A0A087X764_POEFO Loading...

Kynurenine formamidase

Catalyzes the hydrolysis of N-formyl-L-kynurenine to L-kynurenine, the second step in the kynurenine pathway of tryptophan degradation. Kynurenine may be further oxidized to nicotinic acid, NAD(H) and NADP(H). Required for elimination of toxic metabolites.

AlphaFold DB , UniProt , Accession A0A087X764, Species POEFO (Poecilia formosa, Amazon molly), Gene AFMID, Length 292 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
1M65.4Low90.6Very high141 Ų14195.4 Ų95.470%0.69545%0.448SS*.  0132.70-170.4176.2-6700106.7E5 M6M1-E5 HydrophobicContact CG-CB 3.87Å; M1-M6 HydrophobicContact CB-CE 4.17Å; M1-M6 HydrophobicContact CG-CG 4.16Å; M1-M6 HydrophobicContact SD-CG 3.76Å
2H86.2Confident91.2Very high88 Ų8889.8 Ų89.841%0.40742%0.422SS..  trans-72.6144.2175.2-166.7-88.1000108.7M4 E5H2-M4 VanDerWaalsContact CE1-SD 3.54Å; H2-M4 WeakPolarHBondContact ND1-CB 3.31Å; H2-M4 WeakPolarHBondContact ND1-CG 3.43Å; H2-M4 PolarHBondContact ND1-N 2.73Å; H2-M4 PolarHBondContact O-N 2.9Å; H2-M4 VanDerWaalsContact O-N 3.15Å; H2-E5 HydrophobicContact CB-CG 4.14Å; H2-E5 PolarHBondContact N-OE2 2.73Å; H2-E5 WeakPolarHBondContact O-CB 3.48Å; H2-E5 PolarHBondContact O-N 2.64Å
3W88.9Confident91.7Very high44 Ų4489.4 Ų89.417%0.16742%0.418CS..G310 helixtrans-60.6-29.5-175.364.8-97.2000112.7E5 M6 L11 L188 P189 P192W3-E5 PolarHBondContact O-N 3.06Å; W3-M6 WeakPolarHBondContact O-CB 3.17Å; W3-M6 PolarHBondContact O-N 3.18Å; W3-M6 VanDerWaalsContact O-N 3.17Å; W3-L11 HydrophobicContact CB-CD1 3.85Å; W3-L11 HydrophobicContact CE3-CD2 4.34Å; W3-L188 HydrophobicContact CZ2-CB 4.15Å; W3-P189 HydrophobicContact CB-CB 4.18Å; W3-P189 HydrophobicContact CD2-CB 3.86Å; W3-P189 HydrophobicContact CD2-CG 4.13Å; W3-P189 HydrophobicContact CE3-CB 4.34Å; W3-P189 HydrophobicContact CG-CB 3.78Å; W3-P189 HydrophobicContact CG-CG 3.95Å; W3-P192 HydrophobicContact CZ3-CG 4.4Å
4M89.7Confident92.1Very high130 Ų13084.4 Ų84.464%0.6439%0.394SS*.G310 helixtrans-64.2-18.9174-63.5175.4-179.800113.8H2H2-M4 VanDerWaalsContact CE1-SD 3.54Å; H2-M4 WeakPolarHBondContact ND1-CB 3.31Å; H2-M4 WeakPolarHBondContact ND1-CG 3.43Å; H2-M4 PolarHBondContact ND1-N 2.73Å; H2-M4 PolarHBondContact O-N 2.9Å; H2-M4 VanDerWaalsContact O-N 3.15Å
5E92.5Very high92.5Very high139 Ų13978.9 Ų78.965%0.6537%0.368SS*.G310 helixtrans-93.8-11.4178.8-57.6169.9154.400112M1 H2 W3M1-E5 HydrophobicContact CG-CB 3.87Å; H2-E5 HydrophobicContact CB-CG 4.14Å; H2-E5 PolarHBondContact N-OE2 2.73Å; H2-E5 WeakPolarHBondContact O-CB 3.48Å; H2-E5 PolarHBondContact O-N 2.64Å; W3-E5 PolarHBondContact O-N 3.06Å
6M94.4Very high92.8Very high24 Ų2474.4 Ų74.412%0.11835%0.348CS..SBendtrans-78.2145-179.3-64.8178.9-175.800111.1M1 W3 E10 L11 Q14M1-M6 HydrophobicContact CB-CE 4.17Å; M1-M6 HydrophobicContact CG-CG 4.16Å; M1-M6 HydrophobicContact SD-CG 3.76Å; W3-M6 WeakPolarHBondContact O-CB 3.17Å; W3-M6 PolarHBondContact O-N 3.18Å; W3-M6 VanDerWaalsContact O-N 3.17Å; M6-E10 HydrophobicContact CB-CG 4.45Å; M6-L11 HydrophobicContact CB-CB 4.23Å; M6-L11 HydrophobicContact SD-CD1 4.08Å; M6-Q14 HydrophobicContact CE-CG 4.35Å; M6-Q14 HydrophobicContact SD-CG 3.91Å
7K95.6Very high93.1Very high168 Ų16870.6 Ų70.673%0.7333%0.332SS*.  trans-66.5150.3166.7-67.7-179.8-179.6177.70109.6D9 E10 L11K7-D9 PolarHBondContact O-N 3.33Å; K7-E10 HydrophobicContact CB-CB 4.45Å; K7-E10 WeakPolarHBondContact O-CA 3.15Å; K7-E10 WeakPolarHBondContact O-CB 3.46Å; K7-E10 PolarHBondContact O-N 3.34Å; K7-L11 PolarHBondContact O-N 3.04Å
8K94.3Very high93.3Very high111 Ų11167.7 Ų67.748%0.48332%0.32SS..Hα-helixtrans-49.5-51.4-179.1-174.5178.4172.8-179.80112.7E10 L11 E12 P192K8-E10 VanDerWaalsContact C-N 3.26Å; K8-E10 PolarHBondContact O-N 3.37Å; K8-L11 WeakPolarHBondContact O-CB 3.42Å; K8-L11 PolarHBondContact O-N 3.23Å; K8-L11 VanDerWaalsContact O-N 3.17Å; K8-E12 WeakPolarHBondContact CE-OE1 3.5Å; K8-E12 HydrophobicContact CG-CG 4.38Å; K8-E12 IonicContact NZ-OE1 3.45Å; K8-E12 WeakPolarHBondContact O-CB 3.43Å; K8-E12 WeakPolarHBondContact O-CG 3.47Å; K8-E12 PolarHBondContact O-N 3.35Å; K8-P192 VanDerWaalsContact CE-O 3.32Å; K8-P192 WeakPolarHBondContact CE-O 3.38Å
9D95.9Very high93.5Very high121 Ų12170.9 Ų70.965%0.64733%0.329SS*.Hα-helixtrans-63.6-30.3-179-58.8-7.4000113.6K7 K13K7-D9 PolarHBondContact O-N 3.33Å; D9-K13 WeakPolarHBondContact O-CB 3.36Å; D9-K13 PolarHBondContact O-N 2.91Å
10E96.5Very high93.7Very high77 Ų7771.3 Ų71.336%0.3633%0.328SS..Hα-helixtrans-72-46.9175.1-179.5178.7-175.100110.2M6 K7 K8 E12 K13 Q14M6-E10 HydrophobicContact CB-CG 4.45Å; K7-E10 HydrophobicContact CB-CB 4.45Å; K7-E10 WeakPolarHBondContact O-CA 3.15Å; K7-E10 WeakPolarHBondContact O-CB 3.46Å; K7-E10 PolarHBondContact O-N 3.34Å; K8-E10 VanDerWaalsContact C-N 3.26Å; K8-E10 PolarHBondContact O-N 3.37Å; E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 3.03Å; E10-K13 WeakPolarHBondContact O-CA 3.43Å; E10-K13 VanDerWaalsContact O-CB 3.31Å; E10-K13 WeakPolarHBondContact O-CB 3.19Å; E10-K13 PolarHBondContact O-N 3.45Å; E10-K13 VanDerWaalsContact O-N 3.11Å; E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 2.65Å
11L97.4Very high93.9Very high6 Ų668.7 Ų68.73%0.03132%0.318CS..Hα-helixtrans-59.9-44.1175.8-175.760.9000111.5W3 M6 K7 K8 K13 Q14 Y15 P192 T193W3-L11 HydrophobicContact CB-CD1 3.85Å; W3-L11 HydrophobicContact CE3-CD2 4.34Å; M6-L11 HydrophobicContact CB-CB 4.23Å; M6-L11 HydrophobicContact SD-CD1 4.08Å; K7-L11 PolarHBondContact O-N 3.04Å; K8-L11 WeakPolarHBondContact O-CB 3.42Å; K8-L11 PolarHBondContact O-N 3.23Å; K8-L11 VanDerWaalsContact O-N 3.17Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.41Å; L11-Q14 WeakPolarHBondContact O-CB 3.37Å; L11-Q14 PolarHBondContact O-N 3.36Å; L11-Y15 HydrophobicContact CD1-CD2 3.87Å; L11-Y15 HydrophobicContact CD1-CE2 3.63Å; L11-Y15 HydrophobicContact CG-CD2 4.28Å; L11-Y15 HydrophobicContact CG-CE2 4.45Å; L11-Y15 WeakPolarHBondContact O-CD2 3.28Å; L11-Y15 PolarHBondContact O-N 2.95Å; L11-P192 HydrophobicContact CD2-CG 3.63Å; L11-T193 HydrophobicContact CD2-CG2 4.06Å; L11-T193 HydrophobicContact CG-CG2 3.92Å
12E97.7Very high95.3Very high29 Ų2967.1 Ų67.114%0.13631%0.308CS..Hα-helixtrans-61.6-37.6174.6-73.6-178.3160.500111.9K8 E10 Y15 S16 T193 Y194K8-E12 WeakPolarHBondContact CE-OE1 3.5Å; K8-E12 HydrophobicContact CG-CG 4.38Å; K8-E12 IonicContact NZ-OE1 3.45Å; K8-E12 WeakPolarHBondContact O-CB 3.43Å; K8-E12 WeakPolarHBondContact O-CG 3.47Å; K8-E12 PolarHBondContact O-N 3.35Å; E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 3.03Å; E12-Y15 CarbonylContact O-C 3.54Å; E12-Y15 PolarHBondContact O-N 3.48Å; E12-S16 WeakPolarHBondContact O-CB 3.4Å; E12-S16 PolarHBondContact O-N 3.39Å; E12-S16 VanDerWaalsContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 3.2Å; E12-T193 HydrophobicContact CG-CG2 4.08Å; E12-Y194 HydrophobicContact CB-CD1 4.15Å; E12-Y194 HydrophobicContact CB-CE1 4.17Å; E12-Y194 HydrophobicContact CG-CD1 3.83Å; E12-Y194 HydrophobicContact CG-CE1 4.32Å; E12-Y194 PolarHBondContact OE1-N 2.99Å
13K97.3Very high95.7Very high84 Ų8466.9 Ų66.937%0.36530%0.304SS..Hα-helixtrans-62.2-42.5171.4-174.2-179.6175.3-173.70111.6D9 E10 L11 Y15 S16 R19 W20D9-K13 WeakPolarHBondContact O-CB 3.36Å; D9-K13 PolarHBondContact O-N 2.91Å; E10-K13 WeakPolarHBondContact O-CA 3.43Å; E10-K13 VanDerWaalsContact O-CB 3.31Å; E10-K13 WeakPolarHBondContact O-CB 3.19Å; E10-K13 PolarHBondContact O-N 3.45Å; E10-K13 VanDerWaalsContact O-N 3.11Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.41Å; K13-Y15 VanDerWaalsContact C-N 3.25Å; K13-Y15 PolarHBondContact O-N 2.76Å; K13-S16 PolarHBondContact O-N 3.13Å; K13-S16 VanDerWaalsContact O-N 3.17Å; K13-R19 VanDerWaalsContact CB-NH1 3.33Å; K13-W20 HydrophobicContact CD-CZ2 4.45Å; K13-W20 HydrophobicContact CG-CZ2 4.32Å; K13-W20 PolarHBondContact O-NE1 2.79Å
14Q97.9Very high96.1Very high20 Ų2068 Ų689%0.09331%0.312CS..Hα-helixtrans-60.9-37.1178-63.9-60.7-21.200111.7M6 E10 L11 S16 S236 P237 E238M6-Q14 HydrophobicContact CE-CG 4.35Å; M6-Q14 HydrophobicContact SD-CG 3.91Å; E10-Q14 WeakPolarHBondContact O-CG 3.47Å; E10-Q14 PolarHBondContact O-N 2.65Å; L11-Q14 WeakPolarHBondContact O-CB 3.37Å; L11-Q14 PolarHBondContact O-N 3.36Å; Q14-S16 VanDerWaalsContact C-N 3.33Å; Q14-S16 PolarHBondContact O-N 2.99Å; Q14-S236 WeakPolarHBondContact O-CB 3.14Å; Q14-S236 PolarHBondContact O-OG 2.82Å; Q14-P237 VanDerWaalsContact OE1-CB 3.32Å; Q14-E238 HydrophobicContact CB-CB 3.98Å; Q14-E238 HydrophobicContact CB-CG 3.58Å; Q14-E238 HydrophobicContact CG-CG 3.93Å
15Y97.9Very high96.5Very high1 Ų164.7 Ų64.70%0.00431%0.305CS..THydrogen-bonded Turntrans-93.821.1177-71.5-74.4000114.1L11 E12 K13 P17 Y86 I184 P189 I190 I195 E238 F239 Q242L11-Y15 HydrophobicContact CD1-CD2 3.87Å; L11-Y15 HydrophobicContact CD1-CE2 3.63Å; L11-Y15 HydrophobicContact CG-CD2 4.28Å; L11-Y15 HydrophobicContact CG-CE2 4.45Å; L11-Y15 WeakPolarHBondContact O-CD2 3.28Å; L11-Y15 PolarHBondContact O-N 2.95Å; E12-Y15 CarbonylContact O-C 3.54Å; E12-Y15 PolarHBondContact O-N 3.48Å; K13-Y15 VanDerWaalsContact C-N 3.25Å; K13-Y15 PolarHBondContact O-N 2.76Å; Y15-P17 WeakPolarHBondContact O-CD 3.43Å; Y15-Y86 WeakPolarHBondContact CB-OH 3.09Å; Y15-Y86 WeakPolarHBondContact O-CE2 3.4Å; Y15-Y86 PolarHBondContact O-OH 3.07Å; Y15-I184 HydrophobicContact CD1-CD1 4.32Å; Y15-I184 HydrophobicContact CE1-CD1 3.94Å; Y15-P189 HydrophobicContact CE2-CB 3.64Å; Y15-P189 WeakPolarHBondContact OH-CB 3.43Å; Y15-P189 WeakPolarHBondContact OH-CG 3.23Å; Y15-I190 HydrophobicContact CD1-CG2 3.49Å; Y15-I190 VanDerWaalsContact CD1-CG2 3.49Å; Y15-I190 HydrophobicContact CD2-CG2 4.03Å; Y15-I190 HydrophobicContact CE1-CG2 3.65Å; Y15-I190 HydrophobicContact CE2-CG2 4.19Å; Y15-I190 HydrophobicContact CG-CG2 3.7Å; Y15-I195 HydrophobicContact CG-CD1 4.44Å; Y15-E238 HydrophobicContact CE1-CB 4.25Å; Y15-E238 HydrophobicContact CE2-CB 4.24Å; Y15-E238 HydrophobicContact CE2-CG 4.24Å; Y15-F239 HydrophobicContact CD1-CD2 4.45Å; Y15-F239 HydrophobicContact CD1-CE2 4.01Å; Y15-Q242 PolarHBondContact OH-NE2 2.85Å
16S97.6Very high96.6Very high7 Ų759.4 Ų59.45%0.04929%0.285CS..  trans-116.879.7172.9-64.30000110.3E12 K13 Q14 S18 R19 Y194E12-S16 WeakPolarHBondContact O-CB 3.4Å; E12-S16 PolarHBondContact O-N 3.39Å; E12-S16 VanDerWaalsContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 3.2Å; K13-S16 PolarHBondContact O-N 3.13Å; K13-S16 VanDerWaalsContact O-N 3.17Å; Q14-S16 VanDerWaalsContact C-N 3.33Å; Q14-S16 PolarHBondContact O-N 2.99Å; S16-S18 PolarHBondContact O-N 3.18Å; S16-R19 WeakPolarHBondContact O-CB 3.47Å; S16-R19 PolarHBondContact O-N 3.46Å; S16-Y194 PolarHBondContact OG-OH 2.63Å
17P97.4Very high96.7Very high10 Ų1063.7 Ų63.77%0.06531%0.308CS..G310 helixtrans-55.7-28.9-175.9-25.833.5000114.4Y15 R19 W20 S21 F239 H267 F268Y15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-R19 PolarHBondContact O-N 3.09Å; P17-W20 PolarHBondContact O-N 2.82Å; P17-S21 PolarHBondContact O-N 3.48Å; P17-F239 HydrophobicContact CG-CD2 3.97Å; P17-F239 HydrophobicContact CG-CE2 3.52Å; P17-F239 HydrophobicContact CG-CZ 3.92Å; P17-H267 HydrophobicContact CB-CB 3.45Å; P17-H267 VanDerWaalsContact CB-CB 3.45Å; P17-H267 HydrophobicContact CG-CB 4.44Å; P17-F268 HydrophobicContact CB-CE2 4.4Å
18S97.6Very high96.8Very high18 Ų1859.5 Ų59.513%0.12629%0.294CS..G310 helixtrans-58.7-30.7173570000113.9S16 W20 A26S16-S18 PolarHBondContact O-N 3.18Å; S18-W20 PolarHBondContact O-N 3.16Å; S18-A26 WeakPolarHBondContact CB-O 3.38Å; S18-A26 WeakPolarHBondContact O-CA 3.49Å
19R97.3Very high97Very high130 Ų13054.2 Ų54.249%0.49127%0.271SS..G310 helixtrans-78.2-4.3177.1-63176.566.4-171.20.3113.4K13 S16 P17 A26K13-R19 VanDerWaalsContact CB-NH1 3.33Å; S16-R19 WeakPolarHBondContact O-CB 3.47Å; S16-R19 PolarHBondContact O-N 3.46Å; P17-R19 PolarHBondContact O-N 3.09Å; R19-A26 HydrophobicContact CG-CB 4.26Å
20W97.5Very high97.1Very high78 Ų7852 Ų5230%0.29526%0.258SS..G310 helixtrans-113-6.5177.6-63.688.5000113K13 P17 S18 H22 P237K13-W20 HydrophobicContact CD-CZ2 4.45Å; K13-W20 HydrophobicContact CG-CZ2 4.32Å; K13-W20 PolarHBondContact O-NE1 2.79Å; P17-W20 PolarHBondContact O-N 2.82Å; S18-W20 PolarHBondContact O-N 3.16Å; W20-H22 PolarHBondContact O-N 2.94Å; W20-P237 HydrophobicContact CE3-CG 4.41Å; W20-P237 HydrophobicContact CH2-CG 3.46Å; W20-P237 VanDerWaalsContact CH2-CG 3.46Å; W20-P237 HydrophobicContact CZ2-CG 3.88Å; W20-P237 HydrophobicContact CZ3-CG 3.76Å
21S96.1Very high97.2Very high17 Ų1754.7 Ų54.712%0.11927%0.269CS..  trans-60.7133.5172.51790000110.7P17 R23 D266P17-S21 PolarHBondContact O-N 3.48Å; S21-R23 PolarHBondContact OG-N 3.19Å; S21-D266 WeakPolarHBondContact CB-OD2 3.49Å; S21-D266 PolarHBondContact OG-OD2 3.48Å
22H94.9Very high97.2Very high107 Ų10756 Ų5650%0.49528%0.28SS..SBendtrans-92.9-7.3173.563.2-78.8000112.4W20 N234W20-H22 PolarHBondContact O-N 2.94Å; H22-N234 PolarHBondContact CE1-ND2 3.05Å; H22-N234 WeakPolarHBondContact ND1-CB 3.44Å
23R96Very high97.2Very high83 Ų8355 Ų5531%0.31328%0.276SS..SBendtrans-82.3-37.2-173.4-65.4-170.7-62.9149.6-6.4112.8S21 D266 E272S21-R23 PolarHBondContact OG-N 3.19Å; R23-D266 IonicContact CZ-OD1 3.74Å; R23-D266 IonicContact CZ-OD2 3.69Å; R23-D266 IonicContact NE-OD1 2.84Å; R23-D266 PolarHBondContact NE-OD1 3.37Å; R23-D266 IonicContact NE-OD2 3.92Å; R23-D266 PolarHBondContact NE-OD2 3.23Å; R23-D266 IonicContact NH2-OD1 3.49Å; R23-D266 PolarHBondContact NH2-OD1 2.98Å; R23-D266 VanDerWaalsContact NH2-OD1 3.14Å; R23-D266 IonicContact NH2-OD2 3.34Å; R23-E272 IonicContact CZ-OE1 3.51Å; R23-E272 IonicContact CZ-OE2 3.96Å; R23-E272 IonicContact NH1-OE1 3.74Å; R23-E272 IonicContact NH1-OE2 2.72Å; R23-E272 PolarHBondContact NH1-OE2 3.18Å; R23-E272 IonicContact NH2-OE1 3.4Å; R23-E272 PolarHBondContact NH2-OE1 3.28Å; R23-E272 IonicContact NH2-OE2 3.68Å; R23-E272 PolarHBondContact NH2-OE2 3.18Å
24M96.6Very high97.3Very high69 Ų6953.5 Ų53.534%0.3427%0.273SS..SBendtrans-166.2178.1-176.160.6-16786.200111.4D28 V29 A32M24-D28 HydrophobicContact CB-CB 4.29Å; M24-D28 HydrophobicContact CG-CB 4.08Å; M24-D28 HydrophobicContact SD-CB 4.02Å; M24-D28 VanDerWaalsContact SD-O 3.38Å; M24-V29 VanDerWaalsContact CG-CA 3.46Å; M24-V29 HydrophobicContact CG-CB 3.48Å; M24-V29 VanDerWaalsContact CG-CB 3.48Å; M24-V29 HydrophobicContact CG-CG2 4.14Å; M24-V29 VanDerWaalsContact CG-N 3.34Å; M24-V29 WeakPolarHBondContact SD-CA 2.8Å; M24-V29 HydrophobicContact SD-CB 4.07Å; M24-V29 PolarHBondContact SD-N 3.48Å; M24-V29 VanDerWaalsContact SD-N 3.42Å; M24-A32 HydrophobicContact CE-CB 3.83Å; M24-A32 HydrophobicContact SD-CB 3.59Å; M24-A32 VanDerWaalsContact SD-CB 3.59Å
25A97.3Very high97.3Very high60 Ų6058.7 Ų58.750%0.49630%0.296SS..  trans-64.1156.9176.800000112.1D27 D28 V29A25-D27 PolarHBondContact O-N 2.92Å; A25-D28 HydrophobicContact CB-CB 4.49Å; A25-D28 PolarHBondContact O-N 3.27Å; A25-V29 PolarHBondContact O-N 3.28Å
26A95.7Very high97.3Very high28 Ų2860.3 Ų60.323%0.23131%0.31CS..Hα-helixtrans-55.7-43.8-171.500000114.1S18 R19 V29 I30S18-A26 WeakPolarHBondContact CB-O 3.38Å; S18-A26 WeakPolarHBondContact O-CA 3.49Å; R19-A26 HydrophobicContact CG-CB 4.26Å; A26-V29 VanDerWaalsContact O-CG1 3.23Å; A26-V29 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 WeakPolarHBondContact O-CD1 3.42Å; A26-I30 WeakPolarHBondContact O-CG1 3.14Å; A26-I30 PolarHBondContact O-N 2.95Å
27D96.4Very high97.4Very high113 Ų11360.1 Ų60.160%0.60431%0.308SS*.Hα-helixtrans-74.1-32.8178.7-68.6-12.3000112.1A25 K31A25-D27 PolarHBondContact O-N 2.92Å; D27-K31 WeakPolarHBondContact O-CG 3.31Å; D27-K31 PolarHBondContact O-N 3.45Å; D27-K31 VanDerWaalsContact O-N 3.16Å
28D98.1Very high97.4Very high80 Ų8064.7 Ų64.743%0.42833%0.327SS..Hα-helixtrans-72.5-37.3-179.1-64.4-31.2000110.8M24 A25 I30 K31 A32M24-D28 HydrophobicContact CB-CB 4.29Å; M24-D28 HydrophobicContact CG-CB 4.08Å; M24-D28 HydrophobicContact SD-CB 4.02Å; M24-D28 VanDerWaalsContact SD-O 3.38Å; A25-D28 HydrophobicContact CB-CB 4.49Å; A25-D28 PolarHBondContact O-N 3.27Å; D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 PolarHBondContact O-N 3.49Å; D28-K31 PolarHBondContact O-N 3.38Å; D28-K31 IonicContact OD1-NZ 3.54Å; D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.45Å; D28-A32 PolarHBondContact O-N 2.85Å
29V97.9Very high97.5Very high0 Ų068.7 Ų68.70%034%0.343CS..Hα-helixtrans-66-37.3177.570.60000111.1M24 A25 A26 A32 H33 F268M24-V29 VanDerWaalsContact CG-CA 3.46Å; M24-V29 HydrophobicContact CG-CB 3.48Å; M24-V29 VanDerWaalsContact CG-CB 3.48Å; M24-V29 HydrophobicContact CG-CG2 4.14Å; M24-V29 VanDerWaalsContact CG-N 3.34Å; M24-V29 WeakPolarHBondContact SD-CA 2.8Å; M24-V29 HydrophobicContact SD-CB 4.07Å; M24-V29 PolarHBondContact SD-N 3.48Å; M24-V29 VanDerWaalsContact SD-N 3.42Å; A25-V29 PolarHBondContact O-N 3.28Å; A26-V29 VanDerWaalsContact O-CG1 3.23Å; A26-V29 WeakPolarHBondContact O-CG1 3.4Å; V29-A32 PolarHBondContact O-N 3.09Å; V29-H33 WeakPolarHBondContact O-CB 3.43Å; V29-H33 PolarHBondContact O-N 3.13Å; V29-F268 HydrophobicContact CG1-CD2 4.13Å; V29-F268 HydrophobicContact CG1-CE2 3.77Å; V29-F268 HydrophobicContact CG1-CZ 4.17Å; V29-F268 HydrophobicContact CG2-CB 4.24Å; V29-F268 HydrophobicContact CG2-CD2 3.56Å; V29-F268 HydrophobicContact CG2-CE2 4.09Å; V29-F268 HydrophobicContact CG2-CG 3.94Å
30I97.8Very high97.5Very high74 Ų7462.8 Ų62.838%0.37932%0.323SS..Hα-helixtrans-63.9-48.1175-65.2166.4000110.1A26 D28 A32 H33 V34 F268A26-I30 WeakPolarHBondContact O-CD1 3.42Å; A26-I30 WeakPolarHBondContact O-CG1 3.14Å; A26-I30 PolarHBondContact O-N 2.95Å; D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 PolarHBondContact O-N 3.49Å; I30-A32 PolarHBondContact O-N 3.26Å; I30-H33 WeakPolarHBondContact O-CB 3.44Å; I30-H33 PolarHBondContact O-N 2.94Å; I30-V34 WeakPolarHBondContact O-CG2 3.38Å; I30-V34 PolarHBondContact O-N 2.77Å; I30-F268 HydrophobicContact CG1-CE1 4.2Å; I30-F268 HydrophobicContact CG1-CZ 4.19Å
31K98.1Very high97.6Very high135 Ų13559 Ų5959%0.58731%0.309SS*.Hα-helixtrans-62.2-43.8178.4-69.4168.4-168.6162.50112.1D27 D28 H33 V34 K35D27-K31 WeakPolarHBondContact O-CG 3.31Å; D27-K31 PolarHBondContact O-N 3.45Å; D27-K31 VanDerWaalsContact O-N 3.16Å; D28-K31 PolarHBondContact O-N 3.38Å; D28-K31 IonicContact OD1-NZ 3.54Å; K31-H33 VanDerWaalsContact C-N 3.32Å; K31-V34 PolarHBondContact O-N 3.15Å; K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 3.32Å
32A98.3Very high97.7Very high33 Ų3363.1 Ų63.127%0.27333%0.326SS..Hα-helixtrans-62.7-41.1177.600000111.4M24 D28 V29 I30 K35 A36M24-A32 HydrophobicContact CE-CB 3.83Å; M24-A32 HydrophobicContact SD-CB 3.59Å; M24-A32 VanDerWaalsContact SD-CB 3.59Å; D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.45Å; D28-A32 PolarHBondContact O-N 2.85Å; V29-A32 PolarHBondContact O-N 3.09Å; I30-A32 PolarHBondContact O-N 3.26Å; A32-K35 PolarHBondContact O-N 3.49Å; A32-A36 WeakPolarHBondContact O-CB 3.2Å; A32-A36 PolarHBondContact O-N 3.1Å
33H98.4Very high97.8Very high7 Ų764.4 Ų64.43%0.03233%0.326CS..Hα-helixtrans-60.4-53.8176.3-178.966.6000112V29 I30 K31 K35 A36 L37 F268 E272V29-H33 WeakPolarHBondContact O-CB 3.43Å; V29-H33 PolarHBondContact O-N 3.13Å; I30-H33 WeakPolarHBondContact O-CB 3.44Å; I30-H33 PolarHBondContact O-N 2.94Å; K31-H33 VanDerWaalsContact C-N 3.32Å; H33-K35 VanDerWaalsContact C-N 3.25Å; H33-K35 PolarHBondContact O-N 2.92Å; H33-A36 PolarHBondContact O-N 3.37Å; H33-L37 VanDerWaalsContact NE2-CD1 3.34Å; H33-L37 WeakPolarHBondContact NE2-CD1 3.39Å; H33-L37 WeakPolarHBondContact O-CG 3.45Å; H33-L37 PolarHBondContact O-N 3.42Å; H33-F268 HydrophobicContact CB-CB 4.14Å; H33-F268 HydrophobicContact CB-CD1 3.76Å; H33-F268 HydrophobicContact CB-CG 4.28Å; H33-F268 AromaticContact CD2-CD1 3.78Å; H33-F268 AromaticContact CG-CD1 3.58Å; H33-F268 AromaticContact ND1-CD1 3.96Å; H33-E272 IonicContact CG-OE1 2.86Å; H33-E272 IonicContact ND1-OE1 2.76Å; H33-E272 PolarHBondContact ND1-OE1 3.35Å
34V98.4Very high97.9Very high53 Ų5360.4 Ų60.432%0.32131%0.311SS..Hα-helixtrans-56.5-43.4177.81780000110.9I30 K31 K38 L90 E94I30-V34 WeakPolarHBondContact O-CG2 3.38Å; I30-V34 PolarHBondContact O-N 2.77Å; K31-V34 PolarHBondContact O-N 3.15Å; V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 3.32Å; V34-L90 HydrophobicContact CG2-CD2 3.88Å; V34-E94 HydrophobicContact CG1-CG 4.43Å
35K98.5Very high97.8Very high130 Ų13061.6 Ų61.657%0.56531%0.312SS*.Hα-helixtrans-60.9-50.3177.8-178.3179.5171.2-175.40111.7K31 A32 H33 L37 K38 E39K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 3.32Å; A32-K35 PolarHBondContact O-N 3.49Å; H33-K35 VanDerWaalsContact C-N 3.25Å; H33-K35 PolarHBondContact O-N 2.92Å; K35-L37 PolarHBondContact O-N 3.38Å; K35-K38 PolarHBondContact O-N 3.45Å; K35-E39 WeakPolarHBondContact CE-OE1 3.48Å; K35-E39 HydrophobicContact CG-CG 4.4Å; K35-E39 IonicContact NZ-OE1 2.78Å; K35-E39 WeakPolarHBondContact O-CG 3.44Å; K35-E39 PolarHBondContact O-N 3.43Å
36A98.4Very high97.7Very high35 Ų3562.7 Ų62.729%0.28932%0.316SS..Hα-helixtrans-61.1-43.6-178.900000112.1A32 H33 E39 G40 E272A32-A36 WeakPolarHBondContact O-CB 3.2Å; A32-A36 PolarHBondContact O-N 3.1Å; H33-A36 PolarHBondContact O-N 3.37Å; A36-E39 PolarHBondContact O-N 2.91Å; A36-G40 PolarHBondContact O-N 3.46Å; A36-E272 HydrophobicContact CB-CG 4.11Å
37L98.6Very high97.4Very high2 Ų264 Ų641%0.0132%0.319CS..Hα-helixtrans-62.8-42177-69.7-166.1000112.5H33 K35 T41 L90 E94 F97 I271H33-L37 VanDerWaalsContact NE2-CD1 3.34Å; H33-L37 WeakPolarHBondContact NE2-CD1 3.39Å; H33-L37 WeakPolarHBondContact O-CG 3.45Å; H33-L37 PolarHBondContact O-N 3.42Å; K35-L37 PolarHBondContact O-N 3.38Å; L37-T41 WeakPolarHBondContact O-CB 3.46Å; L37-T41 PolarHBondContact O-N 3.47Å; L37-T41 PolarHBondContact O-OG1 2.9Å; L37-L90 HydrophobicContact CD1-CD1 4.33Å; L37-E94 HydrophobicContact CB-CB 3.93Å; L37-E94 WeakPolarHBondContact CB-O 3.43Å; L37-E94 HydrophobicContact CD1-CB 4.37Å; L37-F97 HydrophobicContact CD2-CD1 3.72Å; L37-F97 HydrophobicContact CD2-CD2 4.39Å; L37-F97 HydrophobicContact CD2-CE1 3.63Å; L37-F97 HydrophobicContact CD2-CE2 4.29Å; L37-F97 HydrophobicContact CD2-CG 4.12Å; L37-F97 HydrophobicContact CD2-CZ 3.93Å; L37-I271 HydrophobicContact CD2-CG2 4.42Å
38K98.3Very high97.3Very high106 Ų10659 Ų5946%0.46129%0.294SS..Hα-helixtrans-66-47.7177.2-174.8173.6178.5176.70111.9V34 K35 G40 T41 E42 E94V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 3.32Å; K35-K38 PolarHBondContact O-N 3.45Å; K38-G40 VanDerWaalsContact C-N 3.31Å; K38-G40 PolarHBondContact O-N 2.87Å; K38-T41 PolarHBondContact O-N 3.49Å; K38-T41 VanDerWaalsContact O-N 3.13Å; K38-E42 WeakPolarHBondContact CE-OE1 3.31Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.01Å; K38-E94 HydrophobicContact CB-CG 4.5Å
39E98.4Very high97.1Very high102 Ų10260.7 Ų60.748%0.47730%0.299SS..Hα-helixtrans-59.9-42.4176.9-73.4175.9166.800111.4K35 A36 T41 E42 R43K35-E39 WeakPolarHBondContact CE-OE1 3.48Å; K35-E39 HydrophobicContact CG-CG 4.4Å; K35-E39 IonicContact NZ-OE1 2.78Å; K35-E39 WeakPolarHBondContact O-CG 3.44Å; K35-E39 PolarHBondContact O-N 3.43Å; A36-E39 PolarHBondContact O-N 2.91Å; E39-T41 PolarHBondContact O-N 3.33Å; E39-E42 PolarHBondContact O-N 3.37Å; E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 PolarHBondContact O-N 2.92Å
40G98.4Very high97Very high6 Ų662.3 Ų62.36%0.06231%0.309CS..Hα-helixtrans-62.2-40.9173.900000112.7A36 K38 R43 A44A36-G40 PolarHBondContact O-N 3.46Å; K38-G40 VanDerWaalsContact C-N 3.31Å; K38-G40 PolarHBondContact O-N 2.87Å; G40-R43 PolarHBondContact O-N 3.27Å; G40-A44 PolarHBondContact O-N 3.42Å
