A0A096N5Y0_PAPAN Loading...

Ankyrin repeat domain 34C

AlphaFold DB , UniProt , Accession A0A096N5Y0, Species PAPAN (Papio anubis, Olive baboon), Gene ANKRD34C, Length 535 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
1M34.3Very low51.1Low240 Ų240115.5 Ų115.5100%1.18258%0.581SS**  0121.50-172.4164.4175.200105.6D3M1-D3 PolarHBondContact O-N 3.44Å
2M32.7Very low52.8Low182 Ų182110.8 Ų110.890%0.89758%0.583SS**  trans-73.2116.7-178.7-72165.7175.400108.2D4M2-D4 PolarHBondContact O-N 3.1Å
3D38.5Very low55.5Low118 Ų118105.3 Ų105.363%0.63156%0.555SS**  trans-69.990.8156.7-90.5-68.2000106.6M1 D5 K55M1-D3 PolarHBondContact O-N 3.44Å; D3-D5 PolarHBondContact O-N 3.36Å; D3-K55 IonicContact OD1-NZ 2.69Å; D3-K55 PolarHBondContact OD1-NZ 3.16Å; D3-K55 IonicContact OD2-NZ 2.82Å
4D40.8Very low58.1Low131 Ų131103.4 Ų103.470%0.70155%0.554SS**  trans-55.2107.3159.9-99.6-18.2000106.3M2 T6M2-D4 PolarHBondContact O-N 3.1Å; D4-T6 VanDerWaalsContact C-N 3.27Å; D4-T6 WeakPolarHBondContact O-CA 3.39Å; D4-T6 PolarHBondContact O-N 2.91Å; D4-T6 PolarHBondContact O-OG1 3.13Å
5D47.3Very low60.4Low159 Ų15996.5 Ų96.585%0.8552%0.517SS*.  trans-52.4100.3168.6-96.7-42.9000106.6D3 E7D3-D5 PolarHBondContact O-N 3.36Å; D5-E7 PolarHBondContact O-N 2.99Å
6T55.5Low62.3Low54 Ų5490.5 Ų90.533%0.33149%0.485SS..  trans-8670.3-163-16.40000106.7D4 L8 R95D4-T6 VanDerWaalsContact C-N 3.27Å; D4-T6 WeakPolarHBondContact O-CA 3.39Å; D4-T6 PolarHBondContact O-N 2.91Å; D4-T6 PolarHBondContact O-OG1 3.13Å; T6-L8 PolarHBondContact O-N 3.2Å; T6-R95 PolarHBondContact OG1-NH1 3.23Å; T6-R95 PolarHBondContact OG1-NH2 2.58Å
7E57.6Low63.9Low152 Ų15291.2 Ų91.271%0.7148%0.483SS*.  trans-61.693.8-179.6-164.3170.4-139.200107.1D5 R9 K43D5-E7 PolarHBondContact O-N 2.99Å; E7-R9 VanDerWaalsContact C-N 3.28Å; E7-R9 PolarHBondContact O-N 2.95Å; E7-K43 PolarHBondContact O-NZ 2.59Å
8L63.6Low65.4Low4 Ų486.2 Ų86.22%0.02146%0.457CS..  trans-69.497.3173.1-78167.2000104.7T6 T10 W20 E45 V50 I53T6-L8 PolarHBondContact O-N 3.2Å; L8-T10 HydrophobicContact CB-CG2 4.31Å; L8-T10 WeakPolarHBondContact O-CB 3.24Å; L8-T10 VanDerWaalsContact O-CG2 3.29Å; L8-T10 WeakPolarHBondContact O-CG2 3.31Å; L8-T10 PolarHBondContact O-N 3.35Å; L8-T10 PolarHBondContact O-OG1 3.49Å; L8-W20 VanDerWaalsContact CD1-CD1 3.41Å; L8-E45 VanDerWaalsContact CD2-CD 3.4Å; L8-E45 WeakPolarHBondContact CD2-OE1 3.45Å; L8-E45 WeakPolarHBondContact CD2-OE2 3.1Å; L8-V50 HydrophobicContact CD1-CG1 4.21Å; L8-V50 HydrophobicContact CD1-CG2 4.35Å; L8-I53 HydrophobicContact CD1-CB 4.26Å; L8-I53 HydrophobicContact CD1-CG2 3.78Å; L8-I53 HydrophobicContact CG-CG2 4.49Å
9R64.2Low66.8Low111 Ų11181.7 Ų81.742%0.41943%0.433SS..  trans-52.795.3170.9-72-167.861-115.6-20.5108.1E7 D11 N41 D42E7-R9 VanDerWaalsContact C-N 3.28Å; E7-R9 PolarHBondContact O-N 2.95Å; R9-D11 VanDerWaalsContact C-N 3.34Å; R9-D11 VanDerWaalsContact CA-OD1 3.32Å; R9-D11 WeakPolarHBondContact CA-OD1 3.3Å; R9-D11 IonicContact CZ-OD2 2.86Å; R9-D11 VanDerWaalsContact CZ-OD2 3.25Å; R9-D11 IonicContact NE-OD2 2.72Å; R9-D11 PolarHBondContact NE-OD2 2.93Å; R9-D11 IonicContact NH2-OD2 2.83Å; R9-D11 PolarHBondContact NH2-OD2 2.8Å; R9-N41 PolarHBondContact O-ND2 3.34Å; R9-D42 IonicContact CZ-OD2 3.06Å; R9-D42 VanDerWaalsContact CZ-OD2 3.28Å; R9-D42 IonicContact NH1-OD2 3.25Å; R9-D42 PolarHBondContact NH1-OD2 3.27Å; R9-D42 IonicContact NH2-OD2 2.7Å; R9-D42 PolarHBondContact NH2-OD2 3.08Å
10T65.5Low67.9Low11 Ų1180.5 Ų80.57%0.06742%0.422CS..  trans-110.627.3-176.440.90000108.5L8 G12 L16L8-T10 HydrophobicContact CB-CG2 4.31Å; L8-T10 WeakPolarHBondContact O-CB 3.24Å; L8-T10 VanDerWaalsContact O-CG2 3.29Å; L8-T10 WeakPolarHBondContact O-CG2 3.31Å; L8-T10 PolarHBondContact O-N 3.35Å; L8-T10 PolarHBondContact O-OG1 3.49Å; T10-G12 PolarHBondContact O-N 2.68Å; T10-L16 HydrophobicContact CG2-CB 3.99Å
11D61.7Low68.8Low108 Ų10878.5 Ų78.558%0.57841%0.412SS*.SBendtrans-77.137.4-163.9-36.5-20.8000112R9R9-D11 VanDerWaalsContact C-N 3.34Å; R9-D11 VanDerWaalsContact CA-OD1 3.32Å; R9-D11 WeakPolarHBondContact CA-OD1 3.3Å; R9-D11 IonicContact CZ-OD2 2.86Å; R9-D11 VanDerWaalsContact CZ-OD2 3.25Å; R9-D11 IonicContact NE-OD2 2.72Å; R9-D11 PolarHBondContact NE-OD2 2.93Å; R9-D11 IonicContact NH2-OD2 2.83Å; R9-D11 PolarHBondContact NH2-OD2 2.8Å
12G71.6Confident71.4Confident59 Ų5967.5 Ų67.561%0.60836%0.36SS*.SBendtrans178.1-47.1-177.700000112.3T10 S14T10-G12 PolarHBondContact O-N 2.68Å; G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.09Å
13N88.1Confident74.2Confident40 Ų4063.4 Ų63.421%0.21433%0.334CS..  trans-81.995.3-174.3-60.227.2000111.5L15 L16 K17 S40N13-L15 PolarHBondContact O-N 3.17Å; N13-L16 HydrophobicContact CB-CB 4.08Å; N13-L16 HydrophobicContact CB-CD1 4.08Å; N13-L16 HydrophobicContact CB-CD2 4.08Å; N13-L16 HydrophobicContact CB-CG 4.3Å; N13-L16 PolarHBondContact O-N 2.85Å; N13-K17 PolarHBondContact O-N 3.16Å; N13-K17 VanDerWaalsContact O-N 3.15Å; N13-S40 VanDerWaalsContact ND2-C 3.33Å; N13-S40 PolarHBondContact ND2-O 3.4Å
14S91.3Very high76.7Confident78 Ų7859.5 Ų59.555%0.54531%0.313SS..Hα-helixtrans-56-36.3179.6-66.60000113.1G12 K17 A18 L30G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.09Å; S14-K17 PolarHBondContact O-N 3.33Å; S14-A18 PolarHBondContact O-N 2.84Å; S14-L30 WeakPolarHBondContact O-CD1 3.4Å
15L92.6Very high79.1Confident1 Ų163.4 Ų63.41%0.00532%0.318CS..Hα-helixtrans-64.2-46.8178.3-179.164.1000111.9N13 K17 A18 V19 T27 L30 L31 A35 A47N13-L15 PolarHBondContact O-N 3.17Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 2.9Å; L15-A18 WeakPolarHBondContact O-CB 3.41Å; L15-A18 PolarHBondContact O-N 2.98Å; L15-A18 VanDerWaalsContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CG2 3.22Å; L15-V19 PolarHBondContact O-N 3.44Å; L15-T27 HydrophobicContact CD1-CG2 3.9Å; L15-L30 HydrophobicContact CB-CD1 4.4Å; L15-L30 HydrophobicContact CD1-CB 4.14Å; L15-L30 HydrophobicContact CD1-CD1 4.49Å; L15-L31 HydrophobicContact CD1-CD2 3.65Å; L15-L31 HydrophobicContact CD1-CG 4.09Å; L15-L31 HydrophobicContact CD2-CD2 3.69Å; L15-L31 HydrophobicContact CG-CD2 4.34Å; L15-A35 HydrophobicContact CB-CB 4.37Å; L15-A35 HydrophobicContact CD2-CB 4.44Å; L15-A47 HydrophobicContact CD2-CB 4.24Å; L15-A47 HydrophobicContact CG-CB 4.35Å
16L91.3Very high81.3Confident0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-64.7-36.7179.3-80.456.2000110.5T10 N13 V19 W20 E39 N41 E45 A47 V50T10-L16 HydrophobicContact CG2-CB 3.99Å; N13-L16 HydrophobicContact CB-CB 4.08Å; N13-L16 HydrophobicContact CB-CD1 4.08Å; N13-L16 HydrophobicContact CB-CD2 4.08Å; N13-L16 HydrophobicContact CB-CG 4.3Å; N13-L16 PolarHBondContact O-N 2.85Å; L16-V19 PolarHBondContact O-N 3.08Å; L16-W20 VanDerWaalsContact O-CB 3.25Å; L16-W20 WeakPolarHBondContact O-CB 3.39Å; L16-W20 PolarHBondContact O-N 3.3Å; L16-E39 HydrophobicContact CD1-CB 4.16Å; L16-N41 HydrophobicContact CD2-CB 3.82Å; L16-E45 WeakPolarHBondContact CD2-O 3.37Å; L16-A47 HydrophobicContact CD1-CB 4.08Å; L16-V50 HydrophobicContact CB-CG2 4.48Å; L16-V50 HydrophobicContact CD2-CG2 4.45Å; L16-V50 HydrophobicContact CG-CG2 4.24Å
17K89.8Confident83.1Confident102 Ų10256.9 Ų56.944%0.44328%0.281SS..Hα-helixtrans-67.5-34.7174.2-160.8158.1-171.6155.40113N13 S14 L15 L21N13-K17 PolarHBondContact O-N 3.16Å; N13-K17 VanDerWaalsContact O-N 3.15Å; S14-K17 PolarHBondContact O-N 3.33Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 2.9Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3.43Å
18A91.1Very high84.8Confident2 Ų255.5 Ų55.52%0.01727%0.269CS..Hα-helixtrans-63.9-44.7174.100000112.2S14 L15 G22 R23 L26 L30S14-A18 PolarHBondContact O-N 2.84Å; L15-A18 WeakPolarHBondContact O-CB 3.41Å; L15-A18 PolarHBondContact O-N 2.98Å; L15-A18 VanDerWaalsContact O-N 3.14Å; A18-G22 PolarHBondContact O-N 2.88Å; A18-R23 PolarHBondContact O-N 3.38Å; A18-L26 HydrophobicContact CB-CB 4.37Å; A18-L26 HydrophobicContact CB-CD2 3.48Å; A18-L26 VanDerWaalsContact CB-CD2 3.48Å; A18-L26 HydrophobicContact CB-CG 4.49Å; A18-L30 HydrophobicContact CB-CD1 3.84Å
19V91.6Very high86.3Confident1 Ų160.4 Ų60.41%0.00630%0.295CS..Hα-helixtrans-71.3-37.2178175.70000111.5L15 L16 L21 G22 T27 A47 V50 A51 M67 L71L15-V19 WeakPolarHBondContact O-CG2 3.22Å; L15-V19 PolarHBondContact O-N 3.44Å; L16-V19 PolarHBondContact O-N 3.08Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 2.89Å; V19-G22 WeakPolarHBondContact O-CA 3.45Å; V19-G22 PolarHBondContact O-N 3.11Å; V19-T27 HydrophobicContact CG2-CG2 3.69Å; V19-A47 WeakPolarHBondContact CG1-O 3.36Å; V19-A47 HydrophobicContact CG2-CB 4.38Å; V19-V50 HydrophobicContact CG1-CB 4.5Å; V19-V50 HydrophobicContact CG1-CG1 4.22Å; V19-A51 HydrophobicContact CG1-CB 3.67Å; V19-M67 HydrophobicContact CG1-CG 3.97Å; V19-M67 HydrophobicContact CG1-SD 4.39Å; V19-M67 HydrophobicContact CG2-SD 4.18Å; V19-L71 HydrophobicContact CG1-CD1 4.11Å; V19-L71 HydrophobicContact CG2-CD1 4.24Å; V19-L71 HydrophobicContact CG2-CD2 4.29Å
20W88.9Confident87.8Confident56 Ų5657.2 Ų57.221%0.21229%0.286CS..Hα-helixtrans-58.5-41.7175.6-172.672.4000112.4L8 L16 G22 V50 T54 H56L8-W20 VanDerWaalsContact CD1-CD1 3.41Å; L16-W20 VanDerWaalsContact O-CB 3.25Å; L16-W20 WeakPolarHBondContact O-CB 3.39Å; L16-W20 PolarHBondContact O-N 3.3Å; W20-G22 PolarHBondContact O-N 3.18Å; W20-V50 HydrophobicContact CB-CG1 3.87Å; W20-V50 HydrophobicContact CG-CG1 4.48Å; W20-T54 HydrophobicContact CB-CG2 4.39Å; W20-T54 HydrophobicContact CG-CG2 4.23Å; W20-T54 WeakPolarHBondContact O-CG2 3.48Å; W20-H56 AromaticContact CD2-NE2 3.91Å; W20-H56 AromaticContact CE2-CD2 3.85Å; W20-H56 AromaticContact CE2-NE2 3.28Å; W20-H56 VanDerWaalsContact CE2-NE2 3.28Å; W20-H56 AromaticContact CH2-CE1 3.78Å; W20-H56 AromaticContact CH2-NE2 3.58Å; W20-H56 AromaticContact CZ2-CE1 3.78Å; W20-H56 AromaticContact CZ2-NE2 3.13Å; W20-H56 WeakPolarHBondContact CZ2-NE2 3.31Å; W20-H56 AromaticContact NE1-NE2 3.73Å; W20-H56 PolarHBondContact O-CD2 3.16Å
21L87.3Confident89.1Confident40 Ų4057.7 Ų57.721%0.20929%0.288CS..THydrogen-bonded Turntrans-78.62.3174.3-62.7172.1000113.8K17 V19 R23K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3.43Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 2.89Å; L21-R23 HydrophobicContact CB-CG 3.83Å; L21-R23 WeakPolarHBondContact O-CG 3.36Å; L21-R23 PolarHBondContact O-N 3.07Å; L21-R23 VanDerWaalsContact O-N 3.16Å
22G88.4Confident90.6Very high9 Ų958.6 Ų58.69%0.09329%0.289CS..THydrogen-bonded Turntrans6514.7-178.200000115.2A18 V19 W20 L24 I62 M67A18-G22 PolarHBondContact O-N 2.88Å; V19-G22 WeakPolarHBondContact O-CA 3.45Å; V19-G22 PolarHBondContact O-N 3.11Å; W20-G22 PolarHBondContact O-N 3.18Å; G22-L24 PolarHBondContact O-N 2.68Å; G22-I62 PolarHBondContact O-N 3.19Å; G22-M67 WeakPolarHBondContact O-CE 3.42Å
23R90.7Very high91.7Very high95 Ų9559 Ų5936%0.35829%0.292SS..  trans-84.681.6-168.1-67.6-177.9-178.3-163.6-1.1112A18 L21 R25 L26 T27A18-R23 PolarHBondContact O-N 3.38Å; L21-R23 HydrophobicContact CB-CG 3.83Å; L21-R23 WeakPolarHBondContact O-CG 3.36Å; L21-R23 PolarHBondContact O-N 3.07Å; L21-R23 VanDerWaalsContact O-N 3.16Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 2.84Å; R23-L26 HydrophobicContact CB-CB 3.93Å; R23-L26 PolarHBondContact O-N 3.22Å; R23-T27 PolarHBondContact O-N 3.22Å; R23-T27 PolarHBondContact O-OG1 3.07Å
24L91.3Very high91.8Very high37 Ų3760.1 Ų60.119%0.19431%0.314CS..Hα-helixtrans-50.9-43.6-177.4-177.866.7000113.5G22 L26 T27 R28 I62 M67 Y70G22-L24 PolarHBondContact O-N 2.68Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.85Å; L24-T27 WeakPolarHBondContact O-CB 3.34Å; L24-T27 PolarHBondContact O-N 2.98Å; L24-R28 PolarHBondContact O-N 3.42Å; L24-I62 HydrophobicContact CB-CD1 4.15Å; L24-I62 HydrophobicContact CB-CG2 4.2Å; L24-I62 HydrophobicContact CD2-CD1 3.54Å; L24-I62 HydrophobicContact CG-CD1 4.43Å; L24-M67 HydrophobicContact CB-CE 4.4Å; L24-M67 HydrophobicContact CD1-SD 4.34Å; L24-Y70 HydrophobicContact CD1-CD1 3.36Å; L24-Y70 HydrophobicContact CD1-CD2 4.34Å; L24-Y70 HydrophobicContact CD1-CE1 4.07Å; L24-Y70 HydrophobicContact CD1-CG 3.54Å
25R92.5Very high91.8Very high213 Ų21357.6 Ų57.680%0.80430%0.297SS*.Hα-helixtrans-65.5-32.1-179.6-170.9173.2-177.2167.71.4113R23 L29R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 2.84Å; R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 3.2Å
26L92.3Very high91.8Very high75 Ų7564.7 Ų64.739%0.39333%0.325SS..Hα-helixtrans-78.2-39.1176.6-155.5155.6000110.3A18 R23 L24 R28 L29 L30A18-L26 HydrophobicContact CB-CB 4.37Å; A18-L26 HydrophobicContact CB-CD2 3.48Å; A18-L26 VanDerWaalsContact CB-CD2 3.48Å; A18-L26 HydrophobicContact CB-CG 4.49Å; R23-L26 HydrophobicContact CB-CB 3.93Å; R23-L26 PolarHBondContact O-N 3.22Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.85Å; L26-R28 PolarHBondContact O-N 3.38Å; L26-L29 PolarHBondContact O-N 3.06Å; L26-L30 HydrophobicContact CD2-CD1 3.65Å; L26-L30 HydrophobicContact CD2-CG 4.08Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.06Å; L26-L30 VanDerWaalsContact O-N 3.08Å
27T93.4Very high91.8Very high0 Ų066.3 Ų66.30%033%0.333CS..Hα-helixtrans-57.9-47.1172.1-49.60000110.9L15 V19 R23 L24 L30 L31 M67 Y70 L71L15-T27 HydrophobicContact CD1-CG2 3.9Å; V19-T27 HydrophobicContact CG2-CG2 3.69Å; R23-T27 PolarHBondContact O-N 3.22Å; R23-T27 PolarHBondContact O-OG1 3.07Å; L24-T27 WeakPolarHBondContact O-CB 3.34Å; L24-T27 PolarHBondContact O-N 2.98Å; T27-L30 PolarHBondContact O-N 3.39Å; T27-L31 WeakPolarHBondContact O-CG 3.26Å; T27-L31 PolarHBondContact O-N 3.39Å; T27-M67 HydrophobicContact CG2-SD 4.22Å; T27-Y70 HydrophobicContact CG2-CD1 4.41Å; T27-Y70 HydrophobicContact CG2-CE1 4.17Å; T27-L71 HydrophobicContact CG2-CD2 4.15Å
28R94.1Very high91.9Very high124 Ų12462.5 Ų62.547%0.46832%0.318SS..Hα-helixtrans-52.4-56.6173-99-176.4-179.8-137.80.3112.5L24 L26 L30 L31 E32 Y70L24-R28 PolarHBondContact O-N 3.42Å; L26-R28 PolarHBondContact O-N 3.38Å; R28-L30 PolarHBondContact O-N 3.32Å; R28-L31 PolarHBondContact O-N 3.39Å; R28-L31 VanDerWaalsContact O-N 3.12Å; R28-E32 VanDerWaalsContact O-CB 3.3Å; R28-E32 WeakPolarHBondContact O-CB 3.41Å; R28-E32 VanDerWaalsContact O-CG 3.26Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 3.42Å; R28-Y70 HydrophobicContact CG-CE1 3.92Å; R28-Y70 HydrophobicContact CG-CE2 3.97Å; R28-Y70 VanDerWaalsContact CG-CZ 3.42Å; R28-Y70 WeakPolarHBondContact CG-OH 3.23Å
29L95.5Very high91.8Very high106 Ų10665.1 Ų65.156%0.55533%0.33SS*.Hα-helixtrans-61.4-28.3-177.5-71169.3000113.3R25 L26 G33R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 3.2Å; L26-L29 PolarHBondContact O-N 3.06Å; L29-G33 PolarHBondContact O-N 2.82Å
30L94.1Very high91.7Very high44 Ų4468.1 Ų68.123%0.2335%0.351CS..Hα-helixtrans-76.2-42.1174.2-69.8176.6000112.4S14 L15 A18 L26 T27 R28 G33 G34 A35S14-L30 WeakPolarHBondContact O-CD1 3.4Å; L15-L30 HydrophobicContact CB-CD1 4.4Å; L15-L30 HydrophobicContact CD1-CB 4.14Å; L15-L30 HydrophobicContact CD1-CD1 4.49Å; A18-L30 HydrophobicContact CB-CD1 3.84Å; L26-L30 HydrophobicContact CD2-CD1 3.65Å; L26-L30 HydrophobicContact CD2-CG 4.08Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.06Å; L26-L30 VanDerWaalsContact O-N 3.08Å; T27-L30 PolarHBondContact O-N 3.39Å; R28-L30 PolarHBondContact O-N 3.32Å; L30-G33 CarbonylContact O-C 3.39Å; L30-G33 WeakPolarHBondContact O-CA 3.25Å; L30-G33 PolarHBondContact O-N 2.83Å; L30-G34 PolarHBondContact O-N 3.25Å; L30-A35 HydrophobicContact CB-CB 4.08Å; L30-A35 WeakPolarHBondContact O-CB 3.11Å; L30-A35 PolarHBondContact O-N 3.37Å
31L93.7Very high91.8Very high21 Ų2166 Ų6611%0.1134%0.344CS..Hα-helixtrans-69-42.5176.1-63.3-170.6000112L15 T27 R28 G33 G34 I37 Y70 N74L15-L31 HydrophobicContact CD1-CD2 3.65Å; L15-L31 HydrophobicContact CD1-CG 4.09Å; L15-L31 HydrophobicContact CD2-CD2 3.69Å; L15-L31 HydrophobicContact CG-CD2 4.34Å; T27-L31 WeakPolarHBondContact O-CG 3.26Å; T27-L31 PolarHBondContact O-N 3.39Å; R28-L31 PolarHBondContact O-N 3.39Å; R28-L31 VanDerWaalsContact O-N 3.12Å; L31-G33 PolarHBondContact O-N 2.95Å; L31-G34 PolarHBondContact O-N 2.85Å; L31-I37 HydrophobicContact CD1-CG1 4.13Å; L31-I37 HydrophobicContact CD2-CB 4.47Å; L31-I37 HydrophobicContact CD2-CG1 3.53Å; L31-I37 HydrophobicContact CG-CG1 4.43Å; L31-Y70 HydrophobicContact CD1-CE1 3.95Å; L31-N74 HydrophobicContact CD1-CB 4.16Å
32E93.4Very high91.9Very high128 Ų12868.7 Ų68.760%0.59836%0.358SS*.Hα-helixtrans-61-30.6170.4-68.6163.5-163.100111.4R28 G34R28-E32 VanDerWaalsContact O-CB 3.3Å; R28-E32 WeakPolarHBondContact O-CB 3.41Å; R28-E32 VanDerWaalsContact O-CG 3.26Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 3.42Å; E32-G34 VanDerWaalsContact C-N 3.3Å
33G93.4Very high91.8Very high66 Ų6671.8 Ų71.868%0.6837%0.369SS*.THydrogen-bonded Turntrans-80.52.4171.900000115.5L29 L30 L31L29-G33 PolarHBondContact O-N 2.82Å; L30-G33 CarbonylContact O-C 3.39Å; L30-G33 WeakPolarHBondContact O-CA 3.25Å; L30-G33 PolarHBondContact O-N 2.83Å; L31-G33 PolarHBondContact O-N 2.95Å
34G90.4Very high91.7Very high65 Ų6567.7 Ų67.767%0.6736%0.356SS*.THydrogen-bonded Turntrans85.415.817600000116.2L30 L31 E32L30-G34 PolarHBondContact O-N 3.25Å; L31-G34 PolarHBondContact O-N 2.85Å; E32-G34 VanDerWaalsContact C-N 3.3Å
