G4VP71_SCHMA Loading...

Putative tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase

Methylates the 2'-O-ribose of nucleotides at positions 32 and 34 of the tRNA anticodon loop of substrate tRNAs.

AlphaFold DB , UniProt , Accession G4VP71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 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
1M40.7Very low64.8Low181 Ų18184.5 Ų84.589%0.89242%0.415SS*.  0120.20-78.3165.576.800109
2G50.9Low67.1Low49 Ų4978.3 Ų78.351%0.50538%0.383SS..  trans-66.7146-175.500000113.1S4 S5G2-S4 PolarHBondContact O-N 3.19Å; G2-S5 PolarHBondContact O-N 2.65Å; G2-S5 PolarHBondContact O-OG 3.19Å; G2-S5 VanDerWaalsContact O-OG 3.11Å
3K53Low69Low198 Ų19877.4 Ų77.486%0.86137%0.374SS*.THydrogen-bonded Turntrans-48.6-35.4-178.2-69.8178.3178.7176.80113.2S5K3-S5 VanDerWaalsContact C-N 3.35Å; K3-S5 PolarHBondContact O-N 2.72Å
4S56.6Low70.4Confident62 Ų6274.2 Ų74.243%0.43436%0.356SS..Hα-helixtrans-70.8-19.4179.361.40000115.1G2 R6 K8G2-S4 PolarHBondContact O-N 3.19Å; S4-R6 PolarHBondContact O-N 2.98Å; S4-K8 WeakPolarHBondContact O-CG 3.23Å; S4-K8 PolarHBondContact O-N 2.8Å
5S63.1Low71.8Confident33 Ų3370.9 Ų70.923%0.23134%0.341CS..Hα-helixtrans-76-23-176.178.10000113.6G2 K3 R9G2-S5 PolarHBondContact O-N 2.65Å; G2-S5 PolarHBondContact O-OG 3.19Å; G2-S5 VanDerWaalsContact O-OG 3.11Å; K3-S5 VanDerWaalsContact C-N 3.35Å; K3-S5 PolarHBondContact O-N 2.72Å; S5-R9 VanDerWaalsContact O-CG 3.3Å; S5-R9 WeakPolarHBondContact O-CG 3.46Å; S5-R9 PolarHBondContact O-NE 3.23Å
6R63.6Low73.2Confident156 Ų15666.6 Ų66.659%0.58932%0.321SS*.Hα-helixtrans-76.8-46.2174.7-68.9-172.7-175-175.90.9110.8S4 K8 R9 D10S4-R6 PolarHBondContact O-N 2.98Å; R6-K8 VanDerWaalsContact C-N 3.26Å; R6-K8 PolarHBondContact O-N 2.97Å; R6-R9 PolarHBondContact O-N 3Å; R6-R9 VanDerWaalsContact O-N 3.08Å; R6-D10 PolarHBondContact O-N 2.87Å; R6-D10 VanDerWaalsContact O-N 3.11Å
7D62.5Low74.3Confident3 Ų364.1 Ų64.12%0.01631%0.308CS..Hα-helixtrans-65.7-29.5-179.1-65.4-10.2000112.7Y13 K17 V280D7-Y13 WeakPolarHBondContact OD1-CD1 3.2Å; D7-Y13 WeakPolarHBondContact OD1-CE1 3.45Å; D7-K17 IonicContact OD1-NZ 3.54Å; D7-K17 PolarHBondContact OD1-NZ 3.24Å; D7-K17 IonicContact OD2-NZ 3.26Å; D7-K17 PolarHBondContact OD2-NZ 3.48Å; D7-V280 WeakPolarHBondContact OD2-CG1 3.49Å
8K66.7Low75.2Confident107 Ų10763.8 Ų63.847%0.46531%0.306SS..Hα-helixtrans-67-41.3171.5-74.7-178.6179.5-168.70112.8S4 R6 T271 L274S4-K8 WeakPolarHBondContact O-CG 3.23Å; S4-K8 PolarHBondContact O-N 2.8Å; R6-K8 VanDerWaalsContact C-N 3.26Å; R6-K8 PolarHBondContact O-N 2.97Å; K8-T271 HydrophobicContact CB-CG2 4.18Å; K8-T271 WeakPolarHBondContact O-CG2 3.35Å; K8-L274 HydrophobicContact CG-CD1 3.72Å; K8-L274 HydrophobicContact CG-CG 4.24Å
9R77.5Confident76.1Confident118 Ų11865.8 Ų65.845%0.44532%0.315SS..Hα-helixtrans-82.6-21.7-171.8-72.8-174.9-61.2157.29.5113.9S5 R6S5-R9 VanDerWaalsContact O-CG 3.3Å; S5-R9 WeakPolarHBondContact O-CG 3.46Å; S5-R9 PolarHBondContact O-NE 3.23Å; R6-R9 PolarHBondContact O-N 3Å; R6-R9 VanDerWaalsContact O-N 3.08Å
10D87.3Confident77Confident20 Ų2063.9 Ų63.911%0.10731%0.313CS..  trans-130.796.4-173.1-171.9-17.9000110.8R6 Y12 Y13 R14 R24R6-D10 PolarHBondContact O-N 2.87Å; R6-D10 VanDerWaalsContact O-N 3.11Å; D10-Y12 PolarHBondContact OD1-N 3.2Å; D10-Y13 PolarHBondContact O-N 3.48Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.2Å; D10-Y13 PolarHBondContact OD1-N 3.21Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.35Å; D10-R14 PolarHBondContact O-N 3.14Å; D10-R14 VanDerWaalsContact O-N 3.09Å; D10-R24 IonicContact OD1-CZ 3.86Å; D10-R24 VanDerWaalsContact OD1-CZ 3.26Å; D10-R24 IonicContact OD1-NE 3.98Å; D10-R24 IonicContact OD1-NH1 2.79Å; D10-R24 PolarHBondContact OD1-NH1 3.37Å; D10-R24 IonicContact OD1-NH2 3.68Å; D10-R24 WeakPolarHBondContact OD2-CD 3.38Å; D10-R24 IonicContact OD2-CZ 2.72Å; D10-R24 IonicContact OD2-NE 2.68Å; D10-R24 IonicContact OD2-NH1 2.83Å; D10-R24 PolarHBondContact OD2-NH1 3.01Å
11I90.6Very high77.9Confident3 Ų361.7 Ų61.72%0.01530%0.302CS..Hα-helixtrans-63.9-41.1-178.6-172.7141.4000112.9Y13 R14 L15 F266 Y272I11-Y13 VanDerWaalsContact C-N 3.35Å; I11-R14 VanDerWaalsContact CD1-NH2 3.31Å; I11-R14 WeakPolarHBondContact O-CB 3.46Å; I11-R14 PolarHBondContact O-N 3.12Å; I11-L15 HydrophobicContact CG1-CD1 4Å; I11-L15 HydrophobicContact CG1-CG 4.24Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3Å; I11-F266 HydrophobicContact CD1-CB 3.89Å; I11-F266 HydrophobicContact CD1-CD1 3.14Å; I11-F266 HydrophobicContact CD1-CD2 3.79Å; I11-F266 HydrophobicContact CD1-CE1 3.43Å; I11-F266 VanDerWaalsContact CD1-CE1 3.43Å; I11-F266 HydrophobicContact CD1-CE2 4.04Å; I11-F266 HydrophobicContact CD1-CG 3.32Å; I11-F266 HydrophobicContact CD1-CZ 3.87Å; I11-F266 HydrophobicContact CG1-CB 4.13Å; I11-F266 HydrophobicContact CG1-CD1 4.16Å; I11-F266 HydrophobicContact CG1-CD2 3.98Å; I11-F266 HydrophobicContact CG1-CE2 4.4Å; I11-F266 HydrophobicContact CG1-CG 3.82Å; I11-F266 HydrophobicContact CG2-CB 3.73Å; I11-F266 HydrophobicContact CG2-CG 4.38Å; I11-Y272 HydrophobicContact CB-CD2 4.06Å; I11-Y272 HydrophobicContact CB-CE2 4.41Å; I11-Y272 HydrophobicContact CD1-CD1 4.38Å; I11-Y272 HydrophobicContact CD1-CD2 3.4Å; I11-Y272 HydrophobicContact CD1-CE2 3.86Å; I11-Y272 HydrophobicContact CD1-CG 3.69Å; I11-Y272 HydrophobicContact CG1-CD2 4.37Å; I11-Y272 HydrophobicContact CG2-CD2 4.36Å; I11-Y272 HydrophobicContact CG2-CE2 4.22Å
12Y93Very high80.5Confident9 Ų954.9 Ų54.94%0.03527%0.266CS..Hα-helixtrans-71.1-32.3179.7-72.3-75.3000112.1D10 R14 L15 A16 Y27 Q31 R194 A195 F266 P268D10-Y12 PolarHBondContact OD1-N 3.2Å; Y12-R14 VanDerWaalsContact C-N 3.34Å; Y12-L15 HydrophobicContact CD1-CD1 4.36Å; Y12-A16 VanDerWaalsContact O-CB 3.23Å; Y12-A16 WeakPolarHBondContact O-CB 3.49Å; Y12-A16 PolarHBondContact O-N 3Å; Y12-Y27 HydrophobicContact CD1-CD1 4.24Å; Y12-Y27 AromaticContact CD1-CD2 3.71Å; Y12-Y27 HydrophobicContact CD1-CD2 3.71Å; Y12-Y27 HydrophobicContact CD1-CE2 4.32Å; Y12-Y27 AromaticContact CD1-CG 3.67Å; Y12-Y27 HydrophobicContact CD1-CG 3.67Å; Y12-Y27 HydrophobicContact CE1-CD1 4.4Å; Y12-Y27 HydrophobicContact CE1-CG 4.14Å; Y12-Y27 HydrophobicContact CG-CD2 4.49Å; Y12-Q31 PolarHBondContact OH-NE2 3.38Å; Y12-R194 WeakPolarHBondContact CE2-O 3.33Å; Y12-A195 HydrophobicContact CD1-CB 3.97Å; Y12-A195 HydrophobicContact CD2-CB 4.27Å; Y12-A195 HydrophobicContact CE1-CB 3.99Å; Y12-A195 HydrophobicContact CE2-CB 4.28Å; Y12-A195 HydrophobicContact CG-CB 4.1Å; Y12-F266 PolarHBondContact OH-O 2.93Å; Y12-P268 HydrophobicContact CD2-CB 4.01Å; Y12-P268 HydrophobicContact CE2-CB 3.98Å
13Y91Very high82.5Confident67 Ų6753.6 Ų53.626%0.26325%0.25SS..Hα-helixtrans-64.4-40170.5178.8-108.7000112.3D7 D10 I11 K17D7-Y13 WeakPolarHBondContact OD1-CD1 3.2Å; D7-Y13 WeakPolarHBondContact OD1-CE1 3.45Å; D10-Y13 PolarHBondContact O-N 3.48Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.2Å; D10-Y13 PolarHBondContact OD1-N 3.21Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.35Å; I11-Y13 VanDerWaalsContact C-N 3.35Å; Y13-K17 HydrophobicContact CE1-CD 4.25Å; Y13-K17 PolarHBondContact O-N 3.31Å; Y13-K17 WeakPolarHBondContact OH-CE 3.44Å; Y13-K17 PolarHBondContact OH-NZ 2.86Å
14R89.5Confident84.5Confident33 Ų3346 Ų4613%0.12522%0.216CC..Hα-helixtrans-66.8-50.1174.8176.8173.459.791.4-3.5111.7D10 I11 Y12 A16 K17 E18 L274D10-R14 PolarHBondContact O-N 3.14Å; D10-R14 VanDerWaalsContact O-N 3.09Å; I11-R14 VanDerWaalsContact CD1-NH2 3.31Å; I11-R14 WeakPolarHBondContact O-CB 3.46Å; I11-R14 PolarHBondContact O-N 3.12Å; Y12-R14 VanDerWaalsContact C-N 3.34Å; R14-A16 VanDerWaalsContact C-N 3.25Å; R14-A16 PolarHBondContact O-N 3.25Å; R14-K17 WeakPolarHBondContact O-CB 3.33Å; R14-K17 PolarHBondContact O-N 3.27Å; R14-K17 VanDerWaalsContact O-N 3.07Å; R14-E18 WeakPolarHBondContact CD-OE1 3.49Å; R14-E18 HydrophobicContact CG-CG 4.36Å; R14-E18 WeakPolarHBondContact CG-OE1 3.12Å; R14-E18 IonicContact CZ-OE1 3.93Å; R14-E18 IonicContact NH1-OE1 2.98Å; R14-E18 PolarHBondContact NH1-OE1 3.14Å; R14-E18 IonicContact NH1-OE2 3.78Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.21Å; R14-L274 VanDerWaalsContact CD-CD2 3.45Å
15L91.7Very high86.3Confident25 Ų2543.6 Ų43.613%0.13120%0.2CC..Hα-helixtrans-57.3-40.5177.5-71.3171.1000111.4I11 Y12 K17 E18 E19 Y27 F266I11-L15 HydrophobicContact CG1-CD1 4Å; I11-L15 HydrophobicContact CG1-CG 4.24Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3Å; Y12-L15 HydrophobicContact CD1-CD1 4.36Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.14Å; L15-E18 PolarHBondContact O-N 3.49Å; L15-E18 VanDerWaalsContact O-N 3.11Å; L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 2.82Å; L15-Y27 HydrophobicContact CB-CE2 3.85Å; L15-Y27 VanDerWaalsContact CB-OH 3.25Å; L15-Y27 WeakPolarHBondContact CB-OH 3.34Å; L15-Y27 PolarHBondContact O-OH 3.3Å; L15-F266 HydrophobicContact CD1-CD2 3.79Å; L15-F266 HydrophobicContact CD1-CE2 3.92Å
16A93.6Very high87.9Confident2 Ų242 Ų422%0.01719%0.189CC..Hα-helixtrans-57.2-45.417500000112.4Y12 R14 G20 W21 Y27Y12-A16 VanDerWaalsContact O-CB 3.23Å; Y12-A16 WeakPolarHBondContact O-CB 3.49Å; Y12-A16 PolarHBondContact O-N 3Å; R14-A16 VanDerWaalsContact C-N 3.25Å; R14-A16 PolarHBondContact O-N 3.25Å; A16-G20 PolarHBondContact O-N 3.37Å; A16-W21 HydrophobicContact CB-CB 3.91Å; A16-W21 PolarHBondContact O-N 3.14Å; A16-Y27 HydrophobicContact CB-CE2 4.22Å
17K91.1Very high89.5Confident23 Ų2335.7 Ų35.710%0.117%0.165CC..Hα-helixtrans-66.3-40.3174.8-67.1170170.9178.40112.6D7 Y13 R14 L15 E19 K281D7-K17 IonicContact OD1-NZ 3.54Å; D7-K17 PolarHBondContact OD1-NZ 3.24Å; D7-K17 IonicContact OD2-NZ 3.26Å; D7-K17 PolarHBondContact OD2-NZ 3.48Å; Y13-K17 HydrophobicContact CE1-CD 4.25Å; Y13-K17 PolarHBondContact O-N 3.31Å; Y13-K17 WeakPolarHBondContact OH-CE 3.44Å; Y13-K17 PolarHBondContact OH-NZ 2.86Å; R14-K17 WeakPolarHBondContact O-CB 3.33Å; R14-K17 PolarHBondContact O-N 3.27Å; R14-K17 VanDerWaalsContact O-N 3.07Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.14Å; K17-E19 VanDerWaalsContact C-N 3.35Å; K17-K281 HydrophobicContact CB-CB 4.37Å
18E91.3Very high91.1Very high60 Ų6036.3 Ų36.328%0.2817%0.167SC..Hα-helixtrans-62.2-43-179.4-73.3173.4-172.700111.3R14 L15 H278 K281R14-E18 WeakPolarHBondContact CD-OE1 3.49Å; R14-E18 HydrophobicContact CG-CG 4.36Å; R14-E18 WeakPolarHBondContact CG-OE1 3.12Å; R14-E18 IonicContact CZ-OE1 3.93Å; R14-E18 IonicContact NH1-OE1 2.98Å; R14-E18 PolarHBondContact NH1-OE1 3.14Å; R14-E18 IonicContact NH1-OE2 3.78Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.21Å; L15-E18 PolarHBondContact O-N 3.49Å; L15-E18 VanDerWaalsContact O-N 3.11Å; E18-H278 IonicContact OE1-CE1 3.89Å; E18-H278 PolarHBondContact OE1-CE1 3.12Å; E18-H278 IonicContact OE1-ND1 3.36Å; E18-H278 PolarHBondContact OE1-ND1 3.42Å; E18-K281 PolarHBondContact O-NZ 3.3Å
19E93Very high92.6Very high101 Ų10131.2 Ų31.247%0.47215%0.145SC..Hα-helixtrans-89.6-6.8-178.5-71.3-178-149.900115.2L15 K17 W21 Y27L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 2.82Å; K17-E19 VanDerWaalsContact C-N 3.35Å; E19-W21 PolarHBondContact OE2-NE1 3.43Å; E19-Y27 PolarHBondContact OE1-OH 3.49Å; E19-Y27 PolarHBondContact OE2-OH 3.07Å
20G93.4Very high93.5Very high27 Ų2726.6 Ų26.628%0.27813%0.129SC..THydrogen-bonded Turntrans84.624.2178.200000115A16 Q61 V284A16-G20 PolarHBondContact O-N 3.37Å; G20-Q61 PolarHBondContact O-NE2 2.9Å; G20-V284 VanDerWaalsContact C-CG2 3.44Å
21W96.1Very high94Very high19 Ų1926.4 Ų26.47%0.07213%0.128CC..  trans-84.2138167.9-56.3115.7000111.8A16 E19 A23 A26 L30 Q61 V62 K65 V284A16-W21 HydrophobicContact CB-CB 3.91Å; A16-W21 PolarHBondContact O-N 3.14Å; E19-W21 PolarHBondContact OE2-NE1 3.43Å; W21-A23 VanDerWaalsContact C-N 3.28Å; W21-A23 PolarHBondContact O-N 3Å; W21-A26 HydrophobicContact CB-CB 3.88Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 3.99Å; W21-A26 HydrophobicContact CG-CB 3.75Å; W21-L30 HydrophobicContact CZ2-CD1 4.18Å; W21-Q61 HydrophobicContact CE3-CB 3.83Å; W21-Q61 HydrophobicContact CZ3-CB 3.69Å; W21-V62 HydrophobicContact CE3-CG2 4.16Å; W21-V62 HydrophobicContact CH2-CB 4.48Å; W21-V62 HydrophobicContact CH2-CG2 3.76Å; W21-V62 HydrophobicContact CZ2-CG2 4.47Å; W21-V62 HydrophobicContact CZ3-CB 4.38Å; W21-V62 HydrophobicContact CZ3-CG2 3.63Å; W21-K65 HydrophobicContact CH2-CD 3.54Å; W21-K65 HydrophobicContact CH2-CG 4.38Å; W21-K65 HydrophobicContact CZ2-CD 4.29Å; W21-K65 HydrophobicContact CZ3-CD 3.92Å; W21-V284 VanDerWaalsContact O-CG2 3.32Å; W21-V284 WeakPolarHBondContact O-CG2 3.32Å
22R94.9Very high94.3Very high37 Ų3726.3 Ų26.314%0.1413%0.127CC..SBendtrans-64.7-31.5179.8-72.6174.4-177.2-162.5-2.9113P56 Q61 A90 P91 V284 Q285R22-P56 HydrophobicContact CB-CG 4.43Å; R22-P56 WeakPolarHBondContact CD-O 3.45Å; R22-P56 PolarHBondContact NH1-O 3Å; R22-Q61 VanDerWaalsContact CG-OE1 3.27Å; R22-A90 VanDerWaalsContact CZ-O 3.27Å; R22-A90 PolarHBondContact NH1-O 3.02Å; R22-A90 PolarHBondContact NH2-O 3.31Å; R22-P91 PolarHBondContact NH2-O 3.38Å; R22-V284 HydrophobicContact CG-CB 4.44Å; R22-V284 HydrophobicContact CG-CG1 4.2Å; R22-Q285 HydrophobicContact CG-CB 4.07Å
23A94.1Very high94.5Very high22 Ų2226.5 Ų26.518%0.18213%0.129CC..SBendtrans-148.6158.4178.200000111.8W21 S25 A26 P56W21-A23 VanDerWaalsContact C-N 3.28Å; W21-A23 PolarHBondContact O-N 3Å; A23-S25 PolarHBondContact O-N 3.22Å; A23-S25 VanDerWaalsContact O-N 3.16Å; A23-A26 PolarHBondContact O-N 3Å; A23-P56 HydrophobicContact CB-CG 4.15Å
24R93.7Very high94.7Very high38 Ų3828.7 Ų28.714%0.14315%0.145CC..THydrogen-bonded Turntrans-61.2-21.3176.969.9172.3-74.81734.1113.7D10 A26 Y27 A195D10-R24 IonicContact OD1-CZ 3.86Å; D10-R24 VanDerWaalsContact OD1-CZ 3.26Å; D10-R24 IonicContact OD1-NE 3.98Å; D10-R24 IonicContact OD1-NH1 2.79Å; D10-R24 PolarHBondContact OD1-NH1 3.37Å; D10-R24 IonicContact OD1-NH2 3.68Å; D10-R24 WeakPolarHBondContact OD2-CD 3.38Å; D10-R24 IonicContact OD2-CZ 2.72Å; D10-R24 IonicContact OD2-NE 2.68Å; D10-R24 IonicContact OD2-NH1 2.83Å; D10-R24 PolarHBondContact OD2-NH1 3.01Å; R24-A26 PolarHBondContact O-N 3.27Å; R24-Y27 PolarHBondContact O-N 3.43Å; R24-A195 PolarHBondContact NE-O 2.84Å; R24-A195 PolarHBondContact NH2-O 3.46Å
25S95.3Very high94.9Very high13 Ų1332 Ų329%0.09116%0.162CC..THydrogen-bonded Turntrans-65.4-16.9179.341.90000113.3A23 Y27 K28 L29 S58 W59 D126A23-S25 PolarHBondContact O-N 3.22Å; A23-S25 VanDerWaalsContact O-N 3.16Å; S25-Y27 PolarHBondContact O-N 2.81Å; S25-K28 VanDerWaalsContact O-CB 3.28Å; S25-K28 WeakPolarHBondContact O-CB 3.29Å; S25-K28 PolarHBondContact O-N 3.22Å; S25-L29 PolarHBondContact O-N 2.81Å; S25-S58 PolarHBondContact OG-OG 3.23Å; S25-W59 PolarHBondContact O-NE1 2.99Å; S25-D126 WeakPolarHBondContact CB-OD2 3.45Å; S25-D126 PolarHBondContact OG-OD2 3.41Å
26A96.9Very high95.1Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-51.4-41.8170.100000111.9W21 A23 R24 K28 L29 L30 V62W21-A26 HydrophobicContact CB-CB 3.88Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 3.99Å; W21-A26 HydrophobicContact CG-CB 3.75Å; A23-A26 PolarHBondContact O-N 3Å; R24-A26 PolarHBondContact O-N 3.27Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 2.85Å; A26-L29 PolarHBondContact O-N 3.26Å; A26-L30 WeakPolarHBondContact O-CG 3.5Å; A26-L30 PolarHBondContact O-N 3.13Å; A26-V62 HydrophobicContact CB-CG2 3.78Å
27Y96.3Very high95.2Very high23 Ų2332.9 Ų32.99%0.0917%0.17CC..Hα-helixtrans-65.8-26.5177.1-68.3-76.8000113.6Y12 L15 A16 E19 R24 S25 L30 Q31Y12-Y27 HydrophobicContact CD1-CD1 4.24Å; Y12-Y27 AromaticContact CD1-CD2 3.71Å; Y12-Y27 HydrophobicContact CD1-CD2 3.71Å; Y12-Y27 HydrophobicContact CD1-CE2 4.32Å; Y12-Y27 AromaticContact CD1-CG 3.67Å; Y12-Y27 HydrophobicContact CD1-CG 3.67Å; Y12-Y27 HydrophobicContact CE1-CD1 4.4Å; Y12-Y27 HydrophobicContact CE1-CG 4.14Å; Y12-Y27 HydrophobicContact CG-CD2 4.49Å; L15-Y27 HydrophobicContact CB-CE2 3.85Å; L15-Y27 VanDerWaalsContact CB-OH 3.25Å; L15-Y27 WeakPolarHBondContact CB-OH 3.34Å; L15-Y27 PolarHBondContact O-OH 3.3Å; A16-Y27 HydrophobicContact CB-CE2 4.22Å; E19-Y27 PolarHBondContact OE1-OH 3.49Å; E19-Y27 PolarHBondContact OE2-OH 3.07Å; R24-Y27 PolarHBondContact O-N 3.43Å; S25-Y27 PolarHBondContact O-N 2.81Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; Y27-Q31 VanDerWaalsContact O-CB 3.29Å; Y27-Q31 WeakPolarHBondContact O-CB 3.5Å; Y27-Q31 WeakPolarHBondContact O-CG 3.5Å; Y27-Q31 PolarHBondContact O-N 3.44Å
28K96.9Very high95.4Very high15 Ų1532.1 Ų32.17%0.06517%0.167CC..Hα-helixtrans-65.7-48.3176.4-57.5177.7-165.1175.60110S25 A26 Q31 I32 W59 D126 P193 A195 E202 F204S25-K28 VanDerWaalsContact O-CB 3.28Å; S25-K28 WeakPolarHBondContact O-CB 3.29Å; S25-K28 PolarHBondContact O-N 3.22Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 2.85Å; K28-Q31 PolarHBondContact O-N 2.66Å; K28-I32 WeakPolarHBondContact O-CD1 3.47Å; K28-I32 VanDerWaalsContact O-CG1 3.24Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 2.97Å; K28-W59 HydrophobicContact CB-CZ2 4.32Å; K28-D126 IonicContact NZ-OD1 3.02Å; K28-D126 IonicContact NZ-OD2 3.22Å; K28-P193 HydrophobicContact CB-CB 4.07Å; K28-P193 HydrophobicContact CB-CG 4.04Å; K28-P193 HydrophobicContact CG-CB 4.3Å; K28-A195 HydrophobicContact CG-CB 3.9Å; K28-E202 WeakPolarHBondContact CE-OE1 3.45Å; K28-E202 IonicContact NZ-OE1 2.86Å; K28-E202 PolarHBondContact NZ-OE1 2.91Å; K28-E202 IonicContact NZ-OE2 3.97Å; K28-E202 PolarHBondContact NZ-OE2 3.47Å; K28-F204 HydrophobicContact CB-CE2 4.34Å; K28-F204 HydrophobicContact CB-CZ 4.24Å; K28-F204 HydrophobicContact CD-CE2 3.86Å; K28-F204 HydrophobicContact CD-CZ 3.64Å
29L97.7Very high95.5Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-65-42.9178-172.158.8000111.7S25 A26 Q31 I32 D33 I38 F39 W59 V62 L63 V124S25-L29 PolarHBondContact O-N 2.81Å; A26-L29 PolarHBondContact O-N 3.26Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.04Å; L29-I32 PolarHBondContact O-N 3.49Å; L29-D33 WeakPolarHBondContact O-CB 3.34Å; L29-D33 PolarHBondContact O-N 3.38Å; L29-I38 HydrophobicContact CD1-CD1 3.69Å; L29-F39 HydrophobicContact CD1-CZ 4.31Å; L29-F39 HydrophobicContact CD2-CZ 3.99Å; L29-F39 HydrophobicContact CG-CZ 3.91Å; L29-W59 HydrophobicContact CB-CD2 3.9Å; L29-W59 HydrophobicContact CB-CG 4.05Å; L29-W59 HydrophobicContact CB-CZ2 4.02Å; L29-W59 HydrophobicContact CD1-CD2 4.21Å; L29-W59 HydrophobicContact CD1-CE3 4.06Å; L29-W59 HydrophobicContact CD1-CH2 4.17Å; L29-W59 HydrophobicContact CD1-CZ2 4.35Å; L29-W59 HydrophobicContact CD1-CZ3 4.06Å; L29-W59 HydrophobicContact CD2-CB 3.82Å; L29-W59 HydrophobicContact CD2-CD2 3.86Å; L29-W59 HydrophobicContact CD2-CE3 4.16Å; L29-W59 HydrophobicContact CD2-CG 3.75Å; L29-W59 HydrophobicContact CG-CD2 4.21Å; L29-W59 HydrophobicContact CG-CG 4.44Å; L29-V62 HydrophobicContact CD2-CB 4.03Å; L29-V62 HydrophobicContact CD2-CG1 3.9Å; L29-V62 HydrophobicContact CG-CG1 4.18Å; L29-L63 HydrophobicContact CD2-CD2 4.31Å; L29-L63 HydrophobicContact CD2-CG 4.27Å; L29-V124 HydrophobicContact CD1-CG1 4.43Å
30L96.7Very high95.3Very high21 Ų2130 Ų3011%0.1117%0.167CC..Hα-helixtrans-58.5-45.3175.9-70.4166.5000111.7W21 A26 Y27 I32 D33 D34 V62W21-L30 HydrophobicContact CZ2-CD1 4.18Å; A26-L30 WeakPolarHBondContact O-CG 3.5Å; A26-L30 PolarHBondContact O-N 3.13Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; L30-I32 PolarHBondContact O-N 2.92Å; L30-D33 PolarHBondContact O-N 3.23Å; L30-D34 PolarHBondContact O-N 2.98Å; L30-V62 HydrophobicContact CD1-CG2 4.36Å; L30-V62 HydrophobicContact CD2-CG1 3.73Å; L30-V62 HydrophobicContact CD2-CG2 4.39Å; L30-V62 HydrophobicContact CG-CG1 4.04Å; L30-V62 HydrophobicContact CG-CG2 4.07Å
31Q96.7Very high94.6Very high17 Ų1731.6 Ų31.68%0.07917%0.172CC..Hα-helixtrans-68.5-34178.8-73.3166.2-4.700113.1Y12 Y27 K28 L29 E35 P193 C260Y12-Q31 PolarHBondContact OH-NE2 3.38Å; Y27-Q31 VanDerWaalsContact O-CB 3.29Å; Y27-Q31 WeakPolarHBondContact O-CB 3.5Å; Y27-Q31 WeakPolarHBondContact O-CG 3.5Å; Y27-Q31 PolarHBondContact O-N 3.44Å; K28-Q31 PolarHBondContact O-N 2.66Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.04Å; Q31-E35 PolarHBondContact O-N 3.07Å; Q31-P193 HydrophobicContact CB-CB 4.21Å; Q31-P193 VanDerWaalsContact OE1-CB 3.23Å; Q31-C260 HydrophobicContact CB-CB 4.17Å
32I97.4Very high93.5Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-65.8-43.2172.9-68.9164.6000109.7K28 L29 L30 E35 Y36 I38 W59 V164 P193 F204 I206K28-I32 WeakPolarHBondContact O-CD1 3.47Å; K28-I32 VanDerWaalsContact O-CG1 3.24Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 2.97Å; L29-I32 PolarHBondContact O-N 3.49Å; L30-I32 PolarHBondContact O-N 2.92Å; I32-E35 PolarHBondContact O-N 3.33Å; I32-Y36 HydrophobicContact CG2-CD2 4.24Å; I32-Y36 WeakPolarHBondContact O-CB 3.32Å; I32-Y36 WeakPolarHBondContact O-CD2 3.43Å; I32-Y36 PolarHBondContact O-N 3.31Å; I32-I38 HydrophobicContact CG2-CD1 4.09Å; I32-I38 HydrophobicContact CG2-CG2 4.34Å; I32-W59 HydrophobicContact CD1-CH2 4.45Å; I32-V164 HydrophobicContact CD1-CG1 4.23Å; I32-V164 HydrophobicContact CG2-CG1 4.36Å; I32-P193 HydrophobicContact CD1-CG 3.91Å; I32-P193 HydrophobicContact CG1-CG 3.82Å; I32-F204 HydrophobicContact CD1-CB 3.88Å; I32-F204 HydrophobicContact CD1-CD1 3.86Å; I32-F204 HydrophobicContact CD1-CD2 4.03Å; I32-F204 HydrophobicContact CD1-CE1 4.46Å; I32-F204 HydrophobicContact CD1-CG 3.62Å; I32-I206 HydrophobicContact CG2-CD1 4.4Å; I32-I206 HydrophobicContact CG2-CG1 4.04Å
