A0A087YDT9_POEFO Loading...

diphosphoinositol-polyphosphate diphosphatase

AlphaFold DB , UniProt , Accession A0A087YDT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.7Very low64.4Low203 Ų203101.1 Ų101.1100%154%0.542SS*.  0122.60-157.275.7136.700107.6
2M52.9Low66.9Low135 Ų135103.4 Ų103.467%0.66554%0.539SS*.  trans-73.6137.9172.4-74.6-173.4172.900109.1C4M2-C4 PolarHBondContact O-N 3.48Å
3K53.6Low68.8Low46 Ų4698.1 Ų98.120%0.251%0.511CS..  trans-64.2101.7174.7-175.7173.2176.11720109.5K5 E70 D111 I115K3-K5 HydrophobicContact CG-CG 4.26Å; K3-E70 IonicContact NZ-OE1 3.11Å; K3-E70 PolarHBondContact NZ-OE1 3.27Å; K3-D111 WeakPolarHBondContact CE-OD1 3.39Å; K3-D111 IonicContact NZ-OD1 3.33Å; K3-D111 PolarHBondContact NZ-OD1 2.79Å; K3-D111 IonicContact NZ-OD2 2.68Å; K3-D111 PolarHBondContact NZ-OD2 2.8Å; K3-I115 HydrophobicContact CB-CD1 4.21Å; K3-I115 HydrophobicContact CD-CD1 4.23Å
4C49Very low70.4Confident116 Ų11697.3 Ų97.378%0.78454%0.539SS*.  trans-100.692.7169.3-71.30000108.3M2 A6M2-C4 PolarHBondContact O-N 3.48Å; C4-A6 PolarHBondContact O-N 2.8Å; C4-A6 VanDerWaalsContact O-N 3.13Å
5K60.3Low71.9Confident50 Ų5097.5 Ų97.522%0.21754%0.538CS..  trans-74.297.5169-79175.8156173.10108K3 N7 Q8 E66 E69K3-K5 HydrophobicContact CG-CG 4.26Å; K5-N7 PolarHBondContact O-N 3.2Å; K5-N7 VanDerWaalsContact O-N 3.16Å; K5-Q8 HydrophobicContact CB-CB 3.88Å; K5-Q8 HydrophobicContact CD-CB 4.26Å; K5-Q8 VanDerWaalsContact CD-OE1 3.23Å; K5-Q8 PolarHBondContact O-N 3.4Å; K5-E66 IonicContact NZ-OE1 3.87Å; K5-E66 PolarHBondContact NZ-OE1 2.81Å; K5-E66 IonicContact NZ-OE2 2.97Å; K5-E66 PolarHBondContact NZ-OE2 2.83Å; K5-E69 WeakPolarHBondContact CE-OE2 3.33Å; K5-E69 IonicContact NZ-OE2 2.78Å; K5-E69 PolarHBondContact NZ-OE2 3.35Å
6A50.4Low73.2Confident99 Ų9993.9 Ų93.982%0.81853%0.531SS*.THydrogen-bonded Turntrans-61-22.6-17300000114.2C4C4-A6 PolarHBondContact O-N 2.8Å; C4-A6 VanDerWaalsContact O-N 3.13Å
7N59.4Low74.4Confident156 Ų15689.4 Ų89.483%0.83450%0.504SS*.THydrogen-bonded Turntrans-112.84.6-174.1-68.8-5.3000114.8K5 T9K5-N7 PolarHBondContact O-N 3.2Å; K5-N7 VanDerWaalsContact O-N 3.16Å; N7-T9 PolarHBondContact O-N 3.42Å
8Q70Confident75.6Confident41 Ų4186.4 Ų86.419%0.19249%0.485CS..  trans-91.4100.1-175.8-164.2174.749.700111.6K5 R10 G52 E54 E66K5-Q8 HydrophobicContact CB-CB 3.88Å; K5-Q8 HydrophobicContact CD-CB 4.26Å; K5-Q8 VanDerWaalsContact CD-OE1 3.23Å; K5-Q8 PolarHBondContact O-N 3.4Å; Q8-R10 PolarHBondContact O-N 3.19Å; Q8-G52 PolarHBondContact NE2-O 3.14Å; Q8-E54 HydrophobicContact CG-CG 3.94Å; Q8-E54 PolarHBondContact NE2-OE1 3.28Å; Q8-E66 PolarHBondContact NE2-OE1 3.3Å
9T85Confident76.7Confident86 Ų8685.2 Ų85.253%0.52847%0.472SS..PPolyproline II helixtrans-66.8125.7174-61.40000110.4N7 P55N7-T9 PolarHBondContact O-N 3.42Å; T9-P55 HydrophobicContact CG2-CG 3.81Å
10R88.8Confident77.7Confident163 Ų16383.5 Ų83.562%0.61546%0.458SS*.PPolyproline II helixtrans-79.2131.1178.3-61.5178.4-178.2172.24.5110.1Q8 Y12Q8-R10 PolarHBondContact O-N 3.19Å; R10-Y12 HydrophobicContact CB-CE2 3.83Å
11T93.3Very high78.7Confident17 Ų1779.5 Ų79.510%0.10444%0.436CS..PPolyproline II helixtrans-103.4150.2173.557.90000112K18 R19 M53 E54 P55T11-K18 WeakPolarHBondContact O-CA 3.49Å; T11-R19 PolarHBondContact O-N 2.72Å; T11-M53 WeakPolarHBondContact CG2-O 3.41Å; T11-M53 PolarHBondContact OG1-O 2.83Å; T11-E54 VanDerWaalsContact CG2-C 3.48Å; T11-P55 HydrophobicContact CG2-CB 4.44Å; T11-P55 HydrophobicContact CG2-CG 4.04Å
12Y94.1Very high81.2Confident129 Ų12970 Ų7051%0.50639%0.39SS..BIsolated β-bridgetrans-132.5151.1-179.5-60.4-97.4000109.5R10 F17 K18R10-Y12 HydrophobicContact CB-CE2 3.83Å; Y12-F17 CarbonylContact C-O 3.32Å; Y12-F17 WeakPolarHBondContact CA-O 3.25Å; Y12-K18 HydrophobicContact CD1-CB 4.01Å; Y12-K18 HydrophobicContact CE1-CB 3.84Å; Y12-K18 HydrophobicContact CE1-CG 4.35Å
13D92.4Very high83.4Confident34 Ų3463.6 Ų63.618%0.18236%0.358CS..  trans-91.617917163.327.8000112.4D15 G16 F17 R19 R94D13-D15 PolarHBondContact O-N 3Å; D13-D15 PolarHBondContact OD1-N 2.71Å; D13-D15 VanDerWaalsContact OD1-N 3.09Å; D13-G16 PolarHBondContact O-N 2.87Å; D13-G16 PolarHBondContact OD1-N 3.43Å; D13-F17 PolarHBondContact N-O 3.21Å; D13-F17 WeakPolarHBondContact OD1-CB 3.06Å; D13-F17 PolarHBondContact OD1-N 2.77Å; D13-F17 WeakPolarHBondContact OD2-CB 3.4Å; D13-R19 HydrophobicContact CB-CG 4.27Å; D13-R94 IonicContact OD1-NH1 2.76Å; D13-R94 WeakPolarHBondContact OD2-CD 3.29Å; D13-R94 IonicContact OD2-CZ 3.65Å; D13-R94 IonicContact OD2-NE 3.03Å; D13-R94 IonicContact OD2-NH1 3.61Å; D13-R94 PolarHBondContact OD2-NH1 3.46Å
14G91.1Very high85.5Confident87 Ų8761.4 Ų61.490%0.89735%0.349SS*.THydrogen-bonded Turntrans-62.2-21.3-17800000114.5G16G14-G16 VanDerWaalsContact C-N 3.3Å
15D92.3Very high87.9Confident100 Ų10055.9 Ų55.954%0.53531%0.311SS..THydrogen-bonded Turntrans-89.80178.1-56.6-38.2000112.1D13 F17 R94D13-D15 PolarHBondContact O-N 3Å; D13-D15 PolarHBondContact OD1-N 2.71Å; D13-D15 VanDerWaalsContact OD1-N 3.09Å; D15-F17 HydrophobicContact CB-CD2 3.66Å; D15-F17 HydrophobicContact CB-CE2 3.93Å; D15-R94 IonicContact OD2-CZ 3.84Å; D15-R94 IonicContact OD2-NH1 3.47Å; D15-R94 PolarHBondContact OD2-NH1 3.08Å; D15-R94 IonicContact OD2-NH2 3.68Å; D15-R94 PolarHBondContact OD2-NH2 3.42Å; D15-R94 VanDerWaalsContact OD2-NH2 3.11Å
16G92.4Very high89.7Confident40 Ų4053.5 Ų53.541%0.41230%0.301SS..SBendtrans79.315.3-177.500000114.2D13 G14D13-G16 PolarHBondContact O-N 2.87Å; D13-G16 PolarHBondContact OD1-N 3.43Å; G14-G16 VanDerWaalsContact C-N 3.3Å
17F94.4Very high92Very high18 Ų1854.5 Ų54.58%0.07928%0.283CS..PPolyproline II helixtrans-80.5132.3173.5-71.4-112.6000109.9Y12 D13 D15 R19 E85 H87 K92 R94Y12-F17 CarbonylContact C-O 3.32Å; Y12-F17 WeakPolarHBondContact CA-O 3.25Å; D13-F17 PolarHBondContact N-O 3.21Å; D13-F17 WeakPolarHBondContact OD1-CB 3.06Å; D13-F17 PolarHBondContact OD1-N 2.77Å; D13-F17 WeakPolarHBondContact OD2-CB 3.4Å; D15-F17 HydrophobicContact CB-CD2 3.66Å; D15-F17 HydrophobicContact CB-CE2 3.93Å; F17-R19 PolarHBondContact O-N 3.35Å; F17-E85 HydrophobicContact CE1-CB 4.31Å; F17-E85 HydrophobicContact CE1-CG 4.49Å; F17-H87 HydrophobicContact CE1-CB 4.48Å; F17-K92 HydrophobicContact CB-CB 4.27Å; F17-K92 HydrophobicContact CD1-CB 3.69Å; F17-K92 HydrophobicContact CD1-CG 4.45Å; F17-K92 HydrophobicContact CD2-CB 4.29Å; F17-K92 HydrophobicContact CD2-CD 4.22Å; F17-K92 HydrophobicContact CE1-CB 4.05Å; F17-K92 HydrophobicContact CE1-CG 4.35Å; F17-K92 HydrophobicContact CE2-CD 4.11Å; F17-K92 HydrophobicContact CG-CB 3.81Å; F17-K92 HydrophobicContact CZ-CD 4.36Å; F17-K92 HydrophobicContact CZ-CG 4.46Å; F17-R94 HydrophobicContact CB-CB 3.87Å; F17-R94 HydrophobicContact CD1-CB 4.24Å; F17-R94 HydrophobicContact CG-CB 4.34Å
18K95.1Very high93.7Very high36 Ų3649.5 Ų49.516%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-65.3126.2169.5-175.1-173.1174.6-177.20108.7T11 Y12 K92 H93 R94T11-K18 WeakPolarHBondContact O-CA 3.49Å; Y12-K18 HydrophobicContact CD1-CB 4.01Å; Y12-K18 HydrophobicContact CE1-CB 3.84Å; Y12-K18 HydrophobicContact CE1-CG 4.35Å; K18-K92 PolarHBondContact N-O 3.37Å; K18-H93 WeakPolarHBondContact O-CA 3.13Å; K18-R94 PolarHBondContact O-N 3.23Å
19R96.9Very high94.9Very high63 Ų6355.1 Ų55.124%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-78131.9178.5-59.5174.166-154.71.4110.2T11 D13 F17 M53T11-R19 PolarHBondContact O-N 2.72Å; D13-R19 HydrophobicContact CB-CG 4.27Å; F17-R19 PolarHBondContact O-N 3.35Å; R19-M53 HydrophobicContact CB-CB 4.18Å; R19-M53 HydrophobicContact CB-CG 4.28Å; R19-M53 HydrophobicContact CB-SD 3.89Å; R19-M53 PolarHBondContact O-N 3.15Å
20R97.7Very high95.3Very high50 Ų5058.9 Ų58.919%0.18929%0.292CS..EExtended strand (participates in β ladder)trans-137.6155.9-177.1-67.4-165.469.9-179.1-2.7111.3G50 G51 R94 T95 Y96R20-G50 PolarHBondContact NH2-O 3.41Å; R20-G51 WeakPolarHBondContact CA-O 3.24Å; R20-G51 WeakPolarHBondContact CB-O 3.41Å; R20-G51 WeakPolarHBondContact CG-O 3.37Å; R20-G51 PolarHBondContact NE-O 3.25Å; R20-R94 PolarHBondContact N-O 3.32Å; R20-T95 HydrophobicContact CB-CG2 3.97Å; R20-T95 CarbonylContact O-C 3.58Å; R20-T95 VanDerWaalsContact O-CA 3.32Å; R20-T95 WeakPolarHBondContact O-CA 2.92Å; R20-Y96 WeakPolarHBondContact O-CD2 3.13Å; R20-Y96 PolarHBondContact O-N 2.74Å
21A98.1Very high95.6Very high0 Ų052.4 Ų52.40%027%0.269CS..EExtended strand (participates in β ladder)trans-135.3147.4172.500000110.5G50 G51 M53 P59 A62 A63 Y96A21-G50 CarbonylContact O-C 3.45Å; A21-G50 WeakPolarHBondContact O-CA 3.41Å; A21-G51 PolarHBondContact N-O 3.2Å; A21-G51 VanDerWaalsContact N-O 3.12Å; A21-G51 PolarHBondContact O-N 3.39Å; A21-M53 HydrophobicContact CB-CG 4.16Å; A21-P59 WeakPolarHBondContact CB-O 3.43Å; A21-A62 HydrophobicContact CB-CB 3.6Å; A21-A63 HydrophobicContact CB-CB 3.93Å; A21-Y96 CarbonylContact C-O 3.58Å; A21-Y96 WeakPolarHBondContact CA-O 3.28Å
22A98.5Very high95.7Very high4 Ų454.8 Ų54.83%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-148.7158.5-179.600000110.6V48 P49 T95 Y96 V97 Y98A22-V48 HydrophobicContact CB-CG1 4.36Å; A22-P49 WeakPolarHBondContact CA-O 3.28Å; A22-P49 WeakPolarHBondContact CB-O 3.36Å; A22-T95 HydrophobicContact CB-CG2 3.96Å; A22-Y96 PolarHBondContact N-O 2.92Å; A22-V97 HydrophobicContact CB-CG2 4.44Å; A22-V97 WeakPolarHBondContact O-CA 3.32Å; A22-Y98 PolarHBondContact O-N 3.12Å
23C98.4Very high95.9Very high0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-123.7142168.4-59.30000111.6C25 V48 P49 A63 V67 Y98 L100C23-C25 PolarHBondContact O-N 3.49Å; C23-V48 VanDerWaalsContact O-CG1 3.24Å; C23-V48 WeakPolarHBondContact O-CG1 3.3Å; C23-P49 PolarHBondContact N-O 3.16Å; C23-A63 WeakPolarHBondContact SG-CB 3.19Å; C23-V67 HydrophobicContact CB-CG1 3.61Å; C23-Y98 CarbonylContact C-O 3.51Å; C23-Y98 WeakPolarHBondContact CA-O 3.11Å; C23-L100 HydrophobicContact CB-CB 3.93Å
24L98.5Very high96.2Very high0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-78.6101153.9-57.8-172.9000107.1L26 V34 V48 L81 V97 Y98 L100 L142 L145L24-L26 HydrophobicContact CB-CD2 4.43Å; L24-L26 PolarHBondContact O-N 3.46Å; L24-V34 HydrophobicContact CB-CG2 4.3Å; L24-V48 HydrophobicContact CD2-CG1 3.79Å; L24-V48 HydrophobicContact CD2-CG2 3.84Å; L24-L81 HydrophobicContact CB-CD1 4.45Å; L24-L81 HydrophobicContact CD1-CD1 3.37Å; L24-L81 HydrophobicContact CG-CD1 3.9Å; L24-V97 HydrophobicContact CG-CG1 4.16Å; L24-Y98 PolarHBondContact N-O 3.13Å; L24-L100 PolarHBondContact O-N 2.89Å; L24-L142 HydrophobicContact CD1-CD2 3.97Å; L24-L142 HydrophobicContact CD1-CG 4.45Å; L24-L142 HydrophobicContact CD2-CD2 4.09Å; L24-L142 HydrophobicContact CD2-CG 4.3Å; L24-L145 HydrophobicContact CD1-CB 3.92Å; L24-L145 HydrophobicContact CD1-CD1 4.23Å; L24-L145 HydrophobicContact CD1-CD2 3.99Å; L24-L145 HydrophobicContact CD1-CG 4.29Å
25C98.6Very high96.6Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-78.6100.9177.6-68.10000109.2C23 V34 L35 V73 L100 V102 W121C23-C25 PolarHBondContact O-N 3.49Å; C25-V34 CarbonylContact O-C 3.56Å; C25-V34 WeakPolarHBondContact O-CA 3.44Å; C25-L35 HydrophobicContact CB-CB 3.9Å; C25-L35 PolarHBondContact O-N 3.43Å; C25-V73 HydrophobicContact CB-CG2 4.47Å; C25-L100 CarbonylContact C-O 3.56Å; C25-L100 WeakPolarHBondContact CA-O 3.44Å; C25-V102 HydrophobicContact CB-CG2 3.79Å; C25-W121 VanDerWaalsContact O-CZ3 3.32Å; C25-W121 WeakPolarHBondContact O-CZ3 3.07Å
