Q99PU0_MOUSE Loading...

Kinesin superfamily protein 18B

AlphaFold DB , UniProt , Accession Q99PU0, Species MOUSE (Mus musculus, Mouse), Gene KIF18B, Length 149 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
1T55.2Low77.1Confident107 Ų10764.1 Ų64.166%0.65642%0.422SS*.  0159.4037.40000109.9S111T1-S111 WeakPolarHBondContact CG2-OG 3.38Å
2G63.4Low77.6Confident84 Ų8471.1 Ų71.187%0.86643%0.433SS*.  trans88.15.8176.400000117.9G4G2-G4 VanDerWaalsContact C-N 3.26Å; G2-G4 PolarHBondContact O-N 2.96Å
3S67.5Low77.7Confident88 Ų8880.9 Ų80.962%0.61547%0.471SS*.SBendtrans-81.58.7-178.570.70000115.2K5S3-K5 PolarHBondContact O-N 3.31Å; S3-K5 PolarHBondContact OG-NZ 3.13Å; S3-K5 VanDerWaalsContact OG-NZ 3.08Å
4G76.3Confident78.2Confident33 Ų3380.7 Ų80.734%0.3450%0.495SS..SBendtrans79.47178.900000117.1G2 T6 H7 T8G2-G4 VanDerWaalsContact C-N 3.26Å; G2-G4 PolarHBondContact O-N 2.96Å; G4-T6 PolarHBondContact O-N 2.73Å; G4-H7 CarbonylContact O-C 3.51Å; G4-H7 WeakPolarHBondContact O-CA 3.06Å; G4-H7 WeakPolarHBondContact O-CB 3.45Å; G4-H7 PolarHBondContact O-N 2.85Å; G4-H7 VanDerWaalsContact O-N 3.11Å; G4-T8 PolarHBondContact O-N 2.64Å; G4-T8 PolarHBondContact O-OG1 2.9Å
5K82.3Confident79Confident71 Ų7181.2 Ų81.231%0.30949%0.49SS..Hα-helixtrans-52.8-56.8-177.9-71.8-174.6-63.9-69.70113.6S3 H7 T8 M9 L145S3-K5 PolarHBondContact O-N 3.31Å; S3-K5 PolarHBondContact OG-NZ 3.13Å; S3-K5 VanDerWaalsContact OG-NZ 3.08Å; K5-H7 PolarHBondContact O-N 3.46Å; K5-T8 PolarHBondContact O-N 2.94Å; K5-T8 VanDerWaalsContact O-N 3.1Å; K5-M9 WeakPolarHBondContact O-CG 3.47Å; K5-M9 PolarHBondContact O-N 2.78Å; K5-L145 WeakPolarHBondContact CE-O 3.4Å
6T77.4Confident79.7Confident64 Ų6479.9 Ų79.939%0.39348%0.483SS..Hα-helixtrans-61.9-35.6179.1-49.30000111.5G4 M9 L10 D144G4-T6 PolarHBondContact O-N 2.73Å; T6-M9 PolarHBondContact O-N 3.31Å; T6-L10 HydrophobicContact CG2-CD1 3.69Å; T6-L10 HydrophobicContact CG2-CG 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.34Å; T6-L10 PolarHBondContact O-N 2.66Å; T6-D144 PolarHBondContact OG1-OD2 3.08Å; T6-D144 VanDerWaalsContact OG1-OD2 3.12Å
7H80.9Confident80.4Confident88 Ų8875.5 Ų75.541%0.40746%0.458SS..Hα-helixtrans-64.6-42.3174-176.6-87.6000111.8G4 K5 G11 R12 E15G4-H7 CarbonylContact O-C 3.51Å; G4-H7 WeakPolarHBondContact O-CA 3.06Å; G4-H7 WeakPolarHBondContact O-CB 3.45Å; G4-H7 PolarHBondContact O-N 2.85Å; G4-H7 VanDerWaalsContact O-N 3.11Å; K5-H7 PolarHBondContact O-N 3.46Å; H7-G11 WeakPolarHBondContact O-CA 3.28Å; H7-G11 PolarHBondContact O-N 3.49Å; H7-R12 PolarHBondContact NE2-NE 3.06Å; H7-E15 IonicContact CE1-OE2 2.8Å; H7-E15 IonicContact NE2-OE2 3.76Å
8T86.8Confident81.2Confident77 Ų7775.4 Ų75.447%0.47245%0.454SS..Hα-helixtrans-66.9-39.9174.8-58.90000111.9G4 K5 G17 I18G4-T8 PolarHBondContact O-N 2.64Å; G4-T8 PolarHBondContact O-OG1 2.9Å; K5-T8 PolarHBondContact O-N 2.94Å; K5-T8 VanDerWaalsContact O-N 3.1Å; T8-G17 WeakPolarHBondContact O-CA 3.47Å; T8-I18 HydrophobicContact CG2-CD1 3.69Å; T8-I18 HydrophobicContact CG2-CG1 4.19Å; T8-I18 PolarHBondContact O-N 3.14Å
9M88.2Confident81.8Confident25 Ų2571.5 Ų71.512%0.12343%0.43CS..Hα-helixtrans-73.9-50.7-176.8-70.1-59.7-67.800112.6K5 T6 G17 I18 M19 L142 D144K5-M9 WeakPolarHBondContact O-CG 3.47Å; K5-M9 PolarHBondContact O-N 2.78Å; T6-M9 PolarHBondContact O-N 3.31Å; M9-G17 CarbonylContact O-C 3.57Å; M9-I18 PolarHBondContact O-N 2.98Å; M9-M19 HydrophobicContact CB-CE 4.41Å; M9-M19 HydrophobicContact CE-CE 3.46Å; M9-M19 VanDerWaalsContact CE-CE 3.46Å; M9-M19 HydrophobicContact CE-CG 4.04Å; M9-M19 WeakPolarHBondContact O-CB 3.49Å; M9-M19 WeakPolarHBondContact O-CG 3.32Å; M9-M19 PolarHBondContact O-N 3.2Å; M9-L142 HydrophobicContact CE-CB 3.92Å; M9-D144 HydrophobicContact CB-CB 4.42Å; M9-D144 HydrophobicContact CG-CB 4.15Å
10L84.4Confident82.3Confident48 Ų4873 Ų7325%0.25143%0.429SS..Hα-helixtrans-95.9-35.4-175.2-61.3-179.4000112.8T6 G17 M19 L93 N97T6-L10 HydrophobicContact CG2-CD1 3.69Å; T6-L10 HydrophobicContact CG2-CG 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.34Å; T6-L10 PolarHBondContact O-N 2.66Å; L10-G17 PolarHBondContact O-N 2.87Å; L10-M19 HydrophobicContact CD2-SD 3.6Å; L10-L93 HydrophobicContact CD2-CD1 4.49Å; L10-L93 HydrophobicContact CD2-CD2 4.45Å; L10-N97 VanDerWaalsContact CD2-ND2 3.33Å; L10-N97 WeakPolarHBondContact CD2-ND2 3.31Å
11G86.3Confident82.9Confident20 Ų2074 Ų7421%0.20643%0.432CS..EExtended strand (participates in β ladder)trans77.7-162.4-171.400000112.8H7 E15H7-G11 WeakPolarHBondContact O-CA 3.28Å; H7-G11 PolarHBondContact O-N 3.49Å; G11-E15 CarbonylContact C-O 3.59Å; G11-E15 WeakPolarHBondContact CA-O 3.5Å
12R82.8Confident84.8Confident148 Ų14870.7 Ų70.756%0.55841%0.411SS*.EExtended strand (participates in β ladder)trans-141172.5172.558.7178.6171.8170.8-0.4109.6H7 G14 E15H7-R12 PolarHBondContact NE2-NE 3.06Å; R12-G14 PolarHBondContact O-N 2.84Å; R12-E15 HydrophobicContact CG-CB 3.83Å; R12-E15 IonicContact CZ-OE1 2.85Å; R12-E15 IonicContact CZ-OE2 3.86Å; R12-E15 PolarHBondContact N-O 2.92Å; R12-E15 VanDerWaalsContact NE-CD 3.26Å; R12-E15 IonicContact NE-OE1 3.61Å; R12-E15 IonicContact NE-OE2 2.75Å; R12-E15 PolarHBondContact NE-OE2 2.77Å; R12-E15 IonicContact NH2-OE1 3.84Å; R12-E15 PolarHBondContact NH2-OE1 2.95Å; R12-E15 IonicContact NH2-OE2 2.75Å; R12-E15 PolarHBondContact NH2-OE2 2.91Å; R12-E15 CarbonylContact O-C 3.21Å; R12-E15 PolarHBondContact O-N 3.18Å; R12-E15 VanDerWaalsContact O-O 3.06Å
13E79.3Confident86.3Confident199 Ų19966.7 Ų66.793%0.9337%0.37SS*.THydrogen-bonded Turntrans-55.4128.8173.1-167.1174.4-170.200110.4E15E13-E15 VanDerWaalsContact C-N 3.25Å; E13-E15 PolarHBondContact O-N 2.8Å
14G84.6Confident87.7Confident78 Ų7865.7 Ų65.780%0.80436%0.357SS*.THydrogen-bonded Turntrans80.4-13.5-174.600000115.9R12R12-G14 PolarHBondContact O-N 2.84Å
15E89.4Confident88.7Confident88 Ų8867.1 Ų67.141%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-134.780.4178.4-69.8177-163.800110.2H7 G11 R12 E13H7-E15 IonicContact CE1-OE2 2.8Å; H7-E15 IonicContact NE2-OE2 3.76Å; G11-E15 CarbonylContact C-O 3.59Å; G11-E15 WeakPolarHBondContact CA-O 3.5Å; R12-E15 HydrophobicContact CG-CB 3.83Å; R12-E15 IonicContact CZ-OE1 2.85Å; R12-E15 IonicContact CZ-OE2 3.86Å; R12-E15 PolarHBondContact N-O 2.92Å; R12-E15 VanDerWaalsContact NE-CD 3.26Å; R12-E15 IonicContact NE-OE1 3.61Å; R12-E15 IonicContact NE-OE2 2.75Å; R12-E15 PolarHBondContact NE-OE2 2.77Å; R12-E15 IonicContact NH2-OE1 3.84Å; R12-E15 PolarHBondContact NH2-OE1 2.95Å; R12-E15 IonicContact NH2-OE2 2.75Å; R12-E15 PolarHBondContact NH2-OE2 2.91Å; R12-E15 CarbonylContact O-C 3.21Å; R12-E15 PolarHBondContact O-N 3.18Å; R12-E15 VanDerWaalsContact O-O 3.06Å; E13-E15 VanDerWaalsContact C-N 3.25Å; E13-E15 PolarHBondContact O-N 2.8Å
16P90.3Very high89.4Confident60 Ų6065.2 Ų65.239%0.3935%0.347SS..EExtended strand (participates in β ladder)trans-65.8137.9-175.226-34000112.2Y20 L21P16-Y20 HydrophobicContact CB-CD1 3.35Å; P16-Y20 HydrophobicContact CB-CE1 4.02Å; P16-Y20 HydrophobicContact CB-CG 3.67Å; P16-Y20 HydrophobicContact CG-CD1 4.13Å; P16-Y20 HydrophobicContact CG-CE1 4.46Å; P16-L21 HydrophobicContact CB-CD2 4.35Å; P16-L21 HydrophobicContact CB-CG 4.35Å; P16-L21 HydrophobicContact CG-CD2 3.93Å; P16-L21 HydrophobicContact CG-CG 4.33Å
17G92.6Very high90.3Very high5 Ų563 Ų635%0.05233%0.332CS..  trans-80.7179.2176.500000113.3T8 M9 L10 M19 Y20 L21T8-G17 WeakPolarHBondContact O-CA 3.47Å; M9-G17 CarbonylContact O-C 3.57Å; L10-G17 PolarHBondContact O-N 2.87Å; G17-M19 VanDerWaalsContact C-N 3.28Å; G17-M19 PolarHBondContact O-N 2.73Å; G17-Y20 PolarHBondContact O-N 3.06Å; G17-L21 WeakPolarHBondContact O-CG 3.47Å; G17-L21 PolarHBondContact O-N 3.13Å; G17-L21 VanDerWaalsContact O-N 3.07Å
18I93.6Very high91.1Very high75 Ų7565.2 Ų65.239%0.38534%0.336SS..Hα-helixtrans-56.2-40.4-179.1-68.5177.8000111.8T8 M9 Y20 L21 T22T8-I18 HydrophobicContact CG2-CD1 3.69Å; T8-I18 HydrophobicContact CG2-CG1 4.19Å; T8-I18 PolarHBondContact O-N 3.14Å; M9-I18 PolarHBondContact O-N 2.98Å; I18-Y20 VanDerWaalsContact C-N 3.34Å; I18-Y20 PolarHBondContact O-N 2.98Å; I18-L21 PolarHBondContact O-N 3.18Å; I18-T22 WeakPolarHBondContact O-CB 3.41Å; I18-T22 PolarHBondContact O-N 2.77Å; I18-T22 PolarHBondContact O-OG1 3.18Å
19M92.8Very high91.5Very high1 Ų167.6 Ų67.61%0.00534%0.337CS..Hα-helixtrans-63.2-41.3-178.8-66.6-169.3177.900112M9 L10 G17 T23 L93 F118 L142M9-M19 HydrophobicContact CB-CE 4.41Å; M9-M19 HydrophobicContact CE-CE 3.46Å; M9-M19 VanDerWaalsContact CE-CE 3.46Å; M9-M19 HydrophobicContact CE-CG 4.04Å; M9-M19 WeakPolarHBondContact O-CB 3.49Å; M9-M19 WeakPolarHBondContact O-CG 3.32Å; M9-M19 PolarHBondContact O-N 3.2Å; L10-M19 HydrophobicContact CD2-SD 3.6Å; G17-M19 VanDerWaalsContact C-N 3.28Å; G17-M19 PolarHBondContact O-N 2.73Å; M19-T23 WeakPolarHBondContact O-CB 3.31Å; M19-T23 PolarHBondContact O-N 3.14Å; M19-T23 VanDerWaalsContact O-N 3.11Å; M19-T23 PolarHBondContact O-OG1 2.81Å; M19-L93 HydrophobicContact CB-CD2 3.83Å; M19-L93 HydrophobicContact SD-CD1 3.71Å; M19-L93 HydrophobicContact SD-CD2 4.11Å; M19-F118 HydrophobicContact CE-CB 4.12Å; M19-F118 HydrophobicContact SD-CB 4.37Å; M19-L142 HydrophobicContact CB-CD1 4.25Å; M19-L142 HydrophobicContact CE-CB 3.94Å; M19-L142 HydrophobicContact CG-CB 4.19Å; M19-L142 HydrophobicContact CG-CD1 3.87Å
20Y92.3Very high91.9Very high101 Ų10167.4 Ų67.440%0.39634%0.336SS..Hα-helixtrans-65-54.6176.5-179.7-80.1000110.9P16 G17 I18 T22 T23 M24 L90P16-Y20 HydrophobicContact CB-CD1 3.35Å; P16-Y20 HydrophobicContact CB-CE1 4.02Å; P16-Y20 HydrophobicContact CB-CG 3.67Å; P16-Y20 HydrophobicContact CG-CD1 4.13Å; P16-Y20 HydrophobicContact CG-CE1 4.46Å; G17-Y20 PolarHBondContact O-N 3.06Å; I18-Y20 VanDerWaalsContact C-N 3.34Å; I18-Y20 PolarHBondContact O-N 2.98Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 2.74Å; Y20-T23 WeakPolarHBondContact O-CB 3.31Å; Y20-T23 PolarHBondContact O-N 2.84Å; Y20-T23 VanDerWaalsContact O-N 3.11Å; Y20-M24 HydrophobicContact CD1-CG 4.03Å; Y20-M24 HydrophobicContact CE1-CG 3.59Å; Y20-M24 PolarHBondContact O-N 2.89Å; Y20-L90 HydrophobicContact CD2-CD1 3.57Å; Y20-L90 HydrophobicContact CD2-CD2 3.73Å; Y20-L90 HydrophobicContact CD2-CG 4.25Å; Y20-L90 HydrophobicContact CE2-CD1 3.39Å; Y20-L90 HydrophobicContact CE2-CD2 4.44Å; Y20-L90 HydrophobicContact CE2-CG 4.5Å; Y20-L90 HydrophobicContact CG-CD1 4.46Å; Y20-L90 HydrophobicContact CG-CD2 4.25Å