33D96.7Very high92.5Very high14 Ų1445.1 Ų45.18%0.07524%0.242CC..Hα-helixtrans-66.4-39.2176.2-175.957000112.7L29 L30 E35 G37 I38 F39L29-D33 WeakPolarHBondContact O-CB 3.34Å; L29-D33 PolarHBondContact O-N 3.38Å; L30-D33 PolarHBondContact O-N 3.23Å; D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 3.36Å; D33-G37 WeakPolarHBondContact O-CA 3.4Å; D33-G37 PolarHBondContact O-N 3.2Å; D33-I38 HydrophobicContact CB-CG1 3.94Å; D33-I38 PolarHBondContact OD1-N 3.18Å; D33-F39 HydrophobicContact CB-CD2 3.94Å; D33-F39 HydrophobicContact CB-CE2 3.77Å; D33-F39 HydrophobicContact CB-CZ 4.28Å; D33-F39 WeakPolarHBondContact OD1-CB 3.25Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.37Å; D33-F39 WeakPolarHBondContact OD1-CG 3.49Å; D33-F39 PolarHBondContact OD1-N 3.08Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.13Å
34D95.3Very high92.1Very high113 Ų11347.8 Ų47.860%0.60426%0.257SS*.Hα-helixtrans-63.4-33.5177-67.4-24.3000112L30 R66L30-D34 PolarHBondContact O-N 2.98Å; D34-R66 IonicContact OD1-NH2 3.71Å
35E95.3Very high91.9Very high102 Ų10249.5 Ų49.548%0.47727%0.273SS..Hα-helixtrans-83.1-45.5-179.9-171.268-149.800112.6Q31 I32 D33 I258 C260Q31-E35 PolarHBondContact O-N 3.07Å; I32-E35 PolarHBondContact O-N 3.33Å; D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 3.36Å; E35-I258 HydrophobicContact CG-CG2 3.93Å; E35-C260 HydrophobicContact CB-CB 4.14Å
36Y95.1Very high91.9Very high25 Ų2549.2 Ų49.210%0.09827%0.27CS..Hα-helixtrans-100.8-24.9-172.3-71.2-86.1000112.9I32 S189 A191 I206 R208 I258I32-Y36 HydrophobicContact CG2-CD2 4.24Å; I32-Y36 WeakPolarHBondContact O-CB 3.32Å; I32-Y36 WeakPolarHBondContact O-CD2 3.43Å; I32-Y36 PolarHBondContact O-N 3.31Å; Y36-S189 VanDerWaalsContact CE1-OG 3.24Å; Y36-S189 WeakPolarHBondContact CE1-OG 3.45Å; Y36-S189 VanDerWaalsContact CZ-OG 3.28Å; Y36-S189 WeakPolarHBondContact OH-CB 3.4Å; Y36-S189 PolarHBondContact OH-OG 2.71Å; Y36-A191 HydrophobicContact CE2-CB 3.89Å; Y36-I206 HydrophobicContact CD1-CG2 4.22Å; Y36-I206 HydrophobicContact CD2-CD1 4.28Å; Y36-I206 HydrophobicContact CD2-CG1 4.1Å; Y36-I206 HydrophobicContact CE2-CD1 3.82Å; Y36-I206 HydrophobicContact CE2-CG1 4.09Å; Y36-I206 HydrophobicContact CG-CG1 4.4Å; Y36-I206 HydrophobicContact CG-CG2 4.39Å; Y36-R208 PolarHBondContact O-NH2 3.21Å; Y36-I258 WeakPolarHBondContact OH-CB 3.48Å; Y36-I258 VanDerWaalsContact OH-CG1 3.25Å; Y36-I258 WeakPolarHBondContact OH-CG1 3.49Å
37G94.8Very high91.8Very high21 Ų2151.3 Ų51.322%0.21628%0.28CS..  trans67.444.3-171.700000112.4D33 F39 S40D33-G37 WeakPolarHBondContact O-CA 3.4Å; D33-G37 PolarHBondContact O-N 3.2Å; G37-F39 PolarHBondContact O-N 2.98Å; G37-S40 PolarHBondContact O-N 3.39Å; G37-S40 VanDerWaalsContact O-O 3.07Å
38I95.1Very high91.8Very high6 Ų651.7 Ų51.73%0.03128%0.281CS..THydrogen-bonded Turntrans-65.3-19.3-176.260.4167.7000113.5L29 I32 D33 T162 V164 I206L29-I38 HydrophobicContact CD1-CD1 3.69Å; I32-I38 HydrophobicContact CG2-CD1 4.09Å; I32-I38 HydrophobicContact CG2-CG2 4.34Å; D33-I38 HydrophobicContact CB-CG1 3.94Å; D33-I38 PolarHBondContact OD1-N 3.18Å; I38-T162 HydrophobicContact CG2-CG2 4.49Å; I38-V164 HydrophobicContact CD1-CG2 4.16Å; I38-V164 HydrophobicContact CG2-CG2 4.28Å; I38-I206 HydrophobicContact CG2-CG2 4.47Å
39F95Very high91.8Very high20 Ų2051 Ų519%0.08828%0.278CS..THydrogen-bonded Turntrans-85.8-11.4173.7-59.5-24.9000113.6L29 D33 G37 L46 V62 L63 R66 L67 L122L29-F39 HydrophobicContact CD1-CZ 4.31Å; L29-F39 HydrophobicContact CD2-CZ 3.99Å; L29-F39 HydrophobicContact CG-CZ 3.91Å; D33-F39 HydrophobicContact CB-CD2 3.94Å; D33-F39 HydrophobicContact CB-CE2 3.77Å; D33-F39 HydrophobicContact CB-CZ 4.28Å; D33-F39 WeakPolarHBondContact OD1-CB 3.25Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.37Å; D33-F39 WeakPolarHBondContact OD1-CG 3.49Å; D33-F39 PolarHBondContact OD1-N 3.08Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.13Å; G37-F39 PolarHBondContact O-N 2.98Å; F39-L46 HydrophobicContact CD1-CD2 4.17Å; F39-V62 HydrophobicContact CE2-CG1 3.97Å; F39-V62 HydrophobicContact CZ-CG1 4.03Å; F39-L63 HydrophobicContact CD1-CD2 4.28Å; F39-L63 HydrophobicContact CE1-CD2 3.42Å; F39-L63 VanDerWaalsContact CE1-CD2 3.42Å; F39-L63 HydrophobicContact CZ-CD2 3.81Å; F39-R66 HydrophobicContact CD2-CB 3.84Å; F39-R66 HydrophobicContact CD2-CG 3.94Å; F39-R66 HydrophobicContact CE2-CB 4.01Å; F39-R66 HydrophobicContact CE2-CG 3.81Å; F39-L67 HydrophobicContact CB-CD2 4.03Å; F39-L67 HydrophobicContact CG-CD2 4.27Å; F39-L122 HydrophobicContact CD1-CD2 4.03Å; F39-L122 HydrophobicContact CE1-CD2 4.06Å
40S87.7Confident91.9Very high96 Ų9651 Ų5167%0.67128%0.278SS*.  trans-101.1127.2178-60.10000110.1G37G37-S40 PolarHBondContact O-N 3.39Å; G37-S40 VanDerWaalsContact O-O 3.07Å
41T78.4Confident92Very high62 Ų6250 Ų5038%0.3827%0.273SS..  trans-122.4133-179.437.70000108.1N43 T44 L46T41-N43 VanDerWaalsContact C-N 3.33Å; T41-N43 PolarHBondContact O-N 2.99Å; T41-T44 WeakPolarHBondContact CB-O 3.42Å; T41-T44 PolarHBondContact OG1-O 3.1Å; T41-L46 PolarHBondContact OG1-N 2.95Å
42E72.9Confident92Very high190 Ų19049.2 Ų49.289%0.88827%0.269SS*.SBendtrans-62.8-35.3-168-64.9-175.3169.200113.8
43N74.8Confident92Very high149 Ų14950.5 Ų50.580%0.79728%0.278SS*.SBendtrans-124.4-15.8-167.2-64.2-51.3000115.2T41T41-N43 VanDerWaalsContact C-N 3.33Å; T41-N43 PolarHBondContact O-N 2.99Å
44T85Confident92Very high79 Ų7950 Ų5049%0.48528%0.276SS..SBendtrans-148.1128.6-171.1-58.20000108.8T41T41-T44 WeakPolarHBondContact CB-O 3.42Å; T41-T44 PolarHBondContact OG1-O 3.1Å
45P89.9Confident91.9Very high74 Ų7445.8 Ų45.848%0.48126%0.257SS..  trans-57.5142.6-179.125-34.7000111.6E47 Q121P45-E47 HydrophobicContact CB-CG 4.33Å; P45-E47 HydrophobicContact CG-CG 4.28Å; P45-E47 PolarHBondContact O-N 2.59Å; P45-Q121 PolarHBondContact O-NE2 3.35Å
46L94.4Very high91.9Very high7 Ų743.7 Ų43.74%0.03725%0.252CS..  trans-71.2117.2171.3-173.261.1000109.2F39 T41 V49 L67 Q121 L122F39-L46 HydrophobicContact CD1-CD2 4.17Å; T41-L46 PolarHBondContact OG1-N 2.95Å; L46-V49 HydrophobicContact CD1-CG2 3.87Å; L46-V49 HydrophobicContact CD2-CG2 3.86Å; L46-V49 HydrophobicContact CG-CG2 3.71Å; L46-L67 HydrophobicContact CB-CD2 4.34Å; L46-L67 HydrophobicContact CD2-CD1 3.76Å; L46-L67 HydrophobicContact CD2-CD2 3.95Å; L46-L67 HydrophobicContact CG-CD1 4.15Å; L46-L67 HydrophobicContact CG-CD2 4.37Å; L46-Q121 HydrophobicContact CD1-CB 3.42Å; L46-Q121 VanDerWaalsContact CD1-CB 3.42Å; L46-Q121 HydrophobicContact CD1-CG 4.39Å; L46-L122 HydrophobicContact CD1-CB 3.89Å; L46-L122 HydrophobicContact CD2-CB 4.31Å; L46-L122 HydrophobicContact CD2-CD2 3.82Å
47E94.8Very high91.9Very high44 Ų4442.5 Ų42.521%0.20625%0.247CC..  trans-129.6-30.6-173.9-68.3-174.1146.100112.8P45 S78 V79 K80P45-E47 HydrophobicContact CB-CG 4.33Å; P45-E47 HydrophobicContact CG-CG 4.28Å; P45-E47 PolarHBondContact O-N 2.59Å; E47-S78 VanDerWaalsContact OE1-CB 3.27Å; E47-S78 WeakPolarHBondContact OE1-CB 3.12Å; E47-S78 PolarHBondContact OE1-OG 3.45Å; E47-V79 CarbonylContact O-C 3.56Å; E47-V79 WeakPolarHBondContact O-CA 3.36Å; E47-K80 PolarHBondContact O-N 3.05Å; E47-K80 VanDerWaalsContact O-O 3.11Å
48R96.8Very high92Very high30 Ų3041.7 Ų41.711%0.11324%0.238CC..EExtended strand (participates in β ladder)trans-118.9105.7-175.4-62.3178.6-59.5-71.3-1.1109.9K80 F115 L119 Q121 L122 E158R48-K80 WeakPolarHBondContact CA-O 3.46Å; R48-F115 HydrophobicContact CB-CD1 3.99Å; R48-F115 HydrophobicContact CB-CE1 3.93Å; R48-F115 HydrophobicContact CB-CG 4.39Å; R48-F115 HydrophobicContact CB-CZ 4.28Å; R48-F115 HydrophobicContact CG-CD1 3.93Å; R48-F115 HydrophobicContact CG-CE1 4.31Å; R48-F115 HydrophobicContact CG-CG 4.35Å; R48-L119 PolarHBondContact NE-O 2.91Å; R48-Q121 PolarHBondContact O-N 2.86Å; R48-L122 PolarHBondContact O-N 2.65Å; R48-E158 IonicContact CZ-OE2 2.72Å; R48-E158 IonicContact NH2-OE2 2.83Å; R48-E158 PolarHBondContact NH2-OE2 2.79Å
49V98.1Very high92.1Very high0 Ų041.5 Ų41.50%024%0.237CC..EExtended strand (participates in β ladder)trans-126.2137.6-176.8-173.10000111L46 L63 L67 K80 I81 V82 L122L46-V49 HydrophobicContact CD1-CG2 3.87Å; L46-V49 HydrophobicContact CD2-CG2 3.86Å; L46-V49 HydrophobicContact CG-CG2 3.71Å; V49-L63 HydrophobicContact CG1-CD1 3.77Å; V49-L63 HydrophobicContact CG1-CD2 3.91Å; V49-L63 HydrophobicContact CG1-CG 4.46Å; V49-L67 HydrophobicContact CB-CD1 4.48Å; V49-L67 HydrophobicContact CG2-CD1 3.57Å; V49-K80 PolarHBondContact N-O 3.29Å; V49-I81 WeakPolarHBondContact O-CA 3.43Å; V49-V82 PolarHBondContact O-N 3.49Å; V49-L122 WeakPolarHBondContact CA-O 3.48Å; V49-L122 HydrophobicContact CG1-CB 4.09Å; V49-L122 HydrophobicContact CG1-CD2 3.93Å; V49-L122 HydrophobicContact CG1-CG 4.02Å; V49-L122 HydrophobicContact CG2-CB 4.17Å; V49-L122 HydrophobicContact CG2-CD2 4.43Å
50V98.5Very high92.3Very high0 Ų040.6 Ų40.60%023%0.233CC..EExtended strand (participates in β ladder)trans-112.3130.5173.7-1770000109.8L52 V82 V84 I111 F115 A120 L122 V123 V124V50-L52 HydrophobicContact CG1-CD2 3.54Å; V50-L52 HydrophobicContact CG1-CG 3.98Å; V50-V82 CarbonylContact C-O 3.38Å; V50-V82 VanDerWaalsContact CA-O 3.29Å; V50-V82 WeakPolarHBondContact CA-O 3.16Å; V50-V84 HydrophobicContact CG1-CG2 4.45Å; V50-I111 HydrophobicContact CG1-CD1 4.24Å; V50-I111 HydrophobicContact CG2-CG2 3.67Å; V50-F115 HydrophobicContact CG2-CE2 3.5Å; V50-F115 HydrophobicContact CG2-CZ 3.65Å; V50-A120 HydrophobicContact CG2-CB 3.73Å; V50-L122 PolarHBondContact N-O 3.27Å; V50-V123 HydrophobicContact CB-CG1 4.36Å; V50-V123 HydrophobicContact CB-CG2 4.07Å; V50-V123 HydrophobicContact CG2-CG2 4.38Å; V50-V123 WeakPolarHBondContact O-CA 3.32Å; V50-V124 PolarHBondContact O-N 3.4Å
51D98.5Very high92.7Very high1 Ų137.1 Ų37.11%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-109106.1171.5-172.614.4000108.4A54 S60 L63 V82 A83 V84 V124D51-A54 HydrophobicContact CB-CB 4.14Å; D51-A54 WeakPolarHBondContact OD2-CB 3.45Å; D51-S60 WeakPolarHBondContact OD2-CA 3.49Å; D51-S60 WeakPolarHBondContact OD2-CB 3.39Å; D51-S60 PolarHBondContact OD2-N 3.47Å; D51-S60 PolarHBondContact OD2-OG 2.93Å; D51-L63 HydrophobicContact CB-CD1 3.99Å; D51-V82 PolarHBondContact N-O 3.27Å; D51-A83 HydrophobicContact CB-CB 4.39Å; D51-A83 CarbonylContact O-C 3.59Å; D51-A83 WeakPolarHBondContact O-CA 3.36Å; D51-V84 PolarHBondContact O-N 3.28Å; D51-V124 HydrophobicContact CB-CG2 4.03Å
52L98.1Very high93.7Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-91.9142.7-179.8-59.5177.1000110.5V50 A54 V84 I102 V123 V124 C125 A149 I152V50-L52 HydrophobicContact CG1-CD2 3.54Å; V50-L52 HydrophobicContact CG1-CG 3.98Å; L52-A54 PolarHBondContact O-N 3.02Å; L52-V84 HydrophobicContact CD2-CB 4.28Å; L52-V84 HydrophobicContact CD2-CG2 4.39Å; L52-I102 HydrophobicContact CB-CG2 4.46Å; L52-I102 HydrophobicContact CD2-CG2 3.9Å; L52-V123 HydrophobicContact CD1-CG1 3.51Å; L52-V123 HydrophobicContact CG-CG1 3.85Å; L52-V124 PolarHBondContact N-O 3.23Å; L52-C125 HydrophobicContact CB-CB 4Å; L52-C125 WeakPolarHBondContact O-CA 3.43Å; L52-A149 HydrophobicContact CD1-CB 4.18Å; L52-I152 HydrophobicContact CD1-CG2 3.59Å; L52-I152 HydrophobicContact CD2-CG2 4.24Å
53C96.4Very high94.9Very high27 Ų2725.1 Ų25.118%0.18215%0.146CC..THydrogen-bonded Turntrans52.948.2-173.1-57.60000110.9A55 V84 D85C53-A55 PolarHBondContact O-N 2.74Å; C53-V84 WeakPolarHBondContact CA-O 3.36Å; C53-V84 PolarHBondContact N-O 3.04Å; C53-D85 VanDerWaalsContact CA-OD2 3.23Å; C53-D85 WeakPolarHBondContact CA-OD2 3.35Å
54A96.6Very high96Very high5 Ų518 Ų184%0.04111%0.108CC..  trans-74.1-23.3-165.900000114.3D51 L52 G57 A83 V84 D85 M89D51-A54 HydrophobicContact CB-CB 4.14Å; D51-A54 WeakPolarHBondContact OD2-CB 3.45Å; L52-A54 PolarHBondContact O-N 3.02Å; A54-G57 WeakPolarHBondContact O-CA 3.32Å; A54-G57 PolarHBondContact O-N 3.09Å; A54-A83 HydrophobicContact CB-CB 3.74Å; A54-V84 PolarHBondContact N-O 3.37Å; A54-D85 PolarHBondContact N-OD2 3.38Å; A54-M89 HydrophobicContact CB-CE 4.48Å
55A94.1Very high96.5Very high24 Ų2417.8 Ų17.820%0.19810%0.1CC..THydrogen-bonded Turntrans-63.3135-173.100000110.8C53 D85 Q87C53-A55 PolarHBondContact O-N 2.74Å; A55-D85 HydrophobicContact CB-CB 3.92Å; A55-D85 VanDerWaalsContact CB-OD2 3.31Å; A55-D85 WeakPolarHBondContact CB-OD2 3.49Å; A55-D85 PolarHBondContact N-OD2 3.34Å; A55-Q87 HydrophobicContact CB-CB 4.04Å
56P94.5Very high96.8Very high57 Ų5719.8 Ų19.837%0.3710%0.098SC..THydrogen-bonded Turncis-88.74.99.836.6-37.8000114.8R22 A23 M89 Q285R22-P56 HydrophobicContact CB-CG 4.43Å; R22-P56 WeakPolarHBondContact CD-O 3.45Å; R22-P56 PolarHBondContact NH1-O 3Å; A23-P56 HydrophobicContact CB-CG 4.15Å; P56-M89 WeakPolarHBondContact O-CG 3.45Å; P56-Q285 PolarHBondContact O-OE1 3.48Å
57G95.4Very high96.8Very high0 Ų019.9 Ų19.90%010%0.099CC..  trans108.517.3171.900000115.7A54 W59 S60 Q61 M89 I92A54-G57 WeakPolarHBondContact O-CA 3.32Å; A54-G57 PolarHBondContact O-N 3.09Å; G57-W59 VanDerWaalsContact C-N 3.33Å; G57-W59 PolarHBondContact O-N 2.99Å; G57-S60 WeakPolarHBondContact O-CB 3.3Å; G57-S60 PolarHBondContact O-N 3.4Å; G57-Q61 WeakPolarHBondContact O-CG 3.49Å; G57-Q61 PolarHBondContact O-N 3.2Å; G57-M89 WeakPolarHBondContact CA-SD 3.46Å; G57-M89 PolarHBondContact N-SD 3.41Å; G57-I92 VanDerWaalsContact O-CD1 3.29Å; G57-I92 WeakPolarHBondContact O-CD1 3.39Å
58S96.4Very high96.8Very high4 Ų420.6 Ų20.63%0.02810%0.1CC..Hα-helixtrans-63.5-38.1-179.941.90000113S25 Q61 V62S25-S58 PolarHBondContact OG-OG 3.23Å; S58-Q61 PolarHBondContact O-N 3.25Å; S58-V62 WeakPolarHBondContact O-CG2 3.43Å; S58-V62 PolarHBondContact O-N 3.49Å
59W98.2Very high96.8Very high3 Ų323.8 Ų23.81%0.01112%0.116CC..Hα-helixtrans-72.4-45.3176.2-79.926000110.5S25 K28 L29 I32 G57 Q61 V62 L63 V124 D126 V164 F204S25-W59 PolarHBondContact O-NE1 2.99Å; K28-W59 HydrophobicContact CB-CZ2 4.32Å; L29-W59 HydrophobicContact CB-CD2 3.9Å; L29-W59 HydrophobicContact CB-CG 4.05Å; L29-W59 HydrophobicContact CB-CZ2 4.02Å; L29-W59 HydrophobicContact CD1-CD2 4.21Å; L29-W59 HydrophobicContact CD1-CE3 4.06Å; L29-W59 HydrophobicContact CD1-CH2 4.17Å; L29-W59 HydrophobicContact CD1-CZ2 4.35Å; L29-W59 HydrophobicContact CD1-CZ3 4.06Å; L29-W59 HydrophobicContact CD2-CB 3.82Å; L29-W59 HydrophobicContact CD2-CD2 3.86Å; L29-W59 HydrophobicContact CD2-CE3 4.16Å; L29-W59 HydrophobicContact CD2-CG 3.75Å; L29-W59 HydrophobicContact CG-CD2 4.21Å; L29-W59 HydrophobicContact CG-CG 4.44Å; I32-W59 HydrophobicContact CD1-CH2 4.45Å; G57-W59 VanDerWaalsContact C-N 3.33Å; G57-W59 PolarHBondContact O-N 2.99Å; W59-Q61 VanDerWaalsContact C-N 3.26Å; W59-Q61 PolarHBondContact O-N 2.92Å; W59-V62 WeakPolarHBondContact O-CA 3.4Å; W59-V62 WeakPolarHBondContact O-CB 3.33Å; W59-V62 PolarHBondContact O-N 3.31Å; W59-L63 WeakPolarHBondContact O-CG 3.44Å; W59-L63 PolarHBondContact O-N 3.26Å; W59-V124 HydrophobicContact CE3-CB 3.71Å; W59-V124 HydrophobicContact CE3-CG2 3.74Å; W59-V124 HydrophobicContact CZ3-CB 3.69Å; W59-V124 HydrophobicContact CZ3-CG2 4.26Å; W59-D126 HydrophobicContact CD2-CB 3.78Å; W59-D126 HydrophobicContact CE3-CB 4.01Å; W59-D126 HydrophobicContact CG-CB 4.43Å; W59-D126 HydrophobicContact CH2-CB 4.04Å; W59-D126 HydrophobicContact CZ2-CB 3.77Å; W59-D126 HydrophobicContact CZ3-CB 4.11Å; W59-V164 HydrophobicContact CH2-CG1 4.39Å; W59-F204 AromaticContact CH2-CD1 3.74Å; W59-F204 HydrophobicContact CH2-CD1 3.74Å; W59-F204 AromaticContact CH2-CE1 3.37Å; W59-F204 HydrophobicContact CH2-CE1 3.37Å; W59-F204 HydrophobicContact CH2-CZ 4.34Å; W59-F204 HydrophobicContact CZ2-CD1 4.2Å; W59-F204 AromaticContact CZ2-CE1 3.47Å; W59-F204 HydrophobicContact CZ2-CE1 3.47Å; W59-F204 VanDerWaalsContact CZ2-CE1 3.47Å; W59-F204 HydrophobicContact CZ2-CZ 4.01Å
60S98.3Very high96.5Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-50.3-40.6168.4-67.40000113.8D51 G57 L63 S64 A83 I92D51-S60 WeakPolarHBondContact OD2-CA 3.49Å; D51-S60 WeakPolarHBondContact OD2-CB 3.39Å; D51-S60 PolarHBondContact OD2-N 3.47Å; D51-S60 PolarHBondContact OD2-OG 2.93Å; G57-S60 WeakPolarHBondContact O-CB 3.3Å; G57-S60 PolarHBondContact O-N 3.4Å; S60-L63 PolarHBondContact O-N 3.06Å; S60-S64 WeakPolarHBondContact O-CB 3.19Å; S60-S64 PolarHBondContact O-N 2.89Å; S60-A83 VanDerWaalsContact OG-CB 3.3Å; S60-A83 WeakPolarHBondContact OG-CB 3.47Å; S60-I92 VanDerWaalsContact CB-CD1 3.48Å
61Q97.8Very high96.1Very high23 Ų2330 Ų3011%0.10715%0.153CC..Hα-helixtrans-64.7-42.7174.3-74.8-177.7-61.500111.9G20 W21 R22 G57 S58 W59 S64 K65 I92G20-Q61 PolarHBondContact O-NE2 2.9Å; W21-Q61 HydrophobicContact CE3-CB 3.83Å; W21-Q61 HydrophobicContact CZ3-CB 3.69Å; R22-Q61 VanDerWaalsContact CG-OE1 3.27Å; G57-Q61 WeakPolarHBondContact O-CG 3.49Å; G57-Q61 PolarHBondContact O-N 3.2Å; S58-Q61 PolarHBondContact O-N 3.25Å; W59-Q61 VanDerWaalsContact C-N 3.26Å; W59-Q61 PolarHBondContact O-N 2.92Å; Q61-S64 PolarHBondContact O-N 3.41Å; Q61-K65 WeakPolarHBondContact O-CG 3.33Å; Q61-K65 PolarHBondContact O-N 2.84Å; Q61-I92 HydrophobicContact CG-CD1 3.85Å; Q61-I92 HydrophobicContact CG-CG1 4.28Å; Q61-I92 HydrophobicContact CG-CG2 4.33Å
62V98.1Very high95.9Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-63-46.1177.7170.50000109.9W21 A26 L29 L30 F39 S58 W59 K65 R66W21-V62 HydrophobicContact CE3-CG2 4.16Å; W21-V62 HydrophobicContact CH2-CB 4.48Å; W21-V62 HydrophobicContact CH2-CG2 3.76Å; W21-V62 HydrophobicContact CZ2-CG2 4.47Å; W21-V62 HydrophobicContact CZ3-CB 4.38Å; W21-V62 HydrophobicContact CZ3-CG2 3.63Å; A26-V62 HydrophobicContact CB-CG2 3.78Å; L29-V62 HydrophobicContact CD2-CB 4.03Å; L29-V62 HydrophobicContact CD2-CG1 3.9Å; L29-V62 HydrophobicContact CG-CG1 4.18Å; L30-V62 HydrophobicContact CD1-CG2 4.36Å; L30-V62 HydrophobicContact CD2-CG1 3.73Å; L30-V62 HydrophobicContact CD2-CG2 4.39Å; L30-V62 HydrophobicContact CG-CG1 4.04Å; L30-V62 HydrophobicContact CG-CG2 4.07Å; F39-V62 HydrophobicContact CE2-CG1 3.97Å; F39-V62 HydrophobicContact CZ-CG1 4.03Å; S58-V62 WeakPolarHBondContact O-CG2 3.43Å; S58-V62 PolarHBondContact O-N 3.49Å; W59-V62 WeakPolarHBondContact O-CA 3.4Å; W59-V62 WeakPolarHBondContact O-CB 3.33Å; W59-V62 PolarHBondContact O-N 3.31Å; V62-K65 PolarHBondContact O-N 3.46Å; V62-R66 HydrophobicContact CG1-CG 4.22Å; V62-R66 VanDerWaalsContact O-CB 3.32Å; V62-R66 WeakPolarHBondContact O-CB 3.42Å; V62-R66 VanDerWaalsContact O-CG 3.27Å; V62-R66 WeakPolarHBondContact O-CG 3.16Å; V62-R66 PolarHBondContact O-N 2.97Å
63L98.1Very high95.5Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-58.8-47.6176.2-66.4174.5000111.6L29 F39 V49 D51 W59 S60 K65 R66 L67 I81 V124L29-L63 HydrophobicContact CD2-CD2 4.31Å; L29-L63 HydrophobicContact CD2-CG 4.27Å; F39-L63 HydrophobicContact CD1-CD2 4.28Å; F39-L63 HydrophobicContact CE1-CD2 3.42Å; F39-L63 VanDerWaalsContact CE1-CD2 3.42Å; F39-L63 HydrophobicContact CZ-CD2 3.81Å; V49-L63 HydrophobicContact CG1-CD1 3.77Å; V49-L63 HydrophobicContact CG1-CD2 3.91Å; V49-L63 HydrophobicContact CG1-CG 4.46Å; D51-L63 HydrophobicContact CB-CD1 3.99Å; W59-L63 WeakPolarHBondContact O-CG 3.44Å; W59-L63 PolarHBondContact O-N 3.26Å; S60-L63 PolarHBondContact O-N 3.06Å; L63-K65 PolarHBondContact O-N 3.44Å; L63-R66 PolarHBondContact O-N 3.36Å; L63-L67 HydrophobicContact CD2-CD1 4.04Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 PolarHBondContact O-N 2.83Å; L63-I81 HydrophobicContact CB-CD1 4.03Å; L63-I81 HydrophobicContact CB-CG2 4.1Å; L63-I81 HydrophobicContact CD1-CG2 4.02Å; L63-V124 HydrophobicContact CD1-CG2 4.01Å
64S97.4Very high95.2Very high0 Ų041.2 Ų41.20%022%0.215CC..Iπ-helixtrans-56.2-53.1175.8175.30000111.4S60 Q61 R66 W68 E69 P93S60-S64 WeakPolarHBondContact O-CB 3.19Å; S60-S64 PolarHBondContact O-N 2.89Å; Q61-S64 PolarHBondContact O-N 3.41Å; S64-R66 VanDerWaalsContact C-N 3.33Å; S64-R66 PolarHBondContact O-N 2.91Å; S64-W68 CarbonylContact O-C 3.44Å; S64-W68 WeakPolarHBondContact O-CA 3.31Å; S64-W68 VanDerWaalsContact O-CB 3.3Å; S64-W68 WeakPolarHBondContact O-CB 3.46Å; S64-W68 PolarHBondContact O-N 3.43Å; S64-E69 PolarHBondContact O-N 2.92Å; S64-E69 PolarHBondContact OG-OE1 3.4Å; S64-P93 PolarHBondContact OG-O 2.9Å
65K96.3Very high95Very high75 Ų7545.2 Ų45.233%0.32624%0.236SC..Iπ-helixtrans-63.3-39.1-177.3-71.2-166.5-169.4170.30112.8W21 Q61 V62 L63W21-K65 HydrophobicContact CH2-CD 3.54Å; W21-K65 HydrophobicContact CH2-CG 4.38Å; W21-K65 HydrophobicContact CZ2-CD 4.29Å; W21-K65 HydrophobicContact CZ3-CD 3.92Å; Q61-K65 WeakPolarHBondContact O-CG 3.33Å; Q61-K65 PolarHBondContact O-N 2.84Å; V62-K65 PolarHBondContact O-N 3.46Å; L63-K65 PolarHBondContact O-N 3.44Å
66R95.5Very high94.9Very high115 Ų11546.2 Ų46.243%0.43424%0.236SC..Iπ-helixtrans-81.6-35.4-175-68.8-70.6-166148.29.2113.2D34 F39 V62 L63 S64 S70D34-R66 IonicContact OD1-NH2 3.71Å; F39-R66 HydrophobicContact CD2-CB 3.84Å; F39-R66 HydrophobicContact CD2-CG 3.94Å; F39-R66 HydrophobicContact CE2-CB 4.01Å; F39-R66 HydrophobicContact CE2-CG 3.81Å; V62-R66 HydrophobicContact CG1-CG 4.22Å; V62-R66 VanDerWaalsContact O-CB 3.32Å; V62-R66 WeakPolarHBondContact O-CB 3.42Å; V62-R66 VanDerWaalsContact O-CG 3.27Å; V62-R66 WeakPolarHBondContact O-CG 3.16Å; V62-R66 PolarHBondContact O-N 2.97Å; L63-R66 PolarHBondContact O-N 3.36Å; S64-R66 VanDerWaalsContact C-N 3.33Å; S64-R66 PolarHBondContact O-N 2.91Å; R66-S70 WeakPolarHBondContact O-CB 3.25Å; R66-S70 PolarHBondContact O-OG 3.21Å
