23-I25 PolarHBondContact OG-N 3.2Å; I25-C27 PolarHBondContact O-N 3.02Å
26G88.3Confident90.7Very high83 Ų8368.4 Ų68.486%0.85640%0.398SS*.THydrogen-bonded Turntrans75.80.2-174.500000114.8L24L24-G26 PolarHBondContact O-N 3.47Å
27C88.1Confident90.7Very high65 Ų6567.7 Ų67.744%0.43939%0.391SS..SBendtrans-99.3151.3176.1-61.80000111.6L24 I25L24-C27 PolarHBondContact O-N 3.06Å; I25-C27 PolarHBondContact O-N 3.02Å
28P89Confident90.7Very high115 Ų11570.3 Ų70.375%0.74741%0.409SS*.  trans-63.4140.6164.529.3-34.3000109.8
29F93.1Very high90.8Very high65 Ų6571.2 Ų71.229%0.28541%0.411SS..  trans-132.7151.8-179.563.1-85.6000111.3Y3 F15 L24 P31 I36 Y37Y3-F29 HydrophobicContact CD1-CE2 4.32Å; Y3-F29 AromaticContact CD2-CE2 3.82Å; Y3-F29 HydrophobicContact CD2-CE2 3.82Å; Y3-F29 AromaticContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CE2-CE2 4.37Å; Y3-F29 HydrophobicContact CE2-CZ 4.37Å; Y3-F29 AromaticContact CG-CE2 3.79Å; Y3-F29 HydrophobicContact CG-CE2 3.79Å; Y3-F29 AromaticContact CG-CZ 3.91Å; Y3-F29 HydrophobicContact CG-CZ 3.91Å; F15-F29 HydrophobicContact CE1-CD1 4.06Å; F15-F29 HydrophobicContact CE1-CE1 4.38Å; F15-F29 HydrophobicContact CE1-CG 4.48Å; F15-F29 AromaticContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD2 4.35Å; F15-F29 AromaticContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE2 4.34Å; F15-F29 HydrophobicContact CZ-CG 4.06Å; F15-F29 HydrophobicContact CZ-CZ 4.05Å; L24-F29 HydrophobicContact CB-CB 4.47Å; L24-F29 HydrophobicContact CD1-CB 3.97Å; L24-F29 HydrophobicContact CD2-CB 4.45Å; F29-P31 HydrophobicContact CE2-CG 4.38Å; F29-I36 HydrophobicContact CD2-CB 4.25Å; F29-I36 HydrophobicContact CD2-CG2 3.81Å; F29-I36 HydrophobicContact CE2-CG2 4.18Å; F29-Y37 CarbonylContact C-O 3.57Å; F29-Y37 WeakPolarHBondContact CA-O 3.46Å
30L91.9Very high90.9Very high73 Ų7374.2 Ų74.238%0.38242%0.423SS..EExtended strand (participates in β ladder)trans-106.6118.8173.5-166.393.3000109.4I36 Y37 A43L30-I36 WeakPolarHBondContact O-CA 3.25Å; L30-Y37 PolarHBondContact N-O 3.28Å; L30-Y37 PolarHBondContact O-N 3.02Å; L30-A43 HydrophobicContact CD2-CB 3.55Å
31P91.1Very high90.8Very high49 Ų4973.9 Ų73.932%0.31842%0.423SS..EExtended strand (participates in β ladder)trans-75.4132.4167.12.113.1000110Y3 F29 R35Y3-P31 HydrophobicContact CD1-CB 4.24Å; Y3-P31 HydrophobicContact CD1-CG 3.76Å; Y3-P31 HydrophobicContact CE1-CB 3.88Å; Y3-P31 HydrophobicContact CE1-CG 3.14Å; Y3-P31 HydrophobicContact CE2-CG 4.4Å; F29-P31 HydrophobicContact CE2-CG 4.38Å; P31-R35 CarbonylContact C-O 3.58Å; P31-R35 WeakPolarHBondContact CA-O 3.42Å
32H89.9Confident90.8Very high74 Ų7466 Ų6634%0.34339%0.39SS..EExtended strand (participates in β ladder)trans-151.8131.9172.9-164.859.4000110.3G34 R35 Y37 A43H32-G34 PolarHBondContact O-N 3.48Å; H32-G34 VanDerWaalsContact O-N 3.12Å; H32-R35 PolarHBondContact N-O 3.22Å; H32-R35 PolarHBondContact O-N 3.15Å; H32-R35 VanDerWaalsContact O-O 3.09Å; H32-Y37 HydrophobicContact CB-CD2 3.98Å; H32-Y37 HydrophobicContact CB-CE2 3.82Å; H32-A43 HydrophobicContact CB-CB 4.11Å; H32-A43 PolarHBondContact CD2-O 3.14Å
33Q85.1Confident90.8Very high162 Ų16263.5 Ų63.576%0.75737%0.373SS*.THydrogen-bonded Turntrans50.637.9176.4-56.5177.940.400114.6R35Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 2.98Å
34G85.4Confident90.6Very high62 Ų6266.6 Ų66.664%0.63939%0.385SS*.THydrogen-bonded Turntrans74.510.3-178.400000115.3H32H32-G34 PolarHBondContact O-N 3.48Å; H32-G34 VanDerWaalsContact O-N 3.12Å
35R89.5Confident90Very high151 Ų15168.4 Ų68.457%0.5741%0.405SS*.EExtended strand (participates in β ladder)trans-121.2163.8173.2-65.4-175.8179.4-152.5-0.1110.7P31 H32 Q33 Y37P31-R35 CarbonylContact C-O 3.58Å; P31-R35 WeakPolarHBondContact CA-O 3.42Å; H32-R35 PolarHBondContact N-O 3.22Å; H32-R35 PolarHBondContact O-N 3.15Å; H32-R35 VanDerWaalsContact O-O 3.09Å; Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 2.98Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å
36I92.6Very high88.8Confident6 Ų670.5 Ų70.53%0.03141%0.413CS..EExtended strand (participates in β ladder)trans-112.2145.8176.955.7176.9000110.7W8 F15 S16 C17 G18 L24 F29 L30W8-I36 HydrophobicContact CH2-CG2 3.91Å; W8-I36 HydrophobicContact CZ2-CG2 3.68Å; F15-I36 HydrophobicContact CD1-CD1 4.2Å; F15-I36 HydrophobicContact CD2-CD1 3.39Å; F15-I36 HydrophobicContact CE1-CD1 4.2Å; F15-I36 HydrophobicContact CE2-CD1 3.4Å; F15-I36 VanDerWaalsContact CE2-CD1 3.4Å; F15-I36 HydrophobicContact CG-CD1 3.82Å; F15-I36 HydrophobicContact CZ-CD1 3.82Å; S16-I36 WeakPolarHBondContact O-CG1 3.33Å; C17-I36 WeakPolarHBondContact CA-O 3.45Å; G18-I36 PolarHBondContact N-O 2.82Å; L24-I36 HydrophobicContact CD1-CB 3.96Å; L24-I36 HydrophobicContact CD1-CD1 3.82Å; L24-I36 HydrophobicContact CD1-CG1 3.76Å; F29-I36 HydrophobicContact CD2-CB 4.25Å; F29-I36 HydrophobicContact CD2-CG2 3.81Å; F29-I36 HydrophobicContact CE2-CG2 4.18Å; L30-I36 WeakPolarHBondContact O-CA 3.25Å
37Y93.8Very high87.4Confident15 Ų1571.1 Ų71.16%0.05940%0.397CS..EExtended strand (participates in β ladder)trans-140.2149.8-174.2-59.8-88.7000111.6Q19 F29 L30 H32 R35 S39 C42 A43Q19-Y37 HydrophobicContact CG-CD1 4.18Å; Q19-Y37 HydrophobicContact CG-CE1 3.96Å; F29-Y37 CarbonylContact C-O 3.57Å; F29-Y37 WeakPolarHBondContact CA-O 3.46Å; L30-Y37 PolarHBondContact N-O 3.28Å; L30-Y37 PolarHBondContact O-N 3.02Å; H32-Y37 HydrophobicContact CB-CD2 3.98Å; H32-Y37 HydrophobicContact CB-CE2 3.82Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å; Y37-S39 VanDerWaalsContact C-N 3.32Å; Y37-C42 HydrophobicContact CD1-CB 3.99Å; Y37-C42 WeakPolarHBondContact CD1-O 3.37Å; Y37-C42 WeakPolarHBondContact CE1-O 3.49Å; Y37-A43 HydrophobicContact CD2-CB 3.89Å; Y37-A43 HydrophobicContact CE2-CB 4.42Å; Y37-A43 HydrophobicContact CG-CB 3.93Å
38C94.1Very high86Confident55 Ų5570.8 Ų70.837%0.37239%0.393SS..SBendtrans-74-21.5176.1610000113.8C17 C20 L24C17-C38 HydrophobicContact CB-CB 4.31Å; C17-C38 PolarHBondContact SG-N 3.44Å; C17-C38 VanDerWaalsContact SG-N 3.36Å; C17-C38 VanDerWaalsContact SG-SG 3.63Å; C20-C38 VanDerWaalsContact SG-SG 3.63Å; L24-C38 HydrophobicContact CD2-CB 3.64Å
39S92.8Very high84.4Confident45 Ų4573.8 Ų73.832%0.31540%0.397SS..SBendtrans-158.7163-171.569.60000111.8Y37 A41 C42 A43Y37-S39 VanDerWaalsContact C-N 3.32Å; S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 2.61Å; S39-C42 PolarHBondContact O-N 2.98Å; S39-C42 PolarHBondContact OG-N 2.83Å; S39-A43 PolarHBondContact O-N 3.29Å
40K92.2Very high82.4Confident152 Ų15274.3 Ų74.366%0.66141%0.413SS*.Hα-helixtrans-63.3-35.7174.7-171.3176.4178.9-179.60112.7C42 A43 L44K40-C42 PolarHBondContact O-N 2.89Å; K40-A43 PolarHBondContact O-N 2.86Å; K40-L44 HydrophobicContact CG-CD1 4.01Å; K40-L44 HydrophobicContact CG-CG 4.33Å; K40-L44 WeakPolarHBondContact O-CB 3.36Å; K40-L44 WeakPolarHBondContact O-CG 3.42Å; K40-L44 PolarHBondContact O-N 3.36Å
41A90.2Very high80.5Confident37 Ų3774.5 Ų74.531%0.30642%0.42SS..Hα-helixtrans-60.2-45.7175.800000111.3S39 L44 G45 E46S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 2.61Å; A41-L44 PolarHBondContact O-N 3.45Å; A41-G45 PolarHBondContact O-N 3.1Å; A41-G45 VanDerWaalsContact O-N 3.08Å; A41-E46 HydrophobicContact CB-CB 4.24Å; A41-E46 PolarHBondContact O-N 3.17Å
42C91.9Very high78.5Confident5 Ų578.3 Ų78.33%0.03444%0.438CS..Hα-helixtrans-64-41.2173.4-73.90000112.5Q19 Y37 S39 K40 L44 G45Q19-C42 HydrophobicContact CB-CB 4.22Å; Q19-C42 HydrophobicContact CG-CB 4.01Å; Q19-C42 WeakPolarHBondContact CG-O 3.5Å; Q19-C42 PolarHBondContact NE2-O 2.81Å; Y37-C42 HydrophobicContact CD1-CB 3.99Å; Y37-C42 WeakPolarHBondContact CD1-O 3.37Å; Y37-C42 WeakPolarHBondContact CE1-O 3.49Å; S39-C42 PolarHBondContact O-N 2.98Å; S39-C42 PolarHBondContact OG-N 2.83Å; K40-C42 PolarHBondContact O-N 2.89Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 2.96Å; C42-G45 PolarHBondContact O-N 3.44Å
43A91.1Very high76.7Confident9 Ų980.1 Ų80.17%0.07446%0.459CS..Hα-helixtrans-63.6-31176.500000113.4L30 H32 Y37 S39 K40L30-A43 HydrophobicContact CD2-CB 3.55Å; H32-A43 HydrophobicContact CB-CB 4.11Å; H32-A43 PolarHBondContact CD2-O 3.14Å; Y37-A43 HydrophobicContact CD2-CB 3.89Å; Y37-A43 HydrophobicContact CE2-CB 4.42Å; Y37-A43 HydrophobicContact CG-CB 3.93Å; S39-A43 PolarHBondContact O-N 3.29Å; K40-A43 PolarHBondContact O-N 2.86Å
44L88.1Confident75.1Confident102 Ų10276.1 Ų76.153%0.53445%0.449SS..Hα-helixtrans-84-12.3176.2-70.3174.1000114K40 A41 C42 E46K40-L44 HydrophobicContact CG-CD1 4.01Å; K40-L44 HydrophobicContact CG-CG 4.33Å; K40-L44 WeakPolarHBondContact O-CB 3.36Å; K40-L44 WeakPolarHBondContact O-CG 3.42Å; K40-L44 PolarHBondContact O-N 3.36Å; A41-L44 PolarHBondContact O-N 3.45Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 2.96Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 HydrophobicContact CB-CG 4.2Å; L44-E46 VanDerWaalsContact CD1-OE1 3.31Å; L44-E46 WeakPolarHBondContact CD1-OE1 3.35Å
45G79.7Confident73.6Confident41 Ų4177.3 Ų77.342%0.42344%0.44SS..THydrogen-bonded Turntrans7026.7-173.800000113.4A41 C42 D47A41-G45 PolarHBondContact O-N 3.1Å; A41-G45 VanDerWaalsContact O-N 3.08Å; C42-G45 PolarHBondContact O-N 3.44Å; G45-D47 PolarHBondContact O-N 2.92Å
46E67.4Low72.1Confident115 Ų11574.3 Ų74.354%0.53744%0.443SS..  trans-62.3119.1166-68.4172.2-155.900107.6A41 L44 V48A41-E46 HydrophobicContact CB-CB 4.24Å; A41-E46 PolarHBondContact O-N 3.17Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 HydrophobicContact CB-CG 4.2Å; L44-E46 VanDerWaalsContact CD1-OE1 3.31Å; L44-E46 WeakPolarHBondContact CD1-OE1 3.35Å; E46-V48 PolarHBondContact O-N 3.22Å