21L95.1Very high92.5Very high95 Ų9570.5 Ų70.550%0.49735%0.35SS..Hα-helixtrans-59.8-40.7-177-66.6171.8000111.8P16 G17 I18 M24 E25P16-L21 HydrophobicContact CB-CD2 4.35Å; P16-L21 HydrophobicContact CB-CG 4.35Å; P16-L21 HydrophobicContact CG-CD2 3.93Å; P16-L21 HydrophobicContact CG-CG 4.33Å; G17-L21 WeakPolarHBondContact O-CG 3.47Å; G17-L21 PolarHBondContact O-N 3.13Å; G17-L21 VanDerWaalsContact O-N 3.07Å; I18-L21 PolarHBondContact O-N 3.18Å; L21-M24 PolarHBondContact O-N 2.91Å; L21-E25 WeakPolarHBondContact O-CB 3.34Å; L21-E25 PolarHBondContact O-N 3.08Å
22T95.6Very high93Very high37 Ų3773.3 Ų73.323%0.22737%0.37CS..Hα-helixtrans-64.3-41.9177.4-59.90000111.4I18 Y20 L26 M140 L142I18-T22 WeakPolarHBondContact O-CB 3.41Å; I18-T22 PolarHBondContact O-N 2.77Å; I18-T22 PolarHBondContact O-OG1 3.18Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 2.74Å; T22-L26 VanDerWaalsContact O-CB 3.22Å; T22-L26 WeakPolarHBondContact O-CB 3.48Å; T22-L26 PolarHBondContact O-N 3.19Å; T22-M140 HydrophobicContact CG2-CE 3.36Å; T22-M140 HydrophobicContact CG2-SD 3.77Å; T22-L142 HydrophobicContact CG2-CD1 4.37Å
23T94.8Very high93.5Very high0 Ų071.9 Ų71.90%037%0.365CS..Hα-helixtrans-63.1-48.7178.3-61.70000111.1M19 Y20 E25 L26 Y27 A86 L89 L90M19-T23 WeakPolarHBondContact O-CB 3.31Å; M19-T23 PolarHBondContact O-N 3.14Å; M19-T23 VanDerWaalsContact O-N 3.11Å; M19-T23 PolarHBondContact O-OG1 2.81Å; Y20-T23 WeakPolarHBondContact O-CB 3.31Å; Y20-T23 PolarHBondContact O-N 2.84Å; Y20-T23 VanDerWaalsContact O-N 3.11Å; T23-E25 PolarHBondContact O-N 3.08Å; T23-L26 WeakPolarHBondContact O-CB 3.46Å; T23-L26 PolarHBondContact O-N 2.91Å; T23-Y27 HydrophobicContact CG2-CD2 4.09Å; T23-Y27 HydrophobicContact CG2-CE2 4.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.27Å; T23-Y27 PolarHBondContact O-N 2.87Å; T23-A86 HydrophobicContact CG2-CB 4.16Å; T23-L89 HydrophobicContact CG2-CB 4.18Å; T23-L89 HydrophobicContact CG2-CD1 4.06Å; T23-L89 HydrophobicContact CG2-CD2 3.67Å; T23-L89 HydrophobicContact CG2-CG 4.17Å; T23-L90 HydrophobicContact CG2-CD2 4.12Å; T23-L90 HydrophobicContact CG2-CG 4.09Å
24M95.4Very high94.2Very high67 Ų6767.2 Ų67.233%0.3334%0.343SS..Hα-helixtrans-61.5-46.1-180-65.5-54.6-65.100111.7Y20 L21 L26 Y27 R28 A86 L90Y20-M24 HydrophobicContact CD1-CG 4.03Å; Y20-M24 HydrophobicContact CE1-CG 3.59Å; Y20-M24 PolarHBondContact O-N 2.89Å; L21-M24 PolarHBondContact O-N 2.91Å; M24-L26 VanDerWaalsContact C-N 3.34Å; M24-L26 PolarHBondContact O-N 3.41Å; M24-Y27 PolarHBondContact O-N 3.27Å; M24-R28 WeakPolarHBondContact O-CB 3.48Å; M24-R28 PolarHBondContact O-N 3.47Å; M24-A86 HydrophobicContact SD-CB 3.82Å; M24-L90 HydrophobicContact SD-CD1 3.96Å
25E97Very high94.5Very high62 Ų6271.7 Ų71.729%0.2934%0.343SS..Hα-helixtrans-66.6-35.5178.2176.959.9-171.600112.3L21 T23 R28 R29L21-E25 WeakPolarHBondContact O-CB 3.34Å; L21-E25 PolarHBondContact O-N 3.08Å; T23-E25 PolarHBondContact O-N 3.08Å; E25-R28 IonicContact OE1-CZ 3.79Å; E25-R28 IonicContact OE1-NE 3.43Å; E25-R28 IonicContact OE1-NH2 3.62Å; E25-R28 PolarHBondContact OE1-NH2 3.05Å; E25-R28 IonicContact OE2-CZ 3.82Å; E25-R28 IonicContact OE2-NE 3.78Å; E25-R28 PolarHBondContact OE2-NE 3.01Å; E25-R28 IonicContact OE2-NH2 3.42Å; E25-R28 PolarHBondContact OE2-NH2 3.11Å; E25-R28 VanDerWaalsContact OE2-NH2 3.13Å; E25-R29 WeakPolarHBondContact O-CB 3.49Å; E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 VanDerWaalsContact O-N 3.1Å; E25-R29 IonicContact OE1-CZ 3.06Å; E25-R29 IonicContact OE1-NE 2.64Å; E25-R29 PolarHBondContact OE1-NE 3.37Å; E25-R29 IonicContact OE1-NH2 3.37Å; E25-R29 PolarHBondContact OE1-NH2 3.11Å; E25-R29 VanDerWaalsContact OE1-NH2 3.13Å
26L97.1Very high94.6Very high31 Ų3173.8 Ų73.816%0.16235%0.353CS..Hα-helixtrans-59-58.3174.6172.762.3000110.2T22 T23 M24 R28 R29 L30 I120 V122T22-L26 VanDerWaalsContact O-CB 3.22Å; T22-L26 WeakPolarHBondContact O-CB 3.48Å; T22-L26 PolarHBondContact O-N 3.19Å; T23-L26 WeakPolarHBondContact O-CB 3.46Å; T23-L26 PolarHBondContact O-N 2.91Å; M24-L26 VanDerWaalsContact C-N 3.34Å; M24-L26 PolarHBondContact O-N 3.41Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.06Å; L26-R29 WeakPolarHBondContact O-CA 3.35Å; L26-R29 WeakPolarHBondContact O-CB 3.36Å; L26-R29 PolarHBondContact O-N 3.1Å; L26-L30 HydrophobicContact CD1-CD1 4.29Å; L26-L30 HydrophobicContact CD1-CD2 4.18Å; L26-L30 HydrophobicContact CD1-CG 4.16Å; L26-L30 HydrophobicContact CG-CD1 4.23Å; L26-L30 HydrophobicContact CG-CG 4.43Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 2.97Å; L26-I120 HydrophobicContact CD2-CD1 4.25Å; L26-I120 HydrophobicContact CD2-CG2 3.78Å; L26-V122 HydrophobicContact CD1-CG2 4.12Å; L26-V122 HydrophobicContact CD2-CG2 4.24Å
27Y96.9Very high94.7Very high18 Ų1872.9 Ų72.97%0.07134%0.343CS..Hα-helixtrans-60.8-41.3-177.3-87.5-95.2000112.2T23 M24 R29 L30 E31 P83 S85 A86 L89T23-Y27 HydrophobicContact CG2-CD2 4.09Å; T23-Y27 HydrophobicContact CG2-CE2 4.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.27Å; T23-Y27 PolarHBondContact O-N 2.87Å; M24-Y27 PolarHBondContact O-N 3.27Å; Y27-R29 PolarHBondContact O-N 3.23Å; Y27-L30 PolarHBondContact O-N 3.13Å; Y27-E31 WeakPolarHBondContact O-CG 3.42Å; Y27-E31 PolarHBondContact O-N 2.84Å; Y27-P83 WeakPolarHBondContact OH-CG 3.44Å; Y27-P83 PolarHBondContact OH-O 2.89Å; Y27-S85 VanDerWaalsContact CE1-C 3.48Å; Y27-A86 HydrophobicContact CD1-CB 4.34Å; Y27-A86 HydrophobicContact CD2-CB 3.74Å; Y27-A86 HydrophobicContact CE2-CB 4.36Å; Y27-A86 HydrophobicContact CG-CB 3.72Å; Y27-L89 HydrophobicContact CE2-CB 4.39Å; Y27-L89 HydrophobicContact CE2-CD1 3.86Å
28R97.4Very high94.8Very high134 Ų13478.1 Ų78.151%0.50637%0.366SS..Hα-helixtrans-54.7-40.2173.1-167.7-167.770.9800112.4M24 E25 L26 A32M24-R28 WeakPolarHBondContact O-CB 3.48Å; M24-R28 PolarHBondContact O-N 3.47Å; E25-R28 IonicContact OE1-CZ 3.79Å; E25-R28 IonicContact OE1-NE 3.43Å; E25-R28 IonicContact OE1-NH2 3.62Å; E25-R28 PolarHBondContact OE1-NH2 3.05Å; E25-R28 IonicContact OE2-CZ 3.82Å; E25-R28 IonicContact OE2-NE 3.78Å; E25-R28 PolarHBondContact OE2-NE 3.01Å; E25-R28 IonicContact OE2-NH2 3.42Å; E25-R28 PolarHBondContact OE2-NH2 3.11Å; E25-R28 VanDerWaalsContact OE2-NH2 3.13Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.06Å; R28-A32 WeakPolarHBondContact O-CB 3.22Å; R28-A32 PolarHBondContact O-N 3.41Å; R28-A32 VanDerWaalsContact O-N 3.11Å
29R96.6Very high94.8Very high128 Ų12876.7 Ų76.748%0.48336%0.357SS..Hα-helixtrans-74.1-29.9177.7-77.3-176.5-176.2-158.23.9114E25 L26 Y27 R33E25-R29 WeakPolarHBondContact O-CB 3.49Å; E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 VanDerWaalsContact O-N 3.1Å; E25-R29 IonicContact OE1-CZ 3.06Å; E25-R29 IonicContact OE1-NE 2.64Å; E25-R29 PolarHBondContact OE1-NE 3.37Å; E25-R29 IonicContact OE1-NH2 3.37Å; E25-R29 PolarHBondContact OE1-NH2 3.11Å; E25-R29 VanDerWaalsContact OE1-NH2 3.13Å; L26-R29 WeakPolarHBondContact O-CA 3.35Å; L26-R29 WeakPolarHBondContact O-CB 3.36Å; L26-R29 PolarHBondContact O-N 3.1Å; Y27-R29 PolarHBondContact O-N 3.23Å; R29-R33 PolarHBondContact O-NH1 2.88Å; R29-R33 VanDerWaalsContact O-NH1 3.14Å
30L95.9Very high95Very high20 Ų2079.5 Ų79.511%0.10537%0.37CS..Hα-helixtrans-70.7-48.2174.8-60-178.1000109.6L26 Y27 A32 R33 Q34 F39 V41 V122L26-L30 HydrophobicContact CD1-CD1 4.29Å; L26-L30 HydrophobicContact CD1-CD2 4.18Å; L26-L30 HydrophobicContact CD1-CG 4.16Å; L26-L30 HydrophobicContact CG-CD1 4.23Å; L26-L30 HydrophobicContact CG-CG 4.43Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 2.97Å; Y27-L30 PolarHBondContact O-N 3.13Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 2.74Å; L30-R33 CarbonylContact O-C 3.58Å; L30-R33 PolarHBondContact O-N 2.8Å; L30-Q34 PolarHBondContact O-N 3.45Å; L30-Q34 VanDerWaalsContact O-N 3.11Å; L30-F39 HydrophobicContact CB-CD2 4.09Å; L30-F39 HydrophobicContact CB-CE2 4.39Å; L30-F39 HydrophobicContact CB-CG 4.37Å; L30-F39 HydrophobicContact CD2-CB 4.36Å; L30-F39 HydrophobicContact CD2-CD1 3.58Å; L30-F39 HydrophobicContact CD2-CD2 4.19Å; L30-F39 HydrophobicContact CD2-CE1 3.75Å; L30-F39 HydrophobicContact CD2-CE2 4.36Å; L30-F39 HydrophobicContact CD2-CG 3.79Å; L30-F39 HydrophobicContact CD2-CZ 4.15Å; L30-F39 WeakPolarHBondContact O-CE2 3.45Å; L30-V41 HydrophobicContact CD1-CG2 3.47Å; L30-V41 VanDerWaalsContact CD1-CG2 3.47Å; L30-V122 HydrophobicContact CD2-CG1 4.02Å
31E95.8Very high95.3Very high114 Ų11475.1 Ų75.153%0.53335%0.354SS..Hα-helixtrans-58.7-43.4176.9-73.9172.2-166.700112.2Y27 R33 Q34Y27-E31 WeakPolarHBondContact O-CG 3.42Å; Y27-E31 PolarHBondContact O-N 2.84Å; E31-R33 PolarHBondContact O-N 3.16Å; E31-Q34 WeakPolarHBondContact O-CB 3.37Å; E31-Q34 WeakPolarHBondContact O-CG 3.16Å; E31-Q34 PolarHBondContact O-N 3.09Å; E31-Q34 PolarHBondContact O-NE2 3.19Å
32A96.9Very high95.4Very high78 Ų7872 Ų7265%0.64534%0.338SS*.THydrogen-bonded Turntrans-62.7-14.8177.800000114.2R28 L30R28-A32 WeakPolarHBondContact O-CB 3.22Å; R28-A32 PolarHBondContact O-N 3.41Å; R28-A32 VanDerWaalsContact O-N 3.11Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 2.74Å
33R94.4Very high95.5Very high119 Ų11970.3 Ų70.345%0.44933%0.327SS..THydrogen-bonded Turntrans-117.66.1-179.8-64.9-173.7-177.990.6-2.4113.2R29 L30 E31 E35 E36 K37 F39R29-R33 PolarHBondContact O-NH1 2.88Å; R29-R33 VanDerWaalsContact O-NH1 3.14Å; L30-R33 CarbonylContact O-C 3.58Å; L30-R33 PolarHBondContact O-N 2.8Å; E31-R33 PolarHBondContact O-N 3.16Å; R33-E35 PolarHBondContact O-N 3.02Å; R33-E36 PolarHBondContact O-N 2.82Å; R33-K37 HydrophobicContact CB-CG 4.49Å; R33-K37 PolarHBondContact O-N 2.75Å; R33-F39 HydrophobicContact CB-CE2 3.88Å; R33-F39 HydrophobicContact CB-CZ 3.85Å