67L95.2Very high94.7Very high10 Ų1051.3 Ų51.35%0.05225%0.253CS..Iπ-helixtrans-110-27.8-170.7-55.7177.7000113.9F39 L46 V49 L63 K71 V79 I81F39-L67 HydrophobicContact CB-CD2 4.03Å; F39-L67 HydrophobicContact CG-CD2 4.27Å; L46-L67 HydrophobicContact CB-CD2 4.34Å; L46-L67 HydrophobicContact CD2-CD1 3.76Å; L46-L67 HydrophobicContact CD2-CD2 3.95Å; L46-L67 HydrophobicContact CG-CD1 4.15Å; L46-L67 HydrophobicContact CG-CD2 4.37Å; V49-L67 HydrophobicContact CB-CD1 4.48Å; V49-L67 HydrophobicContact CG2-CD1 3.57Å; L63-L67 HydrophobicContact CD2-CD1 4.04Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 PolarHBondContact O-N 2.83Å; L67-K71 WeakPolarHBondContact O-CD 3.36Å; L67-K71 WeakPolarHBondContact O-CE 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-V79 HydrophobicContact CB-CG1 4.2Å; L67-I81 HydrophobicContact CB-CD1 4.48Å
68W95.3Very high94.5Very high58 Ų5853.5 Ų53.522%0.2227%0.267CS..Iπ-helixtrans-107.4-56.5-174.5-173.281.3000111.8S64 S70 K71 Q76 V79 I81 P93 G94S64-W68 CarbonylContact O-C 3.44Å; S64-W68 WeakPolarHBondContact O-CA 3.31Å; S64-W68 VanDerWaalsContact O-CB 3.3Å; S64-W68 WeakPolarHBondContact O-CB 3.46Å; S64-W68 PolarHBondContact O-N 3.43Å; W68-S70 PolarHBondContact O-N 2.92Å; W68-K71 PolarHBondContact O-N 3.45Å; W68-K71 VanDerWaalsContact O-N 3.17Å; W68-Q76 HydrophobicContact CD2-CG 4.21Å; W68-Q76 HydrophobicContact CG-CG 4.25Å; W68-Q76 HydrophobicContact CZ2-CG 4.41Å; W68-Q76 PolarHBondContact NE1-O 2.79Å; W68-Q76 WeakPolarHBondContact O-CG 3.26Å; W68-Q76 PolarHBondContact O-NE2 2.83Å; W68-V79 HydrophobicContact CB-CG1 4.35Å; W68-I81 HydrophobicContact CB-CD1 4.24Å; W68-P93 HydrophobicContact CE3-CB 4.47Å; W68-P93 HydrophobicContact CH2-CB 4.25Å; W68-P93 HydrophobicContact CZ3-CB 3.75Å; W68-G94 VanDerWaalsContact CD2-CA 3.48Å
69E95.2Very high94.5Very high97 Ų9753.5 Ų53.545%0.45327%0.268SS..THydrogen-bonded Turntrans-67-25.8-178.7-61.4178.6-15400113.2S64 K71S64-E69 PolarHBondContact O-N 2.92Å; S64-E69 PolarHBondContact OG-OE1 3.4Å; E69-K71 PolarHBondContact O-N 3.2Å
70S91.9Very high94.5Very high81 Ų8156.5 Ų56.557%0.56628%0.281SS*.THydrogen-bonded Turntrans-72.8-13.6177.663.10000113.7R66 W68R66-S70 WeakPolarHBondContact O-CB 3.25Å; R66-S70 PolarHBondContact O-OG 3.21Å; W68-S70 PolarHBondContact O-N 2.92Å
71K91.9Very high94.5Very high51 Ų5156.5 Ų56.522%0.22228%0.281CS..SBendtrans-99.8159.2-176.1-66.6-162.5-171.4-178.50112.7L67 W68 E69 D75 Q76 V79L67-K71 WeakPolarHBondContact O-CD 3.36Å; L67-K71 WeakPolarHBondContact O-CE 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; W68-K71 PolarHBondContact O-N 3.45Å; W68-K71 VanDerWaalsContact O-N 3.17Å; E69-K71 PolarHBondContact O-N 3.2Å; K71-D75 HydrophobicContact CB-CB 4.01Å; K71-D75 HydrophobicContact CD-CB 3.99Å; K71-Q76 HydrophobicContact CB-CG 4.34Å; K71-Q76 PolarHBondContact O-NE2 3Å; K71-Q76 VanDerWaalsContact O-NE2 3.13Å; K71-V79 HydrophobicContact CD-CG2 3.66Å
72S92.3Very high94.5Very high42 Ų4255.4 Ų55.429%0.29428%0.275SS..  trans-60.7154.3172.5730000111.1E74 D75 Q76S72-E74 PolarHBondContact O-N 3.13Å; S72-E74 VanDerWaalsContact O-N 3.12Å; S72-E74 PolarHBondContact OG-OE2 3.07Å; S72-D75 PolarHBondContact O-N 3.37Å; S72-D75 VanDerWaalsContact O-N 3.1Å; S72-D75 WeakPolarHBondContact OG-CB 3.5Å; S72-D75 PolarHBondContact OG-N 3.11Å; S72-D75 PolarHBondContact OG-OD2 3.25Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 2.99Å
73P90.9Very high94.5Very high86 Ų8655.4 Ų55.456%0.55828%0.276SS*.THydrogen-bonded Turntrans-55.5-28.2176.9-26.235.6000114.3
74E90.1Very high94.5Very high135 Ų13555.4 Ų55.463%0.63128%0.276SS*.THydrogen-bonded Turntrans-71.7-47.8176.2-62.470.3-151.700111.1S72 K77S72-E74 PolarHBondContact O-N 3.13Å; S72-E74 VanDerWaalsContact O-N 3.12Å; S72-E74 PolarHBondContact OG-OE2 3.07Å; E74-K77 PolarHBondContact O-N 3.26Å
75D91.5Very high94.5Very high89 Ų8956.6 Ų56.648%0.47628%0.282SS..G310 helixtrans-74.8-24.4-178.9-61.3-39.7000112.6K71 S72 K77 S78K71-D75 HydrophobicContact CB-CB 4.01Å; K71-D75 HydrophobicContact CD-CB 3.99Å; S72-D75 PolarHBondContact O-N 3.37Å; S72-D75 VanDerWaalsContact O-N 3.1Å; S72-D75 WeakPolarHBondContact OG-CB 3.5Å; S72-D75 PolarHBondContact OG-N 3.11Å; S72-D75 PolarHBondContact OG-OD2 3.25Å; D75-K77 PolarHBondContact O-N 3.06Å; D75-K77 VanDerWaalsContact O-N 3.09Å; D75-S78 PolarHBondContact O-N 2.94Å; D75-S78 PolarHBondContact O-OG 3.36Å
76Q92.3Very high94.4Very high45 Ų4558.4 Ų58.421%0.2130%0.295CS..G310 helixtrans-56.1-25.2173.5-85.9176.513.800113.2W68 K71 S72W68-Q76 HydrophobicContact CD2-CG 4.21Å; W68-Q76 HydrophobicContact CG-CG 4.25Å; W68-Q76 HydrophobicContact CZ2-CG 4.41Å; W68-Q76 PolarHBondContact NE1-O 2.79Å; W68-Q76 WeakPolarHBondContact O-CG 3.26Å; W68-Q76 PolarHBondContact O-NE2 2.83Å; K71-Q76 HydrophobicContact CB-CG 4.34Å; K71-Q76 PolarHBondContact O-NE2 3Å; K71-Q76 VanDerWaalsContact O-NE2 3.13Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 2.99Å
77K90.9Very high94.2Very high164 Ų16458.9 Ų58.971%0.71330%0.302SS*.G310 helixtrans-74.3-27178.8-65.1178.7-176.5172.60113E74 D75E74-K77 PolarHBondContact O-N 3.26Å; D75-K77 PolarHBondContact O-N 3.06Å; D75-K77 VanDerWaalsContact O-N 3.09Å
78S92Very high94.1Very high45 Ų4560.5 Ų60.532%0.31532%0.316SS..THydrogen-bonded Turntrans-78.2-26.4178.679.10000112E47 D75E47-S78 VanDerWaalsContact OE1-CB 3.27Å; E47-S78 WeakPolarHBondContact OE1-CB 3.12Å; E47-S78 PolarHBondContact OE1-OG 3.45Å; D75-S78 PolarHBondContact O-N 2.94Å; D75-S78 PolarHBondContact O-OG 3.36Å
79V95.8Very high93.9Very high5 Ų559 Ų593%0.0331%0.312CS..  trans-80.8124.4179.4-178.20000110.8E47 L67 W68 K71 I81E47-V79 CarbonylContact O-C 3.56Å; E47-V79 WeakPolarHBondContact O-CA 3.36Å; L67-V79 HydrophobicContact CB-CG1 4.2Å; W68-V79 HydrophobicContact CB-CG1 4.35Å; K71-V79 HydrophobicContact CD-CG2 3.66Å; V79-I81 HydrophobicContact CG1-CD1 4.3Å; V79-I81 HydrophobicContact CG1-CG1 4.11Å
80K97.1Very high93.8Very high65 Ų6555.6 Ų55.628%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-123.8115176.6-57.8-62.6-177.6-174.70108.4E47 R48 V49 I96 F115E47-K80 PolarHBondContact O-N 3.05Å; E47-K80 VanDerWaalsContact O-O 3.11Å; R48-K80 WeakPolarHBondContact CA-O 3.46Å; V49-K80 PolarHBondContact N-O 3.29Å; K80-I96 HydrophobicContact CD-CD1 4.28Å; K80-F115 HydrophobicContact CB-CD1 3.61Å; K80-F115 HydrophobicContact CB-CE1 3.62Å; K80-F115 HydrophobicContact CG-CD1 4.33Å; K80-F115 WeakPolarHBondContact O-CE1 3.33Å
81I98.3Very high94Very high0 Ų056.9 Ų56.90%031%0.307CS..EExtended strand (participates in β ladder)trans-111.5121.8172.6-57.2163000106.8V49 L63 L67 W68 V79 V95 I96V49-I81 WeakPolarHBondContact O-CA 3.43Å; L63-I81 HydrophobicContact CB-CD1 4.03Å; L63-I81 HydrophobicContact CB-CG2 4.1Å; L63-I81 HydrophobicContact CD1-CG2 4.02Å; L67-I81 HydrophobicContact CB-CD1 4.48Å; W68-I81 HydrophobicContact CB-CD1 4.24Å; V79-I81 HydrophobicContact CG1-CD1 4.3Å; V79-I81 HydrophobicContact CG1-CG1 4.11Å; I81-V95 HydrophobicContact CB-CG2 4.28Å; I81-V95 HydrophobicContact CG2-CG1 4.15Å; I81-V95 HydrophobicContact CG2-CG2 4.07Å; I81-I96 PolarHBondContact O-N 3.35Å
82V98.3Very high94.2Very high0 Ų055 Ų550%030%0.299CS..EExtended strand (participates in β ladder)trans-114.7113.5-179.5-179.40000109V49 V50 D51 V84 I96 I98 I111 H114 F115V49-V82 PolarHBondContact O-N 3.49Å; V50-V82 CarbonylContact C-O 3.38Å; V50-V82 VanDerWaalsContact CA-O 3.29Å; V50-V82 WeakPolarHBondContact CA-O 3.16Å; D51-V82 PolarHBondContact N-O 3.27Å; V82-V84 HydrophobicContact CG1-CG2 4.17Å; V82-I96 CarbonylContact C-O 3.51Å; V82-I96 WeakPolarHBondContact CA-O 3.28Å; V82-I96 HydrophobicContact CG2-CB 4.29Å; V82-I96 HydrophobicContact CG2-CD1 4.35Å; V82-I98 HydrophobicContact CG1-CD1 3.45Å; V82-I98 VanDerWaalsContact CG1-CD1 3.45Å; V82-I98 HydrophobicContact CG1-CG1 4.11Å; V82-I111 HydrophobicContact CG1-CG1 4.06Å; V82-H114 HydrophobicContact CG2-CB 3.9Å; V82-F115 HydrophobicContact CB-CE1 4.42Å; V82-F115 HydrophobicContact CB-CZ 4.04Å; V82-F115 HydrophobicContact CG2-CD1 4.29Å; V82-F115 HydrophobicContact CG2-CE1 3.56Å; V82-F115 HydrophobicContact CG2-CE2 4.39Å; V82-F115 HydrophobicContact CG2-CZ 3.62Å
83A98.4Very high94.4Very high1 Ų156.9 Ų56.91%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-98.4132.1176.400000110.3D51 A54 S60 M89 V95 I96 Q97 I98D51-A83 HydrophobicContact CB-CB 4.39Å; D51-A83 CarbonylContact O-C 3.59Å; D51-A83 WeakPolarHBondContact O-CA 3.36Å; A54-A83 HydrophobicContact CB-CB 3.74Å; S60-A83 VanDerWaalsContact OG-CB 3.3Å; S60-A83 WeakPolarHBondContact OG-CB 3.47Å; A83-M89 HydrophobicContact CB-CE 3.77Å; A83-V95 HydrophobicContact CB-CG1 3.61Å; A83-I96 PolarHBondContact N-O 3.14Å; A83-Q97 HydrophobicContact CB-CG 4.28Å; A83-Q97 WeakPolarHBondContact O-CA 3.46Å; A83-I98 PolarHBondContact O-N 3.03Å
84V98.2Very high94.6Very high0 Ų053.9 Ų53.90%030%0.296CS..EExtended strand (participates in β ladder)trans-127128.1-176-173.20000109.6V50 D51 L52 C53 A54 V82 I98 I102 T107 I111V50-V84 HydrophobicContact CG1-CG2 4.45Å; D51-V84 PolarHBondContact O-N 3.28Å; L52-V84 HydrophobicContact CD2-CB 4.28Å; L52-V84 HydrophobicContact CD2-CG2 4.39Å; C53-V84 WeakPolarHBondContact CA-O 3.36Å; C53-V84 PolarHBondContact N-O 3.04Å; A54-V84 PolarHBondContact N-O 3.37Å; V82-V84 HydrophobicContact CG1-CG2 4.17Å; V84-I98 WeakPolarHBondContact CA-O 3.36Å; V84-I98 HydrophobicContact CG2-CB 4.3Å; V84-I98 HydrophobicContact CG2-CD1 4.45Å; V84-I102 HydrophobicContact CB-CG2 4.5Å; V84-I102 HydrophobicContact CG1-CG2 3.89Å; V84-T107 HydrophobicContact CG1-CG2 3.46Å; V84-T107 VanDerWaalsContact CG1-CG2 3.46Å; V84-I111 HydrophobicContact CG2-CD1 3.83Å; V84-I111 HydrophobicContact CG2-CG1 3.92Å
85D96.8Very high95Very high25 Ų2548.1 Ų48.113%0.13427%0.269CS..EExtended strand (participates in β ladder)trans-153.5158.2173.2-155.7-74.2000111.2C53 A54 A55 Q87 I98 Q99 G100C53-D85 VanDerWaalsContact CA-OD2 3.23Å; C53-D85 WeakPolarHBondContact CA-OD2 3.35Å; A54-D85 PolarHBondContact N-OD2 3.38Å; A55-D85 HydrophobicContact CB-CB 3.92Å; A55-D85 VanDerWaalsContact CB-OD2 3.31Å; A55-D85 WeakPolarHBondContact CB-OD2 3.49Å; A55-D85 PolarHBondContact N-OD2 3.34Å; D85-Q87 VanDerWaalsContact C-N 3.32Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.41Å; D85-Q87 PolarHBondContact OD1-N 2.86Å; D85-I98 PolarHBondContact N-O 2.73Å; D85-Q99 CarbonylContact O-C 3.54Å; D85-Q99 VanDerWaalsContact O-CA 3.23Å; D85-Q99 WeakPolarHBondContact O-CA 3.3Å; D85-G100 CarbonylContact C-O 3.46Å; D85-G100 PolarHBondContact O-N 3.45Å
86L94.1Very high95.3Very high113 Ų11346 Ų4659%0.59226%0.258SS*.SBendtrans-70-33.4168.8-70.4173.2000111.5Q99 D101L86-Q99 WeakPolarHBondContact O-CG 3.09Å; L86-Q99 PolarHBondContact O-NE2 3.21Å; L86-D101 HydrophobicContact CD2-CB 3.73Å
87Q91.7Very high95.5Very high125 Ų12547 Ų4758%0.58426%0.262SS*.SBendtrans-87.1144.1-179.2-62-171.3-21.100111.9A55 D85A55-Q87 HydrophobicContact CB-CB 4.04Å; D85-Q87 VanDerWaalsContact C-N 3.32Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.41Å; D85-Q87 PolarHBondContact OD1-N 2.86Å
88A92.2Very high95.8Very high43 Ų4339.7 Ų39.736%0.35523%0.231SC..  trans-67.4139.6171.900000111.4V288A88-V288 HydrophobicContact CB-CG1 4.28Å
89M92.7Very high96.1Very high27 Ų2744 Ų4413%0.13325%0.246CC..  trans-123147.6-179.9177.3168.369.700110.3A54 P56 G57 A83 I92 Q97A54-M89 HydrophobicContact CB-CE 4.48Å; P56-M89 WeakPolarHBondContact O-CG 3.45Å; G57-M89 WeakPolarHBondContact CA-SD 3.46Å; G57-M89 PolarHBondContact N-SD 3.41Å; A83-M89 HydrophobicContact CB-CE 3.77Å; M89-I92 HydrophobicContact CE-CD1 4.21Å; M89-I92 HydrophobicContact SD-CD1 4.18Å; M89-Q97 HydrophobicContact CE-CG 3.49Å; M89-Q97 VanDerWaalsContact CE-CG 3.49Å; M89-Q97 PolarHBondContact O-OE1 3.08Å
90A93.3Very high96.1Very high26 Ų2644.4 Ų44.422%0.21525%0.252CS..  trans-72.8147.5173.500000110R22 Q97 Q285 V288R22-A90 VanDerWaalsContact CZ-O 3.27Å; R22-A90 PolarHBondContact NH1-O 3.02Å; R22-A90 PolarHBondContact NH2-O 3.31Å; A90-Q97 PolarHBondContact O-OE1 3.44Å; A90-Q285 HydrophobicContact CB-CG 3.99Å; A90-V288 HydrophobicContact CB-CG2 4.4Å
91P95.4Very high96Very high107 Ų10744.4 Ų44.470%0.69525%0.254SS*.  trans-60.6141.9-173.723-33.5000113.5R22R22-P91 PolarHBondContact NH2-O 3.38Å
92I96.4Very high95.8Very high12 Ų1245 Ų456%0.06226%0.258CS..  trans-117.9130.9172.3-59.9168.3000107.3G57 S60 Q61 M89 V95G57-I92 VanDerWaalsContact O-CD1 3.29Å; G57-I92 WeakPolarHBondContact O-CD1 3.39Å; S60-I92 VanDerWaalsContact CB-CD1 3.48Å; Q61-I92 HydrophobicContact CG-CD1 3.85Å; Q61-I92 HydrophobicContact CG-CG1 4.28Å; Q61-I92 HydrophobicContact CG-CG2 4.33Å; M89-I92 HydrophobicContact CE-CD1 4.21Å; M89-I92 HydrophobicContact SD-CD1 4.18Å; I92-V95 HydrophobicContact CB-CB 4.03Å; I92-V95 HydrophobicContact CB-CG2 3.97Å; I92-V95 HydrophobicContact CG2-CB 4.34Å; I92-V95 HydrophobicContact CG2-CG2 3.73Å; I92-V95 PolarHBondContact O-N 3.46Å
93P95.4Very high95.5Very high81 Ų8149.2 Ų49.253%0.52628%0.283SS..THydrogen-bonded Turntrans-52.7141.4173.8-25.735.3000111.7S64 W68 V95S64-P93 PolarHBondContact OG-O 2.9Å; W68-P93 HydrophobicContact CE3-CB 4.47Å; W68-P93 HydrophobicContact CH2-CB 4.25Å; W68-P93 HydrophobicContact CZ3-CB 3.75Å; P93-V95 PolarHBondContact O-N 3.29Å; P93-V95 VanDerWaalsContact O-N 3.12Å
94G95.7Very high95.2Very high24 Ų2451.5 Ų51.525%0.24730%0.3CS..THydrogen-bonded Turntrans71.8-2.1179.900000116.2W68W68-G94 VanDerWaalsContact CD2-CA 3.48Å
95V98.1Very high94.9Very high13 Ų1354.5 Ų54.58%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-115.4121.3-176.9-176.10000111.4I81 A83 I92 P93 Q97I81-V95 HydrophobicContact CB-CG2 4.28Å; I81-V95 HydrophobicContact CG2-CG1 4.15Å; I81-V95 HydrophobicContact CG2-CG2 4.07Å; A83-V95 HydrophobicContact CB-CG1 3.61Å; I92-V95 HydrophobicContact CB-CB 4.03Å; I92-V95 HydrophobicContact CB-CG2 3.97Å; I92-V95 HydrophobicContact CG2-CB 4.34Å; I92-V95 HydrophobicContact CG2-CG2 3.73Å; I92-V95 PolarHBondContact O-N 3.46Å; P93-V95 PolarHBondContact O-N 3.29Å; P93-V95 VanDerWaalsContact O-N 3.12Å; V95-Q97 HydrophobicContact CG1-CG 4.4Å; V95-Q97 PolarHBondContact O-NE2 3.44Å
96I97.8Very high94.8Very high45 Ų4557.3 Ų57.323%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-80.4129.9170.5-59.8165000107.5K80 I81 V82 A83 H114K80-I96 HydrophobicContact CD-CD1 4.28Å; I81-I96 PolarHBondContact O-N 3.35Å; V82-I96 CarbonylContact C-O 3.51Å; V82-I96 WeakPolarHBondContact CA-O 3.28Å; V82-I96 HydrophobicContact CG2-CB 4.29Å; V82-I96 HydrophobicContact CG2-CD1 4.35Å; A83-I96 PolarHBondContact N-O 3.14Å; I96-H114 HydrophobicContact CD1-CB 4.21Å
97Q97.5Very high94.8Very high66 Ų6652.1 Ų52.131%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-113.8129.5-178-7515187.500110.6A83 M89 A90 V95A83-Q97 HydrophobicContact CB-CG 4.28Å; A83-Q97 WeakPolarHBondContact O-CA 3.46Å; M89-Q97 HydrophobicContact CE-CG 3.49Å; M89-Q97 VanDerWaalsContact CE-CG 3.49Å; M89-Q97 PolarHBondContact O-OE1 3.08Å; A90-Q97 PolarHBondContact O-OE1 3.44Å; V95-Q97 HydrophobicContact CG1-CG 4.4Å; V95-Q97 PolarHBondContact O-NE2 3.44Å
98I97.5Very high94.9Very high10 Ų1046.3 Ų46.35%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-116.5121.8174.2-61.4171.5000106.9V82 A83 V84 D85 G100 Q110 I111V82-I98 HydrophobicContact CG1-CD1 3.45Å; V82-I98 VanDerWaalsContact CG1-CD1 3.45Å; V82-I98 HydrophobicContact CG1-CG1 4.11Å; A83-I98 PolarHBondContact O-N 3.03Å; V84-I98 WeakPolarHBondContact CA-O 3.36Å; V84-I98 HydrophobicContact CG2-CB 4.3Å; V84-I98 HydrophobicContact CG2-CD1 4.45Å; D85-I98 PolarHBondContact N-O 2.73Å; I98-G100 PolarHBondContact O-N 2.63Å; I98-Q110 HydrophobicContact CD1-CB 3.9Å; I98-Q110 VanDerWaalsContact CG2-OE1 3.24Å; I98-I111 HydrophobicContact CD1-CG1 3.94Å
99Q96.8Very high95Very high136 Ų13649.5 Ų49.564%0.63628%0.282SS*.EExtended strand (participates in β ladder)trans-86.7107.1166.2-169.4179-600107.9D85 L86D85-Q99 CarbonylContact O-C 3.54Å; D85-Q99 VanDerWaalsContact O-CA 3.23Å; D85-Q99 WeakPolarHBondContact O-CA 3.3Å; L86-Q99 WeakPolarHBondContact O-CG 3.09Å; L86-Q99 PolarHBondContact O-NE2 3.21Å
100G95.9Very high95.2Very high14 Ų1451.3 Ų51.314%0.14429%0.29CS..  trans-166.5156.9-171.600000113.4D85 I98D85-G100 CarbonylContact C-O 3.46Å; D85-G100 PolarHBondContact O-N 3.45Å; I98-G100 PolarHBondContact O-N 2.63Å
101D95.1Very high95.3Very high64 Ų6450 Ų5034%0.34228%0.28SS..  trans-83.5123.2174.9-171.8-24.1000109.7L86 T103 S104 T107L86-D101 HydrophobicContact CD2-CB 3.73Å; D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 WeakPolarHBondContact OD1-CB 3.33Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.44Å; D101-T103 PolarHBondContact OD1-N 2.82Å; D101-T103 PolarHBondContact OD1-OG1 3.18Å; D101-T103 PolarHBondContact OD2-OG1 3.11Å; D101-T103 VanDerWaalsContact OD2-OG1 3.09Å; D101-S104 WeakPolarHBondContact O-CB 3.39Å; D101-S104 PolarHBondContact O-N 2.98Å; D101-T107 PolarHBondContact N-OG1 3.32Å; D101-T107 WeakPolarHBondContact O-CB 3.34Å; D101-T107 PolarHBondContact O-OG1 2.95Å
102I94.1Very high95.3Very high13 Ų1347.2 Ų47.27%0.06726%0.259CS..THydrogen-bonded Turntrans-65.4-16.4179.464.9168.1000113.2L52 V84 L145 A148 I152L52-I102 HydrophobicContact CB-CG2 4.46Å; L52-I102 HydrophobicContact CD2-CG2 3.9Å; V84-I102 HydrophobicContact CB-CG2 4.5Å; V84-I102 HydrophobicContact CG1-CG2 3.89Å; I102-L145 HydrophobicContact CD1-CD1 3.94Å; I102-A148 HydrophobicContact CD1-CB 4.04Å; I102-A148 HydrophobicContact CG1-CB 4.28Å; I102-I152 HydrophobicContact CB-CD1 4.37Å; I102-I152 WeakPolarHBondContact O-CD1 3.39Å
103T92.4Very high95.3Very high88 Ų8854.6 Ų54.654%0.5429%0.29SS..THydrogen-bonded Turntrans-80.6-18.6173.669.70000112.5D101 A148D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 WeakPolarHBondContact OD1-CB 3.33Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.44Å; D101-T103 PolarHBondContact OD1-N 2.82Å; D101-T103 PolarHBondContact OD1-OG1 3.18Å; D101-T103 PolarHBondContact OD2-OG1 3.11Å; D101-T103 VanDerWaalsContact OD2-OG1 3.09Å; T103-A148 HydrophobicContact CG2-CB 3.75Å
104S92Very high95.3Very high50 Ų5054.1 Ų54.135%0.3528%0.281SS..SBendtrans-78.8136.9-179.21800000112D101 D106 T107 A108D101-S104 WeakPolarHBondContact O-CB 3.39Å; D101-S104 PolarHBondContact O-N 2.98Å; S104-D106 VanDerWaalsContact C-N 3.26Å; S104-D106 PolarHBondContact O-N 3.09Å; S104-D106 PolarHBondContact OG-N 2.71Å; S104-T107 PolarHBondContact O-N 2.91Å; S104-A108 PolarHBondContact O-N 2.81Å
105Q91Very high95.3Very high63 Ų6353 Ų5329%0.29427%0.27SS..Hα-helixtrans-64.1-32.4173.5-170.3-179.728.900112.2T107 A108 Q109 D232Q105-T107 VanDerWaalsContact C-N 3.34Å; Q105-T107 PolarHBondContact O-N 2.89Å; Q105-A108 WeakPolarHBondContact O-CB 2.94Å; Q105-A108 PolarHBondContact O-N 2.72Å; Q105-Q109 WeakPolarHBondContact O-CG 3.32Å; Q105-Q109 PolarHBondContact O-N 2.72Å; Q105-D232 PolarHBondContact OE1-OD1 2.95Å
106D94.7Very high95Very high84 Ų8458.9 Ų58.945%0.44930%0.3SS..Hα-helixtrans-60.7-44.9178.2-178.567.2000110.9S104 A108 Q109 Q110S104-D106 VanDerWaalsContact C-N 3.26Å; S104-D106 PolarHBondContact O-N 3.09Å; S104-D106 PolarHBondContact OG-N 2.71Å; D106-A108 VanDerWaalsContact C-N 3.31Å; D106-A108 PolarHBondContact O-N 3.17Å; D106-Q109 WeakPolarHBondContact O-CB 3.39Å; D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.08Å; D106-Q110 WeakPolarHBondContact O-CG 3.28Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact OD2-NE2 3.41Å
107T95.2Very high94.5Very high3 Ų359.4 Ų59.42%0.01832%0.317CS..Hα-helixtrans-57.2-44.5175.8-54.50000111.5V84 D101 S104 Q105 Q109 Q110 I111 I152V84-T107 HydrophobicContact CG1-CG2 3.46Å; V84-T107 VanDerWaalsContact CG1-CG2 3.46Å; D101-T107 PolarHBondContact N-OG1 3.32Å; D101-T107 WeakPolarHBondContact O-CB 3.34Å; D101-T107 PolarHBondContact O-OG1 2.95Å; S104-T107 PolarHBondContact O-N 2.91Å; Q105-T107 VanDerWaalsContact C-N 3.34Å; Q105-T107 PolarHBondContact O-N 2.89Å; T107-Q109 VanDerWaalsContact C-N 3.35Å; T107-Q109 PolarHBondContact O-N 3.11Å; T107-Q110 PolarHBondContact O-N 2.66Å; T107-I111 HydrophobicContact CG2-CD1 4.32Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.49Å; T107-I111 PolarHBondContact O-N 2.92Å; T107-I152 HydrophobicContact CG2-CD1 4.31Å
108A93.2Very high94.3Very high4 Ų462.1 Ų62.13%0.03333%0.328CS..Hα-helixtrans-61.9-41.6176.300000112.2S104 Q105 D106 I111 I112 I152 V156S104-A108 PolarHBondContact O-N 2.81Å; Q105-A108 WeakPolarHBondContact O-CB 2.94Å; Q105-A108 PolarHBondContact O-N 2.72Å; D106-A108 VanDerWaalsContact C-N 3.31Å; D106-A108 PolarHBondContact O-N 3.17Å; A108-I111 PolarHBondContact O-N 3.42Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 2.89Å; A108-I112 VanDerWaalsContact O-N 3.11Å; A108-I152 HydrophobicContact CB-CD1 4.17Å; A108-I152 HydrophobicContact CB-CG1 4.09Å; A108-V156 HydrophobicContact CB-CG1 4.21Å
109Q94Very high94.2Very high109 Ų10964.8 Ų64.851%0.50934%0.342SS..Hα-helixtrans-65.6-40.1176.7-68.9177.11100112.1Q105 D106 T107 I112 K113Q105-Q109 WeakPolarHBondContact O-CG 3.32Å; Q105-Q109 PolarHBondContact O-N 2.72Å; D106-Q109 WeakPolarHBondContact O-CB 3.39Å; D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.08Å; T107-Q109 VanDerWaalsContact C-N 3.35Å; T107-Q109 PolarHBondContact O-N 3.11Å; Q109-I112 PolarHBondContact O-N 2.97Å; Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 2.92Å
110Q96.7Very high94.2Very high65 Ų6558.3 Ų58.330%0.30431%0.311SS..Hα-helixtrans-62.6-43.3176-68.2-173.321.900111.6I98 D106 T107 I112 K113 H114I98-Q110 HydrophobicContact CD1-CB 3.9Å; I98-Q110 VanDerWaalsContact CG2-OE1 3.24Å; D106-Q110 WeakPolarHBondContact O-CG 3.28Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact OD2-NE2 3.41Å; T107-Q110 PolarHBondContact O-N 2.66Å; Q110-I112 PolarHBondContact O-N 3.18Å; Q110-K113 WeakPolarHBondContact O-CB 3.33Å; Q110-K113 PolarHBondContact O-N 3.19Å; Q110-H114 PolarHBondContact O-CD2 2.9Å; Q110-H114 PolarHBondContact O-N 3Å