47D58.3Low70.4Confident95 Ų9577.3 Ų77.351%0.50847%0.469SS..  trans-64.1112.6-163.3178.4-141.8000112.3G45 H49 A50G45-D47 PolarHBondContact O-N 2.92Å; D47-H49 PolarHBondContact O-N 2.95Å; D47-H49 WeakPolarHBondContact OD2-CB 3.32Å; D47-H49 IonicContact OD2-CD2 3.76Å; D47-H49 IonicContact OD2-CG 4Å; D47-H49 PolarHBondContact OD2-N 3Å; D47-A50 HydrophobicContact CB-CB 4.17Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 2.74Å; D47-A50 PolarHBondContact OD1-N 3.24Å
48V58.8Low68.3Low59 Ų5983.9 Ų83.936%0.35850%0.498SS..G310 helixtrans-67.2-22.9178.5-176.80000110.6E46 A50 S51E46-V48 PolarHBondContact O-N 3.22Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.43Å; V48-S51 WeakPolarHBondContact O-CB 3.46Å; V48-S51 PolarHBondContact O-N 3.23Å; V48-S51 VanDerWaalsContact O-N 3.14Å; V48-S51 PolarHBondContact O-OG 3.33Å
49H55.2Low66.2Low178 Ų17887.4 Ų87.482%0.82451%0.509SS*.G310 helixtrans-77.4-11.9173.1-63.5-67.6000113.9D47 S51D47-H49 PolarHBondContact O-N 2.95Å; D47-H49 WeakPolarHBondContact OD2-CB 3.32Å; D47-H49 IonicContact OD2-CD2 3.76Å; D47-H49 IonicContact OD2-CG 4Å; D47-H49 PolarHBondContact OD2-N 3Å; H49-S51 VanDerWaalsContact C-N 3.27Å
50A52.2Low64.3Low75 Ų7589.5 Ų89.562%0.6252%0.523SS*.G310 helixtrans-82.7-0.6165.400000113.2D47 V48 D52D47-A50 HydrophobicContact CB-CB 4.17Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 2.74Å; D47-A50 PolarHBondContact OD1-N 3.24Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.43Å; A50-D52 VanDerWaalsContact C-N 3.29Å; A50-D52 PolarHBondContact O-N 3.33Å
51S51.8Low62.4Low78 Ų7886.1 Ų86.155%0.54552%0.524SS..  trans-76.879.7170.6-56.90000110.4V48 H49 S53V48-S51 WeakPolarHBondContact O-CB 3.46Å; V48-S51 PolarHBondContact O-N 3.23Å; V48-S51 VanDerWaalsContact O-N 3.14Å; V48-S51 PolarHBondContact O-OG 3.33Å; H49-S51 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 2.93Å; S51-S53 VanDerWaalsContact O-N 3.15Å
52D49Very low60.7Low128 Ų12895 Ų9568%0.68455%0.549SS*.  trans-50.5116.4168.5178.5-5.8000110.2A50 S54A50-D52 VanDerWaalsContact C-N 3.29Å; A50-D52 PolarHBondContact O-N 3.33Å; D52-S54 PolarHBondContact O-N 2.85Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.08Å; D52-S54 PolarHBondContact OD1-OG 3.48Å
53S51.6Low58.4Low112 Ų11299.5 Ų99.578%0.78358%0.581SS**THydrogen-bonded Turntrans-70.423.7-171-57.10000115.1S51S51-S53 PolarHBondContact O-N 2.93Å; S51-S53 VanDerWaalsContact O-N 3.15Å
54S51.6Low56.6Low78 Ų78109.8 Ų109.855%0.54562%0.617SS.*THydrogen-bonded Turntrans-93.5-17.4-166.1-67.60000116.1D52D52-S54 PolarHBondContact O-N 2.85Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.08Å; D52-S54 PolarHBondContact OD1-OG 3.48Å
55D53.5Low54.6Low87 Ų87112.9 Ų112.947%0.46563%0.629SS.*THydrogen-bonded Turntrans-85.8-19.7-173.8-168.649000115A57 F58 Q59D55-A57 PolarHBondContact O-N 3.14Å; D55-F58 PolarHBondContact O-N 3.34Å; D55-Q59 PolarHBondContact OD2-NE2 2.83Å
56S57.9Low53.2Low89 Ų89115.4 Ų115.462%0.62264%0.641SS**Hα-helixtrans-56.5-22.5-176.7-57.60000114.4S60S56-S60 PolarHBondContact O-OG 2.88Å; S56-S60 VanDerWaalsContact O-OG 3.12Å
57A56.5Low52.1Low69 Ų69120.9 Ų120.957%0.5766%0.656SS**Hα-helixtrans-69.2-36.3176.500000113.5D55D55-A57 PolarHBondContact O-N 3.14Å
58F49.9Very low51.2Low152 Ų152121.7 Ų121.767%0.66767%0.668SS**Hα-helixtrans-90.9-27.1-169.6-67.5-71.1000114D55D55-F58 PolarHBondContact O-N 3.34Å
59Q49.9Very low50.2Low130 Ų130122.7 Ų122.761%0.60768%0.678SS**Hα-helixtrans-70-38.3176-56.2-165.220.700111.9D55 A61 R62 S63D55-Q59 PolarHBondContact OD2-NE2 2.83Å; Q59-A61 PolarHBondContact O-N 3.49Å; Q59-R62 PolarHBondContact O-N 2.99Å; Q59-S63 PolarHBondContact O-N 3.38Å
60S53.6Low49.5Very low89 Ų89120.8 Ų120.862%0.62268%0.678SS**THydrogen-bonded Turntrans-57.9-29.6177.2-620000113.5S56 R62S56-S60 PolarHBondContact O-OG 2.88Å; S56-S60 VanDerWaalsContact O-OG 3.12Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.18Å
61A52.4Low49.4Very low81 Ų81127.5 Ų127.567%0.66969%0.688SS**THydrogen-bonded Turntrans-73.3-14.217900000114.3Q59Q59-A61 PolarHBondContact O-N 3.49Å
62R53.1Low49.1Very low224 Ų224131.2 Ų131.285%0.84570%0.701SS**THydrogen-bonded Turntrans-112-19.6-178.4-58.8-168.6-175.2-134.2-0.9113.8Q59 S60 R64Q59-R62 PolarHBondContact O-N 2.99Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.18Å; R62-R64 PolarHBondContact O-N 3.07Å
63S45.7Very low48.4Very low98 Ų98128.6 Ų128.669%0.68570%0.704SS**THydrogen-bonded Turntrans-79.835.4177-153.90000114.1Q59Q59-S63 PolarHBondContact O-N 3.38Å
64R51.6Low48.1Very low225 Ų225132.6 Ų132.685%0.84971%0.707SS**THydrogen-bonded Turntrans-117.6-9.3178.8-138.4173.1-168.2-101.52.5114.5R62 S66R62-R64 PolarHBondContact O-N 3.07Å; R64-S66 PolarHBondContact O-N 2.9Å
65E47.4Very low47.4Very low168 Ų168134.8 Ų134.879%0.78572%0.722SS**SBendtrans-100.847.9-179.8-15661.1-103.800112.3
66S49.5Very low46.8Very low94 Ų94135.3 Ų135.366%0.65773%0.733SS**SBendtrans-135.619.5177.562.50000113.6R64R64-S66 PolarHBondContact O-N 2.9Å
67R44.8Very low46.1Very low230 Ų230142 Ų14287%0.86875%0.745SS**  trans-135.774.8169.5-65.5-168.4-173.2-139.71.2110.8S69R67-S69 PolarHBondContact O-N 3.12Å
68C38.5Very low45.1Very low112 Ų112143.7 Ų143.776%0.75775%0.752SS**  trans-57107.4170.6-61.20000109.8V70C68-V70 PolarHBondContact O-N 3.17Å; C68-V70 VanDerWaalsContact O-N 3.11Å
69S38.4Very low44.4Very low80 Ų80141.5 Ų141.556%0.55976%0.762SS**  trans-69.9109.3179.567.10000110R67 R71R67-S69 PolarHBondContact O-N 3.12Å; S69-R71 PolarHBondContact O-N 2.89Å
70V40.6Very low44.2Very low138 Ų138142.2 Ų142.284%0.83677%0.77SS**  trans-70.283.8171.2-177.50000109.1C68C68-V70 PolarHBondContact O-N 3.17Å; C68-V70 VanDerWaalsContact O-N 3.11Å
71R49.5Very low43.8Very low216 Ų216147.6 Ų147.682%0.81579%0.785SS**  trans-91.6106.1167.3-82.5-169.7-87.9-168.8-4.4108.9S69 G73S69-R71 PolarHBondContact O-N 2.89Å; R71-G73 VanDerWaalsContact C-N 3.27Å; R71-G73 PolarHBondContact O-N 3.29Å
72L46.3Very low43Very low156 Ų156149.9 Ų149.982%0.81780%0.795SS**  trans-73.773.6-177.9-166.574000111.7
73G34.8Very low42.5Very low73 Ų73150.9 Ų150.975%0.75380%0.799SS**  trans-91.3123175.600000112R71R71-G73 VanDerWaalsContact C-N 3.27Å; R71-G73 PolarHBondContact O-N 3.29Å
74K44.8Very low41.9Very low195 Ų195155.4 Ų155.485%0.84881%0.809SS**  trans-90.5125.5178.2-51110.8171.6-177.50111.3
75S36.7Very low40.9Very low124 Ų124150.1 Ų150.187%0.86781%0.807SS**  trans-158.3165.8145.164.90000109.6
76S41.2Very low40.5Very low99 Ų99149.9 Ų149.969%0.69281%0.81SS**  trans-131.1145.6-171.555.20000111.8
77R42.4Very low39.8Very low229 Ų229153.1 Ų153.186%0.86482%0.819SS**  170146.1123.7-91.8159.7-179.8-123.1-4.3113.8
78S36.9Very low39.1Very low105 Ų105151.7 Ų151.773%0.73482%0.819SS**  trans23.2110.4154.956.20000119.5D80S78-D80 PolarHBondContact O-N 2.87Å
79A35.3Very low38.7Very low105 Ų105151.1 Ų151.187%0.86882%0.817SS**  trans-96.771.4164.400000111.2
80D44.4Very low38.5Very low146 Ų146153.7 Ų153.778%0.78183%0.832SS**  trans-140.581.3178.6-94.6-52000111.4S78S78-D80 PolarHBondContact O-N 2.87Å
81Q45.6Very low38.1Very low202 Ų202153 Ų15394%0.94483%0.832SS**  trans172.186.9153.8-98.816540.900111
82C35.1Very low37.3Very low128 Ų128148.6 Ų148.687%0.86583%0.829SS**  trans-154.242.9165.8-154.10000113.2
83R42.8Very low36.6Very low245 Ų245148.1 Ų148.193%0.92583%0.828SS**  trans-144.664.8173.6-77.8-159.7169.4-159.9-3.2113
84Q33.8Very low36.4Very low193 Ų193155.1 Ų155.190%0.90283%0.833SS**  trans-161.5109.2162.3-112166.136.200111.2
85S31.2Very low36Very low115 Ų115154.3 Ų154.380%0.80483%0.83SS**  trans161.6159.113652.90000112.1
86L38.7Very low35.7Very low162 Ų162158.1 Ų158.185%0.84883%0.831SS**  trans66.661.1165.9-48.1-170.9000118.3
87L34.4Very low35.9Very low162 Ų162158.7 Ų158.785%0.84883%0.832SS**  trans-74133.9133.3-70.5169.7000108.4
88F30.7Very low35.2Very low200 Ų200151 Ų15188%0.87782%0.824SS**  trans-168.6128.7144.6-99-59000113.3
89S28.9Very low35.1Very low100 Ų100153.9 Ų153.970%0.69983%0.83SS**  trans46.2116.2149.4-53.20000122.6
90P34.7Very low35.2Very low135 Ų135153.2 Ų153.288%0.87782%0.819SS**PPolyproline II helixtrans-74153143.7-4.623.6000111.2
91S32.8Very low34.5Very low122 Ų122155.2 Ų155.285%0.85382%0.824SS**PPolyproline II helixtrans-101.2161-172.646.60000115.4
92V31.6Very low33.9Very low124 Ų124153.2 Ų153.275%0.75282%0.819SS**PPolyproline II helixtrans-70.9160.3-170.5-81.70000117.2
93N31.2Very low33.9Very low147 Ų147150.1 Ų150.179%0.78680%0.803SS**  trans103.9135.8162.4-57.5-65.8000115.2
94Y31.3Very low33.5Very low220 Ų220146.2 Ų146.286%0.86380%0.795SS**  cis-142.5169.328.8-148.3-93.9000112.9
95K36.1Very low33.6Very low178 Ų178144.2 Ų144.277%0.77479%0.79SS**  trans-104.9146180-73.2-179.1174.3-179.80113.5
96F30.1Very low33.9Very low203 Ų203145.3 Ų145.389%0.8979%0.792SS**  -163.9154108.6-135.9-108.1000112.6
97P45.4Very low33.9Very low111 Ų111145 Ų14572%0.72179%0.791SS**  trans-125.6175.2-164.140.3-23.8000117
98G27.5Very low33.7Very low68 Ų68142.1 Ų142.170%0.70178%0.78SS**  trans155.4135.617500000107.4
99I36.5Very low34Very low165 Ų165141 Ų14185%0.84678%0.775SS**  cis-148.7162.921.625171000111
100S35.6Very low34.6Very low92 Ų92144.4 Ų144.464%0.64378%0.784SS**  trans13.3118.8158.955.40000119.2
101E30.2Very low34.3Very low188 Ų188142.7 Ų142.788%0.87977%0.771SS**  72.996.269.6-174.7-175.1-164.700113.6
102N32.7Very low34.4Very low160 Ų160146.3 Ų146.386%0.85677%0.774SS**  -154.6166114-160.28.3000108.6
103A35.8Very low34.4Very low62 Ų62147.4 Ų147.451%0.51278%0.775SS.*  trans-134.4-170.3-168.400000113.4
104E34Very low34.4Very low163 Ų163146.9 Ų146.976%0.76277%0.772SS**  trans65.1129.2172.8-15.5-53.4-175.900119.5
105D35.9Very low34.5Very low151 Ų151144.2 Ų144.281%0.80777%0.772SS**  trans44.1129.5140.5-58.4-17.3000121.1
106T37.4Very low34.2Very low138 Ų138140.4 Ų140.485%0.84777%0.767SS**  cis-152.4152.745.642.20000115.3
107L38.4Very low34Very low155 Ų155137.8 Ų137.881%0.81276%0.763SS**  trans-87.6121.8171.2-176.8169.3000110.7