41T98.4Very high97Very high0 Ų062.1 Ų62.10%031%0.308CS..Hα-helixtrans-68.4-41178.1-60.20000112.2L37 K38 E39 R43 A44 R45 Y67 E93 E94 S95 G96 F97L37-T41 WeakPolarHBondContact O-CB 3.46Å; L37-T41 PolarHBondContact O-N 3.47Å; L37-T41 PolarHBondContact O-OG1 2.9Å; K38-T41 PolarHBondContact O-N 3.49Å; K38-T41 VanDerWaalsContact O-N 3.13Å; E39-T41 PolarHBondContact O-N 3.33Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 3.12Å; T41-A44 WeakPolarHBondContact O-CB 3.43Å; T41-A44 PolarHBondContact O-N 3.01Å; T41-R45 WeakPolarHBondContact O-CG 3.23Å; T41-R45 PolarHBondContact O-N 3.2Å; T41-R45 VanDerWaalsContact O-N 3.09Å; T41-Y67 WeakPolarHBondContact CG2-OH 3.34Å; T41-E93 VanDerWaalsContact CG2-O 3.24Å; T41-E93 WeakPolarHBondContact CG2-O 3.46Å; T41-E94 PolarHBondContact OG1-O 3.09Å; T41-S95 PolarHBondContact OG1-N 2.68Å; T41-G96 PolarHBondContact OG1-N 2.84Å; T41-F97 PolarHBondContact OG1-N 3.36Å
42E98Very high97Very high102 Ų10259.1 Ų59.148%0.47730%0.298SS..Hα-helixtrans-62.5-41.3173.4-72.4173-179.900111.2K38 E39 R45 S46K38-E42 WeakPolarHBondContact CE-OE1 3.31Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.01Å; E39-E42 PolarHBondContact O-N 3.37Å; E42-R45 PolarHBondContact O-N 3.5Å; E42-S46 PolarHBondContact O-N 2.94Å
43R97.8Very high96.9Very high134 Ų13461.2 Ų61.251%0.50630%0.304SS..Hα-helixtrans-60.6-46.1173-175.8179.6174.9-157.5-4.5111.5E39 G40 T41 R45 S46 L47 V100E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 PolarHBondContact O-N 2.92Å; G40-R43 PolarHBondContact O-N 3.27Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 3.12Å; R43-R45 VanDerWaalsContact C-N 3.3Å; R43-R45 PolarHBondContact O-N 2.88Å; R43-S46 WeakPolarHBondContact O-CB 3.38Å; R43-S46 PolarHBondContact O-N 3.23Å; R43-S46 PolarHBondContact O-OG 3.19Å; R43-L47 HydrophobicContact CG-CD1 4.19Å; R43-L47 PolarHBondContact O-N 3.13Å; R43-V100 HydrophobicContact CB-CG2 4.1Å; R43-V100 HydrophobicContact CG-CG2 3.93Å
44A97.3Very high96.9Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-55.5-43.917700000112.7G40 T41 S46 L47 A48 Y67 G96 A99 V100G40-A44 PolarHBondContact O-N 3.42Å; T41-A44 WeakPolarHBondContact O-CB 3.43Å; T41-A44 PolarHBondContact O-N 3.01Å; A44-S46 PolarHBondContact O-N 2.88Å; A44-L47 PolarHBondContact O-N 3.02Å; A44-A48 PolarHBondContact O-N 3.34Å; A44-Y67 HydrophobicContact CB-CD1 3.98Å; A44-Y67 HydrophobicContact CB-CE1 3.9Å; A44-G96 WeakPolarHBondContact CB-O 3.48Å; A44-A99 HydrophobicContact CB-CB 3.88Å; A44-V100 HydrophobicContact CB-CG2 3.93Å
45R95.7Very high96.9Very high93 Ų9363.5 Ų63.535%0.35132%0.32SS..Hα-helixtrans-61.8-26.4177.5-68.6175.5178.7166.5-3.7113.4T41 E42 R43 T50 D65 Y67T41-R45 WeakPolarHBondContact O-CG 3.23Å; T41-R45 PolarHBondContact O-N 3.2Å; T41-R45 VanDerWaalsContact O-N 3.09Å; E42-R45 PolarHBondContact O-N 3.5Å; R43-R45 VanDerWaalsContact C-N 3.3Å; R43-R45 PolarHBondContact O-N 2.88Å; R45-T50 HydrophobicContact CG-CG2 4.43Å; R45-D65 IonicContact NH2-OD2 3.78Å; R45-D65 PolarHBondContact NH2-OD2 2.88Å; R45-D65 VanDerWaalsContact NH2-OD2 3.09Å; R45-Y67 HydrophobicContact CG-CE1 3.8Å
46S93.7Very high96.9Very high84 Ų8458.3 Ų58.359%0.58730%0.297SS*.Hα-helixtrans-78.9-22.4175.5760000113.6E42 R43 A44E42-S46 PolarHBondContact O-N 2.94Å; R43-S46 WeakPolarHBondContact O-CB 3.38Å; R43-S46 PolarHBondContact O-N 3.23Å; R43-S46 PolarHBondContact O-OG 3.19Å; A44-S46 PolarHBondContact O-N 2.88Å
47L91.3Very high96.8Very high55 Ų5558 Ų5829%0.28830%0.297SS..Hα-helixtrans-96.8-36.4-174.9-63.7174.1000112.5R43 A44 K70 V100R43-L47 HydrophobicContact CG-CD1 4.19Å; R43-L47 PolarHBondContact O-N 3.13Å; A44-L47 PolarHBondContact O-N 3.02Å; L47-K70 WeakPolarHBondContact O-CE 3.34Å; L47-K70 PolarHBondContact O-NZ 3.3Å; L47-V100 HydrophobicContact CD1-CB 4.37Å; L47-V100 HydrophobicContact CD1-CG1 3.91Å; L47-V100 HydrophobicContact CD1-CG2 4.28Å
48A92.6Very high96.5Very high9 Ų967.5 Ų67.57%0.07434%0.342CS..SBendtrans-106.1152.5-174.700000112.9A44 T50 V103A44-A48 PolarHBondContact O-N 3.34Å; A48-T50 PolarHBondContact O-N 2.84Å; A48-T50 PolarHBondContact O-OG1 3.04Å; A48-V103 HydrophobicContact CB-CB 4.35Å; A48-V103 HydrophobicContact CB-CG1 3.91Å; A48-V103 HydrophobicContact CB-CG2 4.22Å
49E94.3Very high96.1Very high115 Ų11563.6 Ų63.654%0.53733%0.332SS..EExtended strand (participates in β ladder)trans-67.1129.7157.8-178.5175.4167.300107.8I68E49-I68 HydrophobicContact CB-CB 4.42Å; E49-I68 PolarHBondContact N-O 2.95Å; E49-I68 VanDerWaalsContact N-O 3.15Å; E49-I68 PolarHBondContact O-N 3.14Å
50T96.6Very high95.8Very high33 Ų3364 Ų6420%0.20234%0.337CS..EExtended strand (participates in β ladder)trans-127.4121.3-173-47.40000111.3R45 A48 I52 V66 Y67R45-T50 HydrophobicContact CG-CG2 4.43Å; A48-T50 PolarHBondContact O-N 2.84Å; A48-T50 PolarHBondContact O-OG1 3.04Å; T50-I52 HydrophobicContact CG2-CD1 3.44Å; T50-I52 VanDerWaalsContact CG2-CD1 3.44Å; T50-I52 HydrophobicContact CG2-CG1 4.07Å; T50-V66 CarbonylContact C-O 3.59Å; T50-V66 VanDerWaalsContact CA-O 3.31Å; T50-V66 WeakPolarHBondContact CA-O 3.47Å; T50-Y67 HydrophobicContact CG2-CD1 3.72Å; T50-Y67 HydrophobicContact CG2-CE1 3.66Å; T50-Y67 HydrophobicContact CG2-CE2 4.48Å; T50-Y67 HydrophobicContact CG2-CG 4.18Å
51L96.9Very high95.6Very high70 Ų7064.4 Ų64.437%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-90.6115.5168.1-53.6179.1000108.3V54 D65 V66 I68L51-V54 HydrophobicContact CB-CG2 3.6Å; L51-D65 CarbonylContact O-C 3.47Å; L51-D65 WeakPolarHBondContact O-CA 3.29Å; L51-V66 HydrophobicContact CB-CB 4.29Å; L51-V66 PolarHBondContact N-O 2.97Å; L51-V66 PolarHBondContact O-N 3.28Å; L51-I68 HydrophobicContact CD1-CD1 3.84Å; L51-I68 HydrophobicContact CG-CD1 3.97Å
52I97.6Very high95.6Very high73 Ų7365 Ų6537%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-100.6143.3-176.5-59.6-69.5000109.6T50 V54 D65T50-I52 HydrophobicContact CG2-CD1 3.44Å; T50-I52 VanDerWaalsContact CG2-CD1 3.44Å; T50-I52 HydrophobicContact CG2-CG1 4.07Å; I52-V54 VanDerWaalsContact C-N 3.32Å; I52-V54 PolarHBondContact O-N 3.35Å; I52-D65 HydrophobicContact CD1-CB 4.14Å; I52-D65 WeakPolarHBondContact CD1-OD2 2.97Å
53N97.8Very high95.6Very high77 Ų7763.1 Ų63.141%0.41233%0.334SS..EExtended strand (participates in β ladder)trans59.335.9175.1-65.4-41.8000114.5P55 K63 L64 D65 K92N53-P55 WeakPolarHBondContact O-CD 3.43Å; N53-K63 HydrophobicContact CB-CD 4.1Å; N53-L64 CarbonylContact C-O 3.59Å; N53-L64 WeakPolarHBondContact CA-O 3.46Å; N53-L64 PolarHBondContact N-O 3.45Å; N53-L64 VanDerWaalsContact N-O 3.12Å; N53-D65 PolarHBondContact N-OD1 3.42Å; N53-K92 WeakPolarHBondContact OD1-CE 3.46Å; N53-K92 PolarHBondContact OD1-NZ 3.38Å
54V98.3Very high95.6Very high25 Ų2556.8 Ų56.815%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-68116.7175-178.80000108.7L51 I52 K63 L64 V66L51-V54 HydrophobicContact CB-CG2 3.6Å; I52-V54 VanDerWaalsContact C-N 3.32Å; I52-V54 PolarHBondContact O-N 3.35Å; V54-K63 CarbonylContact O-C 3.44Å; V54-K63 WeakPolarHBondContact O-CA 3.35Å; V54-L64 HydrophobicContact CB-CB 4.27Å; V54-L64 PolarHBondContact N-O 3.27Å; V54-L64 PolarHBondContact O-N 3.48Å; V54-V66 HydrophobicContact CG2-CG2 4.31Å
55P98Very high95.7Very high82 Ų8256.8 Ų56.853%0.53231%0.31SS..EExtended strand (participates in β ladder)trans-72.9138.6-176.429.7-34.1000111.2N53N53-P55 WeakPolarHBondContact O-CD 3.43Å
56Y98.1Very high95.8Very high22 Ų2252.3 Ų52.39%0.08629%0.294CS..SBendtrans-116.2-6.616771.6-102.9000113E62 K63 L64 V112 G113 Q128 R131 S135Y56-E62 HydrophobicContact CD1-CB 4.36Å; Y56-E62 WeakPolarHBondContact CD1-O 3.33Å; Y56-E62 HydrophobicContact CD2-CB 4Å; Y56-E62 HydrophobicContact CD2-CG 4.49Å; Y56-E62 HydrophobicContact CE1-CB 4.06Å; Y56-E62 HydrophobicContact CE2-CB 3.6Å; Y56-E62 HydrophobicContact CE2-CG 3.74Å; Y56-E62 HydrophobicContact CG-CB 4.35Å; Y56-E62 PolarHBondContact N-O 3.02Å; Y56-K63 VanDerWaalsContact CE1-N 3.27Å; Y56-L64 HydrophobicContact CD1-CD2 3.45Å; Y56-L64 VanDerWaalsContact CD1-CD2 3.45Å; Y56-L64 HydrophobicContact CD1-CG 3.77Å; Y56-L64 HydrophobicContact CE1-CD2 3.87Å; Y56-L64 HydrophobicContact CG-CD2 4.39Å; Y56-V112 HydrophobicContact CE1-CG1 4.27Å; Y56-G113 VanDerWaalsContact CE1-O 3.3Å; Y56-G113 WeakPolarHBondContact CE1-O 3.43Å; Y56-G113 PolarHBondContact OH-O 2.88Å; Y56-Q128 HydrophobicContact CE2-CB 4.38Å; Y56-Q128 WeakPolarHBondContact CE2-O 3.45Å; Y56-R131 HydrophobicContact CD2-CB 4.04Å; Y56-R131 HydrophobicContact CE2-CB 4.21Å; Y56-S135 VanDerWaalsContact CB-CB 3.42Å; Y56-S135 VanDerWaalsContact CB-OG 3.32Å; Y56-S135 WeakPolarHBondContact CB-OG 3.39Å
57G96Very high96Very high28 Ų2848.3 Ų48.329%0.28927%0.266SS..SBendtrans-156.6-170.4176.200000110.5E62G57-E62 PolarHBondContact N-O 3.43Å
58E92.7Very high96.1Very high202 Ų20247.3 Ų47.394%0.94426%0.26SS*.SBendtrans-92.5-19.9-175-62.3-173.4162.300112.8E62E58-E62 PolarHBondContact N-OE2 2.83Å; E58-E62 VanDerWaalsContact N-OE2 3.12Å
59G91.1Very high96Very high24 Ų2447 Ų4725%0.24726%0.257CS..SBendtrans-73.7154-17900000113.9G61 E62G59-G61 PolarHBondContact O-N 3.1Å; G59-E62 PolarHBondContact N-OE2 3.49Å; G59-E62 WeakPolarHBondContact O-CB 3.15Å; G59-E62 PolarHBondContact O-N 3.2Å
60D91.5Very high95.4Very high110 Ų11049.2 Ų49.259%0.58827%0.265SS*.THydrogen-bonded Turntrans-59-36.6178.8-62.2-48.9000113.3E62 K63 K119D60-E62 VanDerWaalsContact C-N 3.29Å; D60-K63 WeakPolarHBondContact O-CD 3.43Å; D60-K63 WeakPolarHBondContact O-CE 3.32Å; D60-K63 PolarHBondContact O-NZ 2.77Å; D60-K119 IonicContact OD2-NZ 3.59Å; D60-K119 PolarHBondContact OD2-NZ 3.16Å
61G93.8Very high94.2Very high15 Ų1552.6 Ų52.616%0.15529%0.286CS..THydrogen-bonded Turntrans-76.3-12.7176.300000113.4G59 K63 G113 Y114G59-G61 PolarHBondContact O-N 3.1Å; G61-K63 PolarHBondContact O-N 3.36Å; G61-G113 CarbonylContact O-C 3.49Å; G61-Y114 WeakPolarHBondContact O-CA 3.19Å; G61-Y114 PolarHBondContact O-N 3.47Å
62E97.9Very high92.6Very high13 Ų1352 Ų526%0.06129%0.291CS..  trans-86.157.3-174.5-61.7-170.9103.900113.2Y56 G57 E58 G59 D60 Q128 R131Y56-E62 HydrophobicContact CD1-CB 4.36Å; Y56-E62 WeakPolarHBondContact CD1-O 3.33Å; Y56-E62 HydrophobicContact CD2-CB 4Å; Y56-E62 HydrophobicContact CD2-CG 4.49Å; Y56-E62 HydrophobicContact CE1-CB 4.06Å; Y56-E62 HydrophobicContact CE2-CB 3.6Å; Y56-E62 HydrophobicContact CE2-CG 3.74Å; Y56-E62 HydrophobicContact CG-CB 4.35Å; Y56-E62 PolarHBondContact N-O 3.02Å; G57-E62 PolarHBondContact N-O 3.43Å; E58-E62 PolarHBondContact N-OE2 2.83Å; E58-E62 VanDerWaalsContact N-OE2 3.12Å; G59-E62 PolarHBondContact N-OE2 3.49Å; G59-E62 WeakPolarHBondContact O-CB 3.15Å; G59-E62 PolarHBondContact O-N 3.2Å; D60-E62 VanDerWaalsContact C-N 3.29Å; E62-Q128 HydrophobicContact CG-CG 3.89Å; E62-R131 IonicContact OE1-CZ 3.14Å; E62-R131 IonicContact OE1-NE 2.77Å; E62-R131 PolarHBondContact OE1-NE 3.25Å; E62-R131 IonicContact OE1-NH2 3.35Å; E62-R131 PolarHBondContact OE1-NH2 3.16Å; E62-R131 IonicContact OE2-NH2 3.53Å
63K98.6Very high91.2Very high62 Ų6251.3 Ų51.327%0.2729%0.293SS..EExtended strand (participates in β ladder)trans-130.5151.8-176.5-65.9170.3-172153.50111.7N53 V54 Y56 D60 G61 K92 G113N53-K63 HydrophobicContact CB-CD 4.1Å; V54-K63 CarbonylContact O-C 3.44Å; V54-K63 WeakPolarHBondContact O-CA 3.35Å; Y56-K63 VanDerWaalsContact CE1-N 3.27Å; D60-K63 WeakPolarHBondContact O-CD 3.43Å; D60-K63 WeakPolarHBondContact O-CE 3.32Å; D60-K63 PolarHBondContact O-NZ 2.77Å; G61-K63 PolarHBondContact O-N 3.36Å; K63-K92 HydrophobicContact CB-CD 4.26Å; K63-K92 WeakPolarHBondContact O-CD 3.31Å; K63-G113 WeakPolarHBondContact O-CA 3.27Å; K63-G113 PolarHBondContact O-N 3.27Å
64L98.6Very high89.7Confident0 Ų054.8 Ų54.80%031%0.311CS..EExtended strand (participates in β ladder)trans-114147175.2-47.7176.3000109.8N53 V54 Y56 V66 V110 A111 V112 V136N53-L64 CarbonylContact C-O 3.59Å; N53-L64 WeakPolarHBondContact CA-O 3.46Å; N53-L64 PolarHBondContact N-O 3.45Å; N53-L64 VanDerWaalsContact N-O 3.12Å; V54-L64 HydrophobicContact CB-CB 4.27Å; V54-L64 PolarHBondContact N-O 3.27Å; V54-L64 PolarHBondContact O-N 3.48Å; Y56-L64 HydrophobicContact CD1-CD2 3.45Å; Y56-L64 VanDerWaalsContact CD1-CD2 3.45Å; Y56-L64 HydrophobicContact CD1-CG 3.77Å; Y56-L64 HydrophobicContact CE1-CD2 3.87Å; Y56-L64 HydrophobicContact CG-CD2 4.39Å; L64-V66 HydrophobicContact CB-CG2 4.06Å; L64-V110 HydrophobicContact CB-CG1 4.08Å; L64-V110 HydrophobicContact CD1-CG1 3.98Å; L64-V110 HydrophobicContact CD2-CG1 3.95Å; L64-V110 HydrophobicContact CG-CG1 4.22Å; L64-A111 WeakPolarHBondContact CA-O 3.37Å; L64-V112 HydrophobicContact CD2-CB 4.26Å; L64-V112 HydrophobicContact CD2-CG1 4.34Å; L64-V112 HydrophobicContact CD2-CG2 3.78Å; L64-V136 HydrophobicContact CD1-CG2 3.77Å
65D98.6Very high88.9Confident0 Ų058.7 Ų58.70%033%0.331CS..EExtended strand (participates in β ladder)trans-107.5125155.9-73.12.5000107.6R45 L51 I52 N53 Y67 K92 A111R45-D65 IonicContact NH2-OD2 3.78Å; R45-D65 PolarHBondContact NH2-OD2 2.88Å; R45-D65 VanDerWaalsContact NH2-OD2 3.09Å; L51-D65 CarbonylContact O-C 3.47Å; L51-D65 WeakPolarHBondContact O-CA 3.29Å; I52-D65 HydrophobicContact CD1-CB 4.14Å; I52-D65 WeakPolarHBondContact CD1-OD2 2.97Å; N53-D65 PolarHBondContact N-OD1 3.42Å; D65-Y67 HydrophobicContact CB-CE2 3.86Å; D65-K92 WeakPolarHBondContact OD1-CE 3.36Å; D65-K92 IonicContact OD1-NZ 2.92Å; D65-K92 PolarHBondContact OD1-NZ 3.18Å; D65-K92 IonicContact OD2-NZ 3.05Å; D65-A111 HydrophobicContact CB-CB 4.3Å; D65-A111 PolarHBondContact N-O 3.17Å; D65-A111 PolarHBondContact O-N 2.83Å
66V97.9Very high88.4Confident0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-116117.9-173.8-173.70000109.8T50 L51 V54 L64 I68 V108 V110T50-V66 CarbonylContact C-O 3.59Å; T50-V66 VanDerWaalsContact CA-O 3.31Å; T50-V66 WeakPolarHBondContact CA-O 3.47Å; L51-V66 HydrophobicContact CB-CB 4.29Å; L51-V66 PolarHBondContact N-O 2.97Å; L51-V66 PolarHBondContact O-N 3.28Å; V54-V66 HydrophobicContact CG2-CG2 4.31Å; L64-V66 HydrophobicContact CB-CG2 4.06Å; V66-I68 HydrophobicContact CG1-CD1 4.37Å; V66-I68 HydrophobicContact CG1-CG1 3.93Å; V66-V108 HydrophobicContact CG1-CG1 3.8Å; V66-V110 HydrophobicContact CG1-CG2 4.08Å; V66-V110 HydrophobicContact CG2-CG1 4.46Å; V66-V110 HydrophobicContact CG2-CG2 4.19Å
67Y97.1Very high88.2Confident0 Ų055.5 Ų55.50%031%0.311CS..EExtended strand (participates in β ladder)trans-102.4113.6-178-57.3-99000109T41 A44 R45 T50 D65 G96 A99 V108 V109 A111T41-Y67 WeakPolarHBondContact CG2-OH 3.34Å; A44-Y67 HydrophobicContact CB-CD1 3.98Å; A44-Y67 HydrophobicContact CB-CE1 3.9Å; R45-Y67 HydrophobicContact CG-CE1 3.8Å; T50-Y67 HydrophobicContact CG2-CD1 3.72Å; T50-Y67 HydrophobicContact CG2-CE1 3.66Å; T50-Y67 HydrophobicContact CG2-CE2 4.48Å; T50-Y67 HydrophobicContact CG2-CG 4.18Å; D65-Y67 HydrophobicContact CB-CE2 3.86Å; Y67-G96 VanDerWaalsContact CZ-CA 3.47Å; Y67-A99 HydrophobicContact CD1-CB 3.99Å; Y67-A99 HydrophobicContact CD2-CB 4.34Å; Y67-A99 HydrophobicContact CG-CB 3.73Å; Y67-V108 WeakPolarHBondContact O-CA 3.41Å; Y67-V109 HydrophobicContact CD2-CB 4.47Å; Y67-V109 HydrophobicContact CD2-CG1 4.47Å; Y67-V109 PolarHBondContact N-O 3.37Å; Y67-V109 PolarHBondContact O-N 2.83Å; Y67-A111 HydrophobicContact CE2-CB 4.15Å
68I94.3Very high88.2Confident33 Ų3354.2 Ų54.217%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-110.4129.2-168.9-54.5175000109.5E49 L51 V66E49-I68 HydrophobicContact CB-CB 4.42Å; E49-I68 PolarHBondContact N-O 2.95Å; E49-I68 VanDerWaalsContact N-O 3.15Å; E49-I68 PolarHBondContact O-N 3.14Å; L51-I68 HydrophobicContact CD1-CD1 3.84Å; L51-I68 HydrophobicContact CG-CD1 3.97Å; V66-I68 HydrophobicContact CG1-CD1 4.37Å; V66-I68 HydrophobicContact CG1-CG1 3.93Å
69P89.8Confident88.5Confident3 Ų344.6 Ų44.62%0.01925%0.253CS..  trans-58139.5170.3-23.333000112.2T71 A72 V103 V107P69-T71 PolarHBondContact O-N 2.87Å; P69-A72 PolarHBondContact O-N 3.26Å; P69-V103 WeakPolarHBondContact CB-O 3.25Å; P69-V103 HydrophobicContact CG-CB 4.37Å; P69-V107 WeakPolarHBondContact CG-O 3.39Å
70K82.9Confident88.8Confident161 Ų16143.4 Ų43.470%0.724%0.241SC*.THydrogen-bonded Turntrans-65.8-18.8178.3-69.8176.8178.3160.80113.8L47L47-K70 WeakPolarHBondContact O-CE 3.34Å; L47-K70 PolarHBondContact O-NZ 3.3Å
71T71Confident89.2Confident105 Ų10538.2 Ų38.264%0.64421%0.213SC*.THydrogen-bonded Turntrans-105.914-172.339.60000113.7P69 S73 D106P69-T71 PolarHBondContact O-N 2.87Å; T71-S73 PolarHBondContact O-N 3.37Å; T71-D106 PolarHBondContact OG1-OD1 3.45Å
72A63.1Low89.4Confident56 Ų5637.5 Ų37.546%0.46321%0.206SC..  trans-43.7112.2-163.300000114P69P69-A72 PolarHBondContact O-N 3.26Å
73S67.6Low89.5Confident60 Ų6037 Ų3742%0.4220%0.203SC..  trans-63.9161.2165.847.90000110.7T71 D75 V76T71-S73 PolarHBondContact O-N 3.37Å; S73-D75 PolarHBondContact O-N 2.92Å; S73-D75 PolarHBondContact OG-O 3.15Å; S73-V76 WeakPolarHBondContact O-CG1 3.41Å
74L67.8Low89.5Confident150 Ų15034 Ų3479%0.78519%0.19SC*.SBendtrans-58.1-36.3176.8-75.3166.2000112H142L74-H142 WeakPolarHBondContact O-CB 3.24Å
75D80Confident89.4Confident107 Ų10735 Ų3557%0.57220%0.2SC*.SBendtrans-106.7124.6176-68.5-42.2000110.7S73S73-D75 PolarHBondContact O-N 2.92Å; S73-D75 PolarHBondContact OG-O 3.15Å
76V87.2Confident89.4Confident21 Ų2136.2 Ų36.213%0.12721%0.205CC..EExtended strand (participates in β ladder)trans-126.2146.2-178-65.30000112.3S73 V108 H142 S144S73-V76 WeakPolarHBondContact O-CG1 3.41Å; V76-V108 HydrophobicContact CB-CG2 4.26Å; V76-V108 HydrophobicContact CG2-CG2 4.01Å; V76-H142 PolarHBondContact N-O 3.04Å; V76-S144 PolarHBondContact O-N 3.24Å; V76-S144 PolarHBondContact O-OG 2.85Å
77N94.5Very high89.4Confident15 Ų1536.2 Ų36.28%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-83143.3163.4-73.3-60.6000108V107 V108 S144 Y147 M289N77-V107 HydrophobicContact CB-CG1 4.47Å; N77-V107 HydrophobicContact CB-CG2 4.37Å; N77-V107 WeakPolarHBondContact O-CA 3.35Å; N77-V108 PolarHBondContact O-N 3.43Å; N77-S144 PolarHBondContact N-OG 2.84Å; N77-S144 PolarHBondContact OD1-OG 2.96Å; N77-Y147 HydrophobicContact CB-CE2 4.07Å; N77-Y147 WeakPolarHBondContact OD1-CE2 3.43Å; N77-Y147 PolarHBondContact OD1-OH 3.37Å; N77-M289 HydrophobicContact CB-CB 4.48Å; N77-M289 HydrophobicContact CB-SD 4.09Å; N77-M289 PolarHBondContact ND2-O 2.57Å; N77-M289 VanDerWaalsContact ND2-O 3.13Å
78L96.4Very high89.5Confident1 Ų137.7 Ų37.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-127.4132.6179.4-172152.9000110.3I80 V108 V110 V136 Y140 I143 G145 L146 Y147L78-I80 HydrophobicContact CD2-CD1 4.43Å; L78-I80 HydrophobicContact CD2-CG1 3.66Å; L78-V108 CarbonylContact C-O 3.56Å; L78-V108 WeakPolarHBondContact CA-O 3.41Å; L78-V108 HydrophobicContact CB-CB 4.3Å; L78-V108 HydrophobicContact CD1-CB 4.15Å; L78-V108 HydrophobicContact CD1-CG1 3.78Å; L78-V108 HydrophobicContact CG-CB 4.04Å; L78-V108 HydrophobicContact CG-CG1 3.98Å; L78-V110 HydrophobicContact CD1-CG2 3.82Å; L78-V110 HydrophobicContact CD2-CB 4.29Å; L78-V110 HydrophobicContact CD2-CG2 3.73Å; L78-V110 HydrophobicContact CG-CG2 3.96Å; L78-V136 HydrophobicContact CD1-CG1 3.84Å; L78-V136 HydrophobicContact CD2-CG1 3.88Å; L78-Y140 HydrophobicContact CD1-CD2 4.38Å; L78-I143 HydrophobicContact CB-CG1 4.39Å; L78-I143 HydrophobicContact CB-CG2 4.28Å; L78-I143 HydrophobicContact CD1-CD1 4.19Å; L78-I143 HydrophobicContact CD1-CG1 4.3Å; L78-G145 PolarHBondContact N-O 2.82Å; L78-L146 HydrophobicContact CB-CD1 4.45Å; L78-L146 HydrophobicContact CD2-CD1 3.43Å; L78-L146 VanDerWaalsContact CD2-CD1 3.43Å; L78-L146 CarbonylContact O-C 3.55Å; L78-Y147 PolarHBondContact O-N 2.93Å
79V98.4Very high89.6Confident0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-109.5122.5172.5-175.70000109.3M98 L102 V107 V108 V109 V110 Y147 C149 M289V79-M98 HydrophobicContact CG1-CE 3.75Å; V79-M98 HydrophobicContact CG1-SD 4.17Å; V79-L102 HydrophobicContact CB-CD2 4.35Å; V79-L102 HydrophobicContact CG2-CD2 3.87Å; V79-V107 HydrophobicContact CG2-CG1 3.74Å; V79-V108 PolarHBondContact N-O 3.33Å; V79-V109 CarbonylContact O-C 3.56Å; V79-V109 WeakPolarHBondContact O-CA 3.35Å; V79-V110 PolarHBondContact O-N 3.19Å; V79-Y147 CarbonylContact C-O 3.51Å; V79-Y147 WeakPolarHBondContact CA-O 3.38Å; V79-C149 HydrophobicContact CG1-CB 4.08Å; V79-M289 HydrophobicContact CG2-CE 4.1Å; V79-M289 HydrophobicContact CG2-SD 3.55Å; V79-M289 VanDerWaalsContact CG2-SD 3.55Å
80I98.8Very high90Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-89.9121.3166.3-70.7174.1000108.3L78 I82 V110 V112 V133 V136 L146 Y147 L148 C149L78-I80 HydrophobicContact CD2-CD1 4.43Å; L78-I80 HydrophobicContact CD2-CG1 3.66Å; I80-I82 HydrophobicContact CG2-CG1 4.03Å; I80-V110 CarbonylContact C-O 3.5Å; I80-V110 WeakPolarHBondContact CA-O 3.33Å; I80-V110 HydrophobicContact CG1-CB 4.1Å; I80-V110 HydrophobicContact CG1-CG1 4.37Å; I80-V112 HydrophobicContact CG2-CG2 3.46Å; I80-V112 VanDerWaalsContact CG2-CG2 3.46Å; I80-V133 HydrophobicContact CD1-CG2 3.86Å; I80-V136 HydrophobicContact CD1-CB 4.23Å; I80-V136 HydrophobicContact CD1-CG1 4.2Å; I80-V136 HydrophobicContact CD1-CG2 4.08Å; I80-L146 HydrophobicContact CD1-CD1 3.79Å; I80-L146 HydrophobicContact CD1-CD2 4.35Å; I80-L146 HydrophobicContact CG1-CD1 3.92Å; I80-Y147 PolarHBondContact N-O 2.93Å; I80-L148 HydrophobicContact CB-CD2 3.93Å; I80-L148 HydrophobicContact CD1-CD2 4.46Å; I80-L148 HydrophobicContact CG2-CD2 4.29Å; I80-L148 CarbonylContact O-C 3.57Å; I80-L148 WeakPolarHBondContact O-CA 3.24Å; I80-C149 PolarHBondContact O-N 2.76Å
81Y98.9Very high90.7Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-99.6130.4171.9-176.5-98.7000111.3H83 F97 M98 V110 V112 C149 I271Y81-H83 HydrophobicContact CE1-CB 4.03Å; Y81-F97 HydrophobicContact CD1-CE1 4.5Å; Y81-F97 AromaticContact CE1-CE1 3.8Å; Y81-F97 HydrophobicContact CE1-CE1 3.8Å; Y81-F97 HydrophobicContact CE1-CZ 4.07Å; Y81-F97 HydrophobicContact CE2-CE1 4.38Å; Y81-F97 AromaticContact CE2-CZ 3.82Å; Y81-F97 HydrophobicContact CE2-CZ 3.82Å; Y81-F97 AromaticContact CZ-CE1 3.73Å; Y81-F97 AromaticContact CZ-CZ 3.53Å; Y81-F97 WeakPolarHBondContact OH-CZ 3.35Å; Y81-M98 HydrophobicContact CD2-SD 3.62Å; Y81-M98 HydrophobicContact CG-SD 3.88Å; Y81-V110 PolarHBondContact N-O 3.04Å; Y81-V112 PolarHBondContact O-N 3.04Å; Y81-C149 CarbonylContact C-O 3.51Å; Y81-C149 VanDerWaalsContact CA-O 3.25Å; Y81-C149 WeakPolarHBondContact CA-O 3.37Å; Y81-C149 HydrophobicContact CD2-CB 4.05Å; Y81-C149 WeakPolarHBondContact CD2-O 3.38Å; Y81-I271 HydrophobicContact CE2-CD1 4.2Å; Y81-I271 HydrophobicContact CE2-CG1 4.16Å
82I98.9Very high92Very high1 Ų133.2 Ų33.21%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-118.4118.2177.4-47.8178.3000108.2I80 Y114 V129 C149 G150 H151 G154 L157 A158 V161I80-I82 HydrophobicContact CG2-CG1 4.03Å; I82-Y114 HydrophobicContact CG2-CD1 4.33Å; I82-Y114 HydrophobicContact CG2-CE1 3.66Å; I82-V129 HydrophobicContact CD1-CB 4.43Å; I82-V129 HydrophobicContact CD1-CG1 4.49Å; I82-V129 HydrophobicContact CG2-CG1 4.21Å; I82-C149 PolarHBondContact N-O 3.22Å; I82-G150 WeakPolarHBondContact O-CA 3.48Å; I82-H151 PolarHBondContact O-N 3.08Å; I82-G154 WeakPolarHBondContact O-CA 3.39Å; I82-L157 HydrophobicContact CD1-CB 4.39Å; I82-L157 HydrophobicContact CG2-CB 3.9Å; I82-L157 HydrophobicContact CG2-CD1 3.86Å; I82-A158 HydrophobicContact CD1-CB 4.1Å; I82-V161 HydrophobicContact CD1-CG2 4.47Å
83H98.8Very high93.7Very high1 Ų134 Ų341%0.00518%0.182CC..  trans-72.9162.3-173.768.483000113.6Y81 L90 S91 S95 Y114 G154Y81-H83 HydrophobicContact CE1-CB 4.03Å; H83-L90 HydrophobicContact CB-CB 4.49Å; H83-L90 PolarHBondContact CE1-O 3.33Å; H83-S91 WeakPolarHBondContact NE2-CA 3.34Å; H83-S95 WeakPolarHBondContact CB-OG 3.45Å; H83-Y114 AromaticContact CD2-CE1 3.64Å; H83-Y114 AromaticContact CE1-CE1 3.78Å; H83-Y114 AromaticContact CE1-CZ 3.43Å; H83-Y114 VanDerWaalsContact CE1-CZ 3.43Å; H83-Y114 PolarHBondContact CE1-OH 2.8Å; H83-Y114 VanDerWaalsContact CE1-OH 3.27Å; H83-Y114 AromaticContact ND1-CZ 3.83Å; H83-Y114 PolarHBondContact ND1-OH 3.01Å; H83-Y114 AromaticContact NE2-CD1 3.99Å; H83-Y114 AromaticContact NE2-CE1 3.43Å; H83-Y114 WeakPolarHBondContact NE2-CE1 3.36Å; H83-Y114 AromaticContact NE2-CZ 3.57Å; H83-Y114 PolarHBondContact O-OH 3.5Å; H83-G154 WeakPolarHBondContact O-CA 3.45Å; H83-G154 PolarHBondContact O-N 3.03Å; H83-G154 VanDerWaalsContact O-N 3.08Å
84G98.2Very high95.1Very high0 Ų032.7 Ų32.70%017%0.169CC..  trans-88.1-140.7175.500000113H151G84-H151 WeakPolarHBondContact CA-O 3.49Å; G84-H151 PolarHBondContact N-O 2.83Å