111I96.3Very high94.2Very high0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-57.6-51.6175.3-66164.3000110.5V50 V82 V84 I98 T107 A108 K113 H114 F115 I152 V156V50-I111 HydrophobicContact CG1-CD1 4.24Å; V50-I111 HydrophobicContact CG2-CG2 3.67Å; V82-I111 HydrophobicContact CG1-CG1 4.06Å; V84-I111 HydrophobicContact CG2-CD1 3.83Å; V84-I111 HydrophobicContact CG2-CG1 3.92Å; I98-I111 HydrophobicContact CD1-CG1 3.94Å; T107-I111 HydrophobicContact CG2-CD1 4.32Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.49Å; T107-I111 PolarHBondContact O-N 2.92Å; A108-I111 PolarHBondContact O-N 3.42Å; I111-K113 VanDerWaalsContact C-N 3.28Å; I111-K113 PolarHBondContact O-N 3Å; I111-H114 PolarHBondContact O-N 3.16Å; I111-H114 VanDerWaalsContact O-N 3.13Å; I111-F115 HydrophobicContact CG2-CD2 3.93Å; I111-F115 HydrophobicContact CG2-CE2 3.46Å; I111-F115 VanDerWaalsContact CG2-CE2 3.46Å; I111-F115 HydrophobicContact CG2-CZ 4.33Å; I111-F115 WeakPolarHBondContact O-CD2 3.24Å; I111-F115 PolarHBondContact O-N 3.1Å; I111-I152 HydrophobicContact CD1-CD1 3.71Å; I111-I152 HydrophobicContact CD1-CG1 4.43Å; I111-V156 HydrophobicContact CB-CG1 4.36Å; I111-V156 HydrophobicContact CD1-CG1 4.31Å; I111-V156 HydrophobicContact CG2-CB 4.29Å; I111-V156 HydrophobicContact CG2-CG1 4.16Å
112I94.5Very high94.3Very high48 Ų4855.3 Ų55.325%0.24629%0.291CS..Hα-helixtrans-61.4-39.2-179.3-66.5165000111.1A108 Q109 Q110 H114 F115 D116 G117 L119 V156A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 2.89Å; A108-I112 VanDerWaalsContact O-N 3.11Å; Q109-I112 PolarHBondContact O-N 2.97Å; Q110-I112 PolarHBondContact O-N 3.18Å; I112-H114 VanDerWaalsContact C-N 3.32Å; I112-H114 PolarHBondContact O-N 3.31Å; I112-F115 CarbonylContact O-C 3.55Å; I112-F115 PolarHBondContact O-N 2.8Å; I112-F115 VanDerWaalsContact O-N 3.14Å; I112-D116 PolarHBondContact O-N 2.82Å; I112-G117 PolarHBondContact O-N 2.85Å; I112-L119 HydrophobicContact CG1-CD2 4.49Å; I112-V156 HydrophobicContact CD1-CG1 4.48Å; I112-V156 HydrophobicContact CG1-CG1 4.27Å
113K96.4Very high94.5Very high166 Ų16654.7 Ų54.772%0.72229%0.288SS*.Hα-helixtrans-60.9-40.4176.1-176.9-178.7178.4-1780112Q109 Q110 I111 F115 D116Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 2.92Å; Q110-K113 WeakPolarHBondContact O-CB 3.33Å; Q110-K113 PolarHBondContact O-N 3.19Å; I111-K113 VanDerWaalsContact C-N 3.28Å; I111-K113 PolarHBondContact O-N 3Å; K113-F115 PolarHBondContact O-N 3Å; K113-D116 PolarHBondContact O-N 3.47Å
114H96.3Very high94.8Very high71 Ų7150.5 Ų50.533%0.32926%0.263SS..Hα-helixtrans-70.6-17177.2-80.2-66.2000114.2V82 I96 Q110 I111 I112V82-H114 HydrophobicContact CG2-CB 3.9Å; I96-H114 HydrophobicContact CD1-CB 4.21Å; Q110-H114 PolarHBondContact O-CD2 2.9Å; Q110-H114 PolarHBondContact O-N 3Å; I111-H114 PolarHBondContact O-N 3.16Å; I111-H114 VanDerWaalsContact O-N 3.13Å; I112-H114 VanDerWaalsContact C-N 3.32Å; I112-H114 PolarHBondContact O-N 3.31Å
115F95.3Very high95.1Very high2 Ų248.1 Ų48.11%0.00925%0.246CC..THydrogen-bonded Turntrans-96.916.5172.4-64.1-38.5000113.7R48 V50 K80 V82 I111 I112 K113 G117 K118 A120R48-F115 HydrophobicContact CB-CD1 3.99Å; R48-F115 HydrophobicContact CB-CE1 3.93Å; R48-F115 HydrophobicContact CB-CG 4.39Å; R48-F115 HydrophobicContact CB-CZ 4.28Å; R48-F115 HydrophobicContact CG-CD1 3.93Å; R48-F115 HydrophobicContact CG-CE1 4.31Å; R48-F115 HydrophobicContact CG-CG 4.35Å; V50-F115 HydrophobicContact CG2-CE2 3.5Å; V50-F115 HydrophobicContact CG2-CZ 3.65Å; K80-F115 HydrophobicContact CB-CD1 3.61Å; K80-F115 HydrophobicContact CB-CE1 3.62Å; K80-F115 HydrophobicContact CG-CD1 4.33Å; K80-F115 WeakPolarHBondContact O-CE1 3.33Å; V82-F115 HydrophobicContact CB-CE1 4.42Å; V82-F115 HydrophobicContact CB-CZ 4.04Å; V82-F115 HydrophobicContact CG2-CD1 4.29Å; V82-F115 HydrophobicContact CG2-CE1 3.56Å; V82-F115 HydrophobicContact CG2-CE2 4.39Å; V82-F115 HydrophobicContact CG2-CZ 3.62Å; I111-F115 HydrophobicContact CG2-CD2 3.93Å; I111-F115 HydrophobicContact CG2-CE2 3.46Å; I111-F115 VanDerWaalsContact CG2-CE2 3.46Å; I111-F115 HydrophobicContact CG2-CZ 4.33Å; I111-F115 WeakPolarHBondContact O-CD2 3.24Å; I111-F115 PolarHBondContact O-N 3.1Å; I112-F115 CarbonylContact O-C 3.55Å; I112-F115 PolarHBondContact O-N 2.8Å; I112-F115 VanDerWaalsContact O-N 3.14Å; K113-F115 PolarHBondContact O-N 3Å; F115-G117 PolarHBondContact O-N 2.87Å; F115-K118 HydrophobicContact CB-CB 4.49Å; F115-K118 WeakPolarHBondContact CB-O 3.38Å; F115-K118 WeakPolarHBondContact O-CB 3.23Å; F115-K118 PolarHBondContact O-N 2.9Å; F115-A120 HydrophobicContact CE2-CB 3.85Å; F115-A120 HydrophobicContact CZ-CB 4.41Å
116D92.2Very high95.3Very high136 Ų13646.4 Ų46.473%0.72724%0.239SC*.THydrogen-bonded Turntrans55.635.5-179.9-54-53.5000112.5I112 K113 K118I112-D116 PolarHBondContact O-N 2.82Å; K113-D116 PolarHBondContact O-N 3.47Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 2.89Å
117G87.8Confident95.2Very high56 Ų5642.7 Ų42.758%0.57722%0.221SC*.THydrogen-bonded Turntrans83.1-2.8-178.500000115.1I112 F115I112-G117 PolarHBondContact O-N 2.85Å; F115-G117 PolarHBondContact O-N 2.87Å
118K93.1Very high94.9Very high123 Ų12344.8 Ų44.854%0.53524%0.238SC..PPolyproline II helixtrans-81.8155.7173-61.9-179.5179.7176.70111.2F115 D116F115-K118 HydrophobicContact CB-CB 4.49Å; F115-K118 WeakPolarHBondContact CB-O 3.38Å; F115-K118 WeakPolarHBondContact O-CB 3.23Å; F115-K118 PolarHBondContact O-N 2.9Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 2.89Å
119L94.7Very high94.6Very high66 Ų6645.9 Ų45.935%0.34625%0.245SC..PPolyproline II helixtrans-89.3153.8175.8-61.7179.2000111.1R48 I112 R155 V156 E158R48-L119 PolarHBondContact NE-O 2.91Å; I112-L119 HydrophobicContact CG1-CD2 4.49Å; L119-R155 VanDerWaalsContact CD2-O 3.32Å; L119-R155 WeakPolarHBondContact CD2-O 3.45Å; L119-V156 CarbonylContact C-O 3.53Å; L119-E158 HydrophobicContact CB-CB 3.69Å; L119-E158 HydrophobicContact CD1-CB 4.48Å
120A96.3Very high94.2Very high0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-68.9146.6177.600000112.1V50 F115 V123 V156 L157 E158V50-A120 HydrophobicContact CG2-CB 3.73Å; F115-A120 HydrophobicContact CE2-CB 3.85Å; F115-A120 HydrophobicContact CZ-CB 4.41Å; A120-V123 HydrophobicContact CB-CG2 4.23Å; A120-V156 WeakPolarHBondContact CB-O 3.45Å; A120-V156 PolarHBondContact N-O 2.93Å; A120-L157 WeakPolarHBondContact O-CD1 3.43Å; A120-E158 WeakPolarHBondContact O-CB 3.45Å; A120-E158 WeakPolarHBondContact O-CG 3.41Å; A120-E158 PolarHBondContact O-N 2.9Å
121Q96.4Very high93.6Very high12 Ų1250 Ų506%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-89.7-32174.8-74.7155.8-50.200112.1P45 L46 R48 E158 G161 T162P45-Q121 PolarHBondContact O-NE2 3.35Å; L46-Q121 HydrophobicContact CD1-CB 3.42Å; L46-Q121 VanDerWaalsContact CD1-CB 3.42Å; L46-Q121 HydrophobicContact CD1-CG 4.39Å; R48-Q121 PolarHBondContact O-N 2.86Å; Q121-E158 VanDerWaalsContact CG-CD 3.46Å; Q121-E158 HydrophobicContact CG-CG 4.44Å; Q121-E158 WeakPolarHBondContact CG-OE1 2.96Å; Q121-G161 VanDerWaalsContact O-CA 3.3Å; Q121-G161 WeakPolarHBondContact O-CA 3.26Å; Q121-T162 PolarHBondContact O-N 3.06Å
122L97.7Very high93.1Very high2 Ų253.8 Ų53.81%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-135.5130.9-179.5175.365.8000109.4F39 L46 R48 V49 V50 V124 T162 V164F39-L122 HydrophobicContact CD1-CD2 4.03Å; F39-L122 HydrophobicContact CE1-CD2 4.06Å; L46-L122 HydrophobicContact CD1-CB 3.89Å; L46-L122 HydrophobicContact CD2-CB 4.31Å; L46-L122 HydrophobicContact CD2-CD2 3.82Å; R48-L122 PolarHBondContact O-N 2.65Å; V49-L122 WeakPolarHBondContact CA-O 3.48Å; V49-L122 HydrophobicContact CG1-CB 4.09Å; V49-L122 HydrophobicContact CG1-CD2 3.93Å; V49-L122 HydrophobicContact CG1-CG 4.02Å; V49-L122 HydrophobicContact CG2-CB 4.17Å; V49-L122 HydrophobicContact CG2-CD2 4.43Å; V50-L122 PolarHBondContact N-O 3.27Å; L122-V124 HydrophobicContact CD1-CG1 3.9Å; L122-V124 HydrophobicContact CD2-CG1 3.92Å; L122-V124 HydrophobicContact CG-CG1 3.78Å; L122-T162 WeakPolarHBondContact CA-O 3.44Å; L122-T162 HydrophobicContact CD1-CG2 3.75Å; L122-V164 HydrophobicContact CD1-CG2 4.37Å
123V98.3Very high92.7Very high0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-119.4126.6168.1178.30000108.4V50 L52 A120 C153 V156 L157 T162 F163 V164V50-V123 HydrophobicContact CB-CG1 4.36Å; V50-V123 HydrophobicContact CB-CG2 4.07Å; V50-V123 HydrophobicContact CG2-CG2 4.38Å; V50-V123 WeakPolarHBondContact O-CA 3.32Å; L52-V123 HydrophobicContact CD1-CG1 3.51Å; L52-V123 HydrophobicContact CG-CG1 3.85Å; A120-V123 HydrophobicContact CB-CG2 4.23Å; V123-C153 WeakPolarHBondContact CG1-SG 3.27Å; V123-V156 HydrophobicContact CG2-CG2 4.03Å; V123-L157 HydrophobicContact CB-CD1 4.43Å; V123-L157 HydrophobicContact CG2-CB 4.3Å; V123-L157 HydrophobicContact CG2-CD1 3.79Å; V123-T162 PolarHBondContact N-O 2.83Å; V123-F163 HydrophobicContact CB-CD2 4.09Å; V123-F163 HydrophobicContact CG1-CD2 4.05Å; V123-F163 HydrophobicContact CG1-CE2 4.27Å; V123-F163 CarbonylContact O-C 3.54Å; V123-F163 WeakPolarHBondContact O-CA 3.23Å; V123-V164 PolarHBondContact O-N 2.94Å
124V98.4Very high92.4Very high0 Ų051.3 Ų51.30%031%0.305CS..EExtended strand (participates in β ladder)trans-119.1146.5178.1-580000110.5L29 V50 D51 L52 W59 L63 L122 V164L29-V124 HydrophobicContact CD1-CG1 4.43Å; V50-V124 PolarHBondContact O-N 3.4Å; D51-V124 HydrophobicContact CB-CG2 4.03Å; L52-V124 PolarHBondContact N-O 3.23Å; W59-V124 HydrophobicContact CE3-CB 3.71Å; W59-V124 HydrophobicContact CE3-CG2 3.74Å; W59-V124 HydrophobicContact CZ3-CB 3.69Å; W59-V124 HydrophobicContact CZ3-CG2 4.26Å; L63-V124 HydrophobicContact CD1-CG2 4.01Å; L122-V124 HydrophobicContact CD1-CG1 3.9Å; L122-V124 HydrophobicContact CD2-CG1 3.92Å; L122-V124 HydrophobicContact CG-CG1 3.78Å; V124-V164 CarbonylContact C-O 3.55Å; V124-V164 VanDerWaalsContact CA-O 3.25Å; V124-V164 WeakPolarHBondContact CA-O 3.29Å; V124-V164 HydrophobicContact CG1-CB 4.23Å
125C97.7Very high91.9Very high1 Ų153.8 Ų53.81%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-148109.5-179.6-1760000111.9L52 V164 A165 K166L52-C125 HydrophobicContact CB-CB 4Å; L52-C125 WeakPolarHBondContact O-CA 3.43Å; C125-V164 PolarHBondContact N-O 2.96Å; C125-A165 HydrophobicContact CB-CB 4Å; C125-A165 CarbonylContact O-C 3.56Å; C125-A165 VanDerWaalsContact O-CA 3.3Å; C125-A165 WeakPolarHBondContact O-CA 3.16Å; C125-K166 PolarHBondContact O-N 2.68Å
126D96.4Very high91.6Very high27 Ų2759.4 Ų59.414%0.14435%0.347CS..  trans-98.916.7171.4-166.833.5000112.3S25 K28 W59 K166 F204S25-D126 WeakPolarHBondContact CB-OD2 3.45Å; S25-D126 PolarHBondContact OG-OD2 3.41Å; K28-D126 IonicContact NZ-OD1 3.02Å; K28-D126 IonicContact NZ-OD2 3.22Å; W59-D126 HydrophobicContact CD2-CB 3.78Å; W59-D126 HydrophobicContact CE3-CB 4.01Å; W59-D126 HydrophobicContact CG-CB 4.43Å; W59-D126 HydrophobicContact CH2-CB 4.04Å; W59-D126 HydrophobicContact CZ2-CB 3.77Å; W59-D126 HydrophobicContact CZ3-CB 4.11Å; D126-K166 WeakPolarHBondContact OD1-CD 3.13Å; D126-F204 WeakPolarHBondContact OD1-CE1 3.41Å; D126-F204 VanDerWaalsContact OD1-CZ 3.26Å; D126-F204 WeakPolarHBondContact OD1-CZ 3.35Å
127G92.3Very high91.5Very high6 Ų656.6 Ų56.66%0.06233%0.331CS..  trans-60.5141.3-179.500000112.7Q142 L145G127-Q142 PolarHBondContact O-NE2 3.46Å; G127-L145 WeakPolarHBondContact O-CD2 3.31Å
128A89.6Confident91.6Very high46 Ų4654.2 Ų54.238%0.3831%0.305SS..  trans-146.4145.9172.300000111K166A128-K166 HydrophobicContact CB-CD 4.21Å; A128-K166 VanDerWaalsContact CB-NZ 3.29Å
129P86.4Confident91.5Very high28 Ų2849.7 Ų49.718%0.18229%0.286CS..PPolyproline II helixtrans-71.9167172.733.4-34.9000111V131 V141P129-V131 PolarHBondContact O-N 3.41Å; P129-V141 HydrophobicContact CB-CB 4.18Å; P129-V141 HydrophobicContact CB-CG1 3.41Å; P129-V141 VanDerWaalsContact CB-CG1 3.41Å; P129-V141 HydrophobicContact CG-CB 4.05Å; P129-V141 HydrophobicContact CG-CG1 3.78Å
130D85.6Confident91.3Very high158 Ų15854 Ų5485%0.84530%0.299SS*.PPolyproline II helixtrans-61.2118.4167.9-71.4-40.7000109.7T132D130-T132 PolarHBondContact O-N 2.97Å
131V83.5Confident91.1Very high102 Ų10256.8 Ų56.862%0.61832%0.316SS*.PPolyproline II helixtrans-70.5116.4-177.9179.30000109P129 D138P129-V131 PolarHBondContact O-N 3.41Å; V131-D138 WeakPolarHBondContact CG1-OD2 3.45Å
132T87.2Confident91Very high79 Ų7956.3 Ų56.349%0.48531%0.314SS..  trans-81.2-21.3178.866.80000112.1D130 L134 L137 D138D130-T132 PolarHBondContact O-N 2.97Å; T132-L134 VanDerWaalsContact C-N 3.27Å; T132-L134 PolarHBondContact OG1-N 3.47Å; T132-L137 HydrophobicContact CG2-CD2 4.09Å; T132-D138 WeakPolarHBondContact CB-OD1 3.14Å; T132-D138 PolarHBondContact N-OD1 3.2Å; T132-D138 PolarHBondContact OG1-OD1 3.01Å
133G85.2Confident90.6Very high49 Ų4959 Ų5951%0.50533%0.332SS..SBendtrans87.4-5.2-172.500000113.1D138G133-D138 PolarHBondContact N-OD2 2.85Å; G133-D138 VanDerWaalsContact N-OD2 3.11Å
134L89.3Confident90.3Very high114 Ų11464.3 Ų64.360%0.59736%0.357SS*.  trans-92.297.6170-61.5177.5000108.4T132 D136 L137 D138T132-L134 VanDerWaalsContact C-N 3.27Å; T132-L134 PolarHBondContact OG1-N 3.47Å; L134-D136 VanDerWaalsContact C-N 3.28Å; L134-D136 PolarHBondContact O-N 3.42Å; L134-D136 VanDerWaalsContact O-N 3.16Å; L134-L137 HydrophobicContact CB-CB 4.06Å; L134-L137 HydrophobicContact CD1-CD2 4.47Å; L134-L137 PolarHBondContact O-N 3.16Å; L134-D138 PolarHBondContact O-N 3.36Å
135H86.8Confident90.1Very high123 Ų12366 Ų6657%0.56937%0.366SS*.Hα-helixtrans-52.5-41.8-171.8-64.5-48000114.3L137 D138 E139 L201H135-L137 VanDerWaalsContact C-N 3.35Å; H135-L137 PolarHBondContact O-N 3.5Å; H135-D138 PolarHBondContact O-N 3.28Å; H135-E139 WeakPolarHBondContact O-CB 3.39Å; H135-E139 PolarHBondContact O-N 3.49Å; H135-L201 HydrophobicContact CB-CD1 4.33Å
136D88.3Confident89.9Confident119 Ų11966.1 Ų66.164%0.63637%0.366SS*.Hα-helixtrans-65.4-37.9179.9-62.1-19.6000112L134 Y140L134-D136 VanDerWaalsContact C-N 3.28Å; L134-D136 PolarHBondContact O-N 3.42Å; L134-D136 VanDerWaalsContact O-N 3.16Å; D136-Y140 WeakPolarHBondContact O-CB 3.43Å; D136-Y140 PolarHBondContact O-N 2.8Å; D136-Y140 VanDerWaalsContact O-N 3.13Å
137L90.1Very high89.7Confident77 Ų7768 Ų6840%0.40338%0.376SS..Hα-helixtrans-73-43.7177-178.562.4000110.9T132 L134 H135 E139 Y140 V141T132-L137 HydrophobicContact CG2-CD2 4.09Å; L134-L137 HydrophobicContact CB-CB 4.06Å; L134-L137 HydrophobicContact CD1-CD2 4.47Å; L134-L137 PolarHBondContact O-N 3.16Å; H135-L137 VanDerWaalsContact C-N 3.35Å; H135-L137 PolarHBondContact O-N 3.5Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 3.05Å; L137-Y140 PolarHBondContact O-N 2.85Å; L137-V141 HydrophobicContact CD1-CG2 4.19Å; L137-V141 HydrophobicContact CG-CG2 4.41Å; L137-V141 WeakPolarHBondContact O-CG2 3.24Å; L137-V141 PolarHBondContact O-N 2.81Å
138D90.8Very high89.8Confident6 Ų668.2 Ų68.23%0.03238%0.377CS..Hα-helixtrans-61.6-40178.5-65.5-24.2000110.9V131 T132 G133 L134 H135 Q142 F168V131-D138 WeakPolarHBondContact CG1-OD2 3.45Å; T132-D138 WeakPolarHBondContact CB-OD1 3.14Å; T132-D138 PolarHBondContact N-OD1 3.2Å; T132-D138 PolarHBondContact OG1-OD1 3.01Å; G133-D138 PolarHBondContact N-OD2 2.85Å; G133-D138 VanDerWaalsContact N-OD2 3.11Å; L134-D138 PolarHBondContact O-N 3.36Å; H135-D138 PolarHBondContact O-N 3.28Å; D138-Q142 WeakPolarHBondContact O-CB 3.25Å; D138-Q142 PolarHBondContact O-N 3.13Å; D138-F168 HydrophobicContact CB-CD2 4.23Å; D138-F168 HydrophobicContact CB-CE2 4.07Å; D138-F168 WeakPolarHBondContact O-CD2 3.35Å
139E90.2Very high90Very high29 Ų2966 Ų6614%0.13636%0.359CS..Hα-helixtrans-61.9-48.6172.9-176172.3-172.600111.1H135 L137 V141 Q142 S143 G170H135-E139 WeakPolarHBondContact O-CB 3.39Å; H135-E139 PolarHBondContact O-N 3.49Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 3.05Å; E139-V141 PolarHBondContact O-N 2.85Å; E139-Q142 PolarHBondContact O-N 3.03Å; E139-S143 PolarHBondContact O-N 3.02Å; E139-S143 PolarHBondContact O-OG 2.83Å; E139-S143 VanDerWaalsContact O-OG 3.11Å; E139-G170 WeakPolarHBondContact OE1-CA 3.35Å; E139-G170 PolarHBondContact OE1-N 3.19Å; E139-G170 WeakPolarHBondContact OE2-CA 3.03Å
140Y90.3Very high90.4Very high157 Ų15765.3 Ų65.362%0.61635%0.354SS*.Hα-helixtrans-58.7-47.1178.3175.6-97.8000112.9D136 L137 S143 H144D136-Y140 WeakPolarHBondContact O-CB 3.43Å; D136-Y140 PolarHBondContact O-N 2.8Å; D136-Y140 VanDerWaalsContact O-N 3.13Å; L137-Y140 PolarHBondContact O-N 2.85Å; Y140-S143 WeakPolarHBondContact O-CB 3.3Å; Y140-S143 PolarHBondContact O-N 3.04Å; Y140-H144 PolarHBondContact O-N 2.88Å; Y140-H144 VanDerWaalsContact O-N 3.07Å
141V92.6Very high90.6Very high57 Ų5758.3 Ų58.335%0.34532%0.317SS..Hα-helixtrans-68.1-38.7-179.6-177.90000110.8P129 L137 E139 S143 H144 L145P129-V141 HydrophobicContact CB-CB 4.18Å; P129-V141 HydrophobicContact CB-CG1 3.41Å; P129-V141 VanDerWaalsContact CB-CG1 3.41Å; P129-V141 HydrophobicContact CG-CB 4.05Å; P129-V141 HydrophobicContact CG-CG1 3.78Å; L137-V141 HydrophobicContact CD1-CG2 4.19Å; L137-V141 HydrophobicContact CG-CG2 4.41Å; L137-V141 WeakPolarHBondContact O-CG2 3.24Å; L137-V141 PolarHBondContact O-N 2.81Å; E139-V141 PolarHBondContact O-N 2.85Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 2.86Å; V141-H144 WeakPolarHBondContact O-CB 3.42Å; V141-H144 PolarHBondContact O-N 2.93Å; V141-L145 PolarHBondContact O-N 3.18Å; V141-L145 VanDerWaalsContact O-N 3.09Å
142Q93.5Very high91.1Very high3 Ų353.6 Ų53.61%0.01429%0.288CS..Hα-helixtrans-61.4-41.6172.8-174.969.234.600111.3G127 D138 E139 H144 L145 I146 K166 F168G127-Q142 PolarHBondContact O-NE2 3.46Å; D138-Q142 WeakPolarHBondContact O-CB 3.25Å; D138-Q142 PolarHBondContact O-N 3.13Å; E139-Q142 PolarHBondContact O-N 3.03Å; Q142-H144 VanDerWaalsContact C-N 3.27Å; Q142-H144 PolarHBondContact O-N 2.48Å; Q142-L145 WeakPolarHBondContact O-CB 3.45Å; Q142-L145 PolarHBondContact O-N 2.84Å; Q142-L145 VanDerWaalsContact O-N 3.17Å; Q142-I146 WeakPolarHBondContact O-CG1 3.3Å; Q142-I146 PolarHBondContact O-N 3.02Å; Q142-K166 PolarHBondContact NE2-O 2.83Å; Q142-F168 HydrophobicContact CB-CB 4.37Å; Q142-F168 HydrophobicContact CB-CD2 3.73Å; Q142-F168 HydrophobicContact CB-CE2 4.15Å; Q142-F168 HydrophobicContact CB-CG 4.04Å; Q142-F168 HydrophobicContact CG-CB 4.29Å; Q142-F168 HydrophobicContact CG-CD1 4.25Å; Q142-F168 HydrophobicContact CG-CD2 4.12Å; Q142-F168 HydrophobicContact CG-CG 3.96Å
143S91.2Very high91.3Very high57 Ų5749.9 Ų49.940%0.39927%0.266SS..Hα-helixtrans-60.4-36.7175.4-64.90000112.3E139 Y140 V141 I146 L147E139-S143 PolarHBondContact O-N 3.02Å; E139-S143 PolarHBondContact O-OG 2.83Å; E139-S143 VanDerWaalsContact O-OG 3.11Å; Y140-S143 WeakPolarHBondContact O-CB 3.3Å; Y140-S143 PolarHBondContact O-N 3.04Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 2.86Å; S143-I146 PolarHBondContact O-N 2.82Å; S143-L147 PolarHBondContact O-N 3.11Å
144H91.8Very high91.6Very high112 Ų11248.8 Ų48.852%0.51925%0.251SS..Hα-helixtrans-65.4-40.8174.8-159.481.6000112.1Y140 V141 Q142 I146 L147 A148Y140-H144 PolarHBondContact O-N 2.88Å; Y140-H144 VanDerWaalsContact O-N 3.07Å; V141-H144 WeakPolarHBondContact O-CB 3.42Å; V141-H144 PolarHBondContact O-N 2.93Å; Q142-H144 VanDerWaalsContact C-N 3.27Å; Q142-H144 PolarHBondContact O-N 2.48Å; H144-I146 VanDerWaalsContact C-N 3.31Å; H144-I146 PolarHBondContact O-N 3.45Å; H144-L147 WeakPolarHBondContact O-CB 3.28Å; H144-L147 PolarHBondContact O-N 2.82Å; H144-A148 PolarHBondContact O-N 3.23Å
145L93.4Very high91.6Very high35 Ų3546.6 Ų46.618%0.18323%0.234CC..Hα-helixtrans-63.2-38.7174.5-17662.3000112I102 G127 V141 Q142 A148 A149I102-L145 HydrophobicContact CD1-CD1 3.94Å; G127-L145 WeakPolarHBondContact O-CD2 3.31Å; V141-L145 PolarHBondContact O-N 3.18Å; V141-L145 VanDerWaalsContact O-N 3.09Å; Q142-L145 WeakPolarHBondContact O-CB 3.45Å; Q142-L145 PolarHBondContact O-N 2.84Å; Q142-L145 VanDerWaalsContact O-N 3.17Å; L145-A148 WeakPolarHBondContact O-CB 3.48Å; L145-A148 PolarHBondContact O-N 2.8Å; L145-A149 WeakPolarHBondContact O-CB 3.2Å; L145-A149 PolarHBondContact O-N 2.75Å
146I94Very high92Very high4 Ų440.8 Ų40.82%0.02121%0.207CC..Hα-helixtrans-66.4-41.2174.8-67.7-63.4000111.6Q142 S143 H144 A148 A149 V150 A165 K166 V167 L176Q142-I146 WeakPolarHBondContact O-CG1 3.3Å; Q142-I146 PolarHBondContact O-N 3.02Å; S143-I146 PolarHBondContact O-N 2.82Å; H144-I146 VanDerWaalsContact C-N 3.31Å; H144-I146 PolarHBondContact O-N 3.45Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 2.92Å; I146-A149 PolarHBondContact O-N 3.05Å; I146-V150 HydrophobicContact CG2-CG2 4.27Å; I146-V150 WeakPolarHBondContact O-CB 3.25Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 3.29Å; I146-A165 HydrophobicContact CD1-CB 3.5Å; I146-A165 VanDerWaalsContact CD1-CB 3.5Å; I146-K166 WeakPolarHBondContact CD1-O 3.12Å; I146-V167 HydrophobicContact CD1-CG1 3.99Å; I146-V167 HydrophobicContact CG1-CG1 4.1Å; I146-L176 HydrophobicContact CG2-CD1 3.93Å; I146-L176 HydrophobicContact CG2-CD2 4.46Å
147L91.9Very high92.3Very high67 Ų6735.3 Ų35.335%0.35118%0.178SC..Hα-helixtrans-59.1-44.5174.1179.261.7000111S143 H144 V150 T151 W238S143-L147 PolarHBondContact O-N 3.11Å; H144-L147 WeakPolarHBondContact O-CB 3.28Å; H144-L147 PolarHBondContact O-N 2.82Å; L147-V150 PolarHBondContact O-N 3.01Å; L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 PolarHBondContact O-N 3.35Å; L147-T151 PolarHBondContact O-OG1 3.01Å; L147-W238 HydrophobicContact CD1-CZ3 4.47Å