35A92.4Very high91.7Very high24 Ų2466.7 Ų66.720%0.19835%0.351CS..  trans-61.9137.6169.100000110.5L15 L30 I37L15-A35 HydrophobicContact CB-CB 4.37Å; L15-A35 HydrophobicContact CD2-CB 4.44Å; L30-A35 HydrophobicContact CB-CB 4.08Å; L30-A35 WeakPolarHBondContact O-CB 3.11Å; L30-A35 PolarHBondContact O-N 3.37Å; A35-I37 PolarHBondContact O-N 3.4Å
36Y91.3Very high91.8Very high151 Ų15156.6 Ų56.659%0.59231%0.313SS*.  trans-84.2118.2-171.9178.6-106.2000110.1N38 E39Y36-N38 HydrophobicContact CD1-CB 4.23Å; Y36-N38 HydrophobicContact CE1-CB 3.6Å; Y36-N38 PolarHBondContact O-N 3.42Å; Y36-N38 VanDerWaalsContact O-N 3.15Å; Y36-E39 HydrophobicContact CD1-CG 4.3Å; Y36-E39 PolarHBondContact N-OE1 2.92Å; Y36-E39 WeakPolarHBondContact O-CB 3.4Å; Y36-E39 WeakPolarHBondContact O-CG 3.19Å; Y36-E39 PolarHBondContact O-N 2.95Å
37I91.7Very high91.8Very high33 Ų3353 Ų5317%0.16929%0.294CS..THydrogen-bonded Turntrans-57.3-37.7-168.5-60.3159.4000112.5L31 A35 E39 N74 A76L31-I37 HydrophobicContact CD1-CG1 4.13Å; L31-I37 HydrophobicContact CD2-CB 4.47Å; L31-I37 HydrophobicContact CD2-CG1 3.53Å; L31-I37 HydrophobicContact CG-CG1 4.43Å; A35-I37 PolarHBondContact O-N 3.4Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 2.94Å; I37-N74 HydrophobicContact CD1-CB 3.75Å; I37-N74 WeakPolarHBondContact CD1-O 3.06Å; I37-A76 HydrophobicContact CG2-CB 3.49Å; I37-A76 VanDerWaalsContact CG2-CB 3.49Å
38N91.9Very high91.8Very high22 Ų2253.1 Ų53.112%0.11829%0.294CS..THydrogen-bonded Turntrans-90.319.2179.6-64.2-32.4000112.8Y36 S40 D77 I80Y36-N38 HydrophobicContact CD1-CB 4.23Å; Y36-N38 HydrophobicContact CE1-CB 3.6Å; Y36-N38 PolarHBondContact O-N 3.42Å; Y36-N38 VanDerWaalsContact O-N 3.15Å; N38-S40 PolarHBondContact O-N 3.15Å; N38-D77 PolarHBondContact ND2-OD2 3.03Å; N38-D77 PolarHBondContact OD1-N 3.28Å; N38-I80 HydrophobicContact CB-CD1 3.65Å
39E89.6Confident91.8Very high57 Ų5747.2 Ų47.227%0.26627%0.272SS..  trans-52.2134165.3-88.6165.6-143.500110L16 Y36 I37 T46L16-E39 HydrophobicContact CD1-CB 4.16Å; Y36-E39 HydrophobicContact CD1-CG 4.3Å; Y36-E39 PolarHBondContact N-OE1 2.92Å; Y36-E39 WeakPolarHBondContact O-CB 3.4Å; Y36-E39 WeakPolarHBondContact O-CG 3.19Å; Y36-E39 PolarHBondContact O-N 2.95Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 2.94Å; E39-T46 WeakPolarHBondContact O-CA 3.09Å
40S90.1Very high91.6Very high64 Ų6442.2 Ų42.245%0.44825%0.246SC..BIsolated β-bridgetrans-120152.317458.90000110.9N13 N38 E45N13-S40 VanDerWaalsContact ND2-C 3.33Å; N13-S40 PolarHBondContact ND2-O 3.4Å; N38-S40 PolarHBondContact O-N 3.15Å; S40-E45 WeakPolarHBondContact CA-O 3.32Å
41N89.9Confident91.4Very high12 Ų1240.1 Ų40.16%0.06424%0.235CC..  trans-91.1-170.7179.370-3.5000112.8R9 L16 K43 G44 E45R9-N41 PolarHBondContact O-ND2 3.34Å; L16-N41 HydrophobicContact CD2-CB 3.82Å; N41-K43 PolarHBondContact O-N 2.6Å; N41-K43 WeakPolarHBondContact OD1-CA 3.32Å; N41-K43 WeakPolarHBondContact OD1-CB 3.34Å; N41-K43 PolarHBondContact OD1-N 2.59Å; N41-G44 PolarHBondContact O-N 3.27Å; N41-G44 PolarHBondContact OD1-N 2.67Å; N41-G44 VanDerWaalsContact OD1-N 3.15Å; N41-E45 PolarHBondContact N-O 3.35Å; N41-E45 PolarHBondContact ND2-OE2 3.32Å; N41-E45 PolarHBondContact OD1-N 2.71Å; N41-E45 PolarHBondContact OD1-OE2 3.05Å
42D89.2Confident91.3Very high97 Ų9739.1 Ų39.152%0.51923%0.23SC..THydrogen-bonded Turntrans-51.9-21.4172.6-86.9-7000114.9R9 K83R9-D42 IonicContact CZ-OD2 3.06Å; R9-D42 VanDerWaalsContact CZ-OD2 3.28Å; R9-D42 IonicContact NH1-OD2 3.25Å; R9-D42 PolarHBondContact NH1-OD2 3.27Å; R9-D42 IonicContact NH2-OD2 2.7Å; R9-D42 PolarHBondContact NH2-OD2 3.08Å; D42-K83 WeakPolarHBondContact O-CD 3.4Å; D42-K83 VanDerWaalsContact O-CE 3.28Å; D42-K83 WeakPolarHBondContact O-CE 3.1Å; D42-K83 PolarHBondContact O-NZ 3.19Å
43K86.8Confident91Very high74 Ų7433.4 Ų33.432%0.32220%0.203SC..THydrogen-bonded Turntrans-99.9-3.2177.7-61.7176.6-174.6171.60113.3E7 N41 E45 K83E7-K43 PolarHBondContact O-NZ 2.59Å; N41-K43 PolarHBondContact O-N 2.6Å; N41-K43 WeakPolarHBondContact OD1-CA 3.32Å; N41-K43 WeakPolarHBondContact OD1-CB 3.34Å; N41-K43 PolarHBondContact OD1-N 2.59Å; K43-E45 VanDerWaalsContact C-N 3.27Å; K43-E45 HydrophobicContact CB-CG 3.9Å; K43-E45 VanDerWaalsContact CD-OE1 3.29Å; K43-E45 WeakPolarHBondContact CD-OE1 3.5Å; K43-E45 WeakPolarHBondContact CD-OE2 3.32Å; K43-K83 WeakPolarHBondContact O-CB 3.27Å; K43-K83 VanDerWaalsContact O-CG 3.32Å; K43-K83 WeakPolarHBondContact O-CG 3.33Å; K43-K83 PolarHBondContact O-N 3.46Å
44G89.6Confident90.6Very high8 Ų830.9 Ų30.98%0.08218%0.175CC..  trans796.4-173.300000114N41N41-G44 PolarHBondContact O-N 3.27Å; N41-G44 PolarHBondContact OD1-N 2.67Å; N41-G44 VanDerWaalsContact OD1-N 3.15Å
45E90.8Very high90Very high17 Ų1733.6 Ų33.68%0.07917%0.168CC..  trans-75.3127.1-179-60.615515700109.5L8 L16 S40 N41 K43 M49 V50 D82L8-E45 VanDerWaalsContact CD2-CD 3.4Å; L8-E45 WeakPolarHBondContact CD2-OE1 3.45Å; L8-E45 WeakPolarHBondContact CD2-OE2 3.1Å; L16-E45 WeakPolarHBondContact CD2-O 3.37Å; S40-E45 WeakPolarHBondContact CA-O 3.32Å; N41-E45 PolarHBondContact N-O 3.35Å; N41-E45 PolarHBondContact ND2-OE2 3.32Å; N41-E45 PolarHBondContact OD1-N 2.71Å; N41-E45 PolarHBondContact OD1-OE2 3.05Å; K43-E45 VanDerWaalsContact C-N 3.27Å; K43-E45 HydrophobicContact CB-CG 3.9Å; K43-E45 VanDerWaalsContact CD-OE1 3.29Å; K43-E45 WeakPolarHBondContact CD-OE1 3.5Å; K43-E45 WeakPolarHBondContact CD-OE2 3.32Å; E45-M49 HydrophobicContact CB-SD 4.42Å; E45-V50 HydrophobicContact CB-CG2 4.47Å; E45-D82 HydrophobicContact CG-CB 4.44Å
46T93.4Very high88.7Confident1 Ų135.8 Ų35.81%0.00617%0.174CC..BIsolated β-bridgetrans-88.8167.9176.766.20000112.3E39 L48 M49 V50 I80E39-T46 WeakPolarHBondContact O-CA 3.09Å; T46-L48 PolarHBondContact O-N 3.3Å; T46-M49 HydrophobicContact CG2-CE 4.36Å; T46-M49 PolarHBondContact N-SD 3.43Å; T46-M49 PolarHBondContact O-N 3.28Å; T46-M49 VanDerWaalsContact O-N 3.07Å; T46-V50 WeakPolarHBondContact O-CG2 3.27Å; T46-V50 PolarHBondContact O-N 3.03Å; T46-I80 HydrophobicContact CG2-CB 4.17Å; T46-I80 HydrophobicContact CG2-CD1 4.04Å; T46-I80 HydrophobicContact CG2-CG2 3.66Å
47A93.1Very high87.5Confident0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-49.6-41.3173.100000112.8L15 L16 V19 V50 A51 L71L15-A47 HydrophobicContact CD2-CB 4.24Å; L15-A47 HydrophobicContact CG-CB 4.35Å; L16-A47 HydrophobicContact CD1-CB 4.08Å; V19-A47 WeakPolarHBondContact CG1-O 3.36Å; V19-A47 HydrophobicContact CG2-CB 4.38Å; A47-V50 PolarHBondContact O-N 3.15Å; A47-A51 PolarHBondContact O-N 2.72Å; A47-L71 HydrophobicContact CB-CD1 4.35Å; A47-L71 HydrophobicContact CB-CD2 4.29Å
48L94.1Very high86.6Confident1 Ų136.4 Ų36.41%0.00519%0.192CC..Hα-helixtrans-67.6-39.9179.3-169.172.4000112.6T46 A51 C52 V68 L71 L72 A76 P78 A88 L105T46-L48 PolarHBondContact O-N 3.3Å; L48-A51 PolarHBondContact O-N 2.85Å; L48-C52 PolarHBondContact O-N 3.48Å; L48-C52 PolarHBondContact O-SG 3.15Å; L48-V68 HydrophobicContact CD1-CG1 4.1Å; L48-L71 HydrophobicContact CD1-CB 3.93Å; L48-L71 HydrophobicContact CD1-CD1 4.36Å; L48-L72 HydrophobicContact CD1-CD2 3.93Å; L48-L72 HydrophobicContact CD1-CG 3.94Å; L48-L72 HydrophobicContact CD2-CD2 3.91Å; L48-A76 HydrophobicContact CB-CB 4.34Å; L48-A76 HydrophobicContact CD1-CB 4.35Å; L48-A76 HydrophobicContact CD2-CB 4.37Å; L48-P78 HydrophobicContact CD2-CB 3.99Å; L48-A88 HydrophobicContact CB-CB 4.46Å; L48-A88 HydrophobicContact CD2-CB 3.78Å; L48-A88 HydrophobicContact CG-CB 3.9Å; L48-L105 HydrophobicContact CD1-CD2 4.3Å; L48-L105 HydrophobicContact CD2-CD2 3.8Å; L48-L105 HydrophobicContact CG-CD2 4.17Å
49M92.8Very high85.6Confident1 Ų145.3 Ų45.31%0.00523%0.233CC..Hα-helixtrans-64.9-44.1173.8-61.8172.4-172.600111.1E45 T46 A51 C52 I53 I80 D82 K86 A88E45-M49 HydrophobicContact CB-SD 4.42Å; T46-M49 HydrophobicContact CG2-CE 4.36Å; T46-M49 PolarHBondContact N-SD 3.43Å; T46-M49 PolarHBondContact O-N 3.28Å; T46-M49 VanDerWaalsContact O-N 3.07Å; M49-A51 VanDerWaalsContact C-N 3.28Å; M49-A51 PolarHBondContact O-N 3.32Å; M49-C52 WeakPolarHBondContact O-CB 3.46Å; M49-C52 PolarHBondContact O-N 3.44Å; M49-I53 HydrophobicContact CB-CD1 4.31Å; M49-I53 WeakPolarHBondContact O-CD1 3.45Å; M49-I53 VanDerWaalsContact O-CG1 3.25Å; M49-I53 WeakPolarHBondContact O-CG1 3.43Å; M49-I53 PolarHBondContact O-N 2.96Å; M49-I80 HydrophobicContact CE-CB 4.32Å; M49-I80 HydrophobicContact CE-CG2 4.14Å; M49-I80 WeakPolarHBondContact CE-O 3.45Å; M49-D82 HydrophobicContact CE-CB 4.42Å; M49-D82 HydrophobicContact SD-CB 3.96Å; M49-K86 WeakPolarHBondContact CE-O 3.32Å; M49-A88 HydrophobicContact CG-CB 4.06Å
50V91Very high84.9Confident0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-57.1-42.4176.4171.60000110.8L8 L16 V19 W20 E45 T46 A47 C52 I53 T54L8-V50 HydrophobicContact CD1-CG1 4.21Å; L8-V50 HydrophobicContact CD1-CG2 4.35Å; L16-V50 HydrophobicContact CB-CG2 4.48Å; L16-V50 HydrophobicContact CD2-CG2 4.45Å; L16-V50 HydrophobicContact CG-CG2 4.24Å; V19-V50 HydrophobicContact CG1-CB 4.5Å; V19-V50 HydrophobicContact CG1-CG1 4.22Å; W20-V50 HydrophobicContact CB-CG1 3.87Å; W20-V50 HydrophobicContact CG-CG1 4.48Å; E45-V50 HydrophobicContact CB-CG2 4.47Å; T46-V50 WeakPolarHBondContact O-CG2 3.27Å; T46-V50 PolarHBondContact O-N 3.03Å; A47-V50 PolarHBondContact O-N 3.15Å; V50-C52 PolarHBondContact O-N 3.49Å; V50-I53 PolarHBondContact O-N 3.27Å; V50-I53 VanDerWaalsContact O-N 3.11Å; V50-T54 HydrophobicContact CG1-CG2 4.25Å; V50-T54 VanDerWaalsContact O-CG2 3.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.26Å; V50-T54 PolarHBondContact O-N 3.1Å; V50-T54 VanDerWaalsContact O-N 3.09Å; V50-T54 PolarHBondContact O-OG1 3.25Å
51A91.4Very high84.4Confident1 Ų148.2 Ų48.21%0.00824%0.243CC..Hα-helixtrans-60.9-25.5175.800000114.3V19 A47 L48 M49 T54 M67 V68 L71V19-A51 HydrophobicContact CG1-CB 3.67Å; A47-A51 PolarHBondContact O-N 2.72Å; L48-A51 PolarHBondContact O-N 2.85Å; M49-A51 VanDerWaalsContact C-N 3.28Å; M49-A51 PolarHBondContact O-N 3.32Å; A51-T54 PolarHBondContact O-OG1 2.93Å; A51-M67 HydrophobicContact CB-CG 4.07Å; A51-V68 HydrophobicContact CB-CG2 3.73Å; A51-L71 HydrophobicContact CB-CD1 3.94Å
52C90.6Very high84.2Confident0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-85.4-33.2173.5-60.20000112.7L48 M49 V50 H91 A92 R95L48-C52 PolarHBondContact O-N 3.48Å; L48-C52 PolarHBondContact O-SG 3.15Å; M49-C52 WeakPolarHBondContact O-CB 3.46Å; M49-C52 PolarHBondContact O-N 3.44Å; V50-C52 PolarHBondContact O-N 3.49Å; C52-H91 HydrophobicContact CB-CB 4.31Å; C52-A92 HydrophobicContact CB-CB 4.23Å; C52-R95 WeakPolarHBondContact O-CB 3.44Å
53I87.9Confident84.1Confident7 Ų748.6 Ų48.64%0.03625%0.25CC..Hα-helixtrans-77.5-30-175.4-64.7161.1000112.9L8 M49 V50 H91 R95L8-I53 HydrophobicContact CD1-CB 4.26Å; L8-I53 HydrophobicContact CD1-CG2 3.78Å; L8-I53 HydrophobicContact CG-CG2 4.49Å; M49-I53 HydrophobicContact CB-CD1 4.31Å; M49-I53 WeakPolarHBondContact O-CD1 3.45Å; M49-I53 VanDerWaalsContact O-CG1 3.25Å; M49-I53 WeakPolarHBondContact O-CG1 3.43Å; M49-I53 PolarHBondContact O-N 2.96Å; V50-I53 PolarHBondContact O-N 3.27Å; V50-I53 VanDerWaalsContact O-N 3.11Å; I53-H91 HydrophobicContact CG1-CB 4.1Å; I53-R95 PolarHBondContact O-NH1 2.79Å
54T85.3Confident84.2Confident14 Ų1447.8 Ų47.89%0.08625%0.246CC..  trans-58.2141.4-17545.20000113.6W20 V50 A51 K64W20-T54 HydrophobicContact CB-CG2 4.39Å; W20-T54 HydrophobicContact CG-CG2 4.23Å; W20-T54 WeakPolarHBondContact O-CG2 3.48Å; V50-T54 HydrophobicContact CG1-CG2 4.25Å; V50-T54 VanDerWaalsContact O-CG2 3.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.26Å; V50-T54 PolarHBondContact O-N 3.1Å; V50-T54 VanDerWaalsContact O-N 3.09Å; V50-T54 PolarHBondContact O-OG1 3.25Å; A51-T54 PolarHBondContact O-OG1 2.93Å; T54-K64 WeakPolarHBondContact O-CE 3.26Å; T54-K64 PolarHBondContact O-NZ 3.32Å
55K76.8Confident84.2Confident122 Ų12248 Ų4853%0.5325%0.247SC..  trans-109.50166.5-69.1-172.5176.3-171.90113D3 V57D3-K55 IonicContact OD1-NZ 2.69Å; D3-K55 PolarHBondContact OD1-NZ 3.16Å; D3-K55 IonicContact OD2-NZ 2.82Å; K55-V57 PolarHBondContact O-N 2.95Å
56H65.6Low84.3Confident70 Ų7053 Ų5332%0.32427%0.268SS..  trans-65.3126-174.5-67-75.8000112.1W20W20-H56 AromaticContact CD2-NE2 3.91Å; W20-H56 AromaticContact CE2-CD2 3.85Å; W20-H56 AromaticContact CE2-NE2 3.28Å; W20-H56 VanDerWaalsContact CE2-NE2 3.28Å; W20-H56 AromaticContact CH2-CE1 3.78Å; W20-H56 AromaticContact CH2-NE2 3.58Å; W20-H56 AromaticContact CZ2-CE1 3.78Å; W20-H56 AromaticContact CZ2-NE2 3.13Å; W20-H56 WeakPolarHBondContact CZ2-NE2 3.31Å; W20-H56 AromaticContact NE1-NE2 3.73Å; W20-H56 PolarHBondContact O-CD2 3.16Å
57V65.9Low84.2Confident129 Ų12953.2 Ų53.278%0.78227%0.269SS*.  trans-12862173.6-170.70000107.9K55 S61K55-V57 PolarHBondContact O-N 2.95Å; V57-S61 WeakPolarHBondContact CA-OG 3.15Å
58D73.1Confident84.2Confident67 Ų6753.2 Ų53.236%0.35827%0.269SS..  trans-68.7152.7168.3-66.22.7000109.2Q60 S61D58-Q60 PolarHBondContact O-N 3.34Å; D58-S61 PolarHBondContact N-OG 2.83Å; D58-S61 WeakPolarHBondContact O-CB 3.43Å; D58-S61 PolarHBondContact O-N 3.49Å; D58-S61 PolarHBondContact O-OG 3.11Å
59Q70.3Confident84.2Confident209 Ų20958.1 Ų58.198%0.97729%0.29SS*.THydrogen-bonded Turntrans-56.9-20.6172.1-66.3177.2-10.700113.9
60Q74.7Confident84.3Confident156 Ų15659.2 Ų59.273%0.72929%0.294SS*.THydrogen-bonded Turntrans-105-1.3176.2-62.5-174.8-4.700113.6D58D58-Q60 PolarHBondContact O-N 3.34Å
61S80.4Confident84.4Confident26 Ų2659.2 Ų59.218%0.18229%0.294CS..PPolyproline II helixtrans-74.2148.5172.470.60000110V57 D58V57-S61 WeakPolarHBondContact CA-OG 3.15Å; D58-S61 PolarHBondContact N-OG 2.83Å; D58-S61 WeakPolarHBondContact O-CB 3.43Å; D58-S61 PolarHBondContact O-N 3.49Å; D58-S61 PolarHBondContact O-OG 3.11Å
62I85.6Confident84.6Confident46 Ų4659.5 Ų59.524%0.23630%0.296CS..PPolyproline II helixtrans-101.1155.8174.3-146167.5000110.6G22 L24 K66 M67G22-I62 PolarHBondContact O-N 3.19Å; L24-I62 HydrophobicContact CB-CD1 4.15Å; L24-I62 HydrophobicContact CB-CG2 4.2Å; L24-I62 HydrophobicContact CD2-CD1 3.54Å; L24-I62 HydrophobicContact CG-CD1 4.43Å; I62-K66 HydrophobicContact CD1-CB 4.41Å; I62-K66 HydrophobicContact CD1-CD 3.57Å; I62-K66 HydrophobicContact CD1-CG 3.85Å; I62-K66 HydrophobicContact CG1-CB 4.32Å; I62-K66 HydrophobicContact CG1-CD 3.99Å; I62-K66 HydrophobicContact CG1-CG 4.28Å; I62-M67 HydrophobicContact CG2-CB 3.98Å; I62-M67 HydrophobicContact CG2-CE 4.25Å
63S87.8Confident84.7Confident71 Ų7164.4 Ų64.450%0.49732%0.322SS..PPolyproline II helixtrans-55.8140.817858.80000111.8S65 K66 M67S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.16Å; S63-K66 PolarHBondContact O-N 3.17Å; S63-K66 WeakPolarHBondContact OG-CB 3.31Å; S63-M67 PolarHBondContact O-N 3.17Å; S63-M67 VanDerWaalsContact O-N 3.08Å
64K88Confident85Confident57 Ų5766.8 Ų66.825%0.24834%0.335CS..Hα-helixtrans-53.3-46-175.2-53.8-169.8-161.8-174.10111.7T54 K66 M67 V68 V101T54-K64 WeakPolarHBondContact O-CE 3.26Å; T54-K64 PolarHBondContact O-NZ 3.32Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 3.37Å; K64-M67 PolarHBondContact O-N 3.14Å; K64-M67 VanDerWaalsContact O-N 3.13Å; K64-V68 WeakPolarHBondContact O-CB 3.43Å; K64-V68 WeakPolarHBondContact O-CG2 3.33Å; K64-V68 PolarHBondContact O-N 3.11Å; K64-V101 HydrophobicContact CB-CG2 4.32Å
65S90.6Very high85.3Confident13 Ų1376.2 Ų76.29%0.09137%0.369CS..Hα-helixtrans-53.9-39.6175.9-28.70000113.1S63 K69 E100S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.16Å; S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 PolarHBondContact O-N 3.49Å; S65-E100 WeakPolarHBondContact CB-OE1 3.07Å; S65-E100 WeakPolarHBondContact CB-OE2 3.45Å; S65-E100 VanDerWaalsContact OG-CD 3.25Å; S65-E100 PolarHBondContact OG-OE2 3.45Å
66K91.8Very high86.1Confident123 Ų12370.7 Ų70.754%0.53535%0.346SS..Hα-helixtrans-78.5-29.2-179.5-167.9164176177.40112.9I62 S63 K64 Y70I62-K66 HydrophobicContact CD1-CB 4.41Å; I62-K66 HydrophobicContact CD1-CD 3.57Å; I62-K66 HydrophobicContact CD1-CG 3.85Å; I62-K66 HydrophobicContact CG1-CB 4.32Å; I62-K66 HydrophobicContact CG1-CD 3.99Å; I62-K66 HydrophobicContact CG1-CG 4.28Å; S63-K66 PolarHBondContact O-N 3.17Å; S63-K66 WeakPolarHBondContact OG-CB 3.31Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 3.37Å; K66-Y70 WeakPolarHBondContact O-CB 2.96Å; K66-Y70 PolarHBondContact O-N 3.27Å; K66-Y70 VanDerWaalsContact O-N 3.16Å
67M91.9Very high87.5Confident4 Ų471.4 Ų71.42%0.0235%0.352CS..Hα-helixtrans-71.4-48.9169.1-177.26381.300111.2V19 G22 L24 T27 A51 I62 S63 K64 K69 Y70 L71V19-M67 HydrophobicContact CG1-CG 3.97Å; V19-M67 HydrophobicContact CG1-SD 4.39Å; V19-M67 HydrophobicContact CG2-SD 4.18Å; G22-M67 WeakPolarHBondContact O-CE 3.42Å; L24-M67 HydrophobicContact CB-CE 4.4Å; L24-M67 HydrophobicContact CD1-SD 4.34Å; T27-M67 HydrophobicContact CG2-SD 4.22Å; A51-M67 HydrophobicContact CB-CG 4.07Å; I62-M67 HydrophobicContact CG2-CB 3.98Å; I62-M67 HydrophobicContact CG2-CE 4.25Å; S63-M67 PolarHBondContact O-N 3.17Å; S63-M67 VanDerWaalsContact O-N 3.08Å; K64-M67 PolarHBondContact O-N 3.14Å; K64-M67 VanDerWaalsContact O-N 3.13Å; M67-K69 PolarHBondContact O-N 3.43Å; M67-Y70 PolarHBondContact O-N 3.17Å; M67-L71 HydrophobicContact CG-CD1 4.34Å; M67-L71 WeakPolarHBondContact O-CG 3.35Å; M67-L71 PolarHBondContact O-N 2.69Å
