RL15_MOUSE Loading...

Large ribosomal subunit protein eL15

Component of the large ribosomal subunit1. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell2.

AlphaFold DB , UniProt , Accession Q9CZM2, Species MOUSE (Mus musculus, Mouse), Gene Rpl15, Length 204 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
1M61.6Low92.2Very high180 Ų18081.7 Ų81.789%0.88742%0.422SS*.  0133.40-73.1-176.1-170.600109.3Y6M1-Y6 HydrophobicContact CB-CE2 3.59Å; M1-Y6 HydrophobicContact SD-CE1 4.38Å
2G90.6Very high92.5Very high51 Ų5186.8 Ų86.853%0.52643%0.432SS..  trans-78.5152.4179.200000113.7Y4 K5G2-Y4 PolarHBondContact O-N 3.26Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 3.34Å
3A95Very high92.9Very high71 Ų7191.9 Ų91.959%0.58745%0.45SS*.Hα-helixtrans-50.1-38.1-177.300000114.3K5 Y6 I7A3-K5 PolarHBondContact O-N 2.87Å; A3-Y6 PolarHBondContact O-N 2.99Å; A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.29Å; A3-I7 VanDerWaalsContact O-N 3.11Å
4Y95.6Very high93.1Very high113 Ų11390.9 Ų90.944%0.44344%0.442SS..Hα-helixtrans-61-28.5177.6-67.4-59.6000114.1G2 Q8 P45 D46G2-Y4 PolarHBondContact O-N 3.26Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-Q8 WeakPolarHBondContact O-CB 3.47Å; Y4-Q8 PolarHBondContact O-N 3.37Å; Y4-P45 HydrophobicContact CE1-CB 4.36Å; Y4-D46 HydrophobicContact CD1-CB 4.18Å
5K95.7Very high93.4Very high86 Ų8694.9 Ų94.937%0.37446%0.459SS..Hα-helixtrans-68.7-45.3176.7-178.957.5168.9162.30110.5G2 A3 Q8 E9G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 3.34Å; A3-K5 PolarHBondContact O-N 2.87Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 3.01Å; K5-E9 WeakPolarHBondContact CE-OE1 3.36Å; K5-E9 IonicContact NZ-OE1 3.26Å; K5-E9 PolarHBondContact NZ-OE1 2.82Å; K5-E9 WeakPolarHBondContact O-CG 3.4Å; K5-E9 PolarHBondContact O-N 3.16Å
6Y96.5Very high93.7Very high135 Ų13591.6 Ų91.653%0.52945%0.449SS..Hα-helixtrans-62.2-45.2175.6-65.8-81.7000112.2M1 A3 Q8 E9 L10M1-Y6 HydrophobicContact CB-CE2 3.59Å; M1-Y6 HydrophobicContact SD-CE1 4.38Å; A3-Y6 PolarHBondContact O-N 2.99Å; Y6-Q8 VanDerWaalsContact C-N 3.27Å; Y6-Q8 PolarHBondContact O-N 3Å; Y6-E9 PolarHBondContact O-N 3.25Å; Y6-E9 VanDerWaalsContact O-N 3.12Å; Y6-L10 PolarHBondContact O-N 3.44Å
7I95.6Very high93.9Very high51 Ų5192.9 Ų92.926%0.26246%0.459SS..Hα-helixtrans-57.9-43.5175.2-63170.2000110.2A3 E9 L10 W11 D46A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.29Å; A3-I7 VanDerWaalsContact O-N 3.11Å; I7-E9 PolarHBondContact O-N 2.8Å; I7-L10 PolarHBondContact O-N 2.76Å; I7-W11 PolarHBondContact O-N 3.46Å; I7-D46 HydrophobicContact CB-CB 4.15Å; I7-D46 HydrophobicContact CG2-CB 3.76Å; I7-D46 WeakPolarHBondContact CG2-OD1 3.32Å
8Q96Very high94.1Very high31 Ų3192.9 Ų92.915%0.14547%0.465CS..Hα-helixtrans-61.1-42.9176.5177.8-175.7-3.100112.5Y4 K5 Y6 W11 R12Y4-Q8 WeakPolarHBondContact O-CB 3.47Å; Y4-Q8 PolarHBondContact O-N 3.37Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 3.01Å; Y6-Q8 VanDerWaalsContact C-N 3.27Å; Y6-Q8 PolarHBondContact O-N 3Å; Q8-W11 PolarHBondContact O-N 3.1Å; Q8-R12 WeakPolarHBondContact O-CG 3.37Å; Q8-R12 PolarHBondContact O-N 3.33Å
9E96.1Very high94.2Very high66 Ų6688.4 Ų88.431%0.30844%0.442SS..Hα-helixtrans-66.1-38.2178.6-62.6-49.5147.400111.8K5 Y6 I7 W11 R12 K13K5-E9 WeakPolarHBondContact CE-OE1 3.36Å; K5-E9 IonicContact NZ-OE1 3.26Å; K5-E9 PolarHBondContact NZ-OE1 2.82Å; K5-E9 WeakPolarHBondContact O-CG 3.4Å; K5-E9 PolarHBondContact O-N 3.16Å; Y6-E9 PolarHBondContact O-N 3.25Å; Y6-E9 VanDerWaalsContact O-N 3.12Å; I7-E9 PolarHBondContact O-N 2.8Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 3.24Å; E9-R12 VanDerWaalsContact CD-NH1 3.34Å; E9-R12 WeakPolarHBondContact O-CB 3.42Å; E9-R12 PolarHBondContact O-N 2.94Å; E9-R12 VanDerWaalsContact O-N 3.07Å; E9-R12 IonicContact OE1-CZ 3.01Å; E9-R12 IonicContact OE1-NH1 2.71Å; E9-R12 PolarHBondContact OE1-NH1 2.9Å; E9-R12 WeakPolarHBondContact OE2-CD 3.23Å; E9-R12 IonicContact OE2-CZ 2.69Å; E9-R12 IonicContact OE2-NE 2.7Å; E9-R12 IonicContact OE2-NH1 3.99Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; E9-K13 PolarHBondContact O-N 2.92Å
10L95.3Very high94.4Very high101 Ų10190.6 Ų90.653%0.52945%0.445SS..Hα-helixtrans-57.1-47.8170.7-70.3172.6000111.2Y6 I7 R12 K13 M19Y6-L10 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 2.76Å; L10-R12 PolarHBondContact O-N 3.5Å; L10-K13 CarbonylContact O-C 3.59Å; L10-K13 PolarHBondContact O-N 3.3Å; L10-M19 WeakPolarHBondContact O-CG 3.38Å
11W96.3Very high94.5Very high14 Ų1492.9 Ų92.95%0.05345%0.453CS..Hα-helixtrans-69.4-14.3177.2-78.5106.8000114.4I7 Q8 E9 K14 M19 L23 R44 W120I7-W11 PolarHBondContact O-N 3.46Å; Q8-W11 PolarHBondContact O-N 3.1Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 3.24Å; W11-K14 VanDerWaalsContact O-CE 3.3Å; W11-K14 WeakPolarHBondContact O-CE 3.45Å; W11-K14 WeakPolarHBondContact O-CG 3.34Å; W11-K14 PolarHBondContact O-NZ 2.97Å; W11-M19 HydrophobicContact CD2-CE 3.82Å; W11-M19 HydrophobicContact CE3-CE 3.44Å; W11-M19 VanDerWaalsContact CE3-CE 3.44Å; W11-M19 HydrophobicContact CH2-CE 4.05Å; W11-M19 HydrophobicContact CZ2-CE 4.35Å; W11-M19 HydrophobicContact CZ3-CE 3.58Å; W11-L23 HydrophobicContact CH2-CD2 4.24Å; W11-L23 HydrophobicContact CZ3-CD2 4.01Å; W11-R44 HydrophobicContact CD2-CG 4.23Å; W11-R44 HydrophobicContact CH2-CG 3.76Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; W11-R44 HydrophobicContact CZ3-CG 4.38Å; W11-W120 HydrophobicContact CZ3-CZ3 4.12Å
12R96.1Very high96.2Very high143 Ų14387.6 Ų87.654%0.5443%0.428SS..Hα-helixtrans-76.7-41.6171.5-78.8167.3162.2-169.4-6.1110.3Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.37Å; Q8-R12 PolarHBondContact O-N 3.33Å; E9-R12 VanDerWaalsContact CD-NH1 3.34Å; E9-R12 WeakPolarHBondContact O-CB 3.42Å; E9-R12 PolarHBondContact O-N 2.94Å; E9-R12 VanDerWaalsContact O-N 3.07Å; E9-R12 IonicContact OE1-CZ 3.01Å; E9-R12 IonicContact OE1-NH1 2.71Å; E9-R12 PolarHBondContact OE1-NH1 2.9Å; E9-R12 WeakPolarHBondContact OE2-CD 3.23Å; E9-R12 IonicContact OE2-CZ 2.69Å; E9-R12 IonicContact OE2-NE 2.7Å; E9-R12 IonicContact OE2-NH1 3.99Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; L10-R12 PolarHBondContact O-N 3.5Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.41Å
13K97.1Very high96.5Very high153 Ų15386.3 Ų86.367%0.66541%0.408SS*.  trans-83.256.9177.2-62-173.9178.5-175.70113E9 L10 Q15 S16 M19E9-K13 PolarHBondContact O-N 2.92Å; L10-K13 CarbonylContact O-C 3.59Å; L10-K13 PolarHBondContact O-N 3.3Å; K13-Q15 PolarHBondContact O-N 3.37Å; K13-Q15 VanDerWaalsContact O-N 3.11Å; K13-S16 PolarHBondContact O-N 2.79Å; K13-S16 VanDerWaalsContact O-N 3.11Å; K13-S16 PolarHBondContact O-OG 3.14Å; K13-M19 WeakPolarHBondContact O-CG 3.48Å
14K96.3Very high96.6Very high77 Ų7792.5 Ų92.534%0.33542%0.417SS..THydrogen-bonded Turntrans-64-17.9-175.7-60.6-177.2-170.5590115.1W11 R12 M19 W120W11-K14 VanDerWaalsContact O-CE 3.3Å; W11-K14 WeakPolarHBondContact O-CE 3.45Å; W11-K14 WeakPolarHBondContact O-CG 3.34Å; W11-K14 PolarHBondContact O-NZ 2.97Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.41Å; K14-M19 WeakPolarHBondContact O-CB 3.35Å; K14-W120 HydrophobicContact CD-CH2 4.14Å; K14-W120 HydrophobicContact CD-CZ3 3.85Å
15Q97.3Very high96.7Very high151 Ų15190.6 Ų90.671%0.70642%0.416SS*.THydrogen-bonded Turntrans-88.6-5.5178.8-61.9-59.6-2100113.2K13 R20K13-Q15 PolarHBondContact O-N 3.37Å; K13-Q15 VanDerWaalsContact O-N 3.11Å; Q15-R20 WeakPolarHBondContact O-CD 3.48Å; Q15-R20 PolarHBondContact O-NE 3.04Å
16S97.5Very high96.8Very high43 Ų4389.4 Ų89.430%0.30141%0.41SS..SBendtrans-63.2152.3173.767.80000111K13 V18 M19 R20K13-S16 PolarHBondContact O-N 2.79Å; K13-S16 VanDerWaalsContact O-N 3.11Å; K13-S16 PolarHBondContact O-OG 3.14Å; S16-V18 VanDerWaalsContact C-N 3.26Å; S16-V18 PolarHBondContact O-N 3.26Å; S16-M19 PolarHBondContact O-N 2.88Å; S16-M19 WeakPolarHBondContact OG-CG 3.44Å; S16-M19 PolarHBondContact OG-N 2.72Å; S16-R20 WeakPolarHBondContact O-CG 3.43Å; S16-R20 PolarHBondContact O-N 3.11Å
17D97.7Very high96.8Very high114 Ų11483.6 Ų83.661%0.6139%0.389SS*.Hα-helixtrans-55.8-43.7-178.7-59.9-38000112.1M19 R20 F21D17-M19 PolarHBondContact O-N 3.04Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 IonicContact OD1-CZ 2.7Å; D17-R20 IonicContact OD1-NE 2.94Å; D17-R20 IonicContact OD1-NH2 3.49Å; D17-R20 PolarHBondContact OD1-NH2 2.99Å; D17-F21 WeakPolarHBondContact O-CB 3.08Å; D17-F21 PolarHBondContact O-N 3.11Å
18V97Very high96.9Very high93 Ų9389.1 Ų89.156%0.56441%0.406SS*.Hα-helixtrans-55.6-49.6175.5-179.50000111.2S16 L22S16-V18 VanDerWaalsContact C-N 3.26Å; S16-V18 PolarHBondContact O-N 3.26Å; V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 WeakPolarHBondContact O-CB 3.41Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.14Å
19M96.9Very high97Very high7 Ų792.3 Ų92.33%0.03442%0.421CS..Hα-helixtrans-70.8-37.9-178.5-75.9-57.5-52.400112.3L10 W11 K13 K14 S16 D17 L23L10-M19 WeakPolarHBondContact O-CG 3.38Å; W11-M19 HydrophobicContact CD2-CE 3.82Å; W11-M19 HydrophobicContact CE3-CE 3.44Å; W11-M19 VanDerWaalsContact CE3-CE 3.44Å; W11-M19 HydrophobicContact CH2-CE 4.05Å; W11-M19 HydrophobicContact CZ2-CE 4.35Å; W11-M19 HydrophobicContact CZ3-CE 3.58Å; K13-M19 WeakPolarHBondContact O-CG 3.48Å; K14-M19 WeakPolarHBondContact O-CB 3.35Å; S16-M19 PolarHBondContact O-N 2.88Å; S16-M19 WeakPolarHBondContact OG-CG 3.44Å; S16-M19 PolarHBondContact OG-N 2.72Å; D17-M19 PolarHBondContact O-N 3.04Å; M19-L23 HydrophobicContact CE-CD1 4.35Å; M19-L23 HydrophobicContact CE-CG 4.34Å; M19-L23 VanDerWaalsContact O-CB 3.29Å; M19-L23 WeakPolarHBondContact O-CB 3.35Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 2.73Å
20R97.2Very high97.1Very high131 Ų13189.3 Ų89.349%0.49441%0.407SS..Hα-helixtrans-63.2-47.1176.8-72.2-169.8-73.1170.9-9111.2Q15 S16 D17 L23 R24Q15-R20 WeakPolarHBondContact O-CD 3.48Å; Q15-R20 PolarHBondContact O-NE 3.04Å; S16-R20 WeakPolarHBondContact O-CG 3.43Å; S16-R20 PolarHBondContact O-N 3.11Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 IonicContact OD1-CZ 2.7Å; D17-R20 IonicContact OD1-NE 2.94Å; D17-R20 IonicContact OD1-NH2 3.49Å; D17-R20 PolarHBondContact OD1-NH2 2.99Å; R20-L23 PolarHBondContact O-N 2.77Å; R20-R24 WeakPolarHBondContact O-CB 3.26Å; R20-R24 PolarHBondContact O-N 3.04Å
21F97.6Very high97.1Very high140 Ų14089 Ų8961%0.61440%0.399SS*.Hα-helixtrans-58.5-52.7175.8177.2-98.9000111.5D17 L23 R24 V25D17-F21 WeakPolarHBondContact O-CB 3.08Å; D17-F21 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact C-N 3.35Å; F21-L23 PolarHBondContact O-N 3.47Å; F21-R24 WeakPolarHBondContact O-CB 3.38Å; F21-R24 PolarHBondContact O-N 3.32Å; F21-V25 HydrophobicContact CE1-CG2 4.32Å; F21-V25 HydrophobicContact CE2-CG2 4.35Å; F21-V25 HydrophobicContact CZ-CG2 4.14Å; F21-V25 PolarHBondContact O-N 3.3Å; F21-V25 VanDerWaalsContact O-N 3.13Å
22L97.1Very high97.2Very high69 Ų6994.6 Ų94.636%0.36143%0.426SS..Hα-helixtrans-60.4-41.2179.9-72.7174.7000112.9V18 R26V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 WeakPolarHBondContact O-CB 3.41Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.14Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.31Å; L22-R26 WeakPolarHBondContact O-CG 3.36Å; L22-R26 PolarHBondContact O-N 3.18Å; L22-R26 VanDerWaalsContact O-N 3.09Å
23L97.1Very high97.2Very high23 Ų2390.9 Ų90.912%0.1242%0.416CS..Hα-helixtrans-68.9-36.7178.3-74.5173.2000112.1W11 M19 R20 F21 R26 C27 W120 V121W11-L23 HydrophobicContact CH2-CD2 4.24Å; W11-L23 HydrophobicContact CZ3-CD2 4.01Å; M19-L23 HydrophobicContact CE-CD1 4.35Å; M19-L23 HydrophobicContact CE-CG 4.34Å; M19-L23 VanDerWaalsContact O-CB 3.29Å; M19-L23 WeakPolarHBondContact O-CB 3.35Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 2.73Å; R20-L23 PolarHBondContact O-N 2.77Å; F21-L23 VanDerWaalsContact C-N 3.35Å; F21-L23 PolarHBondContact O-N 3.47Å; L23-R26 PolarHBondContact O-N 3.33Å; L23-C27 VanDerWaalsContact O-CB 3.32Å; L23-C27 WeakPolarHBondContact O-CB 3.29Å; L23-C27 PolarHBondContact O-N 3.31Å; L23-C27 PolarHBondContact O-SG 3.15Å; L23-C27 VanDerWaalsContact O-SG 3.32Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 4.12Å; L23-W120 HydrophobicContact CD2-CZ3 4.49Å; L23-V121 WeakPolarHBondContact CD2-O 3.32Å
24R97.4Very high97.2Very high202 Ų20287 Ų8776%0.76241%0.408SS*.Hα-helixtrans-60.8-51.2175.9-174.5178.6-177175.60.3111.3R20 F21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.26Å; R20-R24 PolarHBondContact O-N 3.04Å; F21-R24 WeakPolarHBondContact O-CB 3.38Å; F21-R24 PolarHBondContact O-N 3.32Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.07Å; R24-C27 PolarHBondContact O-N 3.09Å; R24-W28 PolarHBondContact O-N 2.75Å