85G97.7Very high96.6Very high20 Ų2025.6 Ų25.621%0.20613%0.132CC..SBendtrans90.329.6175.200000114.5W87 Q88 F89G85-W87 PolarHBondContact O-N 2.93Å; G85-Q88 PolarHBondContact O-N 2.8Å; G85-F89 PolarHBondContact O-N 2.87Å
86Y98.1Very high97.4Very high27 Ų2720.5 Ų20.511%0.10611%0.105CC..THydrogen-bonded Turntrans52.630.8177.4-93.8-57.3000114.5Y15 Q88 I195 F239Y15-Y86 WeakPolarHBondContact CB-OH 3.09Å; Y15-Y86 WeakPolarHBondContact O-CE2 3.4Å; Y15-Y86 PolarHBondContact O-OH 3.07Å; Y86-Q88 VanDerWaalsContact O-CG 3.24Å; Y86-Q88 WeakPolarHBondContact O-CG 3.45Å; Y86-Q88 PolarHBondContact O-N 3.09Å; Y86-Q88 VanDerWaalsContact O-N 3.12Å; Y86-Q88 PolarHBondContact O-NE2 3.32Å; Y86-I195 HydrophobicContact CD1-CD1 4.38Å; Y86-I195 HydrophobicContact CD1-CG1 4.45Å; Y86-I195 HydrophobicContact CD1-CG2 3.43Å; Y86-I195 VanDerWaalsContact CD1-CG2 3.43Å; Y86-I195 HydrophobicContact CD2-CG1 4.5Å; Y86-I195 HydrophobicContact CE1-CD1 3.76Å; Y86-I195 HydrophobicContact CE1-CG1 4.31Å; Y86-I195 HydrophobicContact CE1-CG2 3.76Å; Y86-I195 HydrophobicContact CE2-CD1 3.92Å; Y86-I195 HydrophobicContact CE2-CG1 4.34Å; Y86-I195 HydrophobicContact CG-CG2 3.96Å; Y86-I195 VanDerWaalsContact CZ-CD1 3.49Å; Y86-F239 HydrophobicContact CE1-CZ 4.47Å; Y86-F239 AromaticContact CZ-CZ 3.9Å; Y86-F239 WeakPolarHBondContact OH-CE2 3.46Å; Y86-F239 VanDerWaalsContact OH-CZ 3.31Å; Y86-F239 WeakPolarHBondContact OH-CZ 2.99Å
87W98.7Very high98Very high0 Ų019.6 Ų19.60%010%0.099CC..THydrogen-bonded Turntrans57.721.4-175.7-44-84.8000114G85 I116 A117 M122 M125 A153 H156 I184 L187 I190 L199G85-W87 PolarHBondContact O-N 2.93Å; W87-I116 CarbonylContact O-C 3.6Å; W87-I116 WeakPolarHBondContact O-CA 3.44Å; W87-I116 WeakPolarHBondContact O-CB 3.34Å; W87-A117 PolarHBondContact O-N 3.26Å; W87-M122 HydrophobicContact CD2-CE 3.64Å; W87-M122 HydrophobicContact CE3-CE 3.84Å; W87-M122 HydrophobicContact CG-CE 4.16Å; W87-M122 HydrophobicContact CH2-CE 4.11Å; W87-M122 HydrophobicContact CZ2-CE 3.89Å; W87-M122 HydrophobicContact CZ3-CE 4.08Å; W87-M125 HydrophobicContact CB-CE 3.7Å; W87-M125 HydrophobicContact CB-SD 3.63Å; W87-M125 HydrophobicContact CG-CE 4.29Å; W87-M125 HydrophobicContact CG-SD 4.29Å; W87-A153 HydrophobicContact CD2-CB 3.75Å; W87-A153 HydrophobicContact CE3-CB 4.43Å; W87-A153 HydrophobicContact CG-CB 3.92Å; W87-A153 HydrophobicContact CZ2-CB 4.07Å; W87-A153 PolarHBondContact NE1-O 3.34Å; W87-H156 AromaticContact CE2-ND1 3.67Å; W87-H156 HydrophobicContact CZ2-CB 3.94Å; W87-H156 AromaticContact CZ2-CG 3.59Å; W87-H156 AromaticContact CZ2-ND1 3.53Å; W87-H156 AromaticContact NE1-CE1 3.97Å; W87-H156 AromaticContact NE1-ND1 3.27Å; W87-H156 PolarHBondContact NE1-ND1 3.39Å; W87-I184 HydrophobicContact CH2-CD1 4.43Å; W87-I184 HydrophobicContact CH2-CG2 3.56Å; W87-I184 HydrophobicContact CZ2-CG2 3.73Å; W87-L187 HydrophobicContact CH2-CD2 3.55Å; W87-L187 HydrophobicContact CZ2-CD2 3.98Å; W87-I190 HydrophobicContact CH2-CD1 3.96Å; W87-I190 HydrophobicContact CZ3-CD1 3.63Å; W87-L199 HydrophobicContact CB-CD2 3.98Å; W87-L199 HydrophobicContact CE3-CD1 3.67Å; W87-L199 HydrophobicContact CE3-CD2 4.4Å; W87-L199 HydrophobicContact CZ3-CD1 4.07Å
88Q97.9Very high98.1Very high30 Ų3019 Ų1914%0.1410%0.096CC..THydrogen-bonded Turntrans-134.6-15.2-170-73.116664.900112.9G85 Y86 I116 A117 I195 P198G85-Q88 PolarHBondContact O-N 2.8Å; Y86-Q88 VanDerWaalsContact O-CG 3.24Å; Y86-Q88 WeakPolarHBondContact O-CG 3.45Å; Y86-Q88 PolarHBondContact O-N 3.09Å; Y86-Q88 VanDerWaalsContact O-N 3.12Å; Y86-Q88 PolarHBondContact O-NE2 3.32Å; Q88-I116 WeakPolarHBondContact O-CD1 3.2Å; Q88-A117 HydrophobicContact CG-CB 4.03Å; Q88-I195 PolarHBondContact NE2-O 2.9Å; Q88-P198 HydrophobicContact CG-CG 3.81Å
89F96.8Very high98.2Very high138 Ų13818.9 Ų18.961%0.60510%0.095SC*.SBendtrans-143168.2-174.9-66.4-79.1000110.4G85G85-F89 PolarHBondContact O-N 2.87Å
90L98.1Very high98.1Very high30 Ų3019.1 Ų19.116%0.15710%0.097CC..  trans64.9171-174.5-53.8174.6000112.8V34 L37 H83V34-L90 HydrophobicContact CG2-CD2 3.88Å; L37-L90 HydrophobicContact CD1-CD1 4.33Å; H83-L90 HydrophobicContact CB-CB 4.49Å; H83-L90 PolarHBondContact CE1-O 3.33Å
91S98.3Very high98Very high33 Ų3319.8 Ų19.823%0.23110%0.101CC..  trans-157-178.8-178.563.50000110.7H83 E93 E94 S95H83-S91 WeakPolarHBondContact NE2-CA 3.34Å; S91-E93 WeakPolarHBondContact CB-OE2 3.36Å; S91-E93 PolarHBondContact O-N 2.82Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.31Å; S91-E93 PolarHBondContact OG-OE2 2.78Å; S91-E94 PolarHBondContact N-OE2 2.71Å; S91-E94 PolarHBondContact O-N 2.98Å; S91-E94 PolarHBondContact OG-OE2 2.87Å; S91-S95 PolarHBondContact O-OG 3.23Å
92K97.9Very high97.9Very high8 Ų819.9 Ų19.94%0.03510%0.101CC..G310 helixtrans-65.5-20.2174.864.6174.3-177.155.70112.4N53 K63 D65 E94 S95 A111N53-K92 WeakPolarHBondContact OD1-CE 3.46Å; N53-K92 PolarHBondContact OD1-NZ 3.38Å; K63-K92 HydrophobicContact CB-CD 4.26Å; K63-K92 WeakPolarHBondContact O-CD 3.31Å; D65-K92 WeakPolarHBondContact OD1-CE 3.36Å; D65-K92 IonicContact OD1-NZ 2.92Å; D65-K92 PolarHBondContact OD1-NZ 3.18Å; D65-K92 IonicContact OD2-NZ 3.05Å; K92-E94 PolarHBondContact O-N 3.35Å; K92-S95 WeakPolarHBondContact O-CB 3.37Å; K92-S95 PolarHBondContact O-N 2.91Å; K92-A111 HydrophobicContact CB-CB 4.22Å
93E97.9Very high97.7Very high73 Ų7320 Ų2034%0.34110%0.103SC..G310 helixtrans-66.2-24.3-179.5-7163.1-155.800112.6T41 S91T41-E93 VanDerWaalsContact CG2-O 3.24Å; T41-E93 WeakPolarHBondContact CG2-O 3.46Å; S91-E93 WeakPolarHBondContact CB-OE2 3.36Å; S91-E93 PolarHBondContact O-N 2.82Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.31Å; S91-E93 PolarHBondContact OG-OE2 2.78Å
94E98.3Very high97.4Very high32 Ų3225.8 Ų25.815%0.1513%0.133CC..G310 helixtrans-101.711.5173.5-59.879.1-154.100112.8V34 L37 K38 T41 S91 K92 F97V34-E94 HydrophobicContact CG1-CG 4.43Å; L37-E94 HydrophobicContact CB-CB 3.93Å; L37-E94 WeakPolarHBondContact CB-O 3.43Å; L37-E94 HydrophobicContact CD1-CB 4.37Å; K38-E94 HydrophobicContact CB-CG 4.5Å; T41-E94 PolarHBondContact OG1-O 3.09Å; S91-E94 PolarHBondContact N-OE2 2.71Å; S91-E94 PolarHBondContact O-N 2.98Å; S91-E94 PolarHBondContact OG-OE2 2.87Å; K92-E94 PolarHBondContact O-N 3.35Å; E94-F97 WeakPolarHBondContact O-CD1 3.33Å
95S98.4Very high97.1Very high1 Ų129.3 Ų29.31%0.00715%0.148CC..  trans-115.18.8-162.5-69.60000115T41 H83 S91 K92T41-S95 PolarHBondContact OG1-N 2.68Å; H83-S95 WeakPolarHBondContact CB-OG 3.45Å; S91-S95 PolarHBondContact O-OG 3.23Å; K92-S95 WeakPolarHBondContact O-CB 3.37Å; K92-S95 PolarHBondContact O-N 2.91Å
96G97.9Very high96.8Very high0 Ų030.5 Ų30.50%015%0.15CC..  trans-91.6-8.4179.900000115T41 A44 Y67 M98 A99T41-G96 PolarHBondContact OG1-N 2.84Å; A44-G96 WeakPolarHBondContact CB-O 3.48Å; Y67-G96 VanDerWaalsContact CZ-CA 3.47Å; G96-M98 VanDerWaalsContact C-N 3.28Å; G96-M98 PolarHBondContact O-N 3.38Å; G96-M98 VanDerWaalsContact O-N 3.15Å; G96-A99 WeakPolarHBondContact O-CB 3.37Å; G96-A99 PolarHBondContact O-N 2.9Å
97F98.3Very high96.7Very high2 Ų229.2 Ų29.21%0.00915%0.145CC..THydrogen-bonded Turntrans-53.9-37.4-170.760.6-84.5000114.8L37 T41 Y81 E94 A99 V100 I271 L274L37-F97 HydrophobicContact CD2-CD1 3.72Å; L37-F97 HydrophobicContact CD2-CD2 4.39Å; L37-F97 HydrophobicContact CD2-CE1 3.63Å; L37-F97 HydrophobicContact CD2-CE2 4.29Å; L37-F97 HydrophobicContact CD2-CG 4.12Å; L37-F97 HydrophobicContact CD2-CZ 3.93Å; T41-F97 PolarHBondContact OG1-N 3.36Å; Y81-F97 HydrophobicContact CD1-CE1 4.5Å; Y81-F97 AromaticContact CE1-CE1 3.8Å; Y81-F97 HydrophobicContact CE1-CE1 3.8Å; Y81-F97 HydrophobicContact CE1-CZ 4.07Å; Y81-F97 HydrophobicContact CE2-CE1 4.38Å; Y81-F97 AromaticContact CE2-CZ 3.82Å; Y81-F97 HydrophobicContact CE2-CZ 3.82Å; Y81-F97 AromaticContact CZ-CE1 3.73Å; Y81-F97 AromaticContact CZ-CZ 3.53Å; Y81-F97 WeakPolarHBondContact OH-CZ 3.35Å; E94-F97 WeakPolarHBondContact O-CD1 3.33Å; F97-A99 PolarHBondContact O-N 3.41Å; F97-V100 WeakPolarHBondContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.19Å; F97-V100 PolarHBondContact O-N 3.16Å; F97-I271 HydrophobicContact CE2-CG1 4.05Å; F97-I271 VanDerWaalsContact CE2-O 3.31Å; F97-I271 WeakPolarHBondContact CE2-O 3.47Å; F97-I271 HydrophobicContact CZ-CG1 3.82Å; F97-L274 HydrophobicContact CD2-CB 4.28Å; F97-L274 HydrophobicContact CE2-CB 3.93Å; F97-L274 HydrophobicContact CE2-CD1 4.31Å
98M97.3Very high96.6Very high1 Ų129.7 Ų29.71%0.00515%0.148CC..THydrogen-bonded Turntrans-70.9-13179.975.1-176.4-55.700113.3V79 Y81 G96 V100 P101 L102 V109 C149 L274 L285V79-M98 HydrophobicContact CG1-CE 3.75Å; V79-M98 HydrophobicContact CG1-SD 4.17Å; Y81-M98 HydrophobicContact CD2-SD 3.62Å; Y81-M98 HydrophobicContact CG-SD 3.88Å; G96-M98 VanDerWaalsContact C-N 3.28Å; G96-M98 PolarHBondContact O-N 3.38Å; G96-M98 VanDerWaalsContact O-N 3.15Å; M98-V100 PolarHBondContact O-N 3.22Å; M98-P101 WeakPolarHBondContact O-CD 3.44Å; M98-L102 HydrophobicContact CE-CD2 3.83Å; M98-L102 HydrophobicContact CG-CD2 4.48Å; M98-L102 WeakPolarHBondContact O-CB 3.45Å; M98-L102 WeakPolarHBondContact O-CD1 3.44Å; M98-V109 HydrophobicContact CG-CG1 3.73Å; M98-V109 HydrophobicContact CG-CG2 4.35Å; M98-V109 HydrophobicContact SD-CG1 4.25Å; M98-C149 HydrophobicContact CE-CB 4Å; M98-C149 HydrophobicContact SD-CB 4.34Å; M98-L274 HydrophobicContact CB-CB 4.19Å; M98-L274 HydrophobicContact CE-CD1 4.41Å; M98-L285 HydrophobicContact CE-CD2 3.3Å
99A97.8Very high96.6Very high0 Ų028.3 Ų28.30%014%0.141CC..Hα-helixtrans-65.9-25.4173.100000111.8A44 Y67 G96 F97 L102 V103 V109A44-A99 HydrophobicContact CB-CB 3.88Å; Y67-A99 HydrophobicContact CD1-CB 3.99Å; Y67-A99 HydrophobicContact CD2-CB 4.34Å; Y67-A99 HydrophobicContact CG-CB 3.73Å; G96-A99 WeakPolarHBondContact O-CB 3.37Å; G96-A99 PolarHBondContact O-N 2.9Å; F97-A99 PolarHBondContact O-N 3.41Å; A99-L102 PolarHBondContact O-N 3.49Å; A99-V103 HydrophobicContact CB-CG1 4.01Å; A99-V103 WeakPolarHBondContact O-CG1 3.42Å; A99-V103 VanDerWaalsContact O-CG2 3.23Å; A99-V103 WeakPolarHBondContact O-CG2 3.34Å; A99-V103 PolarHBondContact O-N 3.09Å; A99-V109 HydrophobicContact CB-CB 3.88Å; A99-V109 HydrophobicContact CB-CG1 4.26Å; A99-V109 HydrophobicContact CB-CG2 3.96Å
100V97.4Very high96.7Very high5 Ų521.7 Ų21.73%0.0311%0.113CC..Hα-helixtrans-50.6-56.1-178.6170.50000112.6R43 A44 L47 F97 M98 V275R43-V100 HydrophobicContact CB-CG2 4.1Å; R43-V100 HydrophobicContact CG-CG2 3.93Å; A44-V100 HydrophobicContact CB-CG2 3.93Å; L47-V100 HydrophobicContact CD1-CB 4.37Å; L47-V100 HydrophobicContact CD1-CG1 3.91Å; L47-V100 HydrophobicContact CD1-CG2 4.28Å; F97-V100 WeakPolarHBondContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.19Å; F97-V100 PolarHBondContact O-N 3.16Å; M98-V100 PolarHBondContact O-N 3.22Å; V100-V275 HydrophobicContact CB-CG2 3.78Å; V100-V275 HydrophobicContact CG1-CG2 3.96Å; V100-V275 HydrophobicContact CG2-CG2 3.72Å
101P96.9Very high96.7Very high14 Ų1420.3 Ų20.39%0.09111%0.105CC..Hα-helixtrans-84.6-19.2177.129.7-33.9000114.2M98 L274 T282M98-P101 WeakPolarHBondContact O-CD 3.44Å; P101-L274 WeakPolarHBondContact CG-O 3.46Å; P101-T282 HydrophobicContact CB-CG2 4.02Å; P101-T282 HydrophobicContact CG-CG2 3.66Å
102L96.3Very high96.7Very high1 Ų118.7 Ų18.71%0.0059%0.094CC..Hα-helixtrans-82.6-37.9-172.1-9357.9000113V79 M98 A99 D104 K105 V107 V109 T282 L285 L286 M289V79-L102 HydrophobicContact CB-CD2 4.35Å; V79-L102 HydrophobicContact CG2-CD2 3.87Å; M98-L102 HydrophobicContact CE-CD2 3.83Å; M98-L102 HydrophobicContact CG-CD2 4.48Å; M98-L102 WeakPolarHBondContact O-CB 3.45Å; M98-L102 WeakPolarHBondContact O-CD1 3.44Å; A99-L102 PolarHBondContact O-N 3.49Å; L102-D104 VanDerWaalsContact C-N 3.29Å; L102-D104 PolarHBondContact O-N 2.68Å; L102-K105 CarbonylContact O-C 3.55Å; L102-K105 WeakPolarHBondContact O-CA 3.34Å; L102-K105 PolarHBondContact O-N 2.56Å; L102-V107 HydrophobicContact CB-CB 4.04Å; L102-V107 HydrophobicContact CB-CG1 4.29Å; L102-V107 HydrophobicContact CD2-CG1 4.12Å; L102-V107 HydrophobicContact CG-CB 4.33Å; L102-V107 HydrophobicContact CG-CG1 4.26Å; L102-V107 WeakPolarHBondContact O-CB 3.48Å; L102-V107 PolarHBondContact O-N 2.79Å; L102-V107 VanDerWaalsContact O-N 3.13Å; L102-V109 HydrophobicContact CB-CG2 3.83Å; L102-V109 HydrophobicContact CD2-CG2 3.65Å; L102-V109 HydrophobicContact CG-CG2 4.41Å; L102-T282 HydrophobicContact CD1-CG2 4.21Å; L102-L285 HydrophobicContact CD1-CD2 4.43Å; L102-L285 HydrophobicContact CD2-CD2 4.03Å; L102-L286 HydrophobicContact CD1-CD2 4.09Å; L102-L286 HydrophobicContact CD1-CG 4.42Å; L102-L286 HydrophobicContact CG-CD2 4.23Å; L102-M289 HydrophobicContact CD2-CE 4.37Å; L102-M289 HydrophobicContact CG-CE 4.32Å
103V94.4Very high96.7Very high5 Ų518.6 Ų18.63%0.0310%0.095CC..Hα-helixtrans-67.1-33.2-177.7-62.40000112.1A48 P69 A99 K105 D106A48-V103 HydrophobicContact CB-CB 4.35Å; A48-V103 HydrophobicContact CB-CG1 3.91Å; A48-V103 HydrophobicContact CB-CG2 4.22Å; P69-V103 WeakPolarHBondContact CB-O 3.25Å; P69-V103 HydrophobicContact CG-CB 4.37Å; A99-V103 HydrophobicContact CB-CG1 4.01Å; A99-V103 WeakPolarHBondContact O-CG1 3.42Å; A99-V103 VanDerWaalsContact O-CG2 3.23Å; A99-V103 WeakPolarHBondContact O-CG2 3.34Å; A99-V103 PolarHBondContact O-N 3.09Å; V103-K105 PolarHBondContact O-N 3.19Å; V103-K105 VanDerWaalsContact O-N 3.16Å; V103-D106 PolarHBondContact O-N 2.97Å; V103-D106 VanDerWaalsContact O-N 3.09Å
104D92.1Very high96.8Very high121 Ų12115.6 Ų15.665%0.6478%0.081SC*.THydrogen-bonded Turntrans-66.3-12.9173.5-73.2-8.1000112.9L102L102-D104 VanDerWaalsContact C-N 3.29Å; L102-D104 PolarHBondContact O-N 2.68Å
105K93.1Very high96.8Very high74 Ų7415 Ų1532%0.3228%0.079SC..THydrogen-bonded Turntrans-107.118.8176.4-59.3-64.9-175.4169.50112.3L102 V103 V107 L286 K291 S292L102-K105 CarbonylContact O-C 3.55Å; L102-K105 WeakPolarHBondContact O-CA 3.34Å; L102-K105 PolarHBondContact O-N 2.56Å; V103-K105 PolarHBondContact O-N 3.19Å; V103-K105 VanDerWaalsContact O-N 3.16Å; K105-V107 VanDerWaalsContact C-N 3.33Å; K105-V107 HydrophobicContact CB-CG2 4.45Å; K105-V107 PolarHBondContact O-N 2.83Å; K105-L286 HydrophobicContact CB-CD2 3.82Å; K105-L286 HydrophobicContact CG-CD1 4.22Å; K105-L286 HydrophobicContact CG-CD2 3.82Å; K105-K291 HydrophobicContact CB-CB 4.32Å; K105-K291 HydrophobicContact CB-CG 4.38Å; K105-K291 VanDerWaalsContact O-CD 3.28Å; K105-K291 WeakPolarHBondContact O-CD 3.11Å; K105-K291 WeakPolarHBondContact O-CE 3.33Å; K105-K291 PolarHBondContact O-NZ 2.74Å; K105-S292 PolarHBondContact NZ-O 3.41Å
106D91.9Very high96.7Very high46 Ų4617.5 Ų17.525%0.2469%0.091CC..THydrogen-bonded Turntrans55.744.2-176.8-53.6-64.7000112.7T71 V103T71-D106 PolarHBondContact OG1-OD1 3.45Å; V103-D106 PolarHBondContact O-N 2.97Å; V103-D106 VanDerWaalsContact O-N 3.09Å
107V94.6Very high96.7Very high0 Ų017.8 Ų17.80%09%0.094CC..EExtended strand (participates in β ladder)trans-113.4126.6174.2-179.30000109.1P69 N77 V79 L102 K105 M289 K291P69-V107 WeakPolarHBondContact CG-O 3.39Å; N77-V107 HydrophobicContact CB-CG1 4.47Å; N77-V107 HydrophobicContact CB-CG2 4.37Å; N77-V107 WeakPolarHBondContact O-CA 3.35Å; V79-V107 HydrophobicContact CG2-CG1 3.74Å; L102-V107 HydrophobicContact CB-CB 4.04Å; L102-V107 HydrophobicContact CB-CG1 4.29Å; L102-V107 HydrophobicContact CD2-CG1 4.12Å; L102-V107 HydrophobicContact CG-CB 4.33Å; L102-V107 HydrophobicContact CG-CG1 4.26Å; L102-V107 WeakPolarHBondContact O-CB 3.48Å; L102-V107 PolarHBondContact O-N 2.79Å; L102-V107 VanDerWaalsContact O-N 3.13Å; K105-V107 VanDerWaalsContact C-N 3.33Å; K105-V107 HydrophobicContact CB-CG2 4.45Å; K105-V107 PolarHBondContact O-N 2.83Å; V107-M289 HydrophobicContact CB-CE 4.45Å; V107-M289 HydrophobicContact CB-SD 4.49Å; V107-M289 HydrophobicContact CG1-CE 3.97Å; V107-M289 HydrophobicContact CG1-SD 3.66Å; V107-M289 HydrophobicContact CG2-CE 3.82Å; V107-M289 HydrophobicContact CG2-SD 3.96Å; V107-K291 HydrophobicContact CG2-CG 4.22Å
108V96.1Very high96.6Very high10 Ų1023 Ų236%0.06113%0.128CC..EExtended strand (participates in β ladder)trans-77.3135.7171.7177.10000108.8V66 Y67 V76 N77 L78 V79 V110V66-V108 HydrophobicContact CG1-CG1 3.8Å; Y67-V108 WeakPolarHBondContact O-CA 3.41Å; V76-V108 HydrophobicContact CB-CG2 4.26Å; V76-V108 HydrophobicContact CG2-CG2 4.01Å; N77-V108 PolarHBondContact O-N 3.43Å; L78-V108 CarbonylContact C-O 3.56Å; L78-V108 WeakPolarHBondContact CA-O 3.41Å; L78-V108 HydrophobicContact CB-CB 4.3Å; L78-V108 HydrophobicContact CD1-CB 4.15Å; L78-V108 HydrophobicContact CD1-CG1 3.78Å; L78-V108 HydrophobicContact CG-CB 4.04Å; L78-V108 HydrophobicContact CG-CG1 3.98Å; V79-V108 PolarHBondContact N-O 3.33Å; V108-V110 HydrophobicContact CG1-CG2 4.32Å
109V98Very high96.5Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-114.4132.4173.21780000109.4Y67 V79 M98 A99 L102Y67-V109 HydrophobicContact CD2-CB 4.47Å; Y67-V109 HydrophobicContact CD2-CG1 4.47Å; Y67-V109 PolarHBondContact N-O 3.37Å; Y67-V109 PolarHBondContact O-N 2.83Å; V79-V109 CarbonylContact O-C 3.56Å; V79-V109 WeakPolarHBondContact O-CA 3.35Å; M98-V109 HydrophobicContact CG-CG1 3.73Å; M98-V109 HydrophobicContact CG-CG2 4.35Å; M98-V109 HydrophobicContact SD-CG1 4.25Å; A99-V109 HydrophobicContact CB-CB 3.88Å; A99-V109 HydrophobicContact CB-CG1 4.26Å; A99-V109 HydrophobicContact CB-CG2 3.96Å; L102-V109 HydrophobicContact CB-CG2 3.83Å; L102-V109 HydrophobicContact CD2-CG2 3.65Å; L102-V109 HydrophobicContact CG-CG2 4.41Å
110V98.6Very high96.3Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-118112.1177176.70000108.3L64 V66 L78 V79 I80 Y81 V108 V112 V136L64-V110 HydrophobicContact CB-CG1 4.08Å; L64-V110 HydrophobicContact CD1-CG1 3.98Å; L64-V110 HydrophobicContact CD2-CG1 3.95Å; L64-V110 HydrophobicContact CG-CG1 4.22Å; V66-V110 HydrophobicContact CG1-CG2 4.08Å; V66-V110 HydrophobicContact CG2-CG1 4.46Å; V66-V110 HydrophobicContact CG2-CG2 4.19Å; L78-V110 HydrophobicContact CD1-CG2 3.82Å; L78-V110 HydrophobicContact CD2-CB 4.29Å; L78-V110 HydrophobicContact CD2-CG2 3.73Å; L78-V110 HydrophobicContact CG-CG2 3.96Å; V79-V110 PolarHBondContact O-N 3.19Å; I80-V110 CarbonylContact C-O 3.5Å; I80-V110 WeakPolarHBondContact CA-O 3.33Å; I80-V110 HydrophobicContact CG1-CB 4.1Å; I80-V110 HydrophobicContact CG1-CG1 4.37Å; Y81-V110 PolarHBondContact N-O 3.04Å; V108-V110 HydrophobicContact CG1-CG2 4.32Å; V110-V112 HydrophobicContact CG1-CG2 4.27Å; V110-V136 HydrophobicContact CG1-CG2 4.09Å; V110-V136 HydrophobicContact CG2-CG2 4.45Å
111A98.8Very high96.3Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-86.7118.6170.300000109.4L64 D65 Y67 K92L64-A111 WeakPolarHBondContact CA-O 3.37Å; D65-A111 HydrophobicContact CB-CB 4.3Å; D65-A111 PolarHBondContact N-O 3.17Å; D65-A111 PolarHBondContact O-N 2.83Å; Y67-A111 HydrophobicContact CE2-CB 4.15Å; K92-A111 HydrophobicContact CB-CB 4.22Å
112V98.8Very high96.4Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-91.8123.5-178.1176.70000110Y56 L64 I80 Y81 V110 Y114 V129Y56-V112 HydrophobicContact CE1-CG1 4.27Å; L64-V112 HydrophobicContact CD2-CB 4.26Å; L64-V112 HydrophobicContact CD2-CG1 4.34Å; L64-V112 HydrophobicContact CD2-CG2 3.78Å; I80-V112 HydrophobicContact CG2-CG2 3.46Å; I80-V112 VanDerWaalsContact CG2-CG2 3.46Å; Y81-V112 PolarHBondContact O-N 3.04Å; V110-V112 HydrophobicContact CG1-CG2 4.27Å; V112-Y114 HydrophobicContact CG1-CD1 4.41Å; V112-V129 HydrophobicContact CG1-CG1 4.36Å
113G98.6Very high96.5Very high6 Ų634.6 Ų34.66%0.06219%0.185CC..PPolyproline II helixtrans-84152.4160.600000109.9Y56 G61 K63Y56-G113 VanDerWaalsContact CE1-O 3.3Å; Y56-G113 WeakPolarHBondContact CE1-O 3.43Å; Y56-G113 PolarHBondContact OH-O 2.88Å; G61-G113 CarbonylContact O-C 3.49Å; K63-G113 WeakPolarHBondContact O-CA 3.27Å; K63-G113 PolarHBondContact O-N 3.27Å
114Y98.6Very high96.6Very high10 Ų1037 Ų374%0.03920%0.197CC..  trans-151.2161.1167.951.2-89.2000108.3G61 I82 H83 V112 I116 M125 V129 L157G61-Y114 WeakPolarHBondContact O-CA 3.19Å; G61-Y114 PolarHBondContact O-N 3.47Å; I82-Y114 HydrophobicContact CG2-CD1 4.33Å; I82-Y114 HydrophobicContact CG2-CE1 3.66Å; H83-Y114 AromaticContact CD2-CE1 3.64Å; H83-Y114 AromaticContact CE1-CE1 3.78Å; H83-Y114 AromaticContact CE1-CZ 3.43Å; H83-Y114 VanDerWaalsContact CE1-CZ 3.43Å; H83-Y114 PolarHBondContact CE1-OH 2.8Å; H83-Y114 VanDerWaalsContact CE1-OH 3.27Å; H83-Y114 AromaticContact ND1-CZ 3.83Å; H83-Y114 PolarHBondContact ND1-OH 3.01Å; H83-Y114 AromaticContact NE2-CD1 3.99Å; H83-Y114 AromaticContact NE2-CE1 3.43Å; H83-Y114 WeakPolarHBondContact NE2-CE1 3.36Å; H83-Y114 AromaticContact NE2-CZ 3.57Å; H83-Y114 PolarHBondContact O-OH 3.5Å; V112-Y114 HydrophobicContact CG1-CD1 4.41Å; Y114-I116 HydrophobicContact CD2-CG2 4.42Å; Y114-I116 HydrophobicContact CE2-CG2 4.12Å; Y114-M125 HydrophobicContact CD2-CB 4.36Å; Y114-M125 HydrophobicContact CD2-CG 4.11Å; Y114-M125 HydrophobicContact CD2-SD 4.14Å; Y114-M125 HydrophobicContact CE2-SD 4.24Å; Y114-V129 HydrophobicContact CD1-CG1 3.93Å; Y114-V129 HydrophobicContact CG-CG1 4.25Å; Y114-L157 HydrophobicContact CD1-CD1 4.3Å; Y114-L157 HydrophobicContact CD2-CD1 4.24Å; Y114-L157 HydrophobicContact CE1-CD1 3.79Å; Y114-L157 HydrophobicContact CE2-CD1 3.74Å; Y114-L157 VanDerWaalsContact CZ-CD1 3.48Å
115D98Very high96.9Very high19 Ų1931.2 Ų31.210%0.10217%0.166CC..  trans-66.3143.7176.5-74.5-42.8000110.2K119 M125 Q128D115-K119 IonicContact OD1-NZ 2.79Å; D115-M125 WeakPolarHBondContact O-CG 3.09Å; D115-Q128 PolarHBondContact OD2-NE2 3.12Å
116I98Very high97.2Very high53 Ų5327.8 Ų27.827%0.27215%0.151SC..  trans-112.6155.3177.752.8169.6000110.6W87 Q88 Y114 K119 G120W87-I116 CarbonylContact O-C 3.6Å; W87-I116 WeakPolarHBondContact O-CA 3.44Å; W87-I116 WeakPolarHBondContact O-CB 3.34Å; Q88-I116 WeakPolarHBondContact O-CD1 3.2Å; Y114-I116 HydrophobicContact CD2-CG2 4.42Å; Y114-I116 HydrophobicContact CE2-CG2 4.12Å; I116-K119 PolarHBondContact O-N 2.79Å; I116-G120 PolarHBondContact O-N 2.8Å
117A97.9Very high97.5Very high7 Ų727.1 Ų27.16%0.05815%0.15CC..THydrogen-bonded Turntrans-62.4144.5175.300000111.1W87 Q88 P198 L199W87-A117 PolarHBondContact O-N 3.26Å; Q88-A117 HydrophobicContact CG-CB 4.03Å; A117-P198 HydrophobicContact CB-CB 4.11Å; A117-L199 HydrophobicContact CB-CD2 3.61Å; A117-L199 HydrophobicContact CB-CG 4.22Å
118P96.4Very high97.7Very high112 Ų11227.2 Ų27.273%0.72715%0.151SC*.THydrogen-bonded Turncis-88.70.27.135.9-37000114.9P198P118-P198 HydrophobicContact CB-CB 4.45Å
119K93.6Very high97.8Very high127 Ų12726.7 Ų26.755%0.55215%0.148SC*.THydrogen-bonded Turntrans-70.1-43177.1-175.6-175.8177.9-171.10110.7D60 D115 I116D60-K119 IonicContact OD2-NZ 3.59Å; D60-K119 PolarHBondContact OD2-NZ 3.16Å; D115-K119 IonicContact OD1-NZ 2.79Å; I116-K119 PolarHBondContact O-N 2.79Å
120G94.1Very high97.9Very high6 Ų629.1 Ų29.16%0.06216%0.157CC..SBendtrans-89.2163.9173.100000113.4I116I116-G120 PolarHBondContact O-N 2.8Å
121N97.2Very high97.9Very high76 Ų7632.8 Ų32.841%0.40617%0.171SC..  trans-131.2166.716767.962.7000109.7D123 L124 M125N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 PolarHBondContact OD1-N 2.99Å; N121-L124 PolarHBondContact O-N 2.77Å; N121-L124 VanDerWaalsContact O-N 3.15Å; N121-L124 PolarHBondContact OD1-N 3.37Å; N121-M125 WeakPolarHBondContact O-CE 3.33Å; N121-M125 WeakPolarHBondContact O-CG 3.34Å; N121-M125 PolarHBondContact O-N 3.05Å
122M98.6Very high97.9Very high1 Ų132.8 Ų32.81%0.00517%0.171CC..Hα-helixtrans-54.8-46.3-171.6-171.356.96700113.7W87 M125 V126 H156 L187 M201 V205 N209W87-M122 HydrophobicContact CD2-CE 3.64Å; W87-M122 HydrophobicContact CE3-CE 3.84Å; W87-M122 HydrophobicContact CG-CE 4.16Å; W87-M122 HydrophobicContact CH2-CE 4.11Å; W87-M122 HydrophobicContact CZ2-CE 3.89Å; W87-M122 HydrophobicContact CZ3-CE 4.08Å; M122-M125 PolarHBondContact O-N 3.32Å; M122-V126 WeakPolarHBondContact O-CG2 3.48Å; M122-V126 PolarHBondContact O-N 3.25Å; M122-V126 HydrophobicContact SD-CG2 4.44Å; M122-H156 PolarHBondContact SD-CE1 3.39Å; M122-L187 HydrophobicContact CE-CD1 3.94Å; M122-L187 HydrophobicContact CG-CD1 4.35Å; M122-L187 HydrophobicContact SD-CD1 4.25Å; M122-M201 HydrophobicContact CB-CG 4.29Å; M122-M201 HydrophobicContact CB-SD 4Å; M122-M201 HydrophobicContact CE-CE 4.37Å; M122-M201 HydrophobicContact CE-SD 3.53Å; M122-M201 VanDerWaalsContact CE-SD 3.53Å; M122-M201 HydrophobicContact CG-SD 4.09Å; M122-V205 HydrophobicContact CB-CG1 3.79Å; M122-V205 HydrophobicContact CG-CG1 4.35Å; M122-N209 HydrophobicContact CG-CB 3.52Å; M122-N209 VanDerWaalsContact CG-CG 3.46Å; M122-N209 WeakPolarHBondContact CG-ND2 3.33Å; M122-N209 HydrophobicContact SD-CB 4.35Å