26L98.5Very high96.9Very high0 Ų040.3 Ų40.30%019%0.19CC..EExtended strand (participates in β ladder)trans-95145.1-174.3-57.6168.3000110.5L24 E31 E33 V34 A99 L100 I101 V102 L145L24-L26 HydrophobicContact CB-CD2 4.43Å; L24-L26 PolarHBondContact O-N 3.46Å; L26-E31 HydrophobicContact CD1-CB 3.84Å; L26-E31 HydrophobicContact CD1-CG 3.68Å; L26-E31 HydrophobicContact CD2-CB 4.31Å; L26-E33 WeakPolarHBondContact CA-O 3.49Å; L26-V34 HydrophobicContact CD2-CB 4.24Å; L26-V34 HydrophobicContact CD2-CG2 4.38Å; L26-A99 HydrophobicContact CD1-CB 4.1Å; L26-L100 PolarHBondContact N-O 3.16Å; L26-I101 HydrophobicContact CB-CD1 3.91Å; L26-I101 HydrophobicContact CD1-CD1 4.12Å; L26-V102 PolarHBondContact O-N 2.84Å; L26-L145 HydrophobicContact CD1-CD1 4.18Å; L26-L145 HydrophobicContact CD1-CD2 4.44Å; L26-L145 HydrophobicContact CD2-CD2 3.72Å
27R97.9Very high97.2Very high120 Ų12038.4 Ų38.445%0.45317%0.171SC..SBendtrans-71.1-34.3-176.4-163.4172.7-147.7-175.85.5112.9E33 W121R27-E33 HydrophobicContact CB-CB 3.98Å; R27-E33 WeakPolarHBondContact CD-OE2 3.03Å; R27-E33 IonicContact CZ-OE2 3.59Å; R27-E33 PolarHBondContact N-O 3.02Å; R27-E33 IonicContact NE-OE2 3.67Å; R27-E33 IonicContact NH1-OE1 3.41Å; R27-E33 PolarHBondContact NH1-OE1 2.99Å; R27-E33 IonicContact NH1-OE2 2.74Å; R27-E33 PolarHBondContact NH1-OE2 3.06Å; R27-W121 HydrophobicContact CB-CE3 4Å; R27-W121 HydrophobicContact CB-CH2 3.85Å; R27-W121 HydrophobicContact CB-CZ2 4.47Å; R27-W121 HydrophobicContact CB-CZ3 3.58Å; R27-W121 HydrophobicContact CG-CE3 4.45Å; R27-W121 HydrophobicContact CG-CH2 4.17Å; R27-W121 HydrophobicContact CG-CZ2 4.32Å; R27-W121 HydrophobicContact CG-CZ3 4.24Å; R27-W121 VanDerWaalsContact N-CZ3 3.33Å
28N96.3Very high97.3Very high51 Ų5137.7 Ų37.727%0.27317%0.168SC..SBendtrans-161.6176.9-175.86572.2000109.8K30 E31 D32N28-K30 PolarHBondContact O-N 3.04Å; N28-K30 WeakPolarHBondContact OD1-CA 3.48Å; N28-K30 WeakPolarHBondContact OD1-CB 3.47Å; N28-K30 VanDerWaalsContact OD1-CG 3.25Å; N28-K30 WeakPolarHBondContact OD1-CG 3.32Å; N28-K30 PolarHBondContact OD1-N 3.37Å; N28-E31 PolarHBondContact O-N 2.76Å; N28-E31 VanDerWaalsContact O-N 3.15Å; N28-D32 PolarHBondContact ND2-OD1 3.16Å
29E94.1Very high97.3Very high159 Ų15936.4 Ų36.474%0.74316%0.163SC*.THydrogen-bonded Turntrans-68.5-9.2-177.2-61.2-170.2161.400115.1E31E29-E31 WeakPolarHBondContact O-CG 3.42Å; E29-E31 PolarHBondContact O-N 2.95Å
30K94.6Very high97.1Very high165 Ų16535.2 Ų35.272%0.71717%0.165SC*.THydrogen-bonded Turntrans-74-16.4171.8-57.2178.2176.7-179.10112.6N28 D32N28-K30 PolarHBondContact O-N 3.04Å; N28-K30 WeakPolarHBondContact OD1-CA 3.48Å; N28-K30 WeakPolarHBondContact OD1-CB 3.47Å; N28-K30 VanDerWaalsContact OD1-CG 3.25Å; N28-K30 WeakPolarHBondContact OD1-CG 3.32Å; N28-K30 PolarHBondContact OD1-N 3.37Å; K30-D32 PolarHBondContact O-N 3.22Å
31E95.1Very high96.8Very high27 Ų2739 Ų3913%0.12618%0.179CC..  trans57.231.6176.9-41.7-161.4148.900113.5L26 N28 E29 R79 V124 L145 C149L26-E31 HydrophobicContact CD1-CB 3.84Å; L26-E31 HydrophobicContact CD1-CG 3.68Å; L26-E31 HydrophobicContact CD2-CB 4.31Å; N28-E31 PolarHBondContact O-N 2.76Å; N28-E31 VanDerWaalsContact O-N 3.15Å; E29-E31 WeakPolarHBondContact O-CG 3.42Å; E29-E31 PolarHBondContact O-N 2.95Å; E31-R79 IonicContact OE1-CZ 3.65Å; E31-R79 IonicContact OE1-NH1 2.72Å; E31-R79 PolarHBondContact OE1-NH1 3.01Å; E31-R79 IonicContact OE1-NH2 3.64Å; E31-R79 IonicContact OE2-CZ 3.54Å; E31-R79 IonicContact OE2-NH1 3.37Å; E31-R79 PolarHBondContact OE2-NH1 2.99Å; E31-R79 IonicContact OE2-NH2 2.77Å; E31-R79 PolarHBondContact OE2-NH2 3.34Å; E31-V124 VanDerWaalsContact O-CG2 3.28Å; E31-V124 WeakPolarHBondContact O-CG2 3.37Å; E31-L145 HydrophobicContact CB-CD2 4.34Å; E31-L145 VanDerWaalsContact OE2-CD1 3.24Å; E31-L145 WeakPolarHBondContact OE2-CD1 3.38Å; E31-C149 PolarHBondContact OE2-SG 3.39Å; E31-C149 VanDerWaalsContact OE2-SG 3.35Å
32D95.6Very high96.5Very high68 Ų6843.3 Ų43.336%0.36420%0.199SC..  trans-92-26-175.759.7-12.2000114N28 K30 K123 V124N28-D32 PolarHBondContact ND2-OD1 3.16Å; K30-D32 PolarHBondContact O-N 3.22Å; D32-K123 CarbonylContact O-C 3.6Å; D32-K123 WeakPolarHBondContact O-CA 3.36Å; D32-V124 PolarHBondContact O-N 3.44Å
33E98.1Very high96.2Very high43 Ų4347.3 Ų47.320%0.20123%0.225CC..EExtended strand (participates in β ladder)trans-123.2134.4177.3-65-175.8108.400111.7L26 R27 W121 F122L26-E33 WeakPolarHBondContact CA-O 3.49Å; R27-E33 HydrophobicContact CB-CB 3.98Å; R27-E33 WeakPolarHBondContact CD-OE2 3.03Å; R27-E33 IonicContact CZ-OE2 3.59Å; R27-E33 PolarHBondContact N-O 3.02Å; R27-E33 IonicContact NE-OE2 3.67Å; R27-E33 IonicContact NH1-OE1 3.41Å; R27-E33 PolarHBondContact NH1-OE1 2.99Å; R27-E33 IonicContact NH1-OE2 2.74Å; R27-E33 PolarHBondContact NH1-OE2 3.06Å; E33-W121 HydrophobicContact CB-CE3 4.24Å; E33-F122 CarbonylContact C-O 3.49Å; E33-F122 VanDerWaalsContact CA-O 3.22Å; E33-F122 WeakPolarHBondContact CA-O 3.42Å
34V98.6Very high95.9Very high0 Ų053.2 Ų53.20%026%0.256CS..EExtended strand (participates in β ladder)trans-122.2142.4178.5670000111.1L24 C25 L26 L36 W121 F122 A127 L142L24-V34 HydrophobicContact CB-CG2 4.3Å; C25-V34 CarbonylContact O-C 3.56Å; C25-V34 WeakPolarHBondContact O-CA 3.44Å; L26-V34 HydrophobicContact CD2-CB 4.24Å; L26-V34 HydrophobicContact CD2-CG2 4.38Å; V34-L36 HydrophobicContact CG1-CD2 4.38Å; V34-W121 VanDerWaalsContact C-CE3 3.48Å; V34-F122 PolarHBondContact N-O 3.46Å; V34-F122 PolarHBondContact O-N 2.92Å; V34-A127 HydrophobicContact CG1-CB 3.46Å; V34-A127 VanDerWaalsContact CG1-CB 3.46Å; V34-L142 HydrophobicContact CB-CD2 4.17Å; V34-L142 HydrophobicContact CG1-CD1 4.48Å; V34-L142 HydrophobicContact CG1-CD2 3.85Å; V34-L142 HydrophobicContact CG2-CD2 4.19Å
35L98.6Very high95.8Very high2 Ų254.6 Ų54.61%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-88.7120175-171.971.7000110C25 A71 V73 R119 W121C25-L35 HydrophobicContact CB-CB 3.9Å; C25-L35 PolarHBondContact O-N 3.43Å; L35-A71 HydrophobicContact CD2-CB 4.07Å; L35-V73 HydrophobicContact CD2-CG1 3.51Å; L35-V73 HydrophobicContact CD2-CG2 4.4Å; L35-R119 HydrophobicContact CD1-CB 4.07Å; L35-R119 HydrophobicContact CD1-CG 4.19Å; L35-R119 HydrophobicContact CG-CB 4.37Å; L35-W121 HydrophobicContact CB-CD2 4.17Å; L35-W121 HydrophobicContact CB-CE3 3.86Å; L35-W121 HydrophobicContact CB-CH2 3.91Å; L35-W121 HydrophobicContact CB-CZ2 4.21Å; L35-W121 HydrophobicContact CB-CZ3 3.72Å; L35-W121 HydrophobicContact CD1-CD2 3.89Å; L35-W121 HydrophobicContact CD1-CE3 4.43Å; L35-W121 HydrophobicContact CD1-CG 4.07Å; L35-W121 HydrophobicContact CD1-CZ2 4.31Å
36L98.6Very high95.8Very high0 Ų057.2 Ų57.20%027%0.273CS..EExtended strand (participates in β ladder)trans-105.9158.4170.6-57.8-175.9000110.4V34 W46 V48 R119 K120 F122 A127 V130 L131V34-L36 HydrophobicContact CG1-CD2 4.38Å; L36-W46 HydrophobicContact CB-CB 4.17Å; L36-W46 HydrophobicContact CB-CE3 4.12Å; L36-W46 HydrophobicContact CD1-CB 3.9Å; L36-V48 HydrophobicContact CD2-CG2 3.93Å; L36-R119 CarbonylContact O-C 3.08Å; L36-R119 VanDerWaalsContact O-CA 3.24Å; L36-R119 WeakPolarHBondContact O-CA 3.27Å; L36-K120 PolarHBondContact N-O 3.4Å; L36-K120 PolarHBondContact O-N 3.42Å; L36-F122 HydrophobicContact CB-CD2 3.94Å; L36-F122 HydrophobicContact CB-CE2 3.95Å; L36-F122 HydrophobicContact CD1-CD2 3.8Å; L36-F122 HydrophobicContact CD1-CE2 4.06Å; L36-F122 HydrophobicContact CD1-CG 4.26Å; L36-F122 HydrophobicContact CG-CD2 3.85Å; L36-F122 HydrophobicContact CG-CE2 4.28Å; L36-A127 HydrophobicContact CD1-CB 3.96Å; L36-A127 HydrophobicContact CG-CB 4.5Å; L36-V130 HydrophobicContact CD1-CG2 3.91Å; L36-L131 HydrophobicContact CD1-CD1 4.14Å; L36-L131 HydrophobicContact CD1-CD2 4.4Å; L36-L131 HydrophobicContact CD1-CG 4.16Å; L36-L131 HydrophobicContact CD2-CD1 4.14Å
37V98.4Very high95.8Very high0 Ų058.1 Ų58.10%028%0.277CS..EExtended strand (participates in β ladder)trans-120.9153.4175.4-61.30000111.2W46 I47 P49 A71 R117 K118 R119V37-W46 VanDerWaalsContact C-CE3 3.5Å; V37-W46 CarbonylContact O-C 3.51Å; V37-W46 WeakPolarHBondContact O-CA 3.32Å; V37-I47 HydrophobicContact CG2-CD1 4.41Å; V37-I47 HydrophobicContact CG2-CG1 3.74Å; V37-I47 PolarHBondContact N-O 2.8Å; V37-I47 PolarHBondContact O-N 2.9Å; V37-P49 HydrophobicContact CG1-CB 4.27Å; V37-P49 HydrophobicContact CG2-CB 4.01Å; V37-A71 HydrophobicContact CG1-CB 3.6Å; V37-R117 HydrophobicContact CB-CG 4.15Å; V37-R117 VanDerWaalsContact CG2-NH1 3.3Å; V37-K118 CarbonylContact C-O 3.54Å; V37-K118 WeakPolarHBondContact CA-O 3.22Å; V37-R119 HydrophobicContact CG1-CB 4.02Å
38S97.6Very high95.8Very high4 Ų452.5 Ų52.53%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-68.1143.3175.461.30000110.8P43 Q45 R117 K118S38-P43 WeakPolarHBondContact CB-O 3.47Å; S38-Q45 CarbonylContact C-O 3.47Å; S38-Q45 WeakPolarHBondContact CA-O 3.43Å; S38-R117 PolarHBondContact O-NH1 3.01Å; S38-K118 PolarHBondContact N-O 3.05Å; S38-K118 PolarHBondContact OG-N 2.77Å
39S95.6Very high95.9Very high8 Ų850.1 Ų50.16%0.05624%0.243CC..  trans-66.2134174.9163.60000111.1R41 H42 P43 Q45S39-R41 PolarHBondContact O-N 2.89Å; S39-R41 PolarHBondContact OG-N 3.12Å; S39-H42 VanDerWaalsContact CB-O 3.31Å; S39-H42 WeakPolarHBondContact CB-O 3.45Å; S39-H42 CarbonylContact O-C 3.57Å; S39-H42 VanDerWaalsContact O-C 3.32Å; S39-H42 PolarHBondContact O-N 2.94Å; S39-H42 PolarHBondContact OG-N 3.45Å; S39-P43 WeakPolarHBondContact O-CA 3.5Å; S39-Q45 PolarHBondContact N-O 2.95Å
40S91.6Very high96Very high39 Ų3942.8 Ų42.827%0.27321%0.21SC..SBendtrans-64.5-20.4175.658.50000113.8
41R90.6Very high96.1Very high130 Ų13035.2 Ų35.249%0.49118%0.18SC..SBendtrans-94.9-31.2178-63.4-176.5-176.2-167.70.2113.2S39S39-R41 PolarHBondContact O-N 2.89Å; S39-R41 PolarHBondContact OG-N 3.12Å
42H93.1Very high96.1Very high90 Ų9034.1 Ų34.142%0.41718%0.175SC..  trans-137.986.3-175.4-56.4-64000107.8S39 D44 Q45S39-H42 VanDerWaalsContact CB-O 3.31Å; S39-H42 WeakPolarHBondContact CB-O 3.45Å; S39-H42 CarbonylContact O-C 3.57Å; S39-H42 VanDerWaalsContact O-C 3.32Å; S39-H42 PolarHBondContact O-N 2.94Å; S39-H42 PolarHBondContact OG-N 3.45Å; H42-D44 VanDerWaalsContact C-OD1 3.25Å; H42-D44 PolarHBondContact O-N 2.77Å; H42-Q45 HydrophobicContact CB-CB 4.13Å; H42-Q45 HydrophobicContact CB-CG 3.68Å; H42-Q45 WeakPolarHBondContact O-CB 3.41Å; H42-Q45 PolarHBondContact O-N 3.49Å
43P92.1Very high96.2Very high88 Ų8830.9 Ų30.957%0.57116%0.158SC*.THydrogen-bonded Turntrans-61-15-171.7-26.336000115.3S38 S39S38-P43 WeakPolarHBondContact CB-O 3.47Å; S39-P43 WeakPolarHBondContact O-CA 3.5Å
44D92.9Very high96Very high123 Ų12331.8 Ų31.866%0.65816%0.162SC*.THydrogen-bonded Turntrans-80.3-14.2173.559.7-51.9000113.6H42H42-D44 VanDerWaalsContact C-OD1 3.25Å; H42-D44 PolarHBondContact O-N 2.77Å
45Q96.4Very high95.7Very high29 Ų2935 Ų3514%0.13618%0.183CC..SBendtrans-102.5145.7-179.5-55.5-176.1-700111.8S38 S39 H42 H134S38-Q45 CarbonylContact C-O 3.47Å; S38-Q45 WeakPolarHBondContact CA-O 3.43Å; S39-Q45 PolarHBondContact N-O 2.95Å; H42-Q45 HydrophobicContact CB-CB 4.13Å; H42-Q45 HydrophobicContact CB-CG 3.68Å; H42-Q45 WeakPolarHBondContact O-CB 3.41Å; H42-Q45 PolarHBondContact O-N 3.49Å; Q45-H134 PolarHBondContact NE2-CD2 3.37Å