108T31.7Very low33.3Very low103 Ų103139.4 Ų139.463%0.63276%0.761SS**  trans179.2144.2138.223.60000117.4
109K36.3Very low33.5Very low176 Ų176142.9 Ų142.977%0.76576%0.758SS**  trans59.996.9142-66.8166.1-174.7175.60119.8T111K109-T111 PolarHBondContact O-N 3.47Å
110I40.9Very low33.3Very low171 Ų171143.1 Ų143.188%0.87776%0.76SS**  trans-52122.6130-60.2163.1000108.7
111T29.8Very low33.2Very low100 Ų100149.5 Ų149.561%0.61377%0.771SS**  trans170.4122.5138.336.20000108.8K109K109-T111 PolarHBondContact O-N 3.47Å
112H33.3Very low33.2Very low197 Ų197151.7 Ų151.791%0.91277%0.771SS**  -158.2146.3126.3-96.6-68000108
113L31.9Very low32.8Very low147 Ų147151.2 Ų151.277%0.7776%0.763SS**  trans-107.8164.4-166.8-70.9164.6000111.6
114N32.4Very low32.3Very low137 Ų137158 Ų15873%0.73378%0.776SS**  trans33.1118144.1-56.3-6.9000119.7
115L32.8Very low32Very low164 Ų164153.3 Ų153.386%0.85977%0.771SS**  -123.7135121.5-74.9166.9000104.9
116S29.3Very low32Very low97 Ų97153.9 Ų153.968%0.67877%0.768SS**  65.5142.363.8-580000112
117D26.8Very low31.7Very low148 Ų148156.1 Ų156.179%0.79177%0.769SS**  cis-145.5173.222-150.613000115.6
118E30.2Very low31.4Very low146 Ų146152.7 Ų152.768%0.68276%0.764SS**  trans-58.4156-171.9-63.3-80.187.200117.2
119H31.4Very low31.3Very low140 Ų140157 Ų15765%0.64878%0.777SS**  trans-0.7140.2146.9-55.1-83.2000120.4
120L32.8Very low31.4Very low170 Ų170154.6 Ų154.689%0.8978%0.776SS**  -157.895.6121.7-113.5164.6000113.3
121W33.1Very low31.9Very low226 Ų226151.6 Ų151.686%0.85677%0.768SS**  trans-82.7124.2164.7-75.492.4000110.6
122R30.1Very low32.2Very low235 Ų235154 Ų15489%0.88777%0.772SS**  trans-168.1163.9138.2-133.8168.7-76-114.40.5114
123E24.6Very low32.5Very low149 Ų149151.5 Ų151.570%0.69677%0.765SS**  trans81.1121.4162.4-138.2164.5-163.800115.6
124R25.3Very low33.1Very low206 Ų206154 Ų15478%0.77777%0.773SS**  cis-167.8150.3-6.2155.4-171-60.4-97.75.8110
125G28.3Very low33.9Very low63 Ų63156.4 Ų156.465%0.64978%0.78SS**  trans144.7115.316000000115.2
126E35.5Very low34.7Very low163 Ų163157.4 Ų157.476%0.76278%0.781SS**  trans-27.5152147-69.4102.1163.800115
127E30Very low35.6Very low185 Ų185160.6 Ų160.686%0.86478%0.784SS**  cis-163.2163.810.1-105.5162.8173.800104.9
128A33Very low36.1Very low84 Ų84165.7 Ų165.769%0.69479%0.793SS**  cis-175.6158-6.800000107.3
129E30.4Very low37Very low194 Ų194163 Ų16391%0.90780%0.796SS**  trans58.999160.6-61.5-173.5175.300121.7
130V38.5Very low37.9Very low124 Ų124163.8 Ų163.875%0.75280%0.799SS**  trans-120137.2148.5172.60000103.3E132V130-E132 HydrophobicContact CG1-CG 4.14Å
131P49.8Very low39Very low109 Ų109163.7 Ų163.771%0.70879%0.794SS**  -154.3-169.374.334.3-9.1000115.6
132E37.4Very low39.9Very low150 Ų150159.9 Ų159.970%0.70179%0.786SS**  cis-162174.2-39.2-96.3155.5166.500107.9V130V130-E132 HydrophobicContact CG1-CG 4.14Å
133D39.3Very low41.6Very low144 Ų144153 Ų15377%0.7777%0.767SS**  trans50.1127153.8-57.3-14.7000123.2
134Q43.2Very low43.7Very low199 Ų199153 Ų15393%0.9376%0.762SS**  trans-131.540.3164.9-72.5-161.4-4100112.1
135E49.8Very low45.7Very low188 Ų188148.6 Ų148.688%0.87975%0.751SS**SBendtrans-123.32-169.1-63.7-163.4-156.800116.8
136E49.6Very low47.7Very low186 Ų186148.7 Ų148.787%0.86974%0.739SS**  trans-129.120-177.6-150.8152.9-136.100115.9W138E136-W138 PolarHBondContact O-N 2.89Å; E136-W138 VanDerWaalsContact O-N 3.1Å
137E49.3Very low49.3Very low163 Ų163146 Ų14676%0.76273%0.726SS**  trans-8567.7179.7-162.4-168.2158.200113.6
138W35.7Very low51.2Low256 Ų256139.6 Ų139.697%0.9770%0.698SS**SBendtrans-132.814.4171.4-72.5101000114.6E136E136-W138 PolarHBondContact O-N 2.89Å; E136-W138 VanDerWaalsContact O-N 3.1Å
139A49.7Very low53.3Low89 Ų89141.5 Ų141.574%0.73670%0.696SS**SBendtrans-122.4-11.4-174.100000115.9
140E50.7Low55.4Low156 Ų156138.4 Ų138.473%0.72969%0.685SS**  trans-88.2-14.3-171.8-59.6-162.4147.500114.9E142 D143E140-E142 PolarHBondContact O-N 3.35Å; E140-D143 PolarHBondContact O-N 3Å
141H54.8Low56.8Low169 Ų169139.7 Ų139.778%0.78268%0.68SS**THydrogen-bonded Turntrans-80.945.8-174-160.2-61.9000114.4
142E52Low57.8Low145 Ų145140.3 Ų140.368%0.67867%0.672SS**THydrogen-bonded Turntrans-120.1-14.6159.4-70.7-65168.900111.8E140 Y144 T146E140-E142 PolarHBondContact O-N 3.35Å; E142-Y144 PolarHBondContact O-N 3.41Å; E142-T146 PolarHBondContact O-OG1 2.95Å
143D66Low59.1Low92 Ų92136.1 Ų136.149%0.49267%0.669SS.*Hα-helixtrans-72.2-26.6-173.4-106.240000113.9E140 M145 T146 Q147E140-D143 PolarHBondContact O-N 3Å; D143-M145 PolarHBondContact O-N 3.39Å; D143-T146 WeakPolarHBondContact CA-OG1 3.32Å; D143-T146 PolarHBondContact O-OG1 3.22Å; D143-T146 VanDerWaalsContact O-OG1 3.09Å; D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.46Å; D143-Q147 PolarHBondContact O-N 3.48Å; D143-Q147 PolarHBondContact OD2-NE2 3Å
144Y68.7Low60.1Low149 Ų149136.1 Ų136.158%0.58467%0.669SS**Hα-helixtrans-64.6-45.2-179.2-177.8-109.7000112.6E142 L148E142-Y144 PolarHBondContact O-N 3.41Å; Y144-L148 HydrophobicContact CD1-CD1 4.08Å; Y144-L148 HydrophobicContact CE1-CD1 3.53Å; Y144-L148 HydrophobicContact CE1-CG 4.22Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CD2 4.5Å; Y144-L148 HydrophobicContact CE2-CG 4.36Å; Y144-L148 WeakPolarHBondContact O-CB 3.08Å; Y144-L148 WeakPolarHBondContact O-CG 3.1Å; Y144-L148 PolarHBondContact O-N 3.01Å
145M68.1Low60.4Low113 Ų113132.7 Ų132.756%0.55765%0.653SS**Hα-helixtrans-73.5-35.5-178.4-69.4-58.9-62.400112.1D143 L148 L149D143-M145 PolarHBondContact O-N 3.39Å; M145-L148 PolarHBondContact O-N 3.34Å; M145-L148 HydrophobicContact SD-CD1 4.1Å; M145-L149 WeakPolarHBondContact O-CD1 3.5Å; M145-L149 PolarHBondContact O-N 2.82Å; M145-L149 VanDerWaalsContact O-N 3.08Å
146T69.6Low60.6Low65 Ų65127.6 Ų127.640%0.39965%0.65SS.*Hα-helixtrans-71-40.7174.658.80000111.4E142 D143 L148 L149 L150E142-T146 PolarHBondContact O-OG1 2.95Å; D143-T146 WeakPolarHBondContact CA-OG1 3.32Å; D143-T146 PolarHBondContact O-OG1 3.22Å; D143-T146 VanDerWaalsContact O-OG1 3.09Å; T146-L148 PolarHBondContact O-N 3.3Å; T146-L149 PolarHBondContact O-N 3.09Å; T146-L150 WeakPolarHBondContact O-CB 3Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.85Å
147Q69.1Low60.4Low105 Ų105124.4 Ų124.449%0.49164%0.638SS.*Hα-helixtrans-61.5-40.2171.7-74176.233.200111.7D143 L150 K151D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.46Å; D143-Q147 PolarHBondContact O-N 3.48Å; D143-Q147 PolarHBondContact OD2-NE2 3Å; Q147-L150 PolarHBondContact O-N 3.15Å; Q147-K151 WeakPolarHBondContact O-CB 3.41Å; Q147-K151 PolarHBondContact O-N 3.48Å
148L71.3Confident60.2Low51 Ų51126.6 Ų126.627%0.26765%0.645SS.*Hα-helixtrans-60.1-46.8172.7-76.6-179.3000111.7Y144 M145 T146 K151 F152Y144-L148 HydrophobicContact CD1-CD1 4.08Å; Y144-L148 HydrophobicContact CE1-CD1 3.53Å; Y144-L148 HydrophobicContact CE1-CG 4.22Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CD2 4.5Å; Y144-L148 HydrophobicContact CE2-CG 4.36Å; Y144-L148 WeakPolarHBondContact O-CB 3.08Å; Y144-L148 WeakPolarHBondContact O-CG 3.1Å; Y144-L148 PolarHBondContact O-N 3.01Å; M145-L148 PolarHBondContact O-N 3.34Å; M145-L148 HydrophobicContact SD-CD1 4.1Å; T146-L148 PolarHBondContact O-N 3.3Å; L148-K151 PolarHBondContact O-N 3.5Å; L148-F152 HydrophobicContact CD2-CD2 3.89Å; L148-F152 HydrophobicContact CD2-CE2 3.68Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.93Å
149L76.5Confident60.5Low124 Ų124121.4 Ų121.465%0.64963%0.632SS**Hα-helixtrans-63.4-41.7177.3-98.867.9000112.4M145 T146 G153M145-L149 WeakPolarHBondContact O-CD1 3.5Å; M145-L149 PolarHBondContact O-N 2.82Å; M145-L149 VanDerWaalsContact O-N 3.08Å; T146-L149 PolarHBondContact O-N 3.09Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.41Å
150L73.4Confident60.1Low130 Ų130125.4 Ų125.468%0.68164%0.635SS**Hα-helixtrans-69.6-37.8178.2-79.2159.4000112.9T146 Q147T146-L150 WeakPolarHBondContact O-CB 3Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.85Å; Q147-L150 PolarHBondContact O-N 3.15Å
151K69.3Low59.2Low151 Ų151123.1 Ų123.166%0.65763%0.632SS**Hα-helixtrans-81.1-27.4-175.9-169.7171.3-174.4172.20113.5Q147 L148Q147-K151 WeakPolarHBondContact O-CB 3.41Å; Q147-K151 PolarHBondContact O-N 3.48Å; L148-K151 PolarHBondContact O-N 3.5Å
152F71.3Confident58.3Low122 Ų122120.9 Ų120.954%0.53563%0.631SS.*Hα-helixtrans-119.3-23.6-177.1-61.6-70.3000114.8L148 N154 H155L148-F152 HydrophobicContact CD2-CD2 3.89Å; L148-F152 HydrophobicContact CD2-CE2 3.68Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.93Å; F152-N154 PolarHBondContact O-N 3.38Å; F152-N154 VanDerWaalsContact O-N 3.17Å; F152-H155 PolarHBondContact O-N 3.01Å; F152-H155 VanDerWaalsContact O-N 3.11Å
153G64.2Low57.2Low61 Ų61120.8 Ų120.863%0.62964%0.635SS**THydrogen-bonded Turntrans-65.7-17.8-177.200000115.3L149L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.41Å
154N59.6Low55.7Low144 Ų144121.7 Ų121.777%0.7765%0.648SS**THydrogen-bonded Turntrans-900.4175.9-75.5-38.6000114.2F152 G156F152-N154 PolarHBondContact O-N 3.38Å; F152-N154 VanDerWaalsContact O-N 3.17Å; N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.5Å
155H50.4Low54Low128 Ų128125.2 Ų125.259%0.59366%0.661SS**  trans-82.967.4174.3-75.7-58.1000112.5F152 I157F152-H155 PolarHBondContact O-N 3.01Å; F152-H155 VanDerWaalsContact O-N 3.11Å; H155-I157 PolarHBondContact O-N 3.36Å
156G53.7Low52.5Low80 Ų80125.9 Ų125.983%0.82567%0.674SS**  trans-68.188.3166.300000111.3N154N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.5Å
157I45.3Very low50.6Low120 Ų120129 Ų12962%0.61569%0.693SS**  trans-112.383.4178.6-56.1-176.7000110.1H155 Q159H155-I157 PolarHBondContact O-N 3.36Å; I157-Q159 HydrophobicContact CG2-CB 3.58Å; I157-Q159 PolarHBondContact O-N 3.19Å
158F44.7Very low48.9Very low209 Ų209130.8 Ų130.892%0.91771%0.705SS**  trans-76.293155.1-134.1-83000107