25V97.8Very high97.3Very high72 Ų7285.7 Ų85.744%0.43641%0.412SS..Hα-helixtrans-61.3-43.7179.11770000111F21 W28 Q29F21-V25 HydrophobicContact CE1-CG2 4.32Å; F21-V25 HydrophobicContact CE2-CG2 4.35Å; F21-V25 HydrophobicContact CZ-CG2 4.14Å; F21-V25 PolarHBondContact O-N 3.3Å; F21-V25 VanDerWaalsContact O-N 3.13Å; V25-W28 PolarHBondContact O-N 2.99Å; V25-Q29 PolarHBondContact O-N 3Å
26R97.4Very high97.3Very high62 Ų6280 Ų8023%0.23439%0.386CS..Hα-helixtrans-63.7-45.9176.9-77.4176.3177.3165-0.9112.7L22 L23 R24 W28 Q29 Y30L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.31Å; L22-R26 WeakPolarHBondContact O-CG 3.36Å; L22-R26 PolarHBondContact O-N 3.18Å; L22-R26 VanDerWaalsContact O-N 3.09Å; L23-R26 PolarHBondContact O-N 3.33Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.07Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 3.12Å; R26-Q29 PolarHBondContact O-N 3.08Å; R26-Y30 HydrophobicContact CB-CE1 4.34Å; R26-Y30 HydrophobicContact CB-CE2 3.98Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 VanDerWaalsContact O-CD1 3.25Å; R26-Y30 WeakPolarHBondContact O-CD1 3.31Å; R26-Y30 WeakPolarHBondContact O-CD2 3.41Å; R26-Y30 PolarHBondContact O-N 3.08Å
27C96.8Very high97.3Very high13 Ų1379.4 Ų79.49%0.08838%0.378CS..Hα-helixtrans-61.3-39.2178.2-76.80000111.4L23 R24 Y30 R31 E123L23-C27 VanDerWaalsContact O-CB 3.32Å; L23-C27 WeakPolarHBondContact O-CB 3.29Å; L23-C27 PolarHBondContact O-N 3.31Å; L23-C27 PolarHBondContact O-SG 3.15Å; L23-C27 VanDerWaalsContact O-SG 3.32Å; R24-C27 PolarHBondContact O-N 3.09Å; C27-Y30 PolarHBondContact O-N 3.46Å; C27-R31 WeakPolarHBondContact O-CG 3.32Å; C27-R31 PolarHBondContact O-N 3.33Å; C27-R31 VanDerWaalsContact O-N 3.12Å; C27-E123 PolarHBondContact SG-O 2.89Å; C27-E123 VanDerWaalsContact SG-O 3.4Å
28W97.7Very high97.3Very high166 Ų16681.8 Ų81.863%0.62938%0.379SS*.Hα-helixtrans-58.8-52.2171.8170.584.6000111.4R24 V25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 2.75Å; V25-W28 PolarHBondContact O-N 2.99Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 3.12Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.43Å; W28-R31 WeakPolarHBondContact O-CB 3.48Å; W28-R31 PolarHBondContact O-N 2.99Å; W28-R31 VanDerWaalsContact O-N 3.15Å; W28-Q32 PolarHBondContact O-N 3.29Å
29Q97.7Very high97.4Very high98 Ų9877.5 Ų77.546%0.45835%0.353SS..Hα-helixtrans-58.1-44.2178.3-172.1-174.422.200111.8V25 R26 R31 Q32 L33V25-Q29 PolarHBondContact O-N 3Å; R26-Q29 PolarHBondContact O-N 3.08Å; Q29-R31 PolarHBondContact O-N 3.38Å; Q29-Q32 PolarHBondContact O-N 3.47Å; Q29-L33 PolarHBondContact O-N 3.45Å
30Y97.6Very high97.3Very high3 Ų383.1 Ų83.11%0.01239%0.39CS..Hα-helixtrans-68.3-22.1-178-59.5-13.4000113.4R26 C27 W28 T43 R63 V121 F129R26-Y30 HydrophobicContact CB-CE1 4.34Å; R26-Y30 HydrophobicContact CB-CE2 3.98Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 VanDerWaalsContact O-CD1 3.25Å; R26-Y30 WeakPolarHBondContact O-CD1 3.31Å; R26-Y30 WeakPolarHBondContact O-CD2 3.41Å; R26-Y30 PolarHBondContact O-N 3.08Å; C27-Y30 PolarHBondContact O-N 3.46Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.43Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.48Å; Y30-T43 PolarHBondContact OH-OG1 3.11Å; Y30-R63 VanDerWaalsContact CD1-NH1 3.35Å; Y30-R63 VanDerWaalsContact CZ-CZ 3.45Å; Y30-R63 PolarHBondContact OH-NH2 3.29Å; Y30-V121 HydrophobicContact CE2-CG2 3.97Å; Y30-F129 VanDerWaalsContact CB-CE1 3.47Å; Y30-F129 HydrophobicContact CD2-CB 4.13Å; Y30-F129 HydrophobicContact CD2-CD1 4.02Å; Y30-F129 HydrophobicContact CD2-CD2 4.27Å; Y30-F129 AromaticContact CD2-CG 3.89Å; Y30-F129 HydrophobicContact CD2-CG 3.89Å; Y30-F129 HydrophobicContact CG-CD1 4.29Å; Y30-F129 HydrophobicContact CG-CE1 4.49Å
31R96.2Very high97.3Very high94 Ų9486.2 Ų86.236%0.35540%0.402SS..Hα-helixtrans-71.3-35.8173.1-80.1-177.2169.9-132.7-3.1112.4C27 W28 Q29 L33 R65 D124 T126 F129C27-R31 WeakPolarHBondContact O-CG 3.32Å; C27-R31 PolarHBondContact O-N 3.33Å; C27-R31 VanDerWaalsContact O-N 3.12Å; W28-R31 WeakPolarHBondContact O-CB 3.48Å; W28-R31 PolarHBondContact O-N 2.99Å; W28-R31 VanDerWaalsContact O-N 3.15Å; Q29-R31 PolarHBondContact O-N 3.38Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-R65 PolarHBondContact O-NH1 3.07Å; R31-D124 IonicContact CZ-OD1 3.04Å; R31-D124 IonicContact CZ-OD2 3.76Å; R31-D124 VanDerWaalsContact CZ-OD2 3.32Å; R31-D124 IonicContact NE-OD1 3.89Å; R31-D124 IonicContact NE-OD2 2.61Å; R31-D124 PolarHBondContact NE-OD2 2.85Å; R31-D124 IonicContact NH2-OD1 2.81Å; R31-D124 PolarHBondContact NH2-OD1 3.38Å; R31-D124 IonicContact NH2-OD2 3.43Å; R31-D124 PolarHBondContact NH2-OD2 2.91Å; R31-D124 VanDerWaalsContact NH2-OD2 3.13Å; R31-T126 PolarHBondContact NH2-OG1 3.04Å; R31-F129 HydrophobicContact CG-CZ 4.26Å
32Q97.4Very high97.3Very high133 Ų13380.3 Ų80.362%0.62138%0.378SS*.Hα-helixtrans-72.3-26.5178.9-53.1-52-26.600112.6W28 Q29W28-Q32 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 3.47Å
33L97.1Very high97.3Very high64 Ų6478 Ų7834%0.33537%0.366SS..SBendtrans-79.4161178.2-60.8173.6000112.1Q29 R31 H37 R65Q29-L33 PolarHBondContact O-N 3.45Å; R31-L33 VanDerWaalsContact C-N 3.32Å; L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.31Å; L33-R65 PolarHBondContact O-NH1 2.86Å
34S97.5Very high97.3Very high72 Ų7278 Ų7850%0.50337%0.365SS..  trans-60.1156.7175.670.70000111.8L36 H37S34-L36 PolarHBondContact O-N 3.25Å; S34-L36 VanDerWaalsContact O-N 3.09Å; S34-L36 PolarHBondContact OG-O 3.17Å; S34-H37 PolarHBondContact O-ND1 3.4Å; S34-H37 VanDerWaalsContact O-ND1 3.08Å
35A97.5Very high97.3Very high49 Ų4970.8 Ų70.841%0.40534%0.344SS..SBendtrans-58.5-29.2-174.100000113.6I64 R65A35-I64 WeakPolarHBondContact O-CA 3.26Å; A35-R65 HydrophobicContact CB-CG 4.08Å; A35-R65 PolarHBondContact O-N 3.26Å
36L98Very high97.3Very high33 Ų3367.7 Ų67.717%0.17333%0.325CS..EExtended strand (participates in β ladder)trans-136.3118.4172.5175.269.1000108S34 Y62 R63 I64 A106 H109S34-L36 PolarHBondContact O-N 3.25Å; S34-L36 VanDerWaalsContact O-N 3.09Å; S34-L36 PolarHBondContact OG-O 3.17Å; L36-Y62 HydrophobicContact CD1-CD1 3.81Å; L36-Y62 HydrophobicContact CD1-CG 4.33Å; L36-Y62 HydrophobicContact CG-CD1 3.98Å; L36-R63 WeakPolarHBondContact CA-O 3.36Å; L36-I64 HydrophobicContact CB-CG1 4.48Å; L36-I64 HydrophobicContact CD1-CB 3.82Å; L36-I64 HydrophobicContact CD1-CD1 4.2Å; L36-I64 HydrophobicContact CD1-CG1 4.18Å; L36-A106 HydrophobicContact CD1-CB 4.13Å; L36-H109 HydrophobicContact CD2-CB 3.31Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.3Å
37H97.8Very high97.3Very high29 Ų2967.6 Ų67.613%0.13433%0.326CS..EExtended strand (participates in β ladder)trans-139.8155.6177.457.8-87.8000111L33 S34 Y62 R63L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.31Å; S34-H37 PolarHBondContact O-ND1 3.4Å; S34-H37 VanDerWaalsContact O-ND1 3.08Å; H37-Y62 CarbonylContact O-C 3.58Å; H37-Y62 WeakPolarHBondContact O-CA 3.42Å; H37-R63 PolarHBondContact N-O 2.95Å; H37-R63 PolarHBondContact NE2-NH1 2.87Å; H37-R63 PolarHBondContact O-N 3.49Å
38R97.6Very high97.4Very high164 Ų16467 Ų6762%0.61932%0.322SS*.EExtended strand (participates in β ladder)trans-74.1128.7173.9-172.9177.1176.6-171.7-0.6109.7Y62R38-Y62 HydrophobicContact CB-CD1 4.48Å; R38-Y62 HydrophobicContact CB-CE1 4.13Å; R38-Y62 HydrophobicContact CB-CE2 4.19Å; R38-Y62 HydrophobicContact CG-CD2 4.49Å; R38-Y62 HydrophobicContact CG-CE2 4.12Å
39A97.3Very high97.3Very high3 Ų366.2 Ų66.23%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-90.9133.4170.400000109R41 I61A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.01Å; A39-I61 HydrophobicContact CB-CB 4.46Å; A39-I61 HydrophobicContact CB-CG2 4.11Å; A39-I61 PolarHBondContact N-O 3.34Å
40P96.3Very high97.3Very high125 Ų12568.3 Ų68.381%0.81232%0.323SS*.SBendtrans-66.8-32.2-17924.6-33.2000112.5
41R96.7Very high97.3Very high196 Ų19669.7 Ų69.774%0.7433%0.33SS*.SBendtrans-145.7155.9179.259.7-179.1176.4167-2.1110.6A39 T43A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.01Å; R41-T43 PolarHBondContact O-N 3.11Å
42P97.8Very high97.3Very high17 Ų1766.7 Ų66.711%0.1133%0.328CS..  trans-61.2130.8174.921.3-29.9000110.5R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 3.13Å; P42-P45 HydrophobicContact CG-CB 4.26Å; P42-A48 HydrophobicContact CB-CB 3.72Å; P42-A48 HydrophobicContact CG-CB 4.31Å; P42-Y53 HydrophobicContact CG-CD1 4.24Å; P42-Y53 HydrophobicContact CG-CE1 3.84Å; P42-I61 HydrophobicContact CB-CD1 3.39Å; P42-I61 HydrophobicContact CG-CD1 3.88Å; P42-Y119 WeakPolarHBondContact CB-OH 3.31Å
43T97.5Very high97.3Very high20 Ų2062.3 Ų62.312%0.12331%0.307CS..SBendtrans-63.6-28.2170.5-60.40000111.1Y30 R41 R63 E131Y30-T43 WeakPolarHBondContact OH-CG2 3.48Å; Y30-T43 PolarHBondContact OH-OG1 3.11Å; R41-T43 PolarHBondContact O-N 3.11Å; T43-R63 PolarHBondContact OG1-NH2 2.88Å; T43-E131 VanDerWaalsContact CB-OE1 3.3Å; T43-E131 WeakPolarHBondContact CB-OE1 3.41Å; T43-E131 PolarHBondContact N-OE1 2.91Å; T43-E131 PolarHBondContact N-OE2 2.8Å; T43-E131 PolarHBondContact OG1-OE1 2.91Å
44R97Very high97.3Very high24 Ų2463 Ų639%0.09131%0.307CS..  trans-124.379.5-179.2-63.6-171.859.5-171.6-0.5110.8W11 P42 D46 K47 A48 Y119 W120W11-R44 HydrophobicContact CD2-CG 4.23Å; W11-R44 HydrophobicContact CH2-CG 3.76Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; W11-R44 HydrophobicContact CZ3-CG 4.38Å; P42-R44 PolarHBondContact O-N 3.13Å; R44-D46 IonicContact NH2-OD2 3.69Å; R44-D46 PolarHBondContact O-N 3.36Å; R44-K47 HydrophobicContact CB-CB 3.82Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.15Å; R44-A48 WeakPolarHBondContact O-CB 3.26Å; R44-A48 PolarHBondContact O-N 3.35Å; R44-Y119 HydrophobicContact CB-CD2 4.23Å; R44-Y119 HydrophobicContact CB-CE2 3.81Å; R44-Y119 HydrophobicContact CG-CE2 4.29Å; R44-W120 PolarHBondContact NH1-O 2.87Å
45P97Very high97.3Very high50 Ų5064 Ų6433%0.32532%0.32SS..Hα-helixtrans-60.8-33.9-178.324.1-33.6000112.5Y4 P42 K47 R49Y4-P45 HydrophobicContact CE1-CB 4.36Å; P42-P45 HydrophobicContact CG-CB 4.26Å; P45-K47 PolarHBondContact O-N 3.2Å; P45-R49 WeakPolarHBondContact O-CB 3.05Å; P45-R49 PolarHBondContact O-N 2.62Å
46D97.3Very high97.2Very high6 Ų664.4 Ų64.43%0.03231%0.312CS..Hα-helixtrans-57.9-47173.869.2-56.9000112.2Y4 I7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.18Å; I7-D46 HydrophobicContact CB-CB 4.15Å; I7-D46 HydrophobicContact CG2-CB 3.76Å; I7-D46 WeakPolarHBondContact CG2-OD1 3.32Å; R44-D46 IonicContact NH2-OD2 3.69Å; R44-D46 PolarHBondContact O-N 3.36Å; D46-R50 PolarHBondContact O-N 3.43Å
47K97.8Very high97.1Very high61 Ų6169.5 Ų69.527%0.26534%0.336SS..Hα-helixtrans-77.9-42.7-175.4-175.558.6177.5175.70110.9R44 P45 R50 L51 Y119R44-K47 HydrophobicContact CB-CB 3.82Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.15Å; P45-K47 PolarHBondContact O-N 3.2Å; K47-R50 PolarHBondContact O-N 3.37Å; K47-L51 HydrophobicContact CD-CD1 4.32Å; K47-L51 HydrophobicContact CG-CD1 4.22Å; K47-L51 WeakPolarHBondContact O-CG 3.28Å; K47-L51 PolarHBondContact O-N 2.98Å; K47-L51 VanDerWaalsContact O-N 3.15Å; K47-Y119 HydrophobicContact CG-CD1 4.34Å; K47-Y119 HydrophobicContact CG-CD2 4.15Å; K47-Y119 HydrophobicContact CG-CG 3.79Å
48A98Very high97Very high0 Ų068.7 Ų68.70%034%0.335CS..Hα-helixtrans-59.5-46.9176.800000110.9P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.72Å; P42-A48 HydrophobicContact CG-CB 4.31Å; R44-A48 WeakPolarHBondContact O-CB 3.26Å; R44-A48 PolarHBondContact O-N 3.35Å; A48-R50 PolarHBondContact O-N 3.32Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 PolarHBondContact O-N 3.3Å; A48-G52 PolarHBondContact O-N 2.69Å; A48-Y53 HydrophobicContact CB-CD1 4.2Å; A48-Y53 HydrophobicContact CB-CG 4.17Å; A48-Y53 VanDerWaalsContact O-CB 3.3Å; A48-Y53 WeakPolarHBondContact O-CB 3.45Å; A48-Y53 PolarHBondContact O-N 3.42Å; A48-Y119 HydrophobicContact CB-CE1 3.75Å; A48-I133 HydrophobicContact CB-CD1 4.48Å
49R97.2Very high97.1Very high150 Ų15061.8 Ų61.857%0.56631%0.309SS*.Hα-helixtrans-58.4-45.9177.3-176.2177.4172.987.10.4111.9P45 L51 G52P45-R49 WeakPolarHBondContact O-CB 3.05Å; P45-R49 PolarHBondContact O-N 2.62Å; R49-L51 PolarHBondContact O-N 3.36Å; R49-G52 PolarHBondContact O-N 3.01Å
50R96.8Very high97.1Very high141 Ų14162.8 Ų62.853%0.53232%0.315SS..Hα-helixtrans-60.1-30176.2-172.8176.5-54.2171.78.7113.4D46 K47 A48 G52D46-R50 PolarHBondContact O-N 3.43Å; K47-R50 PolarHBondContact O-N 3.37Å; A48-R50 PolarHBondContact O-N 3.32Å; R50-G52 VanDerWaalsContact C-N 3.32Å