46W97.8Very high95.3Very high56 Ų5642.8 Ų42.821%0.21223%0.225CC..EExtended strand (participates in β ladder)trans-99.7147.5177.6-61.496.9000111.8L36 V37 K118 K120 F122 V130 L131L36-W46 HydrophobicContact CB-CB 4.17Å; L36-W46 HydrophobicContact CB-CE3 4.12Å; L36-W46 HydrophobicContact CD1-CB 3.9Å; V37-W46 VanDerWaalsContact C-CE3 3.5Å; V37-W46 CarbonylContact O-C 3.51Å; V37-W46 WeakPolarHBondContact O-CA 3.32Å; W46-K118 HydrophobicContact CH2-CB 4.24Å; W46-K118 HydrophobicContact CZ3-CB 4.49Å; W46-K120 HydrophobicContact CH2-CB 3.57Å; W46-K120 HydrophobicContact CH2-CD 4.44Å; W46-K120 HydrophobicContact CZ2-CB 4.17Å; W46-K120 HydrophobicContact CZ2-CD 4.25Å; W46-K120 HydrophobicContact CZ3-CB 3.79Å; W46-F122 AromaticContact CD1-CZ 3.85Å; W46-F122 AromaticContact CD2-CE2 3.83Å; W46-F122 HydrophobicContact CD2-CE2 3.83Å; W46-F122 AromaticContact CD2-CZ 3.78Å; W46-F122 HydrophobicContact CD2-CZ 3.78Å; W46-F122 AromaticContact CE2-CZ 3.72Å; W46-F122 HydrophobicContact CE3-CE2 4.03Å; W46-F122 HydrophobicContact CE3-CZ 4.42Å; W46-F122 HydrophobicContact CG-CE2 4.14Å; W46-F122 AromaticContact CG-CZ 3.89Å; W46-F122 HydrophobicContact CG-CZ 3.89Å; W46-F122 HydrophobicContact CZ2-CZ 4.3Å; W46-F122 AromaticContact NE1-CZ 3.75Å; W46-V130 HydrophobicContact CB-CG2 4.34Å; W46-L131 VanDerWaalsContact O-CD2 3.23Å; W46-L131 WeakPolarHBondContact O-CD2 3.41Å
47I97.9Very high95Very high19 Ų1943.9 Ų43.910%0.09723%0.23CC..EExtended strand (participates in β ladder)trans-141.9153.9177.569.6174.1000110.6V37 K135V37-I47 HydrophobicContact CG2-CD1 4.41Å; V37-I47 HydrophobicContact CG2-CG1 3.74Å; V37-I47 PolarHBondContact N-O 2.8Å; V37-I47 PolarHBondContact O-N 2.9Å; I47-K135 HydrophobicContact CG2-CD 4.4Å; I47-K135 HydrophobicContact CG2-CG 3.86Å
48V98.3Very high95Very high2 Ų250.3 Ų50.31%0.01226%0.26CS..  trans-67.1130.6163.8177.60000109A22 C23 L24 L36 L131 H138 Y141A22-V48 HydrophobicContact CB-CG1 4.36Å; C23-V48 VanDerWaalsContact O-CG1 3.24Å; C23-V48 WeakPolarHBondContact O-CG1 3.3Å; L24-V48 HydrophobicContact CD2-CG1 3.79Å; L24-V48 HydrophobicContact CD2-CG2 3.84Å; L36-V48 HydrophobicContact CD2-CG2 3.93Å; V48-L131 HydrophobicContact CG2-CD1 4.1Å; V48-H138 WeakPolarHBondContact CB-ND1 3.26Å; V48-H138 HydrophobicContact CG2-CB 3.97Å; V48-H138 PolarHBondContact N-ND1 2.88Å; V48-H138 VanDerWaalsContact N-ND1 3.17Å; V48-Y141 HydrophobicContact CB-CD2 4.41Å; V48-Y141 HydrophobicContact CG1-CD2 4.33Å; V48-Y141 HydrophobicContact CG2-CD2 4.24Å
49P98.2Very high95Very high0 Ų050.7 Ų50.70%026%0.262CS..  trans-65.7136.6178.428.4-35.3000111.3A22 C23 V37 V67 E70 A71A22-P49 WeakPolarHBondContact CA-O 3.28Å; A22-P49 WeakPolarHBondContact CB-O 3.36Å; C23-P49 PolarHBondContact N-O 3.16Å; V37-P49 HydrophobicContact CG1-CB 4.27Å; V37-P49 HydrophobicContact CG2-CB 4.01Å; P49-V67 HydrophobicContact CB-CG1 4.03Å; P49-V67 HydrophobicContact CG-CG1 3.83Å; P49-E70 HydrophobicContact CB-CB 4.15Å; P49-A71 HydrophobicContact CB-CB 4.18Å; P49-A71 HydrophobicContact CG-CB 4.28Å
50G97.2Very high95.1Very high5 Ų550.9 Ų50.95%0.05227%0.265CS..EExtended strand (participates in β ladder)trans163.1155.4-178.600000113R20 A21R20-G50 PolarHBondContact NH2-O 3.41Å; A21-G50 CarbonylContact O-C 3.45Å; A21-G50 WeakPolarHBondContact O-CA 3.41Å
51G95.9Very high95.4Very high7 Ų753.1 Ų53.17%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-148.9-156.2-168.800000113.6R20 A21R20-G51 WeakPolarHBondContact CA-O 3.24Å; R20-G51 WeakPolarHBondContact CB-O 3.41Å; R20-G51 WeakPolarHBondContact CG-O 3.37Å; R20-G51 PolarHBondContact NE-O 3.25Å; A21-G51 PolarHBondContact N-O 3.2Å; A21-G51 VanDerWaalsContact N-O 3.12Å; A21-G51 PolarHBondContact O-N 3.39Å
52G95.7Very high95.7Very high3 Ų346.9 Ų46.93%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-85144.718000000110.7Q8 R65 E66Q8-G52 PolarHBondContact NE2-O 3.14Å; G52-R65 PolarHBondContact O-NH2 3.14Å; G52-E66 PolarHBondContact N-OE1 3.04Å
53M96.3Very high95.9Very high0 Ų042.6 Ų42.60%023%0.234CC..PPolyproline II helixtrans-76.2140.2167-63.5179.860.100109.7T11 R19 A21 E57 P59 A62 Y96T11-M53 WeakPolarHBondContact CG2-O 3.41Å; T11-M53 PolarHBondContact OG1-O 2.83Å; R19-M53 HydrophobicContact CB-CB 4.18Å; R19-M53 HydrophobicContact CB-CG 4.28Å; R19-M53 HydrophobicContact CB-SD 3.89Å; R19-M53 PolarHBondContact O-N 3.15Å; A21-M53 HydrophobicContact CB-CG 4.16Å; M53-E57 WeakPolarHBondContact CE-O 3.22Å; M53-P59 HydrophobicContact CE-CB 4Å; M53-P59 HydrophobicContact CE-CG 3.74Å; M53-P59 HydrophobicContact SD-CB 4.18Å; M53-P59 HydrophobicContact SD-CG 4.27Å; M53-A62 HydrophobicContact CB-CB 4.35Å; M53-A62 HydrophobicContact CG-CB 3.79Å; M53-Y96 HydrophobicContact SD-CD2 3.89Å; M53-Y96 HydrophobicContact SD-CE2 4.04Å
54E94.3Very high96.2Very high63 Ų6341.1 Ų41.129%0.29422%0.223SC..PPolyproline II helixtrans-84.9162.9173.7-69.1179.4-166.100111.2Q8 T11 D56 E57 R65Q8-E54 HydrophobicContact CG-CG 3.94Å; Q8-E54 PolarHBondContact NE2-OE1 3.28Å; T11-E54 VanDerWaalsContact CG2-C 3.48Å; E54-D56 PolarHBondContact O-N 3.04Å; E54-E57 HydrophobicContact CB-CB 4.19Å; E54-E57 PolarHBondContact N-OE2 3.39Å; E54-E57 VanDerWaalsContact O-CB 3.27Å; E54-E57 WeakPolarHBondContact O-CB 3.46Å; E54-E57 PolarHBondContact O-N 3.37Å; E54-R65 IonicContact OE1-CZ 2.83Å; E54-R65 IonicContact OE1-NE 2.77Å; E54-R65 IonicContact OE1-NH1 3.63Å; E54-R65 IonicContact OE1-NH2 2.72Å
55P92.3Very high96.5Very high66 Ų6637.2 Ų37.243%0.42920%0.199SC..THydrogen-bonded Turntrans-54.2137.8174.6-25.635.7000111.2T9 T11 E57T9-P55 HydrophobicContact CG2-CG 3.81Å; T11-P55 HydrophobicContact CG2-CB 4.44Å; T11-P55 HydrophobicContact CG2-CG 4.04Å; P55-E57 PolarHBondContact O-N 3.43Å
56D90.8Very high96.5Very high167 Ų16735.9 Ų35.989%0.89319%0.193SC*.THydrogen-bonded Turntrans58.414.7179.2-48.6-44.7000115.2E54E54-D56 PolarHBondContact O-N 3.04Å
57E93.2Very high96.5Very high22 Ų2233.2 Ų33.210%0.10318%0.183CC..  trans-87.7129.6178.1-164.5177.9-149.400111.3M53 E54 P55 V61 A62 R65M53-E57 WeakPolarHBondContact CE-O 3.22Å; E54-E57 HydrophobicContact CB-CB 4.19Å; E54-E57 PolarHBondContact N-OE2 3.39Å; E54-E57 VanDerWaalsContact O-CB 3.27Å; E54-E57 WeakPolarHBondContact O-CB 3.46Å; E54-E57 PolarHBondContact O-N 3.37Å; P55-E57 PolarHBondContact O-N 3.43Å; E57-V61 HydrophobicContact CG-CB 4.18Å; E57-V61 HydrophobicContact CG-CG1 4.08Å; E57-A62 VanDerWaalsContact CD-CA 3.41Å; E57-A62 VanDerWaalsContact CD-CB 3.41Å; E57-A62 HydrophobicContact CG-CB 3.92Å; E57-A62 VanDerWaalsContact OE1-CA 3.28Å; E57-A62 WeakPolarHBondContact OE1-CA 3.39Å; E57-A62 PolarHBondContact OE1-N 3.47Å; E57-A62 WeakPolarHBondContact OE2-CB 3.23Å; E57-R65 IonicContact OE1-CZ 3.17Å; E57-R65 IonicContact OE1-NE 2.78Å; E57-R65 PolarHBondContact OE1-NE 2.91Å; E57-R65 IonicContact OE1-NH2 3.17Å; E57-R65 PolarHBondContact OE1-NH2 3.33Å; E57-R65 IonicContact OE2-CZ 2.88Å; E57-R65 IonicContact OE2-NE 2.95Å; E57-R65 IonicContact OE2-NH2 2.81Å; E57-R65 PolarHBondContact OE2-NH2 3.09Å
58E96.6Very high96.5Very high135 Ų13537.3 Ų37.363%0.63120%0.198SC*.  trans-69.7141.5171.6-74-60.2144.500110.9G60 V61 A62E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 2.87Å; E58-G60 VanDerWaalsContact O-N 3.14Å; E58-V61 HydrophobicContact CB-CB 4.38Å; E58-V61 HydrophobicContact CB-CG2 4.01Å; E58-V61 WeakPolarHBondContact O-CB 3.24Å; E58-V61 PolarHBondContact O-N 3.06Å; E58-A62 PolarHBondContact O-N 2.81Å
59P97.6Very high96.4Very high12 Ų1238.4 Ų38.48%0.07820%0.203CC..Hα-helixtrans-57.1-36.4-174.4-21.227.7000114.4A21 M53 A63 Y96 Y98A21-P59 WeakPolarHBondContact CB-O 3.43Å; M53-P59 HydrophobicContact CE-CB 4Å; M53-P59 HydrophobicContact CE-CG 3.74Å; M53-P59 HydrophobicContact SD-CB 4.18Å; M53-P59 HydrophobicContact SD-CG 4.27Å; P59-A63 WeakPolarHBondContact O-CB 3.39Å; P59-A63 PolarHBondContact O-N 3.21Å; P59-Y96 HydrophobicContact CB-CD1 3.76Å; P59-Y96 HydrophobicContact CB-CD2 4.03Å; P59-Y96 HydrophobicContact CB-CE1 4.35Å; P59-Y96 HydrophobicContact CB-CG 3.59Å; P59-Y96 HydrophobicContact CG-CD1 3.88Å; P59-Y96 HydrophobicContact CG-CD2 4.3Å; P59-Y96 HydrophobicContact CG-CE1 3.96Å; P59-Y96 HydrophobicContact CG-CE2 4.41Å; P59-Y96 HydrophobicContact CG-CG 4.07Å; P59-Y98 HydrophobicContact CB-CE2 4.12Å
60G97.9Very high96.4Very high12 Ų1239 Ų3912%0.12421%0.206CC..Hα-helixtrans-68.3-37.5177.100000112.8E58 A63 V64E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 2.87Å; E58-G60 VanDerWaalsContact O-N 3.14Å; G60-A63 PolarHBondContact O-N 3.43Å; G60-V64 WeakPolarHBondContact O-CG2 3.38Å; G60-V64 PolarHBondContact O-N 2.99Å; G60-V64 VanDerWaalsContact O-N 3.09Å
61V97.8Very high96.4Very high86 Ų8638.8 Ų38.852%0.52120%0.203SC..Hα-helixtrans-65.1-47176176.70000109.8E57 E58 A63 V64 R65E57-V61 HydrophobicContact CG-CB 4.18Å; E57-V61 HydrophobicContact CG-CG1 4.08Å; E58-V61 HydrophobicContact CB-CB 4.38Å; E58-V61 HydrophobicContact CB-CG2 4.01Å; E58-V61 WeakPolarHBondContact O-CB 3.24Å; E58-V61 PolarHBondContact O-N 3.06Å; V61-A63 VanDerWaalsContact C-N 3.29Å; V61-A63 PolarHBondContact O-N 2.64Å; V61-V64 PolarHBondContact O-N 2.94Å; V61-R65 WeakPolarHBondContact O-CB 3.02Å; V61-R65 PolarHBondContact O-N 3.26Å
62A97.7Very high96.5Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-57.4-41.917500000112.2A21 M53 E57 E58 R65 E66A21-A62 HydrophobicContact CB-CB 3.6Å; M53-A62 HydrophobicContact CB-CB 4.35Å; M53-A62 HydrophobicContact CG-CB 3.79Å; E57-A62 VanDerWaalsContact CD-CA 3.41Å; E57-A62 VanDerWaalsContact CD-CB 3.41Å; E57-A62 HydrophobicContact CG-CB 3.92Å; E57-A62 VanDerWaalsContact OE1-CA 3.28Å; E57-A62 WeakPolarHBondContact OE1-CA 3.39Å; E57-A62 PolarHBondContact OE1-N 3.47Å; E57-A62 WeakPolarHBondContact OE2-CB 3.23Å; E58-A62 PolarHBondContact O-N 2.81Å; A62-R65 PolarHBondContact O-N 2.85Å; A62-E66 WeakPolarHBondContact O-CB 3.36Å; A62-E66 VanDerWaalsContact O-CG 3.26Å; A62-E66 WeakPolarHBondContact O-CG 3.38Å; A62-E66 PolarHBondContact O-N 3.04Å
63A98.2Very high96.7Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-63.4-45.9179.600000111.6A21 C23 P59 G60 V61 E66 V67 Y98A21-A63 HydrophobicContact CB-CB 3.93Å; C23-A63 WeakPolarHBondContact SG-CB 3.19Å; P59-A63 WeakPolarHBondContact O-CB 3.39Å; P59-A63 PolarHBondContact O-N 3.21Å; G60-A63 PolarHBondContact O-N 3.43Å; V61-A63 VanDerWaalsContact C-N 3.29Å; V61-A63 PolarHBondContact O-N 2.64Å; A63-E66 PolarHBondContact O-N 2.98Å; A63-V67 WeakPolarHBondContact O-CG1 3.26Å; A63-V67 PolarHBondContact O-N 2.99Å; A63-V67 VanDerWaalsContact O-N 3.13Å; A63-Y98 HydrophobicContact CB-CD2 3.89Å
64V98.3Very high96.8Very high57 Ų5742.2 Ų42.235%0.34522%0.215SC..Hα-helixtrans-64.1-45.6177.71730000111.4G60 V61 V67 Y68 L77 L100G60-V64 WeakPolarHBondContact O-CG2 3.38Å; G60-V64 PolarHBondContact O-N 2.99Å; G60-V64 VanDerWaalsContact O-N 3.09Å; V61-V64 PolarHBondContact O-N 2.94Å; V64-V67 WeakPolarHBondContact O-CG2 3.33Å; V64-V67 PolarHBondContact O-N 3.33Å; V64-Y68 WeakPolarHBondContact O-CB 3.28Å; V64-Y68 PolarHBondContact O-N 3.22Å; V64-Y68 VanDerWaalsContact O-N 3.08Å; V64-L77 HydrophobicContact CG2-CB 4.18Å; V64-L77 HydrophobicContact CG2-CD1 4.01Å; V64-L77 HydrophobicContact CG2-CD2 4.07Å; V64-L77 HydrophobicContact CG2-CG 4.32Å; V64-L100 HydrophobicContact CG2-CD1 4.27Å
65R97.7Very high96.9Very high41 Ų4140.4 Ų40.416%0.15521%0.213CC..Hα-helixtrans-59-49176.8178.4-178.554.266.71.6111.5G52 E54 E57 V61 A62 V67 Y68 E69G52-R65 PolarHBondContact O-NH2 3.14Å; E54-R65 IonicContact OE1-CZ 2.83Å; E54-R65 IonicContact OE1-NE 2.77Å; E54-R65 IonicContact OE1-NH1 3.63Å; E54-R65 IonicContact OE1-NH2 2.72Å; E57-R65 IonicContact OE1-CZ 3.17Å; E57-R65 IonicContact OE1-NE 2.78Å; E57-R65 PolarHBondContact OE1-NE 2.91Å; E57-R65 IonicContact OE1-NH2 3.17Å; E57-R65 PolarHBondContact OE1-NH2 3.33Å; E57-R65 IonicContact OE2-CZ 2.88Å; E57-R65 IonicContact OE2-NE 2.95Å; E57-R65 IonicContact OE2-NH2 2.81Å; E57-R65 PolarHBondContact OE2-NH2 3.09Å; V61-R65 WeakPolarHBondContact O-CB 3.02Å; V61-R65 PolarHBondContact O-N 3.26Å; A62-R65 PolarHBondContact O-N 2.85Å; R65-V67 PolarHBondContact O-N 3.49Å; R65-Y68 WeakPolarHBondContact O-CB 3.49Å; R65-Y68 PolarHBondContact O-N 3.03Å; R65-E69 WeakPolarHBondContact CD-OE1 3.49Å; R65-E69 HydrophobicContact CG-CG 4.5Å; R65-E69 WeakPolarHBondContact CG-OE1 3.28Å; R65-E69 IonicContact NH1-OE1 2.85Å; R65-E69 PolarHBondContact NH1-OE1 3.33Å; R65-E69 IonicContact NH1-OE2 3.11Å; R65-E69 WeakPolarHBondContact O-CG 3.39Å; R65-E69 PolarHBondContact O-N 2.81Å