123D98.5Very high97.9Very high54 Ų5432.8 Ų32.829%0.28917%0.171SC..Hα-helixtrans-69.2-37.9-178.8-55.3-49.6000112N121 V126 S127 R208 N209N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 PolarHBondContact OD1-N 2.99Å; D123-V126 PolarHBondContact O-N 3.48Å; D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.49Å; D123-S127 PolarHBondContact O-N 2.78Å; D123-R208 IonicContact OD1-CZ 3.25Å; D123-R208 IonicContact OD1-NE 3.49Å; D123-R208 PolarHBondContact OD1-NE 2.84Å; D123-R208 IonicContact OD1-NH2 2.57Å; D123-R208 PolarHBondContact OD1-NH2 2.98Å; D123-R208 IonicContact OD2-CZ 3.53Å; D123-R208 VanDerWaalsContact OD2-CZ 3.25Å; D123-R208 IonicContact OD2-NE 3.46Å; D123-R208 PolarHBondContact OD2-NE 2.64Å; D123-R208 IonicContact OD2-NH2 2.78Å; D123-R208 PolarHBondContact OD2-NH2 2.9Å; D123-N209 PolarHBondContact OD1-ND2 2.89Å
124L97.9Very high97.8Very high54 Ų5433.3 Ų33.328%0.28317%0.173SC..Hα-helixtrans-62-46.6176.4177.359.3000110.3N121 S127 Q128N121-L124 PolarHBondContact O-N 2.77Å; N121-L124 VanDerWaalsContact O-N 3.15Å; N121-L124 PolarHBondContact OD1-N 3.37Å; L124-S127 WeakPolarHBondContact O-CB 3.34Å; L124-S127 PolarHBondContact O-N 3.01Å; L124-Q128 HydrophobicContact CD1-CG 4.09Å; L124-Q128 HydrophobicContact CG-CG 4.37Å; L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 VanDerWaalsContact O-CG 3.31Å; L124-Q128 WeakPolarHBondContact O-CG 3.31Å; L124-Q128 PolarHBondContact O-N 2.89Å
125M98.6Very high97.8Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-62.1-45179.4-69.9-174.7-85.200111.9W87 Y114 D115 N121 M122 S127 Q128 V129 L157 L199W87-M125 HydrophobicContact CB-CE 3.7Å; W87-M125 HydrophobicContact CB-SD 3.63Å; W87-M125 HydrophobicContact CG-CE 4.29Å; W87-M125 HydrophobicContact CG-SD 4.29Å; Y114-M125 HydrophobicContact CD2-CB 4.36Å; Y114-M125 HydrophobicContact CD2-CG 4.11Å; Y114-M125 HydrophobicContact CD2-SD 4.14Å; Y114-M125 HydrophobicContact CE2-SD 4.24Å; D115-M125 WeakPolarHBondContact O-CG 3.09Å; N121-M125 WeakPolarHBondContact O-CE 3.33Å; N121-M125 WeakPolarHBondContact O-CG 3.34Å; N121-M125 PolarHBondContact O-N 3.05Å; M122-M125 PolarHBondContact O-N 3.32Å; M125-S127 VanDerWaalsContact C-N 3.32Å; M125-S127 PolarHBondContact O-N 2.84Å; M125-Q128 PolarHBondContact O-N 2.85Å; M125-V129 PolarHBondContact O-N 2.77Å; M125-L157 HydrophobicContact CB-CD2 4.39Å; M125-L199 HydrophobicContact CE-CD2 3.8Å
126V98.8Very high97.7Very high2 Ų232.3 Ų32.31%0.01217%0.169CC..Hα-helixtrans-61-41.5174169.10000111.4M122 D123 V129 R130 L157 M160 N209M122-V126 WeakPolarHBondContact O-CG2 3.48Å; M122-V126 PolarHBondContact O-N 3.25Å; M122-V126 HydrophobicContact SD-CG2 4.44Å; D123-V126 PolarHBondContact O-N 3.48Å; V126-V129 VanDerWaalsContact O-CG2 3.26Å; V126-V129 WeakPolarHBondContact O-CG2 3.42Å; V126-R130 VanDerWaalsContact CG1-CZ 3.43Å; V126-R130 VanDerWaalsContact O-CG 3.3Å; V126-R130 WeakPolarHBondContact O-CG 3.49Å; V126-R130 PolarHBondContact O-N 2.72Å; V126-L157 HydrophobicContact CG2-CD2 3.73Å; V126-M160 HydrophobicContact CG1-CB 4.04Å; V126-M160 HydrophobicContact CG1-CE 3.92Å; V126-M160 HydrophobicContact CG1-CG 4.49Å; V126-M160 HydrophobicContact CG2-CB 4.24Å; V126-M160 HydrophobicContact CG2-CE 4.25Å; V126-M160 HydrophobicContact CG2-CG 4Å; V126-N209 WeakPolarHBondContact CG2-OD1 3.37Å
127S98.3Very high97.5Very high32 Ų3231.6 Ų31.622%0.22417%0.167CC..Hα-helixtrans-65.8-40.6176.9-168.40000112.2D123 L124 M125 R130 R131D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.49Å; D123-S127 PolarHBondContact O-N 2.78Å; L124-S127 WeakPolarHBondContact O-CB 3.34Å; L124-S127 PolarHBondContact O-N 3.01Å; M125-S127 VanDerWaalsContact C-N 3.32Å; M125-S127 PolarHBondContact O-N 2.84Å; S127-R130 PolarHBondContact O-N 3.4Å; S127-R131 WeakPolarHBondContact O-CG 3.24Å; S127-R131 PolarHBondContact O-N 2.95Å; S127-R131 PolarHBondContact OG-NH1 2.95Å
128Q98.7Very high97.4Very high2 Ų237.3 Ų37.31%0.00919%0.192CC..Hα-helixtrans-62.8-49.3177.9-81.4179.2-26.300111.8Y56 E62 D115 L124 M125 R130 R131 S132Y56-Q128 HydrophobicContact CE2-CB 4.38Å; Y56-Q128 WeakPolarHBondContact CE2-O 3.45Å; E62-Q128 HydrophobicContact CG-CG 3.89Å; D115-Q128 PolarHBondContact OD2-NE2 3.12Å; L124-Q128 HydrophobicContact CD1-CG 4.09Å; L124-Q128 HydrophobicContact CG-CG 4.37Å; L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 VanDerWaalsContact O-CG 3.31Å; L124-Q128 WeakPolarHBondContact O-CG 3.31Å; L124-Q128 PolarHBondContact O-N 2.89Å; M125-Q128 PolarHBondContact O-N 2.85Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.38Å; Q128-R131 PolarHBondContact O-N 2.86Å; Q128-R131 VanDerWaalsContact O-N 3.14Å; Q128-S132 PolarHBondContact O-N 2.84Å
129V98.8Very high97.1Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-64.9-32.5177.9-62.60000112.3I82 V112 Y114 M125 V126 S132 V133 L157 V161I82-V129 HydrophobicContact CD1-CB 4.43Å; I82-V129 HydrophobicContact CD1-CG1 4.49Å; I82-V129 HydrophobicContact CG2-CG1 4.21Å; V112-V129 HydrophobicContact CG1-CG1 4.36Å; Y114-V129 HydrophobicContact CD1-CG1 3.93Å; Y114-V129 HydrophobicContact CG-CG1 4.25Å; M125-V129 PolarHBondContact O-N 2.77Å; V126-V129 VanDerWaalsContact O-CG2 3.26Å; V126-V129 WeakPolarHBondContact O-CG2 3.42Å; V129-S132 WeakPolarHBondContact O-CB 3.45Å; V129-S132 PolarHBondContact O-N 2.87Å; V129-S132 PolarHBondContact O-OG 2.81Å; V129-V133 PolarHBondContact O-N 2.78Å; V129-L157 HydrophobicContact CG1-CB 4.34Å; V129-L157 HydrophobicContact CG1-CD1 4Å; V129-L157 HydrophobicContact CG2-CB 4.2Å; V129-L157 HydrophobicContact CG2-CD2 4.16Å; V129-V161 HydrophobicContact CB-CG2 4.18Å; V129-V161 HydrophobicContact CG2-CG2 3.74Å
130R98.7Very high96.8Very high50 Ų5033 Ų3319%0.18916%0.162CC..Hα-helixtrans-64.1-45.9171.6-72.2170.6175.9157.62.3111.7V126 S127 Q128 S132 V133 V134 M160 T164 W166 Y169V126-R130 VanDerWaalsContact CG1-CZ 3.43Å; V126-R130 VanDerWaalsContact O-CG 3.3Å; V126-R130 WeakPolarHBondContact O-CG 3.49Å; V126-R130 PolarHBondContact O-N 2.72Å; S127-R130 PolarHBondContact O-N 3.4Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.38Å; R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 3.37Å; R130-V133 PolarHBondContact O-N 2.88Å; R130-V133 VanDerWaalsContact O-N 3.17Å; R130-V134 WeakPolarHBondContact O-CG2 3.14Å; R130-V134 PolarHBondContact O-N 2.72Å; R130-V134 VanDerWaalsContact O-N 3.15Å; R130-M160 PolarHBondContact NH2-O 3.47Å; R130-T164 HydrophobicContact CG-CG2 4.1Å; R130-T164 PolarHBondContact NE-OG1 3.49Å; R130-W166 HydrophobicContact CB-CH2 4.46Å; R130-W166 HydrophobicContact CB-CZ3 4.48Å; R130-W166 HydrophobicContact CG-CH2 4.47Å; R130-Y169 HydrophobicContact CB-CE1 4.22Å; R130-Y169 HydrophobicContact CB-CE2 4.44Å; R130-Y169 VanDerWaalsContact CD-OH 3.22Å; R130-Y169 WeakPolarHBondContact CD-OH 3.28Å
131R98.5Very high96Very high78 Ų7837.3 Ų37.329%0.29419%0.191SC..Hα-helixtrans-61.1-34.9175.1-74-165.9-66.2-978.6112.4Y56 E62 S127 Q128 V133 V134 S135Y56-R131 HydrophobicContact CD2-CB 4.04Å; Y56-R131 HydrophobicContact CE2-CB 4.21Å; E62-R131 IonicContact OE1-CZ 3.14Å; E62-R131 IonicContact OE1-NE 2.77Å; E62-R131 PolarHBondContact OE1-NE 3.25Å; E62-R131 IonicContact OE1-NH2 3.35Å; E62-R131 PolarHBondContact OE1-NH2 3.16Å; E62-R131 IonicContact OE2-NH2 3.53Å; S127-R131 WeakPolarHBondContact O-CG 3.24Å; S127-R131 PolarHBondContact O-N 2.95Å; S127-R131 PolarHBondContact OG-NH1 2.95Å; Q128-R131 PolarHBondContact O-N 2.86Å; Q128-R131 VanDerWaalsContact O-N 3.14Å; R131-V133 VanDerWaalsContact C-N 3.31Å; R131-V133 PolarHBondContact O-N 3.31Å; R131-V134 WeakPolarHBondContact O-CB 3.23Å; R131-V134 PolarHBondContact O-N 3.05Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.76Å
132S98.7Very high95.3Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-59.4-41.8174.983.90000111.9Q128 V129 R130 S135 V136Q128-S132 PolarHBondContact O-N 2.84Å; V129-S132 WeakPolarHBondContact O-CB 3.45Å; V129-S132 PolarHBondContact O-N 2.87Å; V129-S132 PolarHBondContact O-OG 2.81Å; R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 3.37Å; S132-S135 PolarHBondContact O-N 2.88Å; S132-V136 WeakPolarHBondContact O-CG2 3.29Å; S132-V136 PolarHBondContact O-N 2.93Å
133V98.4Very high94.7Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-66.7-41.9176.3175.50000111.3I80 V129 R130 R131 S135 V136 V137 L146 V161 W166 P173I80-V133 HydrophobicContact CD1-CG2 3.86Å; V129-V133 PolarHBondContact O-N 2.78Å; R130-V133 PolarHBondContact O-N 2.88Å; R130-V133 VanDerWaalsContact O-N 3.17Å; R131-V133 VanDerWaalsContact C-N 3.31Å; R131-V133 PolarHBondContact O-N 3.31Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 2.76Å; V133-V136 PolarHBondContact O-N 2.89Å; V133-V137 HydrophobicContact CG1-CG2 4.36Å; V133-V137 WeakPolarHBondContact O-CG2 3.5Å; V133-V137 PolarHBondContact O-N 2.91Å; V133-L146 HydrophobicContact CG1-CD2 3.97Å; V133-V161 HydrophobicContact CG2-CG1 3.81Å; V133-V161 HydrophobicContact CG2-CG2 4.48Å; V133-W166 HydrophobicContact CB-CH2 3.61Å; V133-W166 HydrophobicContact CB-CZ2 4.43Å; V133-W166 HydrophobicContact CB-CZ3 4.11Å; V133-W166 HydrophobicContact CG1-CH2 3.57Å; V133-W166 HydrophobicContact CG1-CZ2 4.02Å; V133-W166 HydrophobicContact CG1-CZ3 4.03Å; V133-W166 HydrophobicContact CG2-CH2 4.1Å; V133-P173 HydrophobicContact CG1-CB 3.93Å; V133-P173 HydrophobicContact CG1-CG 4.2Å
134V98Very high94.3Very high17 Ų1739.3 Ų39.310%0.10320%0.201CC..Hα-helixtrans-57-49.9175.2176.30000110.4R130 R131 V136 V137 Q138 W166 Y169 V171R130-V134 WeakPolarHBondContact O-CG2 3.14Å; R130-V134 PolarHBondContact O-N 2.72Å; R130-V134 VanDerWaalsContact O-N 3.15Å; R131-V134 WeakPolarHBondContact O-CB 3.23Å; R131-V134 PolarHBondContact O-N 3.05Å; V134-V136 PolarHBondContact O-N 2.84Å; V134-V137 PolarHBondContact O-N 2.98Å; V134-Q138 HydrophobicContact CG1-CG 4.42Å; V134-Q138 WeakPolarHBondContact O-CB 3.46Å; V134-Q138 VanDerWaalsContact O-CG 3.28Å; V134-Q138 WeakPolarHBondContact O-CG 3.4Å; V134-Q138 PolarHBondContact O-N 3.03Å; V134-W166 HydrophobicContact CG2-CZ3 4.11Å; V134-Y169 HydrophobicContact CG2-CD1 3.69Å; V134-Y169 HydrophobicContact CG2-CG 3.93Å; V134-V171 HydrophobicContact CG1-CG1 4.08Å; V134-V171 HydrophobicContact CG2-CG2 3.92Å
135S97.5Very high94.1Very high8 Ų836.7 Ų36.76%0.05619%0.187CC..Hα-helixtrans-59.2-47.1177.9160.70000111.8Y56 R131 S132 V133 V137 Q138 Q139Y56-S135 VanDerWaalsContact CB-CB 3.42Å; Y56-S135 VanDerWaalsContact CB-OG 3.32Å; Y56-S135 WeakPolarHBondContact CB-OG 3.39Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.76Å; S132-S135 PolarHBondContact O-N 2.88Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 2.76Å; S135-V137 PolarHBondContact O-N 3.37Å; S135-Q138 PolarHBondContact O-N 3.27Å; S135-Q139 VanDerWaalsContact O-CB 3.28Å; S135-Q139 WeakPolarHBondContact O-CB 3.46Å; S135-Q139 VanDerWaalsContact O-CG 3.24Å; S135-Q139 WeakPolarHBondContact O-CG 3.19Å; S135-Q139 PolarHBondContact O-N 3.04Å; S135-Q139 PolarHBondContact OG-NE2 2.99Å
136V96.4Very high94.1Very high0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-59.4-47.5177.8166.80000111.3L64 L78 I80 V110 S132 V133 V134 Q138 Q139 Y140 I143L64-V136 HydrophobicContact CD1-CG2 3.77Å; L78-V136 HydrophobicContact CD1-CG1 3.84Å; L78-V136 HydrophobicContact CD2-CG1 3.88Å; I80-V136 HydrophobicContact CD1-CB 4.23Å; I80-V136 HydrophobicContact CD1-CG1 4.2Å; I80-V136 HydrophobicContact CD1-CG2 4.08Å; V110-V136 HydrophobicContact CG1-CG2 4.09Å; V110-V136 HydrophobicContact CG2-CG2 4.45Å; S132-V136 WeakPolarHBondContact O-CG2 3.29Å; S132-V136 PolarHBondContact O-N 2.93Å; V133-V136 PolarHBondContact O-N 2.89Å; V134-V136 PolarHBondContact O-N 2.84Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 2.86Å; V136-Q139 PolarHBondContact O-N 2.81Å; V136-Y140 HydrophobicContact CB-CD2 4.45Å; V136-Y140 HydrophobicContact CG1-CD2 4.08Å; V136-Y140 WeakPolarHBondContact O-CB 3.41Å; V136-Y140 VanDerWaalsContact O-CD2 3.27Å; V136-Y140 WeakPolarHBondContact O-CD2 3.46Å; V136-Y140 PolarHBondContact O-N 3.35Å; V136-I143 HydrophobicContact CG1-CD1 3.84Å
137V94.8Very high94.1Very high38 Ų3837.1 Ų37.123%0.2319%0.189CC..Hα-helixtrans-65.6-34.8-179.5171.80000112.3V133 V134 S135 L146 P173V133-V137 HydrophobicContact CG1-CG2 4.36Å; V133-V137 WeakPolarHBondContact O-CG2 3.5Å; V133-V137 PolarHBondContact O-N 2.91Å; V134-V137 PolarHBondContact O-N 2.98Å; S135-V137 PolarHBondContact O-N 3.37Å; V137-L146 HydrophobicContact CG2-CD2 4.4Å; V137-P173 HydrophobicContact CG2-CB 3.83Å
138Q93.8Very high94.1Very high127 Ų12735.6 Ų35.659%0.59318%0.178SC*.Hα-helixtrans-77.7-36.4179.4-72.5175.4-15.600112.8V134 S135 V136 V171V134-Q138 HydrophobicContact CG1-CG 4.42Å; V134-Q138 WeakPolarHBondContact O-CB 3.46Å; V134-Q138 VanDerWaalsContact O-CG 3.28Å; V134-Q138 WeakPolarHBondContact O-CG 3.4Å; V134-Q138 PolarHBondContact O-N 3.03Å; S135-Q138 PolarHBondContact O-N 3.27Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 2.86Å; Q138-V171 HydrophobicContact CG-CG1 4.19Å
139Q90.6Very high94.1Very high92 Ų9235.6 Ų35.643%0.4318%0.178SC..Hα-helixtrans-80.4-30.1-178.2-69.6177.724.200112.6S135 V136S135-Q139 VanDerWaalsContact O-CB 3.28Å; S135-Q139 WeakPolarHBondContact O-CB 3.46Å; S135-Q139 VanDerWaalsContact O-CG 3.24Å; S135-Q139 WeakPolarHBondContact O-CG 3.19Å; S135-Q139 PolarHBondContact O-N 3.04Å; S135-Q139 PolarHBondContact OG-NE2 2.99Å; V136-Q139 PolarHBondContact O-N 2.81Å
140Y86.9Confident94.1Very high57 Ų5735.6 Ų35.622%0.22418%0.178CC..  trans-117.188-175.6-56-72.9000110.9L78 V136 H142 I143L78-Y140 HydrophobicContact CD1-CD2 4.38Å; V136-Y140 HydrophobicContact CB-CD2 4.45Å; V136-Y140 HydrophobicContact CG1-CD2 4.08Å; V136-Y140 WeakPolarHBondContact O-CB 3.41Å; V136-Y140 VanDerWaalsContact O-CD2 3.27Å; V136-Y140 WeakPolarHBondContact O-CD2 3.46Å; V136-Y140 PolarHBondContact O-N 3.35Å; Y140-H142 VanDerWaalsContact C-N 3.26Å; Y140-H142 PolarHBondContact O-N 2.87Å; Y140-I143 WeakPolarHBondContact O-CD1 3.39Å; Y140-I143 WeakPolarHBondContact O-CG1 3.28Å
141S77.4Confident94.1Very high96 Ų9633.4 Ų33.467%0.67117%0.17SC*.THydrogen-bonded Turntrans-72.1-11.4-174.154.50000115.5
142H82.8Confident94.1Very high105 Ų10529.9 Ų29.949%0.48616%0.158SC..THydrogen-bonded Turntrans-112.432.5-176.4-56.6-79.5000113.6L74 V76 Y140 S144L74-H142 WeakPolarHBondContact O-CB 3.24Å; V76-H142 PolarHBondContact N-O 3.04Å; Y140-H142 VanDerWaalsContact C-N 3.26Å; Y140-H142 PolarHBondContact O-N 2.87Å; H142-S144 PolarHBondContact O-N 3.32Å
143I87Confident94.1Very high30 Ų3029.9 Ų29.915%0.15416%0.158CC..EExtended strand (participates in β ladder)trans-73.3106.8172.6-62.9163.6000109.1L78 V136 Y140 G145 L146L78-I143 HydrophobicContact CB-CG1 4.39Å; L78-I143 HydrophobicContact CB-CG2 4.28Å; L78-I143 HydrophobicContact CD1-CD1 4.19Å; L78-I143 HydrophobicContact CD1-CG1 4.3Å; V136-I143 HydrophobicContact CG1-CD1 3.84Å; Y140-I143 WeakPolarHBondContact O-CD1 3.39Å; Y140-I143 WeakPolarHBondContact O-CG1 3.28Å; I143-G145 WeakPolarHBondContact CG2-O 3.36Å; I143-G145 PolarHBondContact O-N 2.83Å; I143-L146 HydrophobicContact CG2-CB 4.25Å
144S89.8Confident94.1Very high37 Ų3729.9 Ų29.926%0.25916%0.158SC..EExtended strand (participates in β ladder)trans-68.8-25.3173.667.50000112.6V76 N77 H142 N174 K176V76-S144 PolarHBondContact O-N 3.24Å; V76-S144 PolarHBondContact O-OG 2.85Å; N77-S144 PolarHBondContact N-OG 2.84Å; N77-S144 PolarHBondContact OD1-OG 2.96Å; H142-S144 PolarHBondContact O-N 3.32Å; S144-N174 PolarHBondContact O-ND2 2.91Å; S144-K176 WeakPolarHBondContact O-CE 3.46Å; S144-K176 PolarHBondContact O-NZ 3.11Å
145G94.4Very high94.2Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-168.6132.1177.300000111.4L78 I143 Y147L78-G145 PolarHBondContact N-O 2.82Å; I143-G145 WeakPolarHBondContact CG2-O 3.36Å; I143-G145 PolarHBondContact O-N 2.83Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å
146L97.4Very high94.3Very high1 Ų128.7 Ų28.71%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-98.1134.1173.7-179.260.4000109.6L78 I80 V133 V137 I143 P173 N174 I175 K176L78-L146 HydrophobicContact CB-CD1 4.45Å; L78-L146 HydrophobicContact CD2-CD1 3.43Å; L78-L146 VanDerWaalsContact CD2-CD1 3.43Å; L78-L146 CarbonylContact O-C 3.55Å; I80-L146 HydrophobicContact CD1-CD1 3.79Å; I80-L146 HydrophobicContact CD1-CD2 4.35Å; I80-L146 HydrophobicContact CG1-CD1 3.92Å; V133-L146 HydrophobicContact CG1-CD2 3.97Å; V137-L146 HydrophobicContact CG2-CD2 4.4Å; I143-L146 HydrophobicContact CG2-CB 4.25Å; L146-P173 HydrophobicContact CD2-CB 4.01Å; L146-N174 WeakPolarHBondContact CB-O 3.48Å; L146-N174 PolarHBondContact N-O 3.17Å; L146-I175 HydrophobicContact CD2-CG1 4.03Å; L146-I175 HydrophobicContact CG-CG1 4.44Å; L146-I175 CarbonylContact O-C 2.93Å; L146-I175 VanDerWaalsContact O-CA 3.32Å; L146-I175 WeakPolarHBondContact O-CA 3.4Å; L146-K176 PolarHBondContact O-N 3.18Å
147Y98.6Very high94.4Very high10 Ų1028.7 Ų28.74%0.03915%0.15CC..EExtended strand (participates in β ladder)trans-127147177.2-57.7-98.5000109.4N77 L78 V79 I80 G145 K176 G177 M288 M289N77-Y147 HydrophobicContact CB-CE2 4.07Å; N77-Y147 WeakPolarHBondContact OD1-CE2 3.43Å; N77-Y147 PolarHBondContact OD1-OH 3.37Å; L78-Y147 PolarHBondContact O-N 2.93Å; V79-Y147 CarbonylContact C-O 3.51Å; V79-Y147 WeakPolarHBondContact CA-O 3.38Å; I80-Y147 PolarHBondContact N-O 2.93Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å; Y147-K176 HydrophobicContact CD1-CB 4.43Å; Y147-K176 HydrophobicContact CE1-CB 3.74Å; Y147-K176 HydrophobicContact CE2-CB 4.42Å; Y147-G177 CarbonylContact C-O 3.54Å; Y147-G177 VanDerWaalsContact CA-O 3.24Å; Y147-G177 WeakPolarHBondContact CA-O 3.31Å; Y147-M288 HydrophobicContact CD1-CG 4.4Å; Y147-M288 HydrophobicContact CD1-SD 4.17Å; Y147-M288 HydrophobicContact CE1-CG 4.06Å; Y147-M288 HydrophobicContact CE1-SD 4.37Å; Y147-M289 HydrophobicContact CD1-CG 3.93Å; Y147-M289 HydrophobicContact CD2-CG 3.75Å; Y147-M289 HydrophobicContact CD2-SD 3.9Å; Y147-M289 HydrophobicContact CE1-CG 3.75Å; Y147-M289 HydrophobicContact CE2-CB 4.33Å; Y147-M289 HydrophobicContact CE2-CG 3.58Å; Y147-M289 HydrophobicContact CE2-SD 4.18Å; Y147-M289 HydrophobicContact CG-CG 3.95Å; Y147-M289 HydrophobicContact CG-SD 4.23Å
148L98.8Very high94.6Very high0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-110.1141.2175.2-55.9178.2000109.6I80 A158 V161 L162 I175 G177 A178 F179I80-L148 HydrophobicContact CB-CD2 3.93Å; I80-L148 HydrophobicContact CD1-CD2 4.46Å; I80-L148 HydrophobicContact CG2-CD2 4.29Å; I80-L148 CarbonylContact O-C 3.57Å; I80-L148 WeakPolarHBondContact O-CA 3.24Å; L148-A158 HydrophobicContact CB-CB 4.38Å; L148-A158 HydrophobicContact CD1-CB 4.47Å; L148-V161 HydrophobicContact CD1-CB 4.1Å; L148-V161 HydrophobicContact CD1-CG1 3.6Å; L148-V161 HydrophobicContact CD2-CG1 4.35Å; L148-L162 HydrophobicContact CD1-CD2 3.8Å; L148-L162 HydrophobicContact CD1-CG 3.94Å; L148-I175 HydrophobicContact CD1-CD1 4.46Å; L148-I175 HydrophobicContact CD1-CG2 4.36Å; L148-I175 HydrophobicContact CG-CG2 4.26Å; L148-G177 PolarHBondContact N-O 3.47Å; L148-A178 HydrophobicContact CB-CB 4.13Å; L148-A178 CarbonylContact O-C 3.56Å; L148-A178 VanDerWaalsContact O-CA 3.29Å; L148-A178 WeakPolarHBondContact O-CA 3.07Å; L148-F179 PolarHBondContact O-N 2.94Å
149C98.9Very high94.8Very high1 Ų120.9 Ų20.91%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-132.7119.4165.2-175.20000107.9V79 I80 Y81 I82 M98 F179V79-C149 HydrophobicContact CG1-CB 4.08Å; I80-C149 PolarHBondContact O-N 2.76Å; Y81-C149 CarbonylContact C-O 3.51Å; Y81-C149 VanDerWaalsContact CA-O 3.25Å; Y81-C149 WeakPolarHBondContact CA-O 3.37Å; Y81-C149 HydrophobicContact CD2-CB 4.05Å; Y81-C149 WeakPolarHBondContact CD2-O 3.38Å; I82-C149 PolarHBondContact N-O 3.22Å; M98-C149 HydrophobicContact CE-CB 4Å; M98-C149 HydrophobicContact SD-CB 4.34Å; C149-F179 WeakPolarHBondContact CA-O 3.16Å; C149-F179 HydrophobicContact CB-CB 4.36Å
150G98.8Very high95.2Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-124.9142.8177.200000110.1I82 A155 F179 V181I82-G150 WeakPolarHBondContact O-CA 3.48Å; G150-A155 WeakPolarHBondContact O-CB 3.36Å; G150-F179 PolarHBondContact N-O 3.21Å; G150-V181 WeakPolarHBondContact O-CB 3.49Å; G150-V181 PolarHBondContact O-N 3.49Å
151H98.9Very high95.8Very high4 Ų413.9 Ų13.92%0.0198%0.08CC..EExtended strand (participates in β ladder)trans-117.4131.2175172.6-117.2000110.8I82 G84 A153 G154 A155 V181 H267 I271I82-H151 PolarHBondContact O-N 3.08Å; G84-H151 WeakPolarHBondContact CA-O 3.49Å; G84-H151 PolarHBondContact N-O 2.83Å; H151-A153 PolarHBondContact O-N 2.91Å; H151-G154 WeakPolarHBondContact O-CA 3.32Å; H151-G154 PolarHBondContact O-N 2.92Å; H151-A155 PolarHBondContact O-N 2.93Å; H151-V181 CarbonylContact C-O 3.53Å; H151-V181 WeakPolarHBondContact CA-O 3.31Å; H151-H267 AromaticContact CE1-CD2 3.94Å; H151-H267 PolarHBondContact CE1-O 2.91Å; H151-H267 AromaticContact NE2-CD2 3.74Å; H151-H267 AromaticContact NE2-NE2 3.8Å; H151-H267 PolarHBondContact NE2-O 3.27Å; H151-I271 HydrophobicContact CB-CB 4.47Å; H151-I271 HydrophobicContact CB-CD1 4.05Å; H151-I271 HydrophobicContact CB-CG1 4.03Å
152S98.7Very high96.8Very high5 Ų59.3 Ų9.34%0.0355%0.048CC..THydrogen-bonded Turntrans57.3-121.6175.1-166.20000112.2G154 A155 H156 V181 S182 H267S152-G154 PolarHBondContact O-N 3.27Å; S152-A155 WeakPolarHBondContact O-CB 3.09Å; S152-A155 PolarHBondContact O-N 3.33Å; S152-H156 PolarHBondContact O-N 3.5Å; S152-H156 VanDerWaalsContact O-N 3.15Å; S152-V181 PolarHBondContact N-O 2.92Å; S152-S182 VanDerWaalsContact CA-O 3.24Å; S152-S182 WeakPolarHBondContact CA-O 3.22Å; S152-H267 VanDerWaalsContact CB-NE2 3.28Å; S152-H267 WeakPolarHBondContact CB-NE2 3.46Å; S152-H267 PolarHBondContact OG-NE2 3.26Å
153A98.8Very high97.5Very high0 Ų04.6 Ų4.60%03%0.027CC..Hα-helixtrans-53.8-28.2169.300000114W87 H151 H156 L157W87-A153 HydrophobicContact CD2-CB 3.75Å; W87-A153 HydrophobicContact CE3-CB 4.43Å; W87-A153 HydrophobicContact CG-CB 3.92Å; W87-A153 HydrophobicContact CZ2-CB 4.07Å; W87-A153 PolarHBondContact NE1-O 3.34Å; H151-A153 PolarHBondContact O-N 2.91Å; A153-H156 VanDerWaalsContact O-CB 3.3Å; A153-H156 WeakPolarHBondContact O-CB 3.47Å; A153-L157 WeakPolarHBondContact O-CG 3.34Å; A153-L157 PolarHBondContact O-N 3.24Å; A153-L157 VanDerWaalsContact O-N 3.11Å
154G98.9Very high98.1Very high0 Ų03.3 Ų3.30%02%0.021CC..Hα-helixtrans-75.5-30.7173.300000113.6I82 H83 H151 S152 H156 L157 A158I82-G154 WeakPolarHBondContact O-CA 3.39Å; H83-G154 WeakPolarHBondContact O-CA 3.45Å; H83-G154 PolarHBondContact O-N 3.03Å; H83-G154 VanDerWaalsContact O-N 3.08Å; H151-G154 WeakPolarHBondContact O-CA 3.32Å; H151-G154 PolarHBondContact O-N 2.92Å; S152-G154 PolarHBondContact O-N 3.27Å; G154-H156 VanDerWaalsContact C-N 3.32Å; G154-L157 PolarHBondContact O-N 3.29Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 3.46Å
155A98.9Very high98.4Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-68-3717200000110.9G150 H151 S152 A159 L180G150-A155 WeakPolarHBondContact O-CB 3.36Å; H151-A155 PolarHBondContact O-N 2.93Å; S152-A155 WeakPolarHBondContact O-CB 3.09Å; S152-A155 PolarHBondContact O-N 3.33Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 2.88Å; A155-L180 HydrophobicContact CB-CB 4.26Å