68V93.7Very high88.8Confident0 Ų065.7 Ų65.70%032%0.317CS..Hα-helixtrans-57.3-49.7176.1167.70000110.3L48 A51 K64 Y70 L71 L72 V101 L105L48-V68 HydrophobicContact CD1-CG1 4.1Å; A51-V68 HydrophobicContact CB-CG2 3.73Å; K64-V68 WeakPolarHBondContact O-CB 3.43Å; K64-V68 WeakPolarHBondContact O-CG2 3.33Å; K64-V68 PolarHBondContact O-N 3.11Å; V68-Y70 PolarHBondContact O-N 3.13Å; V68-L71 PolarHBondContact O-N 2.82Å; V68-L71 VanDerWaalsContact O-N 3.15Å; V68-L72 HydrophobicContact CG1-CD1 3.71Å; V68-L72 HydrophobicContact CG1-CG 4.38Å; V68-L72 WeakPolarHBondContact O-CG 3.41Å; V68-L72 PolarHBondContact O-N 2.83Å; V68-V101 HydrophobicContact CG1-CG1 4.38Å; V68-V101 HydrophobicContact CG2-CG1 4.17Å; V68-L105 HydrophobicContact CG1-CD2 4.31Å; V68-L105 HydrophobicContact CG1-CG 4.36Å
69K94Very high89.8Confident104 Ų10465.1 Ų65.145%0.45232%0.315SS..Hα-helixtrans-56-48.8175.3179.8161.6-176.11580111.9S65 M67 L71 L72 D73 L104S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 PolarHBondContact O-N 3.49Å; M67-K69 PolarHBondContact O-N 3.43Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 3.14Å; K69-L72 PolarHBondContact O-N 3.02Å; K69-L72 VanDerWaalsContact O-N 3.16Å; K69-D73 WeakPolarHBondContact O-CB 3.22Å; K69-D73 PolarHBondContact O-N 2.75Å; K69-L104 HydrophobicContact CB-CD1 4.21Å; K69-L104 HydrophobicContact CB-CD2 4.41Å; K69-L104 HydrophobicContact CD-CD2 4.13Å; K69-L104 HydrophobicContact CG-CD2 4.48Å
70Y94.5Very high90.9Very high24 Ų2457.6 Ų57.69%0.09428%0.281CS..Hα-helixtrans-61.3-37.3178.1177.2-107.7000112.7L24 T27 R28 L31 K66 M67 V68 N74L24-Y70 HydrophobicContact CD1-CD1 3.36Å; L24-Y70 HydrophobicContact CD1-CD2 4.34Å; L24-Y70 HydrophobicContact CD1-CE1 4.07Å; L24-Y70 HydrophobicContact CD1-CG 3.54Å; T27-Y70 HydrophobicContact CG2-CD1 4.41Å; T27-Y70 HydrophobicContact CG2-CE1 4.17Å; R28-Y70 HydrophobicContact CG-CE1 3.92Å; R28-Y70 HydrophobicContact CG-CE2 3.97Å; R28-Y70 VanDerWaalsContact CG-CZ 3.42Å; R28-Y70 WeakPolarHBondContact CG-OH 3.23Å; L31-Y70 HydrophobicContact CD1-CE1 3.95Å; K66-Y70 WeakPolarHBondContact O-CB 2.96Å; K66-Y70 PolarHBondContact O-N 3.27Å; K66-Y70 VanDerWaalsContact O-N 3.16Å; M67-Y70 PolarHBondContact O-N 3.17Å; V68-Y70 PolarHBondContact O-N 3.13Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.43Å; Y70-N74 PolarHBondContact O-N 3.4Å; Y70-N74 PolarHBondContact O-ND2 2.86Å; Y70-N74 PolarHBondContact OH-ND2 2.97Å
71L93.8Very high91.8Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-65.9-41.7175-68.4170.4000111.9V19 T27 A47 L48 A51 M67 V68 K69 N74 R75 A76V19-L71 HydrophobicContact CG1-CD1 4.11Å; V19-L71 HydrophobicContact CG2-CD1 4.24Å; V19-L71 HydrophobicContact CG2-CD2 4.29Å; T27-L71 HydrophobicContact CG2-CD2 4.15Å; A47-L71 HydrophobicContact CB-CD1 4.35Å; A47-L71 HydrophobicContact CB-CD2 4.29Å; L48-L71 HydrophobicContact CD1-CB 3.93Å; L48-L71 HydrophobicContact CD1-CD1 4.36Å; A51-L71 HydrophobicContact CB-CD1 3.94Å; M67-L71 HydrophobicContact CG-CD1 4.34Å; M67-L71 WeakPolarHBondContact O-CG 3.35Å; M67-L71 PolarHBondContact O-N 2.69Å; V68-L71 PolarHBondContact O-N 2.82Å; V68-L71 VanDerWaalsContact O-N 3.15Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 3.14Å; L71-N74 PolarHBondContact O-N 2.99Å; L71-R75 PolarHBondContact O-N 2.86Å; L71-A76 HydrophobicContact CB-CB 4.07Å; L71-A76 VanDerWaalsContact O-CB 3.23Å; L71-A76 WeakPolarHBondContact O-CB 3.43Å; L71-A76 PolarHBondContact O-N 3.05Å
72L94.3Very high92.4Very high8 Ų853.6 Ų53.64%0.04226%0.259CS..Hα-helixtrans-67.2-40.4176.3-64.9168.8000112.3L48 V68 K69 N74 R75 L104 L105 N108L48-L72 HydrophobicContact CD1-CD2 3.93Å; L48-L72 HydrophobicContact CD1-CG 3.94Å; L48-L72 HydrophobicContact CD2-CD2 3.91Å; V68-L72 HydrophobicContact CG1-CD1 3.71Å; V68-L72 HydrophobicContact CG1-CG 4.38Å; V68-L72 WeakPolarHBondContact O-CG 3.41Å; V68-L72 PolarHBondContact O-N 2.83Å; K69-L72 PolarHBondContact O-N 3.02Å; K69-L72 VanDerWaalsContact O-N 3.16Å; L72-N74 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact O-N 3.15Å; L72-R75 WeakPolarHBondContact O-CA 3.43Å; L72-R75 PolarHBondContact O-N 2.89Å; L72-L104 HydrophobicContact CD1-CB 4.33Å; L72-L105 HydrophobicContact CD1-CD2 4.25Å; L72-L105 HydrophobicContact CD2-CD2 4.37Å; L72-N108 HydrophobicContact CB-CB 4.31Å; L72-N108 HydrophobicContact CD1-CB 4.08Å; L72-N108 HydrophobicContact CD2-CB 3.9Å; L72-N108 HydrophobicContact CG-CB 4.32Å
73D93.9Very high92.7Very high102 Ų10257.2 Ų57.255%0.54527%0.273SS..Hα-helixtrans-56.7-29.4173.9-66.7-28.7000111.8K69K69-D73 WeakPolarHBondContact O-CB 3.22Å; K69-D73 PolarHBondContact O-N 2.75Å
74N93Very high92.8Very high57 Ų5755.7 Ų55.731%0.30526%0.262SS..THydrogen-bonded Turntrans-89.43.6175.5-71.1-89.2000114.1L31 I37 Y70 L71 L72L31-N74 HydrophobicContact CD1-CB 4.16Å; I37-N74 HydrophobicContact CD1-CB 3.75Å; I37-N74 WeakPolarHBondContact CD1-O 3.06Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.43Å; Y70-N74 PolarHBondContact O-N 3.4Å; Y70-N74 PolarHBondContact O-ND2 2.86Å; Y70-N74 PolarHBondContact OH-ND2 2.97Å; L71-N74 PolarHBondContact O-N 2.99Å; L72-N74 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact O-N 3.15Å
75R91.8Very high93Very high213 Ų21353.1 Ų53.180%0.80425%0.252SS*.THydrogen-bonded Turntrans72.544.7-175.9-45.2174-179.3-135.9-2.2114.8L71 L72L71-R75 PolarHBondContact O-N 2.86Å; L72-R75 WeakPolarHBondContact O-CA 3.43Å; L72-R75 PolarHBondContact O-N 2.89Å
76A93.8Very high93.1Very high5 Ų554.2 Ų54.24%0.04126%0.255CS..  trans-65.2132.5160.500000110.6I37 L48 L71 P78I37-A76 HydrophobicContact CG2-CB 3.49Å; I37-A76 VanDerWaalsContact CG2-CB 3.49Å; L48-A76 HydrophobicContact CB-CB 4.34Å; L48-A76 HydrophobicContact CD1-CB 4.35Å; L48-A76 HydrophobicContact CD2-CB 4.37Å; L71-A76 HydrophobicContact CB-CB 4.07Å; L71-A76 VanDerWaalsContact O-CB 3.23Å; L71-A76 WeakPolarHBondContact O-CB 3.43Å; L71-A76 PolarHBondContact O-N 3.05Å; A76-P78 WeakPolarHBondContact O-CD 3.35Å
77D93.9Very high93.3Very high86 Ų8648.4 Ų48.446%0.4623%0.23SC..  trans-83.4116.3-178.7-72.5-59.3000111.5N38 N79 I80N38-D77 PolarHBondContact ND2-OD2 3.03Å; N38-D77 PolarHBondContact OD1-N 3.28Å; D77-N79 VanDerWaalsContact C-N 3.28Å; D77-N79 PolarHBondContact O-N 3.27Å; D77-I80 HydrophobicContact CB-CD1 3.85Å; D77-I80 HydrophobicContact CB-CG1 3.91Å
78P93.7Very high93.3Very high8 Ų848.3 Ų48.35%0.05223%0.23CC..THydrogen-bonded Turntrans-74.1-17.9-176.930.5-35.9000114.3L48 A76 L105 A110L48-P78 HydrophobicContact CD2-CB 3.99Å; A76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-L105 HydrophobicContact CB-CD2 4.13Å; P78-A110 HydrophobicContact CB-CB 3.93Å; P78-A110 HydrophobicContact CG-CB 4.2Å
79N93.8Very high93.4Very high56 Ų5648.3 Ų48.330%0.29923%0.23SC..THydrogen-bonded Turntrans-93.91.7-172.5-66.6-27.4000113.9D77 G109 A110 D111 L114D77-N79 VanDerWaalsContact C-N 3.28Å; D77-N79 PolarHBondContact O-N 3.27Å; N79-G109 PolarHBondContact ND2-O 2.9Å; N79-A110 WeakPolarHBondContact OD1-CA 3.42Å; N79-D111 PolarHBondContact ND2-OD2 3.35Å; N79-D111 PolarHBondContact OD1-N 3.48Å; N79-L114 HydrophobicContact CB-CD1 3.78Å
80I93.8Very high93.3Very high51 Ų5143.3 Ų43.326%0.26221%0.208SC..  trans-62.2142.5168.5-62.8173.3000109N38 T46 M49 D77 T87N38-I80 HydrophobicContact CB-CD1 3.65Å; T46-I80 HydrophobicContact CG2-CB 4.17Å; T46-I80 HydrophobicContact CG2-CD1 4.04Å; T46-I80 HydrophobicContact CG2-CG2 3.66Å; M49-I80 HydrophobicContact CE-CB 4.32Å; M49-I80 HydrophobicContact CE-CG2 4.14Å; M49-I80 WeakPolarHBondContact CE-O 3.45Å; D77-I80 HydrophobicContact CB-CD1 3.85Å; D77-I80 HydrophobicContact CB-CG1 3.91Å; I80-T87 WeakPolarHBondContact O-CA 3.43Å
81Q93.9Very high93.2Very high87 Ų8743 Ų4341%0.40721%0.207SC..  trans-111.1142.1176.2-69.9-177-47.200111.4G85 K86 T87 E115Q81-G85 VanDerWaalsContact CD-O 3.29Å; Q81-G85 WeakPolarHBondContact CG-O 3.23Å; Q81-G85 PolarHBondContact NE2-O 3.02Å; Q81-K86 WeakPolarHBondContact CA-O 3.33Å; Q81-T87 HydrophobicContact CG-CG2 3.86Å; Q81-E115 PolarHBondContact NE2-O 3.18Å
82D92.4Very high93.1Very high11 Ų1143 Ų436%0.05921%0.208CC..  trans-76.6-176.4173.872.615.7000113.2E45 M49 S84 G85 K86 H91E45-D82 HydrophobicContact CG-CB 4.44Å; M49-D82 HydrophobicContact CE-CB 4.42Å; M49-D82 HydrophobicContact SD-CB 3.96Å; D82-S84 VanDerWaalsContact CG-OG 3.28Å; D82-S84 PolarHBondContact O-N 2.89Å; D82-S84 VanDerWaalsContact OD1-CA 3.25Å; D82-S84 WeakPolarHBondContact OD1-CA 2.96Å; D82-S84 WeakPolarHBondContact OD1-CB 3.25Å; D82-S84 PolarHBondContact OD1-N 3.35Å; D82-S84 PolarHBondContact OD1-OG 3.39Å; D82-S84 PolarHBondContact OD2-OG 3.16Å; D82-G85 PolarHBondContact O-N 3.38Å; D82-G85 PolarHBondContact OD1-N 3.34Å; D82-K86 PolarHBondContact N-O 3.44Å; D82-K86 PolarHBondContact OD1-N 3.05Å; D82-H91 IonicContact OD2-CD2 3.95Å; D82-H91 IonicContact OD2-CE1 2.58Å; D82-H91 PolarHBondContact OD2-CE1 3Å; D82-H91 IonicContact OD2-NE2 3.74Å; D82-H91 PolarHBondContact OD2-NE2 3.28Å
83K92.4Very high93Very high122 Ų12242.7 Ų42.753%0.5321%0.206SC..SBendtrans-71-7.3178-68.6-178.6-174.41780114.5D42 K43 R117D42-K83 WeakPolarHBondContact O-CD 3.4Å; D42-K83 VanDerWaalsContact O-CE 3.28Å; D42-K83 WeakPolarHBondContact O-CE 3.1Å; D42-K83 PolarHBondContact O-NZ 3.19Å; K43-K83 WeakPolarHBondContact O-CB 3.27Å; K43-K83 VanDerWaalsContact O-CG 3.32Å; K43-K83 WeakPolarHBondContact O-CG 3.33Å; K43-K83 PolarHBondContact O-N 3.46Å; K83-R117 PolarHBondContact O-NH1 3.12Å; K83-R117 PolarHBondContact O-NH2 3.04Å
84S90.6Very high92.8Very high38 Ų3841.1 Ų41.127%0.26620%0.197SC..SBendtrans-87.6-27.4161.234.70000113.4D82 K86 R117D82-S84 VanDerWaalsContact CG-OG 3.28Å; D82-S84 PolarHBondContact O-N 2.89Å; D82-S84 VanDerWaalsContact OD1-CA 3.25Å; D82-S84 WeakPolarHBondContact OD1-CA 2.96Å; D82-S84 WeakPolarHBondContact OD1-CB 3.25Å; D82-S84 PolarHBondContact OD1-N 3.35Å; D82-S84 PolarHBondContact OD1-OG 3.39Å; D82-S84 PolarHBondContact OD2-OG 3.16Å; S84-K86 VanDerWaalsContact CB-NZ 3.27Å; S84-K86 PolarHBondContact OG-NZ 2.72Å; S84-R117 WeakPolarHBondContact O-CB 3.11Å; S84-R117 WeakPolarHBondContact O-CD 3.5Å; S84-R117 WeakPolarHBondContact O-CG 3.3Å; S84-R117 PolarHBondContact O-N 2.81Å; S84-R117 VanDerWaalsContact O-N 3.16Å
85G91.9Very high92.5Very high3 Ų341.7 Ų41.73%0.03120%0.195CC..SBendtrans1133.6-171.700000113.5Q81 D82 D116Q81-G85 VanDerWaalsContact CD-O 3.29Å; Q81-G85 WeakPolarHBondContact CG-O 3.23Å; Q81-G85 PolarHBondContact NE2-O 3.02Å; D82-G85 PolarHBondContact O-N 3.38Å; D82-G85 PolarHBondContact OD1-N 3.34Å; G85-D116 PolarHBondContact N-OD1 3.21Å
86K92.8Very high92.3Very high37 Ų3738.5 Ų38.516%0.16118%0.183CC..  trans-85.1134.4-173.6-55.1-172.9179.284.70111.3M49 Q81 D82 S84 I90 I94 D116M49-K86 WeakPolarHBondContact CE-O 3.32Å; Q81-K86 WeakPolarHBondContact CA-O 3.33Å; D82-K86 PolarHBondContact N-O 3.44Å; D82-K86 PolarHBondContact OD1-N 3.05Å; S84-K86 VanDerWaalsContact CB-NZ 3.27Å; S84-K86 PolarHBondContact OG-NZ 2.72Å; K86-I90 HydrophobicContact CB-CB 4.12Å; K86-I90 HydrophobicContact CB-CG2 3.76Å; K86-I90 HydrophobicContact CD-CG2 3.84Å; K86-I90 HydrophobicContact CG-CG2 3.8Å; K86-I94 HydrophobicContact CD-CD1 3.77Å; K86-D116 HydrophobicContact CG-CB 4.17Å; K86-D116 WeakPolarHBondContact CG-OD1 3.26Å; K86-D116 PolarHBondContact N-OD1 3.23Å; K86-D116 IonicContact NZ-OD1 2.69Å; K86-D116 IonicContact NZ-OD2 2.67Å
87T94.4Very high91.7Very high1 Ų138.9 Ų38.91%0.00619%0.186CC..  trans-83.8168.8170.559.30000111.3I80 Q81 L89 I90 H91 L114I80-T87 WeakPolarHBondContact O-CA 3.43Å; Q81-T87 HydrophobicContact CG-CG2 3.86Å; T87-L89 PolarHBondContact O-N 3.32Å; T87-I90 PolarHBondContact O-N 3.15Å; T87-I90 VanDerWaalsContact O-N 3.16Å; T87-I90 PolarHBondContact OG1-N 3.23Å; T87-H91 PolarHBondContact O-CD2 3.42Å; T87-H91 PolarHBondContact O-N 2.97Å; T87-L114 HydrophobicContact CG2-CB 3.83Å; T87-L114 HydrophobicContact CG2-CD1 3.68Å; T87-L114 HydrophobicContact CG2-CG 4.4Å
88A93.9Very high91.2Very high1 Ų136.4 Ų36.41%0.00818%0.181CC..Hα-helixtrans-57.3-34.9171.700000112.2L48 M49 H91 A92 L105L48-A88 HydrophobicContact CB-CB 4.46Å; L48-A88 HydrophobicContact CD2-CB 3.78Å; L48-A88 HydrophobicContact CG-CB 3.9Å; M49-A88 HydrophobicContact CG-CB 4.06Å; A88-H91 PolarHBondContact O-N 3.16Å; A88-A92 WeakPolarHBondContact O-CB 3.25Å; A88-A92 PolarHBondContact O-N 2.81Å; A88-L105 HydrophobicContact CB-CD2 4.18Å
89L94.4Very high90.9Very high0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-63.6-44.6175.3-169.272.8000112.2T87 A92 C93 V102 L105 L106 A110 P112 A122 L138T87-L89 PolarHBondContact O-N 3.32Å; L89-A92 PolarHBondContact O-N 3.36Å; L89-C93 PolarHBondContact O-N 3.43Å; L89-C93 PolarHBondContact O-SG 3.41Å; L89-C93 VanDerWaalsContact O-SG 3.35Å; L89-V102 HydrophobicContact CD1-CG1 4.13Å; L89-L105 HydrophobicContact CD1-CB 4.03Å; L89-L105 HydrophobicContact CD1-CD1 4.26Å; L89-L106 HydrophobicContact CD1-CD2 4.1Å; L89-L106 HydrophobicContact CD1-CG 4.06Å; L89-L106 HydrophobicContact CD2-CD2 4Å; L89-A110 HydrophobicContact CB-CB 4.45Å; L89-A110 HydrophobicContact CD1-CB 4.39Å; L89-A110 HydrophobicContact CD2-CB 4.26Å; L89-P112 HydrophobicContact CD2-CB 4.05Å; L89-A122 HydrophobicContact CD2-CB 4.01Å; L89-A122 HydrophobicContact CG-CB 4.02Å; L89-L138 HydrophobicContact CD1-CD2 4.2Å; L89-L138 HydrophobicContact CD2-CD2 3.86Å; L89-L138 HydrophobicContact CG-CD2 4.18Å
90I93.2Very high90.8Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-62.3-45.1175.1-71.8169000110.6K86 T87 A92 C93 I94 D116 A122 Y125K86-I90 HydrophobicContact CB-CB 4.12Å; K86-I90 HydrophobicContact CB-CG2 3.76Å; K86-I90 HydrophobicContact CD-CG2 3.84Å; K86-I90 HydrophobicContact CG-CG2 3.8Å; T87-I90 PolarHBondContact O-N 3.15Å; T87-I90 VanDerWaalsContact O-N 3.16Å; T87-I90 PolarHBondContact OG1-N 3.23Å; I90-A92 PolarHBondContact O-N 2.92Å; I90-C93 PolarHBondContact O-N 3.15Å; I90-I94 HydrophobicContact CG2-CD1 3.64Å; I90-I94 HydrophobicContact CG2-CG1 4.37Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 2.98Å; I90-D116 HydrophobicContact CD1-CB 4.47Å; I90-A122 HydrophobicContact CG1-CB 3.86Å; I90-Y125 HydrophobicContact CG1-CD2 4.48Å; I90-Y125 HydrophobicContact CG2-CD2 3.61Å; I90-Y125 HydrophobicContact CG2-CE2 3.6Å; I90-Y125 HydrophobicContact CG2-CG 4.39Å
91H91.7Very high90.7Very high17 Ų1737.7 Ų37.78%0.07919%0.187CC..Hα-helixtrans-61.7-40.5176.5-81.9-68000112.6C52 I53 D82 T87 A88 C93 I94 R95C52-H91 HydrophobicContact CB-CB 4.31Å; I53-H91 HydrophobicContact CG1-CB 4.1Å; D82-H91 IonicContact OD2-CD2 3.95Å; D82-H91 IonicContact OD2-CE1 2.58Å; D82-H91 PolarHBondContact OD2-CE1 3Å; D82-H91 IonicContact OD2-NE2 3.74Å; D82-H91 PolarHBondContact OD2-NE2 3.28Å; T87-H91 PolarHBondContact O-CD2 3.42Å; T87-H91 PolarHBondContact O-N 2.97Å; A88-H91 PolarHBondContact O-N 3.16Å; H91-C93 VanDerWaalsContact C-N 3.32Å; H91-C93 PolarHBondContact O-N 2.98Å; H91-I94 PolarHBondContact O-N 2.91Å; H91-R95 WeakPolarHBondContact O-CB 3.2Å; H91-R95 PolarHBondContact O-N 3.25Å
92A91.5Very high90.7Very high1 Ų133.6 Ų33.61%0.00817%0.168CC..Hα-helixtrans-58.9-40.7175.800000112.6C52 A88 L89 I90 R96 A97 V101 V102 L105C52-A92 HydrophobicContact CB-CB 4.23Å; A88-A92 WeakPolarHBondContact O-CB 3.25Å; A88-A92 PolarHBondContact O-N 2.81Å; L89-A92 PolarHBondContact O-N 3.36Å; I90-A92 PolarHBondContact O-N 2.92Å; A92-R96 PolarHBondContact O-N 3.33Å; A92-R96 VanDerWaalsContact O-N 3.15Å; A92-A97 HydrophobicContact CB-CB 3.99Å; A92-A97 PolarHBondContact O-N 3.2Å; A92-V101 HydrophobicContact CB-CG1 4.1Å; A92-V102 HydrophobicContact CB-CG2 4.27Å; A92-L105 HydrophobicContact CB-CD1 4.01Å
93C91.4Very high90.8Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-70-44.9175.3-61.60000112.6L89 I90 H91 R95 R96 A126L89-C93 PolarHBondContact O-N 3.43Å; L89-C93 PolarHBondContact O-SG 3.41Å; L89-C93 VanDerWaalsContact O-SG 3.35Å; I90-C93 PolarHBondContact O-N 3.15Å; H91-C93 VanDerWaalsContact C-N 3.32Å; H91-C93 PolarHBondContact O-N 2.98Å; C93-R95 VanDerWaalsContact C-N 3.28Å; C93-R95 PolarHBondContact O-N 3.08Å; C93-R96 PolarHBondContact O-N 3.13Å; C93-A126 HydrophobicContact CB-CB 4.37Å
94I89.9Confident90.8Very high69 Ų6929.4 Ų29.435%0.35415%0.154SC..Hα-helixtrans-62.1-37.2178.7-68.1168.8000111.6K86 I90 H91 Y125K86-I94 HydrophobicContact CD-CD1 3.77Å; I90-I94 HydrophobicContact CG2-CD1 3.64Å; I90-I94 HydrophobicContact CG2-CG1 4.37Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 2.98Å; H91-I94 PolarHBondContact O-N 2.91Å; I94-Y125 HydrophobicContact CD1-CD1 3.79Å; I94-Y125 HydrophobicContact CD1-CD2 4.37Å; I94-Y125 HydrophobicContact CD1-CE1 3.82Å; I94-Y125 HydrophobicContact CD1-CE2 4.37Å; I94-Y125 HydrophobicContact CD1-CG 4.06Å; I94-Y125 HydrophobicContact CG1-CD1 3.47Å; I94-Y125 VanDerWaalsContact CG1-CD1 3.47Å; I94-Y125 HydrophobicContact CG1-CD2 4.39Å; I94-Y125 HydrophobicContact CG1-CE1 4.03Å; I94-Y125 HydrophobicContact CG1-CG 3.67Å
95R88.4Confident91Very high69 Ų6927.6 Ų27.626%0.2614%0.141SC..THydrogen-bonded Turntrans-97.35.4-174.3-73.9-88.2169.8146.5-15.3114.1T6 C52 I53 H91 C93 A97T6-R95 PolarHBondContact OG1-NH1 3.23Å; T6-R95 PolarHBondContact OG1-NH2 2.58Å; C52-R95 WeakPolarHBondContact O-CB 3.44Å; I53-R95 PolarHBondContact O-NH1 2.79Å; H91-R95 WeakPolarHBondContact O-CB 3.2Å; H91-R95 PolarHBondContact O-N 3.25Å; C93-R95 VanDerWaalsContact C-N 3.28Å; C93-R95 PolarHBondContact O-N 3.08Å; R95-A97 VanDerWaalsContact C-N 3.35Å; R95-A97 PolarHBondContact O-N 3.42Å