66E97.8Very high97.2Very high0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-64.5-38.5-177.7-71.9-70.9170.700112.6K5 Q8 G52 A62 A63 Y68 E69 E70K5-E66 IonicContact NZ-OE1 3.87Å; K5-E66 PolarHBondContact NZ-OE1 2.81Å; K5-E66 IonicContact NZ-OE2 2.97Å; K5-E66 PolarHBondContact NZ-OE2 2.83Å; Q8-E66 PolarHBondContact NE2-OE1 3.3Å; G52-E66 PolarHBondContact N-OE1 3.04Å; A62-E66 WeakPolarHBondContact O-CB 3.36Å; A62-E66 VanDerWaalsContact O-CG 3.26Å; A62-E66 WeakPolarHBondContact O-CG 3.38Å; A62-E66 PolarHBondContact O-N 3.04Å; A63-E66 PolarHBondContact O-N 2.98Å; E66-Y68 VanDerWaalsContact C-N 3.34Å; E66-E69 PolarHBondContact O-N 2.66Å; E66-E70 VanDerWaalsContact O-CB 3.28Å; E66-E70 WeakPolarHBondContact O-CB 3.45Å; E66-E70 VanDerWaalsContact O-CG 3.29Å; E66-E70 WeakPolarHBondContact O-CG 2.96Å; E66-E70 PolarHBondContact O-N 3.09Å
67V97.9Very high97.6Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-73.3-28.3177.2-58.40000113.1C23 P49 A63 V64 R65 A71 G72 V73 L100C23-V67 HydrophobicContact CB-CG1 3.61Å; P49-V67 HydrophobicContact CB-CG1 4.03Å; P49-V67 HydrophobicContact CG-CG1 3.83Å; A63-V67 WeakPolarHBondContact O-CG1 3.26Å; A63-V67 PolarHBondContact O-N 2.99Å; A63-V67 VanDerWaalsContact O-N 3.13Å; V64-V67 WeakPolarHBondContact O-CG2 3.33Å; V64-V67 PolarHBondContact O-N 3.33Å; R65-V67 PolarHBondContact O-N 3.49Å; V67-A71 CarbonylContact O-C 3.52Å; V67-A71 WeakPolarHBondContact O-CA 3.41Å; V67-A71 WeakPolarHBondContact O-CB 3.39Å; V67-A71 PolarHBondContact O-N 2.96Å; V67-G72 PolarHBondContact O-N 3.41Å; V67-G72 VanDerWaalsContact O-N 3.16Å; V67-V73 HydrophobicContact CB-CG2 4.24Å; V67-V73 HydrophobicContact CG2-CG2 4.3Å; V67-L100 HydrophobicContact CG2-CD1 4.13Å
68Y98Very high97.7Very high105 Ų10540 Ų4041%0.41221%0.21SC..Hα-helixtrans-62.8-50.4170.2-178.6-97.5000110.8V64 R65 E66 G72 K74 L106V64-Y68 WeakPolarHBondContact O-CB 3.28Å; V64-Y68 PolarHBondContact O-N 3.22Å; V64-Y68 VanDerWaalsContact O-N 3.08Å; R65-Y68 WeakPolarHBondContact O-CB 3.49Å; R65-Y68 PolarHBondContact O-N 3.03Å; E66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-G72 VanDerWaalsContact O-CA 3.22Å; Y68-G72 WeakPolarHBondContact O-CA 3.4Å; Y68-G72 PolarHBondContact O-N 3.47Å; Y68-K74 HydrophobicContact CD2-CG 3.92Å; Y68-K74 HydrophobicContact CE2-CD 4.42Å; Y68-K74 HydrophobicContact CE2-CG 4.18Å; Y68-L106 HydrophobicContact CD2-CD1 4.24Å; Y68-L106 HydrophobicContact CE2-CD1 3.5Å
69E96.1Very high97.7Very high25 Ų2538.1 Ų38.112%0.11720%0.197CC..Hα-helixtrans-70.6-39.2-178.6-67.9170.4-166.500113.6K5 R65 E66 W109 D111K5-E69 WeakPolarHBondContact CE-OE2 3.33Å; K5-E69 IonicContact NZ-OE2 2.78Å; K5-E69 PolarHBondContact NZ-OE2 3.35Å; R65-E69 WeakPolarHBondContact CD-OE1 3.49Å; R65-E69 HydrophobicContact CG-CG 4.5Å; R65-E69 WeakPolarHBondContact CG-OE1 3.28Å; R65-E69 IonicContact NH1-OE1 2.85Å; R65-E69 PolarHBondContact NH1-OE1 3.33Å; R65-E69 IonicContact NH1-OE2 3.11Å; R65-E69 WeakPolarHBondContact O-CG 3.39Å; R65-E69 PolarHBondContact O-N 2.81Å; E66-E69 PolarHBondContact O-N 2.66Å; E69-W109 VanDerWaalsContact O-CD1 3.26Å; E69-D111 VanDerWaalsContact O-CB 3.32Å; E69-D111 WeakPolarHBondContact O-CB 3.17Å; E69-D111 PolarHBondContact O-N 2.99Å; E69-D111 VanDerWaalsContact O-N 3.1Å
70E97.6Very high97.7Very high13 Ų1341.2 Ų41.26%0.06121%0.213CC..Hα-helixtrans-91.7-33.3-173.7-60.3-141.1144.800113.6K3 P49 E66 W109 R117K3-E70 IonicContact NZ-OE1 3.11Å; K3-E70 PolarHBondContact NZ-OE1 3.27Å; P49-E70 HydrophobicContact CB-CB 4.15Å; E66-E70 VanDerWaalsContact O-CB 3.28Å; E66-E70 WeakPolarHBondContact O-CB 3.45Å; E66-E70 VanDerWaalsContact O-CG 3.29Å; E66-E70 WeakPolarHBondContact O-CG 2.96Å; E66-E70 PolarHBondContact O-N 3.09Å; E70-W109 PolarHBondContact O-NE1 3.39Å; E70-R117 WeakPolarHBondContact O-CD 3.41Å; E70-R117 IonicContact OE1-CZ 2.78Å; E70-R117 IonicContact OE1-NH1 3.39Å; E70-R117 IonicContact OE1-NH2 3.53Å; E70-R117 PolarHBondContact OE1-NH2 3.31Å; E70-R117 IonicContact OE2-CZ 2.59Å; E70-R117 IonicContact OE2-NH1 3.5Å; E70-R117 PolarHBondContact OE2-NH1 3.24Å; E70-R117 IonicContact OE2-NH2 3.46Å; E70-R117 PolarHBondContact OE2-NH2 3.46Å
71A97.6Very high97.6Very high0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-116.7-10.4-174.500000113.7L35 V37 P49 V67 V73 R119L35-A71 HydrophobicContact CD2-CB 4.07Å; V37-A71 HydrophobicContact CG1-CB 3.6Å; P49-A71 HydrophobicContact CB-CB 4.18Å; P49-A71 HydrophobicContact CG-CB 4.28Å; V67-A71 CarbonylContact O-C 3.52Å; V67-A71 WeakPolarHBondContact O-CA 3.41Å; V67-A71 WeakPolarHBondContact O-CB 3.39Å; V67-A71 PolarHBondContact O-N 2.96Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 HydrophobicContact CB-CG2 4.1Å; A71-V73 PolarHBondContact O-N 3.24Å; A71-R119 WeakPolarHBondContact O-CD 3.34Å; A71-R119 PolarHBondContact O-NH1 2.88Å
72G98.1Very high97.6Very high0 Ų037.9 Ų37.90%019%0.193CC..  trans64.337.9179.100000112.7V67 Y68 L106 W109 R119V67-G72 PolarHBondContact O-N 3.41Å; V67-G72 VanDerWaalsContact O-N 3.16Å; Y68-G72 VanDerWaalsContact O-CA 3.22Å; Y68-G72 WeakPolarHBondContact O-CA 3.4Å; Y68-G72 PolarHBondContact O-N 3.47Å; G72-L106 WeakPolarHBondContact O-CB 3.46Å; G72-L106 PolarHBondContact O-N 3.01Å; G72-W109 VanDerWaalsContact CA-CB 3.42Å; G72-W109 VanDerWaalsContact CA-CG 3.5Å; G72-R119 PolarHBondContact O-NH1 3.09Å; G72-R119 VanDerWaalsContact O-NH1 3.09Å
73V98.4Very high97.6Very high1 Ų141.8 Ų41.81%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-124.2149.1-179.5-63.40000111.7C25 L35 V67 A71 V102 E104 T105C25-V73 HydrophobicContact CB-CG2 4.47Å; L35-V73 HydrophobicContact CD2-CG1 3.51Å; L35-V73 HydrophobicContact CD2-CG2 4.4Å; V67-V73 HydrophobicContact CB-CG2 4.24Å; V67-V73 HydrophobicContact CG2-CG2 4.3Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 HydrophobicContact CB-CG2 4.1Å; A71-V73 PolarHBondContact O-N 3.24Å; V73-V102 HydrophobicContact CB-CG1 4.05Å; V73-V102 HydrophobicContact CB-CG2 4.28Å; V73-V102 HydrophobicContact CG1-CG1 4.05Å; V73-V102 HydrophobicContact CG1-CG2 4.49Å; V73-V102 HydrophobicContact CG2-CG2 4.29Å; V73-E104 WeakPolarHBondContact CA-O 3.24Å; V73-T105 HydrophobicContact CG1-CG2 4.39Å
74K98.3Very high97.5Very high82 Ų8242 Ų4236%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-119.7156.3165.2-52.7-179.4-161.2140.80109Y68 T103 E104Y68-K74 HydrophobicContact CD2-CG 3.92Å; Y68-K74 HydrophobicContact CE2-CD 4.42Å; Y68-K74 HydrophobicContact CE2-CG 4.18Å; K74-T103 PolarHBondContact O-N 2.9Å; K74-T103 PolarHBondContact O-OG1 2.83Å; K74-E104 HydrophobicContact CB-CB 4.15Å; K74-E104 WeakPolarHBondContact CD-OE2 3.22Å; K74-E104 PolarHBondContact N-O 3.49Å; K74-E104 VanDerWaalsContact NZ-CD 3.3Å; K74-E104 IonicContact NZ-OE1 3.74Å; K74-E104 PolarHBondContact NZ-OE1 2.89Å; K74-E104 IonicContact NZ-OE2 3.67Å; K74-E104 PolarHBondContact NZ-OE2 2.85Å; K74-E104 PolarHBondContact O-N 3.03Å; K74-E104 VanDerWaalsContact O-N 3.12Å
75G97.4Very high97.3Very high24 Ų2444.1 Ų44.125%0.24722%0.22CC..EExtended strand (participates in β ladder)trans-172.1177.4-178.100000113.5L77 I101 T103G75-L77 PolarHBondContact O-N 3.03Å; G75-I101 CarbonylContact C-O 3.45Å; G75-I101 WeakPolarHBondContact CA-O 3.38Å; G75-T103 WeakPolarHBondContact CA-OG1 3.2Å
76K98.2Very high96.9Very high146 Ų14644.6 Ų44.664%0.63522%0.224SC*.EExtended strand (participates in β ladder)trans-82111.4172-174.9179.7176.3-173.70108.4G78 I101K76-G78 PolarHBondContact O-N 3.24Å; K76-I101 PolarHBondContact N-O 3.47Å; K76-I101 PolarHBondContact O-N 3.41Å
77L98.3Very high96.4Very high60 Ų6050.6 Ų50.631%0.31425%0.251SS..EExtended strand (participates in β ladder)trans-63.5128.4171.9-170.368.5000109.2V64 G75 Y98 L100V64-L77 HydrophobicContact CG2-CB 4.18Å; V64-L77 HydrophobicContact CG2-CD1 4.01Å; V64-L77 HydrophobicContact CG2-CD2 4.07Å; V64-L77 HydrophobicContact CG2-CG 4.32Å; G75-L77 PolarHBondContact O-N 3.03Å; L77-Y98 HydrophobicContact CD1-CD1 4.19Å; L77-Y98 HydrophobicContact CD1-CG 3.96Å; L77-Y98 HydrophobicContact CD2-CD1 4.36Å; L77-Y98 HydrophobicContact CG-CD1 4.3Å; L77-L100 HydrophobicContact CD1-CD1 4.27Å
78G96.7Very high95.6Very high40 Ų4055.1 Ų55.141%0.41228%0.276SS..EExtended strand (participates in β ladder)trans-106.6-147.4-179.600000112.2K76 A99K76-G78 PolarHBondContact O-N 3.24Å; G78-A99 WeakPolarHBondContact CA-O 3.4Å; G78-A99 PolarHBondContact N-O 2.93Å
79R96.5Very high94.3Very high96 Ų9659.6 Ų59.636%0.36230%0.3SS..EExtended strand (participates in β ladder)trans-67.4149.7-176.269.4-171.7-177.3-73.83.5112.6E31 L81 Y98 A99 T148E31-R79 IonicContact OE1-CZ 3.65Å; E31-R79 IonicContact OE1-NH1 2.72Å; E31-R79 PolarHBondContact OE1-NH1 3.01Å; E31-R79 IonicContact OE1-NH2 3.64Å; E31-R79 IonicContact OE2-CZ 3.54Å; E31-R79 IonicContact OE2-NH1 3.37Å; E31-R79 PolarHBondContact OE2-NH1 2.99Å; E31-R79 IonicContact OE2-NH2 2.77Å; E31-R79 PolarHBondContact OE2-NH2 3.34Å; R79-L81 HydrophobicContact CG-CD2 4.08Å; R79-L81 PolarHBondContact O-N 3.41Å; R79-Y98 WeakPolarHBondContact O-CA 3.32Å; R79-A99 HydrophobicContact CG-CB 4.42Å; R79-A99 PolarHBondContact O-N 2.94Å; R79-T148 PolarHBondContact NH2-OG1 2.92Å
80L97.6Very high93.1Very high78 Ų7865.7 Ų65.741%0.40833%0.334SS..EExtended strand (participates in β ladder)trans-70119.9161.2178.369.4000108.1Y96 V97 Y98L80-Y96 HydrophobicContact CD1-CD1 4.45Å; L80-V97 WeakPolarHBondContact CD1-O 3.33Å; L80-Y98 HydrophobicContact CB-CD1 4.05Å; L80-Y98 HydrophobicContact CB-CE1 3.72Å; L80-Y98 HydrophobicContact CD1-CD1 4.34Å; L80-Y98 HydrophobicContact CD1-CD2 4.1Å; L80-Y98 HydrophobicContact CD1-CE1 3.99Å; L80-Y98 HydrophobicContact CD1-CE2 3.73Å; L80-Y98 HydrophobicContact CD1-CG 4.39Å; L80-Y98 HydrophobicContact CG-CE1 4.43Å
81L96.4Very high92.3Very high13 Ų1370.7 Ų70.77%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-79-32.4176.6-65.1174.1000111.7L24 R79 V97 A99 L145L24-L81 HydrophobicContact CB-CD1 4.45Å; L24-L81 HydrophobicContact CD1-CD1 3.37Å; L24-L81 HydrophobicContact CG-CD1 3.9Å; R79-L81 HydrophobicContact CG-CD2 4.08Å; R79-L81 PolarHBondContact O-N 3.41Å; L81-V97 WeakPolarHBondContact CB-O 3.49Å; L81-V97 HydrophobicContact CD1-CG1 4.28Å; L81-V97 PolarHBondContact N-O 2.99Å; L81-A99 HydrophobicContact CD1-CB 4.48Å; L81-A99 HydrophobicContact CG-CB 4.46Å; L81-L145 HydrophobicContact CD1-CD1 3.92Å; L81-L145 HydrophobicContact CD2-CD1 3.87Å
82G96.5Very high92.1Very high14 Ų1474.8 Ų74.814%0.14437%0.37CS..EExtended strand (participates in β ladder)trans162.8179.2176.700000112.9V97G82-V97 PolarHBondContact O-N 2.94Å
83I97.3Very high91.9Very high82 Ų8275.9 Ų75.942%0.42138%0.375SS..EExtended strand (participates in β ladder)trans-111.5121.3172.1-58.5170.6000106.4R94 T95 Y96I83-R94 HydrophobicContact CG2-CG 3.32Å; I83-T95 WeakPolarHBondContact CA-O 3.18Å; I83-Y96 HydrophobicContact CD1-CD1 3.9Å; I83-Y96 HydrophobicContact CD1-CE1 3.46Å; I83-Y96 VanDerWaalsContact CD1-CE1 3.46Å; I83-Y96 HydrophobicContact CG1-CD1 3.69Å; I83-Y96 HydrophobicContact CG1-CE1 3.79Å; I83-Y96 HydrophobicContact CG1-CG 4.34Å