156H98.9Very high98.5Very high0 Ų05.8 Ų5.80%03%0.03CC..Hα-helixtrans-55.9-54.7167.8162.3-92.6000111.2W87 M122 S152 A153 G154 A158 A159 M160 I184 N209 P211W87-H156 AromaticContact CE2-ND1 3.67Å; W87-H156 HydrophobicContact CZ2-CB 3.94Å; W87-H156 AromaticContact CZ2-CG 3.59Å; W87-H156 AromaticContact CZ2-ND1 3.53Å; W87-H156 AromaticContact NE1-CE1 3.97Å; W87-H156 AromaticContact NE1-ND1 3.27Å; W87-H156 PolarHBondContact NE1-ND1 3.39Å; M122-H156 PolarHBondContact SD-CE1 3.39Å; S152-H156 PolarHBondContact O-N 3.5Å; S152-H156 VanDerWaalsContact O-N 3.15Å; A153-H156 VanDerWaalsContact O-CB 3.3Å; A153-H156 WeakPolarHBondContact O-CB 3.47Å; G154-H156 VanDerWaalsContact C-N 3.32Å; H156-A158 VanDerWaalsContact C-N 3.34Å; H156-A158 PolarHBondContact O-N 2.94Å; H156-A159 WeakPolarHBondContact O-CB 3.32Å; H156-A159 PolarHBondContact O-N 2.96Å; H156-A159 VanDerWaalsContact O-N 3.11Å; H156-M160 WeakPolarHBondContact O-CG 3.3Å; H156-M160 PolarHBondContact O-N 3.22Å; H156-I184 HydrophobicContact CB-CG2 3.9Å; H156-I184 VanDerWaalsContact CB-O 3.27Å; H156-I184 WeakPolarHBondContact CB-O 3.48Å; H156-N209 PolarHBondContact NE2-O 2.98Å; H156-P211 VanDerWaalsContact CD2-CD 3.47Å; H156-P211 WeakPolarHBondContact CD2-CD 3.15Å
157L98.9Very high98.5Very high0 Ų010 Ų100%06%0.06CC..Hα-helixtrans-62.2-39.3-179.3-71.3174.4000112.2I82 Y114 M125 V126 V129 A153 G154 A159 M160 V161I82-L157 HydrophobicContact CD1-CB 4.39Å; I82-L157 HydrophobicContact CG2-CB 3.9Å; I82-L157 HydrophobicContact CG2-CD1 3.86Å; Y114-L157 HydrophobicContact CD1-CD1 4.3Å; Y114-L157 HydrophobicContact CD2-CD1 4.24Å; Y114-L157 HydrophobicContact CE1-CD1 3.79Å; Y114-L157 HydrophobicContact CE2-CD1 3.74Å; Y114-L157 VanDerWaalsContact CZ-CD1 3.48Å; M125-L157 HydrophobicContact CB-CD2 4.39Å; V126-L157 HydrophobicContact CG2-CD2 3.73Å; V129-L157 HydrophobicContact CG1-CB 4.34Å; V129-L157 HydrophobicContact CG1-CD1 4Å; V129-L157 HydrophobicContact CG2-CB 4.2Å; V129-L157 HydrophobicContact CG2-CD2 4.16Å; A153-L157 WeakPolarHBondContact O-CG 3.34Å; A153-L157 PolarHBondContact O-N 3.24Å; A153-L157 VanDerWaalsContact O-N 3.11Å; G154-L157 PolarHBondContact O-N 3.29Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.89Å; L157-M160 WeakPolarHBondContact O-CB 3.06Å; L157-M160 PolarHBondContact O-N 2.94Å; L157-V161 WeakPolarHBondContact O-CG2 3.43Å; L157-V161 PolarHBondContact O-N 3.34Å
158A98.9Very high98.3Very high0 Ų016.7 Ų16.70%09%0.091CC..Hα-helixtrans-61.8-40.8173.800000111.9I82 L148 G154 H156 M160 V161 L162 L180I82-A158 HydrophobicContact CD1-CB 4.1Å; L148-A158 HydrophobicContact CB-CB 4.38Å; L148-A158 HydrophobicContact CD1-CB 4.47Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 3.46Å; H156-A158 VanDerWaalsContact C-N 3.34Å; H156-A158 PolarHBondContact O-N 2.94Å; A158-M160 VanDerWaalsContact C-N 3.33Å; A158-M160 PolarHBondContact O-N 3.45Å; A158-V161 WeakPolarHBondContact O-CB 3.49Å; A158-V161 PolarHBondContact O-N 3.18Å; A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 2.77Å; A158-L180 HydrophobicContact CB-CD2 3.72Å
159A98.9Very high98.2Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-66.7-34.217500000112.4A155 H156 L157 L162 S163 L180 Y185 P211 Y246A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 2.88Å; H156-A159 WeakPolarHBondContact O-CB 3.32Å; H156-A159 PolarHBondContact O-N 2.96Å; H156-A159 VanDerWaalsContact O-N 3.11Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.89Å; A159-L162 PolarHBondContact O-N 2.86Å; A159-S163 WeakPolarHBondContact O-CB 3.46Å; A159-S163 PolarHBondContact O-N 2.93Å; A159-S163 VanDerWaalsContact O-N 3.08Å; A159-S163 PolarHBondContact O-OG 3.25Å; A159-L180 HydrophobicContact CB-CD1 4.24Å; A159-Y185 HydrophobicContact CB-CD1 4.37Å; A159-Y185 HydrophobicContact CB-CE1 4.4Å; A159-P211 HydrophobicContact CB-CB 3.67Å; A159-P211 HydrophobicContact CB-CG 3.76Å; A159-Y246 HydrophobicContact CB-CE1 4.29Å
160M98.9Very high98.1Very high2 Ų222.9 Ų22.91%0.0114%0.137CC..Hα-helixtrans-65.8-37.2171.3-65.6-59.6-66.400112.3V126 R130 H156 L157 A158 S163 T164 N209 P211 L214V126-M160 HydrophobicContact CG1-CB 4.04Å; V126-M160 HydrophobicContact CG1-CE 3.92Å; V126-M160 HydrophobicContact CG1-CG 4.49Å; V126-M160 HydrophobicContact CG2-CB 4.24Å; V126-M160 HydrophobicContact CG2-CE 4.25Å; V126-M160 HydrophobicContact CG2-CG 4Å; R130-M160 PolarHBondContact NH2-O 3.47Å; H156-M160 WeakPolarHBondContact O-CG 3.3Å; H156-M160 PolarHBondContact O-N 3.22Å; L157-M160 WeakPolarHBondContact O-CB 3.06Å; L157-M160 PolarHBondContact O-N 2.94Å; A158-M160 VanDerWaalsContact C-N 3.33Å; A158-M160 PolarHBondContact O-N 3.45Å; M160-S163 PolarHBondContact O-N 3.26Å; M160-T164 PolarHBondContact O-OG1 2.84Å; M160-N209 HydrophobicContact CE-CB 4.37Å; M160-P211 HydrophobicContact CG-CG 4.22Å; M160-P211 HydrophobicContact SD-CG 3.92Å; M160-L214 HydrophobicContact CE-CD1 3.55Å; M160-L214 HydrophobicContact SD-CD1 3.61Å
161V98.8Very high97.9Very high0 Ų023.6 Ų23.60%014%0.141CC..Hα-helixtrans-62.4-49.3172.5167.80000110.4I82 V129 V133 L148 L157 A158 S163 T164 W166 I175I82-V161 HydrophobicContact CD1-CG2 4.47Å; V129-V161 HydrophobicContact CB-CG2 4.18Å; V129-V161 HydrophobicContact CG2-CG2 3.74Å; V133-V161 HydrophobicContact CG2-CG1 3.81Å; V133-V161 HydrophobicContact CG2-CG2 4.48Å; L148-V161 HydrophobicContact CD1-CB 4.1Å; L148-V161 HydrophobicContact CD1-CG1 3.6Å; L148-V161 HydrophobicContact CD2-CG1 4.35Å; L157-V161 WeakPolarHBondContact O-CG2 3.43Å; L157-V161 PolarHBondContact O-N 3.34Å; A158-V161 WeakPolarHBondContact O-CB 3.49Å; A158-V161 PolarHBondContact O-N 3.18Å; V161-S163 PolarHBondContact O-N 3.23Å; V161-T164 WeakPolarHBondContact CA-OG1 3.32Å; V161-T164 WeakPolarHBondContact O-CB 3.43Å; V161-T164 PolarHBondContact O-N 3.48Å; V161-T164 VanDerWaalsContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.83Å; V161-W166 HydrophobicContact CG1-CH2 4.04Å; V161-W166 HydrophobicContact CG1-CZ2 3.66Å; V161-W166 WeakPolarHBondContact O-CZ2 3.39Å; V161-I175 HydrophobicContact CG1-CD1 4.35Å
162L98.7Very high97.6Very high0 Ų029.5 Ų29.50%018%0.178CC..Hα-helixtrans-58.7-31.2176.7-67.5174.6000112.8L148 A158 A159 T164 I175 A178 L180 L218 S221 S222 I227L148-L162 HydrophobicContact CD1-CD2 3.8Å; L148-L162 HydrophobicContact CD1-CG 3.94Å; A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 2.77Å; A159-L162 PolarHBondContact O-N 2.86Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 2.9Å; L162-I175 HydrophobicContact CD2-CD1 4.38Å; L162-I175 HydrophobicContact CD2-CG2 3.78Å; L162-A178 HydrophobicContact CD1-CB 3.66Å; L162-A178 HydrophobicContact CD2-CB 4.16Å; L162-A178 HydrophobicContact CG-CB 4.35Å; L162-L180 HydrophobicContact CD1-CD2 4.45Å; L162-L218 HydrophobicContact CB-CD1 3.85Å; L162-L218 HydrophobicContact CB-CG 3.87Å; L162-L218 HydrophobicContact CD1-CD1 4.22Å; L162-S221 PolarHBondContact O-OG 2.69Å; L162-S222 PolarHBondContact O-OG 2.94Å; L162-I227 HydrophobicContact CD1-CD1 4.34Å; L162-I227 HydrophobicContact CD1-CG1 4.46Å
163S98.4Very high97.5Very high6 Ų630 Ų304%0.04218%0.18CC..THydrogen-bonded Turntrans-86.711.7-179.5-52.30000114.1A159 M160 V161 H217A159-S163 WeakPolarHBondContact O-CB 3.46Å; A159-S163 PolarHBondContact O-N 2.93Å; A159-S163 VanDerWaalsContact O-N 3.08Å; A159-S163 PolarHBondContact O-OG 3.25Å; M160-S163 PolarHBondContact O-N 3.26Å; V161-S163 PolarHBondContact O-N 3.23Å; S163-H217 WeakPolarHBondContact O-CB 3.45Å
164T98.4Very high97.3Very high3 Ų334 Ų342%0.01820%0.202CC..  trans-86132.8-173.6-56.20000112.2R130 M160 V161 L162 W166 Y169 S221R130-T164 HydrophobicContact CG-CG2 4.1Å; R130-T164 PolarHBondContact NE-OG1 3.49Å; M160-T164 PolarHBondContact O-OG1 2.84Å; V161-T164 WeakPolarHBondContact CA-OG1 3.32Å; V161-T164 WeakPolarHBondContact O-CB 3.43Å; V161-T164 PolarHBondContact O-N 3.48Å; V161-T164 VanDerWaalsContact O-N 3.09Å; V161-T164 PolarHBondContact O-OG1 2.83Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 2.9Å; T164-W166 HydrophobicContact CG2-CD2 3.95Å; T164-W166 HydrophobicContact CG2-CE3 3.95Å; T164-W166 HydrophobicContact CG2-CH2 4.22Å; T164-W166 HydrophobicContact CG2-CZ2 4.23Å; T164-W166 HydrophobicContact CG2-CZ3 4.09Å; T164-W166 PolarHBondContact O-N 2.93Å; T164-Y169 HydrophobicContact CG2-CD2 3.87Å; T164-Y169 HydrophobicContact CG2-CE2 3.52Å; T164-S221 WeakPolarHBondContact O-CB 3.31Å
165D96.8Very high97.2Very high73 Ų7334.6 Ų34.639%0.3921%0.205SC..  trans-75.190.5165.3179.48.6000110S167 Q168D165-S167 VanDerWaalsContact CG-OG 3.3Å; D165-S167 PolarHBondContact O-N 3.02Å; D165-S167 VanDerWaalsContact O-N 3.17Å; D165-S167 WeakPolarHBondContact OD1-CB 3.24Å; D165-S167 PolarHBondContact OD1-N 3.19Å; D165-S167 PolarHBondContact OD1-OG 3.49Å; D165-S167 PolarHBondContact OD2-OG 3.17Å; D165-Q168 HydrophobicContact CB-CG 4.26Å; D165-Q168 WeakPolarHBondContact O-CB 3.48Å; D165-Q168 PolarHBondContact O-N 3.38Å; D165-Q168 PolarHBondContact OD2-NE2 3.2Å
166W97Very high97.1Very high16 Ų1638.5 Ų38.56%0.06122%0.222CC..G310 helixtrans-64.9-16.9-176.3-65.2111.9000114.2R130 V133 V134 V161 T164 Q168 Y169 G170 V171 P173 I175R130-W166 HydrophobicContact CB-CH2 4.46Å; R130-W166 HydrophobicContact CB-CZ3 4.48Å; R130-W166 HydrophobicContact CG-CH2 4.47Å; V133-W166 HydrophobicContact CB-CH2 3.61Å; V133-W166 HydrophobicContact CB-CZ2 4.43Å; V133-W166 HydrophobicContact CB-CZ3 4.11Å; V133-W166 HydrophobicContact CG1-CH2 3.57Å; V133-W166 HydrophobicContact CG1-CZ2 4.02Å; V133-W166 HydrophobicContact CG1-CZ3 4.03Å; V133-W166 HydrophobicContact CG2-CH2 4.1Å; V134-W166 HydrophobicContact CG2-CZ3 4.11Å; V161-W166 HydrophobicContact CG1-CH2 4.04Å; V161-W166 HydrophobicContact CG1-CZ2 3.66Å; V161-W166 WeakPolarHBondContact O-CZ2 3.39Å; T164-W166 HydrophobicContact CG2-CD2 3.95Å; T164-W166 HydrophobicContact CG2-CE3 3.95Å; T164-W166 HydrophobicContact CG2-CH2 4.22Å; T164-W166 HydrophobicContact CG2-CZ2 4.23Å; T164-W166 HydrophobicContact CG2-CZ3 4.09Å; T164-W166 PolarHBondContact O-N 2.93Å; W166-Q168 PolarHBondContact O-N 3.27Å; W166-Y169 HydrophobicContact CE3-CD2 4.14Å; W166-Y169 HydrophobicContact CE3-CG 4.35Å; W166-Y169 HydrophobicContact CZ3-CD2 4.47Å; W166-Y169 CarbonylContact O-C 3.58Å; W166-Y169 PolarHBondContact O-N 2.82Å; W166-G170 PolarHBondContact O-N 3.07Å; W166-V171 CarbonylContact C-O 3.55Å; W166-V171 VanDerWaalsContact CB-O 3.32Å; W166-V171 WeakPolarHBondContact CB-O 3.37Å; W166-V171 HydrophobicContact CE3-CG2 3.92Å; W166-V171 PolarHBondContact O-N 3.03Å; W166-P173 HydrophobicContact CD2-CG 3.52Å; W166-P173 VanDerWaalsContact CE2-CG 3.4Å; W166-P173 HydrophobicContact CE3-CG 4.17Å; W166-P173 VanDerWaalsContact CG-CD 3.44Å; W166-P173 HydrophobicContact CG-CG 3.67Å; W166-P173 HydrophobicContact CZ2-CG 3.98Å; W166-I175 HydrophobicContact CZ2-CD1 4.25Å
167S95.6Very high97.1Very high91 Ų9138.5 Ų38.564%0.63622%0.222SC*.G310 helixtrans-61-31.5174.7740000112D165 Y169 G170D165-S167 VanDerWaalsContact CG-OG 3.3Å; D165-S167 PolarHBondContact O-N 3.02Å; D165-S167 VanDerWaalsContact O-N 3.17Å; D165-S167 WeakPolarHBondContact OD1-CB 3.24Å; D165-S167 PolarHBondContact OD1-N 3.19Å; D165-S167 PolarHBondContact OD1-OG 3.49Å; D165-S167 PolarHBondContact OD2-OG 3.17Å; S167-Y169 PolarHBondContact O-N 3.14Å; S167-G170 PolarHBondContact O-N 3.4Å
168Q96Very high97.1Very high149 Ų14938.5 Ų38.570%0.69622%0.222SC*.G310 helixtrans-68.1-20.6176.1-59179.17.700113D165 W166D165-Q168 HydrophobicContact CB-CG 4.26Å; D165-Q168 WeakPolarHBondContact O-CB 3.48Å; D165-Q168 PolarHBondContact O-N 3.38Å; D165-Q168 PolarHBondContact OD2-NE2 3.2Å; W166-Q168 PolarHBondContact O-N 3.27Å
169Y96.6Very high97.1Very high61 Ų6138.6 Ų38.624%0.23922%0.223CC..G310 helixtrans-101.7-0.7178.7-68-87.8000112.9R130 V134 T164 W166 S167 V171R130-Y169 HydrophobicContact CB-CE1 4.22Å; R130-Y169 HydrophobicContact CB-CE2 4.44Å; R130-Y169 VanDerWaalsContact CD-OH 3.22Å; R130-Y169 WeakPolarHBondContact CD-OH 3.28Å; V134-Y169 HydrophobicContact CG2-CD1 3.69Å; V134-Y169 HydrophobicContact CG2-CG 3.93Å; T164-Y169 HydrophobicContact CG2-CD2 3.87Å; T164-Y169 HydrophobicContact CG2-CE2 3.52Å; W166-Y169 HydrophobicContact CE3-CD2 4.14Å; W166-Y169 HydrophobicContact CE3-CG 4.35Å; W166-Y169 HydrophobicContact CZ3-CD2 4.47Å; W166-Y169 CarbonylContact O-C 3.58Å; W166-Y169 PolarHBondContact O-N 2.82Å; S167-Y169 PolarHBondContact O-N 3.14Å; Y169-V171 PolarHBondContact O-N 3.15Å
170G95.9Very high97.1Very high70 Ų7038.6 Ų38.672%0.72222%0.223SC*.THydrogen-bonded Turntrans65.421.8179.900000114.4W166 S167W166-G170 PolarHBondContact O-N 3.07Å; S167-G170 PolarHBondContact O-N 3.4Å
171V95.1Very high97.1Very high15 Ų1538.6 Ų38.69%0.09122%0.222CC..  trans-129.8165.8178.8-64.30000111.1V134 Q138 W166 Y169V134-V171 HydrophobicContact CG1-CG1 4.08Å; V134-V171 HydrophobicContact CG2-CG2 3.92Å; Q138-V171 HydrophobicContact CG-CG1 4.19Å; W166-V171 CarbonylContact C-O 3.55Å; W166-V171 VanDerWaalsContact CB-O 3.32Å; W166-V171 WeakPolarHBondContact CB-O 3.37Å; W166-V171 HydrophobicContact CE3-CG2 3.92Å; W166-V171 PolarHBondContact O-N 3.03Å; Y169-V171 PolarHBondContact O-N 3.15Å
172T93.4Very high97.1Very high129 Ų12938.6 Ų38.679%0.79122%0.222SC*.  trans-137.983.9172.7-56.20000108.2N174T172-N174 PolarHBondContact O-N 2.97Å
173P94.8Very high97.1Very high14 Ų1438.6 Ų38.69%0.09122%0.222CC..  trans-63.9131.9-178.725.6-32.4000110.2V133 V137 L146 W166 I175V133-P173 HydrophobicContact CG1-CB 3.93Å; V133-P173 HydrophobicContact CG1-CG 4.2Å; V137-P173 HydrophobicContact CG2-CB 3.83Å; L146-P173 HydrophobicContact CD2-CB 4.01Å; W166-P173 HydrophobicContact CD2-CG 3.52Å; W166-P173 VanDerWaalsContact CE2-CG 3.4Å; W166-P173 HydrophobicContact CE3-CG 4.17Å; W166-P173 VanDerWaalsContact CG-CD 3.44Å; W166-P173 HydrophobicContact CG-CG 3.67Å; W166-P173 HydrophobicContact CZ2-CG 3.98Å; P173-I175 HydrophobicContact CB-CD1 4.24Å; P173-I175 HydrophobicContact CB-CG1 3.83Å; P173-I175 HydrophobicContact CG-CD1 4.01Å; P173-I175 HydrophobicContact CG-CG1 4.07Å; P173-I175 PolarHBondContact O-N 3.49Å
174N94.7Very high97.1Very high84 Ų8438.3 Ų38.345%0.44922%0.221SC..  trans-79.764.6175.6-172.514000111S144 L146 T172 K176S144-N174 PolarHBondContact O-ND2 2.91Å; L146-N174 WeakPolarHBondContact CB-O 3.48Å; L146-N174 PolarHBondContact N-O 3.17Å; T172-N174 PolarHBondContact O-N 2.97Å; N174-K176 WeakPolarHBondContact ND2-CE 3.38Å; N174-K176 PolarHBondContact O-N 2.99Å; N174-K176 VanDerWaalsContact O-N 3.17Å
175I97.4Very high97.1Very high13 Ų1338.3 Ų38.37%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-74.1104-179.4-50.2176.8000109.2L146 L148 V161 L162 W166 P173L146-I175 HydrophobicContact CD2-CG1 4.03Å; L146-I175 HydrophobicContact CG-CG1 4.44Å; L146-I175 CarbonylContact O-C 2.93Å; L146-I175 VanDerWaalsContact O-CA 3.32Å; L146-I175 WeakPolarHBondContact O-CA 3.4Å; L148-I175 HydrophobicContact CD1-CD1 4.46Å; L148-I175 HydrophobicContact CD1-CG2 4.36Å; L148-I175 HydrophobicContact CG-CG2 4.26Å; V161-I175 HydrophobicContact CG1-CD1 4.35Å; L162-I175 HydrophobicContact CD2-CD1 4.38Å; L162-I175 HydrophobicContact CD2-CG2 3.78Å; W166-I175 HydrophobicContact CZ2-CD1 4.25Å; P173-I175 HydrophobicContact CB-CD1 4.24Å; P173-I175 HydrophobicContact CB-CG1 3.83Å; P173-I175 HydrophobicContact CG-CD1 4.01Å; P173-I175 HydrophobicContact CG-CG1 4.07Å; P173-I175 PolarHBondContact O-N 3.49Å
176K97.9Very high97.2Very high82 Ų8236.6 Ų36.636%0.35721%0.211SC..EExtended strand (participates in β ladder)trans-91.1-24.9-177.3-70.2-169.9175.4174.30113.4S144 L146 Y147 N174 R226S144-K176 WeakPolarHBondContact O-CE 3.46Å; S144-K176 PolarHBondContact O-NZ 3.11Å; L146-K176 PolarHBondContact O-N 3.18Å; Y147-K176 HydrophobicContact CD1-CB 4.43Å; Y147-K176 HydrophobicContact CE1-CB 3.74Å; Y147-K176 HydrophobicContact CE2-CB 4.42Å; N174-K176 WeakPolarHBondContact ND2-CE 3.38Å; N174-K176 PolarHBondContact O-N 2.99Å; N174-K176 VanDerWaalsContact O-N 3.17Å; K176-R226 PolarHBondContact O-N 3.29Å
177G98.4Very high97.3Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-161.5158.8-179.700000114.8Y147 L148 C225 R226Y147-G177 CarbonylContact C-O 3.54Å; Y147-G177 VanDerWaalsContact CA-O 3.24Å; Y147-G177 WeakPolarHBondContact CA-O 3.31Å; L148-G177 PolarHBondContact N-O 3.47Å; G177-C225 VanDerWaalsContact C-SG 3.55Å; G177-C225 WeakPolarHBondContact CA-SG 3.38Å; G177-R226 CarbonylContact C-O 3.56Å; G177-R226 WeakPolarHBondContact CA-O 3.37Å
178A98.8Very high97.4Very high0 Ų033.3 Ų33.30%019%0.187CC..EExtended strand (participates in β ladder)trans-144.9133.4178.500000112.1L148 L162 L180 R226 I227 V228L148-A178 HydrophobicContact CB-CB 4.13Å; L148-A178 CarbonylContact O-C 3.56Å; L148-A178 VanDerWaalsContact O-CA 3.29Å; L148-A178 WeakPolarHBondContact O-CA 3.07Å; L162-A178 HydrophobicContact CD1-CB 3.66Å; L162-A178 HydrophobicContact CD2-CB 4.16Å; L162-A178 HydrophobicContact CG-CB 4.35Å; A178-L180 HydrophobicContact CB-CD2 4.37Å; A178-R226 PolarHBondContact N-O 3.35Å; A178-I227 WeakPolarHBondContact O-CA 3.44Å; A178-V228 PolarHBondContact O-N 3.07Å
179F98.8Very high97.5Very high3 Ų326.2 Ų26.21%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-105.7111.1170.4-78.5-112.7000108.5L148 C149 G150 V181 V228 L284 L285 M288L148-F179 PolarHBondContact O-N 2.94Å; C149-F179 WeakPolarHBondContact CA-O 3.16Å; C149-F179 HydrophobicContact CB-CB 4.36Å; G150-F179 PolarHBondContact N-O 3.21Å; F179-V181 HydrophobicContact CB-CG2 4.25Å; F179-V228 HydrophobicContact CD1-CB 4.04Å; F179-V228 HydrophobicContact CD1-CG1 4.01Å; F179-V228 HydrophobicContact CE1-CB 4.12Å; F179-V228 HydrophobicContact CE1-CG1 4.04Å; F179-V228 HydrophobicContact CE1-CG2 4.14Å; F179-V228 HydrophobicContact CE2-CG2 4.3Å; F179-V228 HydrophobicContact CG-CB 4.25Å; F179-V228 HydrophobicContact CZ-CB 4.37Å; F179-V228 HydrophobicContact CZ-CG2 3.99Å; F179-L284 HydrophobicContact CE1-CB 4.2Å; F179-L284 HydrophobicContact CE1-CD2 3.98Å; F179-L284 HydrophobicContact CE1-CG 4.04Å; F179-L284 HydrophobicContact CZ-CB 4.18Å; F179-L284 HydrophobicContact CZ-CD2 4.23Å; F179-L284 HydrophobicContact CZ-CG 3.86Å; F179-L285 HydrophobicContact CD2-CD1 3.62Å; F179-L285 HydrophobicContact CE1-CB 4.17Å; F179-L285 HydrophobicContact CE2-CB 3.98Å; F179-L285 HydrophobicContact CE2-CD1 3.47Å; F179-L285 VanDerWaalsContact CE2-CD1 3.47Å; F179-L285 HydrophobicContact CE2-CG 4.33Å; F179-L285 HydrophobicContact CG-CD1 4.42Å; F179-L285 HydrophobicContact CZ-CB 3.76Å; F179-L285 HydrophobicContact CZ-CD1 4.17Å; F179-M288 HydrophobicContact CD2-CE 4.13Å; F179-M288 HydrophobicContact CD2-SD 4.34Å; F179-M288 HydrophobicContact CE2-CB 4.41Å; F179-M288 HydrophobicContact CE2-CE 3.31Å; F179-M288 HydrophobicContact CE2-SD 3.66Å; F179-M288 HydrophobicContact CZ-CE 3.79Å
180L98.9Very high97.6Very high0 Ų023.3 Ų23.30%014%0.143CC..EExtended strand (participates in β ladder)trans-104.996.5177.9-49.3-179.8000107.1A155 A158 A159 L162 A178 Y185 I227 V228 A230 Y246A155-L180 HydrophobicContact CB-CB 4.26Å; A158-L180 HydrophobicContact CB-CD2 3.72Å; A159-L180 HydrophobicContact CB-CD1 4.24Å; L162-L180 HydrophobicContact CD1-CD2 4.45Å; A178-L180 HydrophobicContact CB-CD2 4.37Å; L180-Y185 HydrophobicContact CB-CE1 4.35Å; L180-Y185 VanDerWaalsContact CB-OH 3.31Å; L180-Y185 WeakPolarHBondContact CB-OH 3.48Å; L180-Y185 HydrophobicContact CD1-CE1 4.23Å; L180-I227 HydrophobicContact CD1-CG2 3.88Å; L180-I227 HydrophobicContact CG-CG2 4.26Å; L180-V228 PolarHBondContact N-O 3.39Å; L180-A230 PolarHBondContact O-N 3.17Å; L180-Y246 HydrophobicContact CD1-CD1 4.43Å; L180-Y246 HydrophobicContact CD1-CE1 3.78Å
181V98.9Very high97.7Very high1 Ų121.8 Ų21.81%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-101.8119.7-168.5-170.90000110.5G150 H151 S152 F179 G183 A230 I270 I271G150-V181 WeakPolarHBondContact O-CB 3.49Å; G150-V181 PolarHBondContact O-N 3.49Å; H151-V181 CarbonylContact C-O 3.53Å; H151-V181 WeakPolarHBondContact CA-O 3.31Å; S152-V181 PolarHBondContact N-O 2.92Å; F179-V181 HydrophobicContact CB-CG2 4.25Å; V181-G183 VanDerWaalsContact C-N 3.26Å; V181-G183 PolarHBondContact O-N 3.41Å; V181-A230 CarbonylContact C-O 3.57Å; V181-A230 WeakPolarHBondContact CA-O 3.37Å; V181-A230 HydrophobicContact CG1-CB 4.32Å; V181-A230 HydrophobicContact CG2-CB 4.27Å; V181-I270 HydrophobicContact CG1-CB 4.45Å; V181-I270 HydrophobicContact CG1-CD1 3.61Å; V181-I270 HydrophobicContact CG1-CG1 3.74Å; V181-I270 HydrophobicContact CG1-CG2 3.89Å; V181-I271 HydrophobicContact CB-CD1 4.21Å; V181-I271 HydrophobicContact CG1-CD1 4.21Å; V181-I271 HydrophobicContact CG2-CD1 4.09Å
182S98.6Very high97.8Very high0 Ų024.1 Ų24.10%013%0.133CC..SBendtrans47.746.7179.3-75.30000112.6S152 A230 D235 F239 H267S152-S182 VanDerWaalsContact CA-O 3.24Å; S152-S182 WeakPolarHBondContact CA-O 3.22Å; S182-A230 PolarHBondContact N-O 2.94Å; S182-D235 VanDerWaalsContact CB-OD2 3.23Å; S182-D235 WeakPolarHBondContact CB-OD2 3.43Å; S182-D235 PolarHBondContact OG-OD2 2.84Å; S182-F239 WeakPolarHBondContact O-CD1 3.27Å; S182-F239 VanDerWaalsContact O-CE1 3.32Å; S182-F239 WeakPolarHBondContact O-CE1 3.45Å; S182-H267 PolarHBondContact O-CE1 3.32Å
183G98.5Very high98Very high0 Ų018.2 Ų18.20%010%0.097CC..  trans-82.1168.5-171.800000115.4V181 F239V181-G183 VanDerWaalsContact C-N 3.26Å; V181-G183 PolarHBondContact O-N 3.41Å; G183-F239 WeakPolarHBondContact O-CD1 3.31Å
184I98.4Very high98.1Very high1 Ų121.7 Ų21.71%0.00511%0.109CC..  trans-114.5126.9168.3-170.5176.4000108.6Y15 W87 H156 L187 I190 F239 Q242Y15-I184 HydrophobicContact CD1-CD1 4.32Å; Y15-I184 HydrophobicContact CE1-CD1 3.94Å; W87-I184 HydrophobicContact CH2-CD1 4.43Å; W87-I184 HydrophobicContact CH2-CG2 3.56Å; W87-I184 HydrophobicContact CZ2-CG2 3.73Å; H156-I184 HydrophobicContact CB-CG2 3.9Å; H156-I184 VanDerWaalsContact CB-O 3.27Å; H156-I184 WeakPolarHBondContact CB-O 3.48Å; I184-L187 HydrophobicContact CD1-CD2 4.04Å; I184-L187 HydrophobicContact CG1-CD2 4.15Å; I184-L187 HydrophobicContact CG2-CD2 4.13Å; I184-I190 HydrophobicContact CD1-CD1 4.07Å; I184-I190 HydrophobicContact CD1-CG1 4.34Å; I184-I190 HydrophobicContact CD1-CG2 3.63Å; I184-F239 HydrophobicContact CB-CE1 4.34Å; I184-Q242 VanDerWaalsContact CG1-OE1 3.23Å
185Y98.8Very high98.3Very high3 Ų317.8 Ų17.81%0.0129%0.088CC..  trans-124.3-13.5-170.1-49.7-72.6000113.1A159 L180 S210 P211 S212 Q242 Y246A159-Y185 HydrophobicContact CB-CD1 4.37Å; A159-Y185 HydrophobicContact CB-CE1 4.4Å; L180-Y185 HydrophobicContact CB-CE1 4.35Å; L180-Y185 VanDerWaalsContact CB-OH 3.31Å; L180-Y185 WeakPolarHBondContact CB-OH 3.48Å; L180-Y185 HydrophobicContact CD1-CE1 4.23Å; Y185-S210 CarbonylContact O-C 3.4Å; Y185-P211 HydrophobicContact CD1-CB 4.21Å; Y185-P211 HydrophobicContact CD1-CG 4.33Å; Y185-P211 VanDerWaalsContact O-CD 3.3Å; Y185-P211 WeakPolarHBondContact O-CD 3.47Å; Y185-S212 VanDerWaalsContact O-CB 3.31Å; Y185-S212 WeakPolarHBondContact O-CB 3.43Å; Y185-S212 PolarHBondContact O-N 3.39Å; Y185-S212 PolarHBondContact O-OG 2.87Å; Y185-Q242 HydrophobicContact CD2-CB 4.3Å; Y185-Q242 WeakPolarHBondContact CD2-O 3.19Å; Y185-Y246 AromaticContact CD1-CD1 3.39Å; Y185-Y246 HydrophobicContact CD1-CD1 3.39Å; Y185-Y246 HydrophobicContact CD1-CD2 4.33Å; Y185-Y246 AromaticContact CD1-CE1 3.57Å; Y185-Y246 HydrophobicContact CD1-CE1 3.57Å; Y185-Y246 HydrophobicContact CD1-CE2 4.5Å; Y185-Y246 AromaticContact CD1-CG 3.8Å; Y185-Y246 HydrophobicContact CD1-CG 3.8Å; Y185-Y246 VanDerWaalsContact CD2-CB 3.5Å; Y185-Y246 AromaticContact CD2-CD1 3.9Å; Y185-Y246 HydrophobicContact CD2-CD1 3.9Å; Y185-Y246 AromaticContact CD2-CG 3.82Å; Y185-Y246 HydrophobicContact CD2-CG 3.82Å; Y185-Y246 AromaticContact CE1-CD1 3.52Å; Y185-Y246 HydrophobicContact CE1-CD1 3.52Å; Y185-Y246 AromaticContact CE1-CE1 3.71Å; Y185-Y246 HydrophobicContact CE1-CE1 3.71Å; Y185-Y246 HydrophobicContact CE1-CG 4.32Å; Y185-Y246 HydrophobicContact CE2-CD1 4.03Å; Y185-Y246 HydrophobicContact CE2-CG 4.35Å; Y185-Y246 AromaticContact CG-CD1 3.58Å; Y185-Y246 HydrophobicContact CG-CD1 3.58Å; Y185-Y246 HydrophobicContact CG-CD2 4.06Å; Y185-Y246 HydrophobicContact CG-CE1 4.18Å; Y185-Y246 AromaticContact CG-CG 3.5Å; Y185-Y246 HydrophobicContact CG-CG 3.5Å; Y185-Y246 AromaticContact CZ-CD1 3.83Å