34Q93Very high95.6Very high101 Ų10170.3 Ų70.347%0.47233%0.327SS..THydrogen-bonded Turntrans-66.9-20.5-171.374.9-171-60.800113.4L30 E31 K37 R127L30-Q34 PolarHBondContact O-N 3.45Å; L30-Q34 VanDerWaalsContact O-N 3.11Å; E31-Q34 WeakPolarHBondContact O-CB 3.37Å; E31-Q34 WeakPolarHBondContact O-CG 3.16Å; E31-Q34 PolarHBondContact O-N 3.09Å; E31-Q34 PolarHBondContact O-NE2 3.19Å; Q34-K37 CarbonylContact C-O 3.51Å; Q34-R127 PolarHBondContact O-NE 3.21Å; Q34-R127 PolarHBondContact O-NH1 2.91Å; Q34-R127 VanDerWaalsContact O-NH1 3.08Å; Q34-R127 PolarHBondContact O-NH2 2.94Å; Q34-R127 VanDerWaalsContact O-NH2 3.08Å
35E92.7Very high95.7Very high172 Ų17267.1 Ų67.180%0.80431%0.312SS*.THydrogen-bonded Turntrans-73-34.2176.7-63.9-173.917300112.2R33 R127R33-E35 PolarHBondContact O-N 3.02Å; E35-R127 VanDerWaalsContact O-CD 3.31Å; E35-R127 WeakPolarHBondContact O-CD 3.47Å
36E91.3Very high95.6Very high132 Ų13264.7 Ų64.762%0.61730%0.301SS*.THydrogen-bonded Turntrans-94.9-28.6-176.4-62.8175.1-161.300112.7R33 R127R33-E36 PolarHBondContact O-N 2.82Å; E36-R127 WeakPolarHBondContact O-CB 3.48Å; E36-R127 PolarHBondContact O-N 2.86Å
37K92.3Very high95.4Very high41 Ų4163.2 Ų63.218%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-129.3148.4-170.1-52.4-60.8176.9-166.30111.1R33 Q34 F39 Q124 Q125 D126 R127R33-K37 HydrophobicContact CB-CG 4.49Å; R33-K37 PolarHBondContact O-N 2.75Å; Q34-K37 CarbonylContact C-O 3.51Å; K37-F39 HydrophobicContact CB-CD2 4.36Å; K37-F39 HydrophobicContact CB-CE1 4.17Å; K37-F39 HydrophobicContact CB-CE2 3.6Å; K37-F39 HydrophobicContact CB-CZ 3.49Å; K37-F39 VanDerWaalsContact CB-CZ 3.49Å; K37-F39 HydrophobicContact CG-CZ 4.05Å; K37-Q124 HydrophobicContact CB-CG 4.28Å; K37-Q124 HydrophobicContact CD-CG 4.48Å; K37-Q124 HydrophobicContact CG-CG 4.45Å; K37-Q125 CarbonylContact C-O 3.52Å; K37-Q125 VanDerWaalsContact CA-O 3.31Å; K37-Q125 WeakPolarHBondContact CA-O 3.47Å; K37-D126 HydrophobicContact CD-CB 4.45Å; K37-D126 WeakPolarHBondContact CD-OD1 3.49Å; K37-D126 VanDerWaalsContact CE-OD1 3.28Å; K37-D126 WeakPolarHBondContact CE-OD1 3.44Å; K37-D126 IonicContact NZ-OD1 2.69Å; K37-D126 PolarHBondContact NZ-OD1 2.85Å; K37-D126 IonicContact NZ-OD2 3.33Å; K37-D126 PolarHBondContact NZ-OD2 2.93Å; K37-R127 PolarHBondContact O-NE 3.5Å; K37-R127 VanDerWaalsContact O-NE 3.14Å
38Q93.1Very high95.2Very high115 Ų11564.5 Ų64.554%0.53730%0.302SS..EExtended strand (participates in β ladder)trans-101.3137.2165.7-175.4173.6-3.100108.8Q124 Q125 R127Q38-Q124 WeakPolarHBondContact O-CA 3.3Å; Q38-Q125 PolarHBondContact N-O 3.38Å; Q38-Q125 PolarHBondContact O-N 3.21Å; Q38-R127 HydrophobicContact CB-CG 4.41Å
39F95.3Very high94.7Very high45 Ų4561 Ų6120%0.19729%0.29CS..EExtended strand (participates in β ladder)trans-123.9143.4179.7-59-78.4000110.9L30 R33 K37 V122 K123 Q124L30-F39 HydrophobicContact CB-CD2 4.09Å; L30-F39 HydrophobicContact CB-CE2 4.39Å; L30-F39 HydrophobicContact CB-CG 4.37Å; L30-F39 HydrophobicContact CD2-CB 4.36Å; L30-F39 HydrophobicContact CD2-CD1 3.58Å; L30-F39 HydrophobicContact CD2-CD2 4.19Å; L30-F39 HydrophobicContact CD2-CE1 3.75Å; L30-F39 HydrophobicContact CD2-CE2 4.36Å; L30-F39 HydrophobicContact CD2-CG 3.79Å; L30-F39 HydrophobicContact CD2-CZ 4.15Å; L30-F39 WeakPolarHBondContact O-CE2 3.45Å; R33-F39 HydrophobicContact CB-CE2 3.88Å; R33-F39 HydrophobicContact CB-CZ 3.85Å; K37-F39 HydrophobicContact CB-CD2 4.36Å; K37-F39 HydrophobicContact CB-CE1 4.17Å; K37-F39 HydrophobicContact CB-CE2 3.6Å; K37-F39 HydrophobicContact CB-CZ 3.49Å; K37-F39 VanDerWaalsContact CB-CZ 3.49Å; K37-F39 HydrophobicContact CG-CZ 4.05Å; F39-V122 HydrophobicContact CD1-CG1 4.09Å; F39-K123 CarbonylContact C-O 3.56Å; F39-K123 VanDerWaalsContact CA-O 3.27Å; F39-K123 WeakPolarHBondContact CA-O 3.06Å; F39-Q124 HydrophobicContact CD1-CB 3.9Å; F39-Q124 HydrophobicContact CD1-CG 3.92Å; F39-Q124 HydrophobicContact CE1-CB 3.89Å; F39-Q124 HydrophobicContact CE1-CG 3.5Å; F39-Q124 VanDerWaalsContact CE1-CG 3.5Å; F39-Q124 HydrophobicContact CZ-CG 4.3Å
40E96.3Very high94.1Very high59 Ų5959.4 Ų59.428%0.27629%0.291SS..EExtended strand (participates in β ladder)trans-125.9123.7166.3-173.7-164.9139.300107.4L42 K123E40-L42 WeakPolarHBondContact OE1-CD1 3.4Å; E40-K123 HydrophobicContact CB-CB 4.13Å; E40-K123 HydrophobicContact CB-CD 4.44Å; E40-K123 VanDerWaalsContact CD-NZ 3.31Å; E40-K123 PolarHBondContact N-O 3Å; E40-K123 PolarHBondContact O-N 3.48Å; E40-K123 IonicContact OE1-NZ 2.73Å; E40-K123 PolarHBondContact OE1-NZ 3.25Å; E40-K123 WeakPolarHBondContact OE2-CD 3.37Å; E40-K123 IonicContact OE2-NZ 3.13Å; E40-K123 PolarHBondContact OE2-NZ 2.86Å
41V97.9Very high93.6Very high10 Ų1067.6 Ų67.66%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-104.2123.5176.8-178.80000108.4L30 I43 Q82 P83 I120 F121L30-V41 HydrophobicContact CD1-CG2 3.47Å; L30-V41 VanDerWaalsContact CD1-CG2 3.47Å; V41-I43 HydrophobicContact CG1-CG2 4.43Å; V41-Q82 WeakPolarHBondContact O-CG 3.44Å; V41-P83 HydrophobicContact CG1-CG 4.21Å; V41-I120 HydrophobicContact CG1-CG2 3.91Å; V41-F121 CarbonylContact C-O 3.6Å; V41-F121 WeakPolarHBondContact CA-O 3.45Å
42L98Very high93.3Very high30 Ų3066.7 Ų66.716%0.15732%0.324CS..EExtended strand (participates in β ladder)trans-117.1145170.2-65.7165.4000109E40 H81 Q82 F121E40-L42 WeakPolarHBondContact OE1-CD1 3.4Å; L42-H81 CarbonylContact C-O 3.55Å; L42-H81 WeakPolarHBondContact CA-O 3.34Å; L42-Q82 HydrophobicContact CD2-CB 3.97Å; L42-F121 HydrophobicContact CB-CB 4.15Å; L42-F121 PolarHBondContact N-O 2.93Å; L42-F121 PolarHBondContact O-N 2.81Å
43I98Very high93.1Very high0 Ų063.5 Ų63.50%030%0.296CS..EExtended strand (participates in β ladder)trans-125.8151.7173.868168.6000111.2V41 L57 F80 H81 P83 L89 M92 F118 Q119 I120V41-I43 HydrophobicContact CG1-CG2 4.43Å; I43-L57 HydrophobicContact CD1-CD1 4.02Å; I43-L57 HydrophobicContact CG1-CD1 4.2Å; I43-F80 CarbonylContact O-C 3.59Å; I43-F80 VanDerWaalsContact O-CA 3.31Å; I43-F80 WeakPolarHBondContact O-CA 3.36Å; I43-H81 HydrophobicContact CG1-CB 4.03Å; I43-H81 PolarHBondContact N-O 3.24Å; I43-H81 PolarHBondContact O-N 2.87Å; I43-P83 HydrophobicContact CD1-CG 4.49Å; I43-P83 HydrophobicContact CG1-CG 4.46Å; I43-P83 HydrophobicContact CG2-CG 4.04Å; I43-L89 HydrophobicContact CD1-CG 4.31Å; I43-L89 HydrophobicContact CG2-CD1 3.63Å; I43-L89 HydrophobicContact CG2-CG 4.04Å; I43-M92 HydrophobicContact CD1-CB 3.8Å; I43-M92 HydrophobicContact CD1-CG 4.31Å; I43-M92 HydrophobicContact CD1-SD 3.52Å; I43-M92 VanDerWaalsContact CD1-SD 3.52Å; I43-M92 HydrophobicContact CG1-SD 4.24Å; I43-F118 HydrophobicContact CB-CE2 4.37Å; I43-F118 HydrophobicContact CB-CZ 4.16Å; I43-F118 HydrophobicContact CD1-CE2 3.99Å; I43-F118 HydrophobicContact CD1-CZ 3.98Å; I43-F118 HydrophobicContact CG2-CZ 4.08Å; I43-Q119 VanDerWaalsContact CA-O 3.24Å; I43-Q119 WeakPolarHBondContact CA-O 3.49Å; I43-I120 HydrophobicContact CG2-CG1 4.25Å; I43-I120 HydrophobicContact CG2-CG2 4.41Å
44S97.4Very high93.1Very high0 Ų059.4 Ų59.40%028%0.282CS..EExtended strand (participates in β ladder)trans-137.7144163.964.80000108.8S79 Q119S44-S79 VanDerWaalsContact CB-O 3.3Å; S44-S79 WeakPolarHBondContact CB-O 3.09Å; S44-Q119 PolarHBondContact N-O 2.8Å; S44-Q119 PolarHBondContact O-N 2.92Å; S44-Q119 PolarHBondContact OG-OE1 3.36Å
45Y96.5Very high93.2Very high1 Ų155 Ų550%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-131.4121.1177.4-162.9-169.6000109.8L56 L93 N97 A116 I117 F118Y45-L56 HydrophobicContact CD1-CB 3.96Å; Y45-L56 HydrophobicContact CD1-CD1 3.9Å; Y45-L56 HydrophobicContact CD2-CD1 3.77Å; Y45-L56 HydrophobicContact CE1-CD1 3.79Å; Y45-L56 HydrophobicContact CE2-CD1 3.71Å; Y45-L56 HydrophobicContact CG-CB 4.02Å; Y45-L56 HydrophobicContact CG-CD1 3.88Å; Y45-L56 PolarHBondContact O-N 3.27Å; Y45-L93 HydrophobicContact CD1-CD1 4.37Å; Y45-L93 HydrophobicContact CE1-CD1 3.83Å; Y45-N97 PolarHBondContact OH-OD1 3.24Å; Y45-A116 HydrophobicContact CE2-CB 3.9Å; Y45-I117 WeakPolarHBondContact CD2-O 3.4Å; Y45-F118 HydrophobicContact CD1-CD2 4Å; Y45-F118 HydrophobicContact CD2-CB 3.83Å; Y45-F118 AromaticContact CD2-CD2 3.8Å; Y45-F118 HydrophobicContact CD2-CD2 3.8Å; Y45-F118 HydrophobicContact CD2-CG 4.34Å; Y45-F118 HydrophobicContact CE2-CB 3.86Å; Y45-F118 HydrophobicContact CE2-CD2 4.34Å; Y45-F118 AromaticContact CG-CD2 3.61Å; Y45-F118 HydrophobicContact CG-CD2 3.61Å; Y45-F118 HydrophobicContact CG-CE2 4.37Å
46L95Very high93.3Very high11 Ų1147 Ų476%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-130.9158.4178.768.7121.8000111.9V48 I53 H54 L78 I117L46-V48 HydrophobicContact CD1-CG2 4.12Å; L46-I53 HydrophobicContact CB-CG2 4.21Å; L46-I53 HydrophobicContact CD1-CG2 3.77Å; L46-H54 CarbonylContact C-O 3.56Å; L46-H54 WeakPolarHBondContact CA-O 3.24Å; L46-H54 WeakPolarHBondContact CB-O 3.35Å; L46-L78 HydrophobicContact CB-CD1 3.89Å; L46-L78 HydrophobicContact CD2-CD1 4.24Å; L46-L78 HydrophobicContact CD2-CD2 3.79Å; L46-I117 HydrophobicContact CD1-CB 4.45Å; L46-I117 HydrophobicContact CD1-CD1 3.97Å; L46-I117 HydrophobicContact CD2-CB 4.36Å; L46-I117 HydrophobicContact CD2-CG2 4.46Å; L46-I117 HydrophobicContact CG-CB 4.09Å; L46-I117 HydrophobicContact CG-CD1 4.4Å; L46-I117 PolarHBondContact N-O 2.88Å; L46-I117 VanDerWaalsContact N-O 3.15Å; L46-I117 PolarHBondContact O-N 2.67Å