159Q41.6Very low47Very low147 Ų147137.9 Ų137.969%0.68773%0.734SS**  trans-133.4101.9175-169.3157.772.600110.6I157 T161I157-Q159 HydrophobicContact CG2-CB 3.58Å; I157-Q159 PolarHBondContact O-N 3.19Å; Q159-T161 HydrophobicContact CG-CG2 4.38Å; Q159-T161 PolarHBondContact O-N 3.29Å
160Q41.5Very low44.8Very low172 Ų172143.4 Ų143.480%0.80475%0.747SS**  trans-68.9108.4168.8-69.7175.9-29.900109.2
161T31.8Very low42.9Very low108 Ų108145.2 Ų145.266%0.66376%0.756SS**  trans-101.494.2163.550.60000108.9Q159 D163Q159-T161 HydrophobicContact CG-CG2 4.38Å; Q159-T161 PolarHBondContact O-N 3.29Å; T161-D163 VanDerWaalsContact C-N 3.29Å; T161-D163 PolarHBondContact O-N 2.78Å
162T36.6Very low41.2Very low123 Ų123142.3 Ų142.376%0.75576%0.76SS**  trans-74.281.9171.751.40000109.9S164T162-S164 VanDerWaalsContact C-N 3.3Å; T162-S164 PolarHBondContact O-N 2.97Å
163D28.8Very low39.2Very low142 Ų142145.2 Ų145.276%0.75978%0.775SS**  trans-80.477.4174.4-110.2-41000110.8T161 R165T161-D163 VanDerWaalsContact C-N 3.29Å; T161-D163 PolarHBondContact O-N 2.78Å; D163-R165 PolarHBondContact O-N 3.35Å
164S35Very low37.9Very low112 Ų112150.7 Ų150.778%0.78379%0.786SS**  trans-77.8103.3165.643.60000109.9T162T162-S164 VanDerWaalsContact C-N 3.3Å; T162-S164 PolarHBondContact O-N 2.97Å
165R32Very low36.7Very low222 Ų222152 Ų15284%0.83879%0.793SS**  trans-106.8142.9163.3-86-170.5169.9-160.2-3.1111.4D163 T167D163-R165 PolarHBondContact O-N 3.35Å; R165-T167 PolarHBondContact O-N 2.75Å
166P36Very low36.1Very low128 Ų128153.9 Ų153.983%0.83181%0.806SS**  trans-80.7123.2-167.231-34.6000112.1
167T31.3Very low35.2Very low131 Ų131159.7 Ų159.780%0.80481%0.809SS**  trans-100.8108.5153.3-61.60000106.9R165R165-T167 PolarHBondContact O-N 2.75Å
168D32.4Very low34.6Very low141 Ų141159.4 Ų159.475%0.75482%0.817SS**  trans177120.7151.3-92.2-22.6000108.6
169F30.9Very low34.1Very low200 Ų200158.8 Ų158.888%0.87781%0.814SS**  trans-151.827.3176.6-125.4-73.4000114.9
170W30.3Very low33.7Very low240 Ų240159.5 Ų159.591%0.90982%0.817SS**  trans-139.9131.3159.8-56.397.6000104.5
171I34.8Very low33.1Very low169 Ų169159 Ų15987%0.86782%0.815SS**  -145.616355.8-79.1158.6000110
172A32.4Very low33Very low90 Ų90158.3 Ų158.374%0.74482%0.815SS**  trans-67.4151.2-175.100000115.4
173E29.2Very low32.7Very low182 Ų182157 Ų15785%0.8581%0.81SS**  trans-64.6138.9169-60.8174.3128.200111.9
174M37.2Very low33.1Very low177 Ų177158.4 Ų158.487%0.87281%0.81SS**  trans-145.7103.4159.6-85.4-69.2100.800109.4I176M174-I176 PolarHBondContact O-N 2.84Å
175D35.1Very low33.2Very low170 Ų170162.2 Ų162.291%0.90981%0.812SS**  trans-66.9118.8177.6-96.8-39.3000112.3
176I38.1Very low33.7Very low169 Ų169161.2 Ų161.287%0.86781%0.814SS**  trans-131.1146.9164-59.5-175.5000109.8M174M174-I176 PolarHBondContact O-N 2.84Å
177K35.3Very low33.4Very low202 Ų202158.2 Ų158.288%0.87881%0.806SS**  trans-132.4101.4-142.3179-179.3-178.4172.50113.8
178S32.7Very low33.6Very low113 Ų113159.8 Ų159.879%0.7981%0.809SS**  trans-143.9130.6163.948.30000108.4
179K33.1Very low33.7Very low196 Ų196158.8 Ų158.885%0.85281%0.807SS**  cis58.685.839.8-81.7-160.3171.1-167.30114.5
180Q32.9Very low34Very low163 Ų163154.3 Ų154.376%0.76280%0.801SS**  -171.8135.2102.2-98.3-172.8-80.700108.9
181E28.8Very low34.5Very low160 Ų160152.2 Ų152.275%0.74880%0.798SS**  59.5130.991-70.4-172.2134.300114.9
182S30.8Very low34.8Very low94 Ų94153.5 Ų153.566%0.65780%0.798SS**  cis-163.3161.1-1.462.20000114.3
183S30Very low35.3Very low95 Ų95160.5 Ų160.566%0.66481%0.806SS**  trans75.1154.7147.188.50000118.8
184K36.3Very low35.6Very low173 Ų173160.1 Ų160.175%0.75280%0.804SS**  cis-163.8115.7-18.3-113.6168.7-164.51610110.3
185K37.1Very low35.8Very low192 Ų192156.1 Ų156.184%0.83580%0.8SS**  trans66.1164.5157.7-45.7175.7-179.5-175.60114.2
186K42.3Very low36.1Very low201 Ų201154 Ų15487%0.87479%0.788SS**  cis-129.21496.3-57.8164.6-173.9171.10107.6
187G30Very low36.6Very low64 Ų64153.4 Ų153.466%0.6678%0.784SS**  90.692.879.400000110.1
188L36.9Very low37Very low165 Ų165154.4 Ų154.486%0.86478%0.784SS**  108128.769.8-93168.4000110.7
189V34.2Very low37.3Very low119 Ų119161.8 Ų161.872%0.72180%0.795SS**  trans54.996.3150.6-177.20000116.6
190S36.7Very low37.6Very low106 Ų106158.2 Ų158.274%0.74179%0.789SS**  73.1144.773.4-56.30000116.3
191K41.4Very low37.9Very low196 Ų196158.6 Ų158.685%0.85279%0.791SS**  trans65.8121.2167-75.8179.8175177.60115
192K40.1Very low38.6Very low197 Ų197156 Ų15686%0.85779%0.791SS**  -153.216754-87.4127.3178.5-173.90113.5
193Y42.9Very low39Very low236 Ų236159.4 Ų159.493%0.92580%0.796SS**  trans-60.5134.6153-76.6-111.7000110.2
194Q35.8Very low39.8Very low174 Ų174161.7 Ų161.781%0.81380%0.801SS**  trans-148.8134.5143.6-166.4158.9-19.100107.9
195A42.2Very low39.9Very low94 Ų94156.7 Ų156.778%0.77780%0.799SS**  trans-106.5113.4177.500000108.5
196D40.6Very low40.6Very low124 Ų124156.5 Ų156.566%0.66381%0.805SS**  trans-130.7118.5159.5-75.7-65.4000105.4
197M48.3Very low40.7Very low158 Ų158150.3 Ų150.378%0.77880%0.799SS**  57.770.771.1-72.4-76-70.800112.5
198Y43.6Very low41.2Very low223 Ų223154.9 Ų154.988%0.87581%0.808SS**  trans-163.9106136.3-89.3-58.7000110.6T200Y198-T200 PolarHBondContact O-N 3.42Å
199W39.1Very low41.8Very low268 Ų268151.6 Ų151.6100%1.01580%0.799SS**  trans-85.8101.6166.1-83.292.6000109.5
200T40.7Very low42.3Very low120 Ų120149.9 Ų149.974%0.73680%0.798SS**  trans-82.6114.7171.7140000111.5Y198Y198-T200 PolarHBondContact O-N 3.42Å
201Q38.8Very low42.7Very low171 Ų171156.2 Ų156.280%0.79981%0.807SS**  56.788.6127.9-169.4177.84.100117.5
202S44Very low42.7Very low107 Ų107150.4 Ų150.475%0.74880%0.803SS**  -174.2103.7106.4-75.50000113.5
203Q39.2Very low42.6Very low164 Ų164146.7 Ų146.777%0.76680%0.802SS**  50.1117117.4-158.21663.800121.3
204D44.8Very low42.5Very low144 Ų144144.4 Ų144.477%0.7780%0.799SS**  trans45.9128.4143.8-43.5-19.9000121.3
205G39.8Very low43.3Very low68 Ų68142.4 Ų142.470%0.70180%0.801SS**  cis157.7149.6-11.300000116
206L51.3Low43Very low187 Ų187141 Ų14198%0.97980%0.795SS**  trans65.3143.3153.6-53.8177.8000121.2
207G43.5Very low43.6Very low72 Ų72141.6 Ų141.674%0.74281%0.806SS**  trans108.870.1175.500000112
208D40.9Very low42.9Very low159 Ų159138.7 Ų138.785%0.8581%0.807SS**  65.4158.460.1-157.422.6000114.7
209S49Very low42.5Very low96 Ų96133.4 Ų133.467%0.67180%0.803SS**  trans-102.4158.7-136-45.10000114.7
210A46.2Very low42.5Very low84 Ų84125.4 Ų125.469%0.69479%0.788SS**  trans79.4159.8141.600000120.8
211Y43.7Very low42.6Very low238 Ų238130.9 Ų130.993%0.93380%0.795SS**  trans61.8113.2176.8-72.3-83.2000117.4
212G41.8Very low42.8Very low74 Ų74130.9 Ų130.976%0.76379%0.793SS**  trans-83.2178.2-173.500000115.1
213S39.4Very low42.6Very low120 Ų120133 Ų13384%0.83979%0.794SS**  trans-150.3136.4163.1-780000108.8
214H41Very low42.7Very low188 Ų188132.1 Ų132.187%0.8779%0.79SS**  trans-70.2140-179.3-59.4-95.4000110.9G216H214-G216 PolarHBondContact O-N 3.08Å
215P50.6Low42.5Very low132 Ų132133.3 Ų133.386%0.85779%0.791SS**  trans-72.397165.230-32.1000109.7
216G36.1Very low42.5Very low63 Ų63136.8 Ų136.865%0.64979%0.792SS**  trans-70.4145.8165.900000111.1H214 A218H214-G216 PolarHBondContact O-N 3.08Å; G216-A218 PolarHBondContact O-N 3.24Å
217P54.4Low42Very low137 Ų137135.7 Ų135.789%0.8978%0.782SS**  trans-81.2120.6-169.530.7-34.8000113.2
218A33.8Very low41.7Very low97 Ų97139.8 Ų139.880%0.80279%0.786SS**  trans-156130164.500000114.2G216G216-A218 PolarHBondContact O-N 3.24Å
219S34Very low41.3Very low112 Ų112138.3 Ų138.378%0.78378%0.779SS**  trans54.892.4147.3-173.30000120.6
220S39.1Very low40.7Very low101 Ų101143.5 Ų143.571%0.70679%0.792SS**  41.9111.7115.9-170.70000119.6
221R43.1Very low39.9Very low235 Ų235145 Ų14589%0.88780%0.797SS**  -169.1127.4125.4-102.4155.4-166.4-153.52.3113.8
222K42.5Very low39.4Very low171 Ų171138.4 Ų138.474%0.74379%0.792SS**  trans19.9116.8144.4-172.9177.8-178.7177.80118.3
223I39.9Very low39Very low152 Ų152138.8 Ų138.878%0.77980%0.797SS**  trans-122.7143.4150.1-53.6179000107.7
224Q42.6Very low38.6Very low145 Ų145137.2 Ų137.268%0.67880%0.799SS**  trans-14494.3-178.6174.7-169.2-14.300107.5
225E40.1Very low38Very low169 Ų169131.8 Ų131.879%0.7979%0.794SS**  trans-145.4109.5174.9-95.4148.3-155.300105.6
226L38.4Very low37.4Very low140 Ų140134 Ų13473%0.73380%0.798SS**  84.486.670.7-75.3169.1000112.8
227E41.2Very low37.5Very low165 Ų165137 Ų13777%0.77181%0.806SS**  45.9113.2109-173.2172.3-128.700117.8
228L38.3Very low36.5Very low157 Ų157133.9 Ų133.982%0.82280%0.799SS**  trans-151.8109143.1-152.267.2000113.2
229D32.4Very low36.5Very low129 Ų129138.8 Ų138.869%0.6981%0.805SS**  trans32.6124.2151.3-61.9-44.4000122.2
230Q36.2Very low36.5Very low204 Ų204139.4 Ų139.495%0.95380%0.796SS**  -141.8144.5122.9-118.8158.1108.300111.5
231S29.1Very low36.5Very low115 Ų115140.3 Ų140.380%0.80480%0.799SS**  trans-96.1156.6-147-159.50000116.1
232A33.6Very low36Very low100 Ų100136.1 Ų136.183%0.82679%0.79SS**  trans63.1109.7151.600000120
233G32.5Very low35.5Very low83 Ų83138.2 Ų138.286%0.85679%0.793SS**  trans17064.5167.400000113.8
234G31.8Very low35.2Very low87 Ų87142 Ų14290%0.89780%0.799SS**  trans-79.7145.3-174.500000114.6
235G28.9Very low35Very low74 Ų74139 Ų13976%0.76380%0.799SS**  trans178.461.6-179.900000118.9
236L37Very low34.6Very low177 Ų177139 Ų13993%0.92780%0.804SS**  trans71.8160.6161-58.4176.2000118
237P38.3Very low34.6Very low127 Ų127137.1 Ų137.183%0.82580%0.803SS**  trans-110.2159.4-157.640.3-32.5000115.4
238G33Very low34.3Very low72 Ų72136.8 Ų136.874%0.74281%0.806SS**  trans-175.780.217500000115.4
239E35.3Very low34.5Very low199 Ų199138.8 Ų138.893%0.9381%0.811SS**  trans66143.8156.2-54.3-169.415400120.8
240E33Very low34.6Very low126 Ų126138.2 Ų138.259%0.58982%0.816SS**  trans-105.8123-172.3174.6-169.2135.100110.6Q242E240-Q242 HydrophobicContact CG-CG 4.16Å; E240-Q242 PolarHBondContact O-N 3.49Å; E240-Q242 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q242 PolarHBondContact OE1-NE2 3.48Å