51L97.6Very high97.2Very high32 Ų3257.1 Ų57.117%0.16828%0.277CS..THydrogen-bonded Turntrans-90.55.2179.3-62.9175.3000113.3K47 A48 R49 L116 N117 S118 Y119 I133K47-L51 HydrophobicContact CD-CD1 4.32Å; K47-L51 HydrophobicContact CG-CD1 4.22Å; K47-L51 WeakPolarHBondContact O-CG 3.28Å; K47-L51 PolarHBondContact O-N 2.98Å; K47-L51 VanDerWaalsContact O-N 3.15Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 PolarHBondContact O-N 3.3Å; R49-L51 PolarHBondContact O-N 3.36Å; L51-L116 WeakPolarHBondContact O-CD2 3.47Å; L51-N117 HydrophobicContact CB-CB 4.01Å; L51-N117 HydrophobicContact CD1-CB 4.48Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.35Å; L51-S118 VanDerWaalsContact CD1-O 3.31Å; L51-S118 WeakPolarHBondContact CD1-O 3.38Å; L51-Y119 HydrophobicContact CD1-CD1 3.72Å; L51-Y119 HydrophobicContact CD1-CG 4.19Å; L51-I133 HydrophobicContact CB-CD1 3.83Å
52G96.8Very high97.3Very high31 Ų3149.9 Ų49.932%0.3225%0.25SS..THydrogen-bonded Turntrans99.58.5172.500000115.4A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 2.69Å; R49-G52 PolarHBondContact O-N 3.01Å; R50-G52 VanDerWaalsContact C-N 3.32Å; G52-Y59 WeakPolarHBondContact O-CE1 3.5Å; G52-Y59 PolarHBondContact O-OH 3.33Å
53Y97.7Very high97.3Very high42 Ų4250 Ų5017%0.16525%0.249CC..  trans-66.5132.7169.8176.2-97.9000110.6P42 A48 A55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.24Å; P42-Y53 HydrophobicContact CG-CE1 3.84Å; A48-Y53 HydrophobicContact CB-CD1 4.2Å; A48-Y53 HydrophobicContact CB-CG 4.17Å; A48-Y53 VanDerWaalsContact O-CB 3.3Å; A48-Y53 WeakPolarHBondContact O-CB 3.45Å; A48-Y53 PolarHBondContact O-N 3.42Å; Y53-A55 HydrophobicContact CE1-CB 4.27Å; Y53-Y59 AromaticContact CD2-CD1 3.87Å; Y53-Y59 HydrophobicContact CD2-CD1 3.87Å; Y53-Y59 HydrophobicContact CD2-CG 4.3Å; Y53-I61 HydrophobicContact CD2-CD1 3.88Å; Y53-I61 HydrophobicContact CD2-CG1 4.04Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.87Å; Y53-I61 HydrophobicContact CG-CD1 4.39Å; Y53-I133 HydrophobicContact CD2-CG2 4.22Å
54K96.8Very high97.3Very high77 Ų7749.3 Ų49.334%0.33524%0.244SC..  trans-122.6137.3170.3-63.6-173.7179.4-175.40108K56 Y59 D147K54-K56 HydrophobicContact CB-CG 4.16Å; K54-K56 PolarHBondContact O-N 2.71Å; K54-Y59 HydrophobicContact CB-CD2 4.44Å; K54-Y59 HydrophobicContact CB-CE2 4.1Å; K54-Y59 WeakPolarHBondContact O-CB 3.38Å; K54-D147 IonicContact NZ-OD2 2.71Å; K54-D147 PolarHBondContact NZ-OD2 2.7Å
55A95.8Very high97.4Very high95 Ų9551 Ų5179%0.78525%0.251SS*.SBendtrans-77.569.2177.500000110.5Y53Y53-A55 HydrophobicContact CE1-CB 4.27Å
56K95.4Very high97.5Very high56 Ų5648.8 Ų48.824%0.24324%0.236CC..SBendtrans-138.6163.7175.564.9171.8-176.81660109.7K54 Y59 A141 N145K54-K56 HydrophobicContact CB-CG 4.16Å; K54-K56 PolarHBondContact O-N 2.71Å; K56-Y59 HydrophobicContact CD-CE2 4.49Å; K56-Y59 VanDerWaalsContact CE-CE2 3.47Å; K56-Y59 HydrophobicContact CG-CD2 3.9Å; K56-Y59 HydrophobicContact CG-CE2 4.2Å; K56-Y59 PolarHBondContact O-N 3.43Å; K56-A141 PolarHBondContact NZ-O 2.87Å; K56-N145 VanDerWaalsContact NZ-CB 3.3Å; K56-N145 VanDerWaalsContact NZ-CG 3.27Å; K56-N145 PolarHBondContact NZ-ND2 3.07Å
57Q96.6Very high97.5Very high141 Ų14157 Ų5766%0.65927%0.266SS*.THydrogen-bonded Turntrans-57.4145.2176.2-62175.5-29.800111.8H139 A141Q57-H139 WeakPolarHBondContact CB-CE1 3.01Å; Q57-H139 PolarHBondContact OE1-CE1 2.97Å; Q57-A141 HydrophobicContact CB-CB 4.49Å
58G97Very high97.5Very high11 Ų1159.1 Ų59.111%0.11327%0.273CS..THydrogen-bonded Turntrans89.4-9.2-175.900000115.3I135 D136G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.38Å; G58-D136 PolarHBondContact O-N 3.35Å
59Y98Very high97.3Very high20 Ų2062.3 Ų62.38%0.07831%0.305CS..EExtended strand (participates in β ladder)trans-96.1132.7167-81.4-98.1000110.9G52 Y53 K54 K56 L116 I133 I135 I142 T148G52-Y59 WeakPolarHBondContact O-CE1 3.5Å; G52-Y59 PolarHBondContact O-OH 3.33Å; Y53-Y59 AromaticContact CD2-CD1 3.87Å; Y53-Y59 HydrophobicContact CD2-CD1 3.87Å; Y53-Y59 HydrophobicContact CD2-CG 4.3Å; K54-Y59 HydrophobicContact CB-CD2 4.44Å; K54-Y59 HydrophobicContact CB-CE2 4.1Å; K54-Y59 WeakPolarHBondContact O-CB 3.38Å; K56-Y59 HydrophobicContact CD-CE2 4.49Å; K56-Y59 VanDerWaalsContact CE-CE2 3.47Å; K56-Y59 HydrophobicContact CG-CD2 3.9Å; K56-Y59 HydrophobicContact CG-CE2 4.2Å; K56-Y59 PolarHBondContact O-N 3.43Å; Y59-L116 HydrophobicContact CE1-CD2 4.18Å; Y59-I133 HydrophobicContact CD1-CG2 4.04Å; Y59-I133 HydrophobicContact CE1-CG2 4.38Å; Y59-I135 HydrophobicContact CD1-CD1 4.36Å; Y59-I135 HydrophobicContact CD1-CG1 3.93Å; Y59-I135 HydrophobicContact CE1-CD1 3.69Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CG-CG1 4.49Å; Y59-I142 HydrophobicContact CD2-CD1 3.66Å; Y59-I142 HydrophobicContact CE2-CD1 3.55Å; Y59-T148 HydrophobicContact CE2-CG2 4.23Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.41Å
60V97.9Very high97.2Very high24 Ų2458.1 Ų58.115%0.14531%0.309CS..EExtended strand (participates in β ladder)trans-134.2155.3174.2-57.20000111.1Y62 L113 L134V60-Y62 HydrophobicContact CG2-CD2 4.23Å; V60-Y62 HydrophobicContact CG2-CE2 4.12Å; V60-L113 HydrophobicContact CG2-CD1 3.51Å; V60-L134 HydrophobicContact CG2-CB 3.78Å; V60-L134 HydrophobicContact CG2-CD1 4.42Å; V60-L134 PolarHBondContact N-O 2.8Å; V60-L134 PolarHBondContact O-N 2.86Å; V60-L134 VanDerWaalsContact O-O 3.11Å
61I98.3Very high97Very high5 Ų557.8 Ų57.83%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-123.3127.9177.6-60.6-179.1000108.3A39 P42 Y53 E131 V132A39-I61 HydrophobicContact CB-CB 4.46Å; A39-I61 HydrophobicContact CB-CG2 4.11Å; A39-I61 PolarHBondContact N-O 3.34Å; P42-I61 HydrophobicContact CB-CD1 3.39Å; P42-I61 HydrophobicContact CG-CD1 3.88Å; Y53-I61 HydrophobicContact CD2-CD1 3.88Å; Y53-I61 HydrophobicContact CD2-CG1 4.04Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.87Å; Y53-I61 HydrophobicContact CG-CD1 4.39Å; I61-E131 HydrophobicContact CG2-CB 3.79Å; I61-E131 HydrophobicContact CG2-CG 3.88Å; I61-V132 WeakPolarHBondContact CA-O 3.4Å
62Y98.4Very high96.9Very high45 Ų4562.9 Ų62.918%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-112136.8170.1-85.5-108.9000109.3L36 H37 R38 V60 C110 E131 V132 L134L36-Y62 HydrophobicContact CD1-CD1 3.81Å; L36-Y62 HydrophobicContact CD1-CG 4.33Å; L36-Y62 HydrophobicContact CG-CD1 3.98Å; H37-Y62 CarbonylContact O-C 3.58Å; H37-Y62 WeakPolarHBondContact O-CA 3.42Å; R38-Y62 HydrophobicContact CB-CD1 4.48Å; R38-Y62 HydrophobicContact CB-CE1 4.13Å; R38-Y62 HydrophobicContact CB-CE2 4.19Å; R38-Y62 HydrophobicContact CG-CD2 4.49Å; R38-Y62 HydrophobicContact CG-CE2 4.12Å; V60-Y62 HydrophobicContact CG2-CD2 4.23Å; V60-Y62 HydrophobicContact CG2-CE2 4.12Å; Y62-C110 VanDerWaalsContact CZ-SG 3.58Å; Y62-E131 CarbonylContact O-C 3.58Å; Y62-E131 WeakPolarHBondContact O-CA 3.4Å; Y62-V132 PolarHBondContact N-O 2.93Å; Y62-V132 PolarHBondContact O-N 2.86Å; Y62-L134 HydrophobicContact CD2-CD1 3.67Å; Y62-L134 HydrophobicContact CG-CD1 4.08Å
63R98.5Very high96.8Very high20 Ų2065 Ų658%0.07533%0.327CS..EExtended strand (participates in β ladder)trans-98.6134171.5-171179-57.1132.8-6.3109Y30 L36 H37 T43 F130 E131Y30-R63 VanDerWaalsContact CD1-NH1 3.35Å; Y30-R63 VanDerWaalsContact CZ-CZ 3.45Å; Y30-R63 PolarHBondContact OH-NH2 3.29Å; L36-R63 WeakPolarHBondContact CA-O 3.36Å; H37-R63 PolarHBondContact N-O 2.95Å; H37-R63 PolarHBondContact NE2-NH1 2.87Å; H37-R63 PolarHBondContact O-N 3.49Å; T43-R63 PolarHBondContact OG1-NH2 2.88Å; R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.44Å; R63-E131 HydrophobicContact CB-CG 4.11Å; R63-E131 HydrophobicContact CG-CG 4.18Å; R63-E131 IonicContact CZ-OE1 2.73Å; R63-E131 IonicContact NE-OE1 3.72Å; R63-E131 PolarHBondContact NE-OE1 2.88Å; R63-E131 IonicContact NH2-OE1 3.87Å; R63-E131 PolarHBondContact NH2-OE1 3.04Å
64I98.5Very high96.7Very high5 Ų568 Ų683%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-133.2138.7-179.3-171.7170.3000111.2A35 L36 A102 R105 F129 F130 V132A35-I64 WeakPolarHBondContact O-CA 3.26Å; L36-I64 HydrophobicContact CB-CG1 4.48Å; L36-I64 HydrophobicContact CD1-CB 3.82Å; L36-I64 HydrophobicContact CD1-CD1 4.2Å; L36-I64 HydrophobicContact CD1-CG1 4.18Å; I64-A102 HydrophobicContact CG2-CB 3.5Å; I64-R105 HydrophobicContact CD1-CB 3.25Å; I64-R105 HydrophobicContact CD1-CG 4.2Å; I64-F129 WeakPolarHBondContact O-CA 3.48Å; I64-F130 HydrophobicContact CG2-CB 4.17Å; I64-F130 PolarHBondContact N-O 2.93Å; I64-F130 PolarHBondContact O-N 3.15Å; I64-V132 HydrophobicContact CG2-CG2 4.03Å
65R98.2Very high96.7Very high60 Ų6065.9 Ų65.923%0.22635%0.345CS..EExtended strand (participates in β ladder)trans-97.7135.6168.975-170.7-180-167.72.2111.2R31 L33 A35 Y127 F129R31-R65 PolarHBondContact O-NH1 3.07Å; L33-R65 PolarHBondContact O-NH1 2.86Å; A35-R65 HydrophobicContact CB-CG 4.08Å; A35-R65 PolarHBondContact O-N 3.26Å; R65-Y127 HydrophobicContact CB-CD1 4.26Å; R65-Y127 HydrophobicContact CB-CG 4.44Å; R65-Y127 HydrophobicContact CG-CD1 4.08Å; R65-Y127 HydrophobicContact CG-CE1 4.39Å; R65-F129 HydrophobicContact CB-CD1 3.6Å; R65-F129 HydrophobicContact CB-CE1 3.54Å; R65-F129 HydrophobicContact CB-CZ 4.48Å
66V98Very high96.7Very high3 Ų366.5 Ų66.52%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-123130.7174.1-173.50000108.5R68 L98 V101 A102 Y127 K128 F130V66-R68 PolarHBondContact O-N 3.41Å; V66-L98 HydrophobicContact CG1-CB 4.34Å; V66-L98 HydrophobicContact CG1-CD2 3.79Å; V66-V101 HydrophobicContact CG1-CB 4.35Å; V66-V101 HydrophobicContact CG1-CG1 3.96Å; V66-A102 HydrophobicContact CG2-CB 3.69Å; V66-Y127 CarbonylContact O-C 3.49Å; V66-Y127 WeakPolarHBondContact O-CA 3.38Å; V66-K128 PolarHBondContact N-O 3.43Å; V66-K128 PolarHBondContact O-N 3.42Å; V66-F130 HydrophobicContact CG2-CD2 4.4Å
67R97.7Very high96.7Very high178 Ų17874.5 Ų74.567%0.67238%0.376SS*.EExtended strand (participates in β ladder)trans-61134.9178.5-170174.7175.8156.1-0.1110.1T126 Y127R67-T126 CarbonylContact C-O 3.52Å; R67-T126 WeakPolarHBondContact CA-O 3.29Å; R67-Y127 HydrophobicContact CB-CD1 4.3Å; R67-Y127 HydrophobicContact CB-CE1 4.18Å
68R97.5Very high96.6Very high106 Ų10669.3 Ų69.340%0.436%0.36SS..  trans-75.6161.2173.6-66.9178.766.5173.4-0110.4V66 D124 T126 K128V66-R68 PolarHBondContact O-N 3.41Å; R68-D124 WeakPolarHBondContact CD-O 3.37Å; R68-D124 PolarHBondContact NH1-O 3.1Å; R68-T126 PolarHBondContact N-O 3.34Å; R68-K128 HydrophobicContact CG-CB 4.2Å
69G95.4Very high96.5Very high66 Ų6670.4 Ų70.468%0.6837%0.368SS*.SBendtrans110.9-175.9175.300000113.9
70G93.8Very high96.3Very high63 Ų6370.8 Ų70.865%0.64937%0.373SS*.  trans-79.7-171.6175.700000113
71R93.4Very high96.1Very high134 Ų13478.9 Ų78.951%0.50640%0.402SS..  trans-116.9105.4175.9-179.9-179.2179.7-169.21.6108.9R73 L92 F94R71-R73 PolarHBondContact O-N 3.1Å; R71-L92 PolarHBondContact N-O 3.04Å; R71-L92 WeakPolarHBondContact O-CB 3.46Å; R71-F94 HydrophobicContact CB-CB 4.2Å
72K94.9Very high95.9Very high139 Ų13981.6 Ų81.660%0.60443%0.432SS*.  trans-58.3134.4167.2-172.5179.9177.6178.60109.4V89K72-V89 WeakPolarHBondContact CA-O 3.42Å; K72-V89 HydrophobicContact CD-CG1 4.5Å; K72-V89 HydrophobicContact CG-CG1 3.81Å
73R95.8Very high95.8Very high74 Ų7487 Ų8728%0.27946%0.456SS..  trans-61.9130.8172.6-169.3-179.4-72.3-167.88.6109.1R71 V75 H86 G88 V89 L92R71-R73 PolarHBondContact O-N 3.1Å; R73-V75 HydrophobicContact CB-CG2 4.18Å; R73-V75 HydrophobicContact CG-CG1 3.93Å; R73-V75 HydrophobicContact CG-CG2 4.2Å; R73-V75 PolarHBondContact O-N 3.26Å; R73-H86 PolarHBondContact NH1-O 3.21Å; R73-H86 PolarHBondContact NH2-O 3.29Å; R73-G88 PolarHBondContact NE-O 2.52Å; R73-G88 PolarHBondContact NH2-O 3.31Å; R73-V89 HydrophobicContact CB-CG1 4.29Å; R73-V89 PolarHBondContact N-O 3.08Å; R73-L92 HydrophobicContact CB-CD1 3.75Å; R73-L92 HydrophobicContact CG-CD1 4.45Å
74P95.4Very high95.7Very high107 Ų10791.1 Ų91.170%0.69549%0.486SS*.  trans-78.371.1178.733.8-35.6000110.2
75V96.3Very high95.6Very high32 Ų3296.5 Ų96.519%0.19452%0.518CS..  trans-113.9131.9175.7-79.20000110.8R73 K77 G78 T80 V89R73-V75 HydrophobicContact CB-CG2 4.18Å; R73-V75 HydrophobicContact CG-CG1 3.93Å; R73-V75 HydrophobicContact CG-CG2 4.2Å; R73-V75 PolarHBondContact O-N 3.26Å; V75-K77 PolarHBondContact O-N 3.13Å; V75-G78 PolarHBondContact O-N 3.34Å; V75-T80 HydrophobicContact CG1-CG2 4.16Å; V75-T80 HydrophobicContact CG2-CG2 4.15Å; V75-V89 HydrophobicContact CG2-CG1 4.16Å; V75-V89 HydrophobicContact CG2-CG2 3.83Å
76P95.8Very high95.5Very high108 Ų10898.6 Ų98.670%0.70153%0.53SS*.G310 helixtrans-55.7129.7173.9-2434.2000110.8G78 A79P76-G78 PolarHBondContact O-N 3.36Å; P76-A79 PolarHBondContact O-N 2.87Å
77K95.9Very high95.4Very high224 Ų224102.7 Ų102.797%0.97455%0.549SS*.G310 helixtrans53.114.4178.5-56-178.9-179.4-179.90116V75 A79V75-K77 PolarHBondContact O-N 3.13Å; K77-A79 VanDerWaalsContact C-N 3.27Å; K77-A79 PolarHBondContact O-N 3.24Å
78G94.2Very high95.3Very high31 Ų3196.2 Ų96.232%0.3254%0.538SS..G310 helixtrans80.11.6-173.800000114.8V75 P76 T80V75-G78 PolarHBondContact O-N 3.34Å; P76-G78 PolarHBondContact O-N 3.36Å; G78-T80 PolarHBondContact O-N 3.31Å