186D98.6Very high98.3Very high36 Ų3618.1 Ų18.119%0.1939%0.09CC..  trans-123.2120.8164.8179.99.6000109.1L188 P189 Q242D186-L188 WeakPolarHBondContact OD1-CB 3.37Å; D186-L188 PolarHBondContact OD1-N 2.87Å; D186-P189 WeakPolarHBondContact O-CD 3.37Å; D186-Q242 PolarHBondContact O-NE2 3.44Å; D186-Q242 PolarHBondContact O-OE1 3.06Å
187L98.7Very high98.3Very high0 Ų020.3 Ų20.30%010%0.102CC..  trans-92.8-11.9-177.1-57.5-171.2000113.3W87 M122 I184 P189 I190 M201 A206 N209 S210W87-L187 HydrophobicContact CH2-CD2 3.55Å; W87-L187 HydrophobicContact CZ2-CD2 3.98Å; M122-L187 HydrophobicContact CE-CD1 3.94Å; M122-L187 HydrophobicContact CG-CD1 4.35Å; M122-L187 HydrophobicContact SD-CD1 4.25Å; I184-L187 HydrophobicContact CD1-CD2 4.04Å; I184-L187 HydrophobicContact CG1-CD2 4.15Å; I184-L187 HydrophobicContact CG2-CD2 4.13Å; L187-P189 VanDerWaalsContact C-CD 3.42Å; L187-I190 HydrophobicContact CB-CG1 4.44Å; L187-I190 HydrophobicContact CD2-CD1 4.21Å; L187-I190 WeakPolarHBondContact O-CG1 3.32Å; L187-I190 PolarHBondContact O-N 3.11Å; L187-M201 HydrophobicContact CD1-SD 4.13Å; L187-A206 HydrophobicContact CB-CB 3.89Å; L187-N209 HydrophobicContact CD1-CB 3.87Å; L187-N209 VanDerWaalsContact CD1-O 3.23Å; L187-N209 WeakPolarHBondContact CD1-O 3.41Å; L187-S210 PolarHBondContact N-OG 3.15Å
188L98.4Very high98.3Very high38 Ų3822 Ų2220%0.19911%0.112CC..G310 helixtrans-56-43.5178.5-72.8171.5000113.2W3 D186 I190 L191 E203 A206 V207W3-L188 HydrophobicContact CZ2-CB 4.15Å; D186-L188 WeakPolarHBondContact OD1-CB 3.37Å; D186-L188 PolarHBondContact OD1-N 2.87Å; L188-I190 PolarHBondContact O-N 2.83Å; L188-I190 VanDerWaalsContact O-N 3.16Å; L188-L191 HydrophobicContact CD2-CD1 3.92Å; L188-L191 WeakPolarHBondContact O-CB 3.31Å; L188-L191 PolarHBondContact O-N 3.36Å; L188-E203 HydrophobicContact CD2-CG 3.63Å; L188-A206 HydrophobicContact CD2-CB 4.25Å; L188-V207 HydrophobicContact CD1-CG2 4.2Å; L188-V207 HydrophobicContact CD2-CG2 3.83Å; L188-V207 HydrophobicContact CG-CG2 4.21Å
189P98.3Very high98.2Very high1 Ų122.3 Ų22.31%0.00611%0.114CC..G310 helixtrans-67.7-17.9-175.9-2133.4000114.5W3 Y15 D186 L187 P192W3-P189 HydrophobicContact CB-CB 4.18Å; W3-P189 HydrophobicContact CD2-CB 3.86Å; W3-P189 HydrophobicContact CD2-CG 4.13Å; W3-P189 HydrophobicContact CE3-CB 4.34Å; W3-P189 HydrophobicContact CG-CB 3.78Å; W3-P189 HydrophobicContact CG-CG 3.95Å; Y15-P189 HydrophobicContact CE2-CB 3.64Å; Y15-P189 WeakPolarHBondContact OH-CB 3.43Å; Y15-P189 WeakPolarHBondContact OH-CG 3.23Å; D186-P189 WeakPolarHBondContact O-CD 3.37Å; L187-P189 VanDerWaalsContact C-CD 3.42Å; P189-P192 WeakPolarHBondContact O-CD 3.18Å
190I98Very high98.2Very high0 Ų030.3 Ų30.30%015%0.149CC..G310 helixtrans-89.1-13.2179.560.7162.5000113Y15 W87 I184 L187 L188 T193 I195 M201Y15-I190 HydrophobicContact CD1-CG2 3.49Å; Y15-I190 VanDerWaalsContact CD1-CG2 3.49Å; Y15-I190 HydrophobicContact CD2-CG2 4.03Å; Y15-I190 HydrophobicContact CE1-CG2 3.65Å; Y15-I190 HydrophobicContact CE2-CG2 4.19Å; Y15-I190 HydrophobicContact CG-CG2 3.7Å; W87-I190 HydrophobicContact CH2-CD1 3.96Å; W87-I190 HydrophobicContact CZ3-CD1 3.63Å; I184-I190 HydrophobicContact CD1-CD1 4.07Å; I184-I190 HydrophobicContact CD1-CG1 4.34Å; I184-I190 HydrophobicContact CD1-CG2 3.63Å; L187-I190 HydrophobicContact CB-CG1 4.44Å; L187-I190 HydrophobicContact CD2-CD1 4.21Å; L187-I190 WeakPolarHBondContact O-CG1 3.32Å; L187-I190 PolarHBondContact O-N 3.11Å; L188-I190 PolarHBondContact O-N 2.83Å; L188-I190 VanDerWaalsContact O-N 3.16Å; I190-T193 WeakPolarHBondContact O-CB 3.34Å; I190-T193 PolarHBondContact O-N 2.91Å; I190-T193 VanDerWaalsContact O-N 3.1Å; I190-T193 PolarHBondContact O-OG1 3.12Å; I190-I195 HydrophobicContact CD1-CG2 4.19Å; I190-I195 HydrophobicContact CG2-CD1 4.31Å; I190-M201 HydrophobicContact CD1-CE 3.71Å; I190-M201 HydrophobicContact CG1-CE 4.17Å
191L98.2Very high98.2Very high38 Ų3830.9 Ų30.920%0.19915%0.151CC..THydrogen-bonded Turntrans-52.7-44.8178-70.4178.5000114.8L188 T193 N196 M201 E203 A206L188-L191 HydrophobicContact CD2-CD1 3.92Å; L188-L191 WeakPolarHBondContact O-CB 3.31Å; L188-L191 PolarHBondContact O-N 3.36Å; L191-T193 VanDerWaalsContact C-N 3.27Å; L191-T193 PolarHBondContact O-N 3.33Å; L191-N196 WeakPolarHBondContact CD2-ND2 3.24Å; L191-N196 WeakPolarHBondContact O-CB 3.21Å; L191-N196 PolarHBondContact O-ND2 3.39Å; L191-M201 HydrophobicContact CD2-CB 3.73Å; L191-M201 HydrophobicContact CD2-CE 4.44Å; L191-M201 WeakPolarHBondContact CD2-O 3.34Å; L191-E203 HydrophobicContact CD1-CB 4.31Å; L191-E203 HydrophobicContact CD1-CG 4.46Å; L191-A206 HydrophobicContact CD1-CB 3.93Å; L191-A206 HydrophobicContact CD2-CB 3.93Å; L191-A206 HydrophobicContact CG-CB 4.04Å
192P97.4Very high98.1Very high63 Ų6334 Ų3441%0.40917%0.171SC..THydrogen-bonded Turntrans-82.92.7-179.134.9-38.8000114.2W3 K8 L11 P189W3-P192 HydrophobicContact CZ3-CG 4.4Å; K8-P192 VanDerWaalsContact CE-O 3.32Å; K8-P192 WeakPolarHBondContact CE-O 3.38Å; L11-P192 HydrophobicContact CD2-CG 3.63Å; P189-P192 WeakPolarHBondContact O-CD 3.18Å
193T98.1Very high98.1Very high5 Ų539.9 Ų39.93%0.03120%0.198CC..SBendtrans-98.3162.7-175.473.40000112L11 E12 I190 L191 I195 N196L11-T193 HydrophobicContact CD2-CG2 4.06Å; L11-T193 HydrophobicContact CG-CG2 3.92Å; E12-T193 HydrophobicContact CG-CG2 4.08Å; I190-T193 WeakPolarHBondContact O-CB 3.34Å; I190-T193 PolarHBondContact O-N 2.91Å; I190-T193 VanDerWaalsContact O-N 3.1Å; I190-T193 PolarHBondContact O-OG1 3.12Å; L191-T193 VanDerWaalsContact C-N 3.27Å; L191-T193 PolarHBondContact O-N 3.33Å; T193-I195 PolarHBondContact O-N 3.35Å; T193-I195 WeakPolarHBondContact OG1-CB 3.43Å; T193-I195 PolarHBondContact OG1-N 2.89Å; T193-N196 PolarHBondContact O-N 3.38Å; T193-N196 VanDerWaalsContact O-N 3.12Å
194Y97Very high98.1Very high88 Ų8846 Ų4635%0.34523%0.227SC..THydrogen-bonded Turntrans-53.2-25.2172.674.7-94.9000113.9E12 S16 N196 E197E12-Y194 HydrophobicContact CB-CD1 4.15Å; E12-Y194 HydrophobicContact CB-CE1 4.17Å; E12-Y194 HydrophobicContact CG-CD1 3.83Å; E12-Y194 HydrophobicContact CG-CE1 4.32Å; E12-Y194 PolarHBondContact OE1-N 2.99Å; S16-Y194 PolarHBondContact OG-OH 2.63Å; Y194-N196 PolarHBondContact O-N 3.03Å; Y194-E197 WeakPolarHBondContact O-CB 3.4Å; Y194-E197 WeakPolarHBondContact O-CG 3.37Å; Y194-E197 PolarHBondContact O-N 2.93Å; Y194-E197 VanDerWaalsContact O-N 3.09Å
195I97.6Very high98.2Very high1 Ų146.9 Ų46.91%0.00523%0.232CC..THydrogen-bonded Turntrans-60.2-33-179.6-63.3156000111.2Y15 Y86 Q88 I190 T193 E197 L199Y15-I195 HydrophobicContact CG-CD1 4.44Å; Y86-I195 HydrophobicContact CD1-CD1 4.38Å; Y86-I195 HydrophobicContact CD1-CG1 4.45Å; Y86-I195 HydrophobicContact CD1-CG2 3.43Å; Y86-I195 VanDerWaalsContact CD1-CG2 3.43Å; Y86-I195 HydrophobicContact CD2-CG1 4.5Å; Y86-I195 HydrophobicContact CE1-CD1 3.76Å; Y86-I195 HydrophobicContact CE1-CG1 4.31Å; Y86-I195 HydrophobicContact CE1-CG2 3.76Å; Y86-I195 HydrophobicContact CE2-CD1 3.92Å; Y86-I195 HydrophobicContact CE2-CG1 4.34Å; Y86-I195 HydrophobicContact CG-CG2 3.96Å; Y86-I195 VanDerWaalsContact CZ-CD1 3.49Å; Q88-I195 PolarHBondContact NE2-O 2.9Å; I190-I195 HydrophobicContact CD1-CG2 4.19Å; I190-I195 HydrophobicContact CG2-CD1 4.31Å; T193-I195 PolarHBondContact O-N 3.35Å; T193-I195 WeakPolarHBondContact OG1-CB 3.43Å; T193-I195 PolarHBondContact OG1-N 2.89Å; I195-E197 VanDerWaalsContact C-N 3.34Å; I195-L199 HydrophobicContact CG2-CD1 4.16Å; I195-L199 WeakPolarHBondContact O-CD1 3.32Å
196N98.2Very high98.2Very high20 Ų2046.8 Ų46.811%0.10723%0.232CC..Hα-helixtrans-83.1-8.2-178.9-165.538.5000113.3L191 T193 Y194 L199 K200 M201L191-N196 WeakPolarHBondContact CD2-ND2 3.24Å; L191-N196 WeakPolarHBondContact O-CB 3.21Å; L191-N196 PolarHBondContact O-ND2 3.39Å; T193-N196 PolarHBondContact O-N 3.38Å; T193-N196 VanDerWaalsContact O-N 3.12Å; Y194-N196 PolarHBondContact O-N 3.03Å; N196-L199 PolarHBondContact O-N 2.96Å; N196-K200 WeakPolarHBondContact O-CA 3.37Å; N196-K200 PolarHBondContact O-N 3.14Å; N196-M201 PolarHBondContact ND2-O 3.21Å; N196-M201 VanDerWaalsContact ND2-O 3.11Å; N196-M201 VanDerWaalsContact OD1-CB 3.28Å; N196-M201 WeakPolarHBondContact OD1-CB 3.3Å; N196-M201 WeakPolarHBondContact OD1-CE 3.41Å; N196-M201 PolarHBondContact OD1-N 3.36Å
197E97.9Very high98.2Very high129 Ų12947.8 Ų47.860%0.60324%0.239SC*.Hα-helixtrans-57.3-47.1-179-69.1178-176.200113.5Y194 I195 K200Y194-E197 WeakPolarHBondContact O-CB 3.4Å; Y194-E197 WeakPolarHBondContact O-CG 3.37Å; Y194-E197 PolarHBondContact O-N 2.93Å; Y194-E197 VanDerWaalsContact O-N 3.09Å; I195-E197 VanDerWaalsContact C-N 3.34Å; E197-K200 WeakPolarHBondContact O-CG 3.38Å
198P97.8Very high98.1Very high34 Ų3453.7 Ų53.722%0.22126%0.262CS..Hα-helixtrans-82.4-26.8174.929.1-32.6000113.6Q88 A117 P118Q88-P198 HydrophobicContact CG-CG 3.81Å; A117-P198 HydrophobicContact CB-CB 4.11Å; P118-P198 HydrophobicContact CB-CB 4.45Å
199L97.9Very high98.2Very high8 Ų852.1 Ų52.14%0.04225%0.253CS..Hα-helixtrans-76.4-31.7-178.6-65.4164.5000112.6W87 A117 M125 I195 N196 M201W87-L199 HydrophobicContact CB-CD2 3.98Å; W87-L199 HydrophobicContact CE3-CD1 3.67Å; W87-L199 HydrophobicContact CE3-CD2 4.4Å; W87-L199 HydrophobicContact CZ3-CD1 4.07Å; A117-L199 HydrophobicContact CB-CD2 3.61Å; A117-L199 HydrophobicContact CB-CG 4.22Å; M125-L199 HydrophobicContact CE-CD2 3.8Å; I195-L199 HydrophobicContact CG2-CD1 4.16Å; I195-L199 WeakPolarHBondContact O-CD1 3.32Å; N196-L199 PolarHBondContact O-N 2.96Å; L199-M201 HydrophobicContact CB-CE 4.33Å; L199-M201 HydrophobicContact CB-CG 4.01Å; L199-M201 HydrophobicContact CD1-CE 3.9Å; L199-M201 PolarHBondContact O-N 3.33Å; L199-M201 VanDerWaalsContact O-N 3.15Å
200K97.7Very high98.2Very high170 Ų17052.1 Ų52.174%0.73925%0.253SS*.  trans48.639.2-179.7-57.8-177.3-179.8179.20112.9N196 E197N196-K200 WeakPolarHBondContact O-CA 3.37Å; N196-K200 PolarHBondContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CG 3.38Å
201M98.6Very high98.2Very high12 Ų1252.1 Ų52.16%0.05925%0.253CS..  trans-67.6136.9177.5-62.2-177.6-68.700109.7M122 L187 I190 L191 N196 L199 V205M122-M201 HydrophobicContact CB-CG 4.29Å; M122-M201 HydrophobicContact CB-SD 4Å; M122-M201 HydrophobicContact CE-CE 4.37Å; M122-M201 HydrophobicContact CE-SD 3.53Å; M122-M201 VanDerWaalsContact CE-SD 3.53Å; M122-M201 HydrophobicContact CG-SD 4.09Å; L187-M201 HydrophobicContact CD1-SD 4.13Å; I190-M201 HydrophobicContact CD1-CE 3.71Å; I190-M201 HydrophobicContact CG1-CE 4.17Å; L191-M201 HydrophobicContact CD2-CB 3.73Å; L191-M201 HydrophobicContact CD2-CE 4.44Å; L191-M201 WeakPolarHBondContact CD2-O 3.34Å; N196-M201 PolarHBondContact ND2-O 3.21Å; N196-M201 VanDerWaalsContact ND2-O 3.11Å; N196-M201 VanDerWaalsContact OD1-CB 3.28Å; N196-M201 WeakPolarHBondContact OD1-CB 3.3Å; N196-M201 WeakPolarHBondContact OD1-CE 3.41Å; N196-M201 PolarHBondContact OD1-N 3.36Å; L199-M201 HydrophobicContact CB-CE 4.33Å; L199-M201 HydrophobicContact CB-CG 4.01Å; L199-M201 HydrophobicContact CD1-CE 3.9Å; L199-M201 PolarHBondContact O-N 3.33Å; L199-M201 VanDerWaalsContact O-N 3.15Å; M201-V205 HydrophobicContact CB-CB 4.17Å; M201-V205 HydrophobicContact CB-CG1 4.07Å; M201-V205 HydrophobicContact CG-CB 4.5Å; M201-V205 HydrophobicContact CG-CG1 3.85Å; M201-V205 HydrophobicContact SD-CG1 4.37Å
202T98.6Very high98.2Very high67 Ų6751.7 Ų51.741%0.41125%0.254SS..  trans-82169.7161.373.70000109.7E204 V205 A206T202-E204 VanDerWaalsContact C-N 3.27Å; T202-E204 WeakPolarHBondContact CB-OE2 3.24Å; T202-E204 PolarHBondContact O-N 3.41Å; T202-E204 PolarHBondContact OG1-N 2.83Å; T202-E204 PolarHBondContact OG1-OE2 3.02Å; T202-V205 PolarHBondContact O-N 3.31Å; T202-V205 WeakPolarHBondContact OG1-CG2 3.26Å; T202-V205 PolarHBondContact OG1-N 3.15Å; T202-A206 PolarHBondContact O-N 2.84Å
203E98.5Very high98.2Very high124 Ų12454.2 Ų54.258%0.57926%0.26SS*.Hα-helixtrans-57.9-42.1173.7-167.4176148.400111.6L188 L191 V205 A206 V207L188-E203 HydrophobicContact CD2-CG 3.63Å; L191-E203 HydrophobicContact CD1-CB 4.31Å; L191-E203 HydrophobicContact CD1-CG 4.46Å; E203-V205 VanDerWaalsContact C-N 3.31Å; E203-V205 PolarHBondContact O-N 3.23Å; E203-A206 PolarHBondContact O-N 3.48Å; E203-V207 HydrophobicContact CG-CG2 4.41Å; E203-V207 WeakPolarHBondContact O-CG2 3.46Å; E203-V207 PolarHBondContact O-N 3.17Å
204E98.6Very high98.2Very high129 Ų12955.3 Ų55.360%0.60327%0.265SS*.Hα-helixtrans-62.6-39.1178.6-55.979.1-17200111.9T202 R208T202-E204 VanDerWaalsContact C-N 3.27Å; T202-E204 WeakPolarHBondContact CB-OE2 3.24Å; T202-E204 PolarHBondContact O-N 3.41Å; T202-E204 PolarHBondContact OG1-N 2.83Å; T202-E204 PolarHBondContact OG1-OE2 3.02Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.84Å; E204-R208 VanDerWaalsContact O-N 3.11Å
205V98.6Very high98.3Very high19 Ų1951.4 Ų51.412%0.11525%0.251CS..Hα-helixtrans-66.1-44.1175.8177.60000110.6M122 M201 T202 E203 R208 N209M122-V205 HydrophobicContact CB-CG1 3.79Å; M122-V205 HydrophobicContact CG-CG1 4.35Å; M201-V205 HydrophobicContact CB-CB 4.17Å; M201-V205 HydrophobicContact CB-CG1 4.07Å; M201-V205 HydrophobicContact CG-CB 4.5Å; M201-V205 HydrophobicContact CG-CG1 3.85Å; M201-V205 HydrophobicContact SD-CG1 4.37Å; T202-V205 PolarHBondContact O-N 3.31Å; T202-V205 WeakPolarHBondContact OG1-CG2 3.26Å; T202-V205 PolarHBondContact OG1-N 3.15Å; E203-V205 VanDerWaalsContact C-N 3.31Å; E203-V205 PolarHBondContact O-N 3.23Å; V205-R208 WeakPolarHBondContact O-CG 3.47Å; V205-N209 WeakPolarHBondContact O-CB 3.28Å; V205-N209 PolarHBondContact O-N 3.12Å; V205-N209 PolarHBondContact O-ND2 3.06Å
206A98.7Very high98.3Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-63.8-46.4178.700000111.7L187 L188 L191 T202 E203 N209 S210L187-A206 HydrophobicContact CB-CB 3.89Å; L188-A206 HydrophobicContact CD2-CB 4.25Å; L191-A206 HydrophobicContact CD1-CB 3.93Å; L191-A206 HydrophobicContact CD2-CB 3.93Å; L191-A206 HydrophobicContact CG-CB 4.04Å; T202-A206 PolarHBondContact O-N 2.84Å; E203-A206 PolarHBondContact O-N 3.48Å; A206-N209 CarbonylContact O-C 3.4Å; A206-N209 PolarHBondContact O-N 2.92Å; A206-S210 WeakPolarHBondContact O-CB 3.03Å; A206-S210 PolarHBondContact O-N 2.89Å; A206-S210 PolarHBondContact O-OG 2.88Å
207V98.6Very high98.3Very high58 Ų5858 Ų5835%0.35229%0.288SS..Hα-helixtrans-61.8-51.1179.8171.40000111.2L188 E203 N209 S210L188-V207 HydrophobicContact CD1-CG2 4.2Å; L188-V207 HydrophobicContact CD2-CG2 3.83Å; L188-V207 HydrophobicContact CG-CG2 4.21Å; E203-V207 HydrophobicContact CG-CG2 4.41Å; E203-V207 WeakPolarHBondContact O-CG2 3.46Å; E203-V207 PolarHBondContact O-N 3.17Å; V207-N209 PolarHBondContact O-N 2.92Å; V207-S210 PolarHBondContact O-N 3.05Å; V207-S210 VanDerWaalsContact O-N 3.1Å
208R98.5Very high98.3Very high124 Ų12451.9 Ų51.947%0.46826%0.259SS..Hα-helixtrans-67.5-22.2-177.276.8-176.7170.2-145.9-9.7113.4D123 E204 V205D123-R208 IonicContact OD1-CZ 3.25Å; D123-R208 IonicContact OD1-NE 3.49Å; D123-R208 PolarHBondContact OD1-NE 2.84Å; D123-R208 IonicContact OD1-NH2 2.57Å; D123-R208 PolarHBondContact OD1-NH2 2.98Å; D123-R208 IonicContact OD2-CZ 3.53Å; D123-R208 VanDerWaalsContact OD2-CZ 3.25Å; D123-R208 IonicContact OD2-NE 3.46Å; D123-R208 PolarHBondContact OD2-NE 2.64Å; D123-R208 IonicContact OD2-NH2 2.78Å; D123-R208 PolarHBondContact OD2-NH2 2.9Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.84Å; E204-R208 VanDerWaalsContact O-N 3.11Å; V205-R208 WeakPolarHBondContact O-CG 3.47Å
209N98.7Very high98.2Very high5 Ų555.3 Ų55.33%0.02727%0.271CS..THydrogen-bonded Turntrans-10420.4175.9-65.7-69.4000112.5M122 D123 V126 H156 M160 L187 V205 A206 V207 P211M122-N209 HydrophobicContact CG-CB 3.52Å; M122-N209 VanDerWaalsContact CG-CG 3.46Å; M122-N209 WeakPolarHBondContact CG-ND2 3.33Å; M122-N209 HydrophobicContact SD-CB 4.35Å; D123-N209 PolarHBondContact OD1-ND2 2.89Å; V126-N209 WeakPolarHBondContact CG2-OD1 3.37Å; H156-N209 PolarHBondContact NE2-O 2.98Å; M160-N209 HydrophobicContact CE-CB 4.37Å; L187-N209 HydrophobicContact CD1-CB 3.87Å; L187-N209 VanDerWaalsContact CD1-O 3.23Å; L187-N209 WeakPolarHBondContact CD1-O 3.41Å; V205-N209 WeakPolarHBondContact O-CB 3.28Å; V205-N209 PolarHBondContact O-N 3.12Å; V205-N209 PolarHBondContact O-ND2 3.06Å; A206-N209 CarbonylContact O-C 3.4Å; A206-N209 PolarHBondContact O-N 2.92Å; V207-N209 PolarHBondContact O-N 2.92Å; N209-P211 VanDerWaalsContact O-CD 3.3Å; N209-P211 WeakPolarHBondContact O-CD 3.29Å
210S98.8Very high98.1Very high0 Ų063.7 Ų63.70%030%0.302CS..  trans-96.3109.2172-70.70000110Y185 L187 A206 V207 S212 Q213Y185-S210 CarbonylContact O-C 3.4Å; L187-S210 PolarHBondContact N-OG 3.15Å; A206-S210 WeakPolarHBondContact O-CB 3.03Å; A206-S210 PolarHBondContact O-N 2.89Å; A206-S210 PolarHBondContact O-OG 2.88Å; V207-S210 PolarHBondContact O-N 3.05Å; V207-S210 VanDerWaalsContact O-N 3.1Å; S210-S212 PolarHBondContact O-N 3.24Å; S210-S212 VanDerWaalsContact O-N 3.08Å; S210-Q213 WeakPolarHBondContact O-CB 3.38Å; S210-Q213 PolarHBondContact O-N 3.46Å
211P98.6Very high97.9Very high0 Ų057.3 Ų57.30%028%0.279CS..G310 helixtrans-52.6-30.4178.5-28.732.6000114.7H156 A159 M160 Y185 N209 Q213 L214 Y246H156-P211 VanDerWaalsContact CD2-CD 3.47Å; H156-P211 WeakPolarHBondContact CD2-CD 3.15Å; A159-P211 HydrophobicContact CB-CB 3.67Å; A159-P211 HydrophobicContact CB-CG 3.76Å; M160-P211 HydrophobicContact CG-CG 4.22Å; M160-P211 HydrophobicContact SD-CG 3.92Å; Y185-P211 HydrophobicContact CD1-CB 4.21Å; Y185-P211 HydrophobicContact CD1-CG 4.33Å; Y185-P211 VanDerWaalsContact O-CD 3.3Å; Y185-P211 WeakPolarHBondContact O-CD 3.47Å; N209-P211 VanDerWaalsContact O-CD 3.3Å; N209-P211 WeakPolarHBondContact O-CD 3.29Å; P211-Q213 PolarHBondContact O-N 3.45Å; P211-L214 PolarHBondContact O-N 3.41Å; P211-Y246 HydrophobicContact CB-CE2 3.98Å
212S97.9Very high97.7Very high30 Ų3057.1 Ų57.121%0.2128%0.279CS..G310 helixtrans-56.6-30.7175.361.30000112.9Y185 S210 L214Y185-S212 VanDerWaalsContact O-CB 3.31Å; Y185-S212 WeakPolarHBondContact O-CB 3.43Å; Y185-S212 PolarHBondContact O-N 3.39Å; Y185-S212 PolarHBondContact O-OG 2.87Å; S210-S212 PolarHBondContact O-N 3.24Å; S210-S212 VanDerWaalsContact O-N 3.08Å; S212-L214 VanDerWaalsContact C-N 3.35Å
213Q97.8Very high97.4Very high115 Ų11557.9 Ų57.954%0.53729%0.286SS..G310 helixtrans-85.1-8178.2-54.6-57.1-43.800113.1S210 P211S210-Q213 WeakPolarHBondContact O-CB 3.38Å; S210-Q213 PolarHBondContact O-N 3.46Å; P211-Q213 PolarHBondContact O-N 3.45Å
214L98.3Very high97.1Very high28 Ų2855 Ų5515%0.14729%0.29CS..  trans-114.27.7-169.7-59.6179.9000114.1M160 P211 S212 P216 H217 L218M160-L214 HydrophobicContact CE-CD1 3.55Å; M160-L214 HydrophobicContact SD-CD1 3.61Å; P211-L214 PolarHBondContact O-N 3.41Å; S212-L214 VanDerWaalsContact C-N 3.35Å; L214-P216 VanDerWaalsContact C-CD 3.44Å; L214-P216 VanDerWaalsContact C-N 3.3Å; L214-H217 WeakPolarHBondContact O-CA 3.23Å; L214-H217 VanDerWaalsContact O-CB 3.29Å; L214-H217 WeakPolarHBondContact O-CB 3.45Å; L214-H217 PolarHBondContact O-N 3.44Å; L214-L218 PolarHBondContact O-N 2.73Å
215V98.1Very high97.1Very high6 Ų648.9 Ų48.94%0.03626%0.262CS..Hα-helixtrans-53-38.3178.11780000113.7H217 L218 K219 Y246 T249 L250 A253 L255V215-H217 VanDerWaalsContact C-N 3.28Å; V215-H217 PolarHBondContact O-N 3.03Å; V215-L218 PolarHBondContact O-N 2.98Å; V215-K219 PolarHBondContact O-N 2.86Å; V215-Y246 HydrophobicContact CG2-CE2 3.81Å; V215-T249 HydrophobicContact CB-CG2 4.24Å; V215-T249 HydrophobicContact CG1-CG2 4.42Å; V215-T249 HydrophobicContact CG2-CG2 3.72Å; V215-L250 HydrophobicContact CG1-CD2 4.14Å; V215-L250 HydrophobicContact CG2-CD2 3.98Å; V215-A253 HydrophobicContact CG1-CB 3.48Å; V215-A253 VanDerWaalsContact CG1-CB 3.48Å; V215-L255 HydrophobicContact CG1-CD1 4.11Å
216P97.8Very high97.1Very high84 Ų8455 Ų5555%0.54528%0.283SS..Hα-helixtrans-63.4-29.1172.6-24.635.5000114.4L214 R220L214-P216 VanDerWaalsContact C-CD 3.44Å; L214-P216 VanDerWaalsContact C-N 3.3Å; P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.17Å; P216-R220 PolarHBondContact O-NE 3.37Å
217H97.7Very high97.1Very high76 Ų7655.1 Ų55.135%0.35228%0.283SS..Hα-helixtrans-72-49.5173.5-64.279.5000109.8S163 L214 V215 K219 R220 S221S163-H217 WeakPolarHBondContact O-CB 3.45Å; L214-H217 WeakPolarHBondContact O-CA 3.23Å; L214-H217 VanDerWaalsContact O-CB 3.29Å; L214-H217 WeakPolarHBondContact O-CB 3.45Å; L214-H217 PolarHBondContact O-N 3.44Å; V215-H217 VanDerWaalsContact C-N 3.28Å; V215-H217 PolarHBondContact O-N 3.03Å; H217-K219 VanDerWaalsContact C-N 3.28Å; H217-K219 PolarHBondContact O-N 3.14Å; H217-R220 PolarHBondContact CD2-NH2 3.41Å; H217-R220 PolarHBondContact NE2-NH2 2.89Å; H217-R220 VanDerWaalsContact NE2-NH2 3.11Å; H217-R220 WeakPolarHBondContact O-CA 3.39Å; H217-R220 WeakPolarHBondContact O-CB 3.32Å; H217-R220 PolarHBondContact O-N 2.88Å; H217-S221 PolarHBondContact O-N 3.34Å; H217-S221 PolarHBondContact O-OG 2.95Å
218L97.9Very high97.1Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-52.2-45.7175.6-167.3165000112.1L162 L214 V215 R220 S221 S222 I227 L250 L255L162-L218 HydrophobicContact CB-CD1 3.85Å; L162-L218 HydrophobicContact CB-CG 3.87Å; L162-L218 HydrophobicContact CD1-CD1 4.22Å; L214-L218 PolarHBondContact O-N 2.73Å; V215-L218 PolarHBondContact O-N 2.98Å; L218-R220 PolarHBondContact O-N 3.18Å; L218-S221 WeakPolarHBondContact CA-OG 3.22Å; L218-S221 PolarHBondContact O-N 2.92Å; L218-S221 PolarHBondContact O-OG 3.31Å; L218-S222 WeakPolarHBondContact O-CA 3.44Å; L218-S222 PolarHBondContact O-N 2.85Å; L218-I227 HydrophobicContact CD1-CD1 4.25Å; L218-I227 HydrophobicContact CD2-CD1 4Å; L218-L250 HydrophobicContact CD1-CD2 3.88Å; L218-L255 HydrophobicContact CD2-CD1 3.54Å; L218-L255 HydrophobicContact CD2-CD2 3.59Å; L218-L255 HydrophobicContact CD2-CG 4.22Å
219K96.8Very high97.1Very high107 Ų10746.5 Ų46.547%0.46525%0.245SC..Hα-helixtrans-59.5-32.9176.6-175.7173.2-178.2166.90113.3V215 H217 S223 A253 L255V215-K219 PolarHBondContact O-N 2.86Å; H217-K219 VanDerWaalsContact C-N 3.28Å; H217-K219 PolarHBondContact O-N 3.14Å; K219-S223 WeakPolarHBondContact O-CB 3.49Å; K219-A253 WeakPolarHBondContact CD-O 3.03Å; K219-A253 WeakPolarHBondContact CE-O 3.44Å; K219-A253 PolarHBondContact NZ-O 2.95Å; K219-L255 HydrophobicContact CB-CD2 4.47Å
220R95.7Very high97.1Very high183 Ų18346.2 Ų46.269%0.69124%0.243SC*.Hα-helixtrans-79.7-40.3177.7-70.8-177.4-69.2169.50.9112P216 H217 L218P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.17Å; P216-R220 PolarHBondContact O-NE 3.37Å; H217-R220 PolarHBondContact CD2-NH2 3.41Å; H217-R220 PolarHBondContact NE2-NH2 2.89Å; H217-R220 VanDerWaalsContact NE2-NH2 3.11Å; H217-R220 WeakPolarHBondContact O-CA 3.39Å; H217-R220 WeakPolarHBondContact O-CB 3.32Å; H217-R220 PolarHBondContact O-N 2.88Å; L218-R220 PolarHBondContact O-N 3.18Å
221S94.1Very high97.1Very high36 Ų3646.2 Ų46.225%0.25224%0.243SC..Hα-helixtrans-87.7-24.7-173.249.30000114.7L162 T164 H217 L218L162-S221 PolarHBondContact O-OG 2.69Å; T164-S221 WeakPolarHBondContact O-CB 3.31Å; H217-S221 PolarHBondContact O-N 3.34Å; H217-S221 PolarHBondContact O-OG 2.95Å; L218-S221 WeakPolarHBondContact CA-OG 3.22Å; L218-S221 PolarHBondContact O-N 2.92Å; L218-S221 PolarHBondContact O-OG 3.31Å
222S94.4Very high97.1Very high9 Ų946.2 Ų46.26%0.06324%0.243CC..  trans-147.137-169-65.20000113L162 L218 G224 C225L162-S222 PolarHBondContact O-OG 2.94Å; L218-S222 WeakPolarHBondContact O-CA 3.44Å; L218-S222 PolarHBondContact O-N 2.85Å; S222-G224 PolarHBondContact O-N 2.83Å; S222-C225 VanDerWaalsContact O-CB 3.22Å; S222-C225 WeakPolarHBondContact O-CB 3.32Å; S222-C225 PolarHBondContact O-N 3.26Å
223S91.6Very high97.1Very high82 Ų8248.9 Ų48.957%0.57325%0.252SS*.THydrogen-bonded Turntrans-57.3-29.7179.850.90000114.9K219K219-S223 WeakPolarHBondContact O-CB 3.49Å
224G92.9Very high97.1Very high64 Ų6446 Ų4666%0.6624%0.241SC*.THydrogen-bonded Turntrans-85-3.9177.700000114.9S222S222-G224 PolarHBondContact O-N 2.83Å
225C97.3Very high97Very high1 Ų145 Ų451%0.00724%0.235CC..  trans-76132.5-178.3-177.70000110.8G177 S222G177-C225 VanDerWaalsContact C-SG 3.55Å; G177-C225 WeakPolarHBondContact CA-SG 3.38Å; S222-C225 VanDerWaalsContact O-CB 3.22Å; S222-C225 WeakPolarHBondContact O-CB 3.32Å; S222-C225 PolarHBondContact O-N 3.26Å