84F95.8Very high91.8Very high6 Ų677.9 Ų77.93%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-112.8130-175.1-64.5-98.5000110.2T95 V97 V137 E140 Y141 R144F84-T95 PolarHBondContact N-O 2.88Å; F84-T95 PolarHBondContact O-N 3.02Å; F84-V97 HydrophobicContact CD2-CB 4Å; F84-V97 HydrophobicContact CD2-CG2 3.5Å; F84-V97 HydrophobicContact CE2-CB 3.9Å; F84-V97 HydrophobicContact CE2-CG2 3.89Å; F84-V97 HydrophobicContact CG-CG2 4.47Å; F84-V137 HydrophobicContact CB-CG1 4.36Å; F84-E140 HydrophobicContact CD1-CG 4.32Å; F84-E140 HydrophobicContact CE1-CB 4.37Å; F84-E140 HydrophobicContact CE1-CG 4Å; F84-Y141 HydrophobicContact CB-CD1 4.12Å; F84-Y141 HydrophobicContact CB-CE1 3.37Å; F84-Y141 AromaticContact CD1-CD1 3.53Å; F84-Y141 HydrophobicContact CD1-CD1 3.53Å; F84-Y141 AromaticContact CD1-CE1 3.64Å; F84-Y141 HydrophobicContact CD1-CE1 3.64Å; F84-Y141 AromaticContact CD2-CD1 3.57Å; F84-Y141 HydrophobicContact CD2-CD1 3.57Å; F84-Y141 AromaticContact CD2-CE1 3.61Å; F84-Y141 HydrophobicContact CD2-CE1 3.61Å; F84-Y141 AromaticContact CE1-CD1 3.69Å; F84-Y141 HydrophobicContact CE1-CD1 3.69Å; F84-Y141 HydrophobicContact CE1-CE1 4.28Å; F84-Y141 AromaticContact CE2-CD1 3.73Å; F84-Y141 HydrophobicContact CE2-CD1 3.73Å; F84-Y141 HydrophobicContact CE2-CE1 4.25Å; F84-Y141 HydrophobicContact CE2-CG 4.44Å; F84-Y141 AromaticContact CG-CD1 3.46Å; F84-Y141 HydrophobicContact CG-CD1 3.46Å; F84-Y141 VanDerWaalsContact CG-CD1 3.46Å; F84-Y141 AromaticContact CG-CE1 3.24Å; F84-Y141 HydrophobicContact CG-CE1 3.24Å; F84-Y141 AromaticContact CZ-CD1 3.78Å; F84-Y141 HydrophobicContact CZ-CD1 3.78Å; F84-R144 HydrophobicContact CE1-CB 4.45Å; F84-R144 HydrophobicContact CZ-CB 3.92Å; F84-R144 HydrophobicContact CZ-CG 4.15Å
85E94.5Very high91.8Very high101 Ų10174.3 Ų74.347%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-102.4131.9-178.6-63.1-171.2169.700110.4F17 H93 R94F17-E85 HydrophobicContact CE1-CB 4.31Å; F17-E85 HydrophobicContact CE1-CG 4.49Å; E85-H93 WeakPolarHBondContact CA-O 3.47Å; E85-R94 HydrophobicContact CG-CG 4.33Å; E85-R94 IonicContact OE1-CZ 3.62Å; E85-R94 IonicContact OE1-NE 3.83Å; E85-R94 PolarHBondContact OE1-NE 2.95Å; E85-R94 IonicContact OE1-NH2 2.83Å; E85-R94 PolarHBondContact OE1-NH2 3.49Å
86Q90.1Very high91.9Very high50 Ų5075.5 Ų75.523%0.23437%0.365CS..EExtended strand (participates in β ladder)trans-118.6114.5169-175.4179.123.600107.9K92 H93 V137Q86-K92 WeakPolarHBondContact O-CA 3.32Å; Q86-H93 HydrophobicContact CB-CB 4.3Å; Q86-H93 PolarHBondContact N-O 3.41Å; Q86-H93 PolarHBondContact O-N 3.49Å; Q86-H93 PolarHBondContact OE1-ND1 3Å; Q86-V137 HydrophobicContact CB-CG2 4.38Å; Q86-V137 HydrophobicContact CG-CG2 4.26Å
87H86.9Confident91.9Very high126 Ų12668.5 Ų68.558%0.58334%0.335SS*.EExtended strand (participates in β ladder)trans-121.7101.7176.9-175.2-160.8000109.9F17 K92F17-H87 HydrophobicContact CE1-CB 4.48Å; H87-K92 WeakPolarHBondContact NE2-CE 3.37Å
88N81.4Confident91.9Very high96 Ų9667.3 Ų67.351%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-118.3162.7170.4-63.219.6000108.2D90 R91N88-D90 PolarHBondContact O-N 3.48Å; N88-R91 PolarHBondContact N-O 3.25Å; N88-R91 PolarHBondContact O-N 2.94Å; N88-R91 VanDerWaalsContact O-O 3.11Å
89Q70.6Confident92Very high198 Ų19865.5 Ų65.593%0.92531%0.307SS*.THydrogen-bonded Turntrans-47.1-32.9-174.1-72.5178-26.200114.4
90D71.4Confident92.1Very high153 Ų15361 Ų6182%0.81829%0.29SS*.THydrogen-bonded Turntrans-107.5-5.9-178.7-57.5-45.6000115.2N88N88-D90 PolarHBondContact O-N 3.48Å
91R80.7Confident92.1Very high119 Ų11959 Ų5945%0.44928%0.279SS..EExtended strand (participates in β ladder)trans-146.4124.4-169.8-61.5-172.7-169.8152.516.1112.4N88N88-R91 PolarHBondContact N-O 3.25Å; N88-R91 PolarHBondContact O-N 2.94Å; N88-R91 VanDerWaalsContact O-O 3.11Å
92K92.3Very high92.2Very high86 Ų8659.2 Ų59.237%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-112112.5167-69-175.8176.7-1740108.8F17 K18 Q86 H87F17-K92 HydrophobicContact CB-CB 4.27Å; F17-K92 HydrophobicContact CD1-CB 3.69Å; F17-K92 HydrophobicContact CD1-CG 4.45Å; F17-K92 HydrophobicContact CD2-CB 4.29Å; F17-K92 HydrophobicContact CD2-CD 4.22Å; F17-K92 HydrophobicContact CE1-CB 4.05Å; F17-K92 HydrophobicContact CE1-CG 4.35Å; F17-K92 HydrophobicContact CE2-CD 4.11Å; F17-K92 HydrophobicContact CG-CB 3.81Å; F17-K92 HydrophobicContact CZ-CD 4.36Å; F17-K92 HydrophobicContact CZ-CG 4.46Å; K18-K92 PolarHBondContact N-O 3.37Å; Q86-K92 WeakPolarHBondContact O-CA 3.32Å; H87-K92 WeakPolarHBondContact NE2-CE 3.37Å
93H95Very high92.3Very high23 Ų2363.6 Ų63.611%0.10631%0.305CS..EExtended strand (participates in β ladder)trans-123.2136.5175.4-59.3153.4000110.3K18 E85 Q86K18-H93 WeakPolarHBondContact O-CA 3.13Å; E85-H93 WeakPolarHBondContact CA-O 3.47Å; Q86-H93 HydrophobicContact CB-CB 4.3Å; Q86-H93 PolarHBondContact N-O 3.41Å; Q86-H93 PolarHBondContact O-N 3.49Å; Q86-H93 PolarHBondContact OE1-ND1 3Å
94R96.6Very high92.3Very high43 Ų4363.5 Ų63.516%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-120.5110.3170.3-173.1173-78.7157.4-8.8107.4D13 D15 F17 K18 R20 I83 E85D13-R94 IonicContact OD1-NH1 2.76Å; D13-R94 WeakPolarHBondContact OD2-CD 3.29Å; D13-R94 IonicContact OD2-CZ 3.65Å; D13-R94 IonicContact OD2-NE 3.03Å; D13-R94 IonicContact OD2-NH1 3.61Å; D13-R94 PolarHBondContact OD2-NH1 3.46Å; D15-R94 IonicContact OD2-CZ 3.84Å; D15-R94 IonicContact OD2-NH1 3.47Å; D15-R94 PolarHBondContact OD2-NH1 3.08Å; D15-R94 IonicContact OD2-NH2 3.68Å; D15-R94 PolarHBondContact OD2-NH2 3.42Å; D15-R94 VanDerWaalsContact OD2-NH2 3.11Å; F17-R94 HydrophobicContact CB-CB 3.87Å; F17-R94 HydrophobicContact CD1-CB 4.24Å; F17-R94 HydrophobicContact CG-CB 4.34Å; K18-R94 PolarHBondContact O-N 3.23Å; R20-R94 PolarHBondContact N-O 3.32Å; I83-R94 HydrophobicContact CG2-CG 3.32Å; E85-R94 HydrophobicContact CG-CG 4.33Å; E85-R94 IonicContact OE1-CZ 3.62Å; E85-R94 IonicContact OE1-NE 3.83Å; E85-R94 PolarHBondContact OE1-NE 2.95Å; E85-R94 IonicContact OE1-NH2 2.83Å; E85-R94 PolarHBondContact OE1-NH2 3.49Å
95T97.9Very high92.4Very high7 Ų766.3 Ų66.34%0.04332%0.321CS..EExtended strand (participates in β ladder)trans-111.2119.3-169.2-48.90000110.7R20 A22 I83 F84 V97R20-T95 HydrophobicContact CB-CG2 3.97Å; R20-T95 CarbonylContact O-C 3.58Å; R20-T95 VanDerWaalsContact O-CA 3.32Å; R20-T95 WeakPolarHBondContact O-CA 2.92Å; A22-T95 HydrophobicContact CB-CG2 3.96Å; I83-T95 WeakPolarHBondContact CA-O 3.18Å; F84-T95 PolarHBondContact N-O 2.88Å; F84-T95 PolarHBondContact O-N 3.02Å; T95-V97 HydrophobicContact CG2-CG2 3.98Å
96Y98.3Very high92.6Very high48 Ų4863.1 Ų63.119%0.18831%0.307CS..EExtended strand (participates in β ladder)trans-80.3120.3169.8-62.8-102.4000108.7R20 A21 A22 M53 P59 L80 I83R20-Y96 WeakPolarHBondContact O-CD2 3.13Å; R20-Y96 PolarHBondContact O-N 2.74Å; A21-Y96 CarbonylContact C-O 3.58Å; A21-Y96 WeakPolarHBondContact CA-O 3.28Å; A22-Y96 PolarHBondContact N-O 2.92Å; M53-Y96 HydrophobicContact SD-CD2 3.89Å; M53-Y96 HydrophobicContact SD-CE2 4.04Å; P59-Y96 HydrophobicContact CB-CD1 3.76Å; P59-Y96 HydrophobicContact CB-CD2 4.03Å; P59-Y96 HydrophobicContact CB-CE1 4.35Å; P59-Y96 HydrophobicContact CB-CG 3.59Å; P59-Y96 HydrophobicContact CG-CD1 3.88Å; P59-Y96 HydrophobicContact CG-CD2 4.3Å; P59-Y96 HydrophobicContact CG-CE1 3.96Å; P59-Y96 HydrophobicContact CG-CE2 4.41Å; P59-Y96 HydrophobicContact CG-CG 4.07Å; L80-Y96 HydrophobicContact CD1-CD1 4.45Å; I83-Y96 HydrophobicContact CD1-CD1 3.9Å; I83-Y96 HydrophobicContact CD1-CE1 3.46Å; I83-Y96 VanDerWaalsContact CD1-CE1 3.46Å; I83-Y96 HydrophobicContact CG1-CD1 3.69Å; I83-Y96 HydrophobicContact CG1-CE1 3.79Å; I83-Y96 HydrophobicContact CG1-CG 4.34Å
97V98.6Very high92.7Very high0 Ų069 Ų690%034%0.335CS..EExtended strand (participates in β ladder)trans-115.4121.1-175.6-175.50000110A22 L24 L80 L81 G82 F84 T95 Y141A22-V97 HydrophobicContact CB-CG2 4.44Å; A22-V97 WeakPolarHBondContact O-CA 3.32Å; L24-V97 HydrophobicContact CG-CG1 4.16Å; L80-V97 WeakPolarHBondContact CD1-O 3.33Å; L81-V97 WeakPolarHBondContact CB-O 3.49Å; L81-V97 HydrophobicContact CD1-CG1 4.28Å; L81-V97 PolarHBondContact N-O 2.99Å; G82-V97 PolarHBondContact O-N 2.94Å; F84-V97 HydrophobicContact CD2-CB 4Å; F84-V97 HydrophobicContact CD2-CG2 3.5Å; F84-V97 HydrophobicContact CE2-CB 3.9Å; F84-V97 HydrophobicContact CE2-CG2 3.89Å; F84-V97 HydrophobicContact CG-CG2 4.47Å; T95-V97 HydrophobicContact CG2-CG2 3.98Å; V97-Y141 HydrophobicContact CG1-CD2 4.01Å; V97-Y141 HydrophobicContact CG1-CG 4.1Å; V97-Y141 HydrophobicContact CG2-CD1 4Å; V97-Y141 HydrophobicContact CG2-CD2 3.84Å; V97-Y141 HydrophobicContact CG2-CE1 3.9Å; V97-Y141 HydrophobicContact CG2-CE2 3.7Å; V97-Y141 HydrophobicContact CG2-CG 3.99Å
98Y98.5Very high93.1Very high35 Ų3568.7 Ų68.714%0.13734%0.337CS..EExtended strand (participates in β ladder)trans-108.4153.8178.7-69.1-96.7000111.7A22 C23 L24 P59 A63 L77 R79 L80A22-Y98 PolarHBondContact O-N 3.12Å; C23-Y98 CarbonylContact C-O 3.51Å; C23-Y98 WeakPolarHBondContact CA-O 3.11Å; L24-Y98 PolarHBondContact N-O 3.13Å; P59-Y98 HydrophobicContact CB-CE2 4.12Å; A63-Y98 HydrophobicContact CB-CD2 3.89Å; L77-Y98 HydrophobicContact CD1-CD1 4.19Å; L77-Y98 HydrophobicContact CD1-CG 3.96Å; L77-Y98 HydrophobicContact CD2-CD1 4.36Å; L77-Y98 HydrophobicContact CG-CD1 4.3Å; R79-Y98 WeakPolarHBondContact O-CA 3.32Å; L80-Y98 HydrophobicContact CB-CD1 4.05Å; L80-Y98 HydrophobicContact CB-CE1 3.72Å; L80-Y98 HydrophobicContact CD1-CD1 4.34Å; L80-Y98 HydrophobicContact CD1-CD2 4.1Å; L80-Y98 HydrophobicContact CD1-CE1 3.99Å; L80-Y98 HydrophobicContact CD1-CE2 3.73Å; L80-Y98 HydrophobicContact CD1-CG 4.39Å; L80-Y98 HydrophobicContact CG-CE1 4.43Å
99A98.1Very high93.7Very high2 Ų265.3 Ų65.32%0.01732%0.317CS..EExtended strand (participates in β ladder)trans-81.8139.5160.500000109.2L26 G78 R79 L81L26-A99 HydrophobicContact CD1-CB 4.1Å; G78-A99 WeakPolarHBondContact CA-O 3.4Å; G78-A99 PolarHBondContact N-O 2.93Å; R79-A99 HydrophobicContact CG-CB 4.42Å; R79-A99 PolarHBondContact O-N 2.94Å; L81-A99 HydrophobicContact CD1-CB 4.48Å; L81-A99 HydrophobicContact CG-CB 4.46Å
100L98.5Very high94.8Very high1 Ų160 Ų601%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-136.6122.3174.7179.1144.4000109.5C23 L24 C25 L26 V64 V67 L77 V102C23-L100 HydrophobicContact CB-CB 3.93Å; L24-L100 PolarHBondContact O-N 2.89Å; C25-L100 CarbonylContact C-O 3.56Å; C25-L100 WeakPolarHBondContact CA-O 3.44Å; L26-L100 PolarHBondContact N-O 3.16Å; V64-L100 HydrophobicContact CG2-CD1 4.27Å; V67-L100 HydrophobicContact CG2-CD1 4.13Å; L77-L100 HydrophobicContact CD1-CD1 4.27Å; L100-V102 HydrophobicContact CD2-CG2 3.91Å; L100-V102 PolarHBondContact O-N 2.84Å
101I98.6Very high95.8Very high35 Ų3552.8 Ų52.818%0.17925%0.254CS..EExtended strand (participates in β ladder)trans-84.7114.9174.7-53.6-52.2000108.3L26 G75 K76 T103L26-I101 HydrophobicContact CB-CD1 3.91Å; L26-I101 HydrophobicContact CD1-CD1 4.12Å; G75-I101 CarbonylContact C-O 3.45Å; G75-I101 WeakPolarHBondContact CA-O 3.38Å; K76-I101 PolarHBondContact N-O 3.47Å; K76-I101 PolarHBondContact O-N 3.41Å; I101-T103 PolarHBondContact O-N 2.72Å
102V98.6Very high96.5Very high18 Ų1848.6 Ų48.611%0.10924%0.243CC..EExtended strand (participates in β ladder)trans-69.4126-177.41770000110C25 L26 V73 L100 W121C25-V102 HydrophobicContact CB-CG2 3.79Å; L26-V102 PolarHBondContact O-N 2.84Å; V73-V102 HydrophobicContact CB-CG1 4.05Å; V73-V102 HydrophobicContact CB-CG2 4.28Å; V73-V102 HydrophobicContact CG1-CG1 4.05Å; V73-V102 HydrophobicContact CG1-CG2 4.49Å; V73-V102 HydrophobicContact CG2-CG2 4.29Å; L100-V102 HydrophobicContact CD2-CG2 3.91Å; L100-V102 PolarHBondContact O-N 2.84Å; V102-W121 HydrophobicContact CB-CH2 4.05Å; V102-W121 HydrophobicContact CB-CZ2 4.38Å; V102-W121 HydrophobicContact CG1-CZ2 4.4Å; V102-W121 HydrophobicContact CG2-CH2 3.78Å; V102-W121 HydrophobicContact CG2-CZ2 4.35Å