79A95Very high95.2Very high35 Ų3592 Ų9229%0.28952%0.524SS..  trans-77.9110.6-178.600000110.8P76 K77 Y81P76-A79 PolarHBondContact O-N 2.87Å; K77-A79 VanDerWaalsContact C-N 3.27Å; K77-A79 PolarHBondContact O-N 3.24Å; A79-Y81 HydrophobicContact CB-CE1 4.4Å; A79-Y81 HydrophobicContact CB-CE2 3.87Å
80T93.8Very high95.2Very high28 Ų2894.7 Ų94.717%0.17252%0.522CS..  trans-95.7-26.318056.10000113.3V75 G78 H87 V89V75-T80 HydrophobicContact CG1-CG2 4.16Å; V75-T80 HydrophobicContact CG2-CG2 4.15Å; G78-T80 PolarHBondContact O-N 3.31Å; T80-H87 WeakPolarHBondContact OG1-CA 3.32Å; T80-H87 PolarHBondContact OG1-CD2 3.1Å; T80-V89 HydrophobicContact CG2-CG2 4.02Å
81Y93.1Very high95.2Very high193 Ų193100.7 Ų100.776%0.75753%0.534SS*.  trans56.9157.7-171-49.3-80.2000113.5A79A79-Y81 HydrophobicContact CB-CE1 4.4Å; A79-Y81 HydrophobicContact CB-CE2 3.87Å
82G94.6Very high95.3Very high63 Ų6397.4 Ų97.465%0.64953%0.526SS*.SBendtrans87.3-155.7179.200000115H87G82-H87 PolarHBondContact O-NE2 3.04Å
83K96.7Very high95.4Very high157 Ų157100.1 Ų100.168%0.68354%0.537SS*.  trans-68146.4-170-62.5-176.3180-175.70112.8V85 H86 H87K83-V85 HydrophobicContact CB-CG1 4.07Å; K83-V85 PolarHBondContact O-N 3.31Å; K83-H86 PolarHBondContact O-N 2.87Å; K83-H87 PolarHBondContact O-CD2 3.4Å; K83-H87 VanDerWaalsContact O-CD2 3.3Å
84P96.3Very high95.3Very high108 Ų108100.1 Ų100.170%0.70154%0.54SS*.G310 helixtrans-51.5-33.3-179.2-30.436000115.3H86 H87P84-H86 PolarHBondContact O-N 3.1Å; P84-H87 WeakPolarHBondContact O-CB 3.46Å; P84-H87 PolarHBondContact O-N 3.29Å
85V96.7Very high95.2Very high117 Ų11799.2 Ų99.271%0.70954%0.541SS*.G310 helixtrans-56.9-23176.867.60000113.8K83K83-V85 HydrophobicContact CB-CG1 4.07Å; K83-V85 PolarHBondContact O-N 3.31Å
86H95.3Very high95.2Very high104 Ų104101.8 Ų101.848%0.48155%0.547SS..G310 helixtrans-100.20.2-179.4-60.8-45000114.1R73 K83 P84 G88R73-H86 PolarHBondContact NH1-O 3.21Å; R73-H86 PolarHBondContact NH2-O 3.29Å; K83-H86 PolarHBondContact O-N 2.87Å; P84-H86 PolarHBondContact O-N 3.1Å; H86-G88 VanDerWaalsContact C-N 3.29Å; H86-G88 PolarHBondContact O-N 3.44Å
87H95.9Very high95.2Very high90 Ų9098.6 Ų98.642%0.41753%0.528SS..  trans-76-9.5-174.1-68.1-174000115T80 G82 K83 P84 V89T80-H87 WeakPolarHBondContact OG1-CA 3.32Å; T80-H87 PolarHBondContact OG1-CD2 3.1Å; G82-H87 PolarHBondContact O-NE2 3.04Å; K83-H87 PolarHBondContact O-CD2 3.4Å; K83-H87 VanDerWaalsContact O-CD2 3.3Å; P84-H87 WeakPolarHBondContact O-CB 3.46Å; P84-H87 PolarHBondContact O-N 3.29Å; H87-V89 PolarHBondContact O-N 3.2Å
88G95Very high95.3Very high42 Ų4290.5 Ų90.543%0.43350%0.495SS..  trans-64.212517900000114.1R73 H86 L92R73-G88 PolarHBondContact NE-O 2.52Å; R73-G88 PolarHBondContact NH2-O 3.31Å; H86-G88 VanDerWaalsContact C-N 3.29Å; H86-G88 PolarHBondContact O-N 3.44Å; G88-L92 WeakPolarHBondContact O-CD1 3.47Å
89V95.8Very high95.5Very high18 Ų1891.6 Ų91.611%0.10949%0.492CS..  trans-113.9-47.7-178.5178.10000113.7K72 R73 V75 T80 H87K72-V89 WeakPolarHBondContact CA-O 3.42Å; K72-V89 HydrophobicContact CD-CG1 4.5Å; K72-V89 HydrophobicContact CG-CG1 3.81Å; R73-V89 HydrophobicContact CB-CG1 4.29Å; R73-V89 PolarHBondContact N-O 3.08Å; V75-V89 HydrophobicContact CG2-CG1 4.16Å; V75-V89 HydrophobicContact CG2-CG2 3.83Å; T80-V89 HydrophobicContact CG2-CG2 4.02Å; H87-V89 PolarHBondContact O-N 3.2Å
90N95.1Very high95.6Very high121 Ų12190 Ų9065%0.64748%0.479SS*.SBendtrans-91.6-42-165.2-68.2-27.7000114.4L92N90-L92 PolarHBondContact O-N 3.45Å; N90-L92 VanDerWaalsContact O-N 3.16Å
91Q95.1Very high95.8Very high190 Ų19089.5 Ų89.589%0.88848%0.476SS*.SBendtrans-84.618.3-172.4-62.7-178.5-2.800113.9
92L95.2Very high96.1Very high65 Ų6580.3 Ų80.334%0.3444%0.439SS..PPolyproline II helixtrans-78.2135.3179.6-63174.1000111.4R71 R73 G88 N90R71-L92 PolarHBondContact N-O 3.04Å; R71-L92 WeakPolarHBondContact O-CB 3.46Å; R73-L92 HydrophobicContact CB-CD1 3.75Å; R73-L92 HydrophobicContact CG-CD1 4.45Å; G88-L92 WeakPolarHBondContact O-CD1 3.47Å; N90-L92 PolarHBondContact O-N 3.45Å; N90-L92 VanDerWaalsContact O-N 3.16Å
93K95.5Very high96.3Very high195 Ų19577.3 Ų77.385%0.84841%0.409SS*.PPolyproline II helixtrans-103.1137.3177.1-62.2177.5-175.8172.90109.7
94F94.8Very high96.4Very high74 Ų7470.8 Ų70.833%0.32538%0.381SS..PPolyproline II helixtrans-72.4138.2177.4-169.7-128.6000111.1R71 R96 V101R71-F94 HydrophobicContact CB-CB 4.2Å; F94-R96 VanDerWaalsContact C-N 3.27Å; F94-R96 HydrophobicContact CD1-CB 4.03Å; F94-R96 VanDerWaalsContact CD1-O 3.28Å; F94-R96 WeakPolarHBondContact CD1-O 3.48Å; F94-R96 HydrophobicContact CE1-CB 3.67Å; F94-R96 HydrophobicContact CE1-CG 4.27Å; F94-R96 HydrophobicContact CZ-CB 4.42Å; F94-R96 PolarHBondContact O-N 2.98Å; F94-V101 HydrophobicContact CD1-CG2 3.98Å; F94-V101 HydrophobicContact CE1-CG2 3.58Å
95A94.1Very high96.4Very high88 Ų8871.7 Ų71.773%0.72737%0.37SS*.SBendtrans-65-28.4-175.700000113.8
96R95.1Very high96.5Very high86 Ų8666.1 Ų66.133%0.32534%0.336SS..SBendtrans-101.1148-179.5-58-178-70.4164.10.7110.8F94 E104F94-R96 VanDerWaalsContact C-N 3.27Å; F94-R96 HydrophobicContact CD1-CB 4.03Å; F94-R96 VanDerWaalsContact CD1-O 3.28Å; F94-R96 WeakPolarHBondContact CD1-O 3.48Å; F94-R96 HydrophobicContact CE1-CB 3.67Å; F94-R96 HydrophobicContact CE1-CG 4.27Å; F94-R96 HydrophobicContact CZ-CB 4.42Å; F94-R96 PolarHBondContact O-N 2.98Å; R96-E104 IonicContact CZ-OE2 3.06Å; R96-E104 IonicContact NH1-OE2 2.62Å; R96-E104 PolarHBondContact NH1-OE2 3.45Å; R96-E104 IonicContact NH2-OE1 3.13Å; R96-E104 IonicContact NH2-OE2 2.98Å; R96-E104 PolarHBondContact NH2-OE2 3.16Å
97S96.7Very high96.6Very high42 Ų4261.3 Ų61.329%0.29431%0.314SS..  trans-67.3153.6175.763.30000112.1Q99 S100 V101 S171S97-Q99 PolarHBondContact O-N 3.11Å; S97-S100 WeakPolarHBondContact O-CB 3.35Å; S97-S100 PolarHBondContact O-N 2.8Å; S97-S100 PolarHBondContact OG-N 2.94Å; S97-V101 PolarHBondContact O-N 2.86Å; S97-V101 VanDerWaalsContact O-N 3.08Å; S97-S171 PolarHBondContact N-OG 2.85Å
98L97.8Very high96.7Very high54 Ų5464.9 Ų64.928%0.28332%0.324SS..Hα-helixtrans-56.9-31.8174.3-62.9177.5000112.4V66 V101 A102 K128 F130V66-L98 HydrophobicContact CG1-CB 4.34Å; V66-L98 HydrophobicContact CG1-CD2 3.79Å; L98-V101 PolarHBondContact O-N 3.42Å; L98-A102 WeakPolarHBondContact O-CB 3.03Å; L98-A102 PolarHBondContact O-N 3.26Å; L98-K128 HydrophobicContact CD1-CB 4.38Å; L98-K128 HydrophobicContact CD1-CD 4.04Å; L98-F130 HydrophobicContact CB-CE2 4.09Å; L98-F130 HydrophobicContact CB-CZ 4.25Å
99Q98.2Very high96.8Very high53 Ų5369.1 Ų69.125%0.24833%0.333CS..Hα-helixtrans-64.8-41.3175-172.9179.2-100111.9S97 V101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 3.11Å; Q99-V101 VanDerWaalsContact C-N 3.33Å; Q99-A102 WeakPolarHBondContact O-CB 3.17Å; Q99-A102 PolarHBondContact O-N 3.2Å; Q99-E103 WeakPolarHBondContact O-CG 3.46Å; Q99-E103 PolarHBondContact O-N 2.97Å; Q99-S118 WeakPolarHBondContact CG-OG 3.37Å; Q99-S118 PolarHBondContact NE2-O 3.21Å; Q99-S118 PolarHBondContact NE2-OG 3.34Å; Q99-F130 HydrophobicContact CB-CD1 4.16Å; Q99-F130 HydrophobicContact CB-CE1 3.61Å; Q99-F130 HydrophobicContact CB-CZ 3.87Å; Q99-F130 HydrophobicContact CG-CD1 3.92Å; Q99-F130 HydrophobicContact CG-CE1 3.81Å; Q99-A167 HydrophobicContact CB-CB 4.01Å; Q99-A167 HydrophobicContact CG-CB 3.76Å
100S97.7Very high96.8Very high2 Ų268.9 Ų68.91%0.01433%0.331CS..Hα-helixtrans-67.2-35.3174.5176.90000111.8S97 A102 E103 E104S97-S100 WeakPolarHBondContact O-CB 3.35Å; S97-S100 PolarHBondContact O-N 2.8Å; S97-S100 PolarHBondContact OG-N 2.94Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-E103 PolarHBondContact O-N 2.85Å; S100-E104 PolarHBondContact O-N 3.43Å
101V98Very high96.9Very high18 Ų1864.7 Ų64.711%0.10932%0.317CS..Hα-helixtrans-65.3-39.5173.8176.60000111.3V66 F94 S97 L98 Q99 E104 R105V66-V101 HydrophobicContact CG1-CB 4.35Å; V66-V101 HydrophobicContact CG1-CG1 3.96Å; F94-V101 HydrophobicContact CD1-CG2 3.98Å; F94-V101 HydrophobicContact CE1-CG2 3.58Å; S97-V101 PolarHBondContact O-N 2.86Å; S97-V101 VanDerWaalsContact O-N 3.08Å; L98-V101 PolarHBondContact O-N 3.42Å; Q99-V101 VanDerWaalsContact C-N 3.33Å; V101-E104 PolarHBondContact O-N 3Å; V101-R105 HydrophobicContact CG1-CG 4.48Å; V101-R105 WeakPolarHBondContact O-CG 3.12Å; V101-R105 PolarHBondContact O-N 3.43Å
102A98.4Very high97Very high0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-59.8-49174.700000111.7I64 V66 L98 Q99 S100 E104 R105 A106 F130I64-A102 HydrophobicContact CG2-CB 3.5Å; V66-A102 HydrophobicContact CG2-CB 3.69Å; L98-A102 WeakPolarHBondContact O-CB 3.03Å; L98-A102 PolarHBondContact O-N 3.26Å; Q99-A102 WeakPolarHBondContact O-CB 3.17Å; Q99-A102 PolarHBondContact O-N 3.2Å; S100-A102 VanDerWaalsContact C-N 3.35Å; A102-E104 PolarHBondContact O-N 3.45Å; A102-R105 PolarHBondContact O-N 3.47Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.03Å; A102-F130 HydrophobicContact CB-CB 3.92Å; A102-F130 HydrophobicContact CB-CD2 3.63Å; A102-F130 HydrophobicContact CB-CE2 4.38Å; A102-F130 HydrophobicContact CB-CG 3.93Å
103E98.6Very high97.1Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-59.3-45.4177.1-71.7172.9169.300112Q99 S100 A106 G107 V115 S118 E160 T165Q99-E103 WeakPolarHBondContact O-CG 3.46Å; Q99-E103 PolarHBondContact O-N 2.97Å; S100-E103 PolarHBondContact O-N 2.85Å; E103-A106 PolarHBondContact O-N 3.47Å; E103-G107 PolarHBondContact O-N 3.44Å; E103-V115 HydrophobicContact CB-CG1 4.23Å; E103-V115 HydrophobicContact CG-CG1 4.17Å; E103-S118 VanDerWaalsContact CD-OG 3.28Å; E103-S118 WeakPolarHBondContact CG-OG 3.25Å; E103-S118 WeakPolarHBondContact OE1-CB 3.49Å; E103-S118 PolarHBondContact OE1-N 2.58Å; E103-S118 PolarHBondContact OE1-OG 3.49Å; E103-E160 HydrophobicContact CB-CB 3.99Å; E103-T165 WeakPolarHBondContact OE2-CB 3.41Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.32Å; E103-T165 PolarHBondContact OE2-OG1 3.29Å
104E98.1Very high97.2Very high20 Ų2048.9 Ų48.99%0.09326%0.255CS..Hα-helixtrans-63.1-46179.3-177.1-177175.700112.2R96 S100 V101 A102 A106 G107 R108 M161R96-E104 IonicContact CZ-OE2 3.06Å; R96-E104 IonicContact NH1-OE2 2.62Å; R96-E104 PolarHBondContact NH1-OE2 3.45Å; R96-E104 IonicContact NH2-OE1 3.13Å; R96-E104 IonicContact NH2-OE2 2.98Å; R96-E104 PolarHBondContact NH2-OE2 3.16Å; S100-E104 PolarHBondContact O-N 3.43Å; V101-E104 PolarHBondContact O-N 3Å; A102-E104 PolarHBondContact O-N 3.45Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 2.88Å; E104-G107 PolarHBondContact O-N 2.88Å; E104-R108 HydrophobicContact CG-CG 4.37Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 VanDerWaalsContact O-CG 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 3.38Å; E104-R108 IonicContact OE1-CZ 2.77Å; E104-R108 VanDerWaalsContact OE1-CZ 3.26Å; E104-R108 IonicContact OE1-NE 3.32Å; E104-R108 PolarHBondContact OE1-NE 2.93Å; E104-R108 IonicContact OE1-NH2 3.89Å; E104-R108 PolarHBondContact OE1-NH2 3.11Å; E104-M161 HydrophobicContact CG-CG 4.35Å
105R98.2Very high97.4Very high127 Ų12745.4 Ų45.448%0.47924%0.24SC..Hα-helixtrans-62.4-42.2179-74.5177.4-179.7-163.7-3.9111.7I64 V101 A102 H109I64-R105 HydrophobicContact CD1-CB 3.25Å; I64-R105 HydrophobicContact CD1-CG 4.2Å; V101-R105 HydrophobicContact CG1-CG 4.48Å; V101-R105 WeakPolarHBondContact O-CG 3.12Å; V101-R105 PolarHBondContact O-N 3.43Å; A102-R105 PolarHBondContact O-N 3.47Å; R105-H109 PolarHBondContact O-N 3.5Å; R105-H109 VanDerWaalsContact O-N 3.16Å
106A98Very high97.6Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-65.3-43.7175.100000111.9L36 A102 E103 E104 R108 H109 C110 V132L36-A106 HydrophobicContact CD1-CB 4.13Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.03Å; E103-A106 PolarHBondContact O-N 3.47Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 2.88Å; A106-R108 PolarHBondContact O-N 3.16Å; A106-H109 PolarHBondContact O-N 2.86Å; A106-C110 WeakPolarHBondContact O-CB 3.48Å; A106-C110 PolarHBondContact O-N 3.3Å; A106-V132 HydrophobicContact CB-CB 4.12Å; A106-V132 HydrophobicContact CB-CG1 4.15Å; A106-V132 HydrophobicContact CB-CG2 3.95Å
107G97.8Very high97.7Very high2 Ų239.4 Ų39.42%0.02120%0.202CC..Hα-helixtrans-66.7-33.4178.400000114E103 E104 C110 G111E103-G107 PolarHBondContact O-N 3.44Å; E104-G107 PolarHBondContact O-N 2.88Å; G107-C110 CarbonylContact O-C 3.59Å; G107-G111 PolarHBondContact O-N 3.46Å
108R97.4Very high97.8Very high165 Ų16537.5 Ų37.562%0.62319%0.189SC*.Hα-helixtrans-66.1-46.8172.3-74.7-178.8-177-122.22.8111.7E104 A106 M161E104-R108 HydrophobicContact CG-CG 4.37Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 VanDerWaalsContact O-CG 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 3.38Å; E104-R108 IonicContact OE1-CZ 2.77Å; E104-R108 VanDerWaalsContact OE1-CZ 3.26Å; E104-R108 IonicContact OE1-NE 3.32Å; E104-R108 PolarHBondContact OE1-NE 2.93Å; E104-R108 IonicContact OE1-NH2 3.89Å; E104-R108 PolarHBondContact OE1-NH2 3.11Å; A106-R108 PolarHBondContact O-N 3.16Å; R108-M161 HydrophobicContact CB-CE 4.29Å; R108-M161 HydrophobicContact CG-CE 3.44Å; R108-M161 VanDerWaalsContact CG-CE 3.44Å