148A93.4Very high92.4Very high10 Ų1034 Ų348%0.08317%0.17CC..Hα-helixtrans-60.3-46174.300000111.9I102 T103 H144 L145 I146 V150 T151 I152I102-A148 HydrophobicContact CD1-CB 4.04Å; I102-A148 HydrophobicContact CG1-CB 4.28Å; T103-A148 HydrophobicContact CG2-CB 3.75Å; H144-A148 PolarHBondContact O-N 3.23Å; L145-A148 WeakPolarHBondContact O-CB 3.48Å; L145-A148 PolarHBondContact O-N 2.8Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 2.92Å; A148-V150 PolarHBondContact O-N 3.2Å; A148-T151 WeakPolarHBondContact O-CB 3.32Å; A148-T151 PolarHBondContact O-N 2.75Å; A148-I152 PolarHBondContact O-N 2.79Å
149A95.5Very high92.5Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-60.7-45.5177.300000112.1L52 L145 I146 T151 I152 C153 F163L52-A149 HydrophobicContact CD1-CB 4.18Å; L145-A149 WeakPolarHBondContact O-CB 3.2Å; L145-A149 PolarHBondContact O-N 2.75Å; I146-A149 PolarHBondContact O-N 3.05Å; A149-T151 VanDerWaalsContact C-N 3.3Å; A149-T151 PolarHBondContact O-N 2.79Å; A149-I152 WeakPolarHBondContact O-CG2 3.3Å; A149-I152 PolarHBondContact O-N 2.82Å; A149-C153 WeakPolarHBondContact O-CB 3.4Å; A149-C153 PolarHBondContact O-N 3.07Å; A149-C153 PolarHBondContact O-SG 2.63Å; A149-F163 HydrophobicContact CB-CE2 4.16Å; A149-F163 HydrophobicContact CB-CZ 3.92Å
150V93.2Very high92.6Very high14 Ų1441 Ų419%0.08522%0.22CC..Hα-helixtrans-64.4-36.8176.1172.40000111.4I146 L147 A148 C153 S154 F163 L180 L183 W238I146-V150 HydrophobicContact CG2-CG2 4.27Å; I146-V150 WeakPolarHBondContact O-CB 3.25Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 3.29Å; L147-V150 PolarHBondContact O-N 3.01Å; A148-V150 PolarHBondContact O-N 3.2Å; V150-C153 WeakPolarHBondContact O-CB 3.44Å; V150-C153 PolarHBondContact O-N 3.39Å; V150-S154 PolarHBondContact O-N 3.31Å; V150-F163 HydrophobicContact CG2-CE1 3.81Å; V150-F163 HydrophobicContact CG2-CZ 4.09Å; V150-L180 HydrophobicContact CG2-CD2 3.81Å; V150-L183 HydrophobicContact CG1-CD1 3.45Å; V150-L183 VanDerWaalsContact CG1-CD1 3.45Å; V150-W238 HydrophobicContact CG1-CH2 4.42Å
151T91.3Very high92.8Very high11 Ų1133.7 Ų33.77%0.06719%0.192CC..Hα-helixtrans-65.9-38.6178.2-61.70000112.8L147 A148 A149 S154 R155 L235 W238L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 PolarHBondContact O-N 3.35Å; L147-T151 PolarHBondContact O-OG1 3.01Å; A148-T151 WeakPolarHBondContact O-CB 3.32Å; A148-T151 PolarHBondContact O-N 2.75Å; A149-T151 VanDerWaalsContact C-N 3.3Å; A149-T151 PolarHBondContact O-N 2.79Å; T151-S154 PolarHBondContact O-OG 3.31Å; T151-R155 PolarHBondContact O-NH1 2.7Å; T151-L235 HydrophobicContact CG2-CD1 4.06Å; T151-L235 HydrophobicContact CG2-CD2 4.21Å; T151-L235 HydrophobicContact CG2-CG 4.1Å; T151-W238 WeakPolarHBondContact OG1-CZ3 3.43Å
152I92.9Very high93Very high2 Ų232 Ų321%0.0118%0.182CC..Hα-helixtrans-75.9-38.3172.6-169161.4000110.8L52 I102 T107 A108 I111 A148 A149 S154 R155 V156L52-I152 HydrophobicContact CD1-CG2 3.59Å; L52-I152 HydrophobicContact CD2-CG2 4.24Å; I102-I152 HydrophobicContact CB-CD1 4.37Å; I102-I152 WeakPolarHBondContact O-CD1 3.39Å; T107-I152 HydrophobicContact CG2-CD1 4.31Å; A108-I152 HydrophobicContact CB-CD1 4.17Å; A108-I152 HydrophobicContact CB-CG1 4.09Å; I111-I152 HydrophobicContact CD1-CD1 3.71Å; I111-I152 HydrophobicContact CD1-CG1 4.43Å; A148-I152 PolarHBondContact O-N 2.79Å; A149-I152 WeakPolarHBondContact O-CG2 3.3Å; A149-I152 PolarHBondContact O-N 2.82Å; I152-S154 PolarHBondContact O-N 3.46Å; I152-R155 WeakPolarHBondContact O-CA 3.31Å; I152-R155 WeakPolarHBondContact O-CB 3.13Å; I152-R155 PolarHBondContact O-N 2.93Å; I152-V156 HydrophobicContact CG1-CG1 3.97Å; I152-V156 HydrophobicContact CG1-CG2 4.39Å; I152-V156 WeakPolarHBondContact O-CG2 3.44Å; I152-V156 PolarHBondContact O-N 3.1Å
153C92.7Very high93.2Very high2 Ų231.9 Ų31.91%0.01418%0.181CC..Hα-helixtrans-53.8-40.6173.4-75.60000112V123 A149 V150 R155 V156 L157 F163V123-C153 WeakPolarHBondContact CG1-SG 3.27Å; A149-C153 WeakPolarHBondContact O-CB 3.4Å; A149-C153 PolarHBondContact O-N 3.07Å; A149-C153 PolarHBondContact O-SG 2.63Å; V150-C153 WeakPolarHBondContact O-CB 3.44Å; V150-C153 PolarHBondContact O-N 3.39Å; C153-R155 PolarHBondContact O-N 3.46Å; C153-V156 PolarHBondContact O-N 3.28Å; C153-L157 HydrophobicContact CB-CB 4.39Å; C153-L157 WeakPolarHBondContact O-CB 3.39Å; C153-L157 PolarHBondContact O-N 3.12Å; C153-F163 WeakPolarHBondContact SG-CD2 3.35Å; C153-F163 WeakPolarHBondContact SG-CE2 3.43Å
154S89.8Confident93.5Very high26 Ų2629.2 Ų29.218%0.18216%0.162CC..Hα-helixtrans-64.5-14.8178.872.80000114.7V150 T151 I152V150-S154 PolarHBondContact O-N 3.31Å; T151-S154 PolarHBondContact O-OG 3.31Å; I152-S154 PolarHBondContact O-N 3.46Å
155R90.2Very high93.8Very high68 Ų6823.9 Ų23.926%0.25714%0.137SC..Hα-helixtrans-101.3-32.4175.8-60.8-174.9176.794.9-10.8112.9L119 T151 I152 C153L119-R155 VanDerWaalsContact CD2-O 3.32Å; L119-R155 WeakPolarHBondContact CD2-O 3.45Å; T151-R155 PolarHBondContact O-NH1 2.7Å; I152-R155 WeakPolarHBondContact O-CA 3.31Å; I152-R155 WeakPolarHBondContact O-CB 3.13Å; I152-R155 PolarHBondContact O-N 2.93Å; C153-R155 PolarHBondContact O-N 3.46Å
156V94Very high94Very high1 Ų123.1 Ų23.11%0.00613%0.133CC..Hα-helixtrans-108.8-18-170.3-51.50000114.3A108 I111 I112 L119 A120 V123 I152 C153A108-V156 HydrophobicContact CB-CG1 4.21Å; I111-V156 HydrophobicContact CB-CG1 4.36Å; I111-V156 HydrophobicContact CD1-CG1 4.31Å; I111-V156 HydrophobicContact CG2-CB 4.29Å; I111-V156 HydrophobicContact CG2-CG1 4.16Å; I112-V156 HydrophobicContact CD1-CG1 4.48Å; I112-V156 HydrophobicContact CG1-CG1 4.27Å; L119-V156 CarbonylContact C-O 3.53Å; A120-V156 WeakPolarHBondContact CB-O 3.45Å; A120-V156 PolarHBondContact N-O 2.93Å; V123-V156 HydrophobicContact CG2-CG2 4.03Å; I152-V156 HydrophobicContact CG1-CG1 3.97Å; I152-V156 HydrophobicContact CG1-CG2 4.39Å; I152-V156 WeakPolarHBondContact O-CG2 3.44Å; I152-V156 PolarHBondContact O-N 3.1Å; C153-V156 PolarHBondContact O-N 3.28Å
157L94.9Very high94Very high4 Ų423 Ų232%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-91.4134.4-177-170.267.2000110.8A120 V123 C153 F163 F184 F210A120-L157 WeakPolarHBondContact O-CD1 3.43Å; V123-L157 HydrophobicContact CB-CD1 4.43Å; V123-L157 HydrophobicContact CG2-CB 4.3Å; V123-L157 HydrophobicContact CG2-CD1 3.79Å; C153-L157 HydrophobicContact CB-CB 4.39Å; C153-L157 WeakPolarHBondContact O-CB 3.39Å; C153-L157 PolarHBondContact O-N 3.12Å; L157-F163 HydrophobicContact CD2-CB 4.22Å; L157-F184 HydrophobicContact CD2-CE1 4.08Å; L157-F184 HydrophobicContact CD2-CZ 4.19Å; L157-F210 HydrophobicContact CB-CD1 4Å; L157-F210 HydrophobicContact CB-CE1 4.22Å; L157-F210 HydrophobicContact CB-CG 4.45Å; L157-F210 HydrophobicContact CD2-CB 3.61Å; L157-F210 HydrophobicContact CD2-CD1 3.98Å; L157-F210 HydrophobicContact CD2-CD2 3.97Å; L157-F210 HydrophobicContact CD2-CG 3.58Å; L157-F210 HydrophobicContact CG-CB 4.09Å; L157-F210 HydrophobicContact CG-CD1 3.95Å; L157-F210 HydrophobicContact CG-CG 4.04Å; L157-F210 WeakPolarHBondContact O-CE1 3.42Å
158E93.9Very high94.1Very high50 Ų5021.1 Ų21.123%0.23412%0.121CC..EExtended strand (participates in β ladder)trans-77158.317878.8-176-160.300112.3R48 L119 A120 Q121 G160 G161 F210R48-E158 IonicContact CZ-OE2 2.72Å; R48-E158 IonicContact NH2-OE2 2.83Å; R48-E158 PolarHBondContact NH2-OE2 2.79Å; L119-E158 HydrophobicContact CB-CB 3.69Å; L119-E158 HydrophobicContact CD1-CB 4.48Å; A120-E158 WeakPolarHBondContact O-CB 3.45Å; A120-E158 WeakPolarHBondContact O-CG 3.41Å; A120-E158 PolarHBondContact O-N 2.9Å; Q121-E158 VanDerWaalsContact CG-CD 3.46Å; Q121-E158 HydrophobicContact CG-CG 4.44Å; Q121-E158 WeakPolarHBondContact CG-OE1 2.96Å; E158-G160 PolarHBondContact O-N 2.75Å; E158-G161 WeakPolarHBondContact O-CA 3.37Å; E158-G161 PolarHBondContact O-N 2.82Å; E158-F210 WeakPolarHBondContact O-CD1 3.32Å
159L91.8Very high93.9Very high132 Ų13225.3 Ų25.369%0.69114%0.135SC*.EExtended strand (participates in β ladder)trans-61.8132.3173.2-62.8177.3000110.4G161 F210 M211L159-G161 VanDerWaalsContact C-N 3.27Å; L159-F210 CarbonylContact C-O 3.52Å; L159-F210 VanDerWaalsContact CA-O 3.32Å; L159-F210 WeakPolarHBondContact CA-O 3.27Å; L159-M211 VanDerWaalsContact CD2-O 3.29Å; L159-M211 WeakPolarHBondContact CD2-O 3.41Å
160G92Very high93.4Very high50 Ų5026.2 Ų26.252%0.51514%0.144SC..EExtended strand (participates in β ladder)trans86.5-9.2-171.300000114.2E158 F210E158-G160 PolarHBondContact O-N 2.75Å; G160-F210 PolarHBondContact N-O 2.87Å
161G94.9Very high92.9Very high3 Ų336.1 Ų36.13%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-63.4164.7-177.400000114.4Q121 E158 L159 G209 F210Q121-G161 VanDerWaalsContact O-CA 3.3Å; Q121-G161 WeakPolarHBondContact O-CA 3.26Å; E158-G161 WeakPolarHBondContact O-CA 3.37Å; E158-G161 PolarHBondContact O-N 2.82Å; L159-G161 VanDerWaalsContact C-N 3.27Å; G161-G209 PolarHBondContact O-N 3.12Å; G161-F210 PolarHBondContact O-N 3.43Å
162T97Very high92.3Very high22 Ų2241.2 Ų41.214%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-109.1140.1179.6-61.10000110.9I38 Q121 L122 V123 V164 C207 R208I38-T162 HydrophobicContact CG2-CG2 4.49Å; Q121-T162 PolarHBondContact O-N 3.06Å; L122-T162 WeakPolarHBondContact CA-O 3.44Å; L122-T162 HydrophobicContact CD1-CG2 3.75Å; V123-T162 PolarHBondContact N-O 2.83Å; T162-V164 HydrophobicContact CG2-CG2 4.24Å; T162-C207 CarbonylContact C-O 3.56Å; T162-C207 VanDerWaalsContact CA-O 3.32Å; T162-C207 WeakPolarHBondContact CA-O 3.36Å; T162-C207 WeakPolarHBondContact CG2-O 3.49Å; T162-R208 HydrophobicContact CG2-CG 4.23Å
163F97.6Very high91.8Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-123.9131.3174.2173.3-118.9000110V123 A149 V150 C153 L157 A165 F184 C207V123-F163 HydrophobicContact CB-CD2 4.09Å; V123-F163 HydrophobicContact CG1-CD2 4.05Å; V123-F163 HydrophobicContact CG1-CE2 4.27Å; V123-F163 CarbonylContact O-C 3.54Å; V123-F163 WeakPolarHBondContact O-CA 3.23Å; A149-F163 HydrophobicContact CB-CE2 4.16Å; A149-F163 HydrophobicContact CB-CZ 3.92Å; V150-F163 HydrophobicContact CG2-CE1 3.81Å; V150-F163 HydrophobicContact CG2-CZ 4.09Å; C153-F163 WeakPolarHBondContact SG-CD2 3.35Å; C153-F163 WeakPolarHBondContact SG-CE2 3.43Å; L157-F163 HydrophobicContact CD2-CB 4.22Å; F163-A165 HydrophobicContact CE1-CB 3.75Å; F163-A165 HydrophobicContact CE2-CB 3.88Å; F163-A165 HydrophobicContact CZ-CB 3.34Å; F163-F184 HydrophobicContact CB-CE1 3.88Å; F163-F184 HydrophobicContact CB-CE2 4.46Å; F163-F184 HydrophobicContact CB-CZ 3.48Å; F163-F184 VanDerWaalsContact CB-CZ 3.48Å; F163-F184 HydrophobicContact CD1-CE2 4.45Å; F163-F184 HydrophobicContact CD1-CZ 4.21Å; F163-F184 HydrophobicContact CG-CZ 4.2Å; F163-C207 HydrophobicContact CB-CB 4.23Å; F163-C207 HydrophobicContact CD1-CB 4.45Å; F163-C207 PolarHBondContact N-O 2.89Å; F163-C207 PolarHBondContact O-N 2.74Å
164V98.3Very high91.4Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-127.3125.4175.4-178.10000108.6I32 I38 W59 L122 V123 V124 C125 T162 V205 I206I32-V164 HydrophobicContact CD1-CG1 4.23Å; I32-V164 HydrophobicContact CG2-CG1 4.36Å; I38-V164 HydrophobicContact CD1-CG2 4.16Å; I38-V164 HydrophobicContact CG2-CG2 4.28Å; W59-V164 HydrophobicContact CH2-CG1 4.39Å; L122-V164 HydrophobicContact CD1-CG2 4.37Å; V123-V164 PolarHBondContact O-N 2.94Å; V124-V164 CarbonylContact C-O 3.55Å; V124-V164 VanDerWaalsContact CA-O 3.25Å; V124-V164 WeakPolarHBondContact CA-O 3.29Å; V124-V164 HydrophobicContact CG1-CB 4.23Å; C125-V164 PolarHBondContact N-O 2.96Å; T162-V164 HydrophobicContact CG2-CG2 4.24Å; V164-V205 VanDerWaalsContact CA-O 3.3Å; V164-V205 WeakPolarHBondContact CA-O 3.35Å; V164-I206 HydrophobicContact CG1-CG1 4.44Å; V164-I206 HydrophobicContact CG2-CG1 4.33Å; V164-I206 HydrophobicContact CG2-CG2 4.43Å
165A97.7Very high91.2Very high0 Ų047.5 Ų47.50%025%0.249CC..EExtended strand (participates in β ladder)trans-144147.4178.500000113.4C125 I146 F163 F204 V205C125-A165 HydrophobicContact CB-CB 4Å; C125-A165 CarbonylContact O-C 3.56Å; C125-A165 VanDerWaalsContact O-CA 3.3Å; C125-A165 WeakPolarHBondContact O-CA 3.16Å; I146-A165 HydrophobicContact CD1-CB 3.5Å; I146-A165 VanDerWaalsContact CD1-CB 3.5Å; F163-A165 HydrophobicContact CE1-CB 3.75Å; F163-A165 HydrophobicContact CE2-CB 3.88Å; F163-A165 HydrophobicContact CZ-CB 3.34Å; A165-F204 CarbonylContact O-C 3.39Å; A165-F204 VanDerWaalsContact O-CA 3.24Å; A165-F204 WeakPolarHBondContact O-CA 3.26Å; A165-V205 HydrophobicContact CB-CG1 4.32Å; A165-V205 PolarHBondContact N-O 3.05Å; A165-V205 PolarHBondContact O-N 3.02Å
166K96.9Very high91Very high20 Ų2045.7 Ų45.79%0.08724%0.244CC..EExtended strand (participates in β ladder)trans-69.3133.4172.7178.4170.2163.1174.10110.9C125 D126 A128 Q142 I146 E202 F204C125-K166 PolarHBondContact O-N 2.68Å; D126-K166 WeakPolarHBondContact OD1-CD 3.13Å; A128-K166 HydrophobicContact CB-CD 4.21Å; A128-K166 VanDerWaalsContact CB-NZ 3.29Å; Q142-K166 PolarHBondContact NE2-O 2.83Å; I146-K166 WeakPolarHBondContact CD1-O 3.12Å; K166-E202 HydrophobicContact CD-CG 4.17Å; K166-E202 WeakPolarHBondContact CE-OE2 3.49Å; K166-E202 HydrophobicContact CG-CG 4.24Å; K166-E202 IonicContact NZ-OE2 3.75Å; K166-E202 PolarHBondContact NZ-OE2 3.04Å; K166-F204 HydrophobicContact CB-CD1 4.04Å; K166-F204 HydrophobicContact CB-CE1 3.63Å; K166-F204 HydrophobicContact CB-CZ 4.15Å; K166-F204 HydrophobicContact CD-CZ 4.39Å; K166-F204 HydrophobicContact CG-CE1 4.26Å; K166-F204 HydrophobicContact CG-CZ 4.29Å
167V95Very high90.8Very high2 Ų245.6 Ų45.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-131.9153.9177.6-590000109.9I146 L176 F190 S203 V205I146-V167 HydrophobicContact CD1-CG1 3.99Å; I146-V167 HydrophobicContact CG1-CG1 4.1Å; V167-L176 HydrophobicContact CB-CD2 4.34Å; V167-L176 HydrophobicContact CG1-CD2 3.8Å; V167-F190 HydrophobicContact CG2-CD1 3.95Å; V167-F190 HydrophobicContact CG2-CE1 3.96Å; V167-S203 PolarHBondContact N-O 3.41Å; V167-S203 PolarHBondContact O-N 2.76Å; V167-V205 HydrophobicContact CG1-CB 4.19Å; V167-V205 HydrophobicContact CG1-CG1 3.93Å
168F92.9Very high90.4Very high26 Ų2646.9 Ų46.911%0.11425%0.253CS..EExtended strand (participates in β ladder)trans-97.7112.7165-69.5-11.9000108D138 Q142 G170 L201 E202D138-F168 HydrophobicContact CB-CD2 4.23Å; D138-F168 HydrophobicContact CB-CE2 4.07Å; D138-F168 WeakPolarHBondContact O-CD2 3.35Å; Q142-F168 HydrophobicContact CB-CB 4.37Å; Q142-F168 HydrophobicContact CB-CD2 3.73Å; Q142-F168 HydrophobicContact CB-CE2 4.15Å; Q142-F168 HydrophobicContact CB-CG 4.04Å; Q142-F168 HydrophobicContact CG-CB 4.29Å; Q142-F168 HydrophobicContact CG-CD1 4.25Å; Q142-F168 HydrophobicContact CG-CD2 4.12Å; Q142-F168 HydrophobicContact CG-CG 3.96Å; F168-G170 PolarHBondContact O-N 3.48Å; F168-G170 VanDerWaalsContact O-N 3.1Å; F168-L201 HydrophobicContact CB-CB 4.22Å; F168-E202 HydrophobicContact CE1-CB 4.49Å
169R89.2Confident90Very high99 Ų9949.6 Ų49.637%0.37427%0.265SS..  trans-85.682.3-175-158.8-173.580.373.9-3.6109.8S173 L201R169-S173 VanDerWaalsContact CG-CB 3.45Å; R169-S173 WeakPolarHBondContact CG-OG 3.49Å; R169-L201 PolarHBondContact N-O 2.69Å
170G85.2Confident89.9Confident18 Ų1843.5 Ų43.519%0.18623%0.233CC..  trans-93.6-143.9172.600000112.8E139 F168E139-G170 WeakPolarHBondContact OE1-CA 3.35Å; E139-G170 PolarHBondContact OE1-N 3.19Å; E139-G170 WeakPolarHBondContact OE2-CA 3.03Å; F168-G170 PolarHBondContact O-N 3.48Å; F168-G170 VanDerWaalsContact O-N 3.1Å
171R82.1Confident89.8Confident223 Ų22343.3 Ų43.384%0.84222%0.217SC*.THydrogen-bonded Turntrans-72.4-36-172.5-66.2179.9-176.4154.84.8112.4
172D78.5Confident89.4Confident117 Ų11744.8 Ų44.863%0.62623%0.227SC*.THydrogen-bonded Turntrans-100.815.6-171.3-65.1-31.9000113.5G174 L175D172-G174 PolarHBondContact O-N 3.45Å; D172-L175 WeakPolarHBondContact O-CB 3.12Å; D172-L175 PolarHBondContact O-N 2.59Å
173S83.5Confident89Confident15 Ų1544.7 Ų44.711%0.10523%0.225CC..Hα-helixtrans-58-26.9179.467.50000113.4R169 L176 G177 F190R169-S173 VanDerWaalsContact CG-CB 3.45Å; R169-S173 WeakPolarHBondContact CG-OG 3.49Å; S173-L176 PolarHBondContact O-N 2.68Å; S173-G177 PolarHBondContact O-N 3.43Å; S173-F190 VanDerWaalsContact O-CZ 3.25Å; S173-F190 WeakPolarHBondContact O-CZ 3.24Å
174G83.7Confident88.7Confident43 Ų4345 Ų4544%0.44323%0.227SC..Hα-helixtrans-62.7-39.5175.300000112.9D172 G177 S178D172-G174 PolarHBondContact O-N 3.45Å; G174-G177 PolarHBondContact O-N 2.83Å; G174-S178 PolarHBondContact O-N 2.79Å; G174-S178 PolarHBondContact O-OG 3.22Å
175L85.3Confident88.4Confident105 Ų10548.9 Ų48.955%0.5525%0.254SS..Hα-helixtrans-64.5-46.4177.9175.960.8000111.1D172 G177 S178 Q179D172-L175 WeakPolarHBondContact O-CB 3.12Å; D172-L175 PolarHBondContact O-N 2.59Å; L175-G177 VanDerWaalsContact C-N 3.26Å; L175-G177 PolarHBondContact O-N 2.82Å; L175-S178 PolarHBondContact O-N 3.3Å; L175-Q179 HydrophobicContact CD1-CG 4.35Å; L175-Q179 WeakPolarHBondContact O-CG 3.25Å; L175-Q179 PolarHBondContact O-N 3.04Å
176L87Confident88Confident29 Ų2950.4 Ų50.415%0.15227%0.269CS..Hα-helixtrans-56.7-44.1174.8176.362.4000111I146 V167 S173 Q179 L180I146-L176 HydrophobicContact CG2-CD1 3.93Å; I146-L176 HydrophobicContact CG2-CD2 4.46Å; V167-L176 HydrophobicContact CB-CD2 4.34Å; V167-L176 HydrophobicContact CG1-CD2 3.8Å; S173-L176 PolarHBondContact O-N 2.68Å; L176-Q179 PolarHBondContact O-N 3.01Å; L176-L180 HydrophobicContact CD1-CD1 4.13Å; L176-L180 HydrophobicContact CD1-CG 4.32Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.37Å
177G89Confident87.8Confident0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-57.5-48.2175.100000113.4S173 G174 L175 L180 R181S173-G177 PolarHBondContact O-N 3.43Å; G174-G177 PolarHBondContact O-N 2.83Å; L175-G177 VanDerWaalsContact C-N 3.26Å; L175-G177 PolarHBondContact O-N 2.82Å; G177-L180 PolarHBondContact O-N 2.99Å; G177-R181 WeakPolarHBondContact O-CG 3.43Å; G177-R181 PolarHBondContact O-N 3.26Å; G177-R181 VanDerWaalsContact O-N 3.08Å
178S86.1Confident87.8Confident30 Ų3053.8 Ų53.821%0.2129%0.286CS..Hα-helixtrans-62.5-41.3176.5-690000112.6G174 L175 R181 C182G174-S178 PolarHBondContact O-N 2.79Å; G174-S178 PolarHBondContact O-OG 3.22Å; L175-S178 PolarHBondContact O-N 3.3Å; S178-R181 PolarHBondContact O-N 2.87Å; S178-C182 PolarHBondContact O-N 2.91Å
179Q86.1Confident87.9Confident107 Ų10752.5 Ų52.550%0.528%0.28SS..Hα-helixtrans-61.6-44.7176.4-72170.6-2900111.7L175 L176 R181 C182L175-Q179 HydrophobicContact CD1-CG 4.35Å; L175-Q179 WeakPolarHBondContact O-CG 3.25Å; L175-Q179 PolarHBondContact O-N 3.04Å; L176-Q179 PolarHBondContact O-N 3.01Å; Q179-R181 VanDerWaalsContact C-N 3.28Å; Q179-R181 PolarHBondContact O-N 3.18Å; Q179-C182 WeakPolarHBondContact O-CB 3.41Å; Q179-C182 PolarHBondContact O-N 3.11Å; Q179-C182 VanDerWaalsContact O-N 3.07Å
180L90.5Very high88.2Confident4 Ų448.1 Ų48.12%0.02126%0.264CS..Hα-helixtrans-63.1-36176.8-69.6167.9000111.3V150 L176 G177 C182 L183 F184 V188 V205V150-L180 HydrophobicContact CG2-CD2 3.81Å; L176-L180 HydrophobicContact CD1-CD1 4.13Å; L176-L180 HydrophobicContact CD1-CG 4.32Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.37Å; G177-L180 PolarHBondContact O-N 2.99Å; L180-C182 PolarHBondContact O-N 2.91Å; L180-L183 WeakPolarHBondContact O-CA 3.48Å; L180-L183 PolarHBondContact O-N 3.4Å; L180-F184 HydrophobicContact CD2-CE2 4.31Å; L180-F184 VanDerWaalsContact O-CD2 3.3Å; L180-F184 WeakPolarHBondContact O-CD2 3.11Å; L180-F184 PolarHBondContact O-N 3.5Å; L180-V188 HydrophobicContact CB-CG1 4.15Å; L180-V205 HydrophobicContact CD1-CB 4.28Å; L180-V205 HydrophobicContact CD1-CG1 3.9Å; L180-V205 HydrophobicContact CD1-CG2 3.64Å
181R89.2Confident88.8Confident46 Ų4647.3 Ų47.317%0.17426%0.255CS..Hα-helixtrans-68.6-12.7174.8-72.4-170.364.7-135.4-0.9115.3G177 S178 Q179 L183 V188 S250 Q251 L255G177-R181 WeakPolarHBondContact O-CG 3.43Å; G177-R181 PolarHBondContact O-N 3.26Å; G177-R181 VanDerWaalsContact O-N 3.08Å; S178-R181 PolarHBondContact O-N 2.87Å; Q179-R181 VanDerWaalsContact C-N 3.28Å; Q179-R181 PolarHBondContact O-N 3.18Å; R181-L183 VanDerWaalsContact C-N 3.32Å; R181-V188 HydrophobicContact CG-CB 3.62Å; R181-V188 HydrophobicContact CG-CG1 4.17Å; R181-V188 HydrophobicContact CG-CG2 3.56Å; R181-S250 PolarHBondContact NH1-O 2.82Å; R181-S250 PolarHBondContact NH2-O 2.92Å; R181-Q251 PolarHBondContact NH1-O 2.96Å; R181-L255 VanDerWaalsContact CD-CD2 3.44Å; R181-L255 HydrophobicContact CG-CD2 4.4Å
182C85.8Confident89.4Confident34 Ų3437.9 Ų37.923%0.2322%0.22CC..Hα-helixtrans-75-25.4166.9-62.80000112.2S178 Q179 L180S178-C182 PolarHBondContact O-N 2.91Å; Q179-C182 WeakPolarHBondContact O-CB 3.41Å; Q179-C182 PolarHBondContact O-N 3.11Å; Q179-C182 VanDerWaalsContact O-N 3.07Å; L180-C182 PolarHBondContact O-N 2.91Å
183L89.1Confident90.3Very high21 Ų2132.3 Ų32.311%0.1119%0.191CC..Hα-helixtrans-100.3-16.3-176.2-59.1177.1000113.8V150 L180 R181 F210 M211 P213V150-L183 HydrophobicContact CG1-CD1 3.45Å; V150-L183 VanDerWaalsContact CG1-CD1 3.45Å; L180-L183 WeakPolarHBondContact O-CA 3.48Å; L180-L183 PolarHBondContact O-N 3.4Å; R181-L183 VanDerWaalsContact C-N 3.32Å; L183-F210 HydrophobicContact CB-CE2 4.47Å; L183-M211 PolarHBondContact O-N 3.1Å; L183-P213 HydrophobicContact CD2-CB 4.46Å