96R85.8Confident91Very high147 Ų14728.7 Ų28.756%0.55515%0.146SC*.THydrogen-bonded Turntrans47.953.8-176.5-47.6-171.6-169.1-122.46.8112.5A92 C93 G98 A129 D131A92-R96 PolarHBondContact O-N 3.33Å; A92-R96 VanDerWaalsContact O-N 3.15Å; C93-R96 PolarHBondContact O-N 3.13Å; R96-G98 PolarHBondContact O-N 2.91Å; R96-G98 VanDerWaalsContact O-N 3.12Å; R96-A129 HydrophobicContact CG-CB 4.45Å; R96-A129 PolarHBondContact NH1-O 3.12Å; R96-A129 PolarHBondContact NH2-O 3.11Å; R96-A129 VanDerWaalsContact NH2-O 3.09Å; R96-D131 VanDerWaalsContact CA-OD2 3.25Å; R96-D131 WeakPolarHBondContact CA-OD2 3.2Å; R96-D131 VanDerWaalsContact CB-OD2 3.23Å; R96-D131 WeakPolarHBondContact CB-OD2 3.32Å; R96-D131 WeakPolarHBondContact CD-OD1 3.32Å; R96-D131 VanDerWaalsContact CG-OD2 3.27Å; R96-D131 WeakPolarHBondContact CG-OD2 3.35Å; R96-D131 IonicContact CZ-OD1 3.48Å; R96-D131 IonicContact NE-OD1 3.78Å; R96-D131 IonicContact NH1-OD1 3.89Å; R96-D131 PolarHBondContact NH1-OD1 3.39Å
97A81.7Confident91Very high13 Ų1333 Ų3311%0.10717%0.167CC..  trans-68.6-8.5-174.500000114.1A92 R95 V101A92-A97 HydrophobicContact CB-CB 3.99Å; A92-A97 PolarHBondContact O-N 3.2Å; R95-A97 VanDerWaalsContact C-N 3.35Å; R95-A97 PolarHBondContact O-N 3.42Å; A97-V101 HydrophobicContact CB-CB 4.02Å; A97-V101 HydrophobicContact CB-CG1 3.83Å; A97-V101 HydrophobicContact CB-CG2 4.22Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å
98G83.4Confident90.9Very high34 Ų3436.4 Ų36.435%0.35119%0.185SC..  trans101.5149.618000000112.8R96 E100 V101 V102R96-G98 PolarHBondContact O-N 2.91Å; R96-G98 VanDerWaalsContact O-N 3.12Å; G98-E100 PolarHBondContact O-N 2.66Å; G98-V101 PolarHBondContact O-N 3.09Å; G98-V101 VanDerWaalsContact O-N 3.14Å; G98-V102 PolarHBondContact O-N 3.11Å
99G87.3Confident90.7Very high16 Ų1638.1 Ų38.117%0.16520%0.203CC..Hα-helixtrans-57.8-35.5-179.600000113.4V101 V102 S103G99-V101 PolarHBondContact O-N 2.92Å; G99-V102 PolarHBondContact O-N 3.28Å; G99-V102 VanDerWaalsContact O-N 3.16Å; G99-S103 PolarHBondContact O-N 2.95Å
100E91.3Very high90.6Very high125 Ų12538.1 Ų38.158%0.58420%0.203SC*.Hα-helixtrans-58.1-44.5175.2-170.1-168.8-176.500112.4S65 G98 V102 S103 L104S65-E100 WeakPolarHBondContact CB-OE1 3.07Å; S65-E100 WeakPolarHBondContact CB-OE2 3.45Å; S65-E100 VanDerWaalsContact OG-CD 3.25Å; S65-E100 PolarHBondContact OG-OE2 3.45Å; G98-E100 PolarHBondContact O-N 2.66Å; E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 3.2Å; E100-S103 PolarHBondContact O-N 3.16Å; E100-L104 HydrophobicContact CG-CD1 4.17Å; E100-L104 WeakPolarHBondContact O-CB 3.39Å; E100-L104 VanDerWaalsContact O-CG 3.26Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.85Å
101V92.8Very high90.4Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-64.2-38.9177.2171.70000111K64 V68 A92 A97 G98 G99 L105K64-V101 HydrophobicContact CB-CG2 4.32Å; V68-V101 HydrophobicContact CG1-CG1 4.38Å; V68-V101 HydrophobicContact CG2-CG1 4.17Å; A92-V101 HydrophobicContact CB-CG1 4.1Å; A97-V101 HydrophobicContact CB-CB 4.02Å; A97-V101 HydrophobicContact CB-CG1 3.83Å; A97-V101 HydrophobicContact CB-CG2 4.22Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; G98-V101 PolarHBondContact O-N 3.09Å; G98-V101 VanDerWaalsContact O-N 3.14Å; G99-V101 PolarHBondContact O-N 2.92Å; V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 WeakPolarHBondContact O-CD1 3.2Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 2.87Å; V101-L105 VanDerWaalsContact O-N 3.11Å
102V93.6Very high90.3Very high1 Ų140.2 Ų40.21%0.00622%0.215CC..Hα-helixtrans-68-43.2177.6175.50000111L89 A92 G98 G99 E100 L105 L106 A134 H137 L138L89-V102 HydrophobicContact CD1-CG1 4.13Å; A92-V102 HydrophobicContact CB-CG2 4.27Å; G98-V102 PolarHBondContact O-N 3.11Å; G99-V102 PolarHBondContact O-N 3.28Å; G99-V102 VanDerWaalsContact O-N 3.16Å; E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 3.2Å; V102-L105 PolarHBondContact O-N 3.23Å; V102-L106 HydrophobicContact CG1-CD1 3.75Å; V102-L106 WeakPolarHBondContact O-CD1 3.21Å; V102-L106 VanDerWaalsContact O-CG 3.24Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.42Å; V102-A134 HydrophobicContact CG2-CB 3.98Å; V102-H137 HydrophobicContact CG1-CB 4.11Å; V102-L138 HydrophobicContact CG1-CD2 4.33Å; V102-L138 HydrophobicContact CG1-CG 4.1Å
103S93.6Very high90Very high30 Ų3042.5 Ų42.521%0.2123%0.231CC..Hα-helixtrans-60.3-51.3175-159.40000111.2G99 E100 L105 L106 E107G99-S103 PolarHBondContact O-N 2.95Å; E100-S103 PolarHBondContact O-N 3.16Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 PolarHBondContact O-N 3.48Å; S103-L106 PolarHBondContact O-N 2.9Å; S103-E107 VanDerWaalsContact C-OE1 3.26Å; S103-E107 WeakPolarHBondContact CB-OE1 3.44Å; S103-E107 WeakPolarHBondContact O-CB 3.42Å; S103-E107 VanDerWaalsContact O-CG 3.26Å; S103-E107 WeakPolarHBondContact O-CG 3.46Å; S103-E107 PolarHBondContact O-N 3.15Å; S103-E107 PolarHBondContact OG-OE1 2.89Å
104L94.3Very high89.8Confident15 Ų1544.9 Ų44.98%0.07924%0.243CC..Hα-helixtrans-56.3-40.4178.2-73.1166.9000112.9K69 L72 E100 N108K69-L104 HydrophobicContact CB-CD1 4.21Å; K69-L104 HydrophobicContact CB-CD2 4.41Å; K69-L104 HydrophobicContact CD-CD2 4.13Å; K69-L104 HydrophobicContact CG-CD2 4.48Å; L72-L104 HydrophobicContact CD1-CB 4.33Å; E100-L104 HydrophobicContact CG-CD1 4.17Å; E100-L104 WeakPolarHBondContact O-CB 3.39Å; E100-L104 VanDerWaalsContact O-CG 3.26Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.85Å; L104-N108 WeakPolarHBondContact O-CB 3.25Å; L104-N108 PolarHBondContact O-N 3.45Å; L104-N108 PolarHBondContact O-ND2 2.95Å
105L93.8Very high89.8Confident0 Ų046.7 Ų46.70%025%0.25CS..Hα-helixtrans-66.2-44.3175.9-73.5167.4000111.8L48 V68 L72 P78 A88 L89 A92 V101 V102 S103 N108 G109 A110L48-L105 HydrophobicContact CD1-CD2 4.3Å; L48-L105 HydrophobicContact CD2-CD2 3.8Å; L48-L105 HydrophobicContact CG-CD2 4.17Å; V68-L105 HydrophobicContact CG1-CD2 4.31Å; V68-L105 HydrophobicContact CG1-CG 4.36Å; L72-L105 HydrophobicContact CD1-CD2 4.25Å; L72-L105 HydrophobicContact CD2-CD2 4.37Å; P78-L105 HydrophobicContact CB-CD2 4.13Å; A88-L105 HydrophobicContact CB-CD2 4.18Å; L89-L105 HydrophobicContact CD1-CB 4.03Å; L89-L105 HydrophobicContact CD1-CD1 4.26Å; A92-L105 HydrophobicContact CB-CD1 4.01Å; V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 WeakPolarHBondContact O-CD1 3.2Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 2.87Å; V101-L105 VanDerWaalsContact O-N 3.11Å; V102-L105 PolarHBondContact O-N 3.23Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 PolarHBondContact O-N 3.48Å; L105-N108 CarbonylContact O-C 3.5Å; L105-N108 PolarHBondContact O-N 3.42Å; L105-G109 PolarHBondContact O-N 2.75Å; L105-A110 HydrophobicContact CB-CB 4.1Å; L105-A110 WeakPolarHBondContact O-CB 3.11Å; L105-A110 PolarHBondContact O-N 2.65Å
106L92.8Very high89.9Confident26 Ų2643.9 Ų43.914%0.13624%0.241CC..Hα-helixtrans-68.7-40.1-179.6-67.3165.2000112.1L89 V102 S103 N108 G109 A110 P112 H137 L138 A141L89-L106 HydrophobicContact CD1-CD2 4.1Å; L89-L106 HydrophobicContact CD1-CG 4.06Å; L89-L106 HydrophobicContact CD2-CD2 4Å; V102-L106 HydrophobicContact CG1-CD1 3.75Å; V102-L106 WeakPolarHBondContact O-CD1 3.21Å; V102-L106 VanDerWaalsContact O-CG 3.24Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.42Å; S103-L106 PolarHBondContact O-N 2.9Å; L106-N108 VanDerWaalsContact C-N 3.26Å; L106-N108 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 3.48Å; L106-A110 HydrophobicContact CD2-CB 4.37Å; L106-P112 HydrophobicContact CD2-CB 4.47Å; L106-P112 HydrophobicContact CD2-CG 4.4Å; L106-H137 HydrophobicContact CD1-CB 4.22Å; L106-L138 HydrophobicContact CD1-CD2 4.25Å; L106-L138 HydrophobicContact CD2-CD2 4.38Å; L106-A141 HydrophobicContact CB-CB 4.41Å; L106-A141 HydrophobicContact CD1-CB 3.87Å; L106-A141 HydrophobicContact CD2-CB 3.81Å; L106-A141 HydrophobicContact CG-CB 4.24Å
107E92.3Very high90.2Very high128 Ų12846.1 Ų46.160%0.59825%0.249SC*.Hα-helixtrans-58-37.2172.3-73.1160.4-135.800112S103 G109S103-E107 VanDerWaalsContact C-OE1 3.26Å; S103-E107 WeakPolarHBondContact CB-OE1 3.44Å; S103-E107 WeakPolarHBondContact O-CB 3.42Å; S103-E107 VanDerWaalsContact O-CG 3.26Å; S103-E107 WeakPolarHBondContact O-CG 3.46Å; S103-E107 PolarHBondContact O-N 3.15Å; S103-E107 PolarHBondContact OG-OE1 2.89Å; E107-G109 VanDerWaalsContact C-N 3.26Å; E107-G109 PolarHBondContact O-N 3.22Å
108N92.7Very high90.5Very high72 Ų7250.3 Ų50.339%0.38527%0.273SS..THydrogen-bonded Turntrans-89.321.6176.7-72-90.5000113.3L72 L104 L105 L106L72-N108 HydrophobicContact CB-CB 4.31Å; L72-N108 HydrophobicContact CD1-CB 4.08Å; L72-N108 HydrophobicContact CD2-CB 3.9Å; L72-N108 HydrophobicContact CG-CB 4.32Å; L104-N108 WeakPolarHBondContact O-CB 3.25Å; L104-N108 PolarHBondContact O-N 3.45Å; L104-N108 PolarHBondContact O-ND2 2.95Å; L105-N108 CarbonylContact O-C 3.5Å; L105-N108 PolarHBondContact O-N 3.42Å; L106-N108 VanDerWaalsContact C-N 3.26Å; L106-N108 PolarHBondContact O-N 3.48Å
109G88.8Confident90.6Very high37 Ų3750.8 Ų50.838%0.38128%0.279SS..THydrogen-bonded Turntrans8816.3168.100000116.1N79 L105 L106 E107N79-G109 PolarHBondContact ND2-O 2.9Å; L105-G109 PolarHBondContact O-N 2.75Å; L106-G109 PolarHBondContact O-N 3.48Å; E107-G109 VanDerWaalsContact C-N 3.26Å; E107-G109 PolarHBondContact O-N 3.22Å
110A92.9Very high90.6Very high0 Ų050.7 Ų50.70%028%0.276CS..  trans-58.4139.7173.400000112.3P78 N79 L89 L105 L106 P112 K145P78-A110 HydrophobicContact CB-CB 3.93Å; P78-A110 HydrophobicContact CG-CB 4.2Å; N79-A110 WeakPolarHBondContact OD1-CA 3.42Å; L89-A110 HydrophobicContact CB-CB 4.45Å; L89-A110 HydrophobicContact CD1-CB 4.39Å; L89-A110 HydrophobicContact CD2-CB 4.26Å; L105-A110 HydrophobicContact CB-CB 4.1Å; L105-A110 WeakPolarHBondContact O-CB 3.11Å; L105-A110 PolarHBondContact O-N 2.65Å; L106-A110 HydrophobicContact CD2-CB 4.37Å; A110-P112 WeakPolarHBondContact O-CD 3.44Å; A110-K145 PolarHBondContact O-NZ 2.83Å
111D89.6Confident90.5Very high58 Ų5845.4 Ų45.431%0.3125%0.253SS..  trans-98.3106.8179-82.9-46.9000112.2N79 S113 L114 K145N79-D111 PolarHBondContact ND2-OD2 3.35Å; N79-D111 PolarHBondContact OD1-N 3.48Å; D111-S113 PolarHBondContact O-N 2.99Å; D111-L114 HydrophobicContact CB-CD1 3.84Å; D111-L114 HydrophobicContact CB-CG 3.81Å; D111-L114 PolarHBondContact O-N 2.91Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-K145 IonicContact OD1-NZ 2.68Å; D111-K145 PolarHBondContact OD1-NZ 2.93Å
112P87.8Confident90.4Very high3 Ų345.4 Ų45.42%0.01925%0.253CS..THydrogen-bonded Turntrans-69.9-13.8179.829.5-35.8000113.5L89 L106 A110 S121 L138 K145L89-P112 HydrophobicContact CD2-CB 4.05Å; L106-P112 HydrophobicContact CD2-CB 4.47Å; L106-P112 HydrophobicContact CD2-CG 4.4Å; A110-P112 WeakPolarHBondContact O-CD 3.44Å; P112-S121 PolarHBondContact O-OG 2.76Å; P112-L138 HydrophobicContact CB-CD2 3.95Å; P112-K145 HydrophobicContact CG-CD 4.46Å
113S85.6Confident90.1Very high50 Ų5046.1 Ų46.135%0.3526%0.257SS..THydrogen-bonded Turntrans-94.115.4173.263.60000114D111 K147D111-S113 PolarHBondContact O-N 2.99Å; S113-K147 VanDerWaalsContact CB-NZ 3.35Å; S113-K147 PolarHBondContact OG-NZ 3.43Å
114L88.1Confident89.8Confident50 Ų5047.8 Ų47.826%0.26227%0.265SS..  trans-80132.6161-70.3171.7000108.8N79 T87 D111N79-L114 HydrophobicContact CB-CD1 3.78Å; T87-L114 HydrophobicContact CG2-CB 3.83Å; T87-L114 HydrophobicContact CG2-CD1 3.68Å; T87-L114 HydrophobicContact CG2-CG 4.4Å; D111-L114 HydrophobicContact CB-CD1 3.84Å; D111-L114 HydrophobicContact CB-CG 3.81Å; D111-L114 PolarHBondContact O-N 2.91Å; D111-L114 VanDerWaalsContact O-N 3.15Å
115E90.1Very high89.6Confident107 Ų10749 Ų4950%0.527%0.269SS..BIsolated β-bridgetrans-111.4144.8-176.4-68.4172.9-165.500110.7Q81Q81-E115 PolarHBondContact NE2-O 3.18Å
116D91Very high89.3Confident10 Ų1049 Ų495%0.05327%0.269CS..  trans-65165167.1-174.746.9000110.9G85 K86 I90 T118 G119 A120 Y125G85-D116 PolarHBondContact N-OD1 3.21Å; K86-D116 HydrophobicContact CG-CB 4.17Å; K86-D116 WeakPolarHBondContact CG-OD1 3.26Å; K86-D116 PolarHBondContact N-OD1 3.23Å; K86-D116 IonicContact NZ-OD1 2.69Å; K86-D116 IonicContact NZ-OD2 2.67Å; I90-D116 HydrophobicContact CD1-CB 4.47Å; D116-T118 PolarHBondContact O-N 3.34Å; D116-T118 WeakPolarHBondContact OD2-CG2 3.46Å; D116-T118 PolarHBondContact OD2-OG1 3.18Å; D116-G119 PolarHBondContact O-N 3.02Å; D116-A120 PolarHBondContact N-O 3.01Å; D116-Y125 HydrophobicContact CB-CE2 4.47Å; D116-Y125 PolarHBondContact OD2-OH 2.86Å
117R91Very high89.1Confident193 Ų19350.4 Ų50.473%0.72828%0.276SS*.THydrogen-bonded Turntrans-60.6-8.6175-72.6171-163.8-176.84.8114.2K83 S84K83-R117 PolarHBondContact O-NH1 3.12Å; K83-R117 PolarHBondContact O-NH2 3.04Å; S84-R117 WeakPolarHBondContact O-CB 3.11Å; S84-R117 WeakPolarHBondContact O-CD 3.5Å; S84-R117 WeakPolarHBondContact O-CG 3.3Å; S84-R117 PolarHBondContact O-N 2.81Å; S84-R117 VanDerWaalsContact O-N 3.16Å
118T88.1Confident88.8Confident101 Ų10150.3 Ų50.362%0.6228%0.28SS*.THydrogen-bonded Turntrans-85.1-3.2172.6540000113.9D116 A120D116-T118 PolarHBondContact O-N 3.34Å; D116-T118 WeakPolarHBondContact OD2-CG2 3.46Å; D116-T118 PolarHBondContact OD2-OG1 3.18Å; T118-A120 VanDerWaalsContact C-N 3.28Å
119G86Confident88.4Confident45 Ų4547.5 Ų47.546%0.46427%0.267SS..SBendtrans76.812.9-171.500000113.6D116D116-G119 PolarHBondContact O-N 3.02Å
120A87.3Confident88.3Confident13 Ų1350.5 Ų50.511%0.10727%0.274CS..  trans-94.8113.7-177.800000111.6D116 T118 V124 Y125D116-A120 PolarHBondContact N-O 3.01Å; T118-A120 VanDerWaalsContact C-N 3.28Å; A120-V124 HydrophobicContact CB-CB 4.49Å; A120-Y125 HydrophobicContact CB-CD2 4.26Å; A120-Y125 HydrophobicContact CB-CE2 3.46Å; A120-Y125 VanDerWaalsContact CB-CE2 3.46Å
121S89.2Confident87.9Confident14 Ų1451.9 Ų51.910%0.09828%0.281CS..BIsolated β-bridgetrans-72.1158.4166.5157.60000111.4P112 L123 V124 Y125P112-S121 PolarHBondContact O-OG 2.76Å; S121-L123 PolarHBondContact O-N 2.98Å; S121-L123 VanDerWaalsContact O-N 3.1Å; S121-L123 PolarHBondContact OG-N 2.95Å; S121-V124 WeakPolarHBondContact O-CB 3.31Å; S121-V124 PolarHBondContact O-N 3.43Å; S121-Y125 WeakPolarHBondContact O-CD2 3.49Å; S121-Y125 PolarHBondContact O-N 3.39Å
122A89.2Confident87.8Confident1 Ų154.8 Ų54.81%0.00829%0.291CS..Hα-helixtrans-48.9-34.1172.300000113.8L89 I90 V124 Y125 A126 L138L89-A122 HydrophobicContact CD2-CB 4.01Å; L89-A122 HydrophobicContact CG-CB 4.02Å; I90-A122 HydrophobicContact CG1-CB 3.86Å; A122-V124 PolarHBondContact O-N 3.34Å; A122-Y125 PolarHBondContact O-N 2.99Å; A122-A126 PolarHBondContact O-N 3.34Å; A122-L138 HydrophobicContact CB-CD1 4.45Å; A122-L138 HydrophobicContact CB-CD2 4.26Å
123L88.3Confident87.9Confident15 Ų1558.8 Ų58.88%0.07931%0.313CS..Hα-helixtrans-58.1-43.7175-78.9159.7000112.6S121 Y125 A126 I127 L135 L138 L139 V149S121-L123 PolarHBondContact O-N 2.98Å; S121-L123 VanDerWaalsContact O-N 3.1Å; S121-L123 PolarHBondContact OG-N 2.95Å; L123-Y125 VanDerWaalsContact C-N 3.3Å; L123-Y125 PolarHBondContact O-N 3.07Å; L123-A126 PolarHBondContact O-N 3.41Å; L123-I127 WeakPolarHBondContact O-CD1 3.43Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 3.39Å; L123-L135 HydrophobicContact CD2-CD1 3.84Å; L123-L138 HydrophobicContact CD2-CB 3.65Å; L123-L138 HydrophobicContact CD2-CD1 4.32Å; L123-L138 HydrophobicContact CG-CB 4.27Å; L123-L139 HydrophobicContact CD2-CD2 4.49Å; L123-L139 HydrophobicContact CD2-CG 4.49Å; L123-V149 HydrophobicContact CD1-CG1 3.98Å; L123-V149 HydrophobicContact CD1-CG2 4.09Å
124V88.1Confident88Confident65 Ų6556.6 Ų56.639%0.39430%0.298SS..Hα-helixtrans-63.7-39.3179.7-1760000110.4A120 S121 A122 N128A120-V124 HydrophobicContact CB-CB 4.49Å; S121-V124 WeakPolarHBondContact O-CB 3.31Å; S121-V124 PolarHBondContact O-N 3.43Å; A122-V124 PolarHBondContact O-N 3.34Å; V124-N128 WeakPolarHBondContact O-CB 3.15Å; V124-N128 VanDerWaalsContact O-CG 3.23Å; V124-N128 PolarHBondContact O-N 3.28Å; V124-N128 PolarHBondContact O-ND2 3.47Å
125Y88.8Confident88.1Confident42 Ų4255 Ų5517%0.16529%0.289CS..Hα-helixtrans-70.3-38.2175.8-68.1-69.7000113.1I90 I94 D116 A120 S121 A122 L123 N128 A129I90-Y125 HydrophobicContact CG1-CD2 4.48Å; I90-Y125 HydrophobicContact CG2-CD2 3.61Å; I90-Y125 HydrophobicContact CG2-CE2 3.6Å; I90-Y125 HydrophobicContact CG2-CG 4.39Å; I94-Y125 HydrophobicContact CD1-CD1 3.79Å; I94-Y125 HydrophobicContact CD1-CD2 4.37Å; I94-Y125 HydrophobicContact CD1-CE1 3.82Å; I94-Y125 HydrophobicContact CD1-CE2 4.37Å; I94-Y125 HydrophobicContact CD1-CG 4.06Å; I94-Y125 HydrophobicContact CG1-CD1 3.47Å; I94-Y125 VanDerWaalsContact CG1-CD1 3.47Å; I94-Y125 HydrophobicContact CG1-CD2 4.39Å; I94-Y125 HydrophobicContact CG1-CE1 4.03Å; I94-Y125 HydrophobicContact CG1-CG 3.67Å; D116-Y125 HydrophobicContact CB-CE2 4.47Å; D116-Y125 PolarHBondContact OD2-OH 2.86Å; A120-Y125 HydrophobicContact CB-CD2 4.26Å; A120-Y125 HydrophobicContact CB-CE2 3.46Å; A120-Y125 VanDerWaalsContact CB-CE2 3.46Å; S121-Y125 WeakPolarHBondContact O-CD2 3.49Å; S121-Y125 PolarHBondContact O-N 3.39Å; A122-Y125 PolarHBondContact O-N 2.99Å; L123-Y125 VanDerWaalsContact C-N 3.3Å; L123-Y125 PolarHBondContact O-N 3.07Å; Y125-N128 PolarHBondContact O-N 3.2Å; Y125-A129 WeakPolarHBondContact O-CB 3.28Å; Y125-A129 PolarHBondContact O-N 3.49Å