109H97.3Very high97.9Very high132 Ų13235.1 Ų35.161%0.61118%0.176SC*.Hα-helixtrans-69.2-40.9-179.7-17777.4000112L36 R105 A106 G111L36-H109 HydrophobicContact CD2-CB 3.31Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.3Å; R105-H109 PolarHBondContact O-N 3.5Å; R105-H109 VanDerWaalsContact O-N 3.16Å; A106-H109 PolarHBondContact O-N 2.86Å; H109-G111 PolarHBondContact O-N 2.7Å
110C96.7Very high97.9Very high12 Ų1234.8 Ų34.88%0.08117%0.173CC..THydrogen-bonded Turntrans-98.755.3178.7-58.50000111.8Y62 A106 G107 A112 L113 L134Y62-C110 VanDerWaalsContact CZ-SG 3.58Å; A106-C110 WeakPolarHBondContact O-CB 3.48Å; A106-C110 PolarHBondContact O-N 3.3Å; G107-C110 CarbonylContact O-C 3.59Å; C110-A112 PolarHBondContact O-N 2.68Å; C110-A112 VanDerWaalsContact O-N 3.11Å; C110-L113 HydrophobicContact CB-CB 4.24Å; C110-L113 HydrophobicContact CB-CD1 3.95Å; C110-L113 HydrophobicContact CB-CG 4.18Å; C110-L113 PolarHBondContact O-N 3.33Å; C110-L134 HydrophobicContact CB-CD2 3.81Å
111G95.9Very high97.9Very high33 Ų3334.7 Ų34.734%0.3417%0.172SC..THydrogen-bonded Turntrans-58.1-27.8-171.200000115.7G107 H109 L113 R114G107-G111 PolarHBondContact O-N 3.46Å; H109-G111 PolarHBondContact O-N 2.7Å; G111-L113 VanDerWaalsContact C-N 3.32Å; G111-R114 PolarHBondContact O-NH1 2.93Å
112A97.1Very high97.8Very high66 Ų6633.9 Ų33.955%0.54517%0.167SC..THydrogen-bonded Turntrans-70.7-27175.600000113.2C110 R114 P137C110-A112 PolarHBondContact O-N 2.68Å; C110-A112 VanDerWaalsContact O-N 3.11Å; A112-R114 PolarHBondContact O-NH1 3.04Å; A112-P137 WeakPolarHBondContact O-CD 3.47Å; A112-P137 WeakPolarHBondContact O-CG 3.24Å
113L97.9Very high97.8Very high31 Ų3137.4 Ų37.416%0.16218%0.184CC..SBendtrans-87.8174-176.1-54.7-176.3000112V60 C110 G111 L134 I135 D136V60-L113 HydrophobicContact CG2-CD1 3.51Å; C110-L113 HydrophobicContact CB-CB 4.24Å; C110-L113 HydrophobicContact CB-CD1 3.95Å; C110-L113 HydrophobicContact CB-CG 4.18Å; C110-L113 PolarHBondContact O-N 3.33Å; G111-L113 VanDerWaalsContact C-N 3.32Å; L113-L134 HydrophobicContact CB-CB 4.01Å; L113-L134 HydrophobicContact CB-CD2 3.94Å; L113-L134 HydrophobicContact CD1-CB 3.95Å; L113-L134 HydrophobicContact CD1-CD2 4.26Å; L113-I135 CarbonylContact C-O 3.42Å; L113-D136 HydrophobicContact CD2-CB 3.8Å
114R98.3Very high97.7Very high21 Ų2138.4 Ų38.48%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-121.8125.6176.7-59.6-65.2173.9-98.7-5.9110.3G111 A112 L116 L134 I135 P137 I151G111-R114 PolarHBondContact O-NH1 2.93Å; A112-R114 PolarHBondContact O-NH1 3.04Å; R114-L116 PolarHBondContact O-N 2.85Å; R114-L134 CarbonylContact O-C 3.6Å; R114-L134 VanDerWaalsContact O-CA 3.26Å; R114-L134 WeakPolarHBondContact O-CA 3.42Å; R114-I135 PolarHBondContact N-O 3.47Å; R114-I135 PolarHBondContact O-N 3.08Å; R114-P137 HydrophobicContact CG-CB 4.09Å; R114-P137 HydrophobicContact CG-CG 4.02Å; R114-I151 HydrophobicContact CB-CD1 3.74Å; R114-I151 HydrophobicContact CB-CG1 3.9Å; R114-I151 HydrophobicContact CG-CG1 4.41Å
115V98.4Very high97.6Very high2 Ų242.3 Ų42.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-73.4119.7175.1179.70000109.9E103 V132 L134 R159 E160 T165E103-V115 HydrophobicContact CB-CG1 4.23Å; E103-V115 HydrophobicContact CG-CG1 4.17Å; V115-V132 HydrophobicContact CG1-CG1 3.75Å; V115-V132 HydrophobicContact CG2-CG1 4.3Å; V115-L134 HydrophobicContact CG2-CD2 3.94Å; V115-L134 HydrophobicContact CG2-CG 4.39Å; V115-R159 PolarHBondContact O-NH1 2.71Å; V115-R159 VanDerWaalsContact O-NH1 3.1Å; V115-E160 HydrophobicContact CB-CB 4.17Å; V115-E160 HydrophobicContact CB-CG 4.38Å; V115-E160 HydrophobicContact CG1-CB 4.33Å; V115-E160 HydrophobicContact CG2-CB 4.2Å; V115-E160 HydrophobicContact CG2-CG 3.93Å; V115-T165 HydrophobicContact CG1-CG2 4.05Å
116L98Very high97.5Very high23 Ų2338.6 Ų38.612%0.1221%0.21CC..EExtended strand (participates in β ladder)trans-84.8-60.7174.6-178.969.6000110.5L51 Y59 R114 I133 I135 W150 I151 R159L51-L116 WeakPolarHBondContact O-CD2 3.47Å; Y59-L116 HydrophobicContact CE1-CD2 4.18Å; R114-L116 PolarHBondContact O-N 2.85Å; L116-I133 HydrophobicContact CB-CB 4.35Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.94Å; L116-I133 PolarHBondContact N-O 2.89Å; L116-I135 HydrophobicContact CB-CD1 4.16Å; L116-I135 HydrophobicContact CB-CG1 4.41Å; L116-I135 HydrophobicContact CD1-CD1 4.14Å; L116-I135 HydrophobicContact CD2-CD1 4.1Å; L116-I135 HydrophobicContact CG-CD1 4.36Å; L116-W150 HydrophobicContact CD1-CH2 4.29Å; L116-W150 HydrophobicContact CD1-CZ2 3.92Å; L116-I151 HydrophobicContact CB-CD1 4.41Å; L116-I151 HydrophobicContact CD1-CD1 4.11Å; L116-R159 PolarHBondContact O-NH1 3.38Å
117N98.1Very high97.5Very high25 Ų2541.6 Ų41.613%0.13422%0.222CC..EExtended strand (participates in β ladder)trans-163178.1-174.5-141.6-37.1000110.5L51 I133 S166L51-N117 HydrophobicContact CB-CB 4.01Å; L51-N117 HydrophobicContact CD1-CB 4.48Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.35Å; N117-I133 PolarHBondContact O-N 3.36Å; N117-S166 PolarHBondContact OD1-OG 3.19Å
118S98.4Very high97.6Very high2 Ų244.2 Ų44.21%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-146.9164.5175.763.30000112.1L51 Q99 E103 E131L51-S118 VanDerWaalsContact CD1-O 3.31Å; L51-S118 WeakPolarHBondContact CD1-O 3.38Å; Q99-S118 WeakPolarHBondContact CG-OG 3.37Å; Q99-S118 PolarHBondContact NE2-O 3.21Å; Q99-S118 PolarHBondContact NE2-OG 3.34Å; E103-S118 VanDerWaalsContact CD-OG 3.28Å; E103-S118 WeakPolarHBondContact CG-OG 3.25Å; E103-S118 WeakPolarHBondContact OE1-CB 3.49Å; E103-S118 PolarHBondContact OE1-N 2.58Å; E103-S118 PolarHBondContact OE1-OG 3.49Å; S118-E131 CarbonylContact C-O 3.6Å; S118-E131 VanDerWaalsContact CA-O 3.23Å; S118-E131 WeakPolarHBondContact CA-O 3.44Å; S118-E131 WeakPolarHBondContact CB-O 3.49Å
119Y98.5Very high97.6Very high3 Ų336.5 Ų36.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-149.8154.2174.754.4-87.8000112.7P42 R44 K47 A48 L51 V121 F130 E131 I133P42-Y119 WeakPolarHBondContact CB-OH 3.31Å; R44-Y119 HydrophobicContact CB-CD2 4.23Å; R44-Y119 HydrophobicContact CB-CE2 3.81Å; R44-Y119 HydrophobicContact CG-CE2 4.29Å; K47-Y119 HydrophobicContact CG-CD1 4.34Å; K47-Y119 HydrophobicContact CG-CD2 4.15Å; K47-Y119 HydrophobicContact CG-CG 3.79Å; A48-Y119 HydrophobicContact CB-CE1 3.75Å; L51-Y119 HydrophobicContact CD1-CD1 3.72Å; L51-Y119 HydrophobicContact CD1-CG 4.19Å; Y119-V121 HydrophobicContact CD2-CG1 3.68Å; Y119-V121 HydrophobicContact CE2-CG1 3.49Å; Y119-V121 VanDerWaalsContact CE2-CG1 3.49Å; Y119-F130 CarbonylContact O-C 3.56Å; Y119-F130 VanDerWaalsContact O-CA 3.26Å; Y119-F130 WeakPolarHBondContact O-CA 3.29Å; Y119-E131 HydrophobicContact CD2-CB 4.24Å; Y119-E131 HydrophobicContact CE1-CB 4.06Å; Y119-E131 HydrophobicContact CE2-CB 3.6Å; Y119-E131 HydrophobicContact CE2-CG 4.35Å; Y119-E131 VanDerWaalsContact CE2-OE2 3.24Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.3Å; Y119-E131 VanDerWaalsContact CZ-CB 3.49Å; Y119-E131 VanDerWaalsContact CZ-OE2 3.22Å; Y119-E131 PolarHBondContact N-O 2.88Å; Y119-E131 PolarHBondContact O-N 3Å; Y119-E131 PolarHBondContact OH-OE2 3.07Å; Y119-I133 HydrophobicContact CD1-CD1 4.32Å; Y119-I133 HydrophobicContact CE1-CD1 4.06Å; Y119-I133 HydrophobicContact CE1-CG1 4.04Å
120W98.3Very high97.7Very high47 Ų4730.4 Ų30.418%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-73.7136.4175.6177.783.1000111.6W11 K14 L23 R44 G122 E123 F130W11-W120 HydrophobicContact CZ3-CZ3 4.12Å; K14-W120 HydrophobicContact CD-CH2 4.14Å; K14-W120 HydrophobicContact CD-CZ3 3.85Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 4.12Å; L23-W120 HydrophobicContact CD2-CZ3 4.49Å; R44-W120 PolarHBondContact NH1-O 2.87Å; W120-G122 VanDerWaalsContact CE2-C 3.43Å; W120-G122 VanDerWaalsContact CZ2-C 3.43Å; W120-G122 VanDerWaalsContact NE1-C 3.28Å; W120-G122 PolarHBondContact NE1-O 3.31Å; W120-E123 HydrophobicContact CZ2-CB 4.39Å; W120-E123 HydrophobicContact CZ2-CG 4.02Å; W120-E123 PolarHBondContact NE1-OE2 3.24Å; W120-F130 HydrophobicContact CB-CD1 4.21Å; W120-F130 HydrophobicContact CB-CE1 4.08Å
121V97.8Very high97.8Very high0 Ų029.9 Ų29.90%017%0.171CC..EExtended strand (participates in β ladder)trans-122.2-19.5178.6-64.40000114.4L23 Y30 Y119 F129 E131L23-V121 WeakPolarHBondContact CD2-O 3.32Å; Y30-V121 HydrophobicContact CE2-CG2 3.97Å; Y119-V121 HydrophobicContact CD2-CG1 3.68Å; Y119-V121 HydrophobicContact CE2-CG1 3.49Å; Y119-V121 VanDerWaalsContact CE2-CG1 3.49Å; V121-F129 HydrophobicContact CG2-CB 3.68Å; V121-F129 WeakPolarHBondContact CG2-O 3.42Å; V121-F129 PolarHBondContact N-O 3.06Å; V121-E131 HydrophobicContact CG1-CB 3.95Å; V121-E131 HydrophobicContact CG1-CG 3.75Å; V121-E131 HydrophobicContact CG2-CG 4.36Å
122G97.1Very high97.9Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans178.6163.3-179.500000111.4W120 F129W120-G122 VanDerWaalsContact CE2-C 3.43Å; W120-G122 VanDerWaalsContact CZ2-C 3.43Å; W120-G122 VanDerWaalsContact NE1-C 3.28Å; W120-G122 PolarHBondContact NE1-O 3.31Å; G122-F129 PolarHBondContact O-N 3.19Å
123E97.4Very high98Very high75 Ų7525.1 Ų25.135%0.3513%0.129SC..EExtended strand (participates in β ladder)trans-149.8152.7167.367.4-167.1-160.300109.9C27 W120 Y127 K128C27-E123 PolarHBondContact SG-O 2.89Å; C27-E123 VanDerWaalsContact SG-O 3.4Å; W120-E123 HydrophobicContact CZ2-CB 4.39Å; W120-E123 HydrophobicContact CZ2-CG 4.02Å; W120-E123 PolarHBondContact NE1-OE2 3.24Å; E123-Y127 WeakPolarHBondContact CA-O 3.23Å; E123-K128 HydrophobicContact CB-CB 4.33Å; E123-K128 HydrophobicContact CB-CG 4.1Å; E123-K128 VanDerWaalsContact OE2-CE 3.29Å; E123-K128 WeakPolarHBondContact OE2-CE 3.47Å; E123-K128 IonicContact OE2-NZ 3.68Å; E123-K128 PolarHBondContact OE2-NZ 3Å
124D96.5Very high98Very high21 Ų2123.7 Ų23.711%0.11212%0.121CC..  trans-127.2-172.9172.863.748.9000108.6R31 R68 T126 Y127 F129R31-D124 IonicContact CZ-OD1 3.04Å; R31-D124 IonicContact CZ-OD2 3.76Å; R31-D124 VanDerWaalsContact CZ-OD2 3.32Å; R31-D124 IonicContact NE-OD1 3.89Å; R31-D124 IonicContact NE-OD2 2.61Å; R31-D124 PolarHBondContact NE-OD2 2.85Å; R31-D124 IonicContact NH2-OD1 2.81Å; R31-D124 PolarHBondContact NH2-OD1 3.38Å; R31-D124 IonicContact NH2-OD2 3.43Å; R31-D124 PolarHBondContact NH2-OD2 2.91Å; R31-D124 VanDerWaalsContact NH2-OD2 3.13Å; R68-D124 WeakPolarHBondContact CD-O 3.37Å; R68-D124 PolarHBondContact NH1-O 3.1Å; D124-T126 VanDerWaalsContact C-N 3.25Å; D124-T126 PolarHBondContact O-N 2.89Å; D124-T126 WeakPolarHBondContact OD1-CA 3.26Å; D124-T126 PolarHBondContact OD1-N 3.05Å; D124-Y127 PolarHBondContact N-O 3.23Å; D124-Y127 PolarHBondContact OD1-N 3.21Å; D124-F129 VanDerWaalsContact OD2-CE2 3.28Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.36Å; D124-F129 WeakPolarHBondContact OD2-CZ 3.36Å
125S96Very high98Very high101 Ų10122.8 Ų22.871%0.70612%0.118SC*.SBendtrans-58.8-32.6-178.554.70000114.1
126T97.2Very high98Very high50 Ų5024.7 Ų24.731%0.30713%0.129SC..SBendtrans-106.7-31.3-170.3-44.30000113R31 R67 R68 D124R31-T126 PolarHBondContact NH2-OG1 3.04Å; R67-T126 CarbonylContact C-O 3.52Å; R67-T126 WeakPolarHBondContact CA-O 3.29Å; R68-T126 PolarHBondContact N-O 3.34Å; D124-T126 VanDerWaalsContact C-N 3.25Å; D124-T126 PolarHBondContact O-N 2.89Å; D124-T126 WeakPolarHBondContact OD1-CA 3.26Å; D124-T126 PolarHBondContact OD1-N 3.05Å
127Y98.3Very high98Very high63 Ų6323.8 Ų23.825%0.24712%0.124CC..EExtended strand (participates in β ladder)trans-131.5152.3-169-64.3-73.1000112.3R65 V66 R67 E123 D124R65-Y127 HydrophobicContact CB-CD1 4.26Å; R65-Y127 HydrophobicContact CB-CG 4.44Å; R65-Y127 HydrophobicContact CG-CD1 4.08Å; R65-Y127 HydrophobicContact CG-CE1 4.39Å; V66-Y127 CarbonylContact O-C 3.49Å; V66-Y127 WeakPolarHBondContact O-CA 3.38Å; R67-Y127 HydrophobicContact CB-CD1 4.3Å; R67-Y127 HydrophobicContact CB-CE1 4.18Å; E123-Y127 WeakPolarHBondContact CA-O 3.23Å; D124-Y127 PolarHBondContact N-O 3.23Å; D124-Y127 PolarHBondContact OD1-N 3.21Å
128K98.3Very high97.9Very high56 Ų5629.6 Ų29.624%0.24315%0.148CC..EExtended strand (participates in β ladder)trans-119.9130.8169.2-167.8165.5-173.6125.80108.3V66 R68 L98 E123 F130V66-K128 PolarHBondContact N-O 3.43Å; V66-K128 PolarHBondContact O-N 3.42Å; R68-K128 HydrophobicContact CG-CB 4.2Å; L98-K128 HydrophobicContact CD1-CB 4.38Å; L98-K128 HydrophobicContact CD1-CD 4.04Å; E123-K128 HydrophobicContact CB-CB 4.33Å; E123-K128 HydrophobicContact CB-CG 4.1Å; E123-K128 VanDerWaalsContact OE2-CE 3.29Å; E123-K128 WeakPolarHBondContact OE2-CE 3.47Å; E123-K128 IonicContact OE2-NZ 3.68Å; E123-K128 PolarHBondContact OE2-NZ 3Å; K128-F130 HydrophobicContact CB-CE2 4.04Å; K128-F130 HydrophobicContact CD-CE2 3.95Å; K128-F130 HydrophobicContact CD-CZ 3.61Å; K128-F130 HydrophobicContact CG-CD2 4.47Å; K128-F130 HydrophobicContact CG-CE2 3.62Å; K128-F130 HydrophobicContact CG-CZ 3.67Å