241P39.3Very low34.8Very low119 Ų119136.7 Ų136.777%0.77381%0.812SS**  trans-76.593.2174.4-15.431000111.6
242Q32.8Very low35Very low148 Ų148137.3 Ų137.369%0.69281%0.811SS**  trans-73.4136.5176.4-73.5-170.9-11.100112.8E240E240-Q242 HydrophobicContact CG-CG 4.16Å; E240-Q242 PolarHBondContact O-N 3.49Å; E240-Q242 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q242 PolarHBondContact OE1-NE2 3.48Å
243W32.7Very low34.9Very low215 Ų215139.4 Ų139.481%0.81481%0.814SS**  trans-72.9142.8-179.7-36.3-93.4000111.6
244Y33.9Very low35Very low232 Ų232143.9 Ų143.991%0.9181%0.813SS**  trans-136.4135.6151.5-112.7-85.5000111.1
245A36.4Very low35.1Very low82 Ų82148.4 Ų148.468%0.67881%0.808SS**  trans-84.9154.6170.200000110.1
246N33.5Very low35.5Very low168 Ų168154 Ų15490%0.89881%0.811SS**  trans-149.8145.5146.3-106.8-24000110.8
247S37Very low35.3Very low101 Ų101155.2 Ų155.271%0.70681%0.809SS**  trans-104.3151.8-179-71.10000110.7
248L35.9Very low35.1Very low158 Ų158155.1 Ų155.183%0.82781%0.806SS**  trans53.597151.1-63.5165.5000117.4
249E42.5Very low35Very low199 Ų199158.3 Ų158.393%0.9381%0.806SS**  trans-124.6150.4141.5-73.7-161167.900110.5
250C33.8Very low35Very low117 Ų117158 Ų15879%0.79181%0.805SS**  trans-105.1157.1-164-750000114.1T252C250-T252 PolarHBondContact O-N 2.85Å
251I40.8Very low34.8Very low171 Ų171158.2 Ų158.288%0.87782%0.82SS**  trans-51.495.5176.5-49163.4000112.7
252T33Very low34.5Very low129 Ų129156.2 Ų156.279%0.79181%0.813SS**  trans-153.271.7155.544.80000111.9C250C250-T252 PolarHBondContact O-N 2.85Å
253T31.2Very low34.8Very low143 Ų143160 Ų16088%0.87782%0.822SS**  trans-112.283.316540.60000109.9
254E35.1Very low34.8Very low177 Ų177157 Ų15783%0.82782%0.822SS**  trans-67.7148.6176.7-82.1-153.7166.500113.3
255F33.7Very low34.9Very low182 Ų182150.4 Ų150.480%0.79881%0.809SS**  trans12.9140139.9-82.6-96.3000121
256K36.7Very low35.1Very low192 Ų192152.9 Ų152.984%0.83582%0.815SS**  trans85.999.8158.8-64.6168.1-176.3174.20118.1
257K34.1Very low35.3Very low203 Ų203152.7 Ų152.788%0.88381%0.809SS**  trans-51.2134.7136.4-51.3165.2179.6177.20109.7
258T32.5Very low35.7Very low124 Ų124153.9 Ų153.976%0.76182%0.817SS**  -178.8153.4121.530.20000111.8
259D31.7Very low36.2Very low139 Ų139154 Ų15474%0.74382%0.818SS**  trans62.490.8155.7-56.5-9000121
260Q34.7Very low36.3Very low194 Ų194149 Ų14991%0.90781%0.81SS**  11.3114.4118.6-59.6171.47.900117.8
261S30.3Very low36.7Very low129 Ų129151.1 Ų151.190%0.90281%0.813SS**  -161.5169.7121.8-162.20000110.4
262A32.7Very low36.5Very low77 Ų77148.4 Ų148.464%0.63681%0.809SS**  trans-94.2148.4-178.800000112.6
263R37.8Very low36.6Very low229 Ų229149.1 Ų149.186%0.86481%0.808SS**  trans40.7113.8148.8-60.2176-177.6-178.2-0.5117.8
264D33.3Very low36.8Very low152 Ų152150.3 Ų150.381%0.81381%0.808SS**  -173152.196.4-99-19.4000115
265S36.8Very low37.3Very low93 Ų93148.2 Ų148.265%0.6581%0.807SS**  trans31.6120.3142.5-57.30000123.6
266V39.1Very low37.4Very low133 Ų133142.6 Ų142.681%0.80680%0.8SS**  trans66.2144132.9-49.60000123.1
267E39Very low37.5Very low164 Ų164138.6 Ų138.677%0.76680%0.803SS**  trans61120.5144.8-163.6160.9-139.700119.8
268S44.4Very low37.4Very low126 Ų126134.9 Ų134.988%0.88180%0.803SS**  trans-153.473.1164.4-780000111.6
269L47.6Very low37.8Very low162 Ų162135.9 Ų135.985%0.84881%0.808SS**  trans-83.8110.9156.8-76.5175.1000109.2
270A45Very low37.8Very low92 Ų92134.7 Ų134.776%0.7681%0.809SS**  trans-153.899.2165.800000111.3
271L41.3Very low37.9Very low163 Ų163128.9 Ų128.985%0.85380%0.802SS**  trans-73144.6159.6-71.5170.2000108.7
272S36.8Very low38.2Very low113 Ų113129.6 Ų129.679%0.7980%0.796SS**  trans-146.1107.5167.2-800000110.4
273N34.5Very low38.4Very low144 Ų144136.5 Ų136.577%0.7781%0.807SS**  trans-81.2141.7176.9-55.2-51.9000109.9
274I35.2Very low38.3Very low169 Ų169134.9 Ų134.987%0.86781%0.806SS**  trans-129.4100.3160.8-57.4-177.5000108.7
275T45.3Very low38.3Very low133 Ų133132.1 Ų132.182%0.81681%0.805SS**  trans-92.7142.2166.1-57.30000108.6
276G35.9Very low38.3Very low63 Ų63139.5 Ų139.565%0.64982%0.818SS**  trans-81.7-157.6178.600000114.6
277A38.6Very low37.9Very low109 Ų109137.7 Ų137.790%0.90181%0.811SS**  trans76.4102.1-175.700000115.7
278S32.4Very low37.7Very low125 Ų125138.5 Ų138.587%0.87482%0.815SS**  trans-101.1116165.8172.90000109.7
279V41.2Very low37.2Very low144 Ų144138.7 Ų138.787%0.87381%0.811SS**  trans-142.2143.7161.3-179.30000107.6
280C31.8Very low36.2Very low114 Ų114141.4 Ų141.477%0.7781%0.811SS**  trans-78.4153.7-171.6-165.30000113.9
281G37.1Very low35.4Very low73 Ų73142.8 Ų142.875%0.75382%0.815SS**  trans-177.396.1171.400000113.2
282D36.4Very low35Very low143 Ų143141.4 Ų141.477%0.76581%0.808SS**  trans-75.2130.3176.9-57.9-79.7000113
283Y37.5Very low34.7Very low223 Ų223143.9 Ų143.988%0.87581%0.807SS**  -170.7146.2124.249.1-109000115.9
284K35.6Very low34.4Very low194 Ų194141.1 Ų141.184%0.84380%0.804SS**  trans0.6117.4155.2-57.9163.9-173.61720116.4
285A33.3Very low34.1Very low95 Ų95140 Ų14079%0.78580%0.799SS**  91.214353.500000115.2
286R37Very low33.5Very low248 Ų248141.1 Ų141.194%0.93680%0.795SS**  trans76.7146176.7-146.9170.1-159.3148.47.4114.4
287S30.9Very low33.2Very low94 Ų94143.6 Ų143.666%0.65779%0.793SS**  cis155.4125.6-32.3168.30000107.2
288Q34.8Very low33.2Very low181 Ų181147.5 Ų147.585%0.84679%0.786SS**  trans161.9157.1156.8-93.51549.100108.3
289V32.8Very low33.2Very low131 Ų131150.4 Ų150.479%0.79479%0.786SS**  cis174.1147.3-31.8137.60000104.1
290Y27.6Very low33.2Very low219 Ų219147.8 Ų147.886%0.85978%0.779SS**  trans-42.9145.4179-96.9-112.9000116.8
291S27.8Very low33.4Very low121 Ų121151.1 Ų151.185%0.84678%0.783SS**  -158.8171.1123.8-159.30000111.2
292L32.3Very low33.1Very low134 Ų134154.4 Ų154.470%0.70278%0.784SS**  trans-128.6160.9-172.4-92.5173.9000113.9
293Q31.4Very low33.1Very low165 Ų165152.2 Ų152.277%0.77178%0.779SS**  trans84.9134.1149.1-135.36619.800121.2
294A28.7Very low33.1Very low85 Ų85148.6 Ų148.670%0.70277%0.774SS**  trans68.8145.6160.400000116.9
295L28.7Very low33.7Very low146 Ų146147.5 Ų147.576%0.76477%0.769SS**  cis-153.3157.9-4.9-152.581.9000108.8
296H30.8Very low34.7Very low156 Ų156149.1 Ų149.172%0.72277%0.77SS**  trans59.5128.6152.9-107.6-105.3000120.4
297D30.7Very low34.8Very low115 Ų115143 Ų14362%0.61577%0.765SS**  161.6159.8105.3-95.7-17000115.3
298Y38.9Very low35.6Very low191 Ų191146.1 Ų146.175%0.74978%0.775SS**  trans46.899.6167.8-62.1-64.8000121.1
299E32.6Very low36.1Very low187 Ų187145.6 Ų145.687%0.87477%0.774SS**  42.9151.6100.3-153.8156.1-141.800120.6
300A39.9Very low36.7Very low89 Ų89142 Ų14274%0.73676%0.763SS**  trans-81.3152.4-165.300000115.2
301E35.8Very low37.3Very low184 Ų184138.1 Ų138.186%0.8676%0.762SS**  trans-142.3160.5149-99.9-56.6169.100111.1
302D32.4Very low38Very low141 Ų141140.7 Ų140.775%0.75477%0.766SS**  trans-75.8165.8-166.4-153.9-11000114.4
303C34.8Very low38.2Very low98 Ų98142.2 Ų142.266%0.66278%0.775SS**  trans-143.973.4-179.6-100.90000113.9K305C303-K305 PolarHBondContact O-N 3.11Å
304D38.1Very low38.3Very low146 Ų146139.5 Ų139.578%0.78177%0.774SS**  trans-36123.7164.2-89.1-56.8000114.3
305K47.6Very low38.9Very low171 Ų171140.8 Ų140.874%0.74378%0.778SS**  trans-144.686.1155.9-96.3106.7-158.3162.90113.3C303C303-K305 PolarHBondContact O-N 3.11Å
306T54.5Low39.2Very low130 Ų130142.3 Ų142.380%0.79878%0.783SS**  trans49.994.3135.760.10000118
307S40Very low39.7Very low120 Ų120142 Ų14284%0.83979%0.786SS**  trans-75.5142.4149.2630000109.9
308N46.7Very low40.1Very low159 Ų159144.7 Ų144.785%0.8580%0.795SS**  trans-11296173.3-176.84.1000109.2
309M46.1Very low40Very low170 Ų170147.5 Ų147.584%0.83780%0.804SS**  trans-134.7115.3175.6-94.4-86.572.500111.9
310G44.7Very low40.2Very low54 Ų54144.1 Ų144.156%0.55780%0.801SS**  trans-160.1154164.800000109.3
311T40.8Very low40.1Very low138 Ų138144.8 Ų144.885%0.84781%0.806SS**  cis-137.4139.33.349.70000110.7
312L42.4Very low40.1Very low176 Ų176143.5 Ų143.592%0.92181%0.805SS**  trans-117.9138.4159.4-75.9179.6000108.7
313N36Very low40.1Very low166 Ų166141.9 Ų141.989%0.88881%0.805SS**  trans-90.8127.5-166.7-167.3-3.3000110.5
314S33.2Very low40.3Very low108 Ų108144.5 Ų144.576%0.75581%0.811SS**  trans-132.3118.9-179.558.20000111.7
315S41.6Very low40.2Very low111 Ų111145.9 Ų145.978%0.77681%0.81SS**  trans-121.282.417563.50000110.8
316M34.9Very low39.5Very low178 Ų178142.4 Ų142.488%0.87781%0.808SS**  trans16.4112.1142.6-70.7-80.4-75.800117.5
317L41.4Very low38.6Very low149 Ų149142.3 Ų142.378%0.7880%0.802SS**  trans-147.8131.5146.5-89.9-166.5000113.2
318H39Very low38.4Very low173 Ų173144.4 Ų144.480%0.80180%0.798SS**  trans65.6133.5165.7-56.1-60.6000120.8
319R36.4Very low38.2Very low249 Ų249145.7 Ų145.794%0.9480%0.799SS**  trans-95.5154.5169.4-71.2179.7167.4-171.8-5110.3
320S37.6Very low37.8Very low117 Ų117144.3 Ų144.382%0.81880%0.795SS**  trans-85.9155.3168.449.60000112.7
321A37.1Very low37.5Very low102 Ų102146.5 Ų146.584%0.84380%0.798SS**  trans-153.9152164.900000109.5
322N35.9Very low37.2Very low157 Ų157145.3 Ų145.384%0.8479%0.79SS**  trans-113.5161.1-167.9-70.6-26.3000113.9
323S32.9Very low36.9Very low107 Ų107145 Ų14575%0.74878%0.784SS**  trans68.5114.1143.3-1640000121
324L38.3Very low36.8Very low153 Ų153143.1 Ų143.180%0.80178%0.779SS**  trans-138.7116.1139.4-71.1-179.3000105.6
325K38Very low37Very low175 Ų175142.1 Ų142.176%0.76178%0.776SS**  89.5125.379.2-84-163.4-177.6-174.70114.8
326S31.3Very low36.5Very low98 Ų98145.2 Ų145.269%0.68578%0.779SS**  trans90.2131.5134.9-76.30000123
327L35.6Very low36.6Very low129 Ų129143 Ų14368%0.67578%0.775SS**  trans87.7113.9141.7-96.774.6000121.2