126A88.5Confident88Confident0 Ų055.4 Ų55.40%029%0.289CS..Hα-helixtrans-63.2-39.817500000112.4C93 A122 L123 A129 D130 D131 L138C93-A126 HydrophobicContact CB-CB 4.37Å; A122-A126 PolarHBondContact O-N 3.34Å; L123-A126 PolarHBondContact O-N 3.41Å; A126-A129 PolarHBondContact O-N 3.26Å; A126-D130 PolarHBondContact O-N 3.03Å; A126-D131 PolarHBondContact O-N 3.22Å; A126-D131 VanDerWaalsContact O-N 3.17Å; A126-L138 HydrophobicContact CB-CD1 3.76Å
127I87.3Confident88Confident54 Ų5458.2 Ų58.228%0.27730%0.302SS..Hα-helixtrans-64.5-47.8173.5-63156.5000110.5L123 A129 D130 L135 I151 T153L123-I127 WeakPolarHBondContact O-CD1 3.43Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 3.39Å; I127-A129 PolarHBondContact O-N 3.09Å; I127-D130 PolarHBondContact O-N 3.33Å; I127-L135 HydrophobicContact CG1-CD1 4.09Å; I127-L135 HydrophobicContact CG1-CD2 4.33Å; I127-I151 HydrophobicContact CD1-CD1 4.13Å; I127-I151 HydrophobicContact CD1-CG1 4.43Å; I127-I151 HydrophobicContact CD1-CG2 3.48Å; I127-I151 VanDerWaalsContact CD1-CG2 3.48Å; I127-I151 HydrophobicContact CG1-CG2 4.4Å; I127-T153 HydrophobicContact CG2-CG2 4.12Å
128N87.1Confident87.9Confident127 Ų12749 Ų4968%0.67927%0.267SS*.Hα-helixtrans-64.9-19.4178.8-72.9-25.7000113.5V124 Y125V124-N128 WeakPolarHBondContact O-CB 3.15Å; V124-N128 VanDerWaalsContact O-CG 3.23Å; V124-N128 PolarHBondContact O-N 3.28Å; V124-N128 PolarHBondContact O-ND2 3.47Å; Y125-N128 PolarHBondContact O-N 3.2Å
129A84.9Confident87.9Confident13 Ų1344.8 Ų44.811%0.10724%0.241CC..Hα-helixtrans-86.4-20.717100000113.5R96 Y125 A126 I127 D131R96-A129 HydrophobicContact CG-CB 4.45Å; R96-A129 PolarHBondContact NH1-O 3.12Å; R96-A129 PolarHBondContact NH2-O 3.11Å; R96-A129 VanDerWaalsContact NH2-O 3.09Å; Y125-A129 WeakPolarHBondContact O-CB 3.28Å; Y125-A129 PolarHBondContact O-N 3.49Å; A126-A129 PolarHBondContact O-N 3.26Å; I127-A129 PolarHBondContact O-N 3.09Å; A129-D131 HydrophobicContact CB-CB 4.14Å
130D85.4Confident88.1Confident100 Ų10046.5 Ų46.554%0.53524%0.239SC..THydrogen-bonded Turntrans58.930.1-162.6-168.130000113.4A126 I127 K132A126-D130 PolarHBondContact O-N 3.03Å; I127-D130 PolarHBondContact O-N 3.33Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.06Å; D130-K132 VanDerWaalsContact OD1-CE 3.31Å; D130-K132 WeakPolarHBondContact OD1-CE 3.37Å; D130-K132 IonicContact OD1-NZ 2.75Å; D130-K132 PolarHBondContact OD1-NZ 2.95Å; D130-K132 IonicContact OD2-NZ 3.88Å; D130-K132 PolarHBondContact OD2-NZ 3.18Å
131D85.5Confident88.1Confident29 Ų2946.7 Ų46.716%0.15524%0.241CC..  trans-81.677.3178.4-85.311.4000110.4R96 A126 A129 D133 A134 L135R96-D131 VanDerWaalsContact CA-OD2 3.25Å; R96-D131 WeakPolarHBondContact CA-OD2 3.2Å; R96-D131 VanDerWaalsContact CB-OD2 3.23Å; R96-D131 WeakPolarHBondContact CB-OD2 3.32Å; R96-D131 WeakPolarHBondContact CD-OD1 3.32Å; R96-D131 VanDerWaalsContact CG-OD2 3.27Å; R96-D131 WeakPolarHBondContact CG-OD2 3.35Å; R96-D131 IonicContact CZ-OD1 3.48Å; R96-D131 IonicContact NE-OD1 3.78Å; R96-D131 IonicContact NH1-OD1 3.89Å; R96-D131 PolarHBondContact NH1-OD1 3.39Å; A126-D131 PolarHBondContact O-N 3.22Å; A126-D131 VanDerWaalsContact O-N 3.17Å; A129-D131 HydrophobicContact CB-CB 4.14Å; D131-D133 PolarHBondContact O-N 3.18Å; D131-D133 VanDerWaalsContact O-N 3.13Å; D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 PolarHBondContact O-N 3.38Å; D131-A134 VanDerWaalsContact O-N 3.17Å; D131-L135 PolarHBondContact O-N 2.99Å
132K87.3Confident87.9Confident118 Ų11846.2 Ų46.251%0.51324%0.238SC..Hα-helixtrans-53-35.7-173.9-62.5-177.9-179.8740114D130 K136D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.06Å; D130-K132 VanDerWaalsContact OD1-CE 3.31Å; D130-K132 WeakPolarHBondContact OD1-CE 3.37Å; D130-K132 IonicContact OD1-NZ 2.75Å; D130-K132 PolarHBondContact OD1-NZ 2.95Å; D130-K132 IonicContact OD2-NZ 3.88Å; D130-K132 PolarHBondContact OD2-NZ 3.18Å; K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 2.89Å; K132-K136 VanDerWaalsContact O-N 3.08Å
133D88.5Confident87.7Confident88 Ų8850.8 Ų50.847%0.47126%0.257SS..Hα-helixtrans-78.9-39.4-179-60-46.5000112.6D131 L135 K136 H137D131-D133 PolarHBondContact O-N 3.18Å; D131-D133 VanDerWaalsContact O-N 3.13Å; D133-L135 VanDerWaalsContact C-N 3.26Å; D133-L135 PolarHBondContact O-N 2.99Å; D133-K136 PolarHBondContact O-N 2.72Å; D133-K136 WeakPolarHBondContact OD1-CE 3.42Å; D133-K136 IonicContact OD1-NZ 2.91Å; D133-K136 PolarHBondContact OD1-NZ 2.89Å; D133-H137 PolarHBondContact O-CD2 2.97Å; D133-H137 PolarHBondContact O-N 2.91Å; D133-H137 VanDerWaalsContact O-N 3.15Å
134A88.7Confident87.4Confident4 Ų454.4 Ų54.43%0.03329%0.289CS..Hα-helixtrans-59.8-40.3169.300000111V102 D131 H137 L138V102-A134 HydrophobicContact CG2-CB 3.98Å; D131-A134 HydrophobicContact CB-CB 4.01Å; D131-A134 PolarHBondContact O-N 3.38Å; D131-A134 VanDerWaalsContact O-N 3.17Å; A134-H137 PolarHBondContact O-N 3.24Å; A134-L138 WeakPolarHBondContact O-CB 3.42Å; A134-L138 VanDerWaalsContact O-CG 3.25Å; A134-L138 WeakPolarHBondContact O-CG 3Å; A134-L138 PolarHBondContact O-N 3.15Å
135L89.3Confident87Confident16 Ų1655.5 Ų55.58%0.08429%0.289CS..Hα-helixtrans-63.1-40.2176.8-175.960000112.7L123 I127 D131 D133 L139 I151L123-L135 HydrophobicContact CD2-CD1 3.84Å; I127-L135 HydrophobicContact CG1-CD1 4.09Å; I127-L135 HydrophobicContact CG1-CD2 4.33Å; D131-L135 PolarHBondContact O-N 2.99Å; D133-L135 VanDerWaalsContact C-N 3.26Å; D133-L135 PolarHBondContact O-N 2.99Å; L135-L139 HydrophobicContact CD1-CD1 4.3Å; L135-L139 HydrophobicContact CD1-CG 4.31Å; L135-L139 HydrophobicContact CG-CD1 4.12Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.35Å; L135-L139 PolarHBondContact O-N 2.9Å; L135-I151 HydrophobicContact CD1-CD1 3.89Å
136K89.4Confident86.3Confident115 Ų11556.8 Ų56.850%0.532%0.315SS..Hα-helixtrans-58.7-56172.7-69.3164.8-164.71660111.1K132 D133 L138 L139 D140K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 2.89Å; K132-K136 VanDerWaalsContact O-N 3.08Å; D133-K136 PolarHBondContact O-N 2.72Å; D133-K136 WeakPolarHBondContact OD1-CE 3.42Å; D133-K136 IonicContact OD1-NZ 2.91Å; D133-K136 PolarHBondContact OD1-NZ 2.89Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.88Å; K136-L139 PolarHBondContact O-N 2.77Å; K136-L139 VanDerWaalsContact O-N 3.11Å; K136-D140 PolarHBondContact O-N 3.48Å
137H90.8Very high85.5Confident69 Ų6961.6 Ų61.632%0.31934%0.336SS..Hα-helixtrans-59-39.5-178.8-67.5-66.9000112.5V102 L106 D133 A134 A141V102-H137 HydrophobicContact CG1-CB 4.11Å; L106-H137 HydrophobicContact CD1-CB 4.22Å; D133-H137 PolarHBondContact O-CD2 2.97Å; D133-H137 PolarHBondContact O-N 2.91Å; D133-H137 VanDerWaalsContact O-N 3.15Å; A134-H137 PolarHBondContact O-N 3.24Å; H137-A141 WeakPolarHBondContact O-CB 3.5Å; H137-A141 PolarHBondContact O-N 3.3Å
138L89.2Confident84.3Confident0 Ų067.9 Ų67.90%036%0.364CS..Hα-helixtrans-66-43.5174.6-72.9168000112.6L89 V102 L106 P112 A122 L123 A126 A134 K136 A141 C142L89-L138 HydrophobicContact CD1-CD2 4.2Å; L89-L138 HydrophobicContact CD2-CD2 3.86Å; L89-L138 HydrophobicContact CG-CD2 4.18Å; V102-L138 HydrophobicContact CG1-CD2 4.33Å; V102-L138 HydrophobicContact CG1-CG 4.1Å; L106-L138 HydrophobicContact CD1-CD2 4.25Å; L106-L138 HydrophobicContact CD2-CD2 4.38Å; P112-L138 HydrophobicContact CB-CD2 3.95Å; A122-L138 HydrophobicContact CB-CD1 4.45Å; A122-L138 HydrophobicContact CB-CD2 4.26Å; L123-L138 HydrophobicContact CD2-CB 3.65Å; L123-L138 HydrophobicContact CD2-CD1 4.32Å; L123-L138 HydrophobicContact CG-CB 4.27Å; A126-L138 HydrophobicContact CB-CD1 3.76Å; A134-L138 WeakPolarHBondContact O-CB 3.42Å; A134-L138 VanDerWaalsContact O-CG 3.25Å; A134-L138 WeakPolarHBondContact O-CG 3Å; A134-L138 PolarHBondContact O-N 3.15Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.88Å; L138-A141 PolarHBondContact O-N 2.74Å; L138-C142 WeakPolarHBondContact O-CB 3.25Å; L138-C142 PolarHBondContact O-N 3.24Å; L138-C142 PolarHBondContact O-SG 3.39Å; L138-C142 VanDerWaalsContact O-SG 3.39Å
139L88Confident83.2Confident13 Ų1363.9 Ų63.97%0.06834%0.344CS..Hα-helixtrans-62.2-44.4176-79.1171.1000111.3L123 L135 K136 C142 K143 V149 I151 Y167L123-L139 HydrophobicContact CD2-CD2 4.49Å; L123-L139 HydrophobicContact CD2-CG 4.49Å; L135-L139 HydrophobicContact CD1-CD1 4.3Å; L135-L139 HydrophobicContact CD1-CG 4.31Å; L135-L139 HydrophobicContact CG-CD1 4.12Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.35Å; L135-L139 PolarHBondContact O-N 2.9Å; K136-L139 PolarHBondContact O-N 2.77Å; K136-L139 VanDerWaalsContact O-N 3.11Å; L139-C142 PolarHBondContact O-N 2.97Å; L139-C142 VanDerWaalsContact O-N 3.16Å; L139-K143 VanDerWaalsContact O-CD 3.22Å; L139-K143 WeakPolarHBondContact O-CD 3.41Å; L139-K143 VanDerWaalsContact O-CG 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.2Å; L139-K143 PolarHBondContact O-N 3.15Å; L139-V149 HydrophobicContact CD2-CB 4.34Å; L139-I151 HydrophobicContact CD1-CD1 4.35Å; L139-I151 HydrophobicContact CD2-CD1 3.9Å; L139-I151 HydrophobicContact CG-CD1 4.42Å; L139-Y167 HydrophobicContact CD1-CD1 4.28Å
140D88.6Confident82.2Confident80 Ų8068.7 Ų68.743%0.42837%0.367SS..Hα-helixtrans-64.9-38.5178-69-32.4000112.4K136 K143 A144K136-D140 PolarHBondContact O-N 3.48Å; D140-K143 PolarHBondContact O-N 3.39Å; D140-K143 WeakPolarHBondContact OD1-CE 3.36Å; D140-K143 IonicContact OD1-NZ 2.68Å; D140-K143 PolarHBondContact OD1-NZ 3.19Å; D140-A144 WeakPolarHBondContact O-CB 3.48Å; D140-A144 PolarHBondContact O-N 3.08Å
141A87.5Confident81.2Confident18 Ų1864.6 Ų64.615%0.14935%0.345CS..Hα-helixtrans-67.8-34.2170.600000113.4L106 H137 L138 A144 K145L106-A141 HydrophobicContact CB-CB 4.41Å; L106-A141 HydrophobicContact CD1-CB 3.87Å; L106-A141 HydrophobicContact CD2-CB 3.81Å; L106-A141 HydrophobicContact CG-CB 4.24Å; H137-A141 WeakPolarHBondContact O-CB 3.5Å; H137-A141 PolarHBondContact O-N 3.3Å; L138-A141 PolarHBondContact O-N 2.74Å; A141-A144 PolarHBondContact O-N 2.94Å; A141-K145 WeakPolarHBondContact O-CB 3.43Å; A141-K145 WeakPolarHBondContact O-CG 3.39Å; A141-K145 PolarHBondContact O-N 3.3Å
142C85.5Confident80Confident4 Ų469.2 Ų69.23%0.02737%0.368CS..Hα-helixtrans-68.6-40.3173.5-77.60000112.4L138 L139 K145 G146 K147 V149L138-C142 WeakPolarHBondContact O-CB 3.25Å; L138-C142 PolarHBondContact O-N 3.24Å; L138-C142 PolarHBondContact O-SG 3.39Å; L138-C142 VanDerWaalsContact O-SG 3.39Å; L139-C142 PolarHBondContact O-N 2.97Å; L139-C142 VanDerWaalsContact O-N 3.16Å; C142-K145 CarbonylContact O-C 3.39Å; C142-K145 PolarHBondContact O-N 3.14Å; C142-G146 PolarHBondContact O-N 3.39Å; C142-G146 VanDerWaalsContact O-N 3.13Å; C142-K147 PolarHBondContact O-N 2.92Å; C142-V149 HydrophobicContact CB-CG2 3.81Å
143K84.2Confident78.5Confident97 Ų9764.3 Ų64.342%0.42235%0.348SS..Hα-helixtrans-59.7-47.2171.4-70.2147.371.6176.50110.8L139 D140 K145 G146 N169L139-K143 VanDerWaalsContact O-CD 3.22Å; L139-K143 WeakPolarHBondContact O-CD 3.41Å; L139-K143 VanDerWaalsContact O-CG 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.2Å; L139-K143 PolarHBondContact O-N 3.15Å; D140-K143 PolarHBondContact O-N 3.39Å; D140-K143 WeakPolarHBondContact OD1-CE 3.36Å; D140-K143 IonicContact OD1-NZ 2.68Å; D140-K143 PolarHBondContact OD1-NZ 3.19Å; K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 3.04Å; K143-G146 PolarHBondContact O-N 3.43Å; K143-N169 HydrophobicContact CD-CB 3.8Å; K143-N169 VanDerWaalsContact CD-CG 3.47Å; K143-N169 VanDerWaalsContact CD-OD1 3.31Å; K143-N169 WeakPolarHBondContact CD-OD1 3.29Å; K143-N169 VanDerWaalsContact CE-OD1 3.24Å; K143-N169 WeakPolarHBondContact CE-OD1 3.42Å; K143-N169 HydrophobicContact CG-CB 4.1Å; K143-N169 PolarHBondContact NZ-OD1 2.76Å
144A83.4Confident76.6Confident91 Ų9164.7 Ų64.775%0.75235%0.354SS*.Hα-helixtrans-62.5-31.5175.600000113.2D140 A141 G146D140-A144 WeakPolarHBondContact O-CB 3.48Å; D140-A144 PolarHBondContact O-N 3.08Å; A141-A144 PolarHBondContact O-N 2.94Å; A144-G146 VanDerWaalsContact C-N 3.28Å
145K79Confident74.7Confident87 Ų8766.4 Ų66.438%0.37836%0.362SS..THydrogen-bonded Turntrans-8610.6172.9-70-178.5175.2-1740113.7A110 D111 P112 A141 C142 K143 K147A110-K145 PolarHBondContact O-NZ 2.83Å; D111-K145 IonicContact OD1-NZ 2.68Å; D111-K145 PolarHBondContact OD1-NZ 2.93Å; P112-K145 HydrophobicContact CG-CD 4.46Å; A141-K145 WeakPolarHBondContact O-CB 3.43Å; A141-K145 WeakPolarHBondContact O-CG 3.39Å; A141-K145 PolarHBondContact O-N 3.3Å; C142-K145 CarbonylContact O-C 3.39Å; C142-K145 PolarHBondContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 3.04Å; K145-K147 VanDerWaalsContact C-N 3.31Å; K145-K147 PolarHBondContact O-N 2.83Å
146G73.7Confident72.9Confident69 Ų6975.2 Ų75.271%0.71140%0.4SS*.THydrogen-bonded Turntrans68.221.7174.700000115.1C142 K143 A144C142-G146 PolarHBondContact O-N 3.39Å; C142-G146 VanDerWaalsContact O-N 3.13Å; K143-G146 PolarHBondContact O-N 3.43Å; A144-G146 VanDerWaalsContact C-N 3.28Å
147K72.9Confident70.7Confident101 Ų10171.9 Ų71.944%0.43939%0.391SS..  trans-105.6109.5-177.6-63.2-171.4-178.8-172.20110.6S113 C142 K145 V149S113-K147 VanDerWaalsContact CB-NZ 3.35Å; S113-K147 PolarHBondContact OG-NZ 3.43Å; C142-K147 PolarHBondContact O-N 2.92Å; K145-K147 VanDerWaalsContact C-N 3.31Å; K145-K147 PolarHBondContact O-N 2.83Å; K147-V149 PolarHBondContact O-N 2.99Å
148E61.6Low69Low187 Ų18775.1 Ų75.187%0.87442%0.421SS*.  trans-70.3105.6170.4-66.3-170.3170.300110.1
149V64.7Low67.2Low43 Ų4378.9 Ų78.926%0.26145%0.448SS..  trans-97.196.7178.6-174.60000109.5L123 L139 C142 K147 I151L123-V149 HydrophobicContact CD1-CG1 3.98Å; L123-V149 HydrophobicContact CD1-CG2 4.09Å; L139-V149 HydrophobicContact CD2-CB 4.34Å; C142-V149 HydrophobicContact CB-CG2 3.81Å; K147-V149 PolarHBondContact O-N 2.99Å; V149-I151 HydrophobicContact CG1-CD1 4.49Å; V149-I151 HydrophobicContact CG1-CG1 3.71Å; V149-I151 PolarHBondContact O-N 3.16Å; V149-I151 VanDerWaalsContact O-N 3.08Å
150I62.6Low65.1Low114 Ų11481.3 Ų81.359%0.58548%0.476SS*.  trans-77.991.3169.6-54.7179000108.6I152I150-I152 HydrophobicContact CG2-CG1 4.08Å; I150-I152 PolarHBondContact O-N 3.02Å
151I64.3Low63.1Low14 Ų1481.3 Ų81.37%0.07248%0.479CS..  trans-74.6107.4171.4-52.2174000108.4I127 L135 L139 V149 T153 Y167I127-I151 HydrophobicContact CD1-CD1 4.13Å; I127-I151 HydrophobicContact CD1-CG1 4.43Å; I127-I151 HydrophobicContact CD1-CG2 3.48Å; I127-I151 VanDerWaalsContact CD1-CG2 3.48Å; I127-I151 HydrophobicContact CG1-CG2 4.4Å; L135-I151 HydrophobicContact CD1-CD1 3.89Å; L139-I151 HydrophobicContact CD1-CD1 4.35Å; L139-I151 HydrophobicContact CD2-CD1 3.9Å; L139-I151 HydrophobicContact CG-CD1 4.42Å; V149-I151 HydrophobicContact CG1-CD1 4.49Å; V149-I151 HydrophobicContact CG1-CG1 3.71Å; V149-I151 PolarHBondContact O-N 3.16Å; V149-I151 VanDerWaalsContact O-N 3.08Å; I151-T153 HydrophobicContact CG2-CG2 3.55Å; I151-T153 PolarHBondContact O-N 3.36Å; I151-Y167 HydrophobicContact CB-CD2 4.18Å; I151-Y167 HydrophobicContact CD1-CD2 4.4Å; I151-Y167 HydrophobicContact CD1-CG 4.44Å; I151-Y167 HydrophobicContact CG2-CD2 4.48Å
152I61.1Low60.9Low125 Ų12589 Ų8964%0.64151%0.509SS*.BIsolated β-bridgetrans-90.484.9166.6-52.4178.8000107.6I150 T154 T164I150-I152 HydrophobicContact CG2-CG1 4.08Å; I150-I152 PolarHBondContact O-N 3.02Å; I152-T154 PolarHBondContact O-N 3.42Å; I152-T164 HydrophobicContact CG2-CG2 4.16Å
153T54.8Low59.1Low15 Ų1592 Ų929%0.09253%0.527CS..  trans-69.5128.2168.864.80000109.1I127 I151 D155 Y167I127-T153 HydrophobicContact CG2-CG2 4.12Å; I151-T153 HydrophobicContact CG2-CG2 3.55Å; I151-T153 PolarHBondContact O-N 3.36Å; T153-D155 VanDerWaalsContact C-N 3.33Å; T153-D155 WeakPolarHBondContact CB-OD1 3.49Å; T153-D155 PolarHBondContact O-N 3.37Å; T153-D155 PolarHBondContact OG1-OD1 2.58Å; T153-Y167 HydrophobicContact CG2-CE2 4.23Å
154T50.4Low57Low97 Ų9792.1 Ų92.160%0.59554%0.536SS*.  trans-89.977.6163.5600000107.6I152 K156I152-T154 PolarHBondContact O-N 3.42Å; T154-K156 PolarHBondContact O-N 3.06Å; T154-K156 VanDerWaalsContact O-N 3.14Å
155D47.1Very low55.5Low39 Ų3992.9 Ų92.921%0.20952%0.523CS..EExtended strand (participates in β ladder)trans-58.5121.9-178.3-74.314.5000109.6T153 S157 T163 K165T153-D155 VanDerWaalsContact C-N 3.33Å; T153-D155 WeakPolarHBondContact CB-OD1 3.49Å; T153-D155 PolarHBondContact O-N 3.37Å; T153-D155 PolarHBondContact OG1-OD1 2.58Å; D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.68Å; D155-S157 VanDerWaalsContact O-N 3.11Å; D155-T163 WeakPolarHBondContact CB-O 3.33Å; D155-T163 WeakPolarHBondContact CB-OG1 3.28Å; D155-T163 PolarHBondContact N-O 3.26Å; D155-K165 IonicContact OD2-NZ 2.59Å; D155-K165 PolarHBondContact OD2-NZ 2.72Å
156K51.7Low54.1Low201 Ų20194.8 Ų94.887%0.87453%0.533SS*.EExtended strand (participates in β ladder)trans-84.878.4172.7-66.1178.5-176.71740108.4T154T154-K156 PolarHBondContact O-N 3.06Å; T154-K156 VanDerWaalsContact O-N 3.14Å