129F98.5Very high97.9Very high3 Ų332 Ų321%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-105133.1-174.7-56.6-88000110.5Y30 R31 I64 R65 V121 G122 D124Y30-F129 VanDerWaalsContact CB-CE1 3.47Å; Y30-F129 HydrophobicContact CD2-CB 4.13Å; Y30-F129 HydrophobicContact CD2-CD1 4.02Å; Y30-F129 HydrophobicContact CD2-CD2 4.27Å; Y30-F129 AromaticContact CD2-CG 3.89Å; Y30-F129 HydrophobicContact CD2-CG 3.89Å; Y30-F129 HydrophobicContact CG-CD1 4.29Å; Y30-F129 HydrophobicContact CG-CE1 4.49Å; R31-F129 HydrophobicContact CG-CZ 4.26Å; I64-F129 WeakPolarHBondContact O-CA 3.48Å; R65-F129 HydrophobicContact CB-CD1 3.6Å; R65-F129 HydrophobicContact CB-CE1 3.54Å; R65-F129 HydrophobicContact CB-CZ 4.48Å; V121-F129 HydrophobicContact CG2-CB 3.68Å; V121-F129 WeakPolarHBondContact CG2-O 3.42Å; V121-F129 PolarHBondContact N-O 3.06Å; G122-F129 PolarHBondContact O-N 3.19Å; D124-F129 VanDerWaalsContact OD2-CE2 3.28Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.36Å; D124-F129 WeakPolarHBondContact OD2-CZ 3.36Å
130F98.7Very high97.8Very high5 Ų538.9 Ų38.92%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-127.8146.6176.6-61.8-86.8000110.2R63 I64 V66 L98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.44Å; I64-F130 HydrophobicContact CG2-CB 4.17Å; I64-F130 PolarHBondContact N-O 2.93Å; I64-F130 PolarHBondContact O-N 3.15Å; V66-F130 HydrophobicContact CG2-CD2 4.4Å; L98-F130 HydrophobicContact CB-CE2 4.09Å; L98-F130 HydrophobicContact CB-CZ 4.25Å; Q99-F130 HydrophobicContact CB-CD1 4.16Å; Q99-F130 HydrophobicContact CB-CE1 3.61Å; Q99-F130 HydrophobicContact CB-CZ 3.87Å; Q99-F130 HydrophobicContact CG-CD1 3.92Å; Q99-F130 HydrophobicContact CG-CE1 3.81Å; A102-F130 HydrophobicContact CB-CB 3.92Å; A102-F130 HydrophobicContact CB-CD2 3.63Å; A102-F130 HydrophobicContact CB-CE2 4.38Å; A102-F130 HydrophobicContact CB-CG 3.93Å; Y119-F130 CarbonylContact O-C 3.56Å; Y119-F130 VanDerWaalsContact O-CA 3.26Å; Y119-F130 WeakPolarHBondContact O-CA 3.29Å; W120-F130 HydrophobicContact CB-CD1 4.21Å; W120-F130 HydrophobicContact CB-CE1 4.08Å; K128-F130 HydrophobicContact CB-CE2 4.04Å; K128-F130 HydrophobicContact CD-CE2 3.95Å; K128-F130 HydrophobicContact CD-CZ 3.61Å; K128-F130 HydrophobicContact CG-CD2 4.47Å; K128-F130 HydrophobicContact CG-CE2 3.62Å; K128-F130 HydrophobicContact CG-CZ 3.67Å
131E98.7Very high97.8Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-102.7128.3163-81.4176.1-178.100108.5T43 I61 Y62 R63 S118 Y119 V121T43-E131 VanDerWaalsContact CB-OE1 3.3Å; T43-E131 WeakPolarHBondContact CB-OE1 3.41Å; T43-E131 PolarHBondContact N-OE1 2.91Å; T43-E131 PolarHBondContact N-OE2 2.8Å; T43-E131 PolarHBondContact OG1-OE1 2.91Å; I61-E131 HydrophobicContact CG2-CB 3.79Å; I61-E131 HydrophobicContact CG2-CG 3.88Å; Y62-E131 CarbonylContact O-C 3.58Å; Y62-E131 WeakPolarHBondContact O-CA 3.4Å; R63-E131 HydrophobicContact CB-CG 4.11Å; R63-E131 HydrophobicContact CG-CG 4.18Å; R63-E131 IonicContact CZ-OE1 2.73Å; R63-E131 IonicContact NE-OE1 3.72Å; R63-E131 PolarHBondContact NE-OE1 2.88Å; R63-E131 IonicContact NH2-OE1 3.87Å; R63-E131 PolarHBondContact NH2-OE1 3.04Å; S118-E131 CarbonylContact C-O 3.6Å; S118-E131 VanDerWaalsContact CA-O 3.23Å; S118-E131 WeakPolarHBondContact CA-O 3.44Å; S118-E131 WeakPolarHBondContact CB-O 3.49Å; Y119-E131 HydrophobicContact CD2-CB 4.24Å; Y119-E131 HydrophobicContact CE1-CB 4.06Å; Y119-E131 HydrophobicContact CE2-CB 3.6Å; Y119-E131 HydrophobicContact CE2-CG 4.35Å; Y119-E131 VanDerWaalsContact CE2-OE2 3.24Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.3Å; Y119-E131 VanDerWaalsContact CZ-CB 3.49Å; Y119-E131 VanDerWaalsContact CZ-OE2 3.22Å; Y119-E131 PolarHBondContact N-O 2.88Å; Y119-E131 PolarHBondContact O-N 3Å; Y119-E131 PolarHBondContact OH-OE2 3.07Å; V121-E131 HydrophobicContact CG1-CB 3.95Å; V121-E131 HydrophobicContact CG1-CG 3.75Å; V121-E131 HydrophobicContact CG2-CG 4.36Å
132V98.7Very high97.8Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-106.4126.4179.6-175.20000107.7I61 Y62 I64 A106 V115 L134I61-V132 WeakPolarHBondContact CA-O 3.4Å; Y62-V132 PolarHBondContact N-O 2.93Å; Y62-V132 PolarHBondContact O-N 2.86Å; I64-V132 HydrophobicContact CG2-CG2 4.03Å; A106-V132 HydrophobicContact CB-CB 4.12Å; A106-V132 HydrophobicContact CB-CG1 4.15Å; A106-V132 HydrophobicContact CB-CG2 3.95Å; V115-V132 HydrophobicContact CG1-CG1 3.75Å; V115-V132 HydrophobicContact CG2-CG1 4.3Å; V132-L134 HydrophobicContact CB-CD1 4.26Å; V132-L134 HydrophobicContact CG1-CD1 4.09Å; V132-L134 HydrophobicContact CG1-CG 4.18Å; V132-L134 WeakPolarHBondContact O-CD1 3.36Å
133I98.5Very high97.8Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-87.5116.1175.6-56.8162000107A48 L51 Y53 Y59 L116 N117 Y119A48-I133 HydrophobicContact CB-CD1 4.48Å; L51-I133 HydrophobicContact CB-CD1 3.83Å; Y53-I133 HydrophobicContact CD2-CG2 4.22Å; Y59-I133 HydrophobicContact CD1-CG2 4.04Å; Y59-I133 HydrophobicContact CE1-CG2 4.38Å; L116-I133 HydrophobicContact CB-CB 4.35Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.94Å; L116-I133 PolarHBondContact N-O 2.89Å; N117-I133 PolarHBondContact O-N 3.36Å; Y119-I133 HydrophobicContact CD1-CD1 4.32Å; Y119-I133 HydrophobicContact CE1-CD1 4.06Å; Y119-I133 HydrophobicContact CE1-CG1 4.04Å
134L98.3Very high97.7Very high0 Ų049.9 Ų49.90%023%0.234CC..EExtended strand (participates in β ladder)trans-112.4152.2173.1-53.2100.3000110.6V60 Y62 C110 L113 R114 V115 V132V60-L134 HydrophobicContact CG2-CB 3.78Å; V60-L134 HydrophobicContact CG2-CD1 4.42Å; V60-L134 PolarHBondContact N-O 2.8Å; V60-L134 PolarHBondContact O-N 2.86Å; V60-L134 VanDerWaalsContact O-O 3.11Å; Y62-L134 HydrophobicContact CD2-CD1 3.67Å; Y62-L134 HydrophobicContact CG-CD1 4.08Å; C110-L134 HydrophobicContact CB-CD2 3.81Å; L113-L134 HydrophobicContact CB-CB 4.01Å; L113-L134 HydrophobicContact CB-CD2 3.94Å; L113-L134 HydrophobicContact CD1-CB 3.95Å; L113-L134 HydrophobicContact CD1-CD2 4.26Å; R114-L134 CarbonylContact O-C 3.6Å; R114-L134 VanDerWaalsContact O-CA 3.26Å; R114-L134 WeakPolarHBondContact O-CA 3.42Å; V115-L134 HydrophobicContact CG2-CD2 3.94Å; V115-L134 HydrophobicContact CG2-CG 4.39Å; V132-L134 HydrophobicContact CB-CD1 4.26Å; V132-L134 HydrophobicContact CG1-CD1 4.09Å; V132-L134 HydrophobicContact CG1-CG 4.18Å; V132-L134 WeakPolarHBondContact O-CD1 3.36Å
135I98Very high97.7Very high2 Ų250.7 Ų50.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-122.2135.3177.9-63.7179.2000108.4G58 Y59 L113 R114 L116 P137 I142 I151G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.38Å; Y59-I135 HydrophobicContact CD1-CD1 4.36Å; Y59-I135 HydrophobicContact CD1-CG1 3.93Å; Y59-I135 HydrophobicContact CE1-CD1 3.69Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CG-CG1 4.49Å; L113-I135 CarbonylContact C-O 3.42Å; R114-I135 PolarHBondContact N-O 3.47Å; R114-I135 PolarHBondContact O-N 3.08Å; L116-I135 HydrophobicContact CB-CD1 4.16Å; L116-I135 HydrophobicContact CB-CG1 4.41Å; L116-I135 HydrophobicContact CD1-CD1 4.14Å; L116-I135 HydrophobicContact CD2-CD1 4.1Å; L116-I135 HydrophobicContact CG-CD1 4.36Å; I135-P137 WeakPolarHBondContact O-CD 3.19Å; I135-I142 HydrophobicContact CG2-CB 4.23Å; I135-I142 HydrophobicContact CG2-CD1 3.83Å; I135-I142 HydrophobicContact CG2-CG1 3.75Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; I135-I151 HydrophobicContact CB-CD1 4.45Å; I135-I151 HydrophobicContact CB-CG2 4.34Å; I135-I151 HydrophobicContact CD1-CD1 3.98Å; I135-I151 HydrophobicContact CD1-CG2 4.13Å; I135-I151 HydrophobicContact CG2-CG2 3.93Å
136D98Very high97.7Very high43 Ų4350.7 Ų50.723%0.2324%0.236CC..  trans-80112.2168.4178.61.8000110.1G58 L113 F138 H139 I142G58-D136 PolarHBondContact O-N 3.35Å; L113-D136 HydrophobicContact CD2-CB 3.8Å; D136-F138 PolarHBondContact O-N 2.78Å; D136-F138 PolarHBondContact OD1-N 2.87Å; D136-H139 HydrophobicContact CB-CB 4.09Å; D136-I142 WeakPolarHBondContact O-CG1 3.38Å
137P97.9Very high97.6Very high4 Ų453.1 Ų53.13%0.02625%0.247CC..SBendtrans-72.6-13.2-178.932.2-36000114.1A112 R114 I135 R143 T152A112-P137 WeakPolarHBondContact O-CD 3.47Å; A112-P137 WeakPolarHBondContact O-CG 3.24Å; R114-P137 HydrophobicContact CG-CB 4.09Å; R114-P137 HydrophobicContact CG-CG 4.02Å; I135-P137 WeakPolarHBondContact O-CD 3.19Å; P137-R143 VanDerWaalsContact O-CG 3.29Å; P137-R143 WeakPolarHBondContact O-CG 3.33Å; P137-T152 HydrophobicContact CB-CG2 4.18Å
138F97Very high97.4Very high147 Ų14750.4 Ų50.465%0.64524%0.237SC*.SBendtrans-96-15.7-178.7-63.1-73.7000112.9D136 K140D136-F138 PolarHBondContact O-N 2.78Å; D136-F138 PolarHBondContact OD1-N 2.87Å; F138-K140 PolarHBondContact O-N 2.95Å
139H97.8Very high97.3Very high53 Ų5352.3 Ų52.325%0.24525%0.247CC..  trans-66.9129.8179.1-159.3-77.5000112.7Q57 D136 A141 I142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.01Å; Q57-H139 PolarHBondContact OE1-CE1 2.97Å; D136-H139 HydrophobicContact CB-CB 4.09Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 WeakPolarHBondContact ND1-CB 3.3Å; H139-A141 PolarHBondContact ND1-N 3.08Å; H139-A141 PolarHBondContact O-N 3.04Å; H139-I142 HydrophobicContact CB-CG1 4.19Å; H139-I142 WeakPolarHBondContact O-CB 3.41Å; H139-I142 PolarHBondContact O-N 2.82Å; H139-R143 PolarHBondContact O-N 2.98Å; H139-R143 VanDerWaalsContact O-N 3.11Å
140K97.7Very high97.2Very high146 Ų14656.4 Ų56.464%0.63526%0.262SS*.Hα-helixtrans-54-42.5-178-67179.7-177.7175.20112.6F138 I142 R143 R144F138-K140 PolarHBondContact O-N 2.95Å; K140-I142 PolarHBondContact O-N 3.09Å; K140-R143 PolarHBondContact O-N 3.48Å; K140-R144 WeakPolarHBondContact O-CB 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.47Å; K140-R144 PolarHBondContact O-N 3.15Å
141A97.1Very high97.2Very high31 Ų3156.1 Ų56.126%0.25626%0.261SS..Hα-helixtrans-63.7-18.7178.700000115.2K56 Q57 H139 N145K56-A141 PolarHBondContact NZ-O 2.87Å; Q57-A141 HydrophobicContact CB-CB 4.49Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 WeakPolarHBondContact ND1-CB 3.3Å; H139-A141 PolarHBondContact ND1-N 3.08Å; H139-A141 PolarHBondContact O-N 3.04Å; A141-N145 WeakPolarHBondContact O-CB 3.3Å
142I97.8Very high97.1Very high0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-90-47.5173.1-59.8-56.9000109.9Y59 I135 D136 H139 K140 R144 N145 T148 I151 T152Y59-I142 HydrophobicContact CD2-CD1 3.66Å; Y59-I142 HydrophobicContact CE2-CD1 3.55Å; I135-I142 HydrophobicContact CG2-CB 4.23Å; I135-I142 HydrophobicContact CG2-CD1 3.83Å; I135-I142 HydrophobicContact CG2-CG1 3.75Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; D136-I142 WeakPolarHBondContact O-CG1 3.38Å; H139-I142 HydrophobicContact CB-CG1 4.19Å; H139-I142 WeakPolarHBondContact O-CB 3.41Å; H139-I142 PolarHBondContact O-N 2.82Å; K140-I142 PolarHBondContact O-N 3.09Å; I142-R144 PolarHBondContact O-N 3.35Å; I142-N145 PolarHBondContact O-N 3.24Å; I142-T148 PolarHBondContact O-OG1 3.28Å; I142-I151 HydrophobicContact CG2-CG2 4.46Å; I142-T152 HydrophobicContact CG2-CG2 3.75Å
143R97Very high97Very high123 Ų12363.1 Ų63.146%0.46429%0.294SS..Hα-helixtrans-63.9-36.6-177.2-65.7-179.565.380.7-1.2113.4P137 H139 K140 Q149 T152P137-R143 VanDerWaalsContact O-CG 3.29Å; P137-R143 WeakPolarHBondContact O-CG 3.33Å; H139-R143 PolarHBondContact O-N 2.98Å; H139-R143 VanDerWaalsContact O-N 3.11Å; K140-R143 PolarHBondContact O-N 3.48Å; R143-Q149 WeakPolarHBondContact O-CG 3.43Å; R143-T152 HydrophobicContact CG-CG2 4.26Å
144R96.4Very high97Very high199 Ų19967.6 Ų67.675%0.75132%0.323SS*.THydrogen-bonded Turntrans-81.6-13.6-180-66.8179.3178.1-178.9-4.1113.8K140 I142K140-R144 WeakPolarHBondContact O-CB 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.47Å; K140-R144 PolarHBondContact O-N 3.15Å; I142-R144 PolarHBondContact O-N 3.35Å
145N95.4Very high96.9Very high39 Ų3972.1 Ų72.121%0.20935%0.35CS..  trans-96.1115.3-175.6-178.8-59.6000110.5K56 A141 I142 D147 T148 Q149K56-N145 VanDerWaalsContact NZ-CB 3.3Å; K56-N145 VanDerWaalsContact NZ-CG 3.27Å; K56-N145 PolarHBondContact NZ-ND2 3.07Å; A141-N145 WeakPolarHBondContact O-CB 3.3Å; I142-N145 PolarHBondContact O-N 3.24Å; N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 2.99Å; N145-D147 WeakPolarHBondContact OD1-CB 3.41Å; N145-D147 PolarHBondContact OD1-N 2.81Å; N145-D147 VanDerWaalsContact OD1-N 3.1Å; N145-T148 WeakPolarHBondContact CB-OG1 3.39Å; N145-T148 PolarHBondContact O-N 2.7Å; N145-T148 VanDerWaalsContact O-N 3.1Å; N145-T148 PolarHBondContact O-OG1 2.54Å; N145-Q149 WeakPolarHBondContact O-CB 3.41Å; N145-Q149 PolarHBondContact O-N 2.87Å