328E36.2Very low36.8Very low164 Ų164141 Ų14177%0.76677%0.771SS**  trans62.2153.6132.8-73150.3-149.300119.2
329E42.1Very low36.5Very low185 Ų185140.5 Ų140.586%0.86477%0.773SS**  cis-138.9-179.610.9-150.9173.5171.600110.7
330D38Very low36.4Very low141 Ų141137 Ų13775%0.75477%0.768SS**  trans-118.7-153.1178.7-150.52.1000108.9
331V38.8Very low36.1Very low101 Ų101140.1 Ų140.161%0.61277%0.769SS**  cis-153.8146.59.6-131.50000109.2
332T33.8Very low36.3Very low113 Ų113145.1 Ų145.169%0.69377%0.766SS**  trans63.7159.315360.60000119.5
333E35.9Very low36.4Very low170 Ų170143.8 Ų143.879%0.79477%0.766SS**  cis-166.4-175.8-19.2-108.9-176.2168.200111
334V35.6Very low36.8Very low126 Ų126147 Ų14776%0.76477%0.767SS**  trans82.895.4156.2-1610000120.6
335A36.2Very low37.1Very low86 Ų86145.5 Ų145.571%0.71177%0.766SS**  38.6133.3126.800000125.4
336E32.3Very low37.1Very low177 Ų177145.3 Ų145.383%0.82777%0.767SS**  trans67.4107.6137.6-67.9-165.5149.500124.3
337V36.4Very low37.8Very low131 Ų131146.7 Ų146.779%0.79477%0.771SS**  58.3143.1110.8172.60000119.3
338P44.8Very low38.1Very low107 Ų107146.1 Ų146.170%0.69578%0.775SS**  cis-133.9171.815.126.8-2.1000118.7
339L33.7Very low38Very low163 Ų163142.9 Ų142.985%0.85378%0.777SS**  trans27123.4146.2-72154.7000121.7
340Q33.2Very low37.8Very low175 Ų175142.7 Ų142.782%0.81878%0.781SS**  -168.2155101.3-107.3-175.433.200115.8
341E32.3Very low38.1Very low183 Ų183147.5 Ų147.586%0.85579%0.788SS**  trans55.1158.8159.4-61.2-149.2123.800123.4
342R39.9Very low38Very low207 Ų207154.6 Ų154.678%0.78180%0.804SS**  trans-131.9148.8-178.2-121.7-171.5-178.9175.64.5108.9
343P38Very low38.1Very low128 Ų128154.1 Ų154.183%0.83181%0.812SS**  -138.9168.7119.926.1-8.3000114.5
344K42.9Very low38.2Very low176 Ų176157.9 Ų157.977%0.76582%0.819SS**  trans-107.3149.9169.7-64.1177.5178.2178.10110.3
345P44Very low38.5Very low121 Ų121157.7 Ų157.779%0.78682%0.823SS**  trans-124.8129.713532.7-22.1000109.8
346H37.4Very low38.8Very low171 Ų171163 Ų16379%0.79283%0.833SS**  76.312157.8-164-68.7000113.7
347V47.2Very low39.2Very low126 Ų126160.4 Ų160.476%0.76483%0.834SS**PPolyproline II helixtrans-102132.5-174.1-163.50000111.2
348P41.3Very low39.3Very low117 Ų117165.3 Ų165.376%0.7684%0.838SS**PPolyproline II helixtrans-90.5136.6171.2-6.625.8000112.7
349A33.6Very low39.2Very low97 Ų97166.2 Ų166.280%0.80284%0.844SS**PPolyproline II helixtrans-85.3151.6177.500000113.6
350L38.2Very low39.5Very low181 Ų181167.1 Ų167.195%0.94884%0.844SS**PPolyproline II helixtrans-69.1128.5177.9-79.9162.7000112.5
351R43.5Very low40Very low242 Ų242167.7 Ų167.791%0.91385%0.847SS**PPolyproline II helixtrans-92.5135.9170.9-67.6179.1175.7153.8-1.6110.6
352R38.5Very low40.3Very low250 Ų250164.7 Ų164.794%0.94384%0.841SS**PPolyproline II helixtrans-82.1133.2168.1-64.6-177.1-178.3122.3-1.2110
353A35.5Very low40.6Very low103 Ų103164 Ų16485%0.85184%0.843SS**PPolyproline II helixtrans-82.4145.9173.300000111.4
354R38.3Very low40.5Very low249 Ų249167 Ų16794%0.9484%0.844SS**PPolyproline II helixtrans-89.8129.5166.3-70.2179.8172.5-174.1-3.4109.1
355S40.3Very low40.5Very low121 Ų121163.9 Ų163.985%0.84684%0.844SS**PPolyproline II helixtrans-96.1139.2160.744.90000109.6
356Q44.1Very low40.7Very low199 Ų199164.7 Ų164.793%0.9384%0.841SS**PPolyproline II helixtrans-92.3140.7169.6-65.7-175.30.500109.4
357S39.2Very low41.2Very low121 Ų121163.9 Ų163.985%0.84684%0.843SS**  trans-131147.4159.157.80000109.1
358R40Very low41.1Very low235 Ų235163.6 Ų163.689%0.88784%0.841SS**PPolyproline II helixtrans-101131-166.7-172.7-178-174-173.32.8109Q360R358-Q360 PolarHBondContact O-N 2.83Å
359P42Very low41.4Very low125 Ų125164 Ų16481%0.81284%0.841SS**PPolyproline II helixtrans-66.8121.917727.3-33.2000109.5
360Q39.4Very low41.5Very low182 Ų182166.8 Ų166.885%0.8584%0.843SS**PPolyproline II helixtrans-97.9129.1172.7-171.1165.3-7.700108.6R358 V362R358-Q360 PolarHBondContact O-N 2.83Å; Q360-V362 PolarHBondContact O-N 3.25Å
361Q43.6Very low41.7Very low188 Ų188165.6 Ų165.688%0.87984%0.837SS**PPolyproline II helixtrans-69.2118.6-172.9-64.5166.4-61.400110.8
362V39.6Very low41.4Very low120 Ų120157.4 Ų157.473%0.72783%0.828SS**  trans-80.3114.6157.8178.60000106.6Q360 F364Q360-V362 PolarHBondContact O-N 3.25Å; V362-F364 PolarHBondContact O-N 2.98Å
363K45.7Very low41.8Very low193 Ų193154.5 Ų154.584%0.83983%0.825SS**  trans-73.3122.6167.7-72.8-174.2174.1-172.10108.2
364F36.9Very low42Very low191 Ų191161 Ų16184%0.83883%0.829SS**  trans-75.4132.9154.9-66.7-91.2000107.4V362 D366V362-F364 PolarHBondContact O-N 2.98Å; F364-D366 PolarHBondContact O-N 3.46Å
365S41.3Very low41.9Very low110 Ų110152.5 Ų152.577%0.76982%0.819SS**  trans-78113158.7-62.10000106.9
366D49.3Very low42.3Very low137 Ų137150.5 Ų150.573%0.73382%0.818SS**  trans-82.3121.8155.7179.527.9000106.6F364F364-D366 PolarHBondContact O-N 3.46Å
367D47.3Very low42.7Very low154 Ų154148.5 Ų148.582%0.82481%0.813SS**  trans-154.290.4171.9-91-48.8000107.5
368V45.2Very low43.2Very low120 Ų120148.8 Ų148.873%0.72781%0.812SS**  trans-79.1128.5176170.10000110.2
369V47.9Very low43.6Very low125 Ų125145.7 Ų145.776%0.75881%0.812SS**  trans24.1114.7154-174.60000117.7
370D36.2Very low43.7Very low156 Ų156151.1 Ų151.183%0.83482%0.816SS**  trans-141.8147.2136.9-163.611.4000111.5
371N41Very low44.2Very low157 Ų157150.4 Ų150.484%0.8481%0.812SS**  trans-103.781.5-175.6-100.4-16.4000110.6
372G38.5Very low44.4Very low70 Ų70146.4 Ų146.472%0.72280%0.803SS**  trans-106.4112.3179.700000114.3
373H46.7Very low44.9Very low188 Ų188147 Ų14787%0.8781%0.809SS**  trans-62.4133.5165.5-94.751.2000111.3
374Y39.6Very low45Very low240 Ų240146.1 Ų146.194%0.94181%0.81SS**  trans-166.6138.3140.6-115-70.8000114.4
375G36.6Very low45.4Very low70 Ų70142.7 Ų142.772%0.72281%0.81SS**  trans56.2104.7144.400000119.9
376G47.4Very low45.9Very low80 Ų80146.5 Ų146.583%0.82582%0.816SS**  trans-76.1145.7173.600000115.1
377L53.3Low45.7Very low157 Ų157150.8 Ų150.882%0.82282%0.822SS**  trans-136.8150161.4-74.4178.3000109.1L379L377-L379 PolarHBondContact O-N 2.84Å; L377-L379 VanDerWaalsContact O-N 3.17Å
378P49.1Very low45.4Very low127 Ų127149.1 Ų149.183%0.82582%0.817SS**  trans-73.8109-171.528.4-34.6000112.4
379L49.1Very low45.1Very low170 Ų170155.1 Ų155.189%0.8983%0.827SS**PPolyproline II helixtrans-71.5130.6172.3-115.676.2000111.5L377 Q381L377-L379 PolarHBondContact O-N 2.84Å; L377-L379 VanDerWaalsContact O-N 3.17Å; L379-Q381 PolarHBondContact O-N 2.87Å
380R44.2Very low44.9Very low239 Ų239160.6 Ų160.690%0.90283%0.834SS**PPolyproline II helixtrans-72.4118-178.9177.4178.7-179.4157-1.3111.2
381Q50.9Low45.4Very low166 Ų166165 Ų16578%0.77684%0.839SS**PPolyproline II helixtrans-63144174.4-72-175.4-10.800112.4L379L379-Q381 PolarHBondContact O-N 2.87Å
382P45.8Very low45.3Very low105 Ų105164.2 Ų164.268%0.68284%0.839SS**PPolyproline II helixtrans-72.8154.3168.731.8-34.7000111.4M384P382-M384 PolarHBondContact O-N 3.48Å
383P51.2Low45.1Very low132 Ų132170 Ų17086%0.85784%0.841SS**PPolyproline II helixtrans-73.9117.9-174.829.2-34.4000112.4
384M47.5Very low44.4Very low174 Ų174168.7 Ų168.786%0.85784%0.84SS**PPolyproline II helixtrans-74.4143.9169.5-64.8-164.7-68.300111.4P382P382-M384 PolarHBondContact O-N 3.48Å
385S46.5Very low44Very low120 Ų120165.7 Ų165.784%0.83983%0.832SS**PPolyproline II helixtrans-79.6132.2-176.150.90000112.9R387S385-R387 PolarHBondContact O-N 3.11Å
386E51.6Low44.1Very low190 Ų190169.8 Ų169.889%0.88884%0.838SS**  trans-82.895.8-175.3-172.5173.6-148.900112
387R44.3Very low43.4Very low227 Ų227173.4 Ų173.486%0.85784%0.838SS**  trans-149113.7163.7-134.5173.2-177.189.1-3.8113.3S385S385-R387 PolarHBondContact O-N 3.11Å
388T40.6Very low42.5Very low119 Ų119174.7 Ų174.773%0.7384%0.84SS**  trans74.364166.6-31.70000117R390T388-R390 PolarHBondContact O-N 3.01Å
389R38.8Very low41.7Very low245 Ų245172 Ų17293%0.92584%0.835SS**  trans-64.4129.4157.3-71.9-177.7173.8-171.4-2.7110.3
390R45Very low41.1Very low241 Ų241172.2 Ų172.291%0.90983%0.831SS**  trans-116.2159.6154.6-79.1-173.9170.3178.7-2.2108.8T388T388-R390 PolarHBondContact O-N 3.01Å
391R46.8Very low40.4Very low247 Ų247168.2 Ų168.293%0.93283%0.828SS**PPolyproline II helixtrans-78.8152.7-156.9-82.9175.3-86-170.9-5.7114
392V37.6Very low39.6Very low141 Ų141166.8 Ų166.886%0.85583%0.825SS**PPolyproline II helixtrans-63.8152.7167.8-177.60000110
393Y34.6Very low39.2Very low193 Ų193170.4 Ų170.476%0.75783%0.832SS**PPolyproline II helixtrans-65.5151172.2-99.7-97.8000112.3
394N31.4Very low38.4Very low160 Ų160170.4 Ų170.486%0.85684%0.835SS**  trans-132144.7147.1-89.98.2000107.2
395F32.4Very low37.7Very low177 Ų177164.8 Ų164.878%0.77682%0.822SS**  trans-113.2-171.9165.5-129.8-100.9000108.7
396D37.8Very low37Very low156 Ų156169.4 Ų169.483%0.83482%0.821SS**  trans74.6142.1-174.3-47.5-32.1000114
397D33.2Very low36.3Very low155 Ų155167.7 Ų167.783%0.82981%0.813SS**  cis-141.7160.419.6-177.16.2000111.1
398Q34.7Very low35.9Very low185 Ų185160.9 Ų160.986%0.86480%0.8SS**  trans-138.479.1177.5179.2143.493.400112.7
399G32.8Very low35.9Very low69 Ų69163.9 Ų163.971%0.71181%0.805SS**  trans-103.3114.6177.700000115.4
400H35.3Very low35.9Very low175 Ų175160 Ų16081%0.8180%0.798SS**  trans-40.2141.2176.5-50.8-99.9000118.1
401N30.3Very low35.7Very low156 Ų156157.9 Ų157.983%0.83480%0.797SS**  -168.9-178.3117.2-112.8-71.3000116.8
402L34.4Very low35.4Very low136 Ų136156.8 Ų156.871%0.71279%0.793SS**  trans-101.3149.9-155.5-72.1156.1000117.4
403Q36.3Very low35.3Very low181 Ų181160.8 Ų160.885%0.84679%0.793SS**  trans51.288.1140.2-631776.700121.5
404S35.4Very low35.7Very low131 Ų131163.7 Ų163.792%0.91680%0.803SS**  trans-171.5156.2141.1-158.50000108.3
405G31.9Very low36.5Very low57 Ų57168.3 Ų168.359%0.58881%0.808SS**  cis163.793.2-5.300000112.4
406R32.9Very low36.7Very low217 Ų217164.6 Ų164.682%0.81980%0.804SS**  trans78.6160.3166.7-48.4165.3159.2-118.40.3119