157S44Very low53.3Low46 Ų4695.7 Ų95.732%0.32252%0.516SS..  trans-53.7144.2165.8-1750000109.6D155 S159 G160 T161D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.68Å; D155-S157 VanDerWaalsContact O-N 3.11Å; S157-S159 WeakPolarHBondContact CB-OG 3.17Å; S157-S159 PolarHBondContact O-N 3.36Å; S157-S159 VanDerWaalsContact O-N 3.11Å; S157-S159 PolarHBondContact OG-N 2.89Å; S157-S159 PolarHBondContact OG-OG 3.01Å; S157-G160 PolarHBondContact O-N 3.3Å; S157-T161 WeakPolarHBondContact CB-O 3.38Å
158S54.3Low51.7Low136 Ų13696.1 Ų96.195%0.95152%0.522SS*.THydrogen-bonded Turntrans-60-18.4172.648.70000112.9G160S158-G160 VanDerWaalsContact C-N 3.35Å
159S50.8Low51Low79 Ų7990.3 Ų90.355%0.55250%0.497SS*.THydrogen-bonded Turntrans-83.22.9171.860.10000115.1S157 T161S157-S159 WeakPolarHBondContact CB-OG 3.17Å; S157-S159 PolarHBondContact O-N 3.36Å; S157-S159 VanDerWaalsContact O-N 3.11Å; S157-S159 PolarHBondContact OG-N 2.89Å; S157-S159 PolarHBondContact OG-OG 3.01Å; S159-T161 PolarHBondContact O-N 3.16Å; S159-T161 PolarHBondContact OG-OG1 3.31Å
160G45.9Very low49.9Very low64 Ų6493.2 Ų93.266%0.6651%0.514SS*.  trans71.4-7.9-179.800000115.9S157 S158 K162S157-G160 PolarHBondContact O-N 3.3Å; S158-G160 VanDerWaalsContact C-N 3.35Å; G160-K162 PolarHBondContact O-N 3.34Å
161T45.3Very low48.5Very low81 Ų8192.7 Ų92.750%0.49752%0.519SS..  trans-72.1125.3174.546.50000110.7S157 S159 T163S157-T161 WeakPolarHBondContact CB-O 3.38Å; S159-T161 PolarHBondContact O-N 3.16Å; S159-T161 PolarHBondContact OG-OG1 3.31Å; T161-T163 PolarHBondContact O-N 3.47Å
162K42.5Very low47.3Very low178 Ų17898.1 Ų98.177%0.77456%0.555SS**EExtended strand (participates in β ladder)trans-78107.1177.9-58.7173.6-173.4173.30109G160G160-K162 PolarHBondContact O-N 3.34Å
163T46.1Very low46.1Very low68 Ų6897.4 Ų97.442%0.41756%0.561SS.*EExtended strand (participates in β ladder)trans-100.2125.5172.551.90000110.2D155 T161D155-T163 WeakPolarHBondContact CB-O 3.33Å; D155-T163 WeakPolarHBondContact CB-OG1 3.28Å; D155-T163 PolarHBondContact N-O 3.26Å; T161-T163 PolarHBondContact O-N 3.47Å
164T41.3Very low45.5Very low99 Ų99102.5 Ų102.561%0.60759%0.594SS**  trans-91.6101.8177.247.40000109.7I152 Q166I152-T164 HydrophobicContact CG2-CG2 4.16Å; T164-Q166 PolarHBondContact O-N 3.09Å
165K51.7Low44.8Very low107 Ų107107 Ų10747%0.46561%0.605SS.*  trans-80.397.1171.3-70-159.7-179.885.20109.7D155 Y167D155-K165 IonicContact OD2-NZ 2.59Å; D155-K165 PolarHBondContact OD2-NZ 2.72Å; K165-Y167 HydrophobicContact CB-CD2 4.4Å; K165-Y167 HydrophobicContact CB-CE2 3.81Å; K165-Y167 WeakPolarHBondContact O-CD2 3.29Å; K165-Y167 PolarHBondContact O-N 2.94Å
166Q48.8Very low44.4Very low128 Ų128112.3 Ų112.360%0.59864%0.639SS**BIsolated β-bridgetrans-73.2105.1175.2-169.9-172.80.600110.1T164 L168T164-Q166 PolarHBondContact O-N 3.09Å; Q166-L168 HydrophobicContact CG-CB 4.09Å; Q166-L168 PolarHBondContact O-N 2.75Å
167Y56.5Low43.6Very low88 Ų88111 Ų11135%0.34564%0.636SS.*  trans-77.260.4173.1-71.7-90000111.4L139 I151 T153 K165 N169L139-Y167 HydrophobicContact CD1-CD1 4.28Å; I151-Y167 HydrophobicContact CB-CD2 4.18Å; I151-Y167 HydrophobicContact CD1-CD2 4.4Å; I151-Y167 HydrophobicContact CD1-CG 4.44Å; I151-Y167 HydrophobicContact CG2-CD2 4.48Å; T153-Y167 HydrophobicContact CG2-CE2 4.23Å; K165-Y167 HydrophobicContact CB-CD2 4.4Å; K165-Y167 HydrophobicContact CB-CE2 3.81Å; K165-Y167 WeakPolarHBondContact O-CD2 3.29Å; K165-Y167 PolarHBondContact O-N 2.94Å; Y167-N169 PolarHBondContact O-N 2.93Å; Y167-N169 PolarHBondContact O-ND2 3.5Å; Y167-N169 VanDerWaalsContact O-ND2 3.16Å
168L41Very low43.1Very low109 Ų109115.8 Ų115.857%0.57166%0.658SS**  trans-73.4113.7-179.5-174.166.9000110.6Q166 V170Q166-L168 HydrophobicContact CG-CB 4.09Å; Q166-L168 PolarHBondContact O-N 2.75Å; L168-V170 HydrophobicContact CD2-CG2 3.61Å; L168-V170 HydrophobicContact CG-CG2 3.74Å; L168-V170 PolarHBondContact O-N 3.22Å
169N46.3Very low42.1Very low65 Ų65118.5 Ų118.535%0.34865%0.647SS.*  trans-92.569.1178.6-77.4-82.6000111.3K143 Y167K143-N169 HydrophobicContact CD-CB 3.8Å; K143-N169 VanDerWaalsContact CD-CG 3.47Å; K143-N169 VanDerWaalsContact CD-OD1 3.31Å; K143-N169 WeakPolarHBondContact CD-OD1 3.29Å; K143-N169 VanDerWaalsContact CE-OD1 3.24Å; K143-N169 WeakPolarHBondContact CE-OD1 3.42Å; K143-N169 HydrophobicContact CG-CB 4.1Å; K143-N169 PolarHBondContact NZ-OD1 2.76Å; Y167-N169 PolarHBondContact O-N 2.93Å; Y167-N169 PolarHBondContact O-ND2 3.5Å; Y167-N169 VanDerWaalsContact O-ND2 3.16Å
170V41.5Very low41.1Very low104 Ų104122.2 Ų122.263%0.6366%0.656SS**  trans-62.3131166.8-171.70000108.4L168L168-V170 HydrophobicContact CD2-CG2 3.61Å; L168-V170 HydrophobicContact CG-CG2 3.74Å; L168-V170 PolarHBondContact O-N 3.22Å
171P33.2Very low40.3Very low103 Ų103124.4 Ų124.467%0.66966%0.661SS**  trans-64.9140.9173.727.3-34.2000110.2S173P171-S173 PolarHBondContact O-N 2.75Å; P171-S173 VanDerWaalsContact O-N 3.1Å
172P38.7Very low40.2Very low129 Ų129126 Ų12684%0.83867%0.673SS**  trans-66.7113.2-178.326.9-33.8000110.7
173S35.4Very low40.2Very low110 Ų110123.1 Ų123.177%0.76967%0.672SS**  trans-67.1141.5169.146.20000110.3P171 K175P171-S173 PolarHBondContact O-N 2.75Å; P171-S173 VanDerWaalsContact O-N 3.1Å; S173-K175 PolarHBondContact O-N 2.76Å
174P43.9Very low39.8Very low121 Ų121127.1 Ų127.179%0.78669%0.69SS**  trans-77.5125.7-171.729.5-34.3000112.2
175K34.7Very low39.1Very low191 Ų191133.2 Ų133.283%0.8370%0.704SS**  trans38.798.7154.7-61.2-172.9177.2-168.40117.2S173S173-K175 PolarHBondContact O-N 2.76Å
176V37.9Very low38.3Very low151 Ų151132.4 Ų132.492%0.91572%0.717SS**  trans-120.5116.6138-177.20000107.1
177E36.7Very low37.4Very low175 Ų175131.6 Ų131.682%0.81873%0.726SS**  trans-114.590.4-179.2177.9172.1-150.700106.8
178D32.4Very low36.6Very low145 Ų145133.9 Ų133.978%0.77575%0.751SS**  trans-160.1159154-124.5-36.1000115
179R32.7Very low36.2Very low194 Ų194133.1 Ų133.173%0.73276%0.755SS**  trans-64.6157.3-160.3-68.7165.8139.5-145.5-6.1119.5
180H29.5Very low35.6Very low157 Ų157137.4 Ų137.473%0.72778%0.778SS**  trans78.2133148.3-56.7-31.1000120.4
181S29.6Very low35.5Very low110 Ų110139.9 Ų139.977%0.76979%0.786SS**  trans-87.7176.5158.458.70000110
182P44Very low35.5Very low115 Ų115144 Ų14475%0.74780%0.796SS**  cis-129.6-148.35.746.5-28.7000110.4
183P43.2Very low35.3Very low117 Ų117145.8 Ų145.876%0.7680%0.798SS**  cis-129.8-169.4-15.940.7-22.6000114.6
184L36.4Very low34.9Very low152 Ų152150 Ų15080%0.79680%0.802SS**  trans-51.5147.9168.5-55.7157.7000113.9
185Y27.9Very low34.3Very low226 Ų226149.1 Ų149.189%0.88680%0.799SS**  180162.2111.8-115.2-89000114.6
186A33.6Very low34.2Very low90 Ų90146.3 Ų146.374%0.74480%0.8SS**  trans65.2121.3156.400000121.3
187S29.9Very low33.7Very low112 Ų112142.4 Ų142.478%0.78379%0.791SS**  trans-79.8147.7157.4-52.90000110.9
188P39.2Very low33.3Very low135 Ų135141.7 Ų141.788%0.87779%0.792SS**  trans-88.9114.2169.933.1-29.7000111.4
189S33.2Very low33.1Very low93 Ų93141.7 Ų141.765%0.6579%0.792SS**  trans-118.3153.8161.6-610000109.4
190D34.1Very low32.9Very low156 Ų156137.5 Ų137.583%0.83479%0.792SS**  trans55.893.2156.9-46.8-34.8000118.1
191I40Very low33.5Very low156 Ų156134.9 Ų134.980%0.879%0.789SS**  trans-130.396153.9-57-179.4000108.9L193I191-L193 HydrophobicContact CG2-CG 4.24Å
192E31.9Very low33.2Very low190 Ų190137.3 Ų137.389%0.88879%0.793SS**  trans-79.4133155.7-66.3-168.6142.800109.2
193L34.2Very low32.5Very low165 Ų165138 Ų13886%0.86480%0.795SS**  trans-139.2150159.6-81.9-177.2000111.8I191I191-L193 HydrophobicContact CG2-CG 4.24Å
194K27.4Very low31.8Very low198 Ų198140.8 Ų140.886%0.86180%0.798SS**  trans-79.4158.8-165.8-138.679.4171-176.50113
195S31.2Very low31.6Very low104 Ų104142.1 Ų142.173%0.72780%0.797SS**  trans-75.6164.6170.552.50000113.5
196P33.5Very low31.6Very low131 Ų131138.8 Ų138.885%0.85179%0.79SS**  trans-112165.8133.736.8-31.3000110.6
197G27.1Very low31.6Very low70 Ų70141.6 Ų141.672%0.72279%0.792SS**  trans-165.117317300000111.6
198L28.2Very low31.6Very low159 Ų159143.4 Ų143.483%0.83279%0.793SS**  trans-158.9155.3165.5-147.366.5000112.1
199D27.9Very low31.1Very low146 Ų146144.6 Ų144.678%0.78179%0.785SS**  trans70.5162.3165.9-59-43.3000120.1
200S29.1Very low30.9Very low105 Ų105148.1 Ų148.173%0.73479%0.789SS**  trans-157.8-166.4-139.268.40000111.3
201P41.2Very low30.5Very low103 Ų103144.6 Ų144.667%0.66978%0.777SS**  cis-137.4-162.4-530.8-5.7000114.7
202L23.7Very low29.9Very low160 Ų160144.7 Ų144.784%0.83878%0.778SS**  trans79.5140.2164.2-55.6167.2000116.6
203T29.9Very low29.8Very low131 Ų131143.8 Ų143.880%0.80477%0.774SS**  cis-132.5170.73.547.90000113.1
204E28.1Very low29.5Very low174 Ų174140.8 Ų140.881%0.81377%0.772SS**  trans-88.3154.4-166.8-55.6144.6146.500116.9
205K32.3Very low29.4Very low180 Ų180135 Ų13578%0.78377%0.769SS**  trans165.8126.2134.1-89.1160.7-176.1-177.30109.6
206E29.1Very low29.4Very low156 Ų156139.3 Ų139.373%0.72978%0.777SS**  63.6119.764.9-63.7179.7158.600111
207D31.6Very low30.2Very low149 Ų149139 Ų13980%0.79778%0.775SS**  cis-144174.913.4-86.2-38.3000114.4
208D30.9Very low30.1Very low150 Ų150140.9 Ų140.980%0.80278%0.777SS**  trans-68.6171.5-178.7-72.9-57.7000116.6
209F28.1Very low29.8Very low161 Ų161138.2 Ų138.271%0.70677%0.772SS**  135.698.6111.9-148.5-96.7000117.4
210F29.4Very low29.6Very low166 Ų166135.7 Ų135.773%0.72876%0.764SS**  trans66.5168.7149.4-78.9-124.4000119.9
211S25.8Very low29.5Very low83 Ų83137.2 Ų137.258%0.5876%0.764SS**  cis-179.9127.4-44.9-93.10000111
212L28.3Very low28.9Very low157 Ų157138.7 Ų138.782%0.82277%0.772SS**  trans61.1178.6155.3-54.1175.9000117.5
213Q28.8Very low29Very low172 Ų172135.5 Ų135.580%0.80476%0.763SS**  -154162.7-57.7-176165.1200109.9
214A28.2Very low29Very low101 Ų101138.7 Ų138.784%0.83577%0.765SS**  trans-28.5148.1-177.100000121.8
215G24.7Very low28.9Very low76 Ų76134.7 Ų134.778%0.78476%0.762SS**  trans172.6131.1159.900000116.5
216H32.7Very low28.6Very low196 Ų196132.2 Ų132.291%0.90776%0.762SS**  trans-102.1-174.5162.7-56.4-74.4000109
217P49.8Very low28.5Very low124 Ų124131.6 Ų131.681%0.80576%0.764SS**  cis-139.2-165.7-1.343.7-24.4000115.3
218S24.7Very low28.5Very low109 Ų109132.3 Ų132.376%0.76276%0.762SS**  trans128.2114.6142.7-168.70000118.9
219S22.2Very low28.7Very low103 Ų103130.8 Ų130.872%0.7276%0.76SS**  11.1141.5128.4-160.10000119.7
220C23.5Very low28.7Very low93 Ų93125.4 Ų125.463%0.62875%0.751SS**  cis-164.8163.1-6.147.40000108.4
221N25.6Very low28.9Very low137 Ų137122.8 Ų122.873%0.73375%0.753SS**  169.9170.482.1-113.8-31.7000112.5
222T29Very low29.3Very low134 Ų134125.1 Ų125.182%0.82277%0.766SS**  trans72.514817077.70000118.5
223S27.1Very low29.2Very low93 Ų93123.4 Ų123.465%0.6576%0.762SS**  cis-163.5156.7-3164.40000112.5
224K28.8Very low29.1Very low198 Ų198125.9 Ų125.986%0.86176%0.764SS**  trans78.8150.9165.6-58.3172-178.4173.80118.3
225A26.6Very low29.1Very low90 Ų90129.7 Ų129.774%0.74476%0.762SS**  trans5677.7178.100000115.6
226V26.8Very low29.4Very low128 Ų128132.6 Ų132.678%0.77676%0.764SS**  57.7122.170.7-173.50000113.2
227N25.4Very low29.4Very low144 Ų144128.6 Ų128.677%0.7776%0.758SS**  cis-169.3140.7-27.8-110.23.9000107.8
228E31.7Very low28.5Very low163 Ų163130 Ų13076%0.76276%0.759SS**  trans-59.6151.5155.1-106.6-89.4153.200109.9G230E228-G230 PolarHBondContact OE2-N 2.77Å
229P34.7Very low29Very low118 Ų118133.3 Ų133.377%0.76677%0.767SS**  -148.2142.510337.2-21.5000115.9
230G28.9Very low29.6Very low49 Ų49138.4 Ų138.451%0.50578%0.776SS.*  trans-69.2164.1171.600000116.3E228E228-G230 PolarHBondContact OE2-N 2.77Å
231S32.7Very low30.1Very low110 Ų110144.1 Ų144.177%0.76979%0.785SS**  trans69.6132.7175.781.20000117.8
232P34.6Very low30.4Very low132 Ų132142 Ų14286%0.85779%0.787SS**  trans-109.2130.4153.334.1-25.9000110.9
233T26.7Very low30.7Very low121 Ų121146 Ų14674%0.74279%0.786SS**  trans-120.4160.2161.960.80000110.7
234R26.8Very low31.2Very low224 Ų224149.6 Ų149.685%0.84580%0.798SS**  trans88143.2169-61.4179.8147.7178.8-5118.9
235K28.5Very low31.7Very low181 Ų181145.3 Ų145.379%0.78779%0.79SS**  trans64.294.5162.7-66.5169.7-178.1-177.60114.5
236V31.3Very low32.2Very low137 Ų137149.5 Ų149.583%0.8379%0.794SS**  54.982.760.9-166.70000111.3
237S31.5Very low32.7Very low113 Ų113151.3 Ų151.379%0.7980%0.798SS**  trans-113.9151.4160.156.20000108.8
238N32.3Very low33.4Very low153 Ų153153.4 Ų153.482%0.81880%0.801SS**  trans-88.5122.1-160.4-65.1-63.3000114
239L34.9Very low33.4Very low178 Ų178156.8 Ų156.893%0.93281%0.806SS**  trans-124.7148.2150.6-74.8177.9000110.4
240K34.4Very low33.4Very low210 Ų210158.3 Ų158.391%0.91381%0.807SS**  trans-84.3136.5-155.7-65.1173.6-177.8172.60113.1
241R34Very low33.6Very low214 Ų214164.8 Ų164.881%0.80883%0.825SS**  trans-67.2124.3172.2172.5-170.8-73.8178-5.4111.8R243R241-R243 HydrophobicContact CG-CG 4.35Å
242A32.2Very low33.9Very low93 Ų93165 Ų16577%0.76983%0.826SS**  trans-141100155.600000107.4
243R35.3Very low34.5Very low216 Ų216166.8 Ų166.882%0.81582%0.823SS**  44.586.975.1-77.3-168.8169.4-178.1-2.4112.7R241R241-R243 HydrophobicContact CG-CG 4.35Å
244L37Very low35.6Very low170 Ų170167 Ų16789%0.8983%0.826SS**PPolyproline II helixtrans-65.3140.6157.5-72169.5000109.7
245P39Very low36.1Very low107 Ų107168.4 Ų168.470%0.69583%0.832SS**PPolyproline II helixtrans-85.7147.6-175.733.3-34.9000113.1
246Q38.1Very low36.7Very low179 Ų179163.3 Ų163.384%0.83683%0.83SS**PPolyproline II helixtrans-67.7139.7156-67.7178.4-15.800109.4
247L36.9Very low37Very low165 Ų165165.1 Ų165.186%0.86484%0.835SS**  trans-130.9109.6161.4-78.1179.1000111.2
248K39.2Very low37.3Very low188 Ų188167.4 Ų167.482%0.81784%0.836SS**  trans-78.5126.6161.1-63.4179.3178.4-177.30109.2
249R32.2Very low37.6Very low234 Ų234164.2 Ų164.288%0.88383%0.831SS**  trans-179.6156.9145.9-108.1179.1-106.2-144.2-7110.3
250L34Very low38.1Very low150 Ų150161.5 Ų161.579%0.78582%0.824SS**  cis-122.3151.9-0.7-106.1167.1000109.9
251Q33.7Very low38.3Very low186 Ų186156.4 Ų156.487%0.86982%0.815SS**PPolyproline II helixtrans-85.5130.4158.5-69.5-174.6-67.400108.5
252S39.2Very low38.3Very low114 Ų114152.7 Ų152.780%0.79782%0.816SS**PPolyproline II helixtrans-84.1141.9150.451.50000108.4
253E47Very low38.6Very low169 Ų169156.3 Ų156.379%0.7982%0.821SS**PPolyproline II helixtrans-70.7142.1-173.4-61.4-178.4146.100112.6W255E253-W255 PolarHBondContact O-N 2.97Å
254P50.3Low38.3Very low125 Ų125150.6 Ų150.681%0.81282%0.821SS**PPolyproline II helixtrans-76.8117.8173.931-32.5000110.6
255W37Very low38Very low254 Ų254147.4 Ų147.496%0.96282%0.819SS**PPolyproline II helixtrans-75.5123.9168.3-74.769.8000109.9E253E253-W255 PolarHBondContact O-N 2.97Å
256G42.1Very low37.7Very low74 Ų74147 Ų14776%0.76382%0.818SS**  trans128.363.4165.100000116.8
257L36.4Very low37.4Very low176 Ų176143.8 Ų143.892%0.92181%0.811SS**  trans-90.7122.7149.7-86.7172.5000109.1
258I37.5Very low37Very low161 Ų161145.8 Ų145.883%0.82681%0.807SS**  trans-113.7136.3161.4-65178.9000106.4
259A39.6Very low36.5Very low85 Ų85143.5 Ų143.570%0.70280%0.799SS**  trans-81.1144.4-158.400000114.8
260P45.4Very low36.3Very low121 Ų121138.7 Ų138.779%0.78679%0.791SS**  trans-88.2124.9157.333.6-28.5000110.2
261S38.3Very low36.3Very low104 Ų104139.5 Ų139.573%0.72779%0.791SS**  trans-165.2148.4172-800000111.7
262V33.5Very low36.1Very low136 Ų136136.5 Ų136.582%0.82479%0.785SS**  trans68.4124.9180-1660000112.2
263L38.3Very low35.7Very low168 Ų168142.5 Ų142.588%0.8879%0.79SS**  cis-102.1168.117.9-73.9162.8000115.3
264A30.4Very low34.7Very low97 Ų97137.7 Ų137.780%0.80279%0.786SS**  trans-127.6-17817100000110.2
265A30.5Very low33.8Very low103 Ų103136.6 Ų136.685%0.85179%0.787SS**  trans98.7136.8-171.900000113.2
266S31.2Very low33.3Very low97 Ų97128.8 Ų128.868%0.67877%0.772SS**  cis-147.5159.75.8-168.70000113.1
267T31.9Very low32.8Very low112 Ų112130.7 Ų130.769%0.68777%0.768SS**  trans36.4108.6150.744.40000119.1
268R28.8Very low32.5Very low208 Ų208129.4 Ų129.479%0.78576%0.758SS**  85.2122.772.7-89.7-169.2176.6-114.66.5114.3
269Q28.8Very low32.4Very low140 Ų140127.9 Ų127.965%0.65475%0.751SS**  trans65.6154.9150.5-72171.4-102.900116.8
270D29.2Very low32.1Very low132 Ų132132 Ų13271%0.70676%0.756SS**  cis-143.5176.40.5-131-42000112.3
271E32.3Very low31.6Very low168 Ų168130.8 Ų130.879%0.78575%0.746SS**  trans-76.3150.4172.7-64.5-169118.700113.3
272T31.4Very low31.4Very low122 Ų122134.2 Ų134.275%0.74876%0.755SS**  164.4156118.438.50000113.5
273R30.4Very low31.4Very low241 Ų241136.1 Ų136.191%0.90975%0.752SS**  trans23.7140.5148.7-54.3172.4-172.2-168.11.6119.1
274G26.3Very low31.1Very low67 Ų67132.8 Ų132.869%0.69174%0.742SS**  cis122.5133.213.500000110.7
275A29.6Very low31.3Very low102 Ų102136 Ų13684%0.84375%0.745SS**  trans64.1166.8-167.200000113.6
276S27.9Very low31.5Very low91 Ų91135.2 Ų135.264%0.63673%0.733SS**  cis-171.8167.2-3858.50000106.8
277T31.3Very low31.6Very low113 Ų113137.2 Ų137.269%0.69374%0.736SS**  trans60.7160.8165.958.70000115
278E30.9Very low31.6Very low149 Ų149138.1 Ų138.170%0.69674%0.741SS**  cis-154.8173.7-9.942.5-122.998.100111.3
279N33.8Very low31.7Very low129 Ų129132.3 Ų132.369%0.6973%0.732SS**  trans67.3105.3147.2-65.4-10.4000122.7
280E33.9Very low32Very low171 Ų171135.3 Ų135.380%0.79974%0.743SS**  75.3151.5108.1-125.2-163.7148.300122.9
281V34Very low33.1Very low96 Ų96134.4 Ų134.458%0.58275%0.745SS**  trans47.8103.6164.8-163.90000118.8K283V281-K283 HydrophobicContact CG1-CB 4.14Å; V281-K283 HydrophobicContact CG1-CG 4.13Å