226R98.5Very high97Very high147 Ų14744.7 Ų44.756%0.55523%0.233SC*.EExtended strand (participates in β ladder)trans-86.7117.4170.3-62.5-179.4-176.5164.50.9109.9K176 G177 A178 T256 M288K176-R226 PolarHBondContact O-N 3.29Å; G177-R226 CarbonylContact C-O 3.56Å; G177-R226 WeakPolarHBondContact CA-O 3.37Å; A178-R226 PolarHBondContact N-O 3.35Å; R226-T256 HydrophobicContact CB-CG2 4.48Å; R226-T256 HydrophobicContact CG-CG2 4.05Å; R226-M288 HydrophobicContact CB-CE 4.26Å; R226-M288 HydrophobicContact CB-SD 4.21Å
227I98.9Very high97Very high2 Ų243.3 Ų43.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-104.7131.7-174.7-55.7170.8000109.9L162 A178 L180 L218 V229 L250 T256 V257 T258L162-I227 HydrophobicContact CD1-CD1 4.34Å; L162-I227 HydrophobicContact CD1-CG1 4.46Å; A178-I227 WeakPolarHBondContact O-CA 3.44Å; L180-I227 HydrophobicContact CD1-CG2 3.88Å; L180-I227 HydrophobicContact CG-CG2 4.26Å; L218-I227 HydrophobicContact CD1-CD1 4.25Å; L218-I227 HydrophobicContact CD2-CD1 4Å; I227-V229 HydrophobicContact CG2-CG2 4.23Å; I227-L250 HydrophobicContact CD1-CD1 4.26Å; I227-L250 HydrophobicContact CG2-CD1 4.07Å; I227-T256 PolarHBondContact N-O 3.37Å; I227-V257 HydrophobicContact CB-CB 4.28Å; I227-V257 HydrophobicContact CB-CG2 4.02Å; I227-V257 HydrophobicContact CG2-CG2 4.03Å; I227-V257 CarbonylContact O-C 3.56Å; I227-V257 VanDerWaalsContact O-CA 3.24Å; I227-V257 WeakPolarHBondContact O-CA 3.41Å; I227-T258 PolarHBondContact O-N 3.11Å; I227-T258 PolarHBondContact O-OG1 2.98Å
228V98.9Very high97Very high1 Ų140.1 Ų40.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-112115.8167.4174.40000107A178 F179 L180 A230 T258 E260 L284 M288A178-V228 PolarHBondContact O-N 3.07Å; F179-V228 HydrophobicContact CD1-CB 4.04Å; F179-V228 HydrophobicContact CD1-CG1 4.01Å; F179-V228 HydrophobicContact CE1-CB 4.12Å; F179-V228 HydrophobicContact CE1-CG1 4.04Å; F179-V228 HydrophobicContact CE1-CG2 4.14Å; F179-V228 HydrophobicContact CE2-CG2 4.3Å; F179-V228 HydrophobicContact CG-CB 4.25Å; F179-V228 HydrophobicContact CZ-CB 4.37Å; F179-V228 HydrophobicContact CZ-CG2 3.99Å; L180-V228 PolarHBondContact N-O 3.39Å; V228-A230 HydrophobicContact CG1-CB 4.26Å; V228-T258 WeakPolarHBondContact CA-O 3.47Å; V228-T258 WeakPolarHBondContact CG2-OG1 3.31Å; V228-E260 HydrophobicContact CG1-CB 4.26Å; V228-E260 HydrophobicContact CG1-CG 3.66Å; V228-L284 HydrophobicContact CG1-CD2 4.14Å; V228-L284 HydrophobicContact CG2-CD2 4.07Å; V228-M288 HydrophobicContact CB-CE 4.49Å; V228-M288 HydrophobicContact CG2-CE 3.42Å; V228-M288 VanDerWaalsContact CG2-CE 3.42Å
229V98.9Very high97Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-92.3107.2166-178.40000106.3I227 L250 V257 T258 M259 E260I227-V229 HydrophobicContact CG2-CG2 4.23Å; V229-L250 HydrophobicContact CG2-CD1 4.11Å; V229-V257 HydrophobicContact CG2-CG2 4.01Å; V229-T258 PolarHBondContact N-O 2.78Å; V229-M259 HydrophobicContact CB-SD 3.78Å; V229-M259 HydrophobicContact CG1-CE 4.14Å; V229-M259 HydrophobicContact CG1-SD 3.63Å; V229-M259 CarbonylContact O-C 3.51Å; V229-M259 WeakPolarHBondContact O-CA 3.29Å; V229-E260 PolarHBondContact O-N 2.95Å
230A98.8Very high97.1Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-105.2138.6179.800000109.7L180 V181 S182 V228 E260 I270 L281L180-A230 PolarHBondContact O-N 3.17Å; V181-A230 CarbonylContact C-O 3.57Å; V181-A230 WeakPolarHBondContact CA-O 3.37Å; V181-A230 HydrophobicContact CG1-CB 4.32Å; V181-A230 HydrophobicContact CG2-CB 4.27Å; S182-A230 PolarHBondContact N-O 2.94Å; V228-A230 HydrophobicContact CG1-CB 4.26Å; A230-E260 CarbonylContact C-O 3.58Å; A230-E260 VanDerWaalsContact CA-O 3.31Å; A230-E260 WeakPolarHBondContact CA-O 3.39Å; A230-E260 HydrophobicContact CB-CB 4.09Å; A230-I270 HydrophobicContact CB-CD1 4.44Å; A230-L281 HydrophobicContact CB-CD1 4.24Å; A230-L281 HydrophobicContact CB-CD2 4.14Å
231I98.6Very high97.2Very high0 Ų031.3 Ų31.30%018%0.175CC..EExtended strand (participates in β ladder)trans-135.2142.3178.6-172.559.5000110.1D235 F239 R240 M259 E260 D261 V262 I270I231-D235 HydrophobicContact CD1-CB 3.79Å; I231-D235 WeakPolarHBondContact CD1-OD2 3.42Å; I231-D235 HydrophobicContact CG1-CB 4.35Å; I231-F239 HydrophobicContact CD1-CB 4.34Å; I231-R240 HydrophobicContact CD1-CG 4.21Å; I231-R240 HydrophobicContact CG1-CB 4.31Å; I231-R240 HydrophobicContact CG1-CG 3.76Å; I231-M259 HydrophobicContact CB-CE 3.91Å; I231-M259 HydrophobicContact CG2-CE 3.38Å; I231-E260 PolarHBondContact N-O 2.95Å; I231-D261 HydrophobicContact CG2-CB 4.33Å; I231-V262 PolarHBondContact O-N 2.97Å; I231-I270 VanDerWaalsContact C-CD1 3.5Å
232A98.4Very high97.4Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-73.6139.7174.700000111.2N234 D235 R240 T265 D266 I270A232-N234 PolarHBondContact O-N 2.99Å; A232-D235 HydrophobicContact CB-CB 4.08Å; A232-D235 WeakPolarHBondContact O-CB 3.44Å; A232-D235 PolarHBondContact O-N 3.46Å; A232-D235 VanDerWaalsContact O-N 3.16Å; A232-R240 PolarHBondContact O-NH1 2.91Å; A232-T265 WeakPolarHBondContact CA-OG1 3.47Å; A232-T265 WeakPolarHBondContact CB-OG1 3.4Å; A232-D266 VanDerWaalsContact CB-O 3.31Å; A232-D266 WeakPolarHBondContact CB-O 3.47Å; A232-I270 HydrophobicContact CB-CB 4.13Å; A232-I270 HydrophobicContact CB-CD1 4.09Å; A232-I270 HydrophobicContact CB-CG2 4.29Å
233Q97.3Very high97.7Very high86 Ų8629.5 Ų29.540%0.40216%0.162SC..THydrogen-bonded Turntrans-54.8-41.9176.7-176.8-179.340.800112R240 D261 V262Q233-R240 PolarHBondContact O-NH1 3.03Å; Q233-D261 WeakPolarHBondContact CA-OD1 3.23Å; Q233-V262 WeakPolarHBondContact CB-O 3.49Å; Q233-V262 PolarHBondContact N-O 3.27Å; Q233-V262 VanDerWaalsContact N-O 3.09Å
234N97.4Very high98Very high54 Ų5429.1 Ų29.129%0.28915%0.151SC..THydrogen-bonded Turntrans-105.333.7-178-51.1-81.9000111.8H22 A232 T265 D266H22-N234 PolarHBondContact CE1-ND2 3.05Å; H22-N234 WeakPolarHBondContact ND1-CB 3.44Å; A232-N234 PolarHBondContact O-N 2.99Å; N234-T265 WeakPolarHBondContact CB-O 3.5Å; N234-T265 PolarHBondContact N-O 3.34Å; N234-T265 PolarHBondContact ND2-O 3.07Å; N234-D266 HydrophobicContact CB-CB 4.48Å
235D97.8Very high98.3Very high6 Ų630.5 Ų30.53%0.03214%0.14CC..SBendtrans-73.9166.6165.4-141.9-41000110.9S182 I231 A232 F239 R240 H267S182-D235 VanDerWaalsContact CB-OD2 3.23Å; S182-D235 WeakPolarHBondContact CB-OD2 3.43Å; S182-D235 PolarHBondContact OG-OD2 2.84Å; I231-D235 HydrophobicContact CD1-CB 3.79Å; I231-D235 WeakPolarHBondContact CD1-OD2 3.42Å; I231-D235 HydrophobicContact CG1-CB 4.35Å; A232-D235 HydrophobicContact CB-CB 4.08Å; A232-D235 WeakPolarHBondContact O-CB 3.44Å; A232-D235 PolarHBondContact O-N 3.46Å; A232-D235 VanDerWaalsContact O-N 3.16Å; D235-F239 HydrophobicContact CB-CB 4.48Å; D235-F239 WeakPolarHBondContact OD1-CB 3.48Å; D235-R240 HydrophobicContact CB-CG 4Å; D235-H267 VanDerWaalsContact CG-ND1 3.26Å; D235-H267 IonicContact OD1-CG 3.37Å; D235-H267 IonicContact OD1-ND1 3.34Å; D235-H267 PolarHBondContact OD1-ND1 2.67Å; D235-H267 IonicContact OD2-CE1 2.86Å; D235-H267 IonicContact OD2-CG 2.68Å; D235-H267 IonicContact OD2-ND1 3.89Å; D235-H267 PolarHBondContact OD2-ND1 2.96Å
236S97.4Very high98.3Very high0 Ų030.6 Ų30.60%014%0.141CC..  trans-62.7149.9173.967.30000112.1Q14 E238 F239 R240Q14-S236 WeakPolarHBondContact O-CB 3.14Å; Q14-S236 PolarHBondContact O-OG 2.82Å; S236-E238 VanDerWaalsContact C-N 3.32Å; S236-E238 PolarHBondContact O-N 3.19Å; S236-F239 PolarHBondContact O-N 3.41Å; S236-F239 WeakPolarHBondContact OG-CB 3.47Å; S236-F239 WeakPolarHBondContact OG-CD2 3.44Å; S236-F239 PolarHBondContact OG-N 3.09Å; S236-R240 WeakPolarHBondContact O-CG 2.97Å; S236-R240 PolarHBondContact O-N 3.34Å
237P97.7Very high98.4Very high55 Ų5525.9 Ų25.936%0.35712%0.123SC..Hα-helixtrans-54.2-40178.2-27.232.1000114.7Q14 W20 R240 K241Q14-P237 VanDerWaalsContact OE1-CB 3.32Å; W20-P237 HydrophobicContact CE3-CG 4.41Å; W20-P237 HydrophobicContact CH2-CG 3.46Å; W20-P237 VanDerWaalsContact CH2-CG 3.46Å; W20-P237 HydrophobicContact CZ2-CG 3.88Å; W20-P237 HydrophobicContact CZ3-CG 3.76Å; P237-R240 PolarHBondContact O-N 3.08Å; P237-K241 WeakPolarHBondContact O-CB 3.4Å; P237-K241 PolarHBondContact O-N 2.71Å
238E97.9Very high98.3Very high9 Ų931.4 Ų31.44%0.04215%0.147CC..Hα-helixtrans-71.8-35.4178.9-75.5-62.9140.100112.9Q14 Y15 S236 K241 Q242Q14-E238 HydrophobicContact CB-CB 3.98Å; Q14-E238 HydrophobicContact CB-CG 3.58Å; Q14-E238 HydrophobicContact CG-CG 3.93Å; Y15-E238 HydrophobicContact CE1-CB 4.25Å; Y15-E238 HydrophobicContact CE2-CB 4.24Å; Y15-E238 HydrophobicContact CE2-CG 4.24Å; S236-E238 VanDerWaalsContact C-N 3.32Å; S236-E238 PolarHBondContact O-N 3.19Å; E238-K241 PolarHBondContact O-N 3.49Å; E238-K241 IonicContact OE1-NZ 3.09Å; E238-K241 PolarHBondContact OE1-NZ 2.87Å; E238-K241 IonicContact OE2-NZ 3.98Å; E238-K241 PolarHBondContact OE2-NZ 2.91Å; E238-Q242 WeakPolarHBondContact O-CB 3.3Å; E238-Q242 WeakPolarHBondContact O-CG 3.3Å; E238-Q242 PolarHBondContact O-N 3.43Å
239F98.4Very high98.3Very high1 Ų134.1 Ų34.10%0.00416%0.164CC..Hα-helixtrans-66.5-38.8172.5-87.5-96.9000112.1Y15 P17 Y86 S182 G183 I184 I231 D235 S236 S243 H267Y15-F239 HydrophobicContact CD1-CD2 4.45Å; Y15-F239 HydrophobicContact CD1-CE2 4.01Å; P17-F239 HydrophobicContact CG-CD2 3.97Å; P17-F239 HydrophobicContact CG-CE2 3.52Å; P17-F239 HydrophobicContact CG-CZ 3.92Å; Y86-F239 HydrophobicContact CE1-CZ 4.47Å; Y86-F239 AromaticContact CZ-CZ 3.9Å; Y86-F239 WeakPolarHBondContact OH-CE2 3.46Å; Y86-F239 VanDerWaalsContact OH-CZ 3.31Å; Y86-F239 WeakPolarHBondContact OH-CZ 2.99Å; S182-F239 WeakPolarHBondContact O-CD1 3.27Å; S182-F239 VanDerWaalsContact O-CE1 3.32Å; S182-F239 WeakPolarHBondContact O-CE1 3.45Å; G183-F239 WeakPolarHBondContact O-CD1 3.31Å; I184-F239 HydrophobicContact CB-CE1 4.34Å; I231-F239 HydrophobicContact CD1-CB 4.34Å; D235-F239 HydrophobicContact CB-CB 4.48Å; D235-F239 WeakPolarHBondContact OD1-CB 3.48Å; S236-F239 PolarHBondContact O-N 3.41Å; S236-F239 WeakPolarHBondContact OG-CB 3.47Å; S236-F239 WeakPolarHBondContact OG-CD2 3.44Å; S236-F239 PolarHBondContact OG-N 3.09Å; F239-S243 WeakPolarHBondContact O-CB 3.32Å; F239-S243 PolarHBondContact O-N 3.2Å; F239-S243 VanDerWaalsContact O-N 3.07Å; F239-S243 PolarHBondContact O-OG 3.46Å; F239-H267 AromaticContact CD1-CE1 3.56Å; F239-H267 AromaticContact CE1-CE1 3.39Å; F239-H267 WeakPolarHBondContact CE1-CE1 3.47Å; F239-H267 AromaticContact CZ-CE1 3.87Å
240R98.5Very high98.3Very high48 Ų4834.1 Ų34.118%0.18116%0.164CC..Hα-helixtrans-62.1-50.7173.6-67.4-170.759.186.31.9111.5I231 A232 Q233 D235 S236 P237 Q242 S243 E244 D261I231-R240 HydrophobicContact CD1-CG 4.21Å; I231-R240 HydrophobicContact CG1-CB 4.31Å; I231-R240 HydrophobicContact CG1-CG 3.76Å; A232-R240 PolarHBondContact O-NH1 2.91Å; Q233-R240 PolarHBondContact O-NH1 3.03Å; D235-R240 HydrophobicContact CB-CG 4Å; S236-R240 WeakPolarHBondContact O-CG 2.97Å; S236-R240 PolarHBondContact O-N 3.34Å; P237-R240 PolarHBondContact O-N 3.08Å; R240-Q242 PolarHBondContact O-N 3.23Å; R240-S243 PolarHBondContact O-N 2.61Å; R240-E244 IonicContact NH2-OE1 3.04Å; R240-E244 WeakPolarHBondContact O-CG 3.43Å; R240-E244 PolarHBondContact O-N 3.24Å; R240-D261 IonicContact CZ-OD1 2.95Å; R240-D261 IonicContact CZ-OD2 3.81Å; R240-D261 IonicContact NH1-OD1 3.61Å; R240-D261 PolarHBondContact NH1-OD1 3.35Å; R240-D261 IonicContact NH1-OD2 3.19Å; R240-D261 PolarHBondContact NH1-OD2 2.93Å; R240-D261 IonicContact NH2-OD1 3.85Å; R240-D261 IonicContact NH2-OD2 3.63Å; R240-D261 PolarHBondContact NH2-OD2 2.68Å
241K98.4Very high98.3Very high57 Ų5738.9 Ų38.925%0.24819%0.186CC..Hα-helixtrans-58-49.4178.4178.6-177.2160.1-150.40112.1P237 E238 S243 E244 E245P237-K241 WeakPolarHBondContact O-CB 3.4Å; P237-K241 PolarHBondContact O-N 2.71Å; E238-K241 PolarHBondContact O-N 3.49Å; E238-K241 IonicContact OE1-NZ 3.09Å; E238-K241 PolarHBondContact OE1-NZ 2.87Å; E238-K241 IonicContact OE2-NZ 3.98Å; E238-K241 PolarHBondContact OE2-NZ 2.91Å; K241-S243 VanDerWaalsContact C-N 3.3Å; K241-S243 PolarHBondContact O-N 3.27Å; K241-E244 PolarHBondContact O-N 3.05Å; K241-E245 WeakPolarHBondContact CE-OE1 3.41Å; K241-E245 HydrophobicContact CG-CG 4.34Å; K241-E245 WeakPolarHBondContact CG-OE1 3.48Å; K241-E245 WeakPolarHBondContact O-CB 3.33Å; K241-E245 WeakPolarHBondContact O-CG 3.42Å; K241-E245 PolarHBondContact O-N 3.09Å
242Q98.6Very high98.3Very high6 Ų643.1 Ų43.13%0.02822%0.221CC..Hα-helixtrans-62.6-37.6178.8-74.3-157.221.200112.4Y15 I184 Y185 D186 E238 R240 Y246Y15-Q242 PolarHBondContact OH-NE2 2.85Å; I184-Q242 VanDerWaalsContact CG1-OE1 3.23Å; Y185-Q242 HydrophobicContact CD2-CB 4.3Å; Y185-Q242 WeakPolarHBondContact CD2-O 3.19Å; D186-Q242 PolarHBondContact O-NE2 3.44Å; D186-Q242 PolarHBondContact O-OE1 3.06Å; E238-Q242 WeakPolarHBondContact O-CB 3.3Å; E238-Q242 WeakPolarHBondContact O-CG 3.3Å; E238-Q242 PolarHBondContact O-N 3.43Å; R240-Q242 PolarHBondContact O-N 3.23Å; Q242-Y246 VanDerWaalsContact O-CB 3.23Å; Q242-Y246 WeakPolarHBondContact O-CB 3.38Å; Q242-Y246 PolarHBondContact O-N 3.02Å
243S98.8Very high98.3Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-65.3-44.5176.1-590000111.7F239 R240 K241 Y246 Y247F239-S243 WeakPolarHBondContact O-CB 3.32Å; F239-S243 PolarHBondContact O-N 3.2Å; F239-S243 VanDerWaalsContact O-N 3.07Å; F239-S243 PolarHBondContact O-OG 3.46Å; R240-S243 PolarHBondContact O-N 2.61Å; K241-S243 VanDerWaalsContact C-N 3.3Å; K241-S243 PolarHBondContact O-N 3.27Å; S243-Y246 PolarHBondContact O-N 2.98Å; S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.37Å; S243-Y247 PolarHBondContact O-N 3.27Å
244E98.7Very high98.3Very high74 Ų7443.1 Ų43.135%0.34624%0.242SC..Hα-helixtrans-64.5-42.8176-70.8174.1-160.500112.6R240 K241 K248 M259R240-E244 IonicContact NH2-OE1 3.04Å; R240-E244 WeakPolarHBondContact O-CG 3.43Å; R240-E244 PolarHBondContact O-N 3.24Å; K241-E244 PolarHBondContact O-N 3.05Å; E244-K248 VanDerWaalsContact O-CG 3.29Å; E244-K248 WeakPolarHBondContact O-CG 3.3Å; E244-K248 PolarHBondContact O-N 3.39Å; E244-M259 HydrophobicContact CG-CE 4.22Å
245E98.6Very high98.3Very high94 Ų9441.2 Ų41.244%0.43923%0.231SC..Hα-helixtrans-66-42.5177.6-74.2173.6171.100111.4K241 K248 T249K241-E245 WeakPolarHBondContact CE-OE1 3.41Å; K241-E245 HydrophobicContact CG-CG 4.34Å; K241-E245 WeakPolarHBondContact CG-OE1 3.48Å; K241-E245 WeakPolarHBondContact O-CB 3.33Å; K241-E245 WeakPolarHBondContact O-CG 3.42Å; K241-E245 PolarHBondContact O-N 3.09Å; E245-K248 PolarHBondContact O-N 3.02Å; E245-T249 WeakPolarHBondContact O-CB 3.37Å; E245-T249 PolarHBondContact O-N 3.23Å; E245-T249 PolarHBondContact O-OG1 3.12Å
246Y98.8Very high98.4Very high3 Ų345 Ų451%0.01226%0.255CS..Hα-helixtrans-66.6-44.7176.9-167.1-123.3000111.3A159 L180 Y185 P211 V215 Q242 S243 K248 T249 L250A159-Y246 HydrophobicContact CB-CE1 4.29Å; L180-Y246 HydrophobicContact CD1-CD1 4.43Å; L180-Y246 HydrophobicContact CD1-CE1 3.78Å; Y185-Y246 AromaticContact CD1-CD1 3.39Å; Y185-Y246 HydrophobicContact CD1-CD1 3.39Å; Y185-Y246 HydrophobicContact CD1-CD2 4.33Å; Y185-Y246 AromaticContact CD1-CE1 3.57Å; Y185-Y246 HydrophobicContact CD1-CE1 3.57Å; Y185-Y246 HydrophobicContact CD1-CE2 4.5Å; Y185-Y246 AromaticContact CD1-CG 3.8Å; Y185-Y246 HydrophobicContact CD1-CG 3.8Å; Y185-Y246 VanDerWaalsContact CD2-CB 3.5Å; Y185-Y246 AromaticContact CD2-CD1 3.9Å; Y185-Y246 HydrophobicContact CD2-CD1 3.9Å; Y185-Y246 AromaticContact CD2-CG 3.82Å; Y185-Y246 HydrophobicContact CD2-CG 3.82Å; Y185-Y246 AromaticContact CE1-CD1 3.52Å; Y185-Y246 HydrophobicContact CE1-CD1 3.52Å; Y185-Y246 AromaticContact CE1-CE1 3.71Å; Y185-Y246 HydrophobicContact CE1-CE1 3.71Å; Y185-Y246 HydrophobicContact CE1-CG 4.32Å; Y185-Y246 HydrophobicContact CE2-CD1 4.03Å; Y185-Y246 HydrophobicContact CE2-CG 4.35Å; Y185-Y246 AromaticContact CG-CD1 3.58Å; Y185-Y246 HydrophobicContact CG-CD1 3.58Å; Y185-Y246 HydrophobicContact CG-CD2 4.06Å; Y185-Y246 HydrophobicContact CG-CE1 4.18Å; Y185-Y246 AromaticContact CG-CG 3.5Å; Y185-Y246 HydrophobicContact CG-CG 3.5Å; Y185-Y246 AromaticContact CZ-CD1 3.83Å; P211-Y246 HydrophobicContact CB-CE2 3.98Å; V215-Y246 HydrophobicContact CG2-CE2 3.81Å; Q242-Y246 VanDerWaalsContact O-CB 3.23Å; Q242-Y246 WeakPolarHBondContact O-CB 3.38Å; Q242-Y246 PolarHBondContact O-N 3.02Å; S243-Y246 PolarHBondContact O-N 2.98Å; Y246-K248 PolarHBondContact O-N 3.44Å; Y246-T249 PolarHBondContact O-N 2.88Å; Y246-T249 VanDerWaalsContact O-N 3.14Å; Y246-L250 HydrophobicContact CD1-CD1 3.82Å; Y246-L250 HydrophobicContact CD1-CG 4.33Å; Y246-L250 HydrophobicContact CE1-CD1 3.63Å; Y246-L250 HydrophobicContact CE1-CD2 4.25Å; Y246-L250 HydrophobicContact CE1-CG 4.15Å; Y246-L250 HydrophobicContact CE2-CD2 4.18Å; Y246-L250 HydrophobicContact CE2-CG 4.38Å; Y246-L250 HydrophobicContact CG-CD1 4.46Å; Y246-L250 VanDerWaalsContact O-CG 3.31Å; Y246-L250 WeakPolarHBondContact O-CG 3.44Å; Y246-L250 PolarHBondContact O-N 3.5Å
247Y98.8Very high98.4Very high47 Ų4745.8 Ų45.818%0.18426%0.26CS..Hα-helixtrans-51.3-53.5172.4166.5-95.5000111.8S243 T249 L250 E251 V257 M259S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.37Å; S243-Y247 PolarHBondContact O-N 3.27Å; Y247-T249 VanDerWaalsContact C-N 3.26Å; Y247-T249 PolarHBondContact O-N 3.18Å; Y247-L250 PolarHBondContact O-N 3.28Å; Y247-E251 WeakPolarHBondContact O-CB 3.47Å; Y247-E251 PolarHBondContact O-N 3.27Å; Y247-E251 PolarHBondContact OH-OE1 3.15Å; Y247-V257 HydrophobicContact CD2-CB 4.49Å; Y247-V257 HydrophobicContact CD2-CG1 4.04Å; Y247-V257 HydrophobicContact CD2-CG2 3.73Å; Y247-V257 HydrophobicContact CE2-CB 4.48Å; Y247-V257 HydrophobicContact CE2-CG1 3.85Å; Y247-V257 HydrophobicContact CE2-CG2 4.13Å; Y247-M259 HydrophobicContact CD1-CB 4.36Å; Y247-M259 HydrophobicContact CD2-CB 3.65Å; Y247-M259 HydrophobicContact CD2-CG 4.5Å; Y247-M259 HydrophobicContact CD2-SD 4.27Å; Y247-M259 HydrophobicContact CE2-CB 3.81Å; Y247-M259 HydrophobicContact CG-CB 3.95Å; Y247-M259 HydrophobicContact CG-CG 4.41Å; Y247-M259 HydrophobicContact CG-SD 3.98Å
248K98.8Very high98.5Very high118 Ų11846.3 Ų46.351%0.51326%0.262SS..Hα-helixtrans-60.5-37.4179.8-72.4170.2-172.31660111.9E244 E245 Y246 A252E244-K248 VanDerWaalsContact O-CG 3.29Å; E244-K248 WeakPolarHBondContact O-CG 3.3Å; E244-K248 PolarHBondContact O-N 3.39Å; E245-K248 PolarHBondContact O-N 3.02Å; Y246-K248 PolarHBondContact O-N 3.44Å; K248-A252 VanDerWaalsContact O-CB 3.23Å; K248-A252 WeakPolarHBondContact O-CB 3.22Å; K248-A252 PolarHBondContact O-N 2.95Å
249T98.6Very high98.5Very high59 Ų5948.3 Ų48.336%0.36227%0.272SS..Hα-helixtrans-67.7-41.6178.4-53.60000111.5V215 E245 Y246 Y247 A253V215-T249 HydrophobicContact CB-CG2 4.24Å; V215-T249 HydrophobicContact CG1-CG2 4.42Å; V215-T249 HydrophobicContact CG2-CG2 3.72Å; E245-T249 WeakPolarHBondContact O-CB 3.37Å; E245-T249 PolarHBondContact O-N 3.23Å; E245-T249 PolarHBondContact O-OG1 3.12Å; Y246-T249 PolarHBondContact O-N 2.88Å; Y246-T249 VanDerWaalsContact O-N 3.14Å; Y247-T249 VanDerWaalsContact C-N 3.26Å; Y247-T249 PolarHBondContact O-N 3.18Å; T249-A253 WeakPolarHBondContact O-CB 3.35Å; T249-A253 PolarHBondContact O-N 2.8Å; T249-A253 VanDerWaalsContact O-N 3.12Å
250L98.7Very high98.5Very high0 Ų050.4 Ų50.40%028%0.282CS..Hα-helixtrans-65.4-44.8175.2-64.4174.1000111.5V215 L218 I227 V229 Y246 Y247 A253 G254 L255 V257V215-L250 HydrophobicContact CG1-CD2 4.14Å; V215-L250 HydrophobicContact CG2-CD2 3.98Å; L218-L250 HydrophobicContact CD1-CD2 3.88Å; I227-L250 HydrophobicContact CD1-CD1 4.26Å; I227-L250 HydrophobicContact CG2-CD1 4.07Å; V229-L250 HydrophobicContact CG2-CD1 4.11Å; Y246-L250 HydrophobicContact CD1-CD1 3.82Å; Y246-L250 HydrophobicContact CD1-CG 4.33Å; Y246-L250 HydrophobicContact CE1-CD1 3.63Å; Y246-L250 HydrophobicContact CE1-CD2 4.25Å; Y246-L250 HydrophobicContact CE1-CG 4.15Å; Y246-L250 HydrophobicContact CE2-CD2 4.18Å; Y246-L250 HydrophobicContact CE2-CG 4.38Å; Y246-L250 HydrophobicContact CG-CD1 4.46Å; Y246-L250 VanDerWaalsContact O-CG 3.31Å; Y246-L250 WeakPolarHBondContact O-CG 3.44Å; Y246-L250 PolarHBondContact O-N 3.5Å; Y247-L250 PolarHBondContact O-N 3.28Å; L250-A253 WeakPolarHBondContact O-CB 3.31Å; L250-A253 PolarHBondContact O-N 2.68Å; L250-G254 PolarHBondContact O-N 2.86Å; L250-L255 HydrophobicContact CB-CB 4.49Å; L250-L255 HydrophobicContact CB-CD1 4.14Å; L250-L255 HydrophobicContact CD2-CD1 3.5Å; L250-L255 HydrophobicContact CG-CD1 4.42Å; L250-L255 WeakPolarHBondContact O-CB 3.42Å; L250-L255 PolarHBondContact O-N 2.98Å; L250-V257 HydrophobicContact CB-CB 4.2Å; L250-V257 HydrophobicContact CB-CG1 4Å; L250-V257 HydrophobicContact CB-CG2 4.25Å; L250-V257 HydrophobicContact CD1-CG2 3.95Å
251E98.5Very high98.5Very high100 Ų10052 Ų5247%0.46729%0.294SS..Hα-helixtrans-61-48.6177.9-175.9-179.4-120.900111Y247 A253 G254 V257Y247-E251 WeakPolarHBondContact O-CB 3.47Å; Y247-E251 PolarHBondContact O-N 3.27Å; Y247-E251 PolarHBondContact OH-OE1 3.15Å; E251-A253 PolarHBondContact O-N 3.21Å; E251-G254 WeakPolarHBondContact O-CA 3.34Å; E251-G254 PolarHBondContact O-N 3.22Å; E251-V257 HydrophobicContact CB-CG1 3.84Å
252A98.2Very high98.5Very high89 Ų8949.6 Ų49.674%0.73628%0.284SS*.Hα-helixtrans-62.2-28.217700000113K248 G254K248-A252 VanDerWaalsContact O-CB 3.23Å; K248-A252 WeakPolarHBondContact O-CB 3.22Å; K248-A252 PolarHBondContact O-N 2.95Å; A252-G254 PolarHBondContact O-N 3.12Å
253A97.8Very high98.4Very high22 Ų2252.2 Ų52.218%0.18231%0.307CS..THydrogen-bonded Turntrans-75.7-7.4173.400000113.4V215 K219 T249 L250 E251 L255V215-A253 HydrophobicContact CG1-CB 3.48Å; V215-A253 VanDerWaalsContact CG1-CB 3.48Å; K219-A253 WeakPolarHBondContact CD-O 3.03Å; K219-A253 WeakPolarHBondContact CE-O 3.44Å; K219-A253 PolarHBondContact NZ-O 2.95Å; T249-A253 WeakPolarHBondContact O-CB 3.35Å; T249-A253 PolarHBondContact O-N 2.8Å; T249-A253 VanDerWaalsContact O-N 3.12Å; L250-A253 WeakPolarHBondContact O-CB 3.31Å; L250-A253 PolarHBondContact O-N 2.68Å; E251-A253 PolarHBondContact O-N 3.21Å; A253-L255 HydrophobicContact CB-CD1 4.29Å
254G97.8Very high98.2Very high64 Ų6458.3 Ų58.366%0.6634%0.34SS*.THydrogen-bonded Turntrans80.223.8-179.300000113.9L250 E251 A252L250-G254 PolarHBondContact O-N 2.86Å; E251-G254 WeakPolarHBondContact O-CA 3.34Å; E251-G254 PolarHBondContact O-N 3.22Å; A252-G254 PolarHBondContact O-N 3.12Å
255L98.4Very high98.2Very high13 Ų1354.9 Ų54.97%0.06832%0.323CS..  trans-79.5152.9174.4-69.6158.5000110.6V215 L218 K219 L250 A253 V257V215-L255 HydrophobicContact CG1-CD1 4.11Å; L218-L255 HydrophobicContact CD2-CD1 3.54Å; L218-L255 HydrophobicContact CD2-CD2 3.59Å; L218-L255 HydrophobicContact CD2-CG 4.22Å; K219-L255 HydrophobicContact CB-CD2 4.47Å; L250-L255 HydrophobicContact CB-CB 4.49Å; L250-L255 HydrophobicContact CB-CD1 4.14Å; L250-L255 HydrophobicContact CD2-CD1 3.5Å; L250-L255 HydrophobicContact CG-CD1 4.42Å; L250-L255 WeakPolarHBondContact O-CB 3.42Å; L250-L255 PolarHBondContact O-N 2.98Å; A253-L255 HydrophobicContact CB-CD1 4.29Å; L255-V257 PolarHBondContact O-N 3.34Å
256T98.3Very high98.1Very high85 Ų8550.4 Ų50.452%0.52130%0.302SS..  trans-77.894.4173.4-580000108.7R226 I227R226-T256 HydrophobicContact CB-CG2 4.48Å; R226-T256 HydrophobicContact CG-CG2 4.05Å; I227-T256 PolarHBondContact N-O 3.37Å
257V98.8Very high98.1Very high17 Ų1750.5 Ų50.510%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-127.2147.4-177.166.50000111.5I227 V229 Y247 L250 E251 L255I227-V257 HydrophobicContact CB-CB 4.28Å; I227-V257 HydrophobicContact CB-CG2 4.02Å; I227-V257 HydrophobicContact CG2-CG2 4.03Å; I227-V257 CarbonylContact O-C 3.56Å; I227-V257 VanDerWaalsContact O-CA 3.24Å; I227-V257 WeakPolarHBondContact O-CA 3.41Å; V229-V257 HydrophobicContact CG2-CG2 4.01Å; Y247-V257 HydrophobicContact CD2-CB 4.49Å; Y247-V257 HydrophobicContact CD2-CG1 4.04Å; Y247-V257 HydrophobicContact CD2-CG2 3.73Å; Y247-V257 HydrophobicContact CE2-CB 4.48Å; Y247-V257 HydrophobicContact CE2-CG1 3.85Å; Y247-V257 HydrophobicContact CE2-CG2 4.13Å; L250-V257 HydrophobicContact CB-CB 4.2Å; L250-V257 HydrophobicContact CB-CG1 4Å; L250-V257 HydrophobicContact CB-CG2 4.25Å; L250-V257 HydrophobicContact CD1-CG2 3.95Å; E251-V257 HydrophobicContact CB-CG1 3.84Å; L255-V257 PolarHBondContact O-N 3.34Å