407H36.4Very low37.2Very low154 Ų154168.3 Ų168.371%0.71381%0.806SS**  trans57.7101.2163.7-51.5-58.2000117.7
408S35.2Very low37.5Very low84 Ų84170.2 Ų170.259%0.58781%0.807SS**  76111.368.3173.90000115.1
409H40.1Very low37.6Very low181 Ų181167.1 Ų167.184%0.83881%0.806SS**  trans-157.7161.8136.9-92.8-56.3000111.5
410H39.3Very low38Very low165 Ų165174.5 Ų174.576%0.76481%0.812SS**  trans-105.3130.6-168.2-52.8-71.7000113.8
411H40.8Very low38.8Very low195 Ų195172 Ų17290%0.90382%0.815SS**  trans-125.591.4160.9-70.2-58.8000112.1
412R40.4Very low39.7Very low225 Ų225171.6 Ų171.685%0.84981%0.812SS**  trans-94.9134.9171.4-110.7-178.3175.4-177.30.2110.1
413R36.6Very low40.2Very low225 Ų225172.5 Ų172.585%0.84982%0.818SS**  trans68.2126165.9-51169.8-179.2-97.43.4117
414R42.5Very low40.3Very low253 Ų253168.3 Ų168.396%0.95581%0.814SS**  -138.4121.999.1-70-158.7177.4-128.6-2.7110.6
415R47.3Very low40.8Very low257 Ų257169.2 Ų169.297%0.9781%0.808SS**  trans-104.4134.2157.8-93.9-176.6169.4177.3-5.4106.5
416S36.3Very low41.3Very low99 Ų99173.5 Ų173.569%0.69282%0.818SS**  trans-149.6133.5-175.3172.80000107.6
417R49.9Very low41.9Very low234 Ų234171.5 Ų171.588%0.88382%0.822SS**  cis-132160.5-10.8-97.3152.3177.1168.9-2.6107.1
418K38.7Very low42Very low196 Ų196172.2 Ų172.285%0.85283%0.83SS**  trans-96135.8168.3-95.5130.1171-168.20109.5
419S36.3Very low42.4Very low120 Ų120174.2 Ų174.284%0.83984%0.842SS**  trans-67.5150.9151.2-172.40000108.9
420R42.6Very low42.4Very low223 Ų223175.3 Ų175.384%0.84284%0.844SS**  trans-134110.9170.5-84-170.9166.5-162.8-5.2108.6
421S51Low42.4Very low123 Ų123176.4 Ų176.486%0.8685%0.849SS**  trans-82.3154.3140.245.30000108.1
422D49.3Very low42.1Very low147 Ų147178.9 Ų178.979%0.78685%0.851SS**  trans-118.5112.3-166.2-157.15.1000110.9
423N44.2Very low41.8Very low156 Ų156172.6 Ų172.683%0.83485%0.847SS**  trans-162.2105.5168.6-162.3-9000110.4
424A40Very low42.2Very low92 Ų92167.9 Ų167.976%0.7685%0.845SS**  trans-159.485.7175.200000111.6
425L45.8Very low41.7Very low150 Ų150162.8 Ų162.879%0.78584%0.842SS**  trans-104.8138.7162.8-73.9178.6000110.5
426N42.3Very low40.9Very low148 Ų148156.4 Ų156.479%0.79184%0.835SS**  trans62.1107.8168.6-53.6-39.9000117.3
427L45Very low40.8Very low174 Ų174162.2 Ų162.291%0.91184%0.843SS**  -163.8143.7111.7-99.2177.2000110.2
428L37.8Very low40Very low169 Ų169160.1 Ų160.189%0.88584%0.841SS**PPolyproline II helixtrans-87.9130.5-175.9-75.2163.3000111.8K430L428-K430 PolarHBondContact O-N 3.17Å
429P43.8Very low39.6Very low127 Ų127159.2 Ų159.283%0.82584%0.842SS**PPolyproline II helixtrans-77.5117.7169.8-9.626.4000110.8
430K40.9Very low39.5Very low204 Ų204161.3 Ų161.389%0.88784%0.838SS**PPolyproline II helixtrans-88.3157.2169.7-165168.9-179.7178.60111.1L428L428-K430 PolarHBondContact O-N 3.17Å
431E38.1Very low39.3Very low187 Ų187159.8 Ų159.887%0.87484%0.84SS**PPolyproline II helixtrans-69.3168.7-165.3-67.6-179.994.900116.8
432R35.4Very low38.5Very low248 Ų248165.9 Ų165.994%0.93684%0.844SS**PPolyproline II helixtrans-71.3149-177.8-60.8173.8171.1109.3-4.7112.5
433A33.4Very low37.4Very low93 Ų93162.1 Ų162.177%0.76984%0.84SS**  trans-108.8136.7158.100000110.2
434P44.6Very low36.8Very low125 Ų125160.2 Ų160.281%0.81284%0.839SS**  trans-86155174.234.3-33.7000112.5
435V33.7Very low36.6Very low147 Ų147161.4 Ų161.489%0.89184%0.842SS**  trans-79138.4174.31790000110.2
436C30.5Very low36.2Very low122 Ų122162.6 Ų162.682%0.82485%0.848SS**  trans-115.5145.3174.5-165.60000111.4
437Y33.8Very low35.6Very low221 Ų221158.3 Ų158.387%0.86784%0.839SS**  trans-78.8154.7-179.9-104.9-107.2000112.5
438K32.9Very low35.7Very low191 Ų191155.7 Ų155.783%0.8383%0.832SS**  trans-76.9133.4168.7-72.7-172.4177.7-176.80110.9
439M31.1Very low35.6Very low177 Ų177157.3 Ų157.387%0.87283%0.832SS**  trans-147130159.5-161.669.6141.100108.1
440H34Very low35Very low163 Ų163154.4 Ų154.476%0.75583%0.826SS**  trans-93.5146.5174.2-77.3-97.3000110.2
441H37.1Very low34.8Very low192 Ų192152.8 Ų152.889%0.88982%0.821SS**  trans-161.6179142.3-90.5-47000111.4
442R33.9Very low34.5Very low250 Ų250152.7 Ų152.794%0.94382%0.82SS**  trans-108.7163.2-160.7-67.8172.8165.6-117.75.6114.6
443G27.8Very low34.3Very low68 Ų68146.1 Ų146.170%0.70181%0.808SS**  trans123.8121.6156.800000112.4
444S31.4Very low34.4Very low117 Ų117151.9 Ų151.982%0.81882%0.816SS**  cis95.7140.736.7-65.90000114.1
445S35.3Very low33.8Very low116 Ų116154.7 Ų154.781%0.81182%0.818SS**  trans75.6150-17182.40000114.9
446L37.5Very low33.6Very low175 Ų175151.4 Ų151.492%0.91681%0.813SS**  cis-154-175.7-14.2-121.5173.3000111.3
447G30.1Very low33.6Very low58 Ų58154.2 Ų154.260%0.59881%0.814SS**  trans-105.5-151.9169.500000112.7
448P46.3Very low33.3Very low120 Ų120152 Ų15278%0.77982%0.816SS**  cis-147.9164.223.842.9-22.9000120.3
449K36.1Very low33.4Very low202 Ų202150 Ų15088%0.87882%0.815SS**  trans41.8131.4140.5-66.2-177.6176.4-179.10124.8
450G31.1Very low33.7Very low67 Ų67147.3 Ų147.369%0.69181%0.81SS**  trans-168.9105.1139.800000110.4
451H35.8Very low33.5Very low170 Ų170143.8 Ų143.879%0.78781%0.809SS**  53.298.7105.7-68.522000113.2
452Q33.1Very low33.5Very low184 Ų184139.7 Ų139.786%0.8681%0.809SS**  54.8132.884.9-65.3-165.211.200113
453V31.1Very low33.4Very low110 Ų110135.9 Ų135.967%0.66780%0.804SS**  cis-147.4145.335.9167.30000111.8
454F34.7Very low33.6Very low214 Ų214136.6 Ų136.694%0.93980%0.798SS**  trans-169140.2132-100.4-66.3000109.6
455H33.3Very low33.7Very low185 Ų185137.5 Ų137.586%0.85679%0.793SS**  trans-96.8135.4-170.3-109.2-87000112.8
456G28.2Very low33.8Very low77 Ų77142.9 Ų142.979%0.79480%0.798SS**  trans179.169.7176.200000113.3
457H32Very low33.4Very low181 Ų181145.7 Ų145.784%0.83880%0.796SS**  trans-100.5124.9174.8-89.7-76.5000111.6
458L27.6Very low33.6Very low176 Ų176149.5 Ų149.592%0.92181%0.807SS**  trans-157161.9135.1-109.1168.9000109.6
459N34.5Very low33.1Very low149 Ų149152.5 Ų152.580%0.79781%0.811SS**PPolyproline II helixtrans-93.4169.6-166.2-115.5-7.5000112.8
460P36.4Very low32.7Very low120 Ų120146 Ų14678%0.77980%0.802SS**PPolyproline II helixtrans-73.3137.8-158.128.6-36.3000114
461A29.7Very low33.4Very low89 Ų89149 Ų14974%0.73681%0.809SS**PPolyproline II helixtrans-98.3131.8164.500000110
462A38.6Very low33.1Very low106 Ų106146.4 Ų146.488%0.87680%0.801SS**PPolyproline II helixtrans-75.6130.6156.200000108.5
463M30.3Very low33.2Very low170 Ų170148.4 Ų148.484%0.83780%0.8SS**  trans-105154.3168.3-67.5-114.4-60.500107.3
464S33Very low33.4Very low83 Ų83146.7 Ų146.758%0.5881%0.805SS**  cis-176.6166-11.7-107.70000104.8
465D33.6Very low33.6Very low135 Ų135148.2 Ų148.272%0.72281%0.805SS**  cis-141.9165.9-4.1-91.6-34.9000105.1
466Y37.2Very low33.5Very low229 Ų229149 Ų14990%0.89881%0.806SS**  -157.9169.259.851.5-94.8000113
467R29.3Very low34.4Very low234 Ų234152.6 Ų152.688%0.88381%0.806SS**  trans-137.8117.5-158.4171.8-165.1178.7-171.61.7112.5
468V34.7Very low34.5Very low138 Ų138147.3 Ų147.384%0.83680%0.801SS**  trans-137.3152.6156.6-174.30000109.8
469Q35.4Very low35.2Very low183 Ų183145.6 Ų145.686%0.85579%0.792SS**  trans-65.8153.6-165.1-59.8147.4-1.300115.5
470G26.4Very low35.3Very low66 Ų66149.1 Ų149.168%0.6880%0.795SS**  trans-89.3-15515300000111
471P45.8Very low35.3Very low129 Ų129147 Ų14784%0.83880%0.796SS**  cis-102.9-153.73.234.1-16.1000110.5
472D29.3Very low35.8Very low116 Ų116149.9 Ų149.962%0.6280%0.798SS**  cis-158177.917.7-168.714000109.8
473R35.2Very low35.9Very low226 Ų226151.9 Ų151.985%0.85380%0.795SS**  trans27.9136.5162.1-68158.1-154.3-126.2-2.2119.8
474G35.8Very low36.7Very low75 Ų75151.6 Ų151.677%0.77380%0.796SS**  cis164.8-173.214.200000111.1
475R38.7Very low37.3Very low246 Ų246154.9 Ų154.993%0.92881%0.807SS**  trans-77.2143.2-175.4-61.2173.4172.8-143.2-0.9113.1
476F32.9Very low37.8Very low202 Ų202159.7 Ų159.789%0.88682%0.816SS**  trans-150.8162.8139.6-144-102.1000112.5
477L45.8Very low38.4Very low152 Ų152154.4 Ų154.480%0.79681%0.811SS**  trans-131.9141.3178.1-117.284.5000110.2
478G34.3Very low38.9Very low70 Ų70147.6 Ų147.672%0.72280%0.799SS**  trans174.1130.9168.500000108.3
479L41.7Very low39.1Very low139 Ų139146.7 Ų146.773%0.72879%0.794SS**  cis83.511222.3-60.3175.5000116.4
480Y37.5Very low39.2Very low223 Ų223143 Ų14388%0.87579%0.787SS**  trans75.1154.2165.7-57.8-72.9000119.1
481G36.9Very low39.7Very low76 Ų76144.9 Ų144.978%0.78479%0.79SS**  trans9996.4-167.900000111.8
482D38.8Very low39.5Very low149 Ų149143.9 Ų143.980%0.79779%0.786SS**  cis104.9155.218.8-147.96.4000113.7
483D41.1Very low39.8Very low149 Ų149144 Ų14480%0.79780%0.796SS**  trans71.2138.5177.5-60.8-57.9000120.6
484D48Very low40.1Very low163 Ų163138.9 Ų138.987%0.87280%0.795SS**  trans-98.1-152.8175.5-89.9-66.3000111.1
485D45.4Very low40.2Very low152 Ų152141.3 Ų141.381%0.81380%0.8SS**  trans74.394.9166.8-69.8-23.4000120
486W44.6Very low40.6Very low237 Ų237137.2 Ų137.290%0.89880%0.797SS**  -151.3126.1112.4-157.2-84.2000113.3
487C49.3Very low41.3Very low117 Ų117133.1 Ų133.179%0.79179%0.793SS**  trans-122.2123.8174178.40000111.2
488S38.7Very low41.4Very low91 Ų91133.9 Ų133.964%0.63679%0.792SS**  trans178.5135.9163.6-78.50000106.7
489T39Very low42.4Very low120 Ų120137.5 Ų137.574%0.73679%0.791SS**  cis-130137.426.348.80000110.7
490C37.7Very low43.1Very low104 Ų104140.8 Ų140.870%0.70380%0.802SS**  64.1138.253.4100.90000112.6
491S36.6Very low44.2Very low107 Ų107132 Ų13275%0.74878%0.779SS**  cis-155.4168.7-3.3-73.90000107.6
492S41.8Very low45.4Very low108 Ų108133.5 Ų133.576%0.75576%0.764SS**  cis-145.7-154.92.6-127.80000108
493S35.6Very low46.2Very low117 Ų117133.6 Ų133.682%0.81876%0.758SS**  cis-151.4-179.720.8-58.40000111.5
494S41.8Very low47.2Very low119 Ų119134.1 Ų134.183%0.83276%0.76SS**  trans-87.8152.1-167.8-38.10000117