184F92.3Very high90.7Very high6 Ų634.4 Ų34.43%0.02620%0.196CC..BIsolated β-bridgetrans-126.7129.3-175.3-69.3-92.1000110.7L157 F163 L180 V188 C207 G209 F210L157-F184 HydrophobicContact CD2-CE1 4.08Å; L157-F184 HydrophobicContact CD2-CZ 4.19Å; F163-F184 HydrophobicContact CB-CE1 3.88Å; F163-F184 HydrophobicContact CB-CE2 4.46Å; F163-F184 HydrophobicContact CB-CZ 3.48Å; F163-F184 VanDerWaalsContact CB-CZ 3.48Å; F163-F184 HydrophobicContact CD1-CE2 4.45Å; F163-F184 HydrophobicContact CD1-CZ 4.21Å; F163-F184 HydrophobicContact CG-CZ 4.2Å; L180-F184 HydrophobicContact CD2-CE2 4.31Å; L180-F184 VanDerWaalsContact O-CD2 3.3Å; L180-F184 WeakPolarHBondContact O-CD2 3.11Å; L180-F184 PolarHBondContact O-N 3.5Å; F184-V188 HydrophobicContact CB-CG2 3.94Å; F184-C207 HydrophobicContact CB-CB 4.38Å; F184-C207 HydrophobicContact CD1-CB 3.55Å; F184-C207 HydrophobicContact CD2-CB 3.61Å; F184-C207 HydrophobicContact CE1-CB 3.58Å; F184-C207 HydrophobicContact CE2-CB 3.67Å; F184-C207 HydrophobicContact CG-CB 3.59Å; F184-C207 HydrophobicContact CZ-CB 3.67Å; F184-G209 CarbonylContact C-O 3.57Å; F184-G209 WeakPolarHBondContact CA-O 3.45Å; F184-F210 VanDerWaalsContact CD1-CA 3.47Å; F184-F210 HydrophobicContact CD1-CB 3.94Å; F184-F210 HydrophobicContact CD1-CD2 4.2Å; F184-F210 HydrophobicContact CE1-CB 3.63Å; F184-F210 AromaticContact CE1-CD2 3.7Å; F184-F210 HydrophobicContact CE1-CD2 3.7Å; F184-F210 HydrophobicContact CE1-CG 4.12Å; F184-F210 HydrophobicContact CE2-CD2 4.08Å; F184-F210 HydrophobicContact CZ-CB 4.38Å; F184-F210 AromaticContact CZ-CD2 3.61Å; F184-F210 HydrophobicContact CZ-CD2 3.61Å; F184-F210 HydrophobicContact CZ-CE2 4.39Å; F184-F210 HydrophobicContact CZ-CG 4.4Å
185S90.6Very high91.2Very high82 Ų8232.4 Ų32.457%0.57318%0.175SC*.SBendtrans-80.7-27.5177.753.30000113.3G209 M211S185-G209 PolarHBondContact N-O 3.25Å; S185-G209 PolarHBondContact OG-O 3.09Å; S185-M211 WeakPolarHBondContact CB-SD 3.46Å
186G90.8Very high91.5Very high31 Ų3127.4 Ų27.432%0.3215%0.149SC..SBendtrans-88.3-157.2-17400000113V188 R208G186-V188 PolarHBondContact O-N 3.21Å; G186-R208 WeakPolarHBondContact CA-O 3.43Å; G186-R208 PolarHBondContact N-O 3.45Å
187E92.5Very high91.7Very high86 Ų8631 Ų3140%0.40216%0.161SC..  trans-63.1131.2177.3-174.8178.9-158.700111.1R208E187-R208 PolarHBondContact O-N 3.28Å; E187-R208 IonicContact OE2-NH1 3.72Å
188V94.4Very high91.7Very high7 Ų736.1 Ų36.14%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-123.9115.5165.8-177.60000107.9L180 R181 F184 G186 V205 I206 C207 L255L180-V188 HydrophobicContact CB-CG1 4.15Å; R181-V188 HydrophobicContact CG-CB 3.62Å; R181-V188 HydrophobicContact CG-CG1 4.17Å; R181-V188 HydrophobicContact CG-CG2 3.56Å; F184-V188 HydrophobicContact CB-CG2 3.94Å; G186-V188 PolarHBondContact O-N 3.21Å; V188-V205 HydrophobicContact CG1-CG2 4Å; V188-I206 VanDerWaalsContact CA-O 3.28Å; V188-I206 WeakPolarHBondContact CA-O 3.45Å; V188-C207 HydrophobicContact CG2-CB 4.28Å; V188-L255 HydrophobicContact CB-CD1 4.38Å; V188-L255 HydrophobicContact CG1-CD1 3.73Å
189S95.3Very high91.7Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-134.8152.6-175.8620000110.8Y36 V205 I206Y36-S189 VanDerWaalsContact CE1-OG 3.24Å; Y36-S189 WeakPolarHBondContact CE1-OG 3.45Å; Y36-S189 VanDerWaalsContact CZ-OG 3.28Å; Y36-S189 WeakPolarHBondContact OH-CB 3.4Å; Y36-S189 PolarHBondContact OH-OG 2.71Å; S189-V205 WeakPolarHBondContact O-CA 3.34Å; S189-I206 PolarHBondContact N-O 3.24Å; S189-I206 PolarHBondContact O-N 3.02Å
190F96.1Very high91.8Very high7 Ų736.5 Ų36.53%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-94.5141.6165.9-67.8-73.1000109.4V167 S173 F204 V205 L255 P256 F257 I258V167-F190 HydrophobicContact CG2-CD1 3.95Å; V167-F190 HydrophobicContact CG2-CE1 3.96Å; S173-F190 VanDerWaalsContact O-CZ 3.25Å; S173-F190 WeakPolarHBondContact O-CZ 3.24Å; F190-F204 CarbonylContact C-O 3.58Å; F190-F204 VanDerWaalsContact CA-O 3.28Å; F190-F204 WeakPolarHBondContact CA-O 3.3Å; F190-V205 HydrophobicContact CD1-CB 4.08Å; F190-V205 HydrophobicContact CD1-CG2 4.19Å; F190-V205 HydrophobicContact CE1-CB 4.02Å; F190-V205 HydrophobicContact CE1-CG2 4.01Å; F190-L255 HydrophobicContact CD2-CB 3.93Å; F190-L255 HydrophobicContact CD2-CD1 4.15Å; F190-L255 HydrophobicContact CE2-CB 4.05Å; F190-L255 HydrophobicContact CE2-CD1 3.67Å; F190-L255 HydrophobicContact CE2-CG 4.3Å; F190-L255 HydrophobicContact CZ-CD1 4.32Å; F190-P256 PolarHBondContact N-O 2.95Å; F190-F257 HydrophobicContact CB-CD2 3.71Å; F190-F257 HydrophobicContact CB-CE2 4.45Å; F190-F257 CarbonylContact O-C 3.51Å; F190-F257 VanDerWaalsContact O-CA 3.31Å; F190-F257 WeakPolarHBondContact O-CA 3.26Å; F190-I258 PolarHBondContact O-N 3.33Å
191A96.5Very high91.8Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-129.5144.2177.700000111.1Y36 S203 F204 I206 I258Y36-A191 HydrophobicContact CE2-CB 3.89Å; A191-S203 CarbonylContact O-C 3.54Å; A191-S203 WeakPolarHBondContact O-CA 3.43Å; A191-F204 PolarHBondContact N-O 3.33Å; A191-F204 PolarHBondContact O-N 2.78Å; A191-I206 HydrophobicContact CB-CD1 3.29Å; A191-I258 CarbonylContact C-O 3.49Å; A191-I258 WeakPolarHBondContact CA-O 3.43Å
192K95.9Very high92Very high25 Ų2537.9 Ų37.911%0.10921%0.212CC..EExtended strand (participates in β ladder)trans-121.3102.4170.5-170.2174.5-178.381.70109.2R197 S200 E202 F257 I258 C260K192-R197 VanDerWaalsContact CE-O 3.25Å; K192-R197 WeakPolarHBondContact CE-O 3.43Å; K192-R197 PolarHBondContact NZ-O 3.48Å; K192-S200 PolarHBondContact NZ-O 2.99Å; K192-E202 PolarHBondContact NZ-O 3.41Å; K192-F257 HydrophobicContact CB-CE1 4.45Å; K192-F257 HydrophobicContact CB-CE2 3.9Å; K192-F257 HydrophobicContact CB-CZ 3.58Å; K192-F257 HydrophobicContact CD-CZ 3.92Å; K192-F257 HydrophobicContact CG-CZ 4.35Å; K192-I258 PolarHBondContact N-O 3.45Å; K192-C260 PolarHBondContact O-N 2.89Å
193P96Very high92.5Very high1 Ų136.4 Ų36.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-61.8139.7172.9-21.132.2000110.5K28 Q31 I32 A195 S196 F204K28-P193 HydrophobicContact CB-CB 4.07Å; K28-P193 HydrophobicContact CB-CG 4.04Å; K28-P193 HydrophobicContact CG-CB 4.3Å; Q31-P193 HydrophobicContact CB-CB 4.21Å; Q31-P193 VanDerWaalsContact OE1-CB 3.23Å; I32-P193 HydrophobicContact CD1-CG 3.91Å; I32-P193 HydrophobicContact CG1-CG 3.82Å; P193-A195 PolarHBondContact O-N 3.34Å; P193-S196 WeakPolarHBondContact O-CA 3.48Å; P193-S196 WeakPolarHBondContact O-CB 3.36Å; P193-S196 PolarHBondContact O-N 2.89Å; P193-S196 PolarHBondContact O-OG 2.93Å; P193-S196 VanDerWaalsContact O-OG 3.11Å; P193-F204 VanDerWaalsContact CD-CD2 3.46Å; P193-F204 HydrophobicContact CG-CD2 3.63Å; P193-F204 HydrophobicContact CG-CE2 3.82Å
194R92.5Very high92.9Very high59 Ų5935.4 Ų35.422%0.22320%0.197CC..THydrogen-bonded Turntrans-60.8-23.8173.5-165.9176.8-176.2114.2-9.6113.3Y12 S196 C260 D262 L263 G265 F266 P268Y12-R194 WeakPolarHBondContact CE2-O 3.33Å; R194-S196 PolarHBondContact O-N 3.22Å; R194-C260 WeakPolarHBondContact CB-O 3.38Å; R194-C260 PolarHBondContact N-O 3.32Å; R194-D262 WeakPolarHBondContact CD-O 3.06Å; R194-D262 VanDerWaalsContact CZ-O 3.27Å; R194-D262 PolarHBondContact NE-O 3.29Å; R194-D262 PolarHBondContact NH1-O 3.17Å; R194-D262 VanDerWaalsContact NH1-O 3.1Å; R194-L263 PolarHBondContact NH2-O 3.28Å; R194-G265 PolarHBondContact NE-O 3.23Å; R194-G265 PolarHBondContact NH2-O 3.05Å; R194-F266 WeakPolarHBondContact CD-O 3.47Å; R194-F266 PolarHBondContact NE-O 3.46Å; R194-P268 VanDerWaalsContact O-CD 3.28Å; R194-P268 WeakPolarHBondContact O-CD 3.39Å; R194-P268 WeakPolarHBondContact O-CG 3.35Å
195A93.4Very high93.1Very high0 Ų035.1 Ų35.10%020%0.196CC..THydrogen-bonded Turntrans-69.5-8.6169.500000113.2Y12 R24 K28 P193Y12-A195 HydrophobicContact CD1-CB 3.97Å; Y12-A195 HydrophobicContact CD2-CB 4.27Å; Y12-A195 HydrophobicContact CE1-CB 3.99Å; Y12-A195 HydrophobicContact CE2-CB 4.28Å; Y12-A195 HydrophobicContact CG-CB 4.1Å; R24-A195 PolarHBondContact NE-O 2.84Å; R24-A195 PolarHBondContact NH2-O 3.46Å; K28-A195 HydrophobicContact CG-CB 3.9Å; P193-A195 PolarHBondContact O-N 3.34Å
196S92.8Very high93.4Very high1 Ų131.2 Ų31.21%0.00717%0.169CC..SBendtrans-95.3135.6171.3-40.70000108.8P193 R194 E202 P268P193-S196 WeakPolarHBondContact O-CA 3.48Å; P193-S196 WeakPolarHBondContact O-CB 3.36Å; P193-S196 PolarHBondContact O-N 2.89Å; P193-S196 PolarHBondContact O-OG 2.93Å; P193-S196 VanDerWaalsContact O-OG 3.11Å; R194-S196 PolarHBondContact O-N 3.22Å; S196-E202 VanDerWaalsContact CB-OE1 3.26Å; S196-E202 WeakPolarHBondContact CB-OE1 3.32Å; S196-E202 PolarHBondContact OG-OE1 2.9Å; S196-P268 WeakPolarHBondContact O-CG 3.46Å
197R91Very high93.7Very high105 Ų10529.7 Ų29.740%0.39615%0.153SC..  trans-62.9143.8179.7-73-174.7176.1156.14.8112K192 S199 S200 P268 D269K192-R197 VanDerWaalsContact CE-O 3.25Å; K192-R197 WeakPolarHBondContact CE-O 3.43Å; K192-R197 PolarHBondContact NZ-O 3.48Å; R197-S199 VanDerWaalsContact C-N 3.28Å; R197-S199 PolarHBondContact O-N 3.41Å; R197-S200 WeakPolarHBondContact O-CB 3.04Å; R197-S200 PolarHBondContact O-N 3.29Å; R197-S200 VanDerWaalsContact O-N 3.17Å; R197-P268 HydrophobicContact CG-CB 4.18Å; R197-D269 WeakPolarHBondContact CB-OD1 3.38Å; R197-D269 WeakPolarHBondContact CD-OD1 3.25Å; R197-D269 WeakPolarHBondContact CG-OD1 3.48Å
198N87.8Confident93.8Very high106 Ų10628.8 Ų28.857%0.56715%0.146SC*.THydrogen-bonded Turntrans-67.4-34.2177.1-71.4-28.6000111.5S200 D269N198-S200 PolarHBondContact O-N 3.45Å; N198-D269 VanDerWaalsContact CB-OD2 3.3Å; N198-D269 WeakPolarHBondContact CB-OD2 3.09Å; N198-D269 PolarHBondContact N-OD2 2.84Å
199S87.4Confident93.7Very high99 Ų9929.1 Ų29.169%0.69215%0.151SC*.THydrogen-bonded Turntrans-66.4-15.5174.553.20000114.5R197 D269R197-S199 VanDerWaalsContact C-N 3.28Å; R197-S199 PolarHBondContact O-N 3.41Å; S199-D269 PolarHBondContact OG-OD1 2.98Å
200S88.8Confident93.7Very high46 Ų4629.6 Ų29.632%0.32215%0.153SC..SBendtrans-88.2145-178.4-177.60000112.3K192 R197 N198 E202K192-S200 PolarHBondContact NZ-O 2.99Å; R197-S200 WeakPolarHBondContact O-CB 3.04Å; R197-S200 PolarHBondContact O-N 3.29Å; R197-S200 VanDerWaalsContact O-N 3.17Å; N198-S200 PolarHBondContact O-N 3.45Å; S200-E202 PolarHBondContact O-N 2.93Å; S200-E202 WeakPolarHBondContact OG-CB 3.29Å; S200-E202 PolarHBondContact OG-N 2.88Å
201L90.3Very high93.3Very high63 Ų6333 Ų3333%0.3317%0.17SC..  trans-70.8-10.5167.1-62.1179000112.8H135 F168 R169 S203H135-L201 HydrophobicContact CB-CD1 4.33Å; F168-L201 HydrophobicContact CB-CB 4.22Å; R169-L201 PolarHBondContact N-O 2.69Å; L201-S203 PolarHBondContact O-N 3.4Å
202E93.8Very high92.5Very high16 Ų1633.3 Ų33.38%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-54.6122.5176.3-178177.888.200111.2K28 K166 F168 K192 S196 S200 F204K28-E202 WeakPolarHBondContact CE-OE1 3.45Å; K28-E202 IonicContact NZ-OE1 2.86Å; K28-E202 PolarHBondContact NZ-OE1 2.91Å; K28-E202 IonicContact NZ-OE2 3.97Å; K28-E202 PolarHBondContact NZ-OE2 3.47Å; K166-E202 HydrophobicContact CD-CG 4.17Å; K166-E202 WeakPolarHBondContact CE-OE2 3.49Å; K166-E202 HydrophobicContact CG-CG 4.24Å; K166-E202 IonicContact NZ-OE2 3.75Å; K166-E202 PolarHBondContact NZ-OE2 3.04Å; F168-E202 HydrophobicContact CE1-CB 4.49Å; K192-E202 PolarHBondContact NZ-O 3.41Å; S196-E202 VanDerWaalsContact CB-OE1 3.26Å; S196-E202 WeakPolarHBondContact CB-OE1 3.32Å; S196-E202 PolarHBondContact OG-OE1 2.9Å; S200-E202 PolarHBondContact O-N 2.93Å; S200-E202 WeakPolarHBondContact OG-CB 3.29Å; S200-E202 PolarHBondContact OG-N 2.88Å; E202-F204 HydrophobicContact CG-CE2 4.08Å
203S95.6Very high91.2Very high3 Ų333.9 Ų33.92%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-141.1175.8169.1-56.90000107.8V167 A191 L201V167-S203 PolarHBondContact N-O 3.41Å; V167-S203 PolarHBondContact O-N 2.76Å; A191-S203 CarbonylContact O-C 3.54Å; A191-S203 WeakPolarHBondContact O-CA 3.43Å; L201-S203 PolarHBondContact O-N 3.4Å
204F97.3Very high89.4Confident0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-125.9147.1175.8-68.3-97.3000108.5K28 I32 W59 D126 A165 K166 F190 A191 P193 E202 I206K28-F204 HydrophobicContact CB-CE2 4.34Å; K28-F204 HydrophobicContact CB-CZ 4.24Å; K28-F204 HydrophobicContact CD-CE2 3.86Å; K28-F204 HydrophobicContact CD-CZ 3.64Å; I32-F204 HydrophobicContact CD1-CB 3.88Å; I32-F204 HydrophobicContact CD1-CD1 3.86Å; I32-F204 HydrophobicContact CD1-CD2 4.03Å; I32-F204 HydrophobicContact CD1-CE1 4.46Å; I32-F204 HydrophobicContact CD1-CG 3.62Å; W59-F204 AromaticContact CH2-CD1 3.74Å; W59-F204 HydrophobicContact CH2-CD1 3.74Å; W59-F204 AromaticContact CH2-CE1 3.37Å; W59-F204 HydrophobicContact CH2-CE1 3.37Å; W59-F204 HydrophobicContact CH2-CZ 4.34Å; W59-F204 HydrophobicContact CZ2-CD1 4.2Å; W59-F204 AromaticContact CZ2-CE1 3.47Å; W59-F204 HydrophobicContact CZ2-CE1 3.47Å; W59-F204 VanDerWaalsContact CZ2-CE1 3.47Å; W59-F204 HydrophobicContact CZ2-CZ 4.01Å; D126-F204 WeakPolarHBondContact OD1-CE1 3.41Å; D126-F204 VanDerWaalsContact OD1-CZ 3.26Å; D126-F204 WeakPolarHBondContact OD1-CZ 3.35Å; A165-F204 CarbonylContact O-C 3.39Å; A165-F204 VanDerWaalsContact O-CA 3.24Å; A165-F204 WeakPolarHBondContact O-CA 3.26Å; K166-F204 HydrophobicContact CB-CD1 4.04Å; K166-F204 HydrophobicContact CB-CE1 3.63Å; K166-F204 HydrophobicContact CB-CZ 4.15Å; K166-F204 HydrophobicContact CD-CZ 4.39Å; K166-F204 HydrophobicContact CG-CE1 4.26Å; K166-F204 HydrophobicContact CG-CZ 4.29Å; F190-F204 CarbonylContact C-O 3.58Å; F190-F204 VanDerWaalsContact CA-O 3.28Å; F190-F204 WeakPolarHBondContact CA-O 3.3Å; A191-F204 PolarHBondContact N-O 3.33Å; A191-F204 PolarHBondContact O-N 2.78Å; P193-F204 VanDerWaalsContact CD-CD2 3.46Å; P193-F204 HydrophobicContact CG-CD2 3.63Å; P193-F204 HydrophobicContact CG-CE2 3.82Å; E202-F204 HydrophobicContact CG-CE2 4.08Å; F204-I206 HydrophobicContact CB-CD1 4.42Å
205V96.4Very high87.4Confident0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-103.5134.4167.6700000108.5V164 A165 V167 L180 V188 S189 F190V164-V205 VanDerWaalsContact CA-O 3.3Å; V164-V205 WeakPolarHBondContact CA-O 3.35Å; A165-V205 HydrophobicContact CB-CG1 4.32Å; A165-V205 PolarHBondContact N-O 3.05Å; A165-V205 PolarHBondContact O-N 3.02Å; V167-V205 HydrophobicContact CG1-CB 4.19Å; V167-V205 HydrophobicContact CG1-CG1 3.93Å; L180-V205 HydrophobicContact CD1-CB 4.28Å; L180-V205 HydrophobicContact CD1-CG1 3.9Å; L180-V205 HydrophobicContact CD1-CG2 3.64Å; V188-V205 HydrophobicContact CG1-CG2 4Å; S189-V205 WeakPolarHBondContact O-CA 3.34Å; F190-V205 HydrophobicContact CD1-CB 4.08Å; F190-V205 HydrophobicContact CD1-CG2 4.19Å; F190-V205 HydrophobicContact CE1-CB 4.02Å; F190-V205 HydrophobicContact CE1-CG2 4.01Å
206I97.3Very high85.2Confident0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-113.8120.4174.2-62.178.8000106.1I32 Y36 I38 V164 V188 S189 A191 F204 R208I32-I206 HydrophobicContact CG2-CD1 4.4Å; I32-I206 HydrophobicContact CG2-CG1 4.04Å; Y36-I206 HydrophobicContact CD1-CG2 4.22Å; Y36-I206 HydrophobicContact CD2-CD1 4.28Å; Y36-I206 HydrophobicContact CD2-CG1 4.1Å; Y36-I206 HydrophobicContact CE2-CD1 3.82Å; Y36-I206 HydrophobicContact CE2-CG1 4.09Å; Y36-I206 HydrophobicContact CG-CG1 4.4Å; Y36-I206 HydrophobicContact CG-CG2 4.39Å; I38-I206 HydrophobicContact CG2-CG2 4.47Å; V164-I206 HydrophobicContact CG1-CG1 4.44Å; V164-I206 HydrophobicContact CG2-CG1 4.33Å; V164-I206 HydrophobicContact CG2-CG2 4.43Å; V188-I206 VanDerWaalsContact CA-O 3.28Å; V188-I206 WeakPolarHBondContact CA-O 3.45Å; S189-I206 PolarHBondContact N-O 3.24Å; S189-I206 PolarHBondContact O-N 3.02Å; A191-I206 HydrophobicContact CB-CD1 3.29Å; F204-I206 HydrophobicContact CB-CD1 4.42Å; I206-R208 HydrophobicContact CG2-CG 4.5Å
207C96.2Very high83.2Confident0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-122.1124.6-179.5-55.70000109.6T162 F163 F184 V188T162-C207 CarbonylContact C-O 3.56Å; T162-C207 VanDerWaalsContact CA-O 3.32Å; T162-C207 WeakPolarHBondContact CA-O 3.36Å; T162-C207 WeakPolarHBondContact CG2-O 3.49Å; F163-C207 HydrophobicContact CB-CB 4.23Å; F163-C207 HydrophobicContact CD1-CB 4.45Å; F163-C207 PolarHBondContact N-O 2.89Å; F163-C207 PolarHBondContact O-N 2.74Å; F184-C207 HydrophobicContact CB-CB 4.38Å; F184-C207 HydrophobicContact CD1-CB 3.55Å; F184-C207 HydrophobicContact CD2-CB 3.61Å; F184-C207 HydrophobicContact CE1-CB 3.58Å; F184-C207 HydrophobicContact CE2-CB 3.67Å; F184-C207 HydrophobicContact CG-CB 3.59Å; F184-C207 HydrophobicContact CZ-CB 3.67Å; V188-C207 HydrophobicContact CG2-CB 4.28Å
208R94.9Very high81.5Confident67 Ų6749 Ų4925%0.25326%0.264SS..  trans-115.7150.2-179.5-69.6-179158.3172.4-12.2111.8Y36 T162 G186 E187 I206Y36-R208 PolarHBondContact O-NH2 3.21Å; T162-R208 HydrophobicContact CG2-CG 4.23Å; G186-R208 WeakPolarHBondContact CA-O 3.43Å; G186-R208 PolarHBondContact N-O 3.45Å; E187-R208 PolarHBondContact O-N 3.28Å; E187-R208 IonicContact OE2-NH1 3.72Å; I206-R208 HydrophobicContact CG2-CG 4.5Å
209G93.4Very high79.6Confident13 Ų1347.2 Ų47.213%0.13426%0.255CS..SBendtrans74.155.2175.100000112.3G161 F184 S185 M211G161-G209 PolarHBondContact O-N 3.12Å; F184-G209 CarbonylContact C-O 3.57Å; F184-G209 WeakPolarHBondContact CA-O 3.45Å; S185-G209 PolarHBondContact N-O 3.25Å; S185-G209 PolarHBondContact OG-O 3.09Å; G209-M211 PolarHBondContact O-N 3.21Å
210F94.3Very high77.3Confident10 Ų1051.6 Ų51.64%0.04426%0.261CS..BIsolated β-bridgetrans-54.5127.4177.6-176.3-118.8000111.6L157 E158 L159 G160 G161 L183 F184L157-F210 HydrophobicContact CB-CD1 4Å; L157-F210 HydrophobicContact CB-CE1 4.22Å; L157-F210 HydrophobicContact CB-CG 4.45Å; L157-F210 HydrophobicContact CD2-CB 3.61Å; L157-F210 HydrophobicContact CD2-CD1 3.98Å; L157-F210 HydrophobicContact CD2-CD2 3.97Å; L157-F210 HydrophobicContact CD2-CG 3.58Å; L157-F210 HydrophobicContact CG-CB 4.09Å; L157-F210 HydrophobicContact CG-CD1 3.95Å; L157-F210 HydrophobicContact CG-CG 4.04Å; L157-F210 WeakPolarHBondContact O-CE1 3.42Å; E158-F210 WeakPolarHBondContact O-CD1 3.32Å; L159-F210 CarbonylContact C-O 3.52Å; L159-F210 VanDerWaalsContact CA-O 3.32Å; L159-F210 WeakPolarHBondContact CA-O 3.27Å; G160-F210 PolarHBondContact N-O 2.87Å; G161-F210 PolarHBondContact O-N 3.43Å; L183-F210 HydrophobicContact CB-CE2 4.47Å; F184-F210 VanDerWaalsContact CD1-CA 3.47Å; F184-F210 HydrophobicContact CD1-CB 3.94Å; F184-F210 HydrophobicContact CD1-CD2 4.2Å; F184-F210 HydrophobicContact CE1-CB 3.63Å; F184-F210 AromaticContact CE1-CD2 3.7Å; F184-F210 HydrophobicContact CE1-CD2 3.7Å; F184-F210 HydrophobicContact CE1-CG 4.12Å; F184-F210 HydrophobicContact CE2-CD2 4.08Å; F184-F210 HydrophobicContact CZ-CB 4.38Å; F184-F210 AromaticContact CZ-CD2 3.61Å; F184-F210 HydrophobicContact CZ-CD2 3.61Å; F184-F210 HydrophobicContact CZ-CE2 4.39Å; F184-F210 HydrophobicContact CZ-CG 4.4Å
211M88.6Confident75.2Confident79 Ų7955 Ų5539%0.38928%0.282SS..  trans-106.3-16.1178-63.7-173.778.500112.9L159 L183 S185 G209 R214L159-M211 VanDerWaalsContact CD2-O 3.29Å; L159-M211 WeakPolarHBondContact CD2-O 3.41Å; L183-M211 PolarHBondContact O-N 3.1Å; S185-M211 WeakPolarHBondContact CB-SD 3.46Å; G209-M211 PolarHBondContact O-N 3.21Å; M211-R214 PolarHBondContact SD-NH2 3.31Å
212G79.1Confident72.8Confident7 Ų757.1 Ų57.17%0.07230%0.302CS..  trans78177.6-16500000113.2R214G212-R214 PolarHBondContact O-N 3.43Å
213P68.4Low70Confident36 Ų3662.3 Ų62.323%0.23434%0.335CS..  trans-65126176.125.6-31.2000110.5L183 L215L183-P213 HydrophobicContact CD2-CB 4.46Å; P213-L215 VanDerWaalsContact C-N 3.29Å; P213-L215 PolarHBondContact O-N 2.86Å
214R58.3Low67.1Low76 Ų7667.3 Ų67.329%0.28737%0.368SS..  trans-75.584.6166.4-65.2-171.5-169.6170.26.1108.9M211 G212 E245M211-R214 PolarHBondContact SD-NH2 3.31Å; G212-R214 PolarHBondContact O-N 3.43Å; R214-E245 IonicContact NH1-OE2 2.65Å
215L50.2Low64.1Low73 Ų7372.7 Ų72.738%0.38240%0.404SS..  trans-69.8131.5164.5-79.4150.8000108.3P213 T217 L237P213-L215 VanDerWaalsContact C-N 3.29Å; P213-L215 PolarHBondContact O-N 2.86Å; L215-T217 PolarHBondContact O-N 3.47Å; L215-T217 VanDerWaalsContact O-N 3.14Å; L215-L237 HydrophobicContact CD2-CB 4.5Å; L215-L237 HydrophobicContact CD2-CD2 3.39Å; L215-L237 HydrophobicContact CD2-CG 4.37Å
216R48Very low61.4Low98 Ų9881.7 Ų81.737%0.3745%0.446SS..  trans-48.3119.3167.5-94.2-174.979.9159.16.4110.1D218 L219 D242 N243 E245R216-D218 WeakPolarHBondContact CB-OD1 3.28Å; R216-D218 IonicContact CZ-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.83Å; R216-D218 VanDerWaalsContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.19Å; R216-D218 PolarHBondContact NE-OD1 3.46Å; R216-D218 IonicContact NE-OD2 3.95Å; R216-D218 PolarHBondContact NE-OD2 2.89Å; R216-D218 IonicContact NH2-OD1 2.65Å; R216-D218 IonicContact NH2-OD2 3.72Å; R216-D218 PolarHBondContact NH2-OD2 3.44Å; R216-D218 PolarHBondContact O-N 2.85Å; R216-L219 HydrophobicContact CB-CD1 3.92Å; R216-L219 HydrophobicContact CB-CG 3.93Å; R216-L219 PolarHBondContact O-N 3.22Å; R216-D242 WeakPolarHBondContact CD-O 3.41Å; R216-N243 PolarHBondContact N-O 3.28Å; R216-E245 HydrophobicContact CG-CG 4.39Å
217T51Low58.7Low142 Ų14288.6 Ų88.687%0.87148%0.483SS*.THydrogen-bonded Turntrans-67.1-16-178.853.10000112.9L215L215-T217 PolarHBondContact O-N 3.47Å; L215-T217 VanDerWaalsContact O-N 3.14Å
218D54.3Low56Low95 Ų9595.7 Ų95.751%0.50852%0.516SS..THydrogen-bonded Turntrans-86.9-7.9178.663.6-52.1000114.2R216 K220R216-D218 WeakPolarHBondContact CB-OD1 3.28Å; R216-D218 IonicContact CZ-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.83Å; R216-D218 VanDerWaalsContact CZ-OD2 3.26Å; R216-D218 IonicContact NE-OD1 3.19Å; R216-D218 PolarHBondContact NE-OD1 3.46Å; R216-D218 IonicContact NE-OD2 3.95Å; R216-D218 PolarHBondContact NE-OD2 2.89Å; R216-D218 IonicContact NH2-OD1 2.65Å; R216-D218 IonicContact NH2-OD2 3.72Å; R216-D218 PolarHBondContact NH2-OD2 3.44Å; R216-D218 PolarHBondContact O-N 2.85Å; D218-K220 PolarHBondContact O-N 3.48Å