103T98.2Very high96.5Very high106 Ų10649.2 Ų49.265%0.6525%0.254SS*.EExtended strand (participates in β ladder)trans-112.2-25.2177.258.90000112.4K74 G75 I101K74-T103 PolarHBondContact O-N 2.9Å; K74-T103 PolarHBondContact O-OG1 2.83Å; G75-T103 WeakPolarHBondContact CA-OG1 3.2Å; I101-T103 PolarHBondContact O-N 2.72Å
104E98Very high96.4Very high80 Ų8053.3 Ų53.337%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-140.7141.3-178-170.7-171142.800109.6V73 K74 L106V73-E104 WeakPolarHBondContact CA-O 3.24Å; K74-E104 HydrophobicContact CB-CB 4.15Å; K74-E104 WeakPolarHBondContact CD-OE2 3.22Å; K74-E104 PolarHBondContact N-O 3.49Å; K74-E104 VanDerWaalsContact NZ-CD 3.3Å; K74-E104 IonicContact NZ-OE1 3.74Å; K74-E104 PolarHBondContact NZ-OE1 2.89Å; K74-E104 IonicContact NZ-OE2 3.67Å; K74-E104 PolarHBondContact NZ-OE2 2.85Å; K74-E104 PolarHBondContact O-N 3.03Å; K74-E104 VanDerWaalsContact O-N 3.12Å; E104-L106 VanDerWaalsContact OE1-CD2 3.3Å; E104-L106 WeakPolarHBondContact OE1-CD2 3.39Å
105T98.1Very high96.2Very high66 Ų6653.4 Ų53.441%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-130115.1178.7-62.30000108.4V73V73-T105 HydrophobicContact CG1-CG2 4.39Å
106L97.4Very high96Very high34 Ų3455.3 Ų55.318%0.17830%0.301CS..  trans-78139.6-179.6-60.9178.4000110.9Y68 G72 E104 R119Y68-L106 HydrophobicContact CD2-CD1 4.24Å; Y68-L106 HydrophobicContact CE2-CD1 3.5Å; G72-L106 WeakPolarHBondContact O-CB 3.46Å; G72-L106 PolarHBondContact O-N 3.01Å; E104-L106 VanDerWaalsContact OE1-CD2 3.3Å; E104-L106 WeakPolarHBondContact OE1-CD2 3.39Å; L106-R119 PolarHBondContact O-NH1 2.76Å; L106-R119 PolarHBondContact O-NH2 2.59Å
107E93.6Very high95.9Very high173 Ų17353.4 Ų53.481%0.80829%0.293SS*.SBendtrans-66.4-52.1176.1-65.2-175.7169.900111.3
108D93.8Very high95.9Very high119 Ų11959.8 Ų59.864%0.63632%0.321SS*.SBendtrans-108.5137.9174-65-55.8000110.7V113D108-V113 HydrophobicContact CB-CG2 4.22Å
109W95.9Very high95.8Very high25 Ų2561 Ų6110%0.09533%0.325CS..  trans-146.3163.5177.47398.6000110.9E69 E70 G72 D111 S112 V113 R117 R119E69-W109 VanDerWaalsContact O-CD1 3.26Å; E70-W109 PolarHBondContact O-NE1 3.39Å; G72-W109 VanDerWaalsContact CA-CB 3.42Å; G72-W109 VanDerWaalsContact CA-CG 3.5Å; W109-D111 PolarHBondContact O-N 2.91Å; W109-S112 VanDerWaalsContact CE2-CB 3.42Å; W109-S112 VanDerWaalsContact CE3-CB 3.47Å; W109-S112 WeakPolarHBondContact O-CB 3.07Å; W109-S112 PolarHBondContact O-N 3.16Å; W109-V113 PolarHBondContact O-N 2.83Å; W109-R117 WeakPolarHBondContact CZ2-O 3.5Å; W109-R119 HydrophobicContact CH2-CG 3.96Å; W109-R119 HydrophobicContact CZ2-CB 4.37Å; W109-R119 HydrophobicContact CZ2-CG 4.26Å
110E92.3Very high95.8Very high86 Ų8666.2 Ų66.240%0.40235%0.347SS..Hα-helixtrans-49.5-56-169.2-173.8-178.7124.900113.2S112 V113 N114E110-S112 VanDerWaalsContact C-N 3.35Å; E110-S112 PolarHBondContact O-N 2.76Å; E110-V113 PolarHBondContact O-N 3.12Å; E110-N114 VanDerWaalsContact CG-ND2 3.26Å; E110-N114 WeakPolarHBondContact CG-ND2 3.23Å; E110-N114 WeakPolarHBondContact O-CB 3.33Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 3.27Å; E110-N114 PolarHBondContact O-ND2 3.38Å
111D93.9Very high95.8Very high2 Ų269 Ų691%0.01136%0.358CS..Hα-helixtrans-71.6-25.7-178.3-87.817000113.6K3 E69 W109 I115 G116 R117K3-D111 WeakPolarHBondContact CE-OD1 3.39Å; K3-D111 IonicContact NZ-OD1 3.33Å; K3-D111 PolarHBondContact NZ-OD1 2.79Å; K3-D111 IonicContact NZ-OD2 2.68Å; K3-D111 PolarHBondContact NZ-OD2 2.8Å; E69-D111 VanDerWaalsContact O-CB 3.32Å; E69-D111 WeakPolarHBondContact O-CB 3.17Å; E69-D111 PolarHBondContact O-N 2.99Å; E69-D111 VanDerWaalsContact O-N 3.1Å; W109-D111 PolarHBondContact O-N 2.91Å; D111-I115 HydrophobicContact CB-CD1 4.27Å; D111-I115 HydrophobicContact CB-CG1 4.1Å; D111-I115 WeakPolarHBondContact O-CG1 3.3Å; D111-I115 PolarHBondContact O-N 3.3Å; D111-I115 VanDerWaalsContact O-N 3.16Å; D111-G116 PolarHBondContact O-N 3.17Å; D111-R117 HydrophobicContact CB-CB 3.76Å; D111-R117 HydrophobicContact CB-CG 4.37Å; D111-R117 WeakPolarHBondContact O-CB 3.38Å; D111-R117 PolarHBondContact O-N 2.94Å; D111-R117 IonicContact OD2-CZ 3.34Å; D111-R117 IonicContact OD2-NE 2.81Å; D111-R117 PolarHBondContact OD2-NE 3.35Å; D111-R117 IonicContact OD2-NH2 3.31Å; D111-R117 PolarHBondContact OD2-NH2 2.89Å
112S94.2Very high95.8Very high32 Ų3268.3 Ų68.322%0.22435%0.354CS..Hα-helixtrans-64.6-50.1172.1-178.30000110.2W109 E110 G116W109-S112 VanDerWaalsContact CE2-CB 3.42Å; W109-S112 VanDerWaalsContact CE3-CB 3.47Å; W109-S112 WeakPolarHBondContact O-CB 3.07Å; W109-S112 PolarHBondContact O-N 3.16Å; E110-S112 VanDerWaalsContact C-N 3.35Å; E110-S112 PolarHBondContact O-N 2.76Å; S112-G116 WeakPolarHBondContact O-CA 3.46Å; S112-G116 PolarHBondContact O-N 3.18Å
113V93.3Very high95.8Very high99 Ų9973.3 Ų73.360%0.637%0.374SS*.Hα-helixtrans-70.4-44.3-176.4177.80000111.2D108 W109 E110D108-V113 HydrophobicContact CB-CG2 4.22Å; W109-V113 PolarHBondContact O-N 2.83Å; E110-V113 PolarHBondContact O-N 3.12Å
114N92.7Very high95.7Very high108 Ų10868.6 Ų68.658%0.57835%0.345SS*.Hα-helixtrans-80.5-34.7-171.3-69.5-22.2000113.7E110E110-N114 VanDerWaalsContact CG-ND2 3.26Å; E110-N114 WeakPolarHBondContact CG-ND2 3.23Å; E110-N114 WeakPolarHBondContact O-CB 3.33Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 3.27Å; E110-N114 PolarHBondContact O-ND2 3.38Å
115I92.5Very high95.7Very high46 Ų4670 Ų7024%0.23635%0.352CS..Hα-helixtrans-1325.1-173.866.6167.1000113.9K3 D111 R117K3-I115 HydrophobicContact CB-CD1 4.21Å; K3-I115 HydrophobicContact CD-CD1 4.23Å; D111-I115 HydrophobicContact CB-CD1 4.27Å; D111-I115 HydrophobicContact CB-CG1 4.1Å; D111-I115 WeakPolarHBondContact O-CG1 3.3Å; D111-I115 PolarHBondContact O-N 3.3Å; D111-I115 VanDerWaalsContact O-N 3.16Å; I115-R117 VanDerWaalsContact C-N 3.29Å; I115-R117 HydrophobicContact CD1-CB 4.28Å; I115-R117 HydrophobicContact CG1-CB 4.07Å; I115-R117 PolarHBondContact O-N 3.49Å
116G93.7Very high95.6Very high47 Ų4769.9 Ų69.949%0.48535%0.348SS..  trans6828.1-179.200000113.2D111 S112 K118D111-G116 PolarHBondContact O-N 3.17Å; S112-G116 WeakPolarHBondContact O-CA 3.46Å; S112-G116 PolarHBondContact O-N 3.18Å; G116-K118 PolarHBondContact O-N 3.33Å
117R96.1Very high95.7Very high7 Ų768.2 Ų68.23%0.02634%0.34CS..  trans-65.1132.9-179.1-173.3174.5-72.6-135.228.1110V37 S38 E70 W109 D111 I115V37-R117 HydrophobicContact CB-CG 4.15Å; V37-R117 VanDerWaalsContact CG2-NH1 3.3Å; S38-R117 PolarHBondContact O-NH1 3.01Å; E70-R117 WeakPolarHBondContact O-CD 3.41Å; E70-R117 IonicContact OE1-CZ 2.78Å; E70-R117 IonicContact OE1-NH1 3.39Å; E70-R117 IonicContact OE1-NH2 3.53Å; E70-R117 PolarHBondContact OE1-NH2 3.31Å; E70-R117 IonicContact OE2-CZ 2.59Å; E70-R117 IonicContact OE2-NH1 3.5Å; E70-R117 PolarHBondContact OE2-NH1 3.24Å; E70-R117 IonicContact OE2-NH2 3.46Å; E70-R117 PolarHBondContact OE2-NH2 3.46Å; W109-R117 WeakPolarHBondContact CZ2-O 3.5Å; D111-R117 HydrophobicContact CB-CB 3.76Å; D111-R117 HydrophobicContact CB-CG 4.37Å; D111-R117 WeakPolarHBondContact O-CB 3.38Å; D111-R117 PolarHBondContact O-N 2.94Å; D111-R117 IonicContact OD2-CZ 3.34Å; D111-R117 IonicContact OD2-NE 2.81Å; D111-R117 PolarHBondContact OD2-NE 3.35Å; D111-R117 IonicContact OD2-NH2 3.31Å; D111-R117 PolarHBondContact OD2-NH2 2.89Å; I115-R117 VanDerWaalsContact C-N 3.29Å; I115-R117 HydrophobicContact CD1-CB 4.28Å; I115-R117 HydrophobicContact CG1-CB 4.07Å; I115-R117 PolarHBondContact O-N 3.49Å
118K97.1Very high95.8Very high135 Ų13561.9 Ų61.959%0.58731%0.311SS*.  trans-98.1156.9176.5-58.8177.2-176.8176.90110V37 S38 W46 G116V37-K118 CarbonylContact C-O 3.54Å; V37-K118 WeakPolarHBondContact CA-O 3.22Å; S38-K118 PolarHBondContact N-O 3.05Å; S38-K118 PolarHBondContact OG-N 2.77Å; W46-K118 HydrophobicContact CH2-CB 4.24Å; W46-K118 HydrophobicContact CZ3-CB 4.49Å; G116-K118 PolarHBondContact O-N 3.33Å
119R97.7Very high95.9Very high61 Ų6163.8 Ų63.823%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-132.6150.1170.471.5-172.7178.9-156.9-13.9110.5L35 L36 V37 A71 G72 L106 W109L35-R119 HydrophobicContact CD1-CB 4.07Å; L35-R119 HydrophobicContact CD1-CG 4.19Å; L35-R119 HydrophobicContact CG-CB 4.37Å; L36-R119 CarbonylContact O-C 3.08Å; L36-R119 VanDerWaalsContact O-CA 3.24Å; L36-R119 WeakPolarHBondContact O-CA 3.27Å; V37-R119 HydrophobicContact CG1-CB 4.02Å; A71-R119 WeakPolarHBondContact O-CD 3.34Å; A71-R119 PolarHBondContact O-NH1 2.88Å; G72-R119 PolarHBondContact O-NH1 3.09Å; G72-R119 VanDerWaalsContact O-NH1 3.09Å; L106-R119 PolarHBondContact O-NH1 2.76Å; L106-R119 PolarHBondContact O-NH2 2.59Å; W109-R119 HydrophobicContact CH2-CG 3.96Å; W109-R119 HydrophobicContact CZ2-CB 4.37Å; W109-R119 HydrophobicContact CZ2-CG 4.26Å
120K98.3Very high96Very high110 Ų11065 Ų6548%0.47832%0.319SS..EExtended strand (participates in β ladder)trans-154.3139.8179178.3176.6175.8-172.60110.7L36 W46 F122L36-K120 PolarHBondContact N-O 3.4Å; L36-K120 PolarHBondContact O-N 3.42Å; W46-K120 HydrophobicContact CH2-CB 3.57Å; W46-K120 HydrophobicContact CH2-CD 4.44Å; W46-K120 HydrophobicContact CZ2-CB 4.17Å; W46-K120 HydrophobicContact CZ2-CD 4.25Å; W46-K120 HydrophobicContact CZ3-CB 3.79Å; K120-F122 HydrophobicContact CB-CD2 4.38Å; K120-F122 HydrophobicContact CB-CE2 3.69Å; K120-F122 HydrophobicContact CB-CZ 4.3Å; K120-F122 HydrophobicContact CD-CE1 4.34Å; K120-F122 HydrophobicContact CD-CE2 3.94Å; K120-F122 HydrophobicContact CD-CZ 3.72Å; K120-F122 HydrophobicContact CG-CD2 4.25Å; K120-F122 HydrophobicContact CG-CE2 3.74Å; K120-F122 HydrophobicContact CG-CZ 4.07Å; K120-F122 VanDerWaalsContact O-CD2 3.23Å; K120-F122 WeakPolarHBondContact O-CD2 3.1Å
121W98.5Very high96.2Very high60 Ų6060.9 Ų60.923%0.22730%0.3CS..EExtended strand (participates in β ladder)trans-75.8136.6170.8-69.5104.6000110.6C25 R27 E33 V34 L35 V102C25-W121 VanDerWaalsContact O-CZ3 3.32Å; C25-W121 WeakPolarHBondContact O-CZ3 3.07Å; R27-W121 HydrophobicContact CB-CE3 4Å; R27-W121 HydrophobicContact CB-CH2 3.85Å; R27-W121 HydrophobicContact CB-CZ2 4.47Å; R27-W121 HydrophobicContact CB-CZ3 3.58Å; R27-W121 HydrophobicContact CG-CE3 4.45Å; R27-W121 HydrophobicContact CG-CH2 4.17Å; R27-W121 HydrophobicContact CG-CZ2 4.32Å; R27-W121 HydrophobicContact CG-CZ3 4.24Å; R27-W121 VanDerWaalsContact N-CZ3 3.33Å; E33-W121 HydrophobicContact CB-CE3 4.24Å; V34-W121 VanDerWaalsContact C-CE3 3.48Å; L35-W121 HydrophobicContact CB-CD2 4.17Å; L35-W121 HydrophobicContact CB-CE3 3.86Å; L35-W121 HydrophobicContact CB-CH2 3.91Å; L35-W121 HydrophobicContact CB-CZ2 4.21Å; L35-W121 HydrophobicContact CB-CZ3 3.72Å; L35-W121 HydrophobicContact CD1-CD2 3.89Å; L35-W121 HydrophobicContact CD1-CE3 4.43Å; L35-W121 HydrophobicContact CD1-CG 4.07Å; L35-W121 HydrophobicContact CD1-CZ2 4.31Å; V102-W121 HydrophobicContact CB-CH2 4.05Å; V102-W121 HydrophobicContact CB-CZ2 4.38Å; V102-W121 HydrophobicContact CG1-CZ2 4.4Å; V102-W121 HydrophobicContact CG2-CH2 3.78Å; V102-W121 HydrophobicContact CG2-CZ2 4.35Å