47E93.1Very high93.5Very high0 Ų041 Ų410%020%0.196CC..EExtended strand (participates in β ladder)trans-115.6139.9169.6178.6178.6-14900109.5I53 H54 L56 R100 H103 S114 H115E47-I53 CarbonylContact O-C 3.53Å; E47-I53 WeakPolarHBondContact O-CA 3.39Å; E47-H54 PolarHBondContact N-O 3.11Å; E47-H54 PolarHBondContact O-N 3.06Å; E47-L56 HydrophobicContact CB-CD1 4.03Å; E47-L56 HydrophobicContact CB-CD2 3.86Å; E47-L56 HydrophobicContact CB-CG 4Å; E47-R100 WeakPolarHBondContact OE1-CG 3.38Å; E47-H103 IonicContact OE1-CD2 2.7Å; E47-H103 IonicContact OE1-NE2 2.73Å; E47-H103 IonicContact OE2-CD2 3.48Å; E47-H103 PolarHBondContact OE2-CD2 3.31Å; E47-H103 IonicContact OE2-CE1 3.14Å; E47-H103 IonicContact OE2-NE2 3.76Å; E47-H103 PolarHBondContact OE2-NE2 3.11Å; E47-S114 WeakPolarHBondContact OE1-CB 3.23Å; E47-S114 PolarHBondContact OE1-OG 2.87Å; E47-H115 CarbonylContact C-O 3.54Å; E47-H115 VanDerWaalsContact CA-O 3.26Å; E47-H115 WeakPolarHBondContact CA-O 3.49Å
48V91.8Very high93.7Very high44 Ų4442.6 Ų42.627%0.26720%0.204SC..EExtended strand (participates in β ladder)trans-102.8108.7161.6-175.90000106.8L46 Q52 I53 H115 I117L46-V48 HydrophobicContact CD1-CG2 4.12Å; V48-Q52 WeakPolarHBondContact CA-O 3.31Å; V48-I53 HydrophobicContact CG2-CG1 4.42Å; V48-H115 HydrophobicContact CB-CB 4.32Å; V48-H115 PolarHBondContact N-O 3.46Å; V48-H115 PolarHBondContact O-N 3.44Å; V48-I117 HydrophobicContact CG2-CD1 3.79Å
49Y88.2Confident93.4Very high61 Ų6141 Ų4124%0.23921%0.205CC..EExtended strand (participates in β ladder)trans-124.5122.9179.3177.3-101.8000109E51 Q52 R113Y49-E51 PolarHBondContact O-N 3.05Å; Y49-Q52 PolarHBondContact N-O 3.04Å; Y49-Q52 WeakPolarHBondContact O-CB 3.31Å; Y49-Q52 PolarHBondContact O-N 3.5Å; Y49-R113 HydrophobicContact CD2-CB 4.48Å; Y49-R113 HydrophobicContact CE2-CB 4.3Å
50N84.1Confident92.9Very high95 Ų9546.7 Ų46.751%0.50823%0.229SC..THydrogen-bonded Turntrans48.746.4-179.4-163.454.1000113Q52N50-Q52 PolarHBondContact O-N 3.48Å
51E84.9Confident92.5Very high191 Ų19145.6 Ų45.689%0.89323%0.233SC*.THydrogen-bonded Turntrans644-177.2-51.8-173.6123.400115.8Y49Y49-E51 PolarHBondContact O-N 3.05Å
52Q89.4Confident92.2Very high95 Ų9548.8 Ų48.844%0.44425%0.254SS..EExtended strand (participates in β ladder)trans-99.4141.5174.2-63-173.4-20.900110.8V48 Y49 N50 H54 P62V48-Q52 WeakPolarHBondContact CA-O 3.31Å; Y49-Q52 PolarHBondContact N-O 3.04Å; Y49-Q52 WeakPolarHBondContact O-CB 3.31Å; Y49-Q52 PolarHBondContact O-N 3.5Å; N50-Q52 PolarHBondContact O-N 3.48Å; Q52-H54 WeakPolarHBondContact CB-NE2 3.41Å; Q52-P62 HydrophobicContact CB-CB 4.15Å; Q52-P62 HydrophobicContact CG-CB 4.47Å
53I93.2Very high92Very high11 Ų1148.9 Ų48.96%0.05626%0.255CS..EExtended strand (participates in β ladder)trans-92.9130.5175.9-60.9-177.4000109.3L46 E47 V48 P62 L63 I65 V75L46-I53 HydrophobicContact CB-CG2 4.21Å; L46-I53 HydrophobicContact CD1-CG2 3.77Å; E47-I53 CarbonylContact O-C 3.53Å; E47-I53 WeakPolarHBondContact O-CA 3.39Å; V48-I53 HydrophobicContact CG2-CG1 4.42Å; I53-P62 CarbonylContact O-C 3.55Å; I53-P62 VanDerWaalsContact O-CA 3.3Å; I53-P62 WeakPolarHBondContact O-CA 3.35Å; I53-L63 HydrophobicContact CB-CB 4.17Å; I53-L63 HydrophobicContact CG2-CB 4.11Å; I53-L63 HydrophobicContact CG2-CD1 4.35Å; I53-L63 PolarHBondContact O-N 3.07Å; I53-I65 HydrophobicContact CD1-CD1 3.72Å; I53-I65 HydrophobicContact CD1-CG1 3.33Å; I53-I65 HydrophobicContact CG1-CG1 4.41Å; I53-V75 HydrophobicContact CD1-CG1 4.12Å; I53-V75 HydrophobicContact CD1-CG2 3.7Å; I53-V75 HydrophobicContact CG2-CG1 3.99Å
54H93.7Very high91.8Very high34 Ų3452.8 Ų52.816%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-122.5135.2174.7-61.6-89.1000110.1L46 E47 Q52L46-H54 CarbonylContact C-O 3.56Å; L46-H54 WeakPolarHBondContact CA-O 3.24Å; L46-H54 WeakPolarHBondContact CB-O 3.35Å; E47-H54 PolarHBondContact N-O 3.11Å; E47-H54 PolarHBondContact O-N 3.06Å; Q52-H54 WeakPolarHBondContact CB-NE2 3.41Å
55D95.5Very high91.5Very high9 Ų957.9 Ų57.95%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-76.3124.6168.5-167.5-41.5000109.6L57 E58 P59 L63 L78 S79D55-L57 WeakPolarHBondContact OD1-CA 3.29Å; D55-L57 PolarHBondContact OD1-N 3.04Å; D55-E58 PolarHBondContact OD1-N 3.48Å; D55-P59 WeakPolarHBondContact O-CA 3.42Å; D55-L63 HydrophobicContact CB-CD1 4.14Å; D55-L78 HydrophobicContact CB-CD1 4.43Å; D55-S79 VanDerWaalsContact CG-OG 3.24Å; D55-S79 PolarHBondContact OD1-OG 2.92Å; D55-S79 VanDerWaalsContact OD1-OG 3.13Å; D55-S79 WeakPolarHBondContact OD2-CA 3.37Å; D55-S79 WeakPolarHBondContact OD2-CB 3.19Å; D55-S79 PolarHBondContact OD2-N 2.84Å; D55-S79 PolarHBondContact OD2-OG 2.87Å
56L95.1Very high91.2Very high4 Ų465.3 Ų65.32%0.02133%0.333CS..SBendtrans-89.8-15.4-179.2-66.1-179.9000113Y45 E47 G96 S99 R100Y45-L56 HydrophobicContact CD1-CB 3.96Å; Y45-L56 HydrophobicContact CD1-CD1 3.9Å; Y45-L56 HydrophobicContact CD2-CD1 3.77Å; Y45-L56 HydrophobicContact CE1-CD1 3.79Å; Y45-L56 HydrophobicContact CE2-CD1 3.71Å; Y45-L56 HydrophobicContact CG-CB 4.02Å; Y45-L56 HydrophobicContact CG-CD1 3.88Å; Y45-L56 PolarHBondContact O-N 3.27Å; E47-L56 HydrophobicContact CB-CD1 4.03Å; E47-L56 HydrophobicContact CB-CD2 3.86Å; E47-L56 HydrophobicContact CB-CG 4Å; L56-G96 VanDerWaalsContact O-CA 3.3Å; L56-G96 WeakPolarHBondContact O-CA 3.47Å; L56-S99 PolarHBondContact O-OG 3.49Å; L56-R100 HydrophobicContact CD1-CB 4.26Å; L56-R100 HydrophobicContact CD2-CB 3.94Å
57L95.8Very high90.9Very high4 Ų473 Ų732%0.02137%0.369CS..SBendtrans-96.5-34.3178.4-63.2179.2000112I43 D55 H81 M92 R95I43-L57 HydrophobicContact CD1-CD1 4.02Å; I43-L57 HydrophobicContact CG1-CD1 4.2Å; D55-L57 WeakPolarHBondContact OD1-CA 3.29Å; D55-L57 PolarHBondContact OD1-N 3.04Å; L57-H81 VanDerWaalsContact CD1-CD2 3.44Å; L57-H81 WeakPolarHBondContact CD1-CD2 3.49Å; L57-M92 HydrophobicContact CD2-CB 4.04Å; L57-M92 WeakPolarHBondContact CD2-O 3.37Å; L57-R95 PolarHBondContact O-NH2 2.76Å
58E94.8Very high90.8Very high75 Ų7575.2 Ų75.235%0.3538%0.38SS..SBendtrans-125.375.8171.2-70.2-170.5-166.800111.1D55 K60 H81D55-E58 PolarHBondContact OD1-N 3.48Å; E58-K60 PolarHBondContact O-N 3.36Å; E58-K60 VanDerWaalsContact O-N 3.11Å; E58-K60 IonicContact OE2-NZ 2.74Å; E58-K60 PolarHBondContact OE2-NZ 3.2Å; E58-H81 IonicContact OE1-CE1 3.37Å; E58-H81 PolarHBondContact OE1-CE1 2.63Å; E58-H81 IonicContact OE1-NE2 3.18Å
59P87.8Confident90.5Very high83 Ų8379.2 Ų79.254%0.53941%0.408SS..  trans-60118.3-179.4-21.733.3000111D55D55-P59 WeakPolarHBondContact O-CA 3.42Å
60K84.8Confident90.4Very high163 Ų16383.7 Ų83.771%0.70944%0.436SS*.  trans-128.1-105.8175.7-66.8170.4-169157.40108.5E58E58-K60 PolarHBondContact O-N 3.36Å; E58-K60 VanDerWaalsContact O-N 3.11Å; E58-K60 IonicContact OE2-NZ 2.74Å; E58-K60 PolarHBondContact OE2-NZ 3.2Å
61G87.4Confident90.2Very high36 Ų3686.9 Ų86.937%0.37145%0.445SS..SBendtrans-121.5-179.8171.700000111.2L63G61-L63 PolarHBondContact O-N 2.92Å
62P92.1Very high90.3Very high77 Ų7779.5 Ų79.550%0.542%0.42SS..PPolyproline II helixtrans-61.5136.7176.626.4-33.6000110.9Q52 I53Q52-P62 HydrophobicContact CB-CB 4.15Å; Q52-P62 HydrophobicContact CG-CB 4.47Å; I53-P62 CarbonylContact O-C 3.55Å; I53-P62 VanDerWaalsContact O-CA 3.3Å; I53-P62 WeakPolarHBondContact O-CA 3.35Å
63L94.6Very high90Very high33 Ų3379.9 Ų79.917%0.17343%0.429CS..BIsolated β-bridgetrans-93153.6176.7-56.9-179.4000110.4I53 D55 G61 V75 L78I53-L63 HydrophobicContact CB-CB 4.17Å; I53-L63 HydrophobicContact CG2-CB 4.11Å; I53-L63 HydrophobicContact CG2-CD1 4.35Å; I53-L63 PolarHBondContact O-N 3.07Å; D55-L63 HydrophobicContact CB-CD1 4.14Å; G61-L63 PolarHBondContact O-N 2.92Å; L63-V75 HydrophobicContact CB-CG1 3.63Å; L63-V75 HydrophobicContact CD1-CG1 3.81Å; L63-V75 HydrophobicContact CG-CG1 4.39Å; L63-L78 HydrophobicContact CD1-CB 4.04Å; L63-L78 HydrophobicContact CD1-CD1 4.19Å
64T92.9Very high89.9Confident81 Ų8181.4 Ų81.450%0.49744%0.438SS..PPolyproline II helixtrans-102.4150.5178.755.40000110.7P76T64-P76 VanDerWaalsContact O-CD 3.23Å; T64-P76 WeakPolarHBondContact O-CD 3.48Å
65I90.4Very high89.8Confident107 Ų10781.4 Ų81.455%0.54944%0.441SS..PPolyproline II helixtrans-89.7140.7171.1-59.8176.3000108.7I53 V73I53-I65 HydrophobicContact CD1-CD1 3.72Å; I53-I65 HydrophobicContact CD1-CG1 3.33Å; I53-I65 HydrophobicContact CG1-CG1 4.41Å; I65-V73 HydrophobicContact CG2-CG1 3.28Å
66R90.2Very high89.7Confident157 Ų15783.3 Ų83.359%0.59245%0.453SS*.EExtended strand (participates in β ladder)trans-135157.1170.9-61.6-166.3-173.8175.8-5110.9V73 V74 P76R66-V73 CarbonylContact O-C 3.54Å; R66-V73 WeakPolarHBondContact O-CA 3.4Å; R66-V74 HydrophobicContact CB-CG2 4.07Å; R66-V74 PolarHBondContact N-O 2.89Å; R66-V74 WeakPolarHBondContact O-CG2 3.43Å; R66-V74 PolarHBondContact O-N 2.85Å; R66-V74 VanDerWaalsContact O-O 3.12Å; R66-P76 HydrophobicContact CB-CG 4.14Å; R66-P76 HydrophobicContact CG-CG 3.79Å
67E90Very high89.6Confident173 Ų17385.8 Ų85.881%0.80848%0.48SS*.EExtended strand (participates in β ladder)trans-96.9129.3169.4-67.4-179.6178.500109.4
68D89.9Confident89.6Confident46 Ų4686.5 Ų86.525%0.24648%0.484CS..EExtended strand (participates in β ladder)trans-107.4131171.7-179.1-74.5000108.3D70 K71 G72 V74D68-D70 PolarHBondContact O-N 2.89Å; D68-D70 PolarHBondContact OD1-N 2.61Å; D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 PolarHBondContact O-N 3.13Å; D68-K71 WeakPolarHBondContact OD1-CB 3.46Å; D68-K71 WeakPolarHBondContact OD1-CG 3.13Å; D68-K71 PolarHBondContact OD1-N 2.88Å; D68-G72 WeakPolarHBondContact CB-O 3.47Å; D68-G72 PolarHBondContact N-O 2.96Å; D68-G72 VanDerWaalsContact O-CA 3.31Å; D68-G72 WeakPolarHBondContact O-CA 3.38Å; D68-G72 PolarHBondContact O-N 2.73Å; D68-V74 HydrophobicContact CB-CG1 3.9Å; D68-V74 HydrophobicContact CB-CG2 4.08Å
69P86.3Confident89.7Confident129 Ų12983.4 Ų83.484%0.83847%0.471SS*.THydrogen-bonded Turntrans-58-30.6-176.2-2634.4000114.6
70D86.2Confident90.1Very high155 Ų15584.6 Ų84.683%0.82947%0.468SS*.THydrogen-bonded Turntrans-101.8-31.9-174.9-61.1-47.5000112D68D68-D70 PolarHBondContact O-N 2.89Å; D68-D70 PolarHBondContact OD1-N 2.61Å
71K79.6Confident90.7Very high162 Ų16278.2 Ų78.270%0.70444%0.44SS*.THydrogen-bonded Turntrans-104.7-7.4-172.6-58.1172.1-172167.20113.5D68 V74D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 PolarHBondContact O-N 3.13Å; D68-K71 WeakPolarHBondContact OD1-CB 3.46Å; D68-K71 WeakPolarHBondContact OD1-CG 3.13Å; D68-K71 PolarHBondContact OD1-N 2.88Å; K71-V74 HydrophobicContact CB-CG1 3.99Å