495S38.1Very low48.2Very low127 Ų127129.6 Ų129.689%0.88875%0.751SS**  trans-142.3157.1144.3-1040000109.5
496D48Very low49.1Very low160 Ų160129.3 Ų129.386%0.85675%0.745SS**  trans-95.7135.6-173.6-169.259.4000111.4
497S46.8Very low50Low115 Ų115122.2 Ų122.280%0.80473%0.73SS**  trans-164.9130.8172.7620000111.5
498E47.7Very low50.6Low168 Ų168121.8 Ų121.879%0.78572%0.718SS**  trans-106.5147.3-166.261.6-161.7142.400115.7E500E498-E500 PolarHBondContact O-N 2.95Å
499E54.4Low51.6Low147 Ų147123.2 Ų123.269%0.68773%0.725SS**  trans41.242.616177.5154-143.900123.6G501E499-G501 VanDerWaalsContact C-N 3.26Å; E499-G501 PolarHBondContact O-N 3.05Å
500E57.6Low52.7Low208 Ų208126.3 Ų126.397%0.97273%0.731SS**THydrogen-bonded Turntrans-66.976.6163.8-68.1-165.413300113.3E498E498-E500 PolarHBondContact O-N 2.95Å
501G60.4Low53.2Low37 Ų37126.1 Ų126.138%0.38174%0.737SS.*THydrogen-bonded Turntrans-173.5-1117800000118.3E499 I508E499-G501 VanDerWaalsContact C-N 3.26Å; E499-G501 PolarHBondContact O-N 3.05Å; G501-I508 PolarHBondContact O-N 3.06Å
502F61.3Low54Low108 Ų108132.1 Ų132.147%0.47474%0.744SS.*EExtended strand (participates in β ladder)trans-116.9139.1-174.2-65.5-93.2000112.4Q506 P507F502-Q506 WeakPolarHBondContact CA-O 3.22Å; F502-P507 HydrophobicContact CD1-CB 4.23Å; F502-P507 HydrophobicContact CE1-CB 3.87Å; F502-P507 HydrophobicContact CE1-CG 4.34Å
503F56.8Low54.2Low152 Ų152132.8 Ų132.867%0.66775%0.745SS**EExtended strand (participates in β ladder)trans-118.3118.1167.2-163.8-98.6000108G505 Q506 I508F503-G505 VanDerWaalsContact C-N 3.26Å; F503-G505 PolarHBondContact O-N 3.48Å; F503-Q506 PolarHBondContact N-O 3.24Å; F503-Q506 PolarHBondContact O-N 3.47Å; F503-I508 HydrophobicContact CB-CD1 4.47Å; F503-I508 HydrophobicContact CB-CG1 4.18Å
504L62.1Low54.2Low160 Ų160134.3 Ų134.384%0.83874%0.739SS**THydrogen-bonded Turntrans5438.3-175.1-53.3175.5000113.6Q506L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 3.21Å
505G67.6Low54.1Low67 Ų67139.7 Ų139.769%0.69174%0.741SS**THydrogen-bonded Turntrans73.511.2178.500000115.3F503F503-G505 VanDerWaalsContact C-N 3.26Å; F503-G505 PolarHBondContact O-N 3.48Å
506Q65.3Low54Low147 Ų147141.2 Ų141.269%0.68773%0.734SS**EExtended strand (participates in β ladder)trans-114.9139.3170.7-64.9-169.6-9.200110.8F502 F503 L504F502-Q506 WeakPolarHBondContact CA-O 3.22Å; F503-Q506 PolarHBondContact N-O 3.24Å; F503-Q506 PolarHBondContact O-N 3.47Å; L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 3.21Å
507P63Low53.2Low88 Ų88144.6 Ų144.657%0.57174%0.736SS**EExtended strand (participates in β ladder)trans-69134179.528.7-33.9000109.8F502 P509F502-P507 HydrophobicContact CD1-CB 4.23Å; F502-P507 HydrophobicContact CE1-CB 3.87Å; F502-P507 HydrophobicContact CE1-CG 4.34Å; P507-P509 VanDerWaalsContact O-CD 3.32Å; P507-P509 WeakPolarHBondContact O-CD 3.12Å
508I62.6Low52.6Low108 Ų108149 Ų14955%0.55474%0.737SS**PPolyproline II helixtrans-63.8121.1-175.8-61.4173.4000109.7G501 F503 Q510G501-I508 PolarHBondContact O-N 3.06Å; F503-I508 HydrophobicContact CB-CD1 4.47Å; F503-I508 HydrophobicContact CB-CG1 4.18Å; I508-Q510 PolarHBondContact O-N 3.28Å; I508-Q510 VanDerWaalsContact O-N 3.14Å
509P59.8Low52.3Low120 Ų120146.7 Ų146.778%0.77973%0.734SS**PPolyproline II helixtrans-64.1116.7-177.4-2435000112.1P507 A511P507-P509 VanDerWaalsContact O-CD 3.32Å; P507-P509 WeakPolarHBondContact O-CD 3.12Å; P509-A511 PolarHBondContact O-N 3.24Å
510Q62.5Low51.5Low185 Ų185147.1 Ų147.186%0.86474%0.742SS**PPolyproline II helixtrans-60.8136.4179.5-68.2-175.3-7.800111.8I508 R512I508-Q510 PolarHBondContact O-N 3.28Å; I508-Q510 VanDerWaalsContact O-N 3.14Å; Q510-R512 PolarHBondContact O-N 3.04Å
511A47.7Very low50.7Low101 Ų101145 Ų14584%0.83574%0.736SS**PPolyproline II helixtrans-63.4122.8178.300000110.8P509P509-A511 PolarHBondContact O-N 3.24Å
512R52.3Low49.7Very low233 Ų233151.3 Ų151.388%0.87976%0.761SS**PPolyproline II helixtrans-64.9138.1179.9-68.8-178176.4-178.8-1.4110.8Q510 H514Q510-R512 PolarHBondContact O-N 3.04Å; R512-H514 PolarHBondContact O-N 2.99Å
513P46.3Very low48.5Very low122 Ų122151.2 Ų151.279%0.79278%0.78SS**PPolyproline II helixtrans-62.8128.4176.825.4-33.7000111R515P513-R515 PolarHBondContact O-N 3.48Å
514H37.3Very low47.3Very low148 Ų148149.9 Ų149.969%0.68579%0.79SS**  trans-7294.4-177.1-178.3-79.3000110.9R512 H516R512-H514 PolarHBondContact O-N 2.99Å; H514-H516 AromaticContact ND1-CE1 3.99Å; H514-H516 PolarHBondContact O-CD2 2.81Å; H514-H516 PolarHBondContact O-N 3.34Å
515R38.4Very low46.4Very low233 Ų233147.5 Ų147.588%0.87978%0.784SS**  trans-64.1107.2173.1-97.6-169171-167.4-2.3110.4P513 Y517P513-R515 PolarHBondContact O-N 3.48Å; R515-Y517 PolarHBondContact O-N 3.39Å
516H36.4Very low44.8Very low159 Ų159151.1 Ų151.174%0.73679%0.792SS**  trans-61.5118.1166.4-64-90.3000109.6H514 Y518H514-H516 AromaticContact ND1-CE1 3.99Å; H514-H516 PolarHBondContact O-CD2 2.81Å; H514-H516 PolarHBondContact O-N 3.34Å; H516-Y518 PolarHBondContact O-N 3.47Å
517Y31Very low43.2Very low230 Ų230149 Ų14990%0.90280%0.799SS**  trans-79.1108.8166.8-114.4-88.3000108.2R515R515-Y517 PolarHBondContact O-N 3.39Å
518Y34.8Very low41.6Very low208 Ų208147.8 Ų147.882%0.81680%0.803SS**  trans-86.1145.5160.8-117.7-90.4000109.1H516H516-Y518 PolarHBondContact O-N 3.47Å
519T41.7Very low40.2Very low119 Ų119152.9 Ų152.973%0.7382%0.821SS**  trans-83.9130177.348.40000110.9
520D36.3Very low38.9Very low157 Ų157152.9 Ų152.984%0.8482%0.824SS**  trans-138.3109.6160.7-104.3-44.3000109.4
521D40.8Very low37.5Very low162 Ų162148.5 Ų148.587%0.86682%0.82SS**  trans-88.1102.8174-92.3-49.5000109.8
522L39.4Very low37.6Very low170 Ų170149.6 Ų149.689%0.8982%0.818SS**  trans-136.5115166.8-74.1179.1000111.4
523A36.5Very low37.6Very low107 Ų107143.6 Ų143.688%0.88481%0.81SS**  trans-101135.7178.600000112
524S31.5Very low36.9Very low124 Ų124147.5 Ų147.587%0.86781%0.81SS**  trans-156.4152166.1-157.80000110.9
525P43.7Very low36.6Very low109 Ų109145.7 Ų145.771%0.70881%0.806SS**  trans-124157.8-152.241.1-28.5000118.3
526V33Very low36.6Very low143 Ų143142.4 Ų142.487%0.86780%0.8SS**  trans78.3141.9145163.80000121.2
527A31.6Very low36.3Very low102 Ų102143.9 Ų143.984%0.84380%0.799SS**  trans98.3130.5165.500000117.4
528G31.1Very low36.6Very low63 Ų63139.8 Ų139.865%0.64980%0.798SS**  cis160.9153.1-12.200000114.2
529K33.2Very low36.9Very low215 Ų215137.3 Ų137.394%0.93579%0.792SS**  trans76.3145.5-177.6-49.5162.7-174.1173.90113.1
530S30.9Very low36.7Very low120 Ų120137.2 Ų137.284%0.83980%0.796SS**  cis-155.9156.4-0.2430000111.9
531A34.2Very low37.1Very low94 Ų94139.4 Ų139.478%0.77780%0.798SS**  trans-119.2161.5164.400000109.4
532P48.8Very low37.2Very low123 Ų123141.5 Ų141.580%0.79980%0.8SS**  -154.5-157.285.140-18000113.3
533P53.6Low37.8Very low108 Ų108143.7 Ų143.770%0.70180%0.802SS**  -127.9170.6-52.831.1-13.5000115
534Y31.1Very low37.9Very low204 Ų204148 Ų14880%0.880%0.801SS**  trans67.7152.9160.9-99.2-138.3000117
535D31.6Very low38.2Very low110 Ų110145.5 Ų145.559%0.58880%0.795SS**  cis-141149.221.5-150.7-17.6000115.9
536Q37.8Very low38.3Very low163 Ų163151.9 Ų151.976%0.76281%0.805SS**  trans44158.6156.7-87.8163.492.700125.5
537W30.2Very low39Very low190 Ų190154.4 Ų154.472%0.7280%0.804SS**  trans-132.1144.8-172141-45.2000109.4K539W537-K539 HydrophobicContact CD2-CD 4.44Å; W537-K539 HydrophobicContact CD2-CG 4.38Å; W537-K539 HydrophobicContact CH2-CD 4.18Å; W537-K539 VanDerWaalsContact CH2-CE 3.48Å; W537-K539 HydrophobicContact CZ2-CD 3.6Å; W537-K539 VanDerWaalsContact CZ2-CE 3.41Å; W537-K539 HydrophobicContact CZ2-CG 4.32Å
538T37.5Very low39.9Very low144 Ų144153 Ų15388%0.88380%0.799SS**  trans-140.1149.1152.956.40000110.3
539K39.8Very low41.3Very low156 Ų156158.5 Ų158.568%0.67881%0.805SS**  trans-133.3136.9-179.8-75-175.4176.8174.60111.1W537W537-K539 HydrophobicContact CD2-CD 4.44Å; W537-K539 HydrophobicContact CD2-CG 4.38Å; W537-K539 HydrophobicContact CH2-CD 4.18Å; W537-K539 VanDerWaalsContact CH2-CE 3.48Å; W537-K539 HydrophobicContact CZ2-CD 3.6Å; W537-K539 VanDerWaalsContact CZ2-CE 3.41Å; W537-K539 HydrophobicContact CZ2-CG 4.32Å
540S37.8Very low42Very low118 Ų118155.2 Ų155.283%0.82580%0.798SS**  trans-144.295.3169.147.70000114.4
541K44.5Very low43.2Very low202 Ų202155.9 Ų155.988%0.87880%0.801SS**  trans47.388.7139.1-60.2-175.1179.7178.10120
542K42.6Very low44Very low207 Ų207159.3 Ų159.390%0.980%0.804SS**  trans-15.8124131.2-178.4-177.2-170.1173.80114.7
543K52.2Low44Very low215 Ų215161.1 Ų161.194%0.93581%0.806SS**  trans-136.6148161.2-157.7172.8-179.8-1790110.3
544K39.9Very low43.6Very low198 Ų198164.5 Ų164.586%0.86183%0.832SS**  trans-126.4112.3-164176.2-178173.5178.80113.4
545G36.7Very low44.3Very low72 Ų72162.6 Ų162.674%0.74283%0.834SS**  trans94.5168.5136.900000120.9
546R46.5Very low44.9Very low242 Ų242165.3 Ų165.391%0.91385%0.847SS**  trans88.288.4166.2-60.4-173.2179.3-1080.9120.1
547K48.2Very low45.3Very low197 Ų197165.4 Ų165.486%0.85785%0.851SS**  60.795.3106.8-165.7179.9-173.8176.70119.5
548G50.4Low46.2Very low71 Ų71164 Ų16473%0.73286%0.859SS**  trans-138.9134.8139.300000106.9
549K59.2Low46.7Very low180 Ų180165.3 Ų165.378%0.78386%0.857SS**  71106.352.2-76.8-154.8172.9-166.10114.3
550N47.9Very low47.2Very low146 Ų146165.9 Ų165.978%0.78187%0.869SS**  trans63.5103.8146.3-54.429.4000118.5
551C55.8Low47.9Very low134 Ų134169.3 Ų169.391%0.90587%0.873SS**  trans-131.6125.3142.7-73.50000108.6
552I52.4Low48.1Very low165 Ų165166.8 Ų166.885%0.84687%0.872SS**  trans-115133.8159.7-63.2170.4000104.9
553I48.4Very low48.6Very low162 Ų162163.4 Ų163.483%0.83187%0.87SS**  trans178.3132.1167.1-93.8143.6000104.8
554S45.7Very low48.3Very low179 Ų179158.7 Ų158.7100%1.25286%0.864SS**  cis-152.50-13.2-98.60000109.2

Retrieved 554 of 554 residues in 173.9 ms (Link to these results)