122F98.4Very high96.2Very high20 Ų2066.1 Ų66.19%0.08832%0.324CS..EExtended strand (participates in β ladder)trans-130.9146175.5-70.6-95.5000108.9E33 V34 L36 W46 K120 D126 A127 V130E33-F122 CarbonylContact C-O 3.49Å; E33-F122 VanDerWaalsContact CA-O 3.22Å; E33-F122 WeakPolarHBondContact CA-O 3.42Å; V34-F122 PolarHBondContact N-O 3.46Å; V34-F122 PolarHBondContact O-N 2.92Å; L36-F122 HydrophobicContact CB-CD2 3.94Å; L36-F122 HydrophobicContact CB-CE2 3.95Å; L36-F122 HydrophobicContact CD1-CD2 3.8Å; L36-F122 HydrophobicContact CD1-CE2 4.06Å; L36-F122 HydrophobicContact CD1-CG 4.26Å; L36-F122 HydrophobicContact CG-CD2 3.85Å; L36-F122 HydrophobicContact CG-CE2 4.28Å; W46-F122 AromaticContact CD1-CZ 3.85Å; W46-F122 AromaticContact CD2-CE2 3.83Å; W46-F122 HydrophobicContact CD2-CE2 3.83Å; W46-F122 AromaticContact CD2-CZ 3.78Å; W46-F122 HydrophobicContact CD2-CZ 3.78Å; W46-F122 AromaticContact CE2-CZ 3.72Å; W46-F122 HydrophobicContact CE3-CE2 4.03Å; W46-F122 HydrophobicContact CE3-CZ 4.42Å; W46-F122 HydrophobicContact CG-CE2 4.14Å; W46-F122 AromaticContact CG-CZ 3.89Å; W46-F122 HydrophobicContact CG-CZ 3.89Å; W46-F122 HydrophobicContact CZ2-CZ 4.3Å; W46-F122 AromaticContact NE1-CZ 3.75Å; K120-F122 HydrophobicContact CB-CD2 4.38Å; K120-F122 HydrophobicContact CB-CE2 3.69Å; K120-F122 HydrophobicContact CB-CZ 4.3Å; K120-F122 HydrophobicContact CD-CE1 4.34Å; K120-F122 HydrophobicContact CD-CE2 3.94Å; K120-F122 HydrophobicContact CD-CZ 3.72Å; K120-F122 HydrophobicContact CG-CD2 4.25Å; K120-F122 HydrophobicContact CG-CE2 3.74Å; K120-F122 HydrophobicContact CG-CZ 4.07Å; K120-F122 VanDerWaalsContact O-CD2 3.23Å; K120-F122 WeakPolarHBondContact O-CD2 3.1Å; F122-D126 HydrophobicContact CD1-CB 4.3Å; F122-A127 HydrophobicContact CB-CB 3.86Å; F122-V130 HydrophobicContact CE1-CG1 4.37Å; F122-V130 HydrophobicContact CE1-CG2 4.36Å
123K98.1Very high95.9Very high123 Ų12368.1 Ų68.154%0.53534%0.338SS..EExtended strand (participates in β ladder)trans-60.6146.4159.7-65.8-176.6175.4-175.10109.2D32 E125 D126 A127D32-K123 CarbonylContact O-C 3.6Å; D32-K123 WeakPolarHBondContact O-CA 3.36Å; K123-E125 PolarHBondContact O-N 3.31Å; K123-D126 HydrophobicContact CB-CB 4.37Å; K123-D126 WeakPolarHBondContact O-CB 3.09Å; K123-D126 PolarHBondContact O-N 3.21Å; K123-A127 WeakPolarHBondContact O-CB 3.13Å; K123-A127 PolarHBondContact O-N 2.95Å
124V97.3Very high95.8Very high8 Ų868 Ų685%0.04833%0.331CS..Hα-helixtrans-54.3-41.5-177.8169.50000111.7E31 D32 D126 A127 I128 L142 L145E31-V124 VanDerWaalsContact O-CG2 3.28Å; E31-V124 WeakPolarHBondContact O-CG2 3.37Å; D32-V124 PolarHBondContact O-N 3.44Å; V124-D126 PolarHBondContact O-N 2.92Å; V124-A127 WeakPolarHBondContact O-CB 3.32Å; V124-A127 PolarHBondContact O-N 3.06Å; V124-I128 HydrophobicContact CG1-CD1 3.99Å; V124-I128 WeakPolarHBondContact O-CG1 3.49Å; V124-I128 PolarHBondContact O-N 2.94Å; V124-L142 HydrophobicContact CG1-CB 4.28Å; V124-L142 HydrophobicContact CG1-CD2 4.2Å; V124-L142 HydrophobicContact CG2-CD2 4.39Å; V124-L145 HydrophobicContact CG2-CD2 4.29Å
125E96.3Very high95.8Very high110 Ų11065.6 Ų65.651%0.51432%0.316SS..Hα-helixtrans-66.7-38.2179.5-58.275.4-166.800112.2K123 R129K123-E125 PolarHBondContact O-N 3.31Å; E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.49Å
126D97.4Very high95.9Very high62 Ų6266.7 Ų66.733%0.33233%0.326SS..Hα-helixtrans-68.3-41174.5-73.4-39.6000111.3F122 K123 V124 I128 R129 V130F122-D126 HydrophobicContact CD1-CB 4.3Å; K123-D126 HydrophobicContact CB-CB 4.37Å; K123-D126 WeakPolarHBondContact O-CB 3.09Å; K123-D126 PolarHBondContact O-N 3.21Å; V124-D126 PolarHBondContact O-N 2.92Å; D126-I128 PolarHBondContact O-N 2.85Å; D126-R129 WeakPolarHBondContact O-CB 3.32Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 IonicContact OD1-CZ 3.38Å; D126-R129 IonicContact OD1-NE 3.33Å; D126-R129 PolarHBondContact OD1-NE 3.03Å; D126-R129 IonicContact OD1-NH2 2.64Å; D126-R129 PolarHBondContact OD1-NH2 3.44Å; D126-V130 PolarHBondContact O-N 2.88Å
127A97.9Very high96Very high0 Ų065.6 Ų65.60%031%0.31CS..Hα-helixtrans-60.4-44.4177.100000111.4V34 L36 F122 K123 V124 R129 V130 L131 L142V34-A127 HydrophobicContact CG1-CB 3.46Å; V34-A127 VanDerWaalsContact CG1-CB 3.46Å; L36-A127 HydrophobicContact CD1-CB 3.96Å; L36-A127 HydrophobicContact CG-CB 4.5Å; F122-A127 HydrophobicContact CB-CB 3.86Å; K123-A127 WeakPolarHBondContact O-CB 3.13Å; K123-A127 PolarHBondContact O-N 2.95Å; V124-A127 WeakPolarHBondContact O-CB 3.32Å; V124-A127 PolarHBondContact O-N 3.06Å; A127-R129 PolarHBondContact O-N 3.17Å; A127-V130 VanDerWaalsContact O-CG2 3.28Å; A127-V130 WeakPolarHBondContact O-CG2 3.03Å; A127-V130 PolarHBondContact O-N 2.78Å; A127-L131 WeakPolarHBondContact O-CB 3.38Å; A127-L131 WeakPolarHBondContact O-CD1 3.48Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.78Å; A127-L142 HydrophobicContact CB-CD1 3.53Å
128I97.2Very high96Very high39 Ų3966.1 Ų66.120%0.231%0.312CS..Hα-helixtrans-57.5-49.4174.4-70165000110.3V124 D126 V130 L131 Q132 A139 L142V124-I128 HydrophobicContact CG1-CD1 3.99Å; V124-I128 WeakPolarHBondContact O-CG1 3.49Å; V124-I128 PolarHBondContact O-N 2.94Å; D126-I128 PolarHBondContact O-N 2.85Å; I128-V130 PolarHBondContact O-N 3.1Å; I128-L131 PolarHBondContact O-N 3Å; I128-Q132 WeakPolarHBondContact O-CB 3.33Å; I128-Q132 PolarHBondContact O-N 2.78Å; I128-A139 HydrophobicContact CG2-CB 4.41Å; I128-L142 HydrophobicContact CD1-CB 4Å; I128-L142 HydrophobicContact CG1-CB 3.53Å; I128-L142 HydrophobicContact CG1-CD1 4.02Å; I128-L142 HydrophobicContact CG1-CG 4.43Å
129R96.3Very high96Very high159 Ų15959.7 Ų59.760%0.628%0.284SS*.Hα-helixtrans-57.6-46.6-179.7-74.8-175.7-82.3-1025112.7E125 D126 A127E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.49Å; D126-R129 WeakPolarHBondContact O-CB 3.32Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 IonicContact OD1-CZ 3.38Å; D126-R129 IonicContact OD1-NE 3.33Å; D126-R129 PolarHBondContact OD1-NE 3.03Å; D126-R129 IonicContact OD1-NH2 2.64Å; D126-R129 PolarHBondContact OD1-NH2 3.44Å; A127-R129 PolarHBondContact O-N 3.17Å
130V96.6Very high95.9Very high50 Ų5061 Ų6130%0.30329%0.293SS..Hα-helixtrans-73.8-26.6-178.1-58.70000113L36 W46 F122 D126 A127 I128 S133L36-V130 HydrophobicContact CD1-CG2 3.91Å; W46-V130 HydrophobicContact CB-CG2 4.34Å; F122-V130 HydrophobicContact CE1-CG1 4.37Å; F122-V130 HydrophobicContact CE1-CG2 4.36Å; D126-V130 PolarHBondContact O-N 2.88Å; A127-V130 VanDerWaalsContact O-CG2 3.28Å; A127-V130 WeakPolarHBondContact O-CG2 3.03Å; A127-V130 PolarHBondContact O-N 2.78Å; I128-V130 PolarHBondContact O-N 3.1Å; V130-S133 PolarHBondContact O-OG 3.16Å
131L96.4Very high95.9Very high1 Ų156 Ų561%0.00527%0.272CS..Hα-helixtrans-81.8-34.3178.3-70.9167.4000112.2L36 W46 V48 A127 I128 S133 H134 K135 H138 A139 L142L36-L131 HydrophobicContact CD1-CD1 4.14Å; L36-L131 HydrophobicContact CD1-CD2 4.4Å; L36-L131 HydrophobicContact CD1-CG 4.16Å; L36-L131 HydrophobicContact CD2-CD1 4.14Å; W46-L131 VanDerWaalsContact O-CD2 3.23Å; W46-L131 WeakPolarHBondContact O-CD2 3.41Å; V48-L131 HydrophobicContact CG2-CD1 4.1Å; A127-L131 WeakPolarHBondContact O-CB 3.38Å; A127-L131 WeakPolarHBondContact O-CD1 3.48Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.78Å; I128-L131 PolarHBondContact O-N 3Å; L131-S133 PolarHBondContact O-N 3.25Å; L131-S133 VanDerWaalsContact O-N 3.12Å; L131-H134 PolarHBondContact O-N 3.3Å; L131-K135 HydrophobicContact CD2-CB 4.22Å; L131-K135 CarbonylContact O-C 3.51Å; L131-K135 WeakPolarHBondContact O-CA 3.31Å; L131-K135 PolarHBondContact O-N 3.11Å; L131-H138 HydrophobicContact CD1-CB 4.1Å; L131-H138 HydrophobicContact CD2-CB 3.95Å; L131-H138 HydrophobicContact CG-CB 4.44Å; L131-A139 HydrophobicContact CB-CB 3.91Å; L131-L142 HydrophobicContact CD1-CD1 3.54Å
132Q94.2Very high95.7Very high111 Ų11153.2 Ų53.252%0.51926%0.261SS..Hα-helixtrans-55.9-35.1-174.1-168.666.210.400113.2I128 H134 A139I128-Q132 WeakPolarHBondContact O-CB 3.33Å; I128-Q132 PolarHBondContact O-N 2.78Å; Q132-H134 PolarHBondContact O-N 3.01Å; Q132-A139 VanDerWaalsContact OE1-CB 3.29Å
133S88.7Confident95.5Very high74 Ų7454.7 Ų54.752%0.51727%0.273SS..THydrogen-bonded Turntrans-69.3-32.8-176.661.50000113.6V130 L131V130-S133 PolarHBondContact O-OG 3.16Å; L131-S133 PolarHBondContact O-N 3.25Å; L131-S133 VanDerWaalsContact O-N 3.12Å
134H90.4Very high95.3Very high96 Ų9653.9 Ų53.944%0.44427%0.267SS..THydrogen-bonded Turntrans-135.3-14.9-166.2-55.2-25.2000114.4Q45 L131 Q132Q45-H134 PolarHBondContact NE2-CD2 3.37Å; L131-H134 PolarHBondContact O-N 3.3Å; Q132-H134 PolarHBondContact O-N 3.01Å
135K93.6Very high95.1Very high58 Ų5853.6 Ų53.625%0.25227%0.265SS..  trans-144.763.2177.6-63.6-63.4168.8-63.60110.5I47 L131 V137 H138 A139I47-K135 HydrophobicContact CG2-CD 4.4Å; I47-K135 HydrophobicContact CG2-CG 3.86Å; L131-K135 HydrophobicContact CD2-CB 4.22Å; L131-K135 CarbonylContact O-C 3.51Å; L131-K135 WeakPolarHBondContact O-CA 3.31Å; L131-K135 PolarHBondContact O-N 3.11Å; K135-V137 PolarHBondContact O-N 2.97Å; K135-V137 VanDerWaalsContact O-N 3.16Å; K135-H138 HydrophobicContact CB-CB 3.92Å; K135-H138 WeakPolarHBondContact O-CA 3.5Å; K135-H138 WeakPolarHBondContact O-CB 3.39Å; K135-H138 PolarHBondContact O-N 3.23Å; K135-A139 PolarHBondContact O-N 3.01Å
136P94.1Very high94.5Very high70 Ų7050.5 Ų50.546%0.45526%0.258SS..Hα-helixtrans-57.3-34.7-176.522.7-34.2000113.5H138 A139 E140P136-H138 VanDerWaalsContact C-N 3.29Å; P136-H138 PolarHBondContact O-N 3.09Å; P136-A139 WeakPolarHBondContact O-CB 3.21Å; P136-A139 PolarHBondContact O-N 2.84Å; P136-A139 VanDerWaalsContact O-N 3.09Å; P136-E140 PolarHBondContact O-N 3.31Å
137V94.8Very high93.7Very high24 Ų2452.8 Ų52.815%0.14527%0.27CS..Hα-helixtrans-62.4-35.1174.8178.60000112F84 Q86 K135 A139 E140 Y141F84-V137 HydrophobicContact CB-CG1 4.36Å; Q86-V137 HydrophobicContact CB-CG2 4.38Å; Q86-V137 HydrophobicContact CG-CG2 4.26Å; K135-V137 PolarHBondContact O-N 2.97Å; K135-V137 VanDerWaalsContact O-N 3.16Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-E140 VanDerWaalsContact O-CB 3.3Å; V137-E140 WeakPolarHBondContact O-CB 3.48Å; V137-E140 PolarHBondContact O-N 2.68Å; V137-Y141 HydrophobicContact CG1-CE1 3.62Å; V137-Y141 WeakPolarHBondContact O-CD1 3.11Å; V137-Y141 WeakPolarHBondContact O-CE1 3.21Å; V137-Y141 PolarHBondContact O-N 3.41Å
138H96.9Very high92.2Very high17 Ų1756.1 Ų56.18%0.07929%0.291CS..Hα-helixtrans-71.8-31.4175.6-69.4-132.2000111.8V48 L131 K135 P136 E140 Y141V48-H138 WeakPolarHBondContact CB-ND1 3.26Å; V48-H138 HydrophobicContact CG2-CB 3.97Å; V48-H138 PolarHBondContact N-ND1 2.88Å; V48-H138 VanDerWaalsContact N-ND1 3.17Å; L131-H138 HydrophobicContact CD1-CB 4.1Å; L131-H138 HydrophobicContact CD2-CB 3.95Å; L131-H138 HydrophobicContact CG-CB 4.44Å; K135-H138 HydrophobicContact CB-CB 3.92Å; K135-H138 WeakPolarHBondContact O-CA 3.5Å; K135-H138 WeakPolarHBondContact O-CB 3.39Å; K135-H138 PolarHBondContact O-N 3.23Å; P136-H138 VanDerWaalsContact C-N 3.29Å; P136-H138 PolarHBondContact O-N 3.09Å; H138-E140 VanDerWaalsContact C-N 3.31Å; H138-Y141 HydrophobicContact CB-CD2 4.42Å; H138-Y141 HydrophobicContact CB-CE2 4.41Å; H138-Y141 WeakPolarHBondContact O-CB 3.37Å; H138-Y141 PolarHBondContact O-N 2.9Å
139A96.8Very high90.3Very high0 Ų057.7 Ų57.70%030%0.304CS..Hα-helixtrans-65.6-37.4172.100000111I128 L131 Q132 K135 P136 V137 Y141 L142 C143I128-A139 HydrophobicContact CG2-CB 4.41Å; L131-A139 HydrophobicContact CB-CB 3.91Å; Q132-A139 VanDerWaalsContact OE1-CB 3.29Å; K135-A139 PolarHBondContact O-N 3.01Å; P136-A139 WeakPolarHBondContact O-CB 3.21Å; P136-A139 PolarHBondContact O-N 2.84Å; P136-A139 VanDerWaalsContact O-N 3.09Å; V137-A139 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 3.43Å; A139-L142 WeakPolarHBondContact O-CB 3.11Å; A139-L142 PolarHBondContact O-N 3.45Å; A139-C143 PolarHBondContact O-N 2.87Å; A139-C143 PolarHBondContact O-SG 2.89Å
140E96.1Very high88Confident90 Ų9054 Ų5442%0.42130%0.303SS..Hα-helixtrans-58.2-34.1174.5-161.8-170.8156.900112.8F84 P136 V137 H138 L142 C143 R144F84-E140 HydrophobicContact CD1-CG 4.32Å; F84-E140 HydrophobicContact CE1-CB 4.37Å; F84-E140 HydrophobicContact CE1-CG 4Å; P136-E140 PolarHBondContact O-N 3.31Å; V137-E140 VanDerWaalsContact O-CB 3.3Å; V137-E140 WeakPolarHBondContact O-CB 3.48Å; V137-E140 PolarHBondContact O-N 2.68Å; H138-E140 VanDerWaalsContact C-N 3.31Å; E140-L142 VanDerWaalsContact C-N 3.28Å; E140-L142 PolarHBondContact O-N 3.44Å; E140-C143 PolarHBondContact O-N 2.81Å; E140-R144 PolarHBondContact O-N 2.8Å