72G85.8Confident91.2Very high36 Ų3682.5 Ų82.537%0.37145%0.451SS..EExtended strand (participates in β ladder)trans70.6-141.3-174.300000111.8D68 V74D68-G72 WeakPolarHBondContact CB-O 3.47Å; D68-G72 PolarHBondContact N-O 2.96Å; D68-G72 VanDerWaalsContact O-CA 3.31Å; D68-G72 WeakPolarHBondContact O-CA 3.38Å; D68-G72 PolarHBondContact O-N 2.73Å; G72-V74 PolarHBondContact O-N 2.84Å
73V84.3Confident91.5Very high102 Ų10279.1 Ų79.162%0.61843%0.429SS*.EExtended strand (participates in β ladder)trans-70.5120.8-176.6-177.20000111.1I65 R66I65-V73 HydrophobicContact CG2-CG1 3.28Å; R66-V73 CarbonylContact O-C 3.54Å; R66-V73 WeakPolarHBondContact O-CA 3.4Å
74V89.8Confident91.5Very high43 Ų4382 Ų8226%0.26146%0.457SS..EExtended strand (participates in β ladder)trans-121.4156.7178.6-61.80000111.4R66 D68 K71 G72 P76R66-V74 HydrophobicContact CB-CG2 4.07Å; R66-V74 PolarHBondContact N-O 2.89Å; R66-V74 WeakPolarHBondContact O-CG2 3.43Å; R66-V74 PolarHBondContact O-N 2.85Å; R66-V74 VanDerWaalsContact O-O 3.12Å; D68-V74 HydrophobicContact CB-CG1 3.9Å; D68-V74 HydrophobicContact CB-CG2 4.08Å; K71-V74 HydrophobicContact CB-CG1 3.99Å; G72-V74 PolarHBondContact O-N 2.84Å; V74-P76 HydrophobicContact CG2-CG 4.49Å
75V92.9Very high91.6Very high34 Ų3479.9 Ų79.921%0.20645%0.446CS..  trans-118.591.6175.3-176.10000108I53 L63 G77 L78I53-V75 HydrophobicContact CD1-CG1 4.12Å; I53-V75 HydrophobicContact CD1-CG2 3.7Å; I53-V75 HydrophobicContact CG2-CG1 3.99Å; L63-V75 HydrophobicContact CB-CG1 3.63Å; L63-V75 HydrophobicContact CD1-CG1 3.81Å; L63-V75 HydrophobicContact CG-CG1 4.39Å; V75-G77 PolarHBondContact O-N 2.86Å; V75-L78 HydrophobicContact CB-CB 4.12Å; V75-L78 HydrophobicContact CB-CD2 4.45Å; V75-L78 HydrophobicContact CG1-CB 4.09Å; V75-L78 VanDerWaalsContact O-CB 3.31Å; V75-L78 WeakPolarHBondContact O-CB 3.38Å; V75-L78 PolarHBondContact O-N 3.15Å
76P92.1Very high91.9Very high49 Ų4975 Ų7532%0.31842%0.422SS..THydrogen-bonded Turntrans-59.3135.3178-22.233.3000111.3T64 R66 V74 L78T64-P76 VanDerWaalsContact O-CD 3.23Å; T64-P76 WeakPolarHBondContact O-CD 3.48Å; R66-P76 HydrophobicContact CB-CG 4.14Å; R66-P76 HydrophobicContact CG-CG 3.79Å; V74-P76 HydrophobicContact CG2-CG 4.49Å; P76-L78 VanDerWaalsContact C-N 3.32Å
77G93.3Very high92.2Very high57 Ų5773 Ų7359%0.58842%0.419SS*.THydrogen-bonded Turntrans86.6-4.4-178.300000114.7V75 S79V75-G77 PolarHBondContact O-N 2.86Å; G77-S79 PolarHBondContact O-N 2.93Å
78L95.8Very high92.5Very high18 Ų1868 Ų689%0.09440%0.396CS..  trans-63.8125.4168.2-177.264.8000109.4L46 D55 L63 V75 P76 F80L46-L78 HydrophobicContact CB-CD1 3.89Å; L46-L78 HydrophobicContact CD2-CD1 4.24Å; L46-L78 HydrophobicContact CD2-CD2 3.79Å; D55-L78 HydrophobicContact CB-CD1 4.43Å; L63-L78 HydrophobicContact CD1-CB 4.04Å; L63-L78 HydrophobicContact CD1-CD1 4.19Å; V75-L78 HydrophobicContact CB-CB 4.12Å; V75-L78 HydrophobicContact CB-CD2 4.45Å; V75-L78 HydrophobicContact CG1-CB 4.09Å; V75-L78 VanDerWaalsContact O-CB 3.31Å; V75-L78 WeakPolarHBondContact O-CB 3.38Å; V75-L78 PolarHBondContact O-N 3.15Å; P76-L78 VanDerWaalsContact C-N 3.32Å; L78-F80 HydrophobicContact CD2-CZ 4.49Å; L78-F80 VanDerWaalsContact O-CD2 3.31Å; L78-F80 WeakPolarHBondContact O-CD2 3.42Å; L78-F80 WeakPolarHBondContact O-CE2 3.31Å
79S97Very high92.8Very high11 Ų1165.9 Ų65.98%0.07738%0.384CS..  trans-76.4145-179.470.60000111.5S44 D55 G77 H81S44-S79 VanDerWaalsContact CB-O 3.3Å; S44-S79 WeakPolarHBondContact CB-O 3.09Å; D55-S79 VanDerWaalsContact CG-OG 3.24Å; D55-S79 PolarHBondContact OD1-OG 2.92Å; D55-S79 VanDerWaalsContact OD1-OG 3.13Å; D55-S79 WeakPolarHBondContact OD2-CA 3.37Å; D55-S79 WeakPolarHBondContact OD2-CB 3.19Å; D55-S79 PolarHBondContact OD2-N 2.84Å; D55-S79 PolarHBondContact OD2-OG 2.87Å; G77-S79 PolarHBondContact O-N 2.93Å; S79-H81 WeakPolarHBondContact CB-NE2 3.3Å; S79-H81 PolarHBondContact OG-NE2 2.9Å
80F96.9Very high93.2Very high107 Ų10760.7 Ų60.747%0.46935%0.349SS..  trans-123.2132.8174.5-69.3-96.9000108.4I43 L78 F121I43-F80 CarbonylContact O-C 3.59Å; I43-F80 VanDerWaalsContact O-CA 3.31Å; I43-F80 WeakPolarHBondContact O-CA 3.36Å; L78-F80 HydrophobicContact CD2-CZ 4.49Å; L78-F80 VanDerWaalsContact O-CD2 3.31Å; L78-F80 WeakPolarHBondContact O-CD2 3.42Å; L78-F80 WeakPolarHBondContact O-CE2 3.31Å; F80-F121 HydrophobicContact CD1-CD2 4.4Å; F80-F121 HydrophobicContact CD1-CE2 4.18Å; F80-F121 HydrophobicContact CE1-CD2 4.16Å; F80-F121 AromaticContact CE1-CE2 3.57Å; F80-F121 HydrophobicContact CE1-CE2 3.57Å; F80-F121 AromaticContact CE1-CZ 3.81Å; F80-F121 HydrophobicContact CE1-CZ 3.81Å
81H98Very high93.6Very high30 Ų3059.9 Ų59.914%0.13934%0.341CS..BIsolated β-bridgetrans-123.8144.2-176.5-61-92.7000109.8L42 I43 L57 E58 S79 P83 M92L42-H81 CarbonylContact C-O 3.55Å; L42-H81 WeakPolarHBondContact CA-O 3.34Å; I43-H81 HydrophobicContact CG1-CB 4.03Å; I43-H81 PolarHBondContact N-O 3.24Å; I43-H81 PolarHBondContact O-N 2.87Å; L57-H81 VanDerWaalsContact CD1-CD2 3.44Å; L57-H81 WeakPolarHBondContact CD1-CD2 3.49Å; E58-H81 IonicContact OE1-CE1 3.37Å; E58-H81 PolarHBondContact OE1-CE1 2.63Å; E58-H81 IonicContact OE1-NE2 3.18Å; S79-H81 WeakPolarHBondContact CB-NE2 3.3Å; S79-H81 PolarHBondContact OG-NE2 2.9Å; H81-P83 WeakPolarHBondContact O-CD 3.26Å; H81-M92 HydrophobicContact CB-CE 4.11Å; H81-M92 HydrophobicContact CB-SD 3.8Å
82Q98Very high94.4Very high125 Ų12553.2 Ų53.258%0.58431%0.312SS*.  trans-107.892.4179.3-175.5172.1-3.800109.8V41 L42V41-Q82 WeakPolarHBondContact O-CG 3.44Å; L42-Q82 HydrophobicContact CD2-CB 3.97Å
83P97.4Very high94.8Very high7 Ų751.9 Ų51.95%0.04530%0.297CS..  trans-68.7131.417525.4-31.6000111.1Y27 V41 I43 H81 S85 Q88 L89 M92Y27-P83 WeakPolarHBondContact OH-CG 3.44Å; Y27-P83 PolarHBondContact OH-O 2.89Å; V41-P83 HydrophobicContact CG1-CG 4.21Å; I43-P83 HydrophobicContact CD1-CG 4.49Å; I43-P83 HydrophobicContact CG1-CG 4.46Å; I43-P83 HydrophobicContact CG2-CG 4.04Å; H81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-S85 VanDerWaalsContact C-N 3.34Å; P83-Q88 HydrophobicContact CB-CB 4.31Å; P83-L89 HydrophobicContact CB-CB 3.84Å; P83-L89 HydrophobicContact CG-CB 3.93Å; P83-L89 HydrophobicContact CG-CD1 4.1Å; P83-L89 HydrophobicContact CG-CG 4.2Å; P83-M92 HydrophobicContact CB-SD 4.47Å
84A94.6Very high95.1Very high92 Ų9251.1 Ų51.176%0.7629%0.292SS*.SBendtrans-75.4-21.2177.100000113.1
85S96.1Very high95.2Very high38 Ų3854.5 Ų54.527%0.26630%0.3SS..SBendtrans-150.4170.5179.381.80000112.4Y27 P83 E87 Q88 L89Y27-S85 VanDerWaalsContact CE1-C 3.48Å; P83-S85 VanDerWaalsContact C-N 3.34Å; S85-E87 VanDerWaalsContact C-N 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.17Å; S85-E87 PolarHBondContact O-N 3.12Å; S85-E87 PolarHBondContact OG-N 2.94Å; S85-E87 PolarHBondContact OG-OE2 3.21Å; S85-Q88 PolarHBondContact O-N 3.49Å; S85-Q88 PolarHBondContact OG-N 3.25Å; S85-L89 PolarHBondContact O-N 3.22Å; S85-L89 VanDerWaalsContact O-N 3.12Å
86A95.9Very high95.2Very high5 Ų552.9 Ų52.94%0.04129%0.29CS..Hα-helixtrans-59-42.2173.900000111.4T23 M24 Y27 Q88 L89 L90T23-A86 HydrophobicContact CG2-CB 4.16Å; M24-A86 HydrophobicContact SD-CB 3.82Å; Y27-A86 HydrophobicContact CD1-CB 4.34Å; Y27-A86 HydrophobicContact CD2-CB 3.74Å; Y27-A86 HydrophobicContact CE2-CB 4.36Å; Y27-A86 HydrophobicContact CG-CB 3.72Å; A86-Q88 PolarHBondContact O-N 2.85Å; A86-L89 WeakPolarHBondContact O-CB 3.2Å; A86-L89 PolarHBondContact O-N 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 2.69Å
87E95.4Very high94.9Very high115 Ų11552.1 Ų52.154%0.53728%0.283SS..Hα-helixtrans-62.1-44.3-179.9-59.470.1-151.400110.8S85 L89 L90 E91S85-E87 VanDerWaalsContact C-N 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.17Å; S85-E87 PolarHBondContact O-N 3.12Å; S85-E87 PolarHBondContact OG-N 2.94Å; S85-E87 PolarHBondContact OG-OE2 3.21Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.12Å; E87-L90 PolarHBondContact O-N 3.33Å; E87-E91 PolarHBondContact O-N 3.46Å
88Q97.3Very high94.6Very high68 Ų6852.7 Ų52.732%0.31828%0.278SS..Hα-helixtrans-65.6-37.9177.9-163.9-175.618.400111.5P83 S85 A86 L90 E91 M92P83-Q88 HydrophobicContact CB-CB 4.31Å; S85-Q88 PolarHBondContact O-N 3.49Å; S85-Q88 PolarHBondContact OG-N 3.25Å; A86-Q88 PolarHBondContact O-N 2.85Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; Q88-E91 PolarHBondContact O-N 3.5Å; Q88-M92 HydrophobicContact CG-CE 4.08Å; Q88-M92 VanDerWaalsContact O-CG 3.32Å; Q88-M92 WeakPolarHBondContact O-CG 3.02Å; Q88-M92 PolarHBondContact O-N 3.08Å
89L97Very high94.1Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-61.5-44.5173.7-173.4160.8000111T23 Y27 I43 P83 S85 A86 E87 E91 M92 L93 F118 I120T23-L89 HydrophobicContact CG2-CB 4.18Å; T23-L89 HydrophobicContact CG2-CD1 4.06Å; T23-L89 HydrophobicContact CG2-CD2 3.67Å; T23-L89 HydrophobicContact CG2-CG 4.17Å; Y27-L89 HydrophobicContact CE2-CB 4.39Å; Y27-L89 HydrophobicContact CE2-CD1 3.86Å; I43-L89 HydrophobicContact CD1-CG 4.31Å; I43-L89 HydrophobicContact CG2-CD1 3.63Å; I43-L89 HydrophobicContact CG2-CG 4.04Å; P83-L89 HydrophobicContact CB-CB 3.84Å; P83-L89 HydrophobicContact CG-CB 3.93Å; P83-L89 HydrophobicContact CG-CD1 4.1Å; P83-L89 HydrophobicContact CG-CG 4.2Å; S85-L89 PolarHBondContact O-N 3.22Å; S85-L89 VanDerWaalsContact O-N 3.12Å; A86-L89 WeakPolarHBondContact O-CB 3.2Å; A86-L89 PolarHBondContact O-N 3.46Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.12Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-E91 PolarHBondContact O-N 3.47Å; L89-M92 WeakPolarHBondContact O-CB 3.4Å; L89-M92 PolarHBondContact O-N 3.48Å; L89-L93 PolarHBondContact O-N 3.32Å; L89-F118 HydrophobicContact CD1-CZ 4.48Å; L89-F118 HydrophobicContact CD2-CE1 3.71Å; L89-F118 HydrophobicContact CD2-CZ 3.49Å; L89-F118 VanDerWaalsContact CD2-CZ 3.49Å; L89-F118 HydrophobicContact CG-CE1 4.47Å; L89-F118 HydrophobicContact CG-CZ 4.01Å; L89-I120 HydrophobicContact CD1-CD1 4.14Å