146P95.8Very high96.9Very high100 Ų10074.3 Ų74.365%0.64936%0.36SS*.Hα-helixtrans-60.9-35-172.722.5-33000113.3T148P146-T148 PolarHBondContact O-N 3.38Å
147D94.9Very high96.9Very high101 Ų10177.7 Ų77.754%0.5437%0.373SS..Hα-helixtrans-62.4-29.1179.1-54.3-19.3000113.1K54 N145 W150K54-D147 IonicContact NZ-OD2 2.71Å; K54-D147 PolarHBondContact NZ-OD2 2.7Å; N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 2.99Å; N145-D147 WeakPolarHBondContact OD1-CB 3.41Å; N145-D147 PolarHBondContact OD1-N 2.81Å; N145-D147 VanDerWaalsContact OD1-N 3.1Å; D147-W150 PolarHBondContact O-NE1 2.94Å; D147-W150 VanDerWaalsContact O-NE1 3.13Å
148T94.4Very high96.9Very high6 Ų680.5 Ų80.54%0.03739%0.385CS..Hα-helixtrans-111.7-19.6-172.957.30000113.1Y59 I142 N145 P146 W150 I151Y59-T148 HydrophobicContact CE2-CG2 4.23Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.41Å; I142-T148 PolarHBondContact O-OG1 3.28Å; N145-T148 WeakPolarHBondContact CB-OG1 3.39Å; N145-T148 PolarHBondContact O-N 2.7Å; N145-T148 VanDerWaalsContact O-N 3.1Å; N145-T148 PolarHBondContact O-OG1 2.54Å; P146-T148 PolarHBondContact O-N 3.38Å; T148-W150 PolarHBondContact O-N 3.38Å; T148-W150 VanDerWaalsContact O-N 3.13Å; T148-I151 VanDerWaalsContact O-CG2 3.26Å; T148-I151 WeakPolarHBondContact O-CG2 3.05Å; T148-I151 PolarHBondContact O-N 3.18Å; T148-I151 VanDerWaalsContact O-N 3.11Å
149Q95.6Very high97Very high96 Ų9675.1 Ų75.145%0.44936%0.361SS..Hα-helixtrans-57-31-175-174.2-174.922.100112.7R143 N145 I151 T152R143-Q149 WeakPolarHBondContact O-CG 3.43Å; N145-Q149 WeakPolarHBondContact O-CB 3.41Å; N145-Q149 PolarHBondContact O-N 2.87Å; Q149-I151 PolarHBondContact O-N 3.49Å; Q149-I151 VanDerWaalsContact O-N 3.11Å; Q149-T152 PolarHBondContact O-N 2.91Å; Q149-T152 PolarHBondContact O-OG1 2.89Å
150W97.8Very high97Very high89 Ų8972.8 Ų72.834%0.33735%0.35SS..G310 helixtrans-52.6-37.9177.968-91.3000112.3L116 D147 T148 T152 K153 H156L116-W150 HydrophobicContact CD1-CH2 4.29Å; L116-W150 HydrophobicContact CD1-CZ2 3.92Å; D147-W150 PolarHBondContact O-NE1 2.94Å; D147-W150 VanDerWaalsContact O-NE1 3.13Å; T148-W150 PolarHBondContact O-N 3.38Å; T148-W150 VanDerWaalsContact O-N 3.13Å; W150-T152 PolarHBondContact O-N 2.71Å; W150-K153 PolarHBondContact O-N 2.78Å; W150-H156 AromaticContact CE3-CD2 3.88Å; W150-H156 AromaticContact CE3-CE1 3.73Å; W150-H156 AromaticContact CE3-CG 4Å; W150-H156 AromaticContact CE3-ND1 3.92Å; W150-H156 AromaticContact CE3-NE2 3.71Å; W150-H156 AromaticContact CZ3-CE1 3.95Å; W150-H156 AromaticContact CZ3-ND1 3.78Å; W150-H156 PolarHBondContact O-CD2 2.54Å
151I97.2Very high96.9Very high0 Ų069.3 Ų69.30%034%0.337CS..G310 helixtrans-69-16.7-176.4-152175000113.2R114 L116 I135 I142 T148 Q149 K153R114-I151 HydrophobicContact CB-CD1 3.74Å; R114-I151 HydrophobicContact CB-CG1 3.9Å; R114-I151 HydrophobicContact CG-CG1 4.41Å; L116-I151 HydrophobicContact CB-CD1 4.41Å; L116-I151 HydrophobicContact CD1-CD1 4.11Å; I135-I151 HydrophobicContact CB-CD1 4.45Å; I135-I151 HydrophobicContact CB-CG2 4.34Å; I135-I151 HydrophobicContact CD1-CD1 3.98Å; I135-I151 HydrophobicContact CD1-CG2 4.13Å; I135-I151 HydrophobicContact CG2-CG2 3.93Å; I142-I151 HydrophobicContact CG2-CG2 4.46Å; T148-I151 VanDerWaalsContact O-CG2 3.26Å; T148-I151 WeakPolarHBondContact O-CG2 3.05Å; T148-I151 PolarHBondContact O-N 3.18Å; T148-I151 VanDerWaalsContact O-N 3.11Å; Q149-I151 PolarHBondContact O-N 3.49Å; Q149-I151 VanDerWaalsContact O-N 3.11Å; I151-K153 VanDerWaalsContact C-N 3.33Å
152T97.3Very high96.9Very high27 Ų2773.6 Ų73.617%0.16635%0.347CS..G310 helixtrans-81.1-14.5-179.675.20000112.6P137 I142 R143 Q149 W150P137-T152 HydrophobicContact CB-CG2 4.18Å; I142-T152 HydrophobicContact CG2-CG2 3.75Å; R143-T152 HydrophobicContact CG-CG2 4.26Å; Q149-T152 PolarHBondContact O-N 2.91Å; Q149-T152 PolarHBondContact O-OG1 2.89Å; W150-T152 PolarHBondContact O-N 2.71Å
153K97.5Very high96.8Very high120 Ų12074.1 Ų74.152%0.52235%0.352SS..SBendtrans-65.8145.4178.9-56.9179.6177.4-175.80110.7W150 I151 V155 H156W150-K153 PolarHBondContact O-N 2.78Å; I151-K153 VanDerWaalsContact C-N 3.33Å; K153-V155 HydrophobicContact CB-CG2 4.15Å; K153-V155 PolarHBondContact O-N 2.77Å; K153-V155 VanDerWaalsContact O-N 3.14Å; K153-H156 PolarHBondContact O-N 3.4Å
154P97.2Very high96.8Very high94 Ų9470.9 Ų70.961%0.6134%0.344SS*.G310 helixtrans-59.5-30-175.522-33.7000113.7H156 K157P154-H156 PolarHBondContact O-N 2.99Å; P154-H156 VanDerWaalsContact O-N 3.11Å; P154-K157 WeakPolarHBondContact O-CB 3.4Å; P154-K157 VanDerWaalsContact O-CG 3.26Å; P154-K157 WeakPolarHBondContact O-CG 3.47Å; P154-K157 PolarHBondContact O-N 3.25Å; P154-K157 VanDerWaalsContact O-N 3.12Å
155V97.7Very high96.9Very high95 Ų9561.5 Ų61.558%0.57631%0.308SS*.G310 helixtrans-63.3-15.4176.5-59.60000113.9K153 R162K153-V155 HydrophobicContact CB-CG2 4.15Å; K153-V155 PolarHBondContact O-N 2.77Å; K153-V155 VanDerWaalsContact O-N 3.14Å; V155-R162 PolarHBondContact O-NH1 3.22Å; V155-R162 PolarHBondContact O-NH2 3.02Å
156H97.5Very high97Very high48 Ų4862.2 Ų62.222%0.22232%0.316CS..G310 helixtrans-99.612177.9-63.2-62.8000113.7W150 K153 P154 R159W150-H156 AromaticContact CE3-CD2 3.88Å; W150-H156 AromaticContact CE3-CE1 3.73Å; W150-H156 AromaticContact CE3-CG 4Å; W150-H156 AromaticContact CE3-ND1 3.92Å; W150-H156 AromaticContact CE3-NE2 3.71Å; W150-H156 AromaticContact CZ3-CE1 3.95Å; W150-H156 AromaticContact CZ3-ND1 3.78Å; W150-H156 PolarHBondContact O-CD2 2.54Å; K153-H156 PolarHBondContact O-N 3.4Å; P154-H156 PolarHBondContact O-N 2.99Å; P154-H156 VanDerWaalsContact O-N 3.11Å; H156-R159 HydrophobicContact CB-CG 4.38Å; H156-R159 WeakPolarHBondContact O-CG 3.49Å
157K97.8Very high97Very high113 Ų11357.5 Ų57.549%0.49129%0.286SS..THydrogen-bonded Turntrans-60.3139.1166.4-71.4176.1-179.9-175.30110.9P154 R159 R162P154-K157 WeakPolarHBondContact O-CB 3.4Å; P154-K157 VanDerWaalsContact O-CG 3.26Å; P154-K157 WeakPolarHBondContact O-CG 3.47Å; P154-K157 PolarHBondContact O-N 3.25Å; P154-K157 VanDerWaalsContact O-N 3.12Å; K157-R159 PolarHBondContact O-N 3.13Å; K157-R162 PolarHBondContact O-NE 2.89Å; K157-R162 PolarHBondContact O-NH2 3.34Å
158H97.9Very high97.1Very high63 Ų6352.9 Ų52.929%0.29226%0.262SS..THydrogen-bonded Turntrans42.353.4173.9-61.5-57.7000115.8E160 M161 R162H158-E160 VanDerWaalsContact C-N 3.27Å; H158-E160 VanDerWaalsContact C-OE2 3.32Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.3Å; H158-E160 WeakPolarHBondContact CA-OE2 3.17Å; H158-E160 IonicContact CG-OE1 3.72Å; H158-E160 IonicContact ND1-OE1 3.18Å; H158-E160 PolarHBondContact ND1-OE1 3.06Å; H158-E160 PolarHBondContact O-N 3.38Å; H158-M161 HydrophobicContact CB-CB 4.2Å; H158-M161 HydrophobicContact CB-CE 4.4Å; H158-M161 HydrophobicContact CB-CG 4.05Å; H158-M161 HydrophobicContact CB-SD 3.97Å; H158-M161 WeakPolarHBondContact ND1-CE 3.39Å; H158-M161 PolarHBondContact O-N 2.73Å; H158-R162 PolarHBondContact O-N 3.04Å
159R98.1Very high97.2Very high34 Ų3459.5 Ų59.513%0.12829%0.286CS..THydrogen-bonded Turntrans-63.2-35.1179-72.6172.668.7-119.52.5112.2V115 L116 H156 K157 M161 R162 G163 L164V115-R159 PolarHBondContact O-NH1 2.71Å; V115-R159 VanDerWaalsContact O-NH1 3.1Å; L116-R159 PolarHBondContact O-NH1 3.38Å; H156-R159 HydrophobicContact CB-CG 4.38Å; H156-R159 WeakPolarHBondContact O-CG 3.49Å; K157-R159 PolarHBondContact O-N 3.13Å; R159-M161 VanDerWaalsContact C-N 3.35Å; R159-R162 CarbonylContact O-C 3.57Å; R159-R162 PolarHBondContact O-N 2.81Å; R159-G163 PolarHBondContact O-N 3.21Å; R159-G163 VanDerWaalsContact O-N 3.11Å; R159-L164 HydrophobicContact CB-CB 4.04Å; R159-L164 HydrophobicContact CG-CB 4.37Å; R159-L164 HydrophobicContact CG-CD1 4.4Å; R159-L164 PolarHBondContact NH2-O 3.4Å; R159-L164 PolarHBondContact O-N 3.24Å
160E97.9Very high97.1Very high4 Ų463.4 Ų63.42%0.01930%0.302CS..THydrogen-bonded Turntrans-60.8-40.6176.168.3-67.6163.200112.1E103 V115 H158 G163 T165E103-E160 HydrophobicContact CB-CB 3.99Å; V115-E160 HydrophobicContact CB-CB 4.17Å; V115-E160 HydrophobicContact CB-CG 4.38Å; V115-E160 HydrophobicContact CG1-CB 4.33Å; V115-E160 HydrophobicContact CG2-CB 4.2Å; V115-E160 HydrophobicContact CG2-CG 3.93Å; H158-E160 VanDerWaalsContact C-N 3.27Å; H158-E160 VanDerWaalsContact C-OE2 3.32Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.3Å; H158-E160 WeakPolarHBondContact CA-OE2 3.17Å; H158-E160 IonicContact CG-OE1 3.72Å; H158-E160 IonicContact ND1-OE1 3.18Å; H158-E160 PolarHBondContact ND1-OE1 3.06Å; H158-E160 PolarHBondContact O-N 3.38Å; E160-G163 PolarHBondContact O-N 3.01Å; E160-T165 HydrophobicContact CB-CG2 4.06Å
161M97.2Very high96.9Very high73 Ų7361.2 Ų61.236%0.3630%0.3SS..THydrogen-bonded Turntrans-73.5-29.7179.1-57-172.7-16700112.3E104 R108 H158 R159 G163E104-M161 HydrophobicContact CG-CG 4.35Å; R108-M161 HydrophobicContact CB-CE 4.29Å; R108-M161 HydrophobicContact CG-CE 3.44Å; R108-M161 VanDerWaalsContact CG-CE 3.44Å; H158-M161 HydrophobicContact CB-CB 4.2Å; H158-M161 HydrophobicContact CB-CE 4.4Å; H158-M161 HydrophobicContact CB-CG 4.05Å; H158-M161 HydrophobicContact CB-SD 3.97Å; H158-M161 WeakPolarHBondContact ND1-CE 3.39Å; H158-M161 PolarHBondContact O-N 2.73Å; R159-M161 VanDerWaalsContact C-N 3.35Å; M161-G163 VanDerWaalsContact C-N 3.35Å
162R96.7Very high96.9Very high121 Ų12164.9 Ų64.946%0.45731%0.314SS..THydrogen-bonded Turntrans-88.71.8176.5-63.4-177.7-66.4141.1-2.5113.8V155 K157 H158 R159 L164V155-R162 PolarHBondContact O-NH1 3.22Å; V155-R162 PolarHBondContact O-NH2 3.02Å; K157-R162 PolarHBondContact O-NE 2.89Å; K157-R162 PolarHBondContact O-NH2 3.34Å; H158-R162 PolarHBondContact O-N 3.04Å; R159-R162 CarbonylContact O-C 3.57Å; R159-R162 PolarHBondContact O-N 2.81Å; R162-L164 HydrophobicContact CB-CD1 4.23Å; R162-L164 HydrophobicContact CB-CG 4.08Å; R162-L164 VanDerWaalsContact CZ-CD1 3.5Å; R162-L164 PolarHBondContact O-N 3.29Å
163G95.9Very high96.7Very high11 Ų1164.7 Ų64.711%0.11332%0.317CS..THydrogen-bonded Turntrans63.237.8-179.500000113.6R159 E160 M161 G168 R169 R172R159-G163 PolarHBondContact O-N 3.21Å; R159-G163 VanDerWaalsContact O-N 3.11Å; E160-G163 PolarHBondContact O-N 3.01Å; M161-G163 VanDerWaalsContact C-N 3.35Å; G163-G168 CarbonylContact O-C 3.57Å; G163-R169 PolarHBondContact O-N 3.07Å; G163-R172 WeakPolarHBondContact O-CD 3.42Å; G163-R172 PolarHBondContact O-NH1 3.02Å
164L97Very high96.5Very high56 Ų5661.3 Ų61.329%0.29331%0.305SS..  trans-97.8-8.7177.7-61.5178.9000113.4R159 R162R159-L164 HydrophobicContact CB-CB 4.04Å; R159-L164 HydrophobicContact CG-CB 4.37Å; R159-L164 HydrophobicContact CG-CD1 4.4Å; R159-L164 PolarHBondContact NH2-O 3.4Å; R159-L164 PolarHBondContact O-N 3.24Å; R162-L164 HydrophobicContact CB-CD1 4.23Å; R162-L164 HydrophobicContact CB-CG 4.08Å; R162-L164 VanDerWaalsContact CZ-CD1 3.5Å; R162-L164 PolarHBondContact O-N 3.29Å
165T97.7Very high96.2Very high1 Ų158.9 Ų58.91%0.00630%0.297CS..SBendtrans-69.3166.7169.457.10000111.2E103 V115 E160 A167 G168 R169E103-T165 WeakPolarHBondContact OE2-CB 3.41Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.32Å; E103-T165 PolarHBondContact OE2-OG1 3.29Å; V115-T165 HydrophobicContact CG1-CG2 4.05Å; E160-T165 HydrophobicContact CB-CG2 4.06Å; T165-A167 VanDerWaalsContact C-N 3.31Å; T165-A167 PolarHBondContact O-N 3.06Å; T165-G168 PolarHBondContact O-N 3.31Å; T165-G168 PolarHBondContact OG1-N 3.01Å; T165-R169 WeakPolarHBondContact O-CB 3.25Å; T165-R169 VanDerWaalsContact O-CG 3.31Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 2.72Å
166S96.9Very high95.9Very high54 Ų5463.9 Ų63.938%0.37831%0.311SS..Hα-helixtrans-57.5-43.6179.668.30000112.1N117 K170N117-S166 PolarHBondContact OD1-OG 3.19Å; S166-K170 PolarHBondContact O-N 3.46Å; S166-K170 VanDerWaalsContact O-N 3.1Å
167A97.6Very high95.7Very high2 Ų264.4 Ų64.42%0.01733%0.329CS..Hα-helixtrans-66.1-42.6177.500000112.1Q99 T165 K170 S171Q99-A167 HydrophobicContact CB-CB 4.01Å; Q99-A167 HydrophobicContact CG-CB 3.76Å; T165-A167 VanDerWaalsContact C-N 3.31Å; T165-A167 PolarHBondContact O-N 3.06Å; A167-K170 PolarHBondContact O-N 2.86Å; A167-S171 PolarHBondContact O-N 3.4Å
168G96.6Very high95.4Very high3 Ų366.2 Ų66.23%0.03134%0.339CS..Hα-helixtrans-63.1-45.6176.100000112.9G163 T165 K170 S171 R172G163-G168 CarbonylContact O-C 3.57Å; T165-G168 PolarHBondContact O-N 3.31Å; T165-G168 PolarHBondContact OG1-N 3.01Å; G168-K170 VanDerWaalsContact C-N 3.32Å; G168-K170 PolarHBondContact O-N 3.34Å; G168-S171 PolarHBondContact O-N 3.32Å; G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.34Å
169R95.6Very high95.2Very high146 Ų14671 Ų7155%0.55136%0.359SS*.Hα-helixtrans-60.6-40.8176.8-71.2-18069.7162.83.1111.9G163 T165 R172 G173 L174G163-R169 PolarHBondContact O-N 3.07Å; T165-R169 WeakPolarHBondContact O-CB 3.25Å; T165-R169 VanDerWaalsContact O-CG 3.31Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 2.72Å; R169-R172 PolarHBondContact O-N 3.43Å; R169-G173 PolarHBondContact O-N 3.15Å; R169-L174 HydrophobicContact CB-CD1 4.3Å; R169-L174 HydrophobicContact CG-CD1 4.15Å; R169-L174 PolarHBondContact O-N 3.48Å