219L47.3Very low53.6Low69 Ų6996.3 Ų96.336%0.36153%0.53SS..  trans-72.294.2166.9-67.1171.2000108.7R216 N243R216-L219 HydrophobicContact CB-CD1 3.92Å; R216-L219 HydrophobicContact CB-CG 3.93Å; R216-L219 PolarHBondContact O-N 3.22Å; L219-N243 HydrophobicContact CD1-CB 4.07Å; L219-N243 VanDerWaalsContact CD1-OD1 3.23Å; L219-N243 WeakPolarHBondContact CD1-OD1 3.37Å
220K40.6Very low51.3Low191 Ų191101.1 Ų101.183%0.8356%0.562SS**  trans-52.2125152.9-77.2178.5178175.20105.6D218 S222D218-K220 PolarHBondContact O-N 3.48Å; K220-S222 PolarHBondContact O-N 3.48Å
221P44Very low49Very low117 Ų117106 Ų10676%0.7659%0.589SS**  trans-52.7112.5171.120.5-29.7000105.6T223P221-T223 PolarHBondContact O-N 2.9Å
222S39.6Very low46.9Very low107 Ų107106 Ų10675%0.74859%0.59SS**  trans-50.5130.5168.538.20000105.3K220K220-S222 PolarHBondContact O-N 3.48Å
223T34.3Very low45.5Very low125 Ų125109.4 Ų109.477%0.76761%0.606SS**  trans-30.5122.6178.7-1.30000109.5P221 C225P221-T223 PolarHBondContact O-N 2.9Å; T223-C225 PolarHBondContact O-N 2.67Å
224P36.5Very low44.8Very low109 Ų109110.3 Ų110.371%0.70861%0.609SS**  trans-52.2114.4178.6-22.330.6000107.3E226P224-E226 PolarHBondContact O-N 2.89Å
225C34Very low44.3Very low113 Ų113109.6 Ų109.676%0.76461%0.61SS**  trans-58.9113.1164.5-67.30000104.5T223 N227T223-C225 PolarHBondContact O-N 2.67Å; C225-N227 PolarHBondContact O-N 3.24Å
226E39.5Very low44.5Very low189 Ų189111.3 Ų111.388%0.88362%0.619SS**THydrogen-bonded Turntrans-61.29.8-163.3-70.2-173.7148.400115.8P224P224-E226 PolarHBondContact O-N 2.89Å
227N39.5Very low44.9Very low144 Ų144109.4 Ų109.477%0.7762%0.617SS**THydrogen-bonded Turntrans-121.612.3-169.2-70-17.6000116.3C225C225-N227 PolarHBondContact O-N 3.24Å
228H39.4Very low44.9Very low150 Ų150105 Ų10569%0.69458%0.584SS**SBendtrans-130.3126.1167.4-71.8-66.7000111.4S230H228-S230 PolarHBondContact O-N 2.86Å; H228-S230 VanDerWaalsContact O-N 3.14Å
229S44.4Very low44.9Very low80 Ų80108.6 Ų108.656%0.55959%0.592SS**  trans-27.7114.9167.3170.60000111N231 D232S229-N231 PolarHBondContact O-N 3.34Å; S229-D232 PolarHBondContact O-N 2.93Å; S229-D232 PolarHBondContact OG-OD2 2.87Å
230S46.7Very low45.7Very low114 Ų114108.8 Ų108.880%0.79759%0.593SS**THydrogen-bonded Turntrans-65.66.6-163.353.90000116H228H228-S230 PolarHBondContact O-N 2.86Å; H228-S230 VanDerWaalsContact O-N 3.14Å
231N44.6Very low46.7Very low113 Ų113108.2 Ų108.260%0.60459%0.59SS**THydrogen-bonded Turntrans-117.6-6.2-176.3-74.8-19000115S229S229-N231 PolarHBondContact O-N 3.34Å
232D44.5Very low47.7Very low77 Ų77108.3 Ų108.341%0.41259%0.585SS.*SBendtrans-94.5-9.2-165.5-70.5-28.5000116.1Q105 S229Q105-D232 PolarHBondContact OE1-OD1 2.95Å; S229-D232 PolarHBondContact O-N 2.93Å; S229-D232 PolarHBondContact OG-OD2 2.87Å
233N51.3Low48.8Very low79 Ų79104.1 Ų104.142%0.42255%0.554SS.*THydrogen-bonded Turntrans-100.115.9-169.4-77-14.6000116.5L235 L236 L237N233-L235 PolarHBondContact O-N 3.49Å; N233-L236 HydrophobicContact CB-CB 4.16Å; N233-L236 PolarHBondContact O-N 3.24Å; N233-L236 VanDerWaalsContact O-N 3.14Å; N233-L236 WeakPolarHBondContact OD1-CD1 3.48Å; N233-L237 PolarHBondContact O-N 3.43Å
234L53.5Low50.2Low55 Ų55101.3 Ų101.329%0.28853%0.531SS..Hα-helixtrans-59.7-33.5173.2-163.7116.8000111.9L237 W238L234-L237 WeakPolarHBondContact O-CB 3.02Å; L234-W238 HydrophobicContact CD2-CH2 4.36Å; L234-W238 HydrophobicContact CD2-CZ2 3.6Å; L234-W238 PolarHBondContact O-N 3.4Å
235L47.9Very low51.6Low61 Ų61101.4 Ų101.432%0.31952%0.522SS..Hα-helixtrans-68.4-41174.4-92.5163.8000112.5T151 N233 L237 W238 Y239T151-L235 HydrophobicContact CG2-CD1 4.06Å; T151-L235 HydrophobicContact CG2-CD2 4.21Å; T151-L235 HydrophobicContact CG2-CG 4.1Å; N233-L235 PolarHBondContact O-N 3.49Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.24Å; L235-W238 HydrophobicContact CD2-CE3 3.98Å; L235-W238 HydrophobicContact CD2-CZ3 4.32Å; L235-W238 WeakPolarHBondContact O-CA 3.48Å; L235-W238 WeakPolarHBondContact O-CB 3.37Å; L235-W238 PolarHBondContact O-N 2.66Å; L235-Y239 VanDerWaalsContact O-CD2 3.28Å; L235-Y239 WeakPolarHBondContact O-CD2 3.28Å; L235-Y239 PolarHBondContact O-N 3.16Å
236L53.7Low53.3Low109 Ų109103.5 Ų103.557%0.57153%0.525SS*.Hα-helixtrans-65.6-36.5177-104.6142.9000111.5N233 W238 Y239N233-L236 HydrophobicContact CB-CB 4.16Å; N233-L236 PolarHBondContact O-N 3.24Å; N233-L236 VanDerWaalsContact O-N 3.14Å; N233-L236 WeakPolarHBondContact OD1-CD1 3.48Å; L236-W238 PolarHBondContact O-N 3.24Å; L236-Y239 PolarHBondContact O-N 3.31Å; L236-Y239 VanDerWaalsContact O-N 3.12Å
237L55.9Low54.6Low59 Ų5997.9 Ų97.931%0.30950%0.504SS..Hα-helixtrans-57.1-28.7169.8-89.1139.9000112.4L215 N233 L234 L235 N243L215-L237 HydrophobicContact CD2-CB 4.5Å; L215-L237 HydrophobicContact CD2-CD2 3.39Å; L215-L237 HydrophobicContact CD2-CG 4.37Å; N233-L237 PolarHBondContact O-N 3.43Å; L234-L237 WeakPolarHBondContact O-CB 3.02Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.24Å; L237-N243 WeakPolarHBondContact CD2-ND2 3.38Å; L237-N243 PolarHBondContact O-ND2 3.28Å
238W51.8Low56Low49 Ų4994 Ų9419%0.18648%0.483CS..Hα-helixtrans-80.6-19.6177.8-64.8-6000115L147 V150 T151 L234 L235 L236 F244L147-W238 HydrophobicContact CD1-CZ3 4.47Å; V150-W238 HydrophobicContact CG1-CH2 4.42Å; T151-W238 WeakPolarHBondContact OG1-CZ3 3.43Å; L234-W238 HydrophobicContact CD2-CH2 4.36Å; L234-W238 HydrophobicContact CD2-CZ2 3.6Å; L234-W238 PolarHBondContact O-N 3.4Å; L235-W238 HydrophobicContact CD2-CE3 3.98Å; L235-W238 HydrophobicContact CD2-CZ3 4.32Å; L235-W238 WeakPolarHBondContact O-CA 3.48Å; L235-W238 WeakPolarHBondContact O-CB 3.37Å; L235-W238 PolarHBondContact O-N 2.66Å; L236-W238 PolarHBondContact O-N 3.24Å; W238-F244 HydrophobicContact CB-CZ 4.15Å; W238-F244 AromaticContact CD1-CZ 3.7Å; W238-F244 HydrophobicContact CG-CZ 4.13Å
239Y55.2Low57.5Low171 Ų17192 Ų9267%0.67149%0.486SS*.Hα-helixtrans-82-23.5177.8-81.2-77.2000113L235 L236L235-Y239 VanDerWaalsContact O-CD2 3.28Å; L235-Y239 WeakPolarHBondContact O-CD2 3.28Å; L235-Y239 PolarHBondContact O-N 3.16Å; L236-Y239 PolarHBondContact O-N 3.31Å; L236-Y239 VanDerWaalsContact O-N 3.12Å
240D63.8Low58.8Low72 Ų7291.7 Ų91.739%0.38548%0.484SS..  trans-87.4113177.9-174.7-2.4000110.4D242 N243 F244D240-D242 PolarHBondContact O-N 3.32Å; D240-D242 WeakPolarHBondContact OD1-CB 3.29Å; D240-D242 PolarHBondContact OD1-N 3.25Å; D240-N243 WeakPolarHBondContact CB-ND2 3.38Å; D240-N243 WeakPolarHBondContact O-CB 3.33Å; D240-N243 PolarHBondContact O-N 3.07Å; D240-F244 WeakPolarHBondContact O-CD2 3.12Å
241K60.6Low59.9Low180 Ų18086.8 Ų86.878%0.78345%0.448SS*.G310 helixtrans-62.6-29.3-179.8-72.7-176.3176.4-179.30112.3N243 F244K241-N243 PolarHBondContact O-N 2.9Å; K241-F244 PolarHBondContact O-N 2.92Å
242D65.1Low61.1Low119 Ų11988 Ų8864%0.63645%0.45SS*.G310 helixtrans-70.3-14.7-176.8-65.2-28.3000112.1R216 D240 F244R216-D242 WeakPolarHBondContact CD-O 3.41Å; D240-D242 PolarHBondContact O-N 3.32Å; D240-D242 WeakPolarHBondContact OD1-CB 3.29Å; D240-D242 PolarHBondContact OD1-N 3.25Å; D242-F244 VanDerWaalsContact C-N 3.29Å; D242-F244 PolarHBondContact O-N 3.45Å
243N63.8Low62.5Low18 Ų1886.5 Ų86.510%0.09645%0.449CS..G310 helixtrans-77.6-12.4177-68.5-25.7000114.7R216 L219 L237 D240 K241R216-N243 PolarHBondContact N-O 3.28Å; L219-N243 HydrophobicContact CD1-CB 4.07Å; L219-N243 VanDerWaalsContact CD1-OD1 3.23Å; L219-N243 WeakPolarHBondContact CD1-OD1 3.37Å; L237-N243 WeakPolarHBondContact CD2-ND2 3.38Å; L237-N243 PolarHBondContact O-ND2 3.28Å; D240-N243 WeakPolarHBondContact CB-ND2 3.38Å; D240-N243 WeakPolarHBondContact O-CB 3.33Å; D240-N243 PolarHBondContact O-N 3.07Å; K241-N243 PolarHBondContact O-N 2.9Å
244F62.9Low63.9Low67 Ų6791.1 Ų91.129%0.29447%0.473SS..SBendtrans-106.9150-175.9-64.9-81.7000111.9W238 D240 K241 D242W238-F244 HydrophobicContact CB-CZ 4.15Å; W238-F244 AromaticContact CD1-CZ 3.7Å; W238-F244 HydrophobicContact CG-CZ 4.13Å; D240-F244 WeakPolarHBondContact O-CD2 3.12Å; K241-F244 PolarHBondContact O-N 2.92Å; D242-F244 VanDerWaalsContact C-N 3.29Å; D242-F244 PolarHBondContact O-N 3.45Å
245E66.4Low65.5Low110 Ų11089.7 Ų89.751%0.51447%0.465SS..PPolyproline II helixtrans-65.9148.9165.2-64.1177164.500110.1R214 R216 V247R214-E245 IonicContact NH1-OE2 2.65Å; R216-E245 HydrophobicContact CG-CG 4.39Å; E245-V247 PolarHBondContact O-N 2.66Å
246D67.9Low67.5Low157 Ų15789.5 Ų89.584%0.8447%0.468SS*.PPolyproline II helixtrans-56.8139.3171.5-76.9-41000110.9N248D246-N248 PolarHBondContact O-N 2.8Å; D246-N248 VanDerWaalsContact O-N 3.14Å
247V67.3Low69.4Low71 Ų7188.7 Ų88.743%0.4346%0.46SS..PPolyproline II helixtrans-62.4118.3179.3-174.70000109.1E245 Q251 Q252E245-V247 PolarHBondContact O-N 2.66Å; V247-Q251 HydrophobicContact CG1-CB 3.48Å; V247-Q251 VanDerWaalsContact CG1-CB 3.48Å; V247-Q252 HydrophobicContact CG1-CG 3.75Å
248N70Confident71.2Confident63 Ų6388.4 Ų88.434%0.33746%0.458SS..PPolyproline II helixtrans-79.3163.5-179.866.222.5000111.8D246 S250 Q251 Q252D246-N248 PolarHBondContact O-N 2.8Å; D246-N248 VanDerWaalsContact O-N 3.14Å; N248-S250 PolarHBondContact ND2-OG 3.35Å; N248-S250 PolarHBondContact O-N 3.44Å; N248-S250 VanDerWaalsContact O-N 3.13Å; N248-S250 PolarHBondContact OD1-N 2.93Å; N248-S250 PolarHBondContact OD1-OG 3.1Å; N248-Q251 WeakPolarHBondContact O-CB 3.28Å; N248-Q251 PolarHBondContact O-N 3.47Å; N248-Q251 VanDerWaalsContact OD1-CB 3.32Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.48Å; N248-Q251 VanDerWaalsContact OD1-CD 3.28Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.14Å; N248-Q251 PolarHBondContact OD1-N 2.81Å; N248-Q251 PolarHBondContact OD1-OE1 3.4Å; N248-Q252 PolarHBondContact O-N 2.94Å
249S70.9Confident73.1Confident109 Ų10989.9 Ų89.976%0.76248%0.48SS*.THydrogen-bonded Turntrans-60.1-26.3178.8-44.50000112.6
250S70.1Confident74.8Confident73 Ų7381.8 Ų81.851%0.5145%0.449SS..THydrogen-bonded Turntrans-65.7-44.8175.676.90000109.3R181 N248R181-S250 PolarHBondContact NH1-O 2.82Å; R181-S250 PolarHBondContact NH2-O 2.92Å; N248-S250 PolarHBondContact ND2-OG 3.35Å; N248-S250 PolarHBondContact O-N 3.44Å; N248-S250 VanDerWaalsContact O-N 3.13Å; N248-S250 PolarHBondContact OD1-N 2.93Å; N248-S250 PolarHBondContact OD1-OG 3.1Å
251Q70.2Confident75.8Confident10 Ų1079.9 Ų79.95%0.04745%0.446CS..THydrogen-bonded Turntrans-68.2-27.2-179.5-73.3161.5-21.800114.9R181 V247 N248 A253R181-Q251 PolarHBondContact NH1-O 2.96Å; V247-Q251 HydrophobicContact CG1-CB 3.48Å; V247-Q251 VanDerWaalsContact CG1-CB 3.48Å; N248-Q251 WeakPolarHBondContact O-CB 3.28Å; N248-Q251 PolarHBondContact O-N 3.47Å; N248-Q251 VanDerWaalsContact OD1-CB 3.32Å; N248-Q251 WeakPolarHBondContact OD1-CB 3.48Å; N248-Q251 VanDerWaalsContact OD1-CD 3.28Å; N248-Q251 WeakPolarHBondContact OD1-CG 3.14Å; N248-Q251 PolarHBondContact OD1-N 2.81Å; N248-Q251 PolarHBondContact OD1-OE1 3.4Å; Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.43Å; Q251-A253 VanDerWaalsContact O-N 3.1Å
252Q71.2Confident77Confident138 Ų13876 Ų7665%0.64543%0.434SS*.SBendtrans-82.274.7170.8-63.5-176.85.200110.8V247 N248V247-Q252 HydrophobicContact CG1-CG 3.75Å; N248-Q252 PolarHBondContact O-N 2.94Å
253A73.7Confident77.9Confident46 Ų4677.6 Ų77.638%0.3844%0.442SS..  trans-124.6149.417800000112.1Q251 L255Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.43Å; Q251-A253 VanDerWaalsContact O-N 3.1Å; A253-L255 PolarHBondContact O-N 3.01Å
254L80.7Confident79.1Confident177 Ų17787.6 Ų87.693%0.92748%0.478SS*.  trans-69.6115164.6-169.882.2000108.1
255L86.5Confident80.1Confident24 Ų2485.8 Ų85.813%0.12648%0.478CS..  trans-74.3139.9178.6-59.5-162.8000111.1R181 V188 F190 A253R181-L255 VanDerWaalsContact CD-CD2 3.44Å; R181-L255 HydrophobicContact CG-CD2 4.4Å; V188-L255 HydrophobicContact CB-CD1 4.38Å; V188-L255 HydrophobicContact CG1-CD1 3.73Å; F190-L255 HydrophobicContact CD2-CB 3.93Å; F190-L255 HydrophobicContact CD2-CD1 4.15Å; F190-L255 HydrophobicContact CE2-CB 4.05Å; F190-L255 HydrophobicContact CE2-CD1 3.67Å; F190-L255 HydrophobicContact CE2-CG 4.3Å; F190-L255 HydrophobicContact CZ-CD1 4.32Å; A253-L255 PolarHBondContact O-N 3.01Å
256P90.7Very high81.2Confident57 Ų5784.7 Ų84.737%0.3747%0.472SS..  trans-64.1148.5174.527.3-32.8000110.7F190 I258F190-P256 PolarHBondContact N-O 2.95Å; P256-I258 HydrophobicContact CB-CD1 4.11Å; P256-I258 HydrophobicContact CB-CG1 4.49Å
257F92.3Very high82.2Confident92 Ų9279.5 Ų79.540%0.40444%0.444SS..EExtended strand (participates in β ladder)trans-122.2106174.3-179.2-114.3000109.2F190 K192F190-F257 HydrophobicContact CB-CD2 3.71Å; F190-F257 HydrophobicContact CB-CE2 4.45Å; F190-F257 CarbonylContact O-C 3.51Å; F190-F257 VanDerWaalsContact O-CA 3.31Å; F190-F257 WeakPolarHBondContact O-CA 3.26Å; K192-F257 HydrophobicContact CB-CE1 4.45Å; K192-F257 HydrophobicContact CB-CE2 3.9Å; K192-F257 HydrophobicContact CB-CZ 3.58Å; K192-F257 HydrophobicContact CD-CZ 3.92Å; K192-F257 HydrophobicContact CG-CZ 4.35Å
258I93.3Very high83.2Confident53 Ų5376.2 Ų76.227%0.27242%0.424SS..EExtended strand (participates in β ladder)trans-104.1129.1-170.5-52.6-55.6000109.9E35 Y36 F190 A191 K192 P256E35-I258 HydrophobicContact CG-CG2 3.93Å; Y36-I258 WeakPolarHBondContact OH-CB 3.48Å; Y36-I258 VanDerWaalsContact OH-CG1 3.25Å; Y36-I258 WeakPolarHBondContact OH-CG1 3.49Å; F190-I258 PolarHBondContact O-N 3.33Å; A191-I258 CarbonylContact C-O 3.49Å; A191-I258 WeakPolarHBondContact CA-O 3.43Å; K192-I258 PolarHBondContact N-O 3.45Å; P256-I258 HydrophobicContact CB-CD1 4.11Å; P256-I258 HydrophobicContact CB-CG1 4.49Å
259A92.3Very high84.1Confident80 Ų8076.3 Ų76.366%0.66143%0.425SS*.EExtended strand (participates in β ladder)trans-85.7119.1169.800000108.9
260C91.6Very high84.9Confident2 Ų274.1 Ų74.11%0.01441%0.407CS..EExtended strand (participates in β ladder)trans-95.3134.7-177.6-53.80000111.4Q31 E35 K192 R194Q31-C260 HydrophobicContact CB-CB 4.17Å; E35-C260 HydrophobicContact CB-CB 4.14Å; K192-C260 PolarHBondContact O-N 2.89Å; R194-C260 WeakPolarHBondContact CB-O 3.38Å; R194-C260 PolarHBondContact N-O 3.32Å
261G84.7Confident85.7Confident31 Ų3174.6 Ų74.632%0.3241%0.407SS..SBendtrans110.4151.7175.100000114.5
262D86.1Confident86.5Confident100 Ų10077.5 Ų77.554%0.53542%0.418SS..  trans-61.9137.9-175.9-173.6-7000112.7R194 R264 G265R194-D262 WeakPolarHBondContact CD-O 3.06Å; R194-D262 VanDerWaalsContact CZ-O 3.27Å; R194-D262 PolarHBondContact NE-O 3.29Å; R194-D262 PolarHBondContact NH1-O 3.17Å; R194-D262 VanDerWaalsContact NH1-O 3.1Å; D262-R264 PolarHBondContact O-N 2.93Å; D262-R264 PolarHBondContact OD1-N 3.04Å; D262-G265 PolarHBondContact O-N 3.42Å
263L84Confident87.2Confident151 Ų15177.7 Ų77.779%0.79143%0.429SS*.THydrogen-bonded Turntrans-57.8-28.6172.2-69.4-179.6000113.5R194 G265R194-L263 PolarHBondContact NH2-O 3.28Å; L263-G265 PolarHBondContact O-N 3.06Å
264R87.4Confident87.6Confident228 Ų22877.3 Ų77.386%0.8642%0.42SS*.THydrogen-bonded Turntrans-75.2-11.1174.4-60.1173.9177.1171.20.9113.3D262D262-R264 PolarHBondContact O-N 2.93Å; D262-R264 PolarHBondContact OD1-N 3.04Å
265G85Confident87.8Confident29 Ų2971.5 Ų71.530%0.29940%0.398SS..SBendtrans-68.2174.3179.900000113.3R194 D262 L263R194-G265 PolarHBondContact NE-O 3.23Å; R194-G265 PolarHBondContact NH2-O 3.05Å; D262-G265 PolarHBondContact O-N 3.42Å; L263-G265 PolarHBondContact O-N 3.06Å
266F89.5Confident87.7Confident87 Ų8777.2 Ų77.238%0.38244%0.436SS..  trans-71.2148.8178.3-61.1-68.7000112.8I11 Y12 L15 R194 Y272I11-F266 HydrophobicContact CD1-CB 3.89Å; I11-F266 HydrophobicContact CD1-CD1 3.14Å; I11-F266 HydrophobicContact CD1-CD2 3.79Å; I11-F266 HydrophobicContact CD1-CE1 3.43Å; I11-F266 VanDerWaalsContact CD1-CE1 3.43Å; I11-F266 HydrophobicContact CD1-CE2 4.04Å; I11-F266 HydrophobicContact CD1-CG 3.32Å; I11-F266 HydrophobicContact CD1-CZ 3.87Å; I11-F266 HydrophobicContact CG1-CB 4.13Å; I11-F266 HydrophobicContact CG1-CD1 4.16Å; I11-F266 HydrophobicContact CG1-CD2 3.98Å; I11-F266 HydrophobicContact CG1-CE2 4.4Å; I11-F266 HydrophobicContact CG1-CG 3.82Å; I11-F266 HydrophobicContact CG2-CB 3.73Å; I11-F266 HydrophobicContact CG2-CG 4.38Å; Y12-F266 PolarHBondContact OH-O 2.93Å; L15-F266 HydrophobicContact CD1-CD2 3.79Å; L15-F266 HydrophobicContact CD1-CE2 3.92Å; R194-F266 WeakPolarHBondContact CD-O 3.47Å; R194-F266 PolarHBondContact NE-O 3.46Å; F266-Y272 HydrophobicContact CB-CE2 4.24Å; F266-Y272 HydrophobicContact CD1-CD1 4.29Å; F266-Y272 AromaticContact CD1-CE1 3.9Å; F266-Y272 HydrophobicContact CD1-CE1 3.9Å; F266-Y272 HydrophobicContact CD1-CE2 4.14Å; F266-Y272 AromaticContact CD1-CZ 3.82Å; F266-Y272 HydrophobicContact CE1-CE1 4.46Å
267D88.9Confident87.4Confident48 Ų4880.6 Ų80.626%0.25745%0.451SS..  trans-88.3121.3170.8-175.8-26.5000108.9D269 V270 Y272D267-D269 PolarHBondContact O-N 2.82Å; D267-D269 WeakPolarHBondContact OD1-CB 3.37Å; D267-D269 PolarHBondContact OD1-N 2.81Å; D267-V270 HydrophobicContact CB-CB 4.01Å; D267-V270 HydrophobicContact CB-CG2 3.78Å; D267-V270 PolarHBondContact O-N 2.97Å; D267-Y272 PolarHBondContact N-OH 3.28Å; D267-Y272 WeakPolarHBondContact O-CE2 3.48Å
268P89.1Confident87Confident2 Ų278.5 Ų78.51%0.01344%0.442CS..THydrogen-bonded Turntrans-67.5-14.8-178.932.7-41.3000114.5Y12 R194 S196 R197Y12-P268 HydrophobicContact CD2-CB 4.01Å; Y12-P268 HydrophobicContact CE2-CB 3.98Å; R194-P268 VanDerWaalsContact O-CD 3.28Å; R194-P268 WeakPolarHBondContact O-CD 3.39Å; R194-P268 WeakPolarHBondContact O-CG 3.35Å; S196-P268 WeakPolarHBondContact O-CG 3.46Å; R197-P268 HydrophobicContact CG-CB 4.18Å
269D88.1Confident86.6Confident65 Ų6582.4 Ų82.435%0.34846%0.462SS..THydrogen-bonded Turntrans-98.2-10.6-179.7-67.8-54.1000112.5R197 N198 S199 D267R197-D269 WeakPolarHBondContact CB-OD1 3.38Å; R197-D269 WeakPolarHBondContact CD-OD1 3.25Å; R197-D269 WeakPolarHBondContact CG-OD1 3.48Å; N198-D269 VanDerWaalsContact CB-OD2 3.3Å; N198-D269 WeakPolarHBondContact CB-OD2 3.09Å; N198-D269 PolarHBondContact N-OD2 2.84Å; S199-D269 PolarHBondContact OG-OD1 2.98Å; D267-D269 PolarHBondContact O-N 2.82Å; D267-D269 WeakPolarHBondContact OD1-CB 3.37Å; D267-D269 PolarHBondContact OD1-N 2.81Å
270V88.6Confident86.2Confident63 Ų6382.1 Ų82.138%0.38245%0.453SS..SBendtrans-95.6141.9179.11770000111.7D267 Y272D267-V270 HydrophobicContact CB-CB 4.01Å; D267-V270 HydrophobicContact CB-CG2 3.78Å; D267-V270 PolarHBondContact O-N 2.97Å; V270-Y272 HydrophobicContact CB-CE2 3.96Å; V270-Y272 HydrophobicContact CG1-CD2 4.45Å; V270-Y272 HydrophobicContact CG1-CE2 4.07Å; V270-Y272 WeakPolarHBondContact O-CD2 3.32Å; V270-Y272 WeakPolarHBondContact O-CE2 3.18Å
271T86.4Confident85.9Confident83 Ų8386.9 Ų86.951%0.50947%0.473SS..  trans-89.3128.3171.5-61.20000109.5K8K8-T271 HydrophobicContact CB-CG2 4.18Å; K8-T271 WeakPolarHBondContact O-CG2 3.35Å
272Y86.1Confident86Confident71 Ų7190.3 Ų90.328%0.27849%0.49SS..  trans-106.1139.8179.7-66.7-93.2000111.1I11 F266 D267 V270 L274I11-Y272 HydrophobicContact CB-CD2 4.06Å; I11-Y272 HydrophobicContact CB-CE2 4.41Å; I11-Y272 HydrophobicContact CD1-CD1 4.38Å; I11-Y272 HydrophobicContact CD1-CD2 3.4Å; I11-Y272 HydrophobicContact CD1-CE2 3.86Å; I11-Y272 HydrophobicContact CD1-CG 3.69Å; I11-Y272 HydrophobicContact CG1-CD2 4.37Å; I11-Y272 HydrophobicContact CG2-CD2 4.36Å; I11-Y272 HydrophobicContact CG2-CE2 4.22Å; F266-Y272 HydrophobicContact CB-CE2 4.24Å; F266-Y272 HydrophobicContact CD1-CD1 4.29Å; F266-Y272 AromaticContact CD1-CE1 3.9Å; F266-Y272 HydrophobicContact CD1-CE1 3.9Å; F266-Y272 HydrophobicContact CD1-CE2 4.14Å; F266-Y272 AromaticContact CD1-CZ 3.82Å; F266-Y272 HydrophobicContact CE1-CE1 4.46Å; D267-Y272 PolarHBondContact N-OH 3.28Å; D267-Y272 WeakPolarHBondContact O-CE2 3.48Å; V270-Y272 HydrophobicContact CB-CE2 3.96Å; V270-Y272 HydrophobicContact CG1-CD2 4.45Å; V270-Y272 HydrophobicContact CG1-CE2 4.07Å; V270-Y272 WeakPolarHBondContact O-CD2 3.32Å; V270-Y272 WeakPolarHBondContact O-CE2 3.18Å; Y272-L274 PolarHBondContact O-N 2.9Å
273T85.5Confident86Confident143 Ų14388.5 Ų88.588%0.87748%0.483SS*.PPolyproline II helixtrans-66.1130.7175.2-510000109.8
274L82.9Confident86.2Confident37 Ų3784.5 Ų84.519%0.19447%0.465CS..PPolyproline II helixtrans-79.9142.7177.4-60.2173.7000109.9K8 R14 Y272 H278K8-L274 HydrophobicContact CG-CD1 3.72Å; K8-L274 HydrophobicContact CG-CG 4.24Å; R14-L274 VanDerWaalsContact CD-CD2 3.45Å; Y272-L274 PolarHBondContact O-N 2.9Å; L274-H278 HydrophobicContact CB-CB 4.16Å
275A85Confident86.1Confident56 Ų5675.4 Ų75.446%0.46343%0.432SS..PPolyproline II helixtrans-60.3147.1171.200000110.2D277 H278A275-D277 WeakPolarHBondContact CB-OD1 3.41Å; A275-D277 PolarHBondContact O-N 3.13Å; A275-D277 VanDerWaalsContact O-N 3.16Å; A275-H278 WeakPolarHBondContact O-CB 3.46Å; A275-H278 PolarHBondContact O-N 3.35Å
276P83.5Confident86.1Confident144 Ų14479 Ų7994%0.93545%0.448SS*.THydrogen-bonded Turntrans-58.9-28.5-176.7-22.933000114
277D86.1Confident85.7Confident128 Ų12878.7 Ų78.768%0.68446%0.455SS*.THydrogen-bonded Turntrans-92.25179.164.4-39.7000113.4A275 I279A275-D277 WeakPolarHBondContact CB-OD1 3.41Å; A275-D277 PolarHBondContact O-N 3.13Å; A275-D277 VanDerWaalsContact O-N 3.16Å; D277-I279 PolarHBondContact O-N 3.44Å; D277-I279 VanDerWaalsContact O-N 3.13Å
278H83.4Confident85.4Confident47 Ų4780.3 Ų80.322%0.21847%0.467CS..  trans-61.3117.9-178174.571.1000111.8E18 L274 A275E18-H278 IonicContact OE1-CE1 3.89Å; E18-H278 PolarHBondContact OE1-CE1 3.12Å; E18-H278 IonicContact OE1-ND1 3.36Å; E18-H278 PolarHBondContact OE1-ND1 3.42Å; L274-H278 HydrophobicContact CB-CB 4.16Å; A275-H278 WeakPolarHBondContact O-CB 3.46Å; A275-H278 PolarHBondContact O-N 3.35Å