90L94.3Very high93.4Very high20 Ų2053.8 Ų53.811%0.10528%0.283CS..Hα-helixtrans-66.2-35.2178.3-66.9170.5000112.6Y20 T23 M24 A86 E87 Q88 L93 T94Y20-L90 HydrophobicContact CD2-CD1 3.57Å; Y20-L90 HydrophobicContact CD2-CD2 3.73Å; Y20-L90 HydrophobicContact CD2-CG 4.25Å; Y20-L90 HydrophobicContact CE2-CD1 3.39Å; Y20-L90 HydrophobicContact CE2-CD2 4.44Å; Y20-L90 HydrophobicContact CE2-CG 4.5Å; Y20-L90 HydrophobicContact CG-CD1 4.46Å; Y20-L90 HydrophobicContact CG-CD2 4.25Å; T23-L90 HydrophobicContact CG2-CD2 4.12Å; T23-L90 HydrophobicContact CG2-CG 4.09Å; M24-L90 HydrophobicContact SD-CD1 3.96Å; A86-L90 VanDerWaalsContact O-CG 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 2.69Å; E87-L90 PolarHBondContact O-N 3.33Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; L90-L93 HydrophobicContact CD2-CD2 4.45Å; L90-L93 PolarHBondContact O-N 3.11Å; L90-T94 WeakPolarHBondContact O-CB 3.46Å; L90-T94 PolarHBondContact O-N 3.1Å; L90-T94 PolarHBondContact O-OG1 3.07Å
91E95Very high91.9Very high139 Ų13953.9 Ų53.965%0.6529%0.292SS*.Hα-helixtrans-62.5-46.1171.5-174.1-17618000110.8E87 Q88 L89 L93 T94 R95E87-E91 PolarHBondContact O-N 3.46Å; Q88-E91 PolarHBondContact O-N 3.5Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-E91 PolarHBondContact O-N 3.47Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 2.83Å; E91-T94 WeakPolarHBondContact O-CB 3.46Å; E91-T94 PolarHBondContact O-N 3.28Å; E91-R95 PolarHBondContact O-N 3.37Å
92M96.1Very high90.2Very high21 Ų2159.7 Ų59.710%0.10332%0.319CS..Hα-helixtrans-61.7-41.3175.4-68.9-179.1-177.400111.9I43 L57 H81 P83 Q88 L89 T94 R95 G96I43-M92 HydrophobicContact CD1-CB 3.8Å; I43-M92 HydrophobicContact CD1-CG 4.31Å; I43-M92 HydrophobicContact CD1-SD 3.52Å; I43-M92 VanDerWaalsContact CD1-SD 3.52Å; I43-M92 HydrophobicContact CG1-SD 4.24Å; L57-M92 HydrophobicContact CD2-CB 4.04Å; L57-M92 WeakPolarHBondContact CD2-O 3.37Å; H81-M92 HydrophobicContact CB-CE 4.11Å; H81-M92 HydrophobicContact CB-SD 3.8Å; P83-M92 HydrophobicContact CB-SD 4.47Å; Q88-M92 HydrophobicContact CG-CE 4.08Å; Q88-M92 VanDerWaalsContact O-CG 3.32Å; Q88-M92 WeakPolarHBondContact O-CG 3.02Å; Q88-M92 PolarHBondContact O-N 3.08Å; L89-M92 WeakPolarHBondContact O-CB 3.4Å; L89-M92 PolarHBondContact O-N 3.48Å; M92-T94 VanDerWaalsContact C-N 3.34Å; M92-T94 PolarHBondContact O-N 3.38Å; M92-R95 PolarHBondContact O-N 2.87Å; M92-G96 PolarHBondContact O-N 3.18Å
93L92.7Very high88.4Confident9 Ų955.5 Ų55.55%0.04730%0.3CS..Hα-helixtrans-59.2-45.8174.2178.565.9000111.1L10 M19 Y45 L89 L90 E91 G96 N97 F118L10-L93 HydrophobicContact CD2-CD1 4.49Å; L10-L93 HydrophobicContact CD2-CD2 4.45Å; M19-L93 HydrophobicContact CB-CD2 3.83Å; M19-L93 HydrophobicContact SD-CD1 3.71Å; M19-L93 HydrophobicContact SD-CD2 4.11Å; Y45-L93 HydrophobicContact CD1-CD1 4.37Å; Y45-L93 HydrophobicContact CE1-CD1 3.83Å; L89-L93 PolarHBondContact O-N 3.32Å; L90-L93 HydrophobicContact CD2-CD2 4.45Å; L90-L93 PolarHBondContact O-N 3.11Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 2.83Å; L93-G96 PolarHBondContact O-N 3.28Å; L93-N97 VanDerWaalsContact O-CG 3.28Å; L93-N97 PolarHBondContact O-N 3.11Å; L93-N97 PolarHBondContact O-ND2 3.44Å; L93-F118 HydrophobicContact CD1-CD1 4.48Å; L93-F118 HydrophobicContact CD1-CD2 3.88Å; L93-F118 HydrophobicContact CD1-CE2 4.16Å; L93-F118 HydrophobicContact CD1-CG 4.06Å
94T91Very high86.2Confident86 Ų8660.7 Ų60.753%0.52833%0.333SS..Hα-helixtrans-62.3-46177.9-57.20000111.1L90 E91 M92 G96 N97 C98L90-T94 WeakPolarHBondContact O-CB 3.46Å; L90-T94 PolarHBondContact O-N 3.1Å; L90-T94 PolarHBondContact O-OG1 3.07Å; E91-T94 WeakPolarHBondContact O-CB 3.46Å; E91-T94 PolarHBondContact O-N 3.28Å; M92-T94 VanDerWaalsContact C-N 3.34Å; M92-T94 PolarHBondContact O-N 3.38Å; T94-G96 PolarHBondContact O-N 3.22Å; T94-N97 PolarHBondContact O-N 2.85Å; T94-C98 PolarHBondContact O-N 3.33Å; T94-C98 VanDerWaalsContact O-N 3.08Å; T94-C98 PolarHBondContact O-SG 2.84Å
95R92.7Very high83.9Confident114 Ų11461.3 Ų61.343%0.4333%0.328SS..Hα-helixtrans-57.6-48.2175.7-172.3-179.983.3-164.24.4111.7L57 E91 M92 N97 C98 S99L57-R95 PolarHBondContact O-NH2 2.76Å; E91-R95 PolarHBondContact O-N 3.37Å; M92-R95 PolarHBondContact O-N 2.87Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.78Å; R95-C98 WeakPolarHBondContact O-CB 3.35Å; R95-C98 PolarHBondContact O-N 2.69Å; R95-C98 VanDerWaalsContact O-N 3.14Å; R95-S99 PolarHBondContact O-N 3.42Å; R95-S99 PolarHBondContact O-OG 3.43Å
96G92Very high81.4Confident0 Ų066.8 Ų66.80%035%0.354CS..Hα-helixtrans-65.7-33.8-179.700000113.5L56 M92 L93 T94 C98 S99 R100L56-G96 VanDerWaalsContact O-CA 3.3Å; L56-G96 WeakPolarHBondContact O-CA 3.47Å; M92-G96 PolarHBondContact O-N 3.18Å; L93-G96 PolarHBondContact O-N 3.28Å; T94-G96 PolarHBondContact O-N 3.22Å; G96-C98 VanDerWaalsContact C-N 3.35Å; G96-S99 PolarHBondContact O-N 2.83Å; G96-R100 PolarHBondContact O-N 2.75Å
97N86.9Confident78.9Confident32 Ų3271.3 Ų71.317%0.17139%0.392CS..Hα-helixtrans-63.7-39.7171.7-72.1-30.4000112L10 Y45 L93 T94 R95 S99 R100 T101L10-N97 VanDerWaalsContact CD2-ND2 3.33Å; L10-N97 WeakPolarHBondContact CD2-ND2 3.31Å; Y45-N97 PolarHBondContact OH-OD1 3.24Å; L93-N97 VanDerWaalsContact O-CG 3.28Å; L93-N97 PolarHBondContact O-N 3.11Å; L93-N97 PolarHBondContact O-ND2 3.44Å; T94-N97 PolarHBondContact O-N 2.85Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.78Å; N97-S99 VanDerWaalsContact C-N 3.35Å; N97-R100 WeakPolarHBondContact O-CB 3.33Å; N97-R100 PolarHBondContact O-N 3.44Å; N97-T101 PolarHBondContact O-N 3.5Å
98C85.7Confident76.5Confident69 Ų6972.9 Ų72.947%0.46640%0.404SS..Hα-helixtrans-61.9-43.1173.4-66.50000111.2T94 R95 G96 R100 T101T94-C98 PolarHBondContact O-N 3.33Å; T94-C98 VanDerWaalsContact O-N 3.08Å; T94-C98 PolarHBondContact O-SG 2.84Å; R95-C98 WeakPolarHBondContact O-CB 3.35Å; R95-C98 PolarHBondContact O-N 2.69Å; R95-C98 VanDerWaalsContact O-N 3.14Å; G96-C98 VanDerWaalsContact C-N 3.35Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.31Å; C98-T101 PolarHBondContact O-N 2.95Å; C98-T101 VanDerWaalsContact O-N 3.15Å; C98-T101 PolarHBondContact O-OG1 3.25Å
99S85.5Confident74.4Confident25 Ų2572.3 Ų72.318%0.17541%0.411CS..Hα-helixtrans-61.1-39.4176.3-640000112.8L56 R95 G96 N97 T101 Q102L56-S99 PolarHBondContact O-OG 3.49Å; R95-S99 PolarHBondContact O-N 3.42Å; R95-S99 PolarHBondContact O-OG 3.43Å; G96-S99 PolarHBondContact O-N 2.83Å; N97-S99 VanDerWaalsContact C-N 3.35Å; S99-T101 PolarHBondContact O-N 2.46Å; S99-Q102 PolarHBondContact O-N 2.72Å
100R82.4Confident72.4Confident27 Ų2774.7 Ų74.710%0.10243%0.426CS..Hα-helixtrans-57.9-31.1175.8-169.9-174.9174.3-169.5-0.5112.8E47 L56 G96 N97 C98 Q102 S114 A116 D144E47-R100 WeakPolarHBondContact OE1-CG 3.38Å; L56-R100 HydrophobicContact CD1-CB 4.26Å; L56-R100 HydrophobicContact CD2-CB 3.94Å; G96-R100 PolarHBondContact O-N 2.75Å; N97-R100 WeakPolarHBondContact O-CB 3.33Å; N97-R100 PolarHBondContact O-N 3.44Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.31Å; R100-Q102 VanDerWaalsContact C-N 3.32Å; R100-Q102 PolarHBondContact O-N 2.85Å; R100-S114 PolarHBondContact NE-OG 3.45Å; R100-S114 PolarHBondContact NH2-O 2.93Å; R100-S114 PolarHBondContact NH2-OG 3.2Å; R100-A116 VanDerWaalsContact CZ-CB 3.46Å; R100-A116 VanDerWaalsContact NH1-CB 3.33Å; R100-D144 IonicContact CZ-OD2 3.13Å; R100-D144 IonicContact NH1-OD2 3.74Å; R100-D144 PolarHBondContact NH1-OD2 3.43Å; R100-D144 IonicContact NH2-OD2 2.74Å; R100-D144 PolarHBondContact NH2-OD2 3.22Å
101T66.8Low70.8Confident109 Ų10976.7 Ų76.767%0.66944%0.441SS*.THydrogen-bonded Turntrans-81.1-2.5-177.859.20000115.1N97 C98 S99N97-T101 PolarHBondContact O-N 3.5Å; C98-T101 PolarHBondContact O-N 2.95Å; C98-T101 VanDerWaalsContact O-N 3.15Å; C98-T101 PolarHBondContact O-OG1 3.25Å; S99-T101 PolarHBondContact O-N 2.46Å
102Q60.6Low69.4Low152 Ų15270.8 Ų70.871%0.7142%0.415SS*.THydrogen-bonded Turntrans-95.23-171.2-68.9-174-13.900115.7S99 R100S99-Q102 PolarHBondContact O-N 2.72Å; R100-Q102 VanDerWaalsContact C-N 3.32Å; R100-Q102 PolarHBondContact O-N 2.85Å
103H60.3Low68.5Low37 Ų3776.8 Ų76.817%0.17144%0.437CS..SBendtrans-63.5136.8178.6-71.2-64.5000111.8E47 T105E47-H103 IonicContact OE1-CD2 2.7Å; E47-H103 IonicContact OE1-NE2 2.73Å; E47-H103 IonicContact OE2-CD2 3.48Å; E47-H103 PolarHBondContact OE2-CD2 3.31Å; E47-H103 IonicContact OE2-CE1 3.14Å; E47-H103 IonicContact OE2-NE2 3.76Å; E47-H103 PolarHBondContact OE2-NE2 3.11Å; H103-T105 PolarHBondContact O-N 3.43Å
104P52Low68Low116 Ų11676.4 Ų76.475%0.75344%0.435SS*.  trans-55.1116.7179.4-16.224.5000110D106P104-D106 PolarHBondContact O-N 3.43Å
105T47.1Very low67.9Low106 Ų10675.4 Ų75.465%0.6542%0.424SS*.  trans-75.8112.1-178.148.90000110.3H103H103-T105 PolarHBondContact O-N 3.43Å
106D43.6Very low67.8Low152 Ų15270 Ų7081%0.81340%0.404SS*.  trans-67.7139.1134.3-88.7-30.2000106.6P104 N108P104-D106 PolarHBondContact O-N 3.43Å; D106-N108 PolarHBondContact O-N 3.28Å
107A42.2Very low67.9Low100 Ų10071.1 Ų71.183%0.82641%0.409SS*.SBendtrans-62.216.9-163.600000117.1
108N44.5Very low68.4Low148 Ų14869.6 Ų69.679%0.79140%0.401SS*.SBendtrans-129.6110.4-177.7-68.9-46000112.3D106D106-N108 PolarHBondContact O-N 3.28Å
109A53.1Low68.9Low56 Ų5667.4 Ų67.446%0.46338%0.384SS..  trans4973.6152.300000119S111 S112A109-S111 PolarHBondContact O-N 3Å; A109-S112 PolarHBondContact O-N 3Å; A109-S112 PolarHBondContact O-OG 3.37Å
110T56.1Low69.5Low51 Ų5166.3 Ų66.331%0.31338%0.376SS..G310 helixtrans-48.7-27.1167.2-45.70000114S112 S114T110-S112 PolarHBondContact O-N 3.27Å; T110-S114 VanDerWaalsContact O-CB 3.29Å; T110-S114 WeakPolarHBondContact O-CB 3.47Å
111S60.6Low70.2Confident61 Ų6166.7 Ų66.743%0.42738%0.379SS..G310 helixtrans-78.2-12.9-175.767.10000116.3T1 A109 A146 G147T1-S111 WeakPolarHBondContact CG2-OG 3.38Å; A109-S111 PolarHBondContact O-N 3Å; S111-A146 WeakPolarHBondContact O-CA 3.19Å; S111-G147 PolarHBondContact O-N 3.3Å