170K94.8Very high95Very high178 Ų17873 Ų7377%0.77437%0.369SS*.Hα-helixtrans-62-48.8175.2-174.8174.3-179.5175.80111.4S166 A167 G168 R172 G173S166-K170 PolarHBondContact O-N 3.46Å; S166-K170 VanDerWaalsContact O-N 3.1Å; A167-K170 PolarHBondContact O-N 2.86Å; G168-K170 VanDerWaalsContact C-N 3.32Å; G168-K170 PolarHBondContact O-N 3.34Å; K170-R172 PolarHBondContact O-N 3.21Å; K170-G173 PolarHBondContact O-N 3.12Å; K170-G173 VanDerWaalsContact O-N 3.08Å
171S93.8Very high94.7Very high42 Ų4276.7 Ų76.729%0.29439%0.386SS..Hα-helixtrans-63.6-27.3177.9-74.10000113.5S97 A167 G168 G173S97-S171 PolarHBondContact N-OG 2.85Å; A167-S171 PolarHBondContact O-N 3.4Å; G168-S171 PolarHBondContact O-N 3.32Å; S171-G173 VanDerWaalsContact C-N 3.26Å; S171-G173 PolarHBondContact O-N 3.29Å
172R95.4Very high94.5Very high77 Ų7778.3 Ų78.329%0.29139%0.392SS..THydrogen-bonded Turntrans-74.3-12.6174.9-74.2171.361.5-179.31114.1G163 G168 R169 K170 L174 G186G163-R172 WeakPolarHBondContact O-CD 3.42Å; G163-R172 PolarHBondContact O-NH1 3.02Å; G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.34Å; R169-R172 PolarHBondContact O-N 3.43Å; K170-R172 PolarHBondContact O-N 3.21Å; R172-L174 HydrophobicContact CB-CD1 4.38Å; R172-L174 HydrophobicContact CB-CD2 4.38Å; R172-L174 HydrophobicContact CB-CG 3.9Å; R172-G186 PolarHBondContact NH2-O 3.41Å
173G94Very high94.5Very high23 Ų2373.1 Ų73.124%0.23737%0.374CS..THydrogen-bonded Turntrans63.644.4-17500000112.1R169 K170 S171 F180 T183R169-G173 PolarHBondContact O-N 3.15Å; K170-G173 PolarHBondContact O-N 3.12Å; K170-G173 VanDerWaalsContact O-N 3.08Å; S171-G173 VanDerWaalsContact C-N 3.26Å; S171-G173 PolarHBondContact O-N 3.29Å; G173-F180 WeakPolarHBondContact O-CD1 3.48Å; G173-T183 WeakPolarHBondContact O-CG2 3.49Å; G173-T183 PolarHBondContact O-OG1 3.44Å; G173-T183 VanDerWaalsContact O-OG1 3.08Å
174L93.7Very high94.3Very high49 Ų4977 Ų7726%0.25739%0.391SS..  trans-85.6133.4172.3-57.7179.4000109.6R169 R172 T183 G186R169-L174 HydrophobicContact CB-CD1 4.3Å; R169-L174 HydrophobicContact CG-CD1 4.15Å; R169-L174 PolarHBondContact O-N 3.48Å; R172-L174 HydrophobicContact CB-CD1 4.38Å; R172-L174 HydrophobicContact CB-CD2 4.38Å; R172-L174 HydrophobicContact CB-CG 3.9Å; L174-T183 HydrophobicContact CD2-CG2 4.2Å; L174-G186 WeakPolarHBondContact CD2-O 3.49Å
175G91.2Very high93.9Very high44 Ų4477.8 Ų77.845%0.45441%0.413SS..  trans-170.3-167.7179.600000112
176K91.4Very high93.6Very high200 Ų20079.6 Ų79.687%0.8743%0.431SS*.SBendtrans-121.4146.8-179.5-63-174.8177.9-173.70110.2F180K176-F180 WeakPolarHBondContact O-CD2 3.28Å; K176-F180 VanDerWaalsContact O-CE2 3.3Å; K176-F180 WeakPolarHBondContact O-CE2 3.45Å
177G92Very high93.5Very high58 Ų5878.8 Ų78.860%0.59843%0.426SS*.SBendtrans97173.8178.400000114.5K179 F180G177-K179 PolarHBondContact O-N 3.01Å; G177-K179 VanDerWaalsContact O-N 3.09Å; G177-F180 PolarHBondContact O-N 3.37Å
178H92.6Very high93.4Very high152 Ų15286.4 Ų86.470%0.70445%0.454SS*.G310 helixtrans-55.4-31.3-17264.7-93000113.9F180 H181H178-F180 PolarHBondContact O-N 3.18Å; H178-F180 VanDerWaalsContact O-N 3.15Å; H178-H181 WeakPolarHBondContact O-CB 3.47Å; H178-H181 PolarHBondContact O-N 3.08Å; H178-H181 PolarHBondContact O-ND1 3.12Å
179K93.4Very high93.3Very high163 Ų16394.9 Ų94.971%0.70949%0.485SS*.G310 helixtrans-64.8-17.1178.5-59.8-171.4178.7178.80113.9G177G177-K179 PolarHBondContact O-N 3.01Å; G177-K179 VanDerWaalsContact O-N 3.09Å
180F93.4Very high93.3Very high76 Ų7689.9 Ų89.933%0.33348%0.475SS..G310 helixtrans-105.619.6-178.2-58.9-86.3000113.1G173 K176 G177 H178 H182 T183G173-F180 WeakPolarHBondContact O-CD1 3.48Å; K176-F180 WeakPolarHBondContact O-CD2 3.28Å; K176-F180 VanDerWaalsContact O-CE2 3.3Å; K176-F180 WeakPolarHBondContact O-CE2 3.45Å; G177-F180 PolarHBondContact O-N 3.37Å; H178-F180 PolarHBondContact O-N 3.18Å; H178-F180 VanDerWaalsContact O-N 3.15Å; F180-H182 PolarHBondContact O-N 3.47Å; F180-H182 VanDerWaalsContact O-N 3.11Å; F180-T183 PolarHBondContact O-N 2.97Å; F180-T183 PolarHBondContact O-OG1 3.2Å; F180-T183 VanDerWaalsContact O-OG1 3.14Å
181H92.5Very high93.4Very high81 Ų8181.4 Ų81.438%0.37544%0.438SS..G310 helixtrans-58.4-28-177.167.5-79.9000113.7H178 T183 I184 R195H178-H181 WeakPolarHBondContact O-CB 3.47Å; H178-H181 PolarHBondContact O-N 3.08Å; H178-H181 PolarHBondContact O-ND1 3.12Å; H181-T183 PolarHBondContact O-N 3.36Å; H181-I184 HydrophobicContact CB-CD1 3.98Å; H181-R195 PolarHBondContact O-NH2 3.06Å
182H93.3Very high93.5Very high108 Ų10886.9 Ų86.950%0.545%0.453SS..G310 helixtrans-67.4-15.2175.4-66.6-65.9000114.5F180 R188 A191F180-H182 PolarHBondContact O-N 3.47Å; F180-H182 VanDerWaalsContact O-N 3.11Å; H182-R188 WeakPolarHBondContact O-CA 3.46Å; H182-A191 WeakPolarHBondContact O-CB 3.41Å
183T95Very high93.6Very high12 Ų1290.4 Ų90.47%0.07447%0.466CS..G310 helixtrans-116.410.9-178.354.40000113.6G173 L174 F180 H181 G185 G186 R188G173-T183 WeakPolarHBondContact O-CG2 3.49Å; G173-T183 PolarHBondContact O-OG1 3.44Å; G173-T183 VanDerWaalsContact O-OG1 3.08Å; L174-T183 HydrophobicContact CD2-CG2 4.2Å; F180-T183 PolarHBondContact O-N 2.97Å; F180-T183 PolarHBondContact O-OG1 3.2Å; F180-T183 VanDerWaalsContact O-OG1 3.14Å; H181-T183 PolarHBondContact O-N 3.36Å; T183-G185 PolarHBondContact O-N 3.24Å; T183-G186 PolarHBondContact O-N 3.2Å; T183-R188 HydrophobicContact CG2-CG 3.6Å
184I92.3Very high93.6Very high93 Ų9395.6 Ų95.648%0.47748%0.478SS..THydrogen-bonded Turntrans-55.1128171.9-66.1170.4000109.4H181 A191H181-I184 HydrophobicContact CB-CD1 3.98Å; I184-A191 WeakPolarHBondContact O-CB 3.23Å
185G89.2Confident93.7Very high72 Ų7298.6 Ų98.674%0.74249%0.486SS*.THydrogen-bonded Turntrans8610.1-17200000114.4T183T183-G185 PolarHBondContact O-N 3.24Å
186G90.8Very high93.9Very high38 Ų38101.1 Ų101.139%0.39249%0.489SS..SBendtrans100.3-21.3164.500000116R172 L174 T183R172-G186 PolarHBondContact NH2-O 3.41Å; L174-G186 WeakPolarHBondContact CD2-O 3.49Å; T183-G186 PolarHBondContact O-N 3.2Å
187S94.6Very high94.1Very high38 Ų3895.1 Ų95.127%0.26647%0.47SS..SBendtrans-150.3153.8173.678.40000112.7R189 A190 A191S187-R189 VanDerWaalsContact C-N 3.29Å; S187-R189 PolarHBondContact O-N 3.11Å; S187-A190 PolarHBondContact O-N 3.06Å; S187-A190 VanDerWaalsContact OG-CB 3.23Å; S187-A190 WeakPolarHBondContact OG-CB 3.48Å; S187-A190 PolarHBondContact OG-N 3.03Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 2.94Å
188R94.9Very high94.3Very high161 Ų16199 Ų9961%0.60848%0.476SS*.Hα-helixtrans-58.3-40.6176.5-64.2-174-178.2-178.4-3.9112.6H182 T183 A191 W192H182-R188 WeakPolarHBondContact O-CA 3.46Å; T183-R188 HydrophobicContact CG2-CG 3.6Å; R188-A191 PolarHBondContact O-N 3.36Å; R188-W192 WeakPolarHBondContact O-CB 3.42Å; R188-W192 PolarHBondContact O-N 3.43Å
189R95.8Very high94.4Very high181 Ų18197.5 Ų97.568%0.68347%0.469SS*.Hα-helixtrans-68.1-42.2179.2-174.9178.2-73176.3-4.6111.9S187 W192 R193S187-R189 VanDerWaalsContact C-N 3.29Å; S187-R189 PolarHBondContact O-N 3.11Å; R189-W192 PolarHBondContact O-N 2.97Å; R189-R193 WeakPolarHBondContact O-CG 3.31Å; R189-R193 PolarHBondContact O-N 3.09Å
190A95.9Very high94.5Very high41 Ų4194.6 Ų94.634%0.33946%0.461SS..Hα-helixtrans-64.7-43.9175.800000111.5S187 W192 R193 R194S187-A190 PolarHBondContact O-N 3.06Å; S187-A190 VanDerWaalsContact OG-CB 3.23Å; S187-A190 WeakPolarHBondContact OG-CB 3.48Å; S187-A190 PolarHBondContact OG-N 3.03Å; A190-W192 VanDerWaalsContact C-N 3.34Å; A190-W192 PolarHBondContact O-N 3.11Å; A190-R193 PolarHBondContact O-N 3.11Å; A190-R194 WeakPolarHBondContact O-CB 3.5Å; A190-R194 PolarHBondContact O-N 3.46Å
191A96.3Very high94.6Very high0 Ų097.6 Ų97.60%048%0.476CS..Hα-helixtrans-60.6-42.5175.200000112.2H182 I184 S187 R188 R195H182-A191 WeakPolarHBondContact O-CB 3.41Å; I184-A191 WeakPolarHBondContact O-CB 3.23Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 2.94Å; R188-A191 PolarHBondContact O-N 3.36Å; A191-R195 WeakPolarHBondContact O-CG 3.45Å; A191-R195 PolarHBondContact O-N 3.02Å
192W96.3Very high94.7Very high158 Ų158104 Ų10460%0.59850%0.496SS*.Hα-helixtrans-63.8-49.6176179.686.1000111.5R188 R189 A190 R194 R195 N196R188-W192 WeakPolarHBondContact O-CB 3.42Å; R188-W192 PolarHBondContact O-N 3.43Å; R189-W192 PolarHBondContact O-N 2.97Å; A190-W192 VanDerWaalsContact C-N 3.34Å; A190-W192 PolarHBondContact O-N 3.11Å; W192-R194 PolarHBondContact O-N 3.13Å; W192-R195 PolarHBondContact O-N 3.2Å; W192-R195 VanDerWaalsContact O-N 3.16Å; W192-N196 VanDerWaalsContact CD1-ND2 3.29Å; W192-N196 HydrophobicContact CZ2-CB 4.29Å; W192-N196 PolarHBondContact NE1-ND2 2.87Å; W192-N196 WeakPolarHBondContact O-CB 3.42Å; W192-N196 PolarHBondContact O-N 3.4Å; W192-N196 PolarHBondContact O-ND2 3.46Å
193R96.3Very high94.6Very high150 Ų150107 Ų10757%0.56651%0.505SS*.Hα-helixtrans-54.8-54.5177.3-76-179.3179.9-178.6-3.9111R189 A190 R195 N196 T197R189-R193 WeakPolarHBondContact O-CG 3.31Å; R189-R193 PolarHBondContact O-N 3.09Å; A190-R193 PolarHBondContact O-N 3.11Å; R193-R195 PolarHBondContact O-N 3.39Å; R193-R195 VanDerWaalsContact O-N 3.1Å; R193-N196 CarbonylContact O-C 3.53Å; R193-N196 PolarHBondContact O-N 3.29Å; R193-T197 WeakPolarHBondContact O-CB 3.25Å; R193-T197 PolarHBondContact O-N 2.61Å; R193-T197 PolarHBondContact O-OG1 2.93Å
194R95Very high94.1Very high132 Ų132118.8 Ų118.850%0.49855%0.548SS..Hα-helixtrans-53.8-35.8179.6-174.8-172.753.768.10.9113.6A190 W192A190-R194 WeakPolarHBondContact O-CB 3.5Å; A190-R194 PolarHBondContact O-N 3.46Å; W192-R194 PolarHBondContact O-N 3.13Å
195R94.7Very high94.2Very high112 Ų112120.1 Ų120.142%0.42355%0.551SS.*Hα-helixtrans-81.2-26.5179.3-71177.5-177.2130.94.9114.1H181 A191 W192 R193H181-R195 PolarHBondContact O-NH2 3.06Å; A191-R195 WeakPolarHBondContact O-CG 3.45Å; A191-R195 PolarHBondContact O-N 3.02Å; W192-R195 PolarHBondContact O-N 3.2Å; W192-R195 VanDerWaalsContact O-N 3.16Å; R193-R195 PolarHBondContact O-N 3.39Å; R193-R195 VanDerWaalsContact O-N 3.1Å
196N96.3Very high94.4Very high97 Ų97122.6 Ų122.652%0.51954%0.541SS..Hα-helixtrans-104.4-5.1-175.6-68.4-94.9000112.4W192 R193 L198W192-N196 VanDerWaalsContact CD1-ND2 3.29Å; W192-N196 HydrophobicContact CZ2-CB 4.29Å; W192-N196 PolarHBondContact NE1-ND2 2.87Å; W192-N196 WeakPolarHBondContact O-CB 3.42Å; W192-N196 PolarHBondContact O-N 3.4Å; W192-N196 PolarHBondContact O-ND2 3.46Å; R193-N196 CarbonylContact O-C 3.53Å; R193-N196 PolarHBondContact O-N 3.29Å; N196-L198 PolarHBondContact O-N 3.06Å
197T96.4Very high94.6Very high75 Ų75127.3 Ų127.346%0.4655%0.549SS..SBendtrans-76.9110.9170.5-60.40000108.7R193 Q199R193-T197 WeakPolarHBondContact O-CB 3.25Å; R193-T197 PolarHBondContact O-N 2.61Å; R193-T197 PolarHBondContact O-OG1 2.93Å; T197-Q199 VanDerWaalsContact CG2-NE2 3.31Å; T197-Q199 PolarHBondContact O-N 2.87Å
198L96.1Very high94.6Very high138 Ų138132.5 Ų132.572%0.72357%0.566SS**  trans-62118.9167179.262.8000109N196 L200N196-L198 PolarHBondContact O-N 3.06Å; L198-L200 HydrophobicContact CD1-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CD1 4.33Å; L198-L200 HydrophobicContact CD2-CD2 3.81Å; L198-L200 HydrophobicContact CD2-CG 4.23Å; L198-L200 HydrophobicContact CG-CD2 3.62Å; L198-L200 HydrophobicContact CG-CG 4.05Å
199Q94.4Very high94.6Very high121 Ų121130.8 Ų130.857%0.56556%0.563SS**  trans-91.3121.2176.3-59-62.8-39.500108.6T197T197-Q199 VanDerWaalsContact CG2-NE2 3.31Å; T197-Q199 PolarHBondContact O-N 2.87Å
200L95.3Very high94.5Very high102 Ų102127.4 Ų127.453%0.53456%0.555SS.*  trans-117.2100.6177.4-57.7-175.6000108.2L198L198-L200 HydrophobicContact CD1-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CD1 4.33Å; L198-L200 HydrophobicContact CD2-CD2 3.81Å; L198-L200 HydrophobicContact CD2-CG 4.23Å; L198-L200 HydrophobicContact CG-CD2 3.62Å; L198-L200 HydrophobicContact CG-CG 4.05Å
201H94.6Very high94.4Very high140 Ų140133.6 Ų133.665%0.64857%0.571SS**  trans-74.8158.1177.9-64.5-77.9000111Y203H201-Y203 WeakPolarHBondContact CB-O 3.32Å; H201-Y203 PolarHBondContact O-N 3.3Å
202R94.7Very high94.3Very high215 Ų215143.8 Ų143.881%0.81162%0.615SS**SBendtrans-57.3-35.8-178.6-172.4173.278-176.47.3112.5
203Y92.5Very high94.1Very high172 Ų172142.7 Ų142.768%0.67562%0.616SS**  trans-120136170.6-51-76.2000107.4H201H201-Y203 WeakPolarHBondContact CB-O 3.32Å; H201-Y203 PolarHBondContact O-N 3.3Å
204R83.4Confident93.9Very high258 Ų258142 Ų14297%0.97462%0.621SS**  trans-107.50172.7-66.5-169.3-167.2174.110.5109.6

Retrieved 204 of 204 residues in 55.6 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).