282I34.4Very low33.1Very low177 Ų177134.3 Ų134.391%0.90874%0.742SS**  trans-107.3104.9144.3-60.7179.5000108.5
283K33.9Very low33.1Very low176 Ų176139.1 Ų139.177%0.76575%0.746SS**  trans-111.6129.7162.6-88.6-177175.9175.40108.8V281V281-K283 HydrophobicContact CG1-CB 4.14Å; V281-K283 HydrophobicContact CG1-CG 4.13Å
284S31.9Very low33.1Very low97 Ų97130.7 Ų130.768%0.67874%0.735SS**  trans21.6132.5147.860.20000119.8
285I34Very low34.1Very low166 Ų166133 Ų13385%0.85174%0.738SS**  -176.9150.1110.1-93.7154.4000109.8
286S35.7Very low34.5Very low86 Ų86135.9 Ų135.960%0.60174%0.738SS**  trans-99.7169.5173.448.40000112.6
287D32.1Very low34.8Very low139 Ų139135.7 Ų135.774%0.74374%0.737SS**  trans104.2154.7149.3-54.9-54.7000121.8
288V32.5Very low34.8Very low130 Ų130140.4 Ų140.479%0.78874%0.741SS**  trans66.781.5157.7-70.70000123.7
289S30.6Very low35.1Very low87 Ų87140 Ų14061%0.60875%0.75SS**  68.8122.3105.472.70000125.3
290F36.7Very low35.1Very low203 Ų203140.1 Ų140.189%0.8975%0.75SS**  trans63.4175141.1-57.7-44.9000119.5
291P51.8Low35Very low113 Ų113137.1 Ų137.173%0.73475%0.748SS**  cis-131.9-173.6-5.731.9-9.6000116.2
292K32.6Very low35.2Very low165 Ų165140 Ų14072%0.71776%0.759SS**  130117.6116.3-153.1164-167.9169.90119.2
293R29.9Very low35.1Very low223 Ų223136.6 Ų136.684%0.84274%0.742SS**  trans75.4127.3150.7-79.7176.9-176.4175.2-1.3122.5
294G31.4Very low34.8Very low65 Ų65134 Ų13467%0.6775%0.746SS**  trans-88.7-142.6143.800000110.8
295P47.5Very low35Very low116 Ų116136.4 Ų136.475%0.75375%0.745SS**  cis-149.1-164.72340.7-17.4000116.6
296L36.9Very low34.7Very low161 Ų161135.2 Ų135.284%0.84374%0.74SS**  trans71.2151.2158.6-63.4174.4000118.7
297S33.9Very low35.5Very low88 Ų88136.2 Ų136.262%0.61574%0.744SS**  cis-169.7152.1-14.852.40000115.1
298R33.1Very low35.3Very low211 Ų211135 Ų13580%0.79674%0.742SS**  trans52129.1138.6-74.8174.4149.1162.1-5.4122.1
299T36.9Very low35.2Very low141 Ų141136.6 Ų136.687%0.86575%0.745SS**  -133.7159.2114.941.60000109.7
300N33.2Very low35.1Very low131 Ų131140.9 Ų140.970%0.70175%0.753SS**  trans-100.6173.1176-53.3-25000109.4
301S32.3Very low34.7Very low109 Ų109138.7 Ų138.776%0.76275%0.746SS**  151.3149.686.6-166.70000108.2
302I37.3Very low33.6Very low156 Ų156138.7 Ų138.780%0.874%0.744SS**  cis-158.1154.4-24.6-173.5160.5000110.7
303D32.2Very low33.4Very low105 Ų105136.6 Ų136.656%0.56174%0.744SS**  trans-35.2156.9169.2-166.917.8000118.9K305D303-K305 IonicContact OD1-NZ 3.75Å; D303-K305 IonicContact OD2-NZ 2.8Å; D303-K305 PolarHBondContact OD2-NZ 3.03Å
304S28.6Very low33.2Very low121 Ų121132.5 Ų132.585%0.84674%0.744SS**  trans-164.3140.3158.8-77.10000110.6
305K35.3Very low33.2Very low149 Ų149136.9 Ų136.965%0.64875%0.747SS**  trans-122.3151-171.2-69.5-174.5174.769.60113.9D303D303-K305 IonicContact OD1-NZ 3.75Å; D303-K305 IonicContact OD2-NZ 2.8Å; D303-K305 PolarHBondContact OD2-NZ 3.03Å
306D28.6Very low32.2Very low140 Ų140140.7 Ų140.775%0.74976%0.755SS**  30155.5129.4-47.9-27000121.5
307P52.5Low31.8Very low107 Ų107138 Ų13870%0.69575%0.745SS**  cis-141.4-165.5-29.135.7-14.1000114.2
308T27.7Very low31.5Very low114 Ų114140.4 Ų140.470%0.69975%0.75SS**  trans64.8121.5163.565.70000121.1
309L30.2Very low31.2Very low163 Ų163138.3 Ų138.385%0.85375%0.747SS**  -176.6166.5100.5-94.9169.9000112.3
310F27.9Very low30.8Very low178 Ų178138.9 Ų138.978%0.78174%0.743SS**  trans-103.2-177.6-171.5-68.5-91.5000111.3
311H29.1Very low31.2Very low157 Ų157138 Ų13873%0.72774%0.744SS**  -176.7134.751.2-131.8-75.5000115.7
312T28.8Very low30.8Very low113 Ų113138.9 Ų138.969%0.69375%0.745SS**  trans56.9170.1146.841.10000120.9
313V27.3Very low30.3Very low120 Ų120136.6 Ų136.673%0.72774%0.743SS**  cis-134.8167.412.3-123.20000109.6
314T27.3Very low30.3Very low137 Ų137137 Ų13784%0.8475%0.754SS**  cis-147.4153.333.8-24.10000112.8
315E29.8Very low30.3Very low158 Ų158135.7 Ų135.774%0.73875%0.75SS**  trans-85.4171.7172.2-50.5179.611100113.4
316Q26.6Very low30.9Very low196 Ų196134.5 Ų134.592%0.91676%0.758SS**  -159.4159.8112.5-111.7178.815.100114.4
317V28.4Very low31.1Very low105 Ų105132.4 Ų132.464%0.63676%0.76SS**  trans-146.5129.3-158.6163.10000112.6
318L29.2Very low30.1Very low137 Ų137131.3 Ų131.372%0.71776%0.755SS**  trans68.9144.2156.7-75.1169.1000123.6
319K25.4Very low30.1Very low168 Ų168136.5 Ų136.573%0.7376%0.762SS**  trans75.2119.9155.6-65148.7-174.71740117.3
320I28.5Very low30.1Very low153 Ų153136.8 Ų136.879%0.78576%0.756SS**  67.6132.264-63.2169.1000111.2
321P43.2Very low30.3Very low111 Ų111132.5 Ų132.572%0.72175%0.753SS**  cis-136.4-161.214.224.73000116.2
322V24Very low30.2Very low128 Ų128129.8 Ų129.878%0.77676%0.758SS**  trans100.5107.6148.4-170.80000121.1
323S26.7Very low30.4Very low108 Ų108134.9 Ų134.976%0.75577%0.766SS**  trans54.2149.7132.4-150.10000125.5
324S30.3Very low30.6Very low113 Ų113135.9 Ų135.979%0.7976%0.763SS**  trans95.3115.8148.474.70000120.5
325A28.9Very low30.7Very low94 Ų94137 Ų13778%0.77776%0.756SS**  trans-102.2163.2144.500000107.6
326P47.5Very low30.6Very low125 Ų125132.7 Ų132.781%0.81276%0.755SS**  -135.6167.177.536.7-21.2000112.6
327A33.1Very low30.9Very low96 Ų96131.6 Ų131.679%0.79375%0.75SS**  155.1163.785.500000107.1
328S31.2Very low31.2Very low83 Ų83132.7 Ų132.758%0.5876%0.757SS**  cis-168.7122.3-11.6153.90000110.7
329W28.8Very low31.9Very low223 Ų223131.9 Ų131.985%0.84576%0.759SS**  trans65.6161150.8-58.89000117.4
330K30.1Very low32.1Very low169 Ų169132.4 Ų132.474%0.73576%0.764SS**  cis-152.4130.3-21.4-108176.4177.7179.20104.2
331A32.1Very low32.9Very low88 Ų88131.6 Ų131.673%0.72777%0.769SS**  70.7117.968.300000115.4
332A26.6Very low32.3Very low100 Ų100137.2 Ų137.283%0.82678%0.776SS**  trans-135.9146.2160.100000108.5
333Y33.4Very low32.9Very low221 Ų221139 Ų13987%0.86778%0.78SS**  trans-96.2170.3-173.1-85-110.4000111.2
334E32Very low33.1Very low141 Ų141138.1 Ų138.166%0.65978%0.78SS**  cis-149-16523.1-141.5-151.8156.200109.3
335K27.8Very low33Very low159 Ų159143.6 Ų143.669%0.69178%0.783SS**  cis-159.4124.98.7-175.9170.6-150.973.10112.8
336G28.4Very low33Very low69 Ų69151.2 Ų151.271%0.71179%0.791SS**  trans66.5160.7152.300000121.7
337Q32.4Very low32.1Very low173 Ų173148.8 Ų148.881%0.80879%0.789SS**  cis-165.9109.9-22.8-153.1163.16.400114.9
338T34.8Very low31.8Very low128 Ų128150.6 Ų150.679%0.78579%0.79SS**  trans67.8175.1149.863.60000120.9
339P45Very low31.7Very low119 Ų119154.7 Ų154.777%0.77381%0.805SS**  -135.7-174.3-69.542.9-26.3000116.7
340H29.2Very low32.8Very low179 Ų179149.2 Ų149.283%0.82980%0.798SS**  trans-93.4178.2-178.9-51.7-72.3000115.8
341P45.5Very low32.7Very low136 Ų136147 Ų14788%0.88380%0.799SS**  -141.7-159.693.235.2-16000116.6
342R30.1Very low32.6Very low229 Ų229149.1 Ų149.186%0.86480%0.798SS**  trans-141.2175-156.9-87.3-174.2170.7-170.2-1.1116.9
343L37.3Very low32.7Very low165 Ų165152.5 Ų152.586%0.86480%0.797SS**  trans99.8149.2159.3-58.1179.9000116.1
344A29.5Very low32.4Very low91 Ų91149.3 Ų149.375%0.75279%0.79SS**  cis-159.1-148.2-14.600000108.6
345R29.1Very low32.2Very low228 Ų228150.7 Ų150.786%0.8679%0.793SS**  cis-171.21249-170.9-173.3-169.5-160.35.8112.3
346R29.4Very low32.1Very low253 Ų253149.1 Ų149.196%0.95580%0.801SS**  trans62.6164.7176-73.3-175.4171.2-154.8-2.3115.8
347G27.5Very low32Very low74 Ų74149.6 Ų149.676%0.76381%0.806SS**  cis-172.1172.1-2.600000112
348T28Very low31.8Very low134 Ų134150.6 Ų150.682%0.82281%0.813SS**  trans-109.6142.7-165.650.40000116.1
349L29.1Very low31.6Very low169 Ų169148.1 Ų148.189%0.88581%0.812SS**  171.7159.1118.8-91.5172.9000112.5
350P51.2Low32.1Very low109 Ų109148.5 Ų148.571%0.70882%0.815SS**  trans-129.7-166.4-179.731.1-7.6000114.7
351V28.8Very low32.2Very low123 Ų123146 Ų14675%0.74582%0.818SS**  trans98.9138.3155.5-178.60000119.4
352D29.9Very low31.3Very low131 Ų131142.9 Ų142.970%0.70181%0.81SS**  trans94.4139.8148.9-100.39.8000126.5
353Q29.3Very low32.2Very low172 Ų172137.5 Ų137.580%0.80481%0.805SS**  trans106.6155.2131.8-92170.145.700124.6
354E25.3Very low32.1Very low154 Ų154134.9 Ų134.972%0.7280%0.8SS**  trans-94.5178-166.3-47179.4131.600114
355K28.7Very low32.2Very low169 Ų169134.5 Ų134.574%0.73580%0.797SS**  119.3122.7123.9-130.5177.9-153.587.20118.2
356C25.2Very low32.3Very low127 Ų127131 Ų13186%0.85880%0.795SS**  trans6.6140.5157.3-51.60000122.7
357G26.7Very low32.6Very low78 Ų78128.2 Ų128.280%0.80479%0.789SS**  trans-175.5129.5153.900000113.3
358M28.6Very low32.9Very low195 Ų195132.6 Ų132.696%0.96179%0.79SS**  trans-95.1151.6176.5-63.690.774.400112.6
359G29.5Very low33.9Very low75 Ų75132.2 Ų132.277%0.77379%0.79SS**  trans169114.3166.400000114.3
360P57.2Low34.2Very low127 Ų127127.2 Ų127.283%0.82577%0.773SS**  trans-108152.2-176.138.3-32.7000114.9
361S29.9Very low33.4Very low128 Ų128127.5 Ų127.590%0.89578%0.778SS**  trans-168157.9152.333.70000111.4
362G27.2Very low33.7Very low70 Ų70129.4 Ų129.472%0.72278%0.783SS**  trans-92.9-145.7178.300000113
363P50Low34Very low115 Ų115130.3 Ų130.375%0.74778%0.78SS**  cis-141.3175.414.141.2-22.6000117.3
364S34Very low34Very low110 Ų110131.3 Ų131.377%0.76978%0.777SS**  trans61.8154.814664.10000121.1
365A31.9Very low34.5Very low83 Ų83129.5 Ų129.569%0.68677%0.772SS**  cis-173.1162.7-23.900000108.8
366L31.4Very low34.4Very low156 Ų156128 Ų12882%0.81777%0.768SS**  162.9112.9125.6-86.9168.7000114.8
367K35.6Very low34.8Very low193 Ų193128.3 Ų128.384%0.83976%0.761SS**  trans47.7119.3136.1-68.1-172175.8-174.30123.6
368E33Very low35.3Very low166 Ų166131.4 Ų131.478%0.77676%0.758SS**  trans-45.6165141.2-119.4179.3-151.700115A370E368-A370 HydrophobicContact CG-CB 4.18Å
369P50.2Low35.6Very low126 Ų126129.4 Ų129.482%0.81875%0.751SS**  -130.5167.559.832.6-15000115.1
370A35Very low35.8Very low65 Ų65137.1 Ų137.154%0.53776%0.759SS.*  cis118.3158.76.100000114.6E368E368-A370 HydrophobicContact CG-CB 4.18Å
371S33.9Very low34.7Very low114 Ų114137.5 Ų137.580%0.79775%0.753SS**  trans72124.2-168.870.60000115.7
372L34.9Very low35.1Very low164 Ų164139.2 Ų139.286%0.85975%0.752SS**  cis85.8148.711.2-61.7172.4000119.6
373K37.2Very low35.5Very low149 Ų149142.5 Ų142.565%0.64875%0.753SS**  trans92.8149.9161.6-59.4-164.4166.5-154.40117.3
374W28.4Very low34.7Very low193 Ų193144.9 Ų144.973%0.73176%0.758SS**  cis-171.7163.1-13.8-105.8-8.3000109.4
375L35.1Very low34.9Very low117 Ų117147.4 Ų147.461%0.61376%0.758SS**  cis-136-100.5-17.5-168.137.4000110.7
376E27.7Very low35.4Very low138 Ų138149.2 Ų149.265%0.64576%0.763SS**  cis-164.2130-19.1-158.375.7-88.100109.7
377N34.1Very low35.4Very low133 Ų133144.7 Ų144.771%0.71175%0.753SS**  trans46.5165.7153.8-75.818.5000124.2
378D36.2Very low35.9Very low142 Ų142141.6 Ų141.676%0.75975%0.753SS**  cis-132.4165.816.8-100.4-43.6000115.5
379L34.5Very low35.7Very low154 Ų154141.2 Ų141.281%0.80676%0.756SS**  trans-111.4149.9169.9-118.573.6000110.4
380Y35.3Very low36.5Very low237 Ų237140.8 Ų140.893%0.92975%0.754SS**  trans-151.2150.7147.2-111.7-75.8000111
381D32.9Very low37Very low134 Ų134142.9 Ų142.972%0.71776%0.762SS**  trans-143.2147.9-168.5174.337.1000109.7
382L39.2Very low36.9Very low164 Ų164144.9 Ų144.986%0.85976%0.763SS**  trans178.3153.2144-100.7165.4000113
383D34.3Very low36.6Very low139 Ų139141.5 Ų141.574%0.74375%0.754SS**  trans-82.6166.7-167.3-139-28.7000115.2
384L33.8Very low36.3Very low165 Ų165141.7 Ų141.786%0.86476%0.76SS**  trans162.3139130-85.9166.8000114.9
385Q39.2Very low36.2Very low164 Ų164137.1 Ų137.177%0.76676%0.758SS**  trans-118.3148.6169-91-86.3-24.400108.4
386P41.4Very low36Very low121 Ų121138.7 Ų138.779%0.78677%0.766SS**  -155179.678.540.7-20.3000117.4
387G32.5Very low35.9Very low60 Ų60139.6 Ų139.662%0.61977%0.77SS**  trans-80.9-178.8163.700000113.9
388P44.1Very low35.6Very low129 Ų129138.5 Ų138.584%0.83877%0.773SS**  -148.6-158.361.842.2-21.2000116
389D30.5Very low35.3Very low157 Ų157135.4 Ų135.484%0.8477%0.774SS**  trans-88.7-145.7-168.1-51.9-82.6000116.9
390P66.3Low35.3Very low118 Ų118138.4 Ų138.477%0.76678%0.781SS**  -127.7-173.3-125.840.3-18.1000115.8
391P45.4Very low34.9Very low108 Ų108130.5 Ų130.570%0.70177%0.772SS**  trans-148.6136.4147.935.2-17.1000118.2
392N30.9Very low36.1Very low156 Ų156129.8 Ų129.883%0.83477%0.774SS**  52.3155.7126.6-61.2-26.1000124
393S28.9Very low35.8Very low94 Ų94129 Ų12966%0.65777%0.77SS**  cis-178-173.8-25.559.30000111
394I30.8Very low35.7Very low153 Ų153128.9 Ų128.979%0.78577%0.77SS**  trans110.2139.1156.9-66.9161.7000120.7
395S26.8Very low35.8Very low96 Ų96131.1 Ų131.167%0.67177%0.767SS**  trans77.3122.6170.2-71.60000119.3
396L31.4Very low35.7Very low151 Ų151131.8 Ų131.879%0.79177%0.767SS**  cis80.613446.4-66.6166000112.6
397E26.3Very low35.4Very low156 Ų156134.5 Ų134.573%0.72977%0.767SS**  cis-162.4168-1.2-153.5-153.4119.400111.8
398S27.7Very low35.6Very low110 Ų110137.9 Ų137.977%0.76977%0.77SS**  trans63.5154.9145.4-112.80000122.6
399G29.3Very low34.9Very low77 Ų77138.3 Ų138.379%0.79477%0.765SS**  trans146.488.9165.100000116.9
400K33.4Very low34.8Very low217 Ų217135.2 Ų135.294%0.94376%0.756SS**  trans-84.9156.9173.6-68169.1179.6168.10112.3
401G27.4Very low33.1Very low72 Ų72134.3 Ų134.374%0.74275%0.752SS**  trans-81-148.7162.400000112.1
402P58Low32.4Very low118 Ų118137.9 Ų137.977%0.76676%0.759SS**  cis-142.7-138.91.737.2-12.1000113.3
403L33.9Very low32.5Very low147 Ų147137.9 Ų137.977%0.7776%0.758SS**  trans85.492.9159.4-73.7153.7000122.4
404D31.7Very low32.7Very low138 Ų138137.6 Ų137.674%0.73876%0.756SS**  56.4166.1105.2-160.630.2000123.3
405R36.3Very low32.9Very low212 Ų212137 Ų13780%0.875%0.754SS**  trans87149.3170.8-57.5172.372.6153.21.1116.8
406K37.3Very low33.1Very low178 Ų178141.5 Ų141.577%0.77476%0.762SS**  cis-168.8133.1-35.4-137.2174.2-178.1168.60109.8
407K34.4Very low33Very low178 Ų178142.4 Ų142.477%0.77476%0.762SS**  trans49.9126.7140.9-151.7-169.4-172.8-171.50121.2
408L37.2Very low33Very low131 Ų131137.8 Ų137.869%0.68676%0.756SS**  159.3147116.7-83.6171.7000115.2
409N28.1Very low33.2Very low138 Ų138137.6 Ų137.674%0.73875%0.754SS**  trans60.2161.1147.6-669000122.3
410S29.1Very low33.4Very low92 Ų92143.7 Ų143.764%0.64375%0.753SS**  cis-172125.6-45.251.10000111.9
411S30Very low33.3Very low99 Ų99139.8 Ų139.869%0.69274%0.739SS**  trans28122.6150.360.20000123.1
412H31.8Very low33.4Very low183 Ų183142.2 Ų142.285%0.84774%0.744SS**  -157.4133.1127.5-74.3-70.1000105.3
413L32.1Very low32.3Very low155 Ų155144.6 Ų144.681%0.81275%0.749SS**  59.8131.156.7-62.3-178.7000112.8
414S33.7Very low32.1Very low88 Ų88145 Ų14562%0.61575%0.752SS**  cis-175.8-177.40.540.40000111.7
415L34.1Very low31.9Very low140 Ų140145.1 Ų145.173%0.73376%0.758SS**  trans81.7151.4163.9-46.7179.5000116.7
416F31.6Very low31.8Very low192 Ų192141.5 Ų141.584%0.84276%0.76SS**  cis-136.1-137.26.7-134.4-34.8000114.7
417H29.3Very low32.6Very low170 Ų170138.3 Ų138.379%0.78776%0.757SS**  trans-157.3150.7-158.6173.888000116.5
418G26.9Very low32.3Very low59 Ų59134.6 Ų134.661%0.60875%0.754SS**  trans154.9138.3164.500000112.4
419S31.6Very low32Very low105 Ų105135 Ų13573%0.73476%0.762SS**  cis98144.237.1-77.30000112.8
420R32.7Very low32.1Very low205 Ų205134 Ų13477%0.77477%0.766SS**  cis-168.1171.8-14.1-168.4171.5164.4-142.5-22.2109.7
421E31.7Very low33.2Very low136 Ų136135 Ų13564%0.63677%0.77SS**  trans-40.7156.3178.6-57.285.7-97.700119
422S29.1Very low33.1Very low122 Ų122135.9 Ų135.985%0.85378%0.776SS**  -167.5152126.3360000114.2
423L35.8Very low33.1Very low168 Ų168132.9 Ų132.988%0.8878%0.776SS**  trans-145.8138.2167.6-93.4174.9000106.8
424D29.1Very low33Very low155 Ų155128.8 Ų128.883%0.82977%0.77SS**  trans-175.8141156.2-106-33000111.6
425T28Very low33Very low141 Ų141134.9 Ų134.987%0.86578%0.78SS**  trans-178.3126.3153.19.20000113.3
426V33.4Very low33.1Very low137 Ų137138.3 Ų138.383%0.8378%0.783SS**  trans-169.2164.7167.1-102.70000108.3
427P54.7Low33.1Very low110 Ų110140.6 Ų140.671%0.71479%0.786SS**  cis-127.8-172.8-31.839.2-24.4000111.3
428S27.7Very low34.1Very low101 Ų101138 Ų13871%0.70678%0.784SS**  trans161.7142.8131.7-75.60000117.9
429T32.1Very low35.1Very low140 Ų140140.6 Ų140.686%0.85979%0.791SS**  trans71.9153.9147.246.90000123.5
430S30.3Very low35.2Very low117 Ų117144 Ų14482%0.81879%0.794SS**  trans-115.5-162.2-166.2-37.80000111
431P51.6Low35.2Very low113 Ų113140.3 Ų140.373%0.73479%0.789SS**  cis-143.9-169.94.944.3-23.8000118.2
432S28.2Very low35.5Very low117 Ų117140.5 Ų140.582%0.81879%0.794SS**  trans80.4153.9159.788.40000117.9
433S32.2Very low36.1Very low120 Ų120143 Ų14384%0.83979%0.792SS**  cis-157145.5-0.3-166.50000113.7
434G30Very low36.1Very low68 Ų68144.4 Ų144.470%0.70179%0.786SS**  trans103.6117.4141.100000122.9
435R33.5Very low36.5Very low216 Ų216147.2 Ų147.282%0.81579%0.785SS**  trans65142.3151.9-78.1-175179.1-94.25.8118.9
436R34.6Very low36.7Very low213 Ų213143.9 Ų143.980%0.80478%0.778SS**  cis-137172-3.5-57.8-168.5-174.8-159.53.4111.5
437R33Very low37.2Very low239 Ų239143.5 Ų143.590%0.90278%0.782SS**  trans-84.6179.4176.8-69.8-178178.5137.6-3112.7
438P49.5Very low36.2Very low115 Ų115141.2 Ų141.275%0.74778%0.778SS**  cis-137.7175.97.143.3-26.4000118
439P48.5Very low36.9Very low115 Ų115142.8 Ų142.875%0.74778%0.784SS**  trans-120.5157.1163.640-29.1000114.8