112S66.1Low71.6Confident16 Ų1662.7 Ų62.711%0.11235%0.354CS..G310 helixtrans-89.4-13.3179.262.40000114.1A109 T110 A146 E149A109-S112 PolarHBondContact O-N 3Å; A109-S112 PolarHBondContact O-OG 3.37Å; T110-S112 PolarHBondContact O-N 3.27Å; S112-A146 VanDerWaalsContact C-CB 3.47Å; S112-A146 WeakPolarHBondContact O-CB 3.26Å; S112-E149 PolarHBondContact OG-OE1 2.69Å
113R76Confident73.3Confident147 Ų14758.3 Ų58.356%0.55533%0.332SS*.SBendtrans-124.45.2-175.8-58.7-175.2-179.4-147.6-1.4114.9Y49Y49-R113 HydrophobicContact CD2-CB 4.48Å; Y49-R113 HydrophobicContact CE2-CB 4.3Å
114S83.1Confident74.9Confident1 Ų158.7 Ų58.71%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-115111.6-176166.70000110.2E47 R100 T110 A146E47-S114 WeakPolarHBondContact OE1-CB 3.23Å; E47-S114 PolarHBondContact OE1-OG 2.87Å; R100-S114 PolarHBondContact NE-OG 3.45Å; R100-S114 PolarHBondContact NH2-O 2.93Å; R100-S114 PolarHBondContact NH2-OG 3.2Å; T110-S114 VanDerWaalsContact O-CB 3.29Å; T110-S114 WeakPolarHBondContact O-CB 3.47Å; S114-A146 WeakPolarHBondContact O-CB 3.38Å
115H89.1Confident76.8Confident65 Ų6556.7 Ų56.730%0.30132%0.315SS..EExtended strand (participates in β ladder)trans-99.9126.8169.6-55.3-93.6000109.2E47 V48 I117 D144 L145 A146E47-H115 CarbonylContact C-O 3.54Å; E47-H115 VanDerWaalsContact CA-O 3.26Å; E47-H115 WeakPolarHBondContact CA-O 3.49Å; V48-H115 HydrophobicContact CB-CB 4.32Å; V48-H115 PolarHBondContact N-O 3.46Å; V48-H115 PolarHBondContact O-N 3.44Å; H115-I117 HydrophobicContact CB-CD1 4.28Å; H115-D144 WeakPolarHBondContact CA-O 3.16Å; H115-L145 HydrophobicContact CB-CD2 4.47Å; H115-L145 WeakPolarHBondContact ND1-CA 3.39Å; H115-L145 VanDerWaalsContact ND1-CD2 3.29Å; H115-L145 WeakPolarHBondContact ND1-CD2 3.48Å; H115-A146 VanDerWaalsContact CE1-CB 3.47Å; H115-A146 WeakPolarHBondContact CE1-CB 3.49Å; H115-A146 PolarHBondContact CE1-N 2.89Å; H115-A146 PolarHBondContact ND1-N 3.39Å
116A90.8Very high78.8Confident0 Ų054.2 Ų54.20%030%0.298CS..EExtended strand (participates in β ladder)trans-104.3132.5175.200000110.7Y45 R100 I143 D144Y45-A116 HydrophobicContact CE2-CB 3.9Å; R100-A116 VanDerWaalsContact CZ-CB 3.46Å; R100-A116 VanDerWaalsContact NH1-CB 3.33Å; A116-I143 CarbonylContact O-C 3.53Å; A116-I143 WeakPolarHBondContact O-CA 3.49Å; A116-D144 HydrophobicContact CB-CB 4.37Å; A116-D144 PolarHBondContact N-O 3.14Å; A116-D144 PolarHBondContact O-N 3.45Å
117I94.1Very high80.8Confident23 Ų2353.6 Ų53.612%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-126.7101.2-177.7-56.996.4000108.7Y45 L46 V48 H115 Q119 I143Y45-I117 WeakPolarHBondContact CD2-O 3.4Å; L46-I117 HydrophobicContact CD1-CB 4.45Å; L46-I117 HydrophobicContact CD1-CD1 3.97Å; L46-I117 HydrophobicContact CD2-CB 4.36Å; L46-I117 HydrophobicContact CD2-CG2 4.46Å; L46-I117 HydrophobicContact CG-CB 4.09Å; L46-I117 HydrophobicContact CG-CD1 4.4Å; L46-I117 PolarHBondContact N-O 2.88Å; L46-I117 VanDerWaalsContact N-O 3.15Å; L46-I117 PolarHBondContact O-N 2.67Å; V48-I117 HydrophobicContact CG2-CD1 3.79Å; H115-I117 HydrophobicContact CB-CD1 4.28Å; I117-Q119 HydrophobicContact CG2-CG 3.82Å; I117-I143 HydrophobicContact CG1-CG1 4.18Å; I117-I143 HydrophobicContact CG1-CG2 4.14Å; I117-I143 HydrophobicContact CG2-CG1 4.1Å
118F95.9Very high82.5Confident0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-92.3121.8173.5-171.3-110.1000109.7M19 I43 Y45 L89 L93 I120 S141 L142M19-F118 HydrophobicContact CE-CB 4.12Å; M19-F118 HydrophobicContact SD-CB 4.37Å; I43-F118 HydrophobicContact CB-CE2 4.37Å; I43-F118 HydrophobicContact CB-CZ 4.16Å; I43-F118 HydrophobicContact CD1-CE2 3.99Å; I43-F118 HydrophobicContact CD1-CZ 3.98Å; I43-F118 HydrophobicContact CG2-CZ 4.08Å; Y45-F118 HydrophobicContact CD1-CD2 4Å; Y45-F118 HydrophobicContact CD2-CB 3.83Å; Y45-F118 AromaticContact CD2-CD2 3.8Å; Y45-F118 HydrophobicContact CD2-CD2 3.8Å; Y45-F118 HydrophobicContact CD2-CG 4.34Å; Y45-F118 HydrophobicContact CE2-CB 3.86Å; Y45-F118 HydrophobicContact CE2-CD2 4.34Å; Y45-F118 AromaticContact CG-CD2 3.61Å; Y45-F118 HydrophobicContact CG-CD2 3.61Å; Y45-F118 HydrophobicContact CG-CE2 4.37Å; L89-F118 HydrophobicContact CD1-CZ 4.48Å; L89-F118 HydrophobicContact CD2-CE1 3.71Å; L89-F118 HydrophobicContact CD2-CZ 3.49Å; L89-F118 VanDerWaalsContact CD2-CZ 3.49Å; L89-F118 HydrophobicContact CG-CE1 4.47Å; L89-F118 HydrophobicContact CG-CZ 4.01Å; L93-F118 HydrophobicContact CD1-CD1 4.48Å; L93-F118 HydrophobicContact CD1-CD2 3.88Å; L93-F118 HydrophobicContact CD1-CE2 4.16Å; L93-F118 HydrophobicContact CD1-CG 4.06Å; F118-I120 HydrophobicContact CD1-CD1 4.3Å; F118-I120 HydrophobicContact CD1-CG1 3.99Å; F118-I120 HydrophobicContact CE1-CD1 3.73Å; F118-I120 HydrophobicContact CE1-CG1 3.53Å; F118-I120 HydrophobicContact CZ-CG1 4.35Å; F118-S141 WeakPolarHBondContact O-CA 3.49Å; F118-L142 HydrophobicContact CB-CB 4.44Å; F118-L142 HydrophobicContact CD1-CD1 4.38Å; F118-L142 PolarHBondContact N-O 3.07Å; F118-L142 PolarHBondContact O-N 3.33Å
119Q96.8Very high83.4Confident23 Ų2351.8 Ų51.811%0.10727%0.27CS..EExtended strand (participates in β ladder)trans-115.4132.9-177.2-56.3-179-21.600110I43 S44 I117 F121 M140I43-Q119 VanDerWaalsContact CA-O 3.24Å; I43-Q119 WeakPolarHBondContact CA-O 3.49Å; S44-Q119 PolarHBondContact N-O 2.8Å; S44-Q119 PolarHBondContact O-N 2.92Å; S44-Q119 PolarHBondContact OG-OE1 3.36Å; I117-Q119 HydrophobicContact CG2-CG 3.82Å; Q119-F121 HydrophobicContact CB-CD2 4.46Å; Q119-F121 HydrophobicContact CB-CE2 3.68Å; Q119-F121 HydrophobicContact CB-CZ 4.22Å; Q119-M140 CarbonylContact C-O 3.59Å; Q119-M140 WeakPolarHBondContact CA-O 3.32Å
120I97.6Very high83.9Confident2 Ų253.3 Ų53.31%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-118.1126.7173.1-51.7-180000107.8L26 V41 I43 L89 F118 V122 K139 M140L26-I120 HydrophobicContact CD2-CD1 4.25Å; L26-I120 HydrophobicContact CD2-CG2 3.78Å; V41-I120 HydrophobicContact CG1-CG2 3.91Å; I43-I120 HydrophobicContact CG2-CG1 4.25Å; I43-I120 HydrophobicContact CG2-CG2 4.41Å; L89-I120 HydrophobicContact CD1-CD1 4.14Å; F118-I120 HydrophobicContact CD1-CD1 4.3Å; F118-I120 HydrophobicContact CD1-CG1 3.99Å; F118-I120 HydrophobicContact CE1-CD1 3.73Å; F118-I120 HydrophobicContact CE1-CG1 3.53Å; F118-I120 HydrophobicContact CZ-CG1 4.35Å; I120-V122 HydrophobicContact CG2-CG2 4.3Å; I120-K139 WeakPolarHBondContact O-CA 3.29Å; I120-M140 HydrophobicContact CB-CE 4.36Å; I120-M140 HydrophobicContact CD1-CE 3.72Å; I120-M140 HydrophobicContact CG1-CE 4.41Å; I120-M140 PolarHBondContact N-O 3.41Å; I120-M140 PolarHBondContact O-N 3.4Å
121F97.2Very high84.3Confident36 Ų3657.4 Ų57.416%0.15831%0.311CS..EExtended strand (participates in β ladder)trans-110.4128.9174.7-57.8-102.1000108.2V41 L42 F80 Q119 A138 K139V41-F121 CarbonylContact C-O 3.6Å; V41-F121 WeakPolarHBondContact CA-O 3.45Å; L42-F121 HydrophobicContact CB-CB 4.15Å; L42-F121 PolarHBondContact N-O 2.93Å; L42-F121 PolarHBondContact O-N 2.81Å; F80-F121 HydrophobicContact CD1-CD2 4.4Å; F80-F121 HydrophobicContact CD1-CE2 4.18Å; F80-F121 HydrophobicContact CE1-CD2 4.16Å; F80-F121 AromaticContact CE1-CE2 3.57Å; F80-F121 HydrophobicContact CE1-CE2 3.57Å; F80-F121 AromaticContact CE1-CZ 3.81Å; F80-F121 HydrophobicContact CE1-CZ 3.81Å; Q119-F121 HydrophobicContact CB-CD2 4.46Å; Q119-F121 HydrophobicContact CB-CE2 3.68Å; Q119-F121 HydrophobicContact CB-CZ 4.22Å; F121-A138 CarbonylContact C-O 3.6Å; F121-A138 VanDerWaalsContact CA-O 3.27Å; F121-A138 WeakPolarHBondContact CA-O 3.33Å; F121-K139 HydrophobicContact CD1-CB 4Å; F121-K139 HydrophobicContact CD1-CD 4.42Å; F121-K139 HydrophobicContact CD1-CG 4.02Å; F121-K139 HydrophobicContact CE1-CB 4.04Å; F121-K139 HydrophobicContact CE1-CD 3.61Å; F121-K139 HydrophobicContact CE1-CG 3.67Å; F121-K139 HydrophobicContact CZ-CD 3.9Å; F121-K139 HydrophobicContact CZ-CG 4.03Å
122V97.4Very high84.4Confident24 Ų2461.4 Ų61.415%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-117.5113.6175.2-177.50000107.3L26 L30 F39 I120 V137 A138L26-V122 HydrophobicContact CD1-CG2 4.12Å; L26-V122 HydrophobicContact CD2-CG2 4.24Å; L30-V122 HydrophobicContact CD2-CG1 4.02Å; F39-V122 HydrophobicContact CD1-CG1 4.09Å; I120-V122 HydrophobicContact CG2-CG2 4.3Å; V122-V137 WeakPolarHBondContact O-CA 3.3Å; V122-A138 PolarHBondContact N-O 3.15Å; V122-A138 PolarHBondContact O-N 2.68Å
123K95.8Very high84.6Confident60 Ų6062.9 Ų62.926%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-91.5131.4166.1-51.5-179.7-171.4152.60108.1F39 E40 L135 R136 V137F39-K123 CarbonylContact C-O 3.56Å; F39-K123 VanDerWaalsContact CA-O 3.27Å; F39-K123 WeakPolarHBondContact CA-O 3.06Å; E40-K123 HydrophobicContact CB-CB 4.13Å; E40-K123 HydrophobicContact CB-CD 4.44Å; E40-K123 VanDerWaalsContact CD-NZ 3.31Å; E40-K123 PolarHBondContact N-O 3Å; E40-K123 PolarHBondContact O-N 3.48Å; E40-K123 IonicContact OE1-NZ 2.73Å; E40-K123 PolarHBondContact OE1-NZ 3.25Å; E40-K123 WeakPolarHBondContact OE2-CD 3.37Å; E40-K123 IonicContact OE2-NZ 3.13Å; E40-K123 PolarHBondContact OE2-NZ 2.86Å; K123-L135 HydrophobicContact CB-CD1 4.22Å; K123-R136 CarbonylContact C-O 3.53Å; K123-R136 VanDerWaalsContact CA-O 3.32Å; K123-R136 WeakPolarHBondContact CA-O 3.21Å; K123-V137 HydrophobicContact CG-CG1 4.34Å; K123-V137 HydrophobicContact CG-CG2 4.11Å
124Q94.2Very high84.7Confident45 Ų4559.5 Ų59.521%0.2134%0.341CS..EExtended strand (participates in β ladder)trans-124.8136.1179178.6-170.7-60.800109.3K37 Q38 F39 R136K37-Q124 HydrophobicContact CB-CG 4.28Å; K37-Q124 HydrophobicContact CD-CG 4.48Å; K37-Q124 HydrophobicContact CG-CG 4.45Å; Q38-Q124 WeakPolarHBondContact O-CA 3.3Å; F39-Q124 HydrophobicContact CD1-CB 3.9Å; F39-Q124 HydrophobicContact CD1-CG 3.92Å; F39-Q124 HydrophobicContact CE1-CB 3.89Å; F39-Q124 HydrophobicContact CE1-CG 3.5Å; F39-Q124 VanDerWaalsContact CE1-CG 3.5Å; F39-Q124 HydrophobicContact CZ-CG 4.3Å; Q124-R136 HydrophobicContact CB-CB 4.42Å; Q124-R136 PolarHBondContact N-O 3.44Å; Q124-R136 PolarHBondContact O-N 3.21Å