279I85.2Confident84.9Confident135 Ų13584.8 Ų84.869%0.69249%0.49SS*.  trans-91.1117.2177.6-56.2175.9000109.4D277 K281D277-I279 PolarHBondContact O-N 3.44Å; D277-I279 VanDerWaalsContact O-N 3.13Å; I279-K281 PolarHBondContact O-N 3.21Å; I279-K281 VanDerWaalsContact O-N 3.13Å
280V83.2Confident84.4Confident75 Ų7582.8 Ų82.846%0.45548%0.481SS..  trans-69.1109.5174.1177.80000109.5D7D7-V280 WeakPolarHBondContact OD2-CG1 3.49Å
281K86.3Confident83.7Confident101 Ų10184.1 Ų84.144%0.43950%0.499SS..PPolyproline II helixtrans-81.8145.2173.5-64.1-169.9-171.2177.80111.3K17 E18 I279K17-K281 HydrophobicContact CB-CB 4.37Å; E18-K281 PolarHBondContact O-NZ 3.3Å; I279-K281 PolarHBondContact O-N 3.21Å; I279-K281 VanDerWaalsContact O-N 3.13Å
282P86.7Confident83.2Confident104 Ų10486.9 Ų86.968%0.67550%0.501SS*.PPolyproline II helixtrans-65.9160.3169.629.9-34.6000110.9V284P282-V284 PolarHBondContact O-N 3.37Å
283P86.1Confident83Confident61 Ų6184.3 Ų84.340%0.39649%0.493SS..PPolyproline II helixtrans-54.3139.9167.9-21.633000110.8Q285P283-Q285 PolarHBondContact O-N 2.87Å
284V87.5Confident82.7Confident68 Ų6882.9 Ų82.941%0.41248%0.477SS..SBendtrans-57.5-38.5179.7177.60000111.4G20 W21 R22 P282G20-V284 VanDerWaalsContact C-CG2 3.44Å; W21-V284 VanDerWaalsContact O-CG2 3.32Å; W21-V284 WeakPolarHBondContact O-CG2 3.32Å; R22-V284 HydrophobicContact CG-CB 4.44Å; R22-V284 HydrophobicContact CG-CG1 4.2Å; P282-V284 PolarHBondContact O-N 3.37Å
285Q86.1Confident82.7Confident36 Ų3685.7 Ų85.717%0.16850%0.495CS..SBendtrans-138.8133.8176.5-164.8-159.9-27.600109.1R22 P56 A90 P283R22-Q285 HydrophobicContact CG-CB 4.07Å; P56-Q285 PolarHBondContact O-OE1 3.48Å; A90-Q285 HydrophobicContact CB-CG 3.99Å; P283-Q285 PolarHBondContact O-N 2.87Å
286V83.6Confident82.4Confident105 Ų10585.6 Ų85.664%0.63649%0.49SS*.  trans-81.5152.4168.3-65.10000109.9V288V286-V288 PolarHBondContact O-N 3.39Å
287P81Confident82.3Confident80 Ų8086 Ų8652%0.51947%0.473SS..  trans-51.8129.9173.9-26.435.1000111.1P290P287-P290 HydrophobicContact CB-CB 3.91Å; P287-P290 HydrophobicContact CB-CG 4.27Å
288V83.9Confident82Confident83 Ų8386.1 Ų86.150%0.50347%0.468SS..SBendtrans-69.6-46.8-178.6-177.80000110.1A88 A90 V286A88-V288 HydrophobicContact CB-CG1 4.28Å; A90-V288 HydrophobicContact CB-CG2 4.4Å; V286-V288 PolarHBondContact O-N 3.39Å
289D77.7Confident81.8Confident95 Ų9586.8 Ų86.851%0.50848%0.478SS..SBendtrans-13488.7171.8-16816.8000110.6S293D289-S293 PolarHBondContact OD1-OG 2.83Å
290P76.8Confident81.5Confident23 Ų2388.9 Ų88.915%0.14948%0.477CS..  trans-71.9141.8179.122.2-24000111.2P287 Y292 S293P287-P290 HydrophobicContact CB-CB 3.91Å; P287-P290 HydrophobicContact CB-CG 4.27Å; P290-Y292 HydrophobicContact CB-CD1 3.71Å; P290-Y292 HydrophobicContact CB-CD2 4.16Å; P290-Y292 HydrophobicContact CB-CE1 3.26Å; P290-Y292 HydrophobicContact CB-CE2 3.75Å; P290-Y292 HydrophobicContact CB-CG 4.13Å; P290-Y292 HydrophobicContact CG-CD2 4.22Å; P290-Y292 HydrophobicContact CG-CE1 4.09Å; P290-Y292 HydrophobicContact CG-CE2 3.64Å; P290-Y292 PolarHBondContact O-N 3.17Å; P290-S293 WeakPolarHBondContact O-CA 3.48Å; P290-S293 WeakPolarHBondContact O-CB 3.45Å; P290-S293 PolarHBondContact O-N 3.38Å; P290-S293 PolarHBondContact O-OG 2.94Å
291A74.2Confident81.3Confident92 Ų9289.9 Ų89.976%0.7648%0.479SS*.THydrogen-bonded Turntrans-54.7-28.6177.200000114.4S293A291-S293 VanDerWaalsContact C-N 3.25Å; A291-S293 PolarHBondContact O-N 3Å
292Y77.4Confident80.8Confident140 Ų14090 Ų9055%0.54949%0.485SS..Hα-helixtrans-77.5-6.5175.559.4-99.4000113.8P290 E294 V295 C296P290-Y292 HydrophobicContact CB-CD1 3.71Å; P290-Y292 HydrophobicContact CB-CD2 4.16Å; P290-Y292 HydrophobicContact CB-CE1 3.26Å; P290-Y292 HydrophobicContact CB-CE2 3.75Å; P290-Y292 HydrophobicContact CB-CG 4.13Å; P290-Y292 HydrophobicContact CG-CD2 4.22Å; P290-Y292 HydrophobicContact CG-CE1 4.09Å; P290-Y292 HydrophobicContact CG-CE2 3.64Å; P290-Y292 PolarHBondContact O-N 3.17Å; Y292-E294 VanDerWaalsContact C-N 3.31Å; Y292-E294 PolarHBondContact O-N 3.24Å; Y292-V295 PolarHBondContact O-N 2.83Å; Y292-C296 WeakPolarHBondContact O-CB 3.23Å; Y292-C296 PolarHBondContact O-N 2.82Å; Y292-C296 PolarHBondContact O-SG 3.28Å; Y292-C296 VanDerWaalsContact O-SG 3.33Å
293S80.4Confident80Confident18 Ų1891.6 Ų91.613%0.12648%0.483CS..Hα-helixtrans-60.3-43.1-179.576.80000110.6D289 P290 A291 C296 R297D289-S293 PolarHBondContact OD1-OG 2.83Å; P290-S293 WeakPolarHBondContact O-CA 3.48Å; P290-S293 WeakPolarHBondContact O-CB 3.45Å; P290-S293 PolarHBondContact O-N 3.38Å; P290-S293 PolarHBondContact O-OG 2.94Å; A291-S293 VanDerWaalsContact C-N 3.25Å; A291-S293 PolarHBondContact O-N 3Å; S293-C296 PolarHBondContact O-N 2.84Å; S293-R297 VanDerWaalsContact O-CG 3.26Å; S293-R297 WeakPolarHBondContact O-CG 3.41Å; S293-R297 PolarHBondContact O-N 2.65Å
294E80.3Confident79.2Confident113 Ų11391 Ų9153%0.52848%0.48SS..Hα-helixtrans-65.3-49.6177.4-62.9-168.2158.100111.5Y292 C296 R297 F298Y292-E294 VanDerWaalsContact C-N 3.31Å; Y292-E294 PolarHBondContact O-N 3.24Å; E294-C296 VanDerWaalsContact C-N 3.26Å; E294-C296 PolarHBondContact O-N 3.4Å; E294-R297 CarbonylContact O-C 3.47Å; E294-R297 WeakPolarHBondContact O-CA 3.37Å; E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.25Å; E294-F298 HydrophobicContact CB-CD2 4.41Å; E294-F298 HydrophobicContact CB-CE2 4.26Å; E294-F298 WeakPolarHBondContact O-CD2 3.45Å; E294-F298 PolarHBondContact O-N 3.33Å
295V81.4Confident77.8Confident96 Ų9691.5 Ų91.558%0.58248%0.481SS*.Hα-helixtrans-57.3-41.7176.7-177.80000110.9Y292 S299Y292-V295 PolarHBondContact O-N 2.83Å; V295-S299 WeakPolarHBondContact O-CB 3.43Å; V295-S299 PolarHBondContact O-N 2.75Å; V295-S299 PolarHBondContact O-OG 3.32Å
296C80.5Confident76.5Confident53 Ų5393.6 Ų93.636%0.35850%0.496SS..Hα-helixtrans-65.5-39174.2-750000112.7Y292 S293 E294 R300Y292-C296 WeakPolarHBondContact O-CB 3.23Å; Y292-C296 PolarHBondContact O-N 2.82Å; Y292-C296 PolarHBondContact O-SG 3.28Å; Y292-C296 VanDerWaalsContact O-SG 3.33Å; S293-C296 PolarHBondContact O-N 2.84Å; E294-C296 VanDerWaalsContact C-N 3.26Å; E294-C296 PolarHBondContact O-N 3.4Å; C296-R300 WeakPolarHBondContact O-CB 3.25Å; C296-R300 VanDerWaalsContact O-CG 3.25Å; C296-R300 WeakPolarHBondContact O-CG 3.22Å; C296-R300 PolarHBondContact O-N 2.93Å
297R80.9Confident75.3Confident153 Ų15391.6 Ų91.658%0.57749%0.487SS*.Hα-helixtrans-64.1-48.7175.5-75170.9-173.21756.2111S293 E294 S299 R300 L301S293-R297 VanDerWaalsContact O-CG 3.26Å; S293-R297 WeakPolarHBondContact O-CG 3.41Å; S293-R297 PolarHBondContact O-N 2.65Å; E294-R297 CarbonylContact O-C 3.47Å; E294-R297 WeakPolarHBondContact O-CA 3.37Å; E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.25Å; R297-S299 PolarHBondContact O-N 3.42Å; R297-R300 PolarHBondContact O-N 3.45Å; R297-L301 WeakPolarHBondContact O-CG 3.46Å; R297-L301 PolarHBondContact O-N 2.92Å
298F80.2Confident73.9Confident131 Ų13194.1 Ų94.158%0.57549%0.49SS*.Hα-helixtrans-61.2-42.2176.5-73.4-64.7000112.2E294 R300 L301 N302E294-F298 HydrophobicContact CB-CD2 4.41Å; E294-F298 HydrophobicContact CB-CE2 4.26Å; E294-F298 WeakPolarHBondContact O-CD2 3.45Å; E294-F298 PolarHBondContact O-N 3.33Å; F298-R300 VanDerWaalsContact C-N 3.33Å; F298-R300 PolarHBondContact O-N 2.86Å; F298-L301 PolarHBondContact O-N 2.89Å; F298-N302 WeakPolarHBondContact O-CB 3.37Å; F298-N302 PolarHBondContact O-N 3.42Å
299S79.1Confident72.3Confident60 Ų6096.7 Ų96.742%0.4249%0.494SS..Hα-helixtrans-61.4-40.6176.4-59.90000112.1V295 R297 Q303V295-S299 WeakPolarHBondContact O-CB 3.43Å; V295-S299 PolarHBondContact O-N 2.75Å; V295-S299 PolarHBondContact O-OG 3.32Å; R297-S299 PolarHBondContact O-N 3.42Å; S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 3.41Å
300R78.8Confident71.1Confident179 Ų17998.1 Ų98.168%0.67550%0.498SS*.Hα-helixtrans-69.5-38.4176.6-73172.2-175178.12.9112.7C296 R297 F298 Q303 S304C296-R300 WeakPolarHBondContact O-CB 3.25Å; C296-R300 VanDerWaalsContact O-CG 3.25Å; C296-R300 WeakPolarHBondContact O-CG 3.22Å; C296-R300 PolarHBondContact O-N 2.93Å; R297-R300 PolarHBondContact O-N 3.45Å; F298-R300 VanDerWaalsContact C-N 3.33Å; F298-R300 PolarHBondContact O-N 2.86Å; R300-Q303 PolarHBondContact O-N 3.48Å; R300-S304 PolarHBondContact O-N 3.26Å; R300-S304 PolarHBondContact O-OG 3.08Å
301L78.1Confident69.8Low96 Ų9699.8 Ų99.850%0.50351%0.51SS..Hα-helixtrans-65.8-39.9174.9-73.7167.9000111.6R297 F298 S304 N305R297-L301 WeakPolarHBondContact O-CG 3.46Å; R297-L301 PolarHBondContact O-N 2.92Å; F298-L301 PolarHBondContact O-N 2.89Å; L301-S304 PolarHBondContact O-N 2.96Å; L301-S304 PolarHBondContact O-OG 3.28Å; L301-N305 WeakPolarHBondContact O-CB 3.3Å; L301-N305 PolarHBondContact O-N 3.01Å
302N75.5Confident68.4Low104 Ų104100.1 Ų100.156%0.55650%0.499SS*.Hα-helixtrans-67.3-37.1175.7-76.9-8.3000112F298 N305 T306F298-N302 WeakPolarHBondContact O-CB 3.37Å; F298-N302 PolarHBondContact O-N 3.42Å; N302-N305 PolarHBondContact O-N 2.69Å; N302-T306 PolarHBondContact O-N 3.06Å; N302-T306 PolarHBondContact O-OG1 3.17Å
303Q70.6Confident66.8Low137 Ų137100.2 Ų100.264%0.6450%0.504SS*.Hα-helixtrans-66-34.4173.3-76.5179.6-1.500113.5S299 R300 T306 S307S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 3.41Å; R300-Q303 PolarHBondContact O-N 3.48Å; Q303-T306 WeakPolarHBondContact CA-OG1 3.49Å; Q303-T306 PolarHBondContact O-OG1 3Å; Q303-S307 PolarHBondContact O-N 3.36Å; Q303-S307 PolarHBondContact O-OG 2.92Å
304S68.4Low65.2Low49 Ų49108 Ų10834%0.34354%0.536SS..Hα-helixtrans-77.6-28.917667.20000112.7R300 L301 S307 K308R300-S304 PolarHBondContact O-N 3.26Å; R300-S304 PolarHBondContact O-OG 3.08Å; L301-S304 PolarHBondContact O-N 2.96Å; L301-S304 PolarHBondContact O-OG 3.28Å; S304-S307 WeakPolarHBondContact CA-OG 3.27Å; S304-S307 PolarHBondContact O-OG 3.08Å; S304-K308 PolarHBondContact O-N 3.21Å; S304-K308 VanDerWaalsContact O-N 3.08Å
305N59.8Low63.3Low78 Ų78109 Ų10942%0.41755%0.545SS..Hα-helixtrans-71-42.3171.9-76.1-18000111.5L301 N302 S307 K308 F309L301-N305 WeakPolarHBondContact O-CB 3.3Å; L301-N305 PolarHBondContact O-N 3.01Å; N302-N305 PolarHBondContact O-N 2.69Å; N305-S307 VanDerWaalsContact C-N 3.32Å; N305-S307 PolarHBondContact O-N 3.21Å; N305-K308 PolarHBondContact O-N 2.98Å; N305-F309 WeakPolarHBondContact O-CD2 3.44Å; N305-F309 PolarHBondContact O-N 2.95Å
306T58.4Low61.2Low81 Ų81109.3 Ų109.350%0.49754%0.543SS..Hα-helixtrans-63.6-36.7174.543.70000112.3N302 Q303 F309 Q310N302-T306 PolarHBondContact O-N 3.06Å; N302-T306 PolarHBondContact O-OG1 3.17Å; Q303-T306 WeakPolarHBondContact CA-OG1 3.49Å; Q303-T306 PolarHBondContact O-OG1 3Å; T306-F309 PolarHBondContact O-N 3.37Å; T306-Q310 WeakPolarHBondContact O-CG 3.16Å; T306-Q310 PolarHBondContact O-N 3.27Å
307S57.2Low59.1Low62 Ų62116.4 Ų116.443%0.43457%0.571SS.*Hα-helixtrans-68.9-33.5174.266.10000113.1Q303 S304 N305 S311Q303-S307 PolarHBondContact O-N 3.36Å; Q303-S307 PolarHBondContact O-OG 2.92Å; S304-S307 WeakPolarHBondContact CA-OG 3.27Å; S304-S307 PolarHBondContact O-OG 3.08Å; N305-S307 VanDerWaalsContact C-N 3.32Å; N305-S307 PolarHBondContact O-N 3.21Å; S307-S311 PolarHBondContact O-N 3.45Å
308K52.4Low57Low134 Ų134114.5 Ų114.558%0.58357%0.571SS**Hα-helixtrans-66.2-41.1170.3-82.8179.5177.9177.80112.8S304 N305 S311 L312S304-K308 PolarHBondContact O-N 3.21Å; S304-K308 VanDerWaalsContact O-N 3.08Å; N305-K308 PolarHBondContact O-N 2.98Å; K308-S311 WeakPolarHBondContact CA-OG 3.41Å; K308-S311 PolarHBondContact O-N 3.49Å; K308-S311 PolarHBondContact O-OG 2.77Å; K308-L312 PolarHBondContact O-N 2.99Å
309F49.8Very low55.1Low137 Ų137114.5 Ų114.560%0.60158%0.577SS**Hα-helixtrans-62.2-44.5174.6-92-82.9000111.5N305 T306 S311 L312 E313N305-F309 WeakPolarHBondContact O-CD2 3.44Å; N305-F309 PolarHBondContact O-N 2.95Å; T306-F309 PolarHBondContact O-N 3.37Å; F309-S311 VanDerWaalsContact C-N 3.25Å; F309-S311 PolarHBondContact O-N 3.19Å; F309-L312 PolarHBondContact O-N 3.03Å; F309-L312 VanDerWaalsContact O-N 3.08Å; F309-E313 PolarHBondContact O-N 3.07Å
310Q52Low53.4Low124 Ų124118.3 Ų118.358%0.57959%0.593SS**Hα-helixtrans-62.8-29.4174.6-73.2177.6-10.500113.3T306T306-Q310 WeakPolarHBondContact O-CG 3.16Å; T306-Q310 PolarHBondContact O-N 3.27Å
311S49.8Very low51.7Low59 Ų59116.3 Ų116.341%0.41360%0.595SS.*Hα-helixtrans-77.3-28.7173.6670000113.7S307 K308 F309S307-S311 PolarHBondContact O-N 3.45Å; K308-S311 WeakPolarHBondContact CA-OG 3.41Å; K308-S311 PolarHBondContact O-N 3.49Å; K308-S311 PolarHBondContact O-OG 2.77Å; F309-S311 VanDerWaalsContact C-N 3.25Å; F309-S311 PolarHBondContact O-N 3.19Å
312L45Very low50.2Low99 Ų99116.3 Ų116.352%0.51860%0.596SS.*Hα-helixtrans-75.4-38.4176.9-80.7156.6000111.3K308 F309 K314 N315 N316K308-L312 PolarHBondContact O-N 2.99Å; F309-L312 PolarHBondContact O-N 3.03Å; F309-L312 VanDerWaalsContact O-N 3.08Å; L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 2.72Å; L312-N315 PolarHBondContact O-N 3.22Å; L312-N315 VanDerWaalsContact O-N 3.17Å; L312-N316 PolarHBondContact O-N 3.36Å
313E43.9Very low49Very low142 Ų142116.6 Ų116.666%0.66460%0.597SS**Hα-helixtrans-62-34.3173.8-75.2174.8174.800112.3F309 N315F309-E313 PolarHBondContact O-N 3.07Å; E313-N315 VanDerWaalsContact C-N 3.26Å; E313-N315 PolarHBondContact O-N 3.3Å
314K47.1Very low48.1Very low181 Ų181116.2 Ų116.279%0.78760%0.599SS**THydrogen-bonded Turntrans-71.5-16.6176.3-78.1-173.9178.1-176.70114.8L312L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 2.72Å
315N41Very low47.3Very low134 Ų134116.7 Ų116.772%0.71760%0.602SS**THydrogen-bonded Turntrans-104.4-6.4-175.9-74.7-18.4000113.8L312 E313L312-N315 PolarHBondContact O-N 3.22Å; L312-N315 VanDerWaalsContact O-N 3.17Å; E313-N315 VanDerWaalsContact C-N 3.26Å; E313-N315 PolarHBondContact O-N 3.3Å
316N36.7Very low47Very low102 Ų102121.7 Ų121.755%0.54562%0.615SS.*  trans-124.285.4178.4-78.5-18.6000109.1L312 I318L312-N316 PolarHBondContact O-N 3.36Å; N316-I318 HydrophobicContact CB-CD1 3.83Å; N316-I318 HydrophobicContact CB-CG1 3.97Å; N316-I318 PolarHBondContact O-N 3.32Å
317E37.1Very low47.1Very low203 Ų203124.3 Ų124.395%0.94962%0.619SS**  trans-60.792.8153.9-76.5179.5160.200107
318I35.2Very low47.1Very low112 Ų112124.9 Ų124.957%0.57462%0.62SS**  trans-128.6115.5176.1-61.1178.3000108.8N316N316-I318 HydrophobicContact CB-CD1 3.83Å; N316-I318 HydrophobicContact CB-CG1 3.97Å; N316-I318 PolarHBondContact O-N 3.32Å
319D40.2Very low47.2Very low132 Ų132124.9 Ų124.971%0.70662%0.621SS**  trans-17.6125.1171.9-140-14.6000116.6N321 D322D319-N321 PolarHBondContact O-N 2.92Å; D319-D322 PolarHBondContact O-N 2.93Å
320D44.9Very low47.5Very low139 Ų139123.3 Ų123.374%0.74362%0.618SS**THydrogen-bonded Turntrans-58.2-0.1-169.2-78.1-38.6000116.5
321N43.4Very low47.6Very low137 Ų137122.3 Ų122.373%0.73362%0.615SS**THydrogen-bonded Turntrans-89.7-12.9-178.1-78.8-47.3000114.6D319D319-N321 PolarHBondContact O-N 2.92Å
322D46.5Very low47.7Very low96 Ų96125.1 Ų125.151%0.51362%0.621SS.*SBendtrans-85.7-17.8-177.9-107.5-5.5000114D319 I324 S325 R326D319-D322 PolarHBondContact O-N 2.93Å; D322-I324 PolarHBondContact O-N 2.98Å; D322-S325 PolarHBondContact O-N 3.43Å; D322-R326 PolarHBondContact O-N 3.11Å; D322-R326 VanDerWaalsContact O-N 3.07Å
323D49.3Very low48Very low110 Ų110128.3 Ų128.359%0.58863%0.631SS**Hα-helixtrans-69.4-35.7-174-90.3-10.6000113.5S325 R326 F327D323-S325 VanDerWaalsContact C-N 3.32Å; D323-S325 PolarHBondContact O-N 2.71Å; D323-R326 PolarHBondContact O-N 3.05Å; D323-F327 WeakPolarHBondContact O-CB 3.44Å; D323-F327 PolarHBondContact O-N 3.23Å
324I52.8Low48.1Very low130 Ų130127.2 Ų127.267%0.66763%0.629SS**Hα-helixtrans-66.6-38.5177.2-61.9177000110.2D322 T328D322-I324 PolarHBondContact O-N 2.98Å; I324-T328 WeakPolarHBondContact O-CB 3.49Å; I324-T328 PolarHBondContact O-N 3.11Å; I324-T328 VanDerWaalsContact O-N 3.1Å; I324-T328 PolarHBondContact O-OG1 3.09Å
325S51.4Low48.1Very low59 Ų59122.4 Ų122.441%0.41362%0.618SS.*Hα-helixtrans-68.4-39.5178.1-169.90000112D322 D323 K329D322-S325 PolarHBondContact O-N 3.43Å; D323-S325 VanDerWaalsContact C-N 3.32Å; D323-S325 PolarHBondContact O-N 2.71Å; S325-K329 PolarHBondContact O-N 2.88Å; S325-K329 VanDerWaalsContact O-N 3.12Å
326R53Low48.1Very low182 Ų182123.9 Ų123.969%0.68762%0.618SS**Hα-helixtrans-68.6-42.7175.7-88.8-176.6175.5-177.52113.1D322 D323 T328 K329 L330D322-R326 PolarHBondContact O-N 3.11Å; D322-R326 VanDerWaalsContact O-N 3.07Å; D323-R326 PolarHBondContact O-N 3.05Å; R326-T328 VanDerWaalsContact C-N 3.3Å; R326-T328 PolarHBondContact O-N 3.08Å; R326-K329 PolarHBondContact O-N 3.23Å; R326-L330 WeakPolarHBondContact O-CB 3.49Å; R326-L330 PolarHBondContact O-N 3.32Å
327F59.9Low48.3Very low136 Ų136126.5 Ų126.560%0.59663%0.632SS**Hα-helixtrans-63.9-39.8178.4-166.5-93.7000111.3D323 L330 M331D323-F327 WeakPolarHBondContact O-CB 3.44Å; D323-F327 PolarHBondContact O-N 3.23Å; F327-L330 PolarHBondContact O-N 3.35Å; F327-M331 HydrophobicContact CD1-CG 3.95Å; F327-M331 HydrophobicContact CE1-CG 3.62Å; F327-M331 HydrophobicContact CE1-SD 4.24Å; F327-M331 HydrophobicContact CZ-CG 4.12Å; F327-M331 HydrophobicContact CZ-SD 4.23Å; F327-M331 WeakPolarHBondContact O-CG 3.33Å; F327-M331 PolarHBondContact O-N 2.84Å
328T56.6Low48.3Very low74 Ų74121.2 Ų121.245%0.45462%0.618SS.*Hα-helixtrans-63-43.9176.1-50.40000111.4I324 R326 L330 M331 E332I324-T328 WeakPolarHBondContact O-CB 3.49Å; I324-T328 PolarHBondContact O-N 3.11Å; I324-T328 VanDerWaalsContact O-N 3.1Å; I324-T328 PolarHBondContact O-OG1 3.09Å; R326-T328 VanDerWaalsContact C-N 3.3Å; R326-T328 PolarHBondContact O-N 3.08Å; T328-L330 PolarHBondContact O-N 3.49Å; T328-M331 PolarHBondContact O-N 2.92Å; T328-E332 PolarHBondContact O-N 3.42Å
329K54.5Low48.3Very low135 Ų135126.4 Ų126.459%0.58763%0.63SS**Hα-helixtrans-66-34.3175-79.4178.3179172.60113.8S325 R326 K333S325-K329 PolarHBondContact O-N 2.88Å; S325-K329 VanDerWaalsContact O-N 3.12Å; R326-K329 PolarHBondContact O-N 3.23Å; K329-K333 PolarHBondContact O-N 2.83Å
330L57.5Low47.8Very low104 Ų104128.8 Ų128.855%0.54564%0.637SS.*Hα-helixtrans-70.2-40.9178.2-158.1103000110.8R326 F327 T328 K333 L334R326-L330 WeakPolarHBondContact O-CB 3.49Å; R326-L330 PolarHBondContact O-N 3.32Å; F327-L330 PolarHBondContact O-N 3.35Å; T328-L330 PolarHBondContact O-N 3.49Å; L330-K333 PolarHBondContact O-N 3.36Å; L330-L334 HydrophobicContact CD2-CD1 4.1Å; L330-L334 HydrophobicContact CG-CD1 4.47Å; L330-L334 WeakPolarHBondContact O-CG 3.21Å; L330-L334 PolarHBondContact O-N 3.13Å
331M53.8Low47.5Very low103 Ų103130 Ų13051%0.50764%0.643SS.*Hα-helixtrans-68.4-36.4175.3-69.4-65-76.600112F327 T328 L334 S335F327-M331 HydrophobicContact CD1-CG 3.95Å; F327-M331 HydrophobicContact CE1-CG 3.62Å; F327-M331 HydrophobicContact CE1-SD 4.24Å; F327-M331 HydrophobicContact CZ-CG 4.12Å; F327-M331 HydrophobicContact CZ-SD 4.23Å; F327-M331 WeakPolarHBondContact O-CG 3.33Å; F327-M331 PolarHBondContact O-N 2.84Å; T328-M331 PolarHBondContact O-N 2.92Å; M331-L334 PolarHBondContact O-N 3.11Å; M331-S335 WeakPolarHBondContact O-CB 3.18Å; M331-S335 PolarHBondContact O-N 3.04Å
332E50.8Low46.8Very low118 Ų118131.5 Ų131.555%0.55165%0.651SS**Hα-helixtrans-61.9-44171.3-81.6-179.2159.100111.8T328 L334 S335 F336T328-E332 PolarHBondContact O-N 3.42Å; E332-L334 PolarHBondContact O-N 3.13Å; E332-S335 PolarHBondContact O-N 3.02Å; E332-F336 WeakPolarHBondContact O-CD2 3.2Å; E332-F336 PolarHBondContact O-N 2.98Å
333K51.7Low46.2Very low166 Ų166138.9 Ų138.972%0.72269%0.69SS**Hα-helixtrans-61.8-43.6175.5-94.7-174.1172.6-173.80112.9K329 L330 S335 F336K329-K333 PolarHBondContact O-N 2.83Å; L330-K333 PolarHBondContact O-N 3.36Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.44Å; K333-F336 PolarHBondContact O-N 2.99Å
334L45.8Very low46Very low118 Ų118140.4 Ų140.462%0.61870%0.695SS**Hα-helixtrans-70.1-24.6179.3-69.7168.5000112.7L330 M331 E332L330-L334 HydrophobicContact CD2-CD1 4.1Å; L330-L334 HydrophobicContact CG-CD1 4.47Å; L330-L334 WeakPolarHBondContact O-CG 3.21Å; L330-L334 PolarHBondContact O-N 3.13Å; M331-L334 PolarHBondContact O-N 3.11Å; E332-L334 PolarHBondContact O-N 3.13Å
335S47.7Very low45.7Very low81 Ų81140.9 Ų140.957%0.56670%0.696SS**Hα-helixtrans-75.8-28.4175.9176.50000113.2M331 E332 K333M331-S335 WeakPolarHBondContact O-CB 3.18Å; M331-S335 PolarHBondContact O-N 3.04Å; E332-S335 PolarHBondContact O-N 3.02Å; K333-S335 VanDerWaalsContact C-N 3.26Å; K333-S335 PolarHBondContact O-N 3.44Å
336F41.3Very low45.4Very low165 Ų165145.4 Ų145.472%0.72471%0.712SS**Hα-helixtrans-86.9-23.7-174.5-93.7-86.3000114.1E332 K333 S338E332-F336 WeakPolarHBondContact O-CD2 3.2Å; E332-F336 PolarHBondContact O-N 2.98Å; K333-F336 PolarHBondContact O-N 2.99Å; F336-S338 PolarHBondContact O-N 3.16Å
337D40.1Very low44.9Very low156 Ų156143.3 Ų143.383%0.83471%0.714SS**THydrogen-bonded Turntrans-76.413.3-179-90-8.7000115.1
338S37.5Very low44Very low92 Ų92143.8 Ų143.864%0.64372%0.721SS**THydrogen-bonded Turntrans-117.29.3178.365.10000115.3F336F336-S338 PolarHBondContact O-N 3.16Å
339R34.9Very low43.1Very low221 Ų221148.4 Ų148.483%0.83474%0.739SS**SBendtrans-142.547.2179.7-65.8-167.5-173.8-175.93.5115
340E31Very low42.3Very low182 Ų182149.4 Ų149.485%0.8575%0.75SS**  trans-141.684.9160.2-74.7-168.6163.900108.9
341D38.2Very low41.1Very low164 Ų164152.8 Ų152.888%0.87777%0.765SS**  trans-16766.1156.6-88.1-24.9000106.9
342N28.2Very low40.1Very low169 Ų169157 Ų15790%0.90479%0.787SS**  trans-154.785.8165.6-92-37.6000107.3
343L33.7Very low39.1Very low252 Ų252160.5 Ų160.5100%1.31981%0.808SS**  trans-143.40155.4-100.1165.3000108.8

Retrieved 343 of 343 residues in 134.9 ms (Link to these results)

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