440H33.1Very low37.2Very low175 Ų175143.9 Ų143.981%0.8178%0.784SS**  trans-159.3154.1165.4-100.1-103000107.3
441L33.8Very low37.5Very low128 Ų128145.6 Ų145.667%0.6778%0.783SS**  cis-167.2143-26.4-161.984000106.9
442L37Very low37.4Very low140 Ų140147.7 Ų147.773%0.73379%0.787SS**  trans62.8164176.4-49175.6000114.4
443E42.8Very low37.7Very low175 Ų175147.3 Ų147.382%0.81878%0.776SS**  cis-144.4165.1-9.7-141.1153.3-141.700110.6
444R34.2Very low37.8Very low198 Ų198151 Ų15175%0.74777%0.771SS**  trans-128.9101.6-168.5-166.2179.2-167-101.410.8115.4
445R38.9Very low38.5Very low214 Ų214154 Ų15481%0.80877%0.77SS**  trans66.1115.6151.8-62.7177.3175.3-165.1-3.1119.6
446G32Very low38.5Very low70 Ų70149.2 Ų149.272%0.72277%0.77SS**  trans-143.7105.813100000107.6
447S43Very low39Very low130 Ų130147.5 Ų147.591%0.90977%0.77SS**  84.184.777.767.50000113.8
448G33.6Very low39Very low62 Ų62142.9 Ų142.964%0.63977%0.769SS**  trans-171.9111.3164.600000107.7
449T43.5Very low38.4Very low133 Ų133148.9 Ų148.982%0.81678%0.777SS**  54.6101.683.863.80000113.8
450L37.6Very low38.1Very low164 Ų164149.5 Ų149.586%0.85978%0.78SS**  -176.9176115.2-95.3169000112.2
451L36.3Very low38.9Very low153 Ų153144.1 Ų144.180%0.80177%0.772SS**  trans-40.4166.2-172.5-76.3152.7000120.5
452L49.8Very low39.5Very low156 Ų156147.9 Ų147.982%0.81778%0.784SS**  trans-43.3151.7158.9-78.161.4000111.4
453D34.9Very low40.2Very low110 Ų110149.3 Ų149.359%0.58879%0.791SS**  -162.6169.155.5-174.128.3000113.9
454R34.7Very low40.8Very low196 Ų196146 Ų14674%0.7479%0.785SS**  trans69128.1152.2-96.9172.2176104.7-10122.3
455I43.3Very low41.9Very low133 Ų133142.4 Ų142.468%0.68279%0.787SS**  trans74.8101.2149.1-52.1156.8000117.2
456S34.4Very low42.4Very low115 Ų115140 Ų14080%0.80479%0.79SS**  trans-143.8128.6138.854.60000111
457H44Very low43Very low176 Ų176144.6 Ų144.682%0.81580%0.798SS**  trans-58.5132-163.6-51.1-82.2000115.7
458T34.9Very low43.2Very low143 Ų143144.7 Ų144.788%0.87779%0.792SS**  trans-81.5124.3162.742.90000110.8
459R36.8Very low43.4Very low241 Ų241148.9 Ų148.991%0.90980%0.8SS**  trans-110.4160.1155.6-109.7-163.9173.2-145.4-1.2109
460P41.4Very low43.4Very low127 Ų127150.8 Ų150.883%0.82580%0.804SS**SBendtrans-75.8151-155.230-37.1000113.8
461G49.1Very low43.6Very low62 Ų62150 Ų15064%0.63980%0.801SS**SBendtrans171.9-51.616800000114.7
462F48Very low44.4Very low208 Ų208148.3 Ų148.391%0.91280%0.799SS**  trans-138.7140.4-166.6-68.2-84.3000113.8
463L51.2Low44.3Very low169 Ų169146.9 Ų146.989%0.88580%0.799SS**PPolyproline II helixtrans-84.8142.6168.7-80.2162000110.3
464P54.2Low44.7Very low105 Ų105149.1 Ų149.168%0.68281%0.81SS**PPolyproline II helixtrans-69.7142.8166.230.6-33.4000110.4
465P58.7Low45.4Very low124 Ų124145.2 Ų145.281%0.80581%0.81SS**PPolyproline II helixtrans-69.2142.8178.928.6-34.5000111.7
466L48Very low44.8Very low164 Ų164146.9 Ų146.986%0.85982%0.82SS**PPolyproline II helixtrans-75.7133.7176.9-65.5171.9000110.9V468L466-V468 PolarHBondContact O-N 3.28Å
467N44.7Very low45.2Very low166 Ų166149.6 Ų149.689%0.88882%0.824SS**PPolyproline II helixtrans-63.4120.7173.2-85.6-21.6000110.8
468V47.3Very low44.8Very low132 Ų132151.9 Ų151.980%0.883%0.825SS**PPolyproline II helixtrans-84.7141.9168.5179.50000109.3L466L466-V468 PolarHBondContact O-N 3.28Å
469N38.8Very low44.8Very low149 Ų149149.6 Ų149.680%0.79782%0.815SS**PPolyproline II helixtrans-52.7132.7-167.5-58.1-66.6000115.1N471N469-N471 PolarHBondContact O-N 2.98Å
470L42.3Very low44.6Very low174 Ų174143.9 Ų143.991%0.91181%0.812SS**  trans-80.3103.7164.4-69.2172.2000110
471N41.9Very low44.2Very low148 Ų148143.3 Ų143.379%0.79181%0.811SS**  trans-157.1116.4163.4-96.1-38.1000109.9N469N469-N471 PolarHBondContact O-N 2.98Å
472P53.7Low43.9Very low116 Ų116149.7 Ų149.775%0.75382%0.821SS**PPolyproline II helixtrans-87.1141.7-179.233.4-33.4000112.7
473P47.1Very low43.8Very low127 Ų127145.2 Ų145.283%0.82581%0.813SS**PPolyproline II helixtrans-78.1151.3168.432.5-33.6000112.2
474I44.8Very low43Very low157 Ų157142.4 Ų142.481%0.80581%0.807SS**PPolyproline II helixtrans-90.8142.3179.8-62.2172000109.3
475P48Very low42.1Very low114 Ų114142.5 Ų142.574%0.7481%0.811SS**PPolyproline II helixtrans-79.9144.9-177.331.3-36.1000114.5
476D31.4Very low41.5Very low168 Ų168141.8 Ų141.890%0.89881%0.806SS**PPolyproline II helixtrans-75.2152.5175.1-72.9-56.1000114
477I44Very low40.7Very low172 Ų172142 Ų14288%0.88281%0.807SS**  trans-115.1151.3173.7-64.5179000110.6
478R33.8Very low40.2Very low224 Ų224140.8 Ų140.885%0.84581%0.806SS**  trans-105.3141.5-154-158.4-162.6-176.7176.20115
479S35.4Very low39.5Very low94 Ų94139.9 Ų139.966%0.65781%0.805SS**  trans56.3120.6145.6570000122.6
480S32.8Very low39.2Very low121 Ų121136.6 Ų136.685%0.84681%0.807SS**  161.9153.9125.147.60000110.1
481S33.3Very low39.1Very low115 Ų115136.5 Ų136.580%0.80481%0.806SS**  cis-157.9155.1-22.844.60000108.8
482K42.7Very low39.2Very low197 Ų197139.6 Ų139.686%0.85781%0.812SS**  trans-76.4165.2176.1-53.2179.6179.4176.70111.2
483P46.6Very low38.2Very low114 Ų114139 Ų13974%0.7481%0.811SS**  -147.2162.284.740.3-23.7000117.6
484S33.6Very low37.6Very low110 Ų110141 Ų14177%0.76981%0.812SS**  trans44.4127.1148.457.30000124
485S35.6Very low37.5Very low107 Ų107138.9 Ų138.975%0.74881%0.805SS**  trans-75.5176153.365.10000111.1
486P45.6Very low37Very low109 Ų109139.4 Ų139.471%0.70881%0.809SS**  -153173.852.342.7-20.3000119.8
487L31.3Very low37.3Very low169 Ų169138 Ų13889%0.88581%0.806SS**  trans36.4123.7145.8-65167.3000122.1
488T34.2Very low37Very low140 Ų140134.1 Ų134.186%0.85980%0.8SS**  -159171.7120.4-159.40000112
489S32.6Very low37.4Very low113 Ų113129.6 Ų129.679%0.7980%0.8SS**  trans-102.2160.5-179.758.30000112.9
490G32.2Very low37.4Very low80 Ų80130.3 Ų130.383%0.82580%0.804SS**  trans-176.2101.8176.900000114.6
491L40.6Very low38Very low172 Ų172129.9 Ų129.990%0.90180%0.802SS**  trans-78.4137.2168.7-69.3167.7000110.7
492K43.8Very low38.8Very low212 Ų212130.5 Ų130.592%0.92280%0.803SS**  trans-165.1142.1148.9-105.3143.8-170.9177.70111.8
493S32.4Very low38.7Very low104 Ų104130.9 Ų130.973%0.72780%0.804SS**  trans-95.5145.2171173.60000109.7
494M35.2Very low38.4Very low170 Ų170137.5 Ų137.584%0.83782%0.815SS**  trans-165.9137.7134.7-90.4-40.1167.800112.4
495V41.8Very low38.9Very low111 Ų111138.6 Ų138.667%0.67382%0.817SS**  trans22.6128.2148.5-1700000120.2
496P37.4Very low39.1Very low125 Ų125139.8 Ų139.881%0.81281%0.814SS**  trans-77.7141.1170.333.1-34.5000113.2
497V38.8Very low39.5Very low138 Ų138141.2 Ų141.284%0.83682%0.816SS**  trans-109.2136.1172.3175.90000109.7
498A37.3Very low40.3Very low91 Ų91143.8 Ų143.875%0.75281%0.813SS**  trans-82.1134.9-176.300000112.9
499P42.9Very low41Very low130 Ų130140.9 Ų140.984%0.84480%0.799SS**  trans-83.6146.2174.133.5-34.1000112.4
500S34.3Very low41.8Very low108 Ų108142.7 Ų142.776%0.75579%0.793SS**  trans-105.8131.3-174.948.60000114.2
501S46.2Very low42.8Very low113 Ų113147.3 Ų147.379%0.7979%0.79SS**  trans60140.4160.967.30000120
502P49.4Very low43.2Very low128 Ų128147.4 Ų147.483%0.83178%0.783SS**PPolyproline II helixtrans-82150.9-178.833.4-35.5000113.7
503K40.3Very low43.5Very low204 Ų204144 Ų14489%0.88777%0.774SS**PPolyproline II helixtrans-73.6154.6171.7-71.2179.4178.9175.50111.7
504R40.2Very low44.5Very low253 Ų253145.2 Ų145.296%0.95577%0.772SS**PPolyproline II helixtrans-64.3139.1-170.9-58.2174-175165.90.9112.2
505V44.5Very low45.5Very low134 Ų134147.5 Ų147.581%0.81277%0.771SS**PPolyproline II helixtrans-98.4143.3174.1176.50000110.5L507V505-L507 PolarHBondContact O-N 3.49Å
506D40.9Very low46.1Very low131 Ų131152.1 Ų152.170%0.70178%0.777SS**PPolyproline II helixtrans-63.9117.9-171.3-81.6-66.6000115.8R508 S509D506-R508 VanDerWaalsContact C-N 3.28Å; D506-R508 PolarHBondContact O-N 3.15Å; D506-S509 PolarHBondContact O-OG 3.44Å
507L54.2Low46.9Very low140 Ų140152 Ų15273%0.73377%0.765SS**THydrogen-bonded Turntrans-79.30.5177-74.4168.1000114.6V505V505-L507 PolarHBondContact O-N 3.49Å
508R46.9Very low48.2Very low222 Ų222148.8 Ų148.884%0.83875%0.749SS**THydrogen-bonded Turntrans-79.9-23.8-178.2-80.2-173.5169.7-166.2-2.6114.6D506D506-R508 VanDerWaalsContact C-N 3.28Å; D506-R508 PolarHBondContact O-N 3.15Å
509S48.4Very low49.6Very low80 Ų80149.6 Ų149.656%0.55974%0.738SS**THydrogen-bonded Turntrans-72.3-46.9-179.355.50000112.6D506 K511 K512D506-S509 PolarHBondContact O-OG 3.44Å; S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 3.37Å; S509-K511 VanDerWaalsContact O-N 3.15Å; S509-K512 PolarHBondContact O-N 3.24Å
510K49.4Very low50.7Low151 Ų151149.2 Ų149.266%0.65773%0.725SS**Hα-helixtrans-57.7-31.8-175.8-69.9-170.9174.7-174.90114K512 L513K510-K512 VanDerWaalsContact C-N 3.27Å; K510-K512 PolarHBondContact O-N 3.11Å; K510-L513 PolarHBondContact O-N 3.12Å
511K53.1Low52.4Low176 Ų176148.7 Ų148.777%0.76571%0.713SS**Hα-helixtrans-69.4-15.9178.1-70.5-164.9175.2-170.50114.7S509S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 3.37Å; S509-K511 VanDerWaalsContact O-N 3.15Å
512K48.7Very low53.6Low174 Ų174149 Ų14976%0.75770%0.702SS**Hα-helixtrans-84.1-23.2176.8-72.2-170.2175.2-175.60114S509 K510S509-K512 PolarHBondContact O-N 3.24Å; K510-K512 VanDerWaalsContact C-N 3.27Å; K510-K512 PolarHBondContact O-N 3.11Å
513L51.5Low54.7Low140 Ų140147.9 Ų147.973%0.73369%0.685SS**Hα-helixtrans-75.9-45.3-179.4-101.9157.7000112.5K510 R515 R516K510-L513 PolarHBondContact O-N 3.12Å; L513-R515 PolarHBondContact O-N 3.49Å; L513-R516 PolarHBondContact O-N 3.2Å
514L53.2Low56Low131 Ų131144.1 Ų144.169%0.68667%0.672SS**Hα-helixtrans-58.8-32.5-178.7-70.8165.5000113.4R516 H517 S518L514-R516 VanDerWaalsContact C-N 3.28Å; L514-R516 PolarHBondContact O-N 3.43Å; L514-H517 PolarHBondContact O-N 3.31Å; L514-S518 PolarHBondContact O-N 3.01Å
515R55.8Low57.4Low217 Ų217137.9 Ų137.982%0.81965%0.652SS**Hα-helixtrans-70.7-18.7-175.8-148.1177.6-166.8-176.64.1114.2L513L513-R515 PolarHBondContact O-N 3.49Å
516R54.2Low58.6Low209 Ų209137 Ų13779%0.78964%0.639SS**Hα-helixtrans-84.9-41.6173.4-73.6-175.2171.3-178.6-4.2112.1L513 L514 S518 M519 Q520L513-R516 PolarHBondContact O-N 3.2Å; L514-R516 VanDerWaalsContact C-N 3.28Å; L514-R516 PolarHBondContact O-N 3.43Å; R516-S518 VanDerWaalsContact C-N 3.34Å; R516-S518 PolarHBondContact O-N 2.69Å; R516-M519 PolarHBondContact O-N 3.12Å; R516-Q520 PolarHBondContact O-N 2.84Å
517H55.5Low59.7Low123 Ų123136.8 Ų136.857%0.56964%0.637SS**Hα-helixtrans-65.9-36.3-179.5-156.5-87.7000112.4L514 Q520 I521L514-H517 PolarHBondContact O-N 3.31Å; H517-Q520 PolarHBondContact O-N 3.06Å; H517-I521 WeakPolarHBondContact ND1-CD1 3.32Å; H517-I521 PolarHBondContact O-N 2.86Å
518S64.3Low60.2Low70 Ų70133.3 Ų133.349%0.4963%0.625SS.*Hα-helixtrans-58.1-48.9176.6-162.10000112.4L514 R516 Q520 I521 E522L514-S518 PolarHBondContact O-N 3.01Å; R516-S518 VanDerWaalsContact C-N 3.34Å; R516-S518 PolarHBondContact O-N 2.69Å; S518-Q520 VanDerWaalsContact C-N 3.31Å; S518-Q520 PolarHBondContact O-N 2.7Å; S518-I521 PolarHBondContact O-N 2.83Å; S518-E522 WeakPolarHBondContact O-CB 3.36Å; S518-E522 PolarHBondContact O-N 3.45Å
519M68.1Low60.9Low107 Ų107125.9 Ų125.953%0.52760%0.602SS.*Hα-helixtrans-65.6-34.8-176.1-161.9-168.39000112.2R516 E522 Q523R516-M519 PolarHBondContact O-N 3.12Å; M519-E522 PolarHBondContact O-N 3.46Å; M519-Q523 WeakPolarHBondContact O-CB 3.13Å; M519-Q523 VanDerWaalsContact O-CG 3.32Å; M519-Q523 WeakPolarHBondContact O-CG 3.45Å; M519-Q523 PolarHBondContact O-N 3.46Å
520Q65.9Low61.2Low123 Ų123129.2 Ų129.258%0.57561%0.607SS**Hα-helixtrans-71.5-37178.6-171.5173.7-4.100112.4R516 H517 S518 M524R516-Q520 PolarHBondContact O-N 2.84Å; H517-Q520 PolarHBondContact O-N 3.06Å; S518-Q520 VanDerWaalsContact C-N 3.31Å; S518-Q520 PolarHBondContact O-N 2.7Å; Q520-M524 PolarHBondContact O-N 2.81Å
521I70.4Confident61.4Low97 Ų97129.3 Ų129.350%0.49761%0.609SS.*Hα-helixtrans-65.8-43.5172.2-68.7170.9000110.5H517 S518 Q523 M524 K525H517-I521 WeakPolarHBondContact ND1-CD1 3.32Å; H517-I521 PolarHBondContact O-N 2.86Å; S518-I521 PolarHBondContact O-N 2.83Å; I521-Q523 PolarHBondContact O-N 3.01Å; I521-M524 PolarHBondContact O-N 3.31Å; I521-K525 PolarHBondContact O-N 3.38Å
522E71.4Confident61.4Low119 Ų119128.6 Ų128.656%0.55661%0.608SS**Hα-helixtrans-64.1-40.3-179.1-166.4164.9-158.100111.7S518 M519 K525 Q526S518-E522 WeakPolarHBondContact O-CB 3.36Å; S518-E522 PolarHBondContact O-N 3.45Å; M519-E522 PolarHBondContact O-N 3.46Å; E522-K525 PolarHBondContact O-N 3.47Å; E522-Q526 WeakPolarHBondContact O-CG 3.32Å; E522-Q526 PolarHBondContact O-N 2.89Å; E522-Q526 VanDerWaalsContact O-N 3.11Å
523Q71.3Confident61.7Low104 Ų104126.6 Ų126.649%0.48661%0.605SS.*Hα-helixtrans-66.1-38.1171.3-74.2-179.5-44.200113.3M519 I521 L527M519-Q523 WeakPolarHBondContact O-CB 3.13Å; M519-Q523 VanDerWaalsContact O-CG 3.32Å; M519-Q523 WeakPolarHBondContact O-CG 3.45Å; M519-Q523 PolarHBondContact O-N 3.46Å; I521-Q523 PolarHBondContact O-N 3.01Å; Q523-L527 WeakPolarHBondContact O-CG 3.45Å; Q523-L527 PolarHBondContact O-N 3.27Å
524M68.9Low61.6Low125 Ų125128.1 Ų128.162%0.61661%0.61SS**Hα-helixtrans-63.9-45173-82.4-177.361.800111.7Q520 I521 Q526 L527 S528Q520-M524 PolarHBondContact O-N 2.81Å; I521-M524 PolarHBondContact O-N 3.31Å; M524-Q526 PolarHBondContact O-N 2.72Å; M524-L527 PolarHBondContact O-N 3.3Å; M524-L527 VanDerWaalsContact O-N 3.15Å; M524-S528 PolarHBondContact O-N 3.22Å; M524-S528 VanDerWaalsContact O-N 3.12Å; M524-S528 PolarHBondContact O-OG 3.05Å
525K68.8Low61.3Low122 Ų122130.4 Ų130.453%0.5363%0.63SS.*Hα-helixtrans-60.9-44.4179.8-167.9-169.7-176.2-59.80111.4I521 E522 L527 S528 D529I521-K525 PolarHBondContact O-N 3.38Å; E522-K525 PolarHBondContact O-N 3.47Å; K525-L527 PolarHBondContact O-N 3.2Å; K525-S528 PolarHBondContact O-N 3.18Å; K525-S528 VanDerWaalsContact O-N 3.12Å; K525-D529 IonicContact NZ-OD1 3.75Å; K525-D529 PolarHBondContact NZ-OD1 3.44Å; K525-D529 IonicContact NZ-OD2 3.28Å; K525-D529 PolarHBondContact NZ-OD2 3.31Å; K525-D529 WeakPolarHBondContact O-CB 3.46Å; K525-D529 PolarHBondContact O-N 3.15Å
526Q68.7Low61.6Low115 Ų115126.1 Ų126.154%0.53762%0.62SS.*Hα-helixtrans-57.7-34.9177.1-75.1179.2-7.500112.8E522 M524 F530E522-Q526 WeakPolarHBondContact O-CG 3.32Å; E522-Q526 PolarHBondContact O-N 2.89Å; E522-Q526 VanDerWaalsContact O-N 3.11Å; M524-Q526 PolarHBondContact O-N 2.72Å; Q526-F530 VanDerWaalsContact O-CD2 3.28Å; Q526-F530 WeakPolarHBondContact O-CD2 3.46Å; Q526-F530 PolarHBondContact O-N 3.34Å
527L64.9Low61.9Low127 Ų127121.7 Ų121.767%0.66561%0.611SS**Hα-helixtrans-72.4-38.5176.1-67.6171.1000112.4Q523 M524 K525 F530 E531Q523-L527 WeakPolarHBondContact O-CG 3.45Å; Q523-L527 PolarHBondContact O-N 3.27Å; M524-L527 PolarHBondContact O-N 3.3Å; M524-L527 VanDerWaalsContact O-N 3.15Å; K525-L527 PolarHBondContact O-N 3.2Å; L527-F530 PolarHBondContact O-N 3.5Å; L527-E531 PolarHBondContact O-N 3.42Å
528S64.1Low62.3Low67 Ų67121.6 Ų121.647%0.46961%0.614SS.*Hα-helixtrans-66.2-42.3173.3-60.10000112.4M524 K525 F530 E531 E532M524-S528 PolarHBondContact O-N 3.22Å; M524-S528 VanDerWaalsContact O-N 3.12Å; M524-S528 PolarHBondContact O-OG 3.05Å; K525-S528 PolarHBondContact O-N 3.18Å; K525-S528 VanDerWaalsContact O-N 3.12Å; S528-F530 PolarHBondContact O-N 2.8Å; S528-F530 VanDerWaalsContact O-N 3.16Å; S528-E531 PolarHBondContact O-N 3.38Å; S528-E532 PolarHBondContact O-N 3.04Å
529D62.1Low62.2Low66 Ų66124.6 Ų124.635%0.35362%0.621SS.*Hα-helixtrans-62.2-19.6176.1-64-10.1000112K525 I533K525-D529 IonicContact NZ-OD1 3.75Å; K525-D529 PolarHBondContact NZ-OD1 3.44Å; K525-D529 IonicContact NZ-OD2 3.28Å; K525-D529 PolarHBondContact NZ-OD2 3.31Å; K525-D529 WeakPolarHBondContact O-CB 3.46Å; K525-D529 PolarHBondContact O-N 3.15Å; D529-I533 WeakPolarHBondContact O-CD1 3.37Å; D529-I533 WeakPolarHBondContact O-CG1 3.41Å
530F54.2Low61.8Low151 Ų151125.8 Ų125.866%0.66263%0.627SS**Hα-helixtrans-84.8-27.8171.9-97.2-67.7000113.8Q526 L527 S528Q526-F530 VanDerWaalsContact O-CD2 3.28Å; Q526-F530 WeakPolarHBondContact O-CD2 3.46Å; Q526-F530 PolarHBondContact O-N 3.34Å; L527-F530 PolarHBondContact O-N 3.5Å; S528-F530 PolarHBondContact O-N 2.8Å; S528-F530 VanDerWaalsContact O-N 3.16Å
531E55.1Low61.6Low153 Ų153125.9 Ų125.972%0.71563%0.63SS**Hα-helixtrans-76.1-33.8-178.3-161.7163.3-146.200111.1L527 S528 I533 M534L527-E531 PolarHBondContact O-N 3.42Å; S528-E531 PolarHBondContact O-N 3.38Å; E531-I533 PolarHBondContact O-N 3.43Å; E531-M534 PolarHBondContact O-N 3.33Å
532E53Low60.9Low160 Ų160128 Ų12875%0.74864%0.64SS**THydrogen-bonded Turntrans-73.1-4.6176.4-161.5168.6-135.800114S528S528-E532 PolarHBondContact O-N 3.04Å
533I54.1Low60.1Low132 Ų132128.7 Ų128.768%0.67765%0.646SS**THydrogen-bonded Turntrans-100.5-6.3-179.6-64.9174.3000112.4D529 E531D529-I533 WeakPolarHBondContact O-CD1 3.37Å; D529-I533 WeakPolarHBondContact O-CG1 3.41Å; E531-I533 PolarHBondContact O-N 3.43Å
534M50.7Low59.2Low172 Ų172130.8 Ų130.885%0.84766%0.66SS**  trans-114.821.7-177.9-72.7-160.666.900114.9E531E531-M534 PolarHBondContact O-N 3.33Å
535T45.8Very low58.3Low179 Ų179131.3 Ų131.3100%1.09866%0.664SS**  trans-126.50173.759.90000111.8

Retrieved 535 of 535 residues in 1901.6 ms (Link to these results)

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