125Q92.6Very high85Confident75 Ų7564.4 Ų64.435%0.3537%0.367SS..EExtended strand (participates in β ladder)trans-137.7148.7173.9-179.4169.3-0.800109.8K37 Q38 Q133 L135K37-Q125 CarbonylContact C-O 3.52Å; K37-Q125 VanDerWaalsContact CA-O 3.31Å; K37-Q125 WeakPolarHBondContact CA-O 3.47Å; Q38-Q125 PolarHBondContact N-O 3.38Å; Q38-Q125 PolarHBondContact O-N 3.21Å; Q125-Q133 VanDerWaalsContact CD-OE1 3.27Å; Q125-Q133 HydrophobicContact CG-CB 4.08Å; Q125-L135 HydrophobicContact CB-CD1 4.5Å
126D89.3Confident85.1Confident54 Ų5469.2 Ų69.229%0.28938%0.382SS..EExtended strand (participates in β ladder)trans-76.6154.2178.7-70.22.9000110.5K37 V128 Q133K37-D126 HydrophobicContact CD-CB 4.45Å; K37-D126 WeakPolarHBondContact CD-OD1 3.49Å; K37-D126 VanDerWaalsContact CE-OD1 3.28Å; K37-D126 WeakPolarHBondContact CE-OD1 3.44Å; K37-D126 IonicContact NZ-OD1 2.69Å; K37-D126 PolarHBondContact NZ-OD1 2.85Å; K37-D126 IonicContact NZ-OD2 3.33Å; K37-D126 PolarHBondContact NZ-OD2 2.93Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 HydrophobicContact CB-CG2 4.43Å; D126-Q133 HydrophobicContact CB-CG 4.28Å; D126-Q133 PolarHBondContact O-NE2 2.75Å; D126-Q133 PolarHBondContact O-OE1 3.2Å
127R84Confident85.2Confident138 Ų13873.5 Ų73.552%0.52141%0.409SS..  trans-9112.3176.8-73.1-178172.4-157.13.5114.4Q34 E35 E36 K37 Q38 P129Q34-R127 PolarHBondContact O-NE 3.21Å; Q34-R127 PolarHBondContact O-NH1 2.91Å; Q34-R127 VanDerWaalsContact O-NH1 3.08Å; Q34-R127 PolarHBondContact O-NH2 2.94Å; Q34-R127 VanDerWaalsContact O-NH2 3.08Å; E35-R127 VanDerWaalsContact O-CD 3.31Å; E35-R127 WeakPolarHBondContact O-CD 3.47Å; E36-R127 WeakPolarHBondContact O-CB 3.48Å; E36-R127 PolarHBondContact O-N 2.86Å; K37-R127 PolarHBondContact O-NE 3.5Å; K37-R127 VanDerWaalsContact O-NE 3.14Å; Q38-R127 HydrophobicContact CB-CG 4.41Å; R127-P129 WeakPolarHBondContact O-CD 3.38Å
128V77.6Confident85.2Confident85 Ų8575.2 Ų75.252%0.51543%0.426SS..  trans-77.2115.9-172.9-1750000112.3D126 G130 Q133D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 HydrophobicContact CB-CG2 4.43Å; V128-G130 PolarHBondContact O-N 3.27Å; V128-Q133 VanDerWaalsContact N-NE2 3.15Å; V128-Q133 PolarHBondContact O-NE2 3.32Å
129P64.7Low85.2Confident125 Ų12580.8 Ų80.881%0.81245%0.45SS*.THydrogen-bonded Turntrans-62.5135.9179.1-18.430.8000112.5R127R127-P129 WeakPolarHBondContact O-CD 3.38Å
130G63.4Low85.1Confident88 Ų8882.9 Ų82.991%0.90746%0.461SS*.THydrogen-bonded Turntrans95.1-0.816100000118.3V128V128-G130 PolarHBondContact O-N 3.27Å
131L64.3Low85Confident138 Ų13885.2 Ų85.272%0.72348%0.478SS*.SBendtrans-112.1145.7172.8-146.975.6000110.6Q133L131-Q133 WeakPolarHBondContact O-CG 3.18Å; L131-Q133 PolarHBondContact O-N 2.73Å
132T61.7Low84.8Confident144 Ų14484.5 Ų84.588%0.88348%0.475SS*.  trans-64.2102.5168.6-40.30000108
133Q71.4Confident84.5Confident48 Ų4887.2 Ų87.222%0.22449%0.488CS..  trans-83.1136.8-173.5-69.5164-4.900110.7Q125 D126 V128 L131 L135Q125-Q133 VanDerWaalsContact CD-OE1 3.27Å; Q125-Q133 HydrophobicContact CG-CB 4.08Å; D126-Q133 HydrophobicContact CB-CG 4.28Å; D126-Q133 PolarHBondContact O-NE2 2.75Å; D126-Q133 PolarHBondContact O-OE1 3.2Å; V128-Q133 VanDerWaalsContact N-NE2 3.15Å; V128-Q133 PolarHBondContact O-NE2 3.32Å; L131-Q133 WeakPolarHBondContact O-CG 3.18Å; L131-Q133 PolarHBondContact O-N 2.73Å; Q133-L135 PolarHBondContact O-N 2.7Å; Q133-L135 VanDerWaalsContact O-N 3.13Å
134A78.9Confident84.2Confident76 Ų7684.5 Ų84.563%0.62848%0.477SS*.  trans-70.9107.9174.600000109.9R136A134-R136 PolarHBondContact O-N 3.47Å
135L87.5Confident83.7Confident104 Ų10487 Ų8755%0.54549%0.491SS..  trans-64.8119.7168.5-178.567.9000108.7K123 Q125 Q133 V137K123-L135 HydrophobicContact CB-CD1 4.22Å; Q125-L135 HydrophobicContact CB-CD1 4.5Å; Q133-L135 PolarHBondContact O-N 2.7Å; Q133-L135 VanDerWaalsContact O-N 3.13Å; L135-V137 HydrophobicContact CD2-CG2 4.29Å; L135-V137 HydrophobicContact CG-CG2 4.17Å
136R91.8Very high83.1Confident165 Ų16584 Ų8462%0.62348%0.479SS*.EExtended strand (participates in β ladder)trans-102.9131.3173-65.8-176.7-175.7177.51.9109.1K123 Q124 A134K123-R136 CarbonylContact C-O 3.53Å; K123-R136 VanDerWaalsContact CA-O 3.32Å; K123-R136 WeakPolarHBondContact CA-O 3.21Å; Q124-R136 HydrophobicContact CB-CB 4.42Å; Q124-R136 PolarHBondContact N-O 3.44Å; Q124-R136 PolarHBondContact O-N 3.21Å; A134-R136 PolarHBondContact O-N 3.47Å
137V92.9Very high82.1Confident91 Ų9182 Ų8255%0.55247%0.47SS*.EExtended strand (participates in β ladder)trans-121124.1175.3-173.60000108.1V122 K123 L135V122-V137 WeakPolarHBondContact O-CA 3.3Å; K123-V137 HydrophobicContact CG-CG1 4.34Å; K123-V137 HydrophobicContact CG-CG2 4.11Å; L135-V137 HydrophobicContact CD2-CG2 4.29Å; L135-V137 HydrophobicContact CG-CG2 4.17Å
138A94.7Very high81.1Confident59 Ų5980.7 Ų80.749%0.48848%0.483SS..EExtended strand (participates in β ladder)trans-115142.9173.200000109.6F121 V122F121-A138 CarbonylContact C-O 3.6Å; F121-A138 VanDerWaalsContact CA-O 3.27Å; F121-A138 WeakPolarHBondContact CA-O 3.33Å; V122-A138 PolarHBondContact N-O 3.15Å; V122-A138 PolarHBondContact O-N 2.68Å
139K94.8Very high80Confident116 Ų11687 Ų8750%0.50451%0.506SS..EExtended strand (participates in β ladder)trans-119.9124.7173.8178.8-175.8-179.9174.50109I120 F121 S141I120-K139 WeakPolarHBondContact O-CA 3.29Å; F121-K139 HydrophobicContact CD1-CB 4Å; F121-K139 HydrophobicContact CD1-CD 4.42Å; F121-K139 HydrophobicContact CD1-CG 4.02Å; F121-K139 HydrophobicContact CE1-CB 4.04Å; F121-K139 HydrophobicContact CE1-CD 3.61Å; F121-K139 HydrophobicContact CE1-CG 3.67Å; F121-K139 HydrophobicContact CZ-CD 3.9Å; F121-K139 HydrophobicContact CZ-CG 4.03Å; K139-S141 WeakPolarHBondContact CE-OG 3.41Å
140M95.8Very high80.7Confident67 Ų6785.1 Ų85.133%0.3349%0.491SS..EExtended strand (participates in β ladder)trans-110.3134.4169-178166.763.100108.8T22 Q119 I120 L142T22-M140 HydrophobicContact CG2-CE 3.36Å; T22-M140 HydrophobicContact CG2-SD 3.77Å; Q119-M140 CarbonylContact C-O 3.59Å; Q119-M140 WeakPolarHBondContact CA-O 3.32Å; I120-M140 HydrophobicContact CB-CE 4.36Å; I120-M140 HydrophobicContact CD1-CE 3.72Å; I120-M140 HydrophobicContact CG1-CE 4.41Å; I120-M140 PolarHBondContact N-O 3.41Å; I120-M140 PolarHBondContact O-N 3.4Å; M140-L142 HydrophobicContact CG-CD2 4.48Å
141S94.8Very high81.7Confident52 Ų5284.9 Ų84.936%0.36447%0.469SS..EExtended strand (participates in β ladder)trans-122.7120.1177.4-58.40000109.6F118 K139F118-S141 WeakPolarHBondContact O-CA 3.49Å; K139-S141 WeakPolarHBondContact CE-OG 3.41Å
142L93.8Very high82.6Confident21 Ų2182 Ų8211%0.1146%0.455CS..EExtended strand (participates in β ladder)trans-104.7113.4176.4-60.5175000107.6M9 M19 T22 F118 M140M9-L142 HydrophobicContact CE-CB 3.92Å; M19-L142 HydrophobicContact CB-CD1 4.25Å; M19-L142 HydrophobicContact CE-CB 3.94Å; M19-L142 HydrophobicContact CG-CB 4.19Å; M19-L142 HydrophobicContact CG-CD1 3.87Å; T22-L142 HydrophobicContact CG2-CD1 4.37Å; F118-L142 HydrophobicContact CB-CB 4.44Å; F118-L142 HydrophobicContact CD1-CD1 4.38Å; F118-L142 PolarHBondContact N-O 3.07Å; F118-L142 PolarHBondContact O-N 3.33Å; M140-L142 HydrophobicContact CG-CD2 4.48Å
143I91.5Very high83.8Confident80 Ų8078.4 Ų78.441%0.4143%0.43SS..EExtended strand (participates in β ladder)trans-117.2119-167.2-57.9171000109.6A116 I117 L145A116-I143 CarbonylContact O-C 3.53Å; A116-I143 WeakPolarHBondContact O-CA 3.49Å; I117-I143 HydrophobicContact CG1-CG1 4.18Å; I117-I143 HydrophobicContact CG1-CG2 4.14Å; I117-I143 HydrophobicContact CG2-CG1 4.1Å; I143-L145 HydrophobicContact CG2-CD2 3.41Å; I143-L145 VanDerWaalsContact CG2-CD2 3.41Å; I143-L145 HydrophobicContact CG2-CG 3.82Å
144D87.9Confident84.6Confident4 Ų480.3 Ų80.32%0.02144%0.443CS..EExtended strand (participates in β ladder)trans-99.499.6168.7179.639.3000108.5T6 M9 R100 H115 A116T6-D144 PolarHBondContact OG1-OD2 3.08Å; T6-D144 VanDerWaalsContact OG1-OD2 3.12Å; M9-D144 HydrophobicContact CB-CB 4.42Å; M9-D144 HydrophobicContact CG-CB 4.15Å; R100-D144 IonicContact CZ-OD2 3.13Å; R100-D144 IonicContact NH1-OD2 3.74Å; R100-D144 PolarHBondContact NH1-OD2 3.43Å; R100-D144 IonicContact NH2-OD2 2.74Å; R100-D144 PolarHBondContact NH2-OD2 3.22Å; H115-D144 WeakPolarHBondContact CA-O 3.16Å; A116-D144 HydrophobicContact CB-CB 4.37Å; A116-D144 PolarHBondContact N-O 3.14Å; A116-D144 PolarHBondContact O-N 3.45Å
145L85.3Confident85Confident98 Ų9880.5 Ų80.551%0.51343%0.431SS..PPolyproline II helixtrans-77.9144.8-177.8-64.2176000111.4K5 H115 I143K5-L145 WeakPolarHBondContact CE-O 3.4Å; H115-L145 HydrophobicContact CB-CD2 4.47Å; H115-L145 WeakPolarHBondContact ND1-CA 3.39Å; H115-L145 VanDerWaalsContact ND1-CD2 3.29Å; H115-L145 WeakPolarHBondContact ND1-CD2 3.48Å; I143-L145 HydrophobicContact CG2-CD2 3.41Å; I143-L145 VanDerWaalsContact CG2-CD2 3.41Å; I143-L145 HydrophobicContact CG2-CG 3.82Å
146A79.1Confident84.8Confident12 Ų1278.9 Ų78.910%0.09942%0.422CS..PPolyproline II helixtrans-56.8154.9169.100000111.5S111 S112 S114 H115S111-A146 WeakPolarHBondContact O-CA 3.19Å; S112-A146 VanDerWaalsContact C-CB 3.47Å; S112-A146 WeakPolarHBondContact O-CB 3.26Å; S114-A146 WeakPolarHBondContact O-CB 3.38Å; H115-A146 VanDerWaalsContact CE1-CB 3.47Å; H115-A146 WeakPolarHBondContact CE1-CB 3.49Å; H115-A146 PolarHBondContact CE1-N 2.89Å; H115-A146 PolarHBondContact ND1-N 3.39Å
147G68.8Low84.3Confident10 Ų1072.2 Ų72.210%0.10341%0.407CS..PPolyproline II helixtrans-66.4134.1174.100000111.5S111 E149S111-G147 PolarHBondContact O-N 3.3Å; G147-E149 PolarHBondContact O-N 3.06Å
148S62.3Low83.6Confident112 Ų11270.7 Ų70.778%0.78340%0.395SS*.PPolyproline II helixtrans-67.5128162.756.20000109
149E54.2Low82.6Confident217 Ų21771.7 Ų71.7100%1.01439%0.387SS*.  trans-82.90161.7-75.5178179.400109.9S112 G147S112-E149 PolarHBondContact OG-OE1 2.69Å; G147-E149 PolarHBondContact O-N 3.06Å

Retrieved 149 of 149 residues in 400.2 ms (Link to these results)

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