141Y97Very high85.4Confident5 Ų556.5 Ų56.52%0.0232%0.32CS..Hα-helixtrans-59.5-42.8175.7-55.2-10.6000111.3V48 F84 V97 V137 H138 A139 R144 L145V48-Y141 HydrophobicContact CB-CD2 4.41Å; V48-Y141 HydrophobicContact CG1-CD2 4.33Å; V48-Y141 HydrophobicContact CG2-CD2 4.24Å; F84-Y141 HydrophobicContact CB-CD1 4.12Å; F84-Y141 HydrophobicContact CB-CE1 3.37Å; F84-Y141 AromaticContact CD1-CD1 3.53Å; F84-Y141 HydrophobicContact CD1-CD1 3.53Å; F84-Y141 AromaticContact CD1-CE1 3.64Å; F84-Y141 HydrophobicContact CD1-CE1 3.64Å; F84-Y141 AromaticContact CD2-CD1 3.57Å; F84-Y141 HydrophobicContact CD2-CD1 3.57Å; F84-Y141 AromaticContact CD2-CE1 3.61Å; F84-Y141 HydrophobicContact CD2-CE1 3.61Å; F84-Y141 AromaticContact CE1-CD1 3.69Å; F84-Y141 HydrophobicContact CE1-CD1 3.69Å; F84-Y141 HydrophobicContact CE1-CE1 4.28Å; F84-Y141 AromaticContact CE2-CD1 3.73Å; F84-Y141 HydrophobicContact CE2-CD1 3.73Å; F84-Y141 HydrophobicContact CE2-CE1 4.25Å; F84-Y141 HydrophobicContact CE2-CG 4.44Å; F84-Y141 AromaticContact CG-CD1 3.46Å; F84-Y141 HydrophobicContact CG-CD1 3.46Å; F84-Y141 VanDerWaalsContact CG-CD1 3.46Å; F84-Y141 AromaticContact CG-CE1 3.24Å; F84-Y141 HydrophobicContact CG-CE1 3.24Å; F84-Y141 AromaticContact CZ-CD1 3.78Å; F84-Y141 HydrophobicContact CZ-CD1 3.78Å; V97-Y141 HydrophobicContact CG1-CD2 4.01Å; V97-Y141 HydrophobicContact CG1-CG 4.1Å; V97-Y141 HydrophobicContact CG2-CD1 4Å; V97-Y141 HydrophobicContact CG2-CD2 3.84Å; V97-Y141 HydrophobicContact CG2-CE1 3.9Å; V97-Y141 HydrophobicContact CG2-CE2 3.7Å; V97-Y141 HydrophobicContact CG2-CG 3.99Å; V137-Y141 HydrophobicContact CG1-CE1 3.62Å; V137-Y141 WeakPolarHBondContact O-CD1 3.11Å; V137-Y141 WeakPolarHBondContact O-CE1 3.21Å; V137-Y141 PolarHBondContact O-N 3.41Å; H138-Y141 HydrophobicContact CB-CD2 4.42Å; H138-Y141 HydrophobicContact CB-CE2 4.41Å; H138-Y141 WeakPolarHBondContact O-CB 3.37Å; H138-Y141 PolarHBondContact O-N 2.9Å; A139-Y141 PolarHBondContact O-N 3.43Å; Y141-R144 PolarHBondContact O-N 2.89Å; Y141-L145 PolarHBondContact O-N 3.25Å
142L96.1Very high82.8Confident0 Ų062.4 Ų62.40%036%0.359CS..Hα-helixtrans-75.1-35180-70163.9000111.9L24 V34 V124 A127 I128 L131 A139 E140 R144 L145 A146L24-L142 HydrophobicContact CD1-CD2 3.97Å; L24-L142 HydrophobicContact CD1-CG 4.45Å; L24-L142 HydrophobicContact CD2-CD2 4.09Å; L24-L142 HydrophobicContact CD2-CG 4.3Å; V34-L142 HydrophobicContact CB-CD2 4.17Å; V34-L142 HydrophobicContact CG1-CD1 4.48Å; V34-L142 HydrophobicContact CG1-CD2 3.85Å; V34-L142 HydrophobicContact CG2-CD2 4.19Å; V124-L142 HydrophobicContact CG1-CB 4.28Å; V124-L142 HydrophobicContact CG1-CD2 4.2Å; V124-L142 HydrophobicContact CG2-CD2 4.39Å; A127-L142 HydrophobicContact CB-CD1 3.53Å; I128-L142 HydrophobicContact CD1-CB 4Å; I128-L142 HydrophobicContact CG1-CB 3.53Å; I128-L142 HydrophobicContact CG1-CD1 4.02Å; I128-L142 HydrophobicContact CG1-CG 4.43Å; L131-L142 HydrophobicContact CD1-CD1 3.54Å; A139-L142 WeakPolarHBondContact O-CB 3.11Å; A139-L142 PolarHBondContact O-N 3.45Å; E140-L142 VanDerWaalsContact C-N 3.28Å; E140-L142 PolarHBondContact O-N 3.44Å; L142-R144 VanDerWaalsContact C-N 3.32Å; L142-L145 HydrophobicContact CD2-CD2 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 2.74Å; L142-A146 PolarHBondContact O-N 2.8Å
143C94.3Very high80.4Confident51 Ų5167.5 Ų67.535%0.34538%0.375SS..Hα-helixtrans-59.8-45.1169.7-63.80000110.7A139 E140 L145 A146 D147A139-C143 PolarHBondContact O-N 2.87Å; A139-C143 PolarHBondContact O-SG 2.89Å; E140-C143 PolarHBondContact O-N 2.81Å; C143-L145 VanDerWaalsContact C-N 3.3Å; C143-L145 PolarHBondContact O-N 3.38Å; C143-A146 PolarHBondContact O-N 3.34Å; C143-A146 VanDerWaalsContact O-N 3.16Å; C143-D147 PolarHBondContact O-N 3.34Å
144R93.9Very high78Confident106 Ų10667 Ų6740%0.438%0.382SS..Hα-helixtrans-61.6-38.1176.3-175.762.264.6956.3112.4F84 E140 Y141 L142 D147 T148F84-R144 HydrophobicContact CE1-CB 4.45Å; F84-R144 HydrophobicContact CZ-CB 3.92Å; F84-R144 HydrophobicContact CZ-CG 4.15Å; E140-R144 PolarHBondContact O-N 2.8Å; Y141-R144 PolarHBondContact O-N 2.89Å; L142-R144 VanDerWaalsContact C-N 3.32Å; R144-D147 PolarHBondContact O-N 3.03Å; R144-T148 WeakPolarHBondContact O-CG2 3.49Å; R144-T148 PolarHBondContact O-N 3.19Å; R144-T148 PolarHBondContact O-OG1 2.86Å
145L91.2Very high75.9Confident3 Ų368.7 Ų68.72%0.01640%0.401CS..Hα-helixtrans-57.8-50.5174-174.175.9000110.5L24 L26 E31 L81 V124 Y141 L142 C143 D147 T148 C149L24-L145 HydrophobicContact CD1-CB 3.92Å; L24-L145 HydrophobicContact CD1-CD1 4.23Å; L24-L145 HydrophobicContact CD1-CD2 3.99Å; L24-L145 HydrophobicContact CD1-CG 4.29Å; L26-L145 HydrophobicContact CD1-CD1 4.18Å; L26-L145 HydrophobicContact CD1-CD2 4.44Å; L26-L145 HydrophobicContact CD2-CD2 3.72Å; E31-L145 HydrophobicContact CB-CD2 4.34Å; E31-L145 VanDerWaalsContact OE2-CD1 3.24Å; E31-L145 WeakPolarHBondContact OE2-CD1 3.38Å; L81-L145 HydrophobicContact CD1-CD1 3.92Å; L81-L145 HydrophobicContact CD2-CD1 3.87Å; V124-L145 HydrophobicContact CG2-CD2 4.29Å; Y141-L145 PolarHBondContact O-N 3.25Å; L142-L145 HydrophobicContact CD2-CD2 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 2.74Å; C143-L145 VanDerWaalsContact C-N 3.3Å; C143-L145 PolarHBondContact O-N 3.38Å; L145-D147 PolarHBondContact O-N 3.01Å; L145-T148 PolarHBondContact O-N 2.92Å; L145-T148 VanDerWaalsContact O-N 3.16Å; L145-T148 PolarHBondContact O-OG1 2.94Å; L145-C149 PolarHBondContact O-N 2.94Å; L145-C149 PolarHBondContact O-SG 3.24Å
146A83.7Confident73.4Confident45 Ų4572 Ų7237%0.37243%0.425SS..Hα-helixtrans-62.4-38.9-179.900000113.1L142 C143 T148 C149L142-A146 PolarHBondContact O-N 2.8Å; C143-A146 PolarHBondContact O-N 3.34Å; C143-A146 VanDerWaalsContact O-N 3.16Å; A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 2.87Å; A146-C149 PolarHBondContact O-N 3.22Å; A146-C149 VanDerWaalsContact O-N 3.14Å
147D81Confident70.4Confident110 Ų11074.6 Ų74.659%0.58844%0.444SS*.Hα-helixtrans-62.6-36.6176.1-67-24.7000111.8C143 R144 L145 C149 S150C143-D147 PolarHBondContact O-N 3.34Å; R144-D147 PolarHBondContact O-N 3.03Å; L145-D147 PolarHBondContact O-N 3.01Å; D147-C149 VanDerWaalsContact C-N 3.27Å; D147-C149 PolarHBondContact O-N 3.36Å; D147-S150 PolarHBondContact O-N 3.21Å
148T67.2Low67.4Low69 Ų6977.8 Ų77.842%0.42347%0.467SS..Hα-helixtrans-75-14.4177.460.20000114.3R79 R144 L145 A146R79-T148 PolarHBondContact NH2-OG1 2.92Å; R144-T148 WeakPolarHBondContact O-CG2 3.49Å; R144-T148 PolarHBondContact O-N 3.19Å; R144-T148 PolarHBondContact O-OG1 2.86Å; L145-T148 PolarHBondContact O-N 2.92Å; L145-T148 VanDerWaalsContact O-N 3.16Å; L145-T148 PolarHBondContact O-OG1 2.94Å; A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 2.87Å
149C57.2Low64.6Low72 Ų7283.2 Ų83.249%0.48650%0.503SS..THydrogen-bonded Turntrans-89.5-6.7175.8-69.20000113.1E31 L145 A146 D147E31-C149 PolarHBondContact OE2-SG 3.39Å; E31-C149 VanDerWaalsContact OE2-SG 3.35Å; L145-C149 PolarHBondContact O-N 2.94Å; L145-C149 PolarHBondContact O-SG 3.24Å; A146-C149 PolarHBondContact O-N 3.22Å; A146-C149 VanDerWaalsContact O-N 3.14Å; D147-C149 VanDerWaalsContact C-N 3.27Å; D147-C149 PolarHBondContact O-N 3.36Å
150S48.4Very low61.7Low81 Ų8193.8 Ų93.857%0.56654%0.543SS*.SBendtrans-81.4128.4173.1-63.80000110D147D147-S150 PolarHBondContact O-N 3.21Å
151P41.9Very low58.9Low104 Ų10496.3 Ų96.368%0.67557%0.565SS**  trans-61.5150.7174.824.7-31.6000110.5Y153P151-Y153 PolarHBondContact O-N 2.9Å
152P41.7Very low55.9Low125 Ų125104.1 Ų104.181%0.81260%0.603SS**SBendtrans-74.132.7-171.131.2-36.3000114.9
153Y42.4Very low53.1Low218 Ų218111.6 Ų111.686%0.85564%0.643SS**  trans-123.995.1176.7-80.3-84.9000111.4P151P151-Y153 PolarHBondContact O-N 2.9Å
154G39.8Very low50.2Low64 Ų64114.4 Ų114.466%0.6666%0.664SS**SBendtrans173.7132.6167.500000111
155P45.4Very low47.4Very low130 Ų130118.6 Ų118.684%0.84469%0.685SS**  trans-71.3136.5-162.529.3-32.8000111.6C157P155-C157 PolarHBondContact O-N 3.35Å
156V40.6Very low44.6Very low127 Ų127123 Ų12377%0.7772%0.722SS**  trans-50.8106.8168-179.20000109C158V156-C158 PolarHBondContact O-N 3.42Å
157C31.8Very low42.5Very low125 Ų125125.9 Ų125.985%0.84574%0.737SS**  trans-85.686.8168.7-151.30000107.8P155P155-C157 PolarHBondContact O-N 3.35Å
158C32.9Very low40.2Very low92 Ų92128.8 Ų128.862%0.62275%0.746SS**  trans-62132.4163.4-66.70000108.4V156 R160V156-C158 PolarHBondContact O-N 3.42Å; C158-R160 PolarHBondContact O-N 3.16Å
159P37.7Very low38.5Very low130 Ų130135 Ų13584%0.84476%0.763SS**  trans-69.9107.3169.17.82.1000108.6T161P159-T161 PolarHBondContact O-N 3.46Å
160R34.8Very low37.4Very low222 Ų222137.9 Ų137.984%0.83878%0.778SS**  trans-68.5118.9159.6-82.9-178.1-162.2-138.90.9107.5C158 M162C158-R160 PolarHBondContact O-N 3.16Å; R160-M162 PolarHBondContact O-N 3.13Å
161T38.6Very low36.7Very low143 Ų143139.5 Ų139.588%0.87779%0.785SS**  trans-50.2117.5156.433.90000109P159P159-T161 PolarHBondContact O-N 3.46Å
162M34.2Very low36.2Very low169 Ų169140.7 Ų140.783%0.83379%0.794SS**  trans-110.3101.3164.7-77.6-156.2151.800108.2R160 S164R160-M162 PolarHBondContact O-N 3.13Å; M162-S164 PolarHBondContact O-N 2.99Å
163D35.8Very low35.9Very low157 Ų157140 Ų14084%0.8479%0.792SS**  trans-72.3112.8161.2-167.83.4000107.3
164S33.3Very low35.7Very low111 Ų111133.7 Ų133.778%0.77679%0.785SS**  trans-10692.2179.559.10000109.4M162M162-S164 PolarHBondContact O-N 2.99Å
165K35Very low35.5Very low194 Ų194139.2 Ų139.284%0.84379%0.794SS**  trans-114.4113.1158.8-98.8-176.6179177.50110.7
166A34.2Very low35Very low95 Ų95140 Ų14079%0.78579%0.791SS**  trans70.2129.1156.900000119.4
167P39.2Very low35.1Very low106 Ų106138.7 Ų138.769%0.68879%0.787SS**  trans-109.6160.1132.435.3-25.3000109.6
168H32.8Very low35.5Very low171 Ų171141 Ų14179%0.79279%0.786SS**  -177.5113.6124.3-94.2-74.5000110.5
169Y30.5Very low35.9Very low199 Ų199143.8 Ų143.878%0.7879%0.794SS**  trans57.8127.6146.1-100.7-101.9000120.8
170V33.4Very low36Very low132 Ų132146 Ų14680%0.879%0.79SS**  -172.7137.995158.20000109.1
171V35.3Very low36.2Very low115 Ų115142 Ų14270%0.69779%0.785SS**  trans-81.5137.6172.4172.20000109.5
172C31.3Very low36.4Very low130 Ų130150 Ų15088%0.87880%0.799SS**  trans-152.6132.4146.7-130.20000111.1
173S34.3Very low36.5Very low109 Ų109149.1 Ų149.176%0.76280%0.798SS**  trans-94.6145.6-177.629.90000111.4
174A38.6Very low36.6Very low86 Ų86148.6 Ų148.671%0.71180%0.796SS**  trans170.9110.2148.600000107
175Q36.4Very low36.8Very low181 Ų181150.7 Ų150.785%0.84680%0.797SS**  76.1115.696.3-78.9-175.2-22.600114.7
176D34.3Very low36.9Very low146 Ų146148.2 Ų148.278%0.78179%0.794SS**  trans87.5147132.5-102.3-46.6000123.9
177S41.8Very low37Very low99 Ų99151.5 Ų151.569%0.69280%0.795SS**  trans78.1102.6160.562.10000119.9
178E40.9Very low36.9Very low175 Ų175154.5 Ų154.582%0.81880%0.802SS**  12.8129.1121.2-57.7-174.6128.500118
179L42.1Very low37.2Very low150 Ų150153.4 Ų153.479%0.78580%0.802SS**  163.2137.2111-91.9154.8000112.2
180F39.8Very low37.7Very low176 Ų176149.8 Ų149.877%0.77280%0.804SS**  trans83.2104142.9-116.1-106.3000122
181N38.1Very low38.1Very low137 Ų137151.3 Ų151.373%0.73380%0.804SS**  14.7110.8121.6-99.5-2.4000118
182R43.6Very low38.3Very low312 Ų312154.6 Ų154.6100%1.17781%0.814SS**  1700103.1-97.1-177.7176.1-173.3-0.3111

Retrieved 182 of 182 residues in 118.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).