258T98.6Very high98.1Very high66 Ų6649.2 Ų49.241%0.40530%0.299SS..EExtended strand (participates in β ladder)trans-132147.717247.60000109.6I227 V228 V229I227-T258 PolarHBondContact O-N 3.11Å; I227-T258 PolarHBondContact O-OG1 2.98Å; V228-T258 WeakPolarHBondContact CA-O 3.47Å; V228-T258 WeakPolarHBondContact CG2-OG1 3.31Å; V229-T258 PolarHBondContact N-O 2.78Å
259M98.4Very high98.1Very high51 Ų5144 Ų4425%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-105.4130.8174.5-16975.7-174.100109.4V229 I231 E244 Y247V229-M259 HydrophobicContact CB-SD 3.78Å; V229-M259 HydrophobicContact CG1-CE 4.14Å; V229-M259 HydrophobicContact CG1-SD 3.63Å; V229-M259 CarbonylContact O-C 3.51Å; V229-M259 WeakPolarHBondContact O-CA 3.29Å; I231-M259 HydrophobicContact CB-CE 3.91Å; I231-M259 HydrophobicContact CG2-CE 3.38Å; E244-M259 HydrophobicContact CG-CE 4.22Å; Y247-M259 HydrophobicContact CD1-CB 4.36Å; Y247-M259 HydrophobicContact CD2-CB 3.65Å; Y247-M259 HydrophobicContact CD2-CG 4.5Å; Y247-M259 HydrophobicContact CD2-SD 4.27Å; Y247-M259 HydrophobicContact CE2-CB 3.81Å; Y247-M259 HydrophobicContact CG-CB 3.95Å; Y247-M259 HydrophobicContact CG-CG 4.41Å; Y247-M259 HydrophobicContact CG-SD 3.98Å
260E98.5Very high98.1Very high45 Ų4541.1 Ų41.121%0.2126%0.259CS..EExtended strand (participates in β ladder)trans-119.1108.6176.2-66.7-69157.600109.4V228 V229 A230 I231 V262 H280 L281 L284V228-E260 HydrophobicContact CG1-CB 4.26Å; V228-E260 HydrophobicContact CG1-CG 3.66Å; V229-E260 PolarHBondContact O-N 2.95Å; A230-E260 CarbonylContact C-O 3.58Å; A230-E260 VanDerWaalsContact CA-O 3.31Å; A230-E260 WeakPolarHBondContact CA-O 3.39Å; A230-E260 HydrophobicContact CB-CB 4.09Å; I231-E260 PolarHBondContact N-O 2.95Å; E260-V262 HydrophobicContact CB-CG2 4.4Å; E260-H280 IonicContact OE2-CD2 3.66Å; E260-H280 IonicContact OE2-CE1 2.73Å; E260-H280 IonicContact OE2-NE2 3.72Å; E260-H280 PolarHBondContact OE2-NE2 3.08Å; E260-L281 HydrophobicContact CB-CD2 4.33Å; E260-L284 HydrophobicContact CG-CD2 3.79Å
261D98Very high98.1Very high81 Ų8141.1 Ų41.143%0.43326%0.259SS..EExtended strand (participates in β ladder)trans-92.3102.8171.4-167.4-5.7000109.2I231 Q233 R240 A263I231-D261 HydrophobicContact CG2-CB 4.33Å; Q233-D261 WeakPolarHBondContact CA-OD1 3.23Å; R240-D261 IonicContact CZ-OD1 2.95Å; R240-D261 IonicContact CZ-OD2 3.81Å; R240-D261 IonicContact NH1-OD1 3.61Å; R240-D261 PolarHBondContact NH1-OD1 3.35Å; R240-D261 IonicContact NH1-OD2 3.19Å; R240-D261 PolarHBondContact NH1-OD2 2.93Å; R240-D261 IonicContact NH2-OD1 3.85Å; R240-D261 IonicContact NH2-OD2 3.63Å; R240-D261 PolarHBondContact NH2-OD2 2.68Å; D261-A263 PolarHBondContact O-N 3.22Å
262V98.3Very high98Very high8 Ų837.7 Ų37.75%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-88.3106.2-165.8-169.90000110.4I231 Q233 E260 T265 I270 Y279 L281I231-V262 PolarHBondContact O-N 2.97Å; Q233-V262 WeakPolarHBondContact CB-O 3.49Å; Q233-V262 PolarHBondContact N-O 3.27Å; Q233-V262 VanDerWaalsContact N-O 3.09Å; E260-V262 HydrophobicContact CB-CG2 4.4Å; V262-T265 HydrophobicContact CB-CG2 4.42Å; V262-T265 HydrophobicContact CG1-CG2 3.73Å; V262-T265 PolarHBondContact O-OG1 3.3Å; V262-I270 HydrophobicContact CB-CD1 3.96Å; V262-I270 HydrophobicContact CB-CG1 4.28Å; V262-I270 HydrophobicContact CG2-CD1 3.73Å; V262-I270 HydrophobicContact CG2-CG1 4.22Å; V262-Y279 HydrophobicContact CG1-CE2 4.3Å; V262-Y279 WeakPolarHBondContact CG1-OH 3.46Å; V262-L281 HydrophobicContact CG2-CD1 4.05Å; V262-L281 HydrophobicContact CG2-CD2 3.96Å; V262-L281 HydrophobicContact CG2-CG 4.09Å
263A96.6Very high97.9Very high61 Ų6136.8 Ų36.850%0.50422%0.224SC..THydrogen-bonded Turntrans-57.2147-178.300000113.1D261 T265D261-A263 PolarHBondContact O-N 3.22Å; A263-T265 PolarHBondContact O-N 3.04Å; A263-T265 VanDerWaalsContact O-N 3.1Å
264N94.9Very high97.9Very high128 Ų12836 Ų3668%0.68422%0.216SC*.THydrogen-bonded Turntrans56.524.2175.3-54.3-43.3000114.7
265T98Very high97.9Very high1 Ų134.6 Ų34.61%0.00620%0.195CC..  trans-113.5154.3173.162.90000110.8A232 N234 V262 A263 I270A232-T265 WeakPolarHBondContact CA-OG1 3.47Å; A232-T265 WeakPolarHBondContact CB-OG1 3.4Å; N234-T265 WeakPolarHBondContact CB-O 3.5Å; N234-T265 PolarHBondContact N-O 3.34Å; N234-T265 PolarHBondContact ND2-O 3.07Å; V262-T265 HydrophobicContact CB-CG2 4.42Å; V262-T265 HydrophobicContact CG1-CG2 3.73Å; V262-T265 PolarHBondContact O-OG1 3.3Å; A263-T265 PolarHBondContact O-N 3.04Å; A263-T265 VanDerWaalsContact O-N 3.1Å; T265-I270 HydrophobicContact CG2-CB 4.34Å
266D98.4Very high97.8Very high0 Ų037.8 Ų37.80%021%0.212CC..  trans-110178.2161.163.720.8000109.5S21 R23 A232 N234 F268 S269 I270S21-D266 WeakPolarHBondContact CB-OD2 3.49Å; S21-D266 PolarHBondContact OG-OD2 3.48Å; R23-D266 IonicContact CZ-OD1 3.74Å; R23-D266 IonicContact CZ-OD2 3.69Å; R23-D266 IonicContact NE-OD1 2.84Å; R23-D266 PolarHBondContact NE-OD1 3.37Å; R23-D266 IonicContact NE-OD2 3.92Å; R23-D266 PolarHBondContact NE-OD2 3.23Å; R23-D266 IonicContact NH2-OD1 3.49Å; R23-D266 PolarHBondContact NH2-OD1 2.98Å; R23-D266 VanDerWaalsContact NH2-OD1 3.14Å; R23-D266 IonicContact NH2-OD2 3.34Å; A232-D266 VanDerWaalsContact CB-O 3.31Å; A232-D266 WeakPolarHBondContact CB-O 3.47Å; N234-D266 HydrophobicContact CB-CB 4.48Å; D266-F268 PolarHBondContact O-N 3.34Å; D266-F268 PolarHBondContact OD1-N 3.16Å; D266-F268 VanDerWaalsContact OD1-N 3.09Å; D266-S269 PolarHBondContact N-OG 2.67Å; D266-S269 PolarHBondContact O-N 2.83Å; D266-S269 WeakPolarHBondContact OD1-CB 3.44Å; D266-S269 PolarHBondContact OD1-N 3.29Å; D266-S269 PolarHBondContact OD1-OG 3.1Å; D266-I270 WeakPolarHBondContact O-CG2 3.37Å; D266-I270 PolarHBondContact O-N 2.93Å; D266-I270 VanDerWaalsContact O-N 3.16Å
267H98.6Very high97.7Very high6 Ų635.1 Ų35.13%0.02820%0.201CC..THydrogen-bonded Turntrans-51.4-23.7-178.1-166.891000114.3P17 H151 S152 S182 D235 F239 I270P17-H267 HydrophobicContact CB-CB 3.45Å; P17-H267 VanDerWaalsContact CB-CB 3.45Å; P17-H267 HydrophobicContact CG-CB 4.44Å; H151-H267 AromaticContact CE1-CD2 3.94Å; H151-H267 PolarHBondContact CE1-O 2.91Å; H151-H267 AromaticContact NE2-CD2 3.74Å; H151-H267 AromaticContact NE2-NE2 3.8Å; H151-H267 PolarHBondContact NE2-O 3.27Å; S152-H267 VanDerWaalsContact CB-NE2 3.28Å; S152-H267 WeakPolarHBondContact CB-NE2 3.46Å; S152-H267 PolarHBondContact OG-NE2 3.26Å; S182-H267 PolarHBondContact O-CE1 3.32Å; D235-H267 VanDerWaalsContact CG-ND1 3.26Å; D235-H267 IonicContact OD1-CG 3.37Å; D235-H267 IonicContact OD1-ND1 3.34Å; D235-H267 PolarHBondContact OD1-ND1 2.67Å; D235-H267 IonicContact OD2-CE1 2.86Å; D235-H267 IonicContact OD2-CG 2.68Å; D235-H267 IonicContact OD2-ND1 3.89Å; D235-H267 PolarHBondContact OD2-ND1 2.96Å; F239-H267 AromaticContact CD1-CE1 3.56Å; F239-H267 AromaticContact CE1-CE1 3.39Å; F239-H267 WeakPolarHBondContact CE1-CE1 3.47Å; F239-H267 AromaticContact CZ-CE1 3.87Å; H267-I270 WeakPolarHBondContact O-CG2 3.43Å
268F98.6Very high97.7Very high20 Ų2039.8 Ų39.89%0.08823%0.226CC..THydrogen-bonded Turntrans-100.4-50.5-175.2-55.2-88.9000111.1P17 V29 I30 H33 D266 I270 I271 E272P17-F268 HydrophobicContact CB-CE2 4.4Å; V29-F268 HydrophobicContact CG1-CD2 4.13Å; V29-F268 HydrophobicContact CG1-CE2 3.77Å; V29-F268 HydrophobicContact CG1-CZ 4.17Å; V29-F268 HydrophobicContact CG2-CB 4.24Å; V29-F268 HydrophobicContact CG2-CD2 3.56Å; V29-F268 HydrophobicContact CG2-CE2 4.09Å; V29-F268 HydrophobicContact CG2-CG 3.94Å; I30-F268 HydrophobicContact CG1-CE1 4.2Å; I30-F268 HydrophobicContact CG1-CZ 4.19Å; H33-F268 HydrophobicContact CB-CB 4.14Å; H33-F268 HydrophobicContact CB-CD1 3.76Å; H33-F268 HydrophobicContact CB-CG 4.28Å; H33-F268 AromaticContact CD2-CD1 3.78Å; H33-F268 AromaticContact CG-CD1 3.58Å; H33-F268 AromaticContact ND1-CD1 3.96Å; D266-F268 PolarHBondContact O-N 3.34Å; D266-F268 PolarHBondContact OD1-N 3.16Å; D266-F268 VanDerWaalsContact OD1-N 3.09Å; F268-I270 PolarHBondContact O-N 3.06Å; F268-I271 WeakPolarHBondContact O-CG2 3.45Å; F268-I271 PolarHBondContact O-N 2.96Å; F268-E272 VanDerWaalsContact C-OE1 3.32Å; F268-E272 VanDerWaalsContact CB-OE1 3.23Å; F268-E272 WeakPolarHBondContact CB-OE1 3.32Å; F268-E272 WeakPolarHBondContact O-CG 3.42Å; F268-E272 PolarHBondContact O-N 3.41Å
269S98.1Very high97.6Very high7 Ų737.6 Ų37.65%0.04921%0.21CC..Hα-helixtrans-66.1-21.4-17847.70000114.1D266 I271 Q273D266-S269 PolarHBondContact N-OG 2.67Å; D266-S269 PolarHBondContact O-N 2.83Å; D266-S269 WeakPolarHBondContact OD1-CB 3.44Å; D266-S269 PolarHBondContact OD1-N 3.29Å; D266-S269 PolarHBondContact OD1-OG 3.1Å; S269-I271 PolarHBondContact O-N 2.99Å; S269-Q273 WeakPolarHBondContact O-CG 3.5Å; S269-Q273 PolarHBondContact O-N 2.95Å; S269-Q273 PolarHBondContact O-NE2 3.4Å
270I98.4Very high97.5Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-59.4-35.9174.4-172.7167.5000112.3V181 A230 I231 A232 V262 T265 D266 H267 F268 Y279 L281V181-I270 HydrophobicContact CG1-CB 4.45Å; V181-I270 HydrophobicContact CG1-CD1 3.61Å; V181-I270 HydrophobicContact CG1-CG1 3.74Å; V181-I270 HydrophobicContact CG1-CG2 3.89Å; A230-I270 HydrophobicContact CB-CD1 4.44Å; I231-I270 VanDerWaalsContact C-CD1 3.5Å; A232-I270 HydrophobicContact CB-CB 4.13Å; A232-I270 HydrophobicContact CB-CD1 4.09Å; A232-I270 HydrophobicContact CB-CG2 4.29Å; V262-I270 HydrophobicContact CB-CD1 3.96Å; V262-I270 HydrophobicContact CB-CG1 4.28Å; V262-I270 HydrophobicContact CG2-CD1 3.73Å; V262-I270 HydrophobicContact CG2-CG1 4.22Å; T265-I270 HydrophobicContact CG2-CB 4.34Å; D266-I270 WeakPolarHBondContact O-CG2 3.37Å; D266-I270 PolarHBondContact O-N 2.93Å; D266-I270 VanDerWaalsContact O-N 3.16Å; H267-I270 WeakPolarHBondContact O-CG2 3.43Å; F268-I270 PolarHBondContact O-N 3.06Å; I270-Y279 WeakPolarHBondContact O-CE1 3.47Å; I270-Y279 PolarHBondContact O-OH 3.29Å; I270-L281 HydrophobicContact CD1-CD1 4.21Å; I270-L281 HydrophobicContact CG1-CD1 3.73Å
271I98.1Very high97.5Very high0 Ų037.6 Ų37.60%021%0.209CC..Hα-helixtrans-97.3-33.4-179.1-153.476.7000112.3L37 Y81 F97 H151 V181 F268 S269 Q273 L274L37-I271 HydrophobicContact CD2-CG2 4.42Å; Y81-I271 HydrophobicContact CE2-CD1 4.2Å; Y81-I271 HydrophobicContact CE2-CG1 4.16Å; F97-I271 HydrophobicContact CE2-CG1 4.05Å; F97-I271 VanDerWaalsContact CE2-O 3.31Å; F97-I271 WeakPolarHBondContact CE2-O 3.47Å; F97-I271 HydrophobicContact CZ-CG1 3.82Å; H151-I271 HydrophobicContact CB-CB 4.47Å; H151-I271 HydrophobicContact CB-CD1 4.05Å; H151-I271 HydrophobicContact CB-CG1 4.03Å; V181-I271 HydrophobicContact CB-CD1 4.21Å; V181-I271 HydrophobicContact CG1-CD1 4.21Å; V181-I271 HydrophobicContact CG2-CD1 4.09Å; F268-I271 WeakPolarHBondContact O-CG2 3.45Å; F268-I271 PolarHBondContact O-N 2.96Å; S269-I271 PolarHBondContact O-N 2.99Å; I271-Q273 PolarHBondContact O-N 3.17Å; I271-Q273 VanDerWaalsContact O-N 3.1Å; I271-L274 HydrophobicContact CD1-CD1 3.34Å; I271-L274 HydrophobicContact CD1-CG 4.18Å; I271-L274 HydrophobicContact CG1-CD1 3.96Å; I271-L274 WeakPolarHBondContact O-CB 3.42Å; I271-L274 PolarHBondContact O-N 2.61Å
272E98Very high97.5Very high27 Ų2733.8 Ų33.813%0.12619%0.189CC..Hα-helixtrans-52.2-36.1177.2-70.4161-156.300112R23 H33 A36 F268 L274 V275R23-E272 IonicContact CZ-OE1 3.51Å; R23-E272 IonicContact CZ-OE2 3.96Å; R23-E272 IonicContact NH1-OE1 3.74Å; R23-E272 IonicContact NH1-OE2 2.72Å; R23-E272 PolarHBondContact NH1-OE2 3.18Å; R23-E272 IonicContact NH2-OE1 3.4Å; R23-E272 PolarHBondContact NH2-OE1 3.28Å; R23-E272 IonicContact NH2-OE2 3.68Å; R23-E272 PolarHBondContact NH2-OE2 3.18Å; H33-E272 IonicContact CG-OE1 2.86Å; H33-E272 IonicContact ND1-OE1 2.76Å; H33-E272 PolarHBondContact ND1-OE1 3.35Å; A36-E272 HydrophobicContact CB-CG 4.11Å; F268-E272 VanDerWaalsContact C-OE1 3.32Å; F268-E272 VanDerWaalsContact CB-OE1 3.23Å; F268-E272 WeakPolarHBondContact CB-OE1 3.32Å; F268-E272 WeakPolarHBondContact O-CG 3.42Å; F268-E272 PolarHBondContact O-N 3.41Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 3.1Å; E272-V275 WeakPolarHBondContact O-CG1 3.02Å
273Q96.1Very high97.5Very high71 Ų7138.2 Ų38.233%0.33221%0.208SC..G310 helixtrans-76.1-7.3-177.3-72.1177.27800114.6S269 I271 V275 D276 Y279S269-Q273 WeakPolarHBondContact O-CG 3.5Å; S269-Q273 PolarHBondContact O-N 2.95Å; S269-Q273 PolarHBondContact O-NE2 3.4Å; I271-Q273 PolarHBondContact O-N 3.17Å; I271-Q273 VanDerWaalsContact O-N 3.1Å; Q273-V275 PolarHBondContact O-N 3.26Å; Q273-V275 VanDerWaalsContact O-N 3.07Å; Q273-D276 WeakPolarHBondContact O-CB 3.23Å; Q273-D276 PolarHBondContact O-N 3.01Å; Q273-Y279 HydrophobicContact CB-CD1 3.55Å; Q273-Y279 HydrophobicContact CB-CD2 3.82Å; Q273-Y279 HydrophobicContact CB-CE1 3.58Å; Q273-Y279 HydrophobicContact CB-CE2 3.89Å; Q273-Y279 HydrophobicContact CB-CG 3.66Å; Q273-Y279 HydrophobicContact CG-CE2 4.47Å; Q273-Y279 WeakPolarHBondContact O-CD1 3.28Å
274L97.5Very high97.5Very high5 Ų537 Ų373%0.02619%0.193CC..G310 helixtrans-66.1-9.1175.4-67.1-177.7000113.7F97 M98 P101 I271 E272 D276 Y279 L281 T282F97-L274 HydrophobicContact CD2-CB 4.28Å; F97-L274 HydrophobicContact CE2-CB 3.93Å; F97-L274 HydrophobicContact CE2-CD1 4.31Å; M98-L274 HydrophobicContact CB-CB 4.19Å; M98-L274 HydrophobicContact CE-CD1 4.41Å; P101-L274 WeakPolarHBondContact CG-O 3.46Å; I271-L274 HydrophobicContact CD1-CD1 3.34Å; I271-L274 HydrophobicContact CD1-CG 4.18Å; I271-L274 HydrophobicContact CG1-CD1 3.96Å; I271-L274 WeakPolarHBondContact O-CB 3.42Å; I271-L274 PolarHBondContact O-N 2.61Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 3.1Å; L274-D276 PolarHBondContact O-N 2.86Å; L274-Y279 HydrophobicContact CD2-CD1 4.03Å; L274-Y279 HydrophobicContact CD2-CE1 4.02Å; L274-L281 HydrophobicContact CD2-CB 3.76Å; L274-T282 WeakPolarHBondContact CA-OG1 3.44Å
275V97.2Very high97.7Very high35 Ų3531 Ų3121%0.21216%0.161CC..G310 helixtrans-70.3-18169.474.90000112.6V100 E272 Q273V100-V275 HydrophobicContact CB-CG2 3.78Å; V100-V275 HydrophobicContact CG1-CG2 3.96Å; V100-V275 HydrophobicContact CG2-CG2 3.72Å; E272-V275 WeakPolarHBondContact O-CG1 3.02Å; Q273-V275 PolarHBondContact O-N 3.26Å; Q273-V275 VanDerWaalsContact O-N 3.07Å
276D97.1Very high97.6Very high79 Ų7931.3 Ų31.342%0.42216%0.162SC..  trans-98.1123.5179.7-174.70.3000110.6Q273 L274 D278 Y279 T282Q273-D276 WeakPolarHBondContact O-CB 3.23Å; Q273-D276 PolarHBondContact O-N 3.01Å; L274-D276 PolarHBondContact O-N 2.86Å; D276-D278 PolarHBondContact O-N 3.11Å; D276-D278 PolarHBondContact OD1-N 3.3Å; D276-Y279 WeakPolarHBondContact O-CB 3.44Å; D276-Y279 PolarHBondContact O-N 3.21Å; D276-T282 WeakPolarHBondContact O-CB 3.36Å; D276-T282 WeakPolarHBondContact O-CG2 3.5Å; D276-T282 PolarHBondContact O-OG1 2.8Å
277G96.5Very high97.5Very high29 Ų2938.8 Ų38.830%0.29920%0.195SC..THydrogen-bonded Turntrans-66.8-22.2176.600000113.5K283G277-K283 WeakPolarHBondContact O-CG 3.48Å
278D96.9Very high97.4Very high116 Ų11639.8 Ų39.862%0.6220%0.199SC*.THydrogen-bonded Turntrans-87.3-14.1-179.4-85.9-46.3000114.5D276 K283D276-D278 PolarHBondContact O-N 3.11Å; D276-D278 PolarHBondContact OD1-N 3.3Å; D278-K283 WeakPolarHBondContact O-CE 3.44Å; D278-K283 PolarHBondContact O-NZ 3.15Å; D278-K283 VanDerWaalsContact OD1-CE 3.31Å; D278-K283 WeakPolarHBondContact OD1-CE 3.38Å; D278-K283 IonicContact OD1-NZ 3.79Å; D278-K283 PolarHBondContact OD1-NZ 2.78Å
279Y97.8Very high97.2Very high20 Ų2039.3 Ų39.38%0.07820%0.198CC..SBendtrans-64.2142.3178.3176.4-127.6000112.3V262 I270 Q273 L274 D276 L281 T282 K283V262-Y279 HydrophobicContact CG1-CE2 4.3Å; V262-Y279 WeakPolarHBondContact CG1-OH 3.46Å; I270-Y279 WeakPolarHBondContact O-CE1 3.47Å; I270-Y279 PolarHBondContact O-OH 3.29Å; Q273-Y279 HydrophobicContact CB-CD1 3.55Å; Q273-Y279 HydrophobicContact CB-CD2 3.82Å; Q273-Y279 HydrophobicContact CB-CE1 3.58Å; Q273-Y279 HydrophobicContact CB-CE2 3.89Å; Q273-Y279 HydrophobicContact CB-CG 3.66Å; Q273-Y279 HydrophobicContact CG-CE2 4.47Å; Q273-Y279 WeakPolarHBondContact O-CD1 3.28Å; L274-Y279 HydrophobicContact CD2-CD1 4.03Å; L274-Y279 HydrophobicContact CD2-CE1 4.02Å; D276-Y279 WeakPolarHBondContact O-CB 3.44Å; D276-Y279 PolarHBondContact O-N 3.21Å; Y279-L281 HydrophobicContact CD1-CB 4.06Å; Y279-L281 HydrophobicContact CE1-CB 3.61Å; Y279-L281 HydrophobicContact CE1-CD1 4.08Å; Y279-L281 HydrophobicContact CE1-CG 3.96Å; Y279-L281 PolarHBondContact O-N 3.29Å; Y279-T282 WeakPolarHBondContact O-CB 3.33Å; Y279-T282 PolarHBondContact O-N 3.17Å; Y279-T282 VanDerWaalsContact O-N 3.12Å; Y279-K283 PolarHBondContact O-N 3.15Å
280H96.8Very high96.9Very high94 Ų9442.3 Ų42.344%0.43523%0.23SC..Hα-helixtrans-53.6-50.9-174.2174.362.6000113.2E260 T282 K283 L284E260-H280 IonicContact OE2-CD2 3.66Å; E260-H280 IonicContact OE2-CE1 2.73Å; E260-H280 IonicContact OE2-NE2 3.72Å; E260-H280 PolarHBondContact OE2-NE2 3.08Å; H280-T282 VanDerWaalsContact C-N 3.33Å; H280-T282 PolarHBondContact O-N 2.79Å; H280-K283 PolarHBondContact O-N 3.49Å; H280-L284 WeakPolarHBondContact O-CB 3.49Å; H280-L284 PolarHBondContact O-N 3.21Å
281L97.6Very high96.4Very high1 Ų144.9 Ų44.91%0.00524%0.241CC..Hα-helixtrans-67.5-33.9-179.6-66.5-175000112.3A230 E260 V262 I270 L274 Y279 L284 L285A230-L281 HydrophobicContact CB-CD1 4.24Å; A230-L281 HydrophobicContact CB-CD2 4.14Å; E260-L281 HydrophobicContact CB-CD2 4.33Å; V262-L281 HydrophobicContact CG2-CD1 4.05Å; V262-L281 HydrophobicContact CG2-CD2 3.96Å; V262-L281 HydrophobicContact CG2-CG 4.09Å; I270-L281 HydrophobicContact CD1-CD1 4.21Å; I270-L281 HydrophobicContact CG1-CD1 3.73Å; L274-L281 HydrophobicContact CD2-CB 3.76Å; Y279-L281 HydrophobicContact CD1-CB 4.06Å; Y279-L281 HydrophobicContact CE1-CB 3.61Å; Y279-L281 HydrophobicContact CE1-CD1 4.08Å; Y279-L281 HydrophobicContact CE1-CG 3.96Å; Y279-L281 PolarHBondContact O-N 3.29Å; L281-L284 PolarHBondContact O-N 3.23Å; L281-L285 VanDerWaalsContact O-CB 3.32Å; L281-L285 WeakPolarHBondContact O-CB 3.24Å; L281-L285 PolarHBondContact O-N 3.02Å
282T98.1Very high95.1Very high1 Ų152 Ų521%0.00629%0.29CS..Hα-helixtrans-64-46.3174.9-48.20000110.9P101 L102 L274 D276 Y279 H280 L284 L285 L286P101-T282 HydrophobicContact CB-CG2 4.02Å; P101-T282 HydrophobicContact CG-CG2 3.66Å; L102-T282 HydrophobicContact CD1-CG2 4.21Å; L274-T282 WeakPolarHBondContact CA-OG1 3.44Å; D276-T282 WeakPolarHBondContact O-CB 3.36Å; D276-T282 WeakPolarHBondContact O-CG2 3.5Å; D276-T282 PolarHBondContact O-OG1 2.8Å; Y279-T282 WeakPolarHBondContact O-CB 3.33Å; Y279-T282 PolarHBondContact O-N 3.17Å; Y279-T282 VanDerWaalsContact O-N 3.12Å; H280-T282 VanDerWaalsContact C-N 3.33Å; H280-T282 PolarHBondContact O-N 2.79Å; T282-L284 VanDerWaalsContact C-N 3.33Å; T282-L284 PolarHBondContact O-N 3.11Å; T282-L285 PolarHBondContact O-N 3.24Å; T282-L286 HydrophobicContact CG2-CD1 4.26Å; T282-L286 WeakPolarHBondContact O-CG 3.37Å; T282-L286 PolarHBondContact O-N 2.89Å
283K97.9Very high95Very high102 Ų10253.2 Ų53.244%0.44330%0.299SS..Hα-helixtrans-61-42.1175.3-74.2-178.5168.4144.40111.9G277 D278 Y279 H280 L286 K287G277-K283 WeakPolarHBondContact O-CG 3.48Å; D278-K283 WeakPolarHBondContact O-CE 3.44Å; D278-K283 PolarHBondContact O-NZ 3.15Å; D278-K283 VanDerWaalsContact OD1-CE 3.31Å; D278-K283 WeakPolarHBondContact OD1-CE 3.38Å; D278-K283 IonicContact OD1-NZ 3.79Å; D278-K283 PolarHBondContact OD1-NZ 2.78Å; Y279-K283 PolarHBondContact O-N 3.15Å; H280-K283 PolarHBondContact O-N 3.49Å; K283-L286 PolarHBondContact O-N 3.38Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 2.88Å
284L97.8Very high94.9Very high36 Ų3652.3 Ų52.319%0.18830%0.297CS..Hα-helixtrans-63.7-42.7177.2-172.460.5000111.3F179 V228 E260 H280 L281 T282 K287 M288F179-L284 HydrophobicContact CE1-CB 4.2Å; F179-L284 HydrophobicContact CE1-CD2 3.98Å; F179-L284 HydrophobicContact CE1-CG 4.04Å; F179-L284 HydrophobicContact CZ-CB 4.18Å; F179-L284 HydrophobicContact CZ-CD2 4.23Å; F179-L284 HydrophobicContact CZ-CG 3.86Å; V228-L284 HydrophobicContact CG1-CD2 4.14Å; V228-L284 HydrophobicContact CG2-CD2 4.07Å; E260-L284 HydrophobicContact CG-CD2 3.79Å; H280-L284 WeakPolarHBondContact O-CB 3.49Å; H280-L284 PolarHBondContact O-N 3.21Å; L281-L284 PolarHBondContact O-N 3.23Å; T282-L284 VanDerWaalsContact C-N 3.33Å; T282-L284 PolarHBondContact O-N 3.11Å; L284-K287 PolarHBondContact O-N 3.19Å; L284-M288 WeakPolarHBondContact O-CB 3.4Å; L284-M288 PolarHBondContact O-N 2.66Å
285L97.4Very high94.8Very high2 Ų254.9 Ų54.91%0.0131%0.312CS..Hα-helixtrans-62-49.5176.6177.960.2000111.4M98 L102 F179 L281 T282 K287 M288 M289M98-L285 HydrophobicContact CE-CD2 3.3Å; L102-L285 HydrophobicContact CD1-CD2 4.43Å; L102-L285 HydrophobicContact CD2-CD2 4.03Å; F179-L285 HydrophobicContact CD2-CD1 3.62Å; F179-L285 HydrophobicContact CE1-CB 4.17Å; F179-L285 HydrophobicContact CE2-CB 3.98Å; F179-L285 HydrophobicContact CE2-CD1 3.47Å; F179-L285 VanDerWaalsContact CE2-CD1 3.47Å; F179-L285 HydrophobicContact CE2-CG 4.33Å; F179-L285 HydrophobicContact CG-CD1 4.42Å; F179-L285 HydrophobicContact CZ-CB 3.76Å; F179-L285 HydrophobicContact CZ-CD1 4.17Å; L281-L285 VanDerWaalsContact O-CB 3.32Å; L281-L285 WeakPolarHBondContact O-CB 3.24Å; L281-L285 PolarHBondContact O-N 3.02Å; T282-L285 PolarHBondContact O-N 3.24Å; L285-K287 PolarHBondContact O-N 3.11Å; L285-M288 WeakPolarHBondContact O-CB 3.33Å; L285-M288 PolarHBondContact O-N 3.3Å; L285-M289 HydrophobicContact CD1-CE 4.3Å; L285-M289 HydrophobicContact CG-CE 3.93Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.05Å
286L97Very high94.7Very high7 Ų756.1 Ų56.14%0.03732%0.318CS..Hα-helixtrans-59.7-45.7175.7-71.7172.3000111.9L102 K105 T282 K283 M288 M289 G290 K291L102-L286 HydrophobicContact CD1-CD2 4.09Å; L102-L286 HydrophobicContact CD1-CG 4.42Å; L102-L286 HydrophobicContact CG-CD2 4.23Å; K105-L286 HydrophobicContact CB-CD2 3.82Å; K105-L286 HydrophobicContact CG-CD1 4.22Å; K105-L286 HydrophobicContact CG-CD2 3.82Å; T282-L286 HydrophobicContact CG2-CD1 4.26Å; T282-L286 WeakPolarHBondContact O-CG 3.37Å; T282-L286 PolarHBondContact O-N 2.89Å; K283-L286 PolarHBondContact O-N 3.38Å; L286-M288 VanDerWaalsContact C-N 3.3Å; L286-M288 PolarHBondContact O-N 3.22Å; L286-M289 HydrophobicContact CD2-CE 3.95Å; L286-M289 CarbonylContact O-C 3.56Å; L286-M289 WeakPolarHBondContact O-CA 3.49Å; L286-M289 WeakPolarHBondContact O-CB 3.33Å; L286-M289 PolarHBondContact O-N 3.37Å; L286-G290 PolarHBondContact O-N 3.46Å; L286-K291 CarbonylContact C-O 3.27Å; L286-K291 VanDerWaalsContact C-O 3.27Å; L286-K291 HydrophobicContact CB-CB 4.16Å; L286-K291 HydrophobicContact CD2-CB 4.09Å; L286-K291 WeakPolarHBondContact O-CB 3.37Å; L286-K291 PolarHBondContact O-N 3.42Å
287K96.7Very high94.5Very high157 Ų15754.6 Ų54.668%0.68331%0.311SS*.Hα-helixtrans-59.8-40176.9-177.5-178.3179.9-1770111.8K283 L284 L285 M289 G290 K291K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 2.88Å; L284-K287 PolarHBondContact O-N 3.19Å; L285-K287 PolarHBondContact O-N 3.11Å; K287-M289 PolarHBondContact O-N 2.98Å; K287-G290 PolarHBondContact O-N 2.89Å; K287-K291 PolarHBondContact N-O 3.4Å
288M95.4Very high94.4Very high26 Ų2656.3 Ų56.313%0.12831%0.312CS..Hα-helixtrans-61.4-33.1176.4-167.7-176.5-71.600111.8Y147 F179 R226 V228 L284 L285 L286 G290Y147-M288 HydrophobicContact CD1-CG 4.4Å; Y147-M288 HydrophobicContact CD1-SD 4.17Å; Y147-M288 HydrophobicContact CE1-CG 4.06Å; Y147-M288 HydrophobicContact CE1-SD 4.37Å; F179-M288 HydrophobicContact CD2-CE 4.13Å; F179-M288 HydrophobicContact CD2-SD 4.34Å; F179-M288 HydrophobicContact CE2-CB 4.41Å; F179-M288 HydrophobicContact CE2-CE 3.31Å; F179-M288 HydrophobicContact CE2-SD 3.66Å; F179-M288 HydrophobicContact CZ-CE 3.79Å; R226-M288 HydrophobicContact CB-CE 4.26Å; R226-M288 HydrophobicContact CB-SD 4.21Å; V228-M288 HydrophobicContact CB-CE 4.49Å; V228-M288 HydrophobicContact CG2-CE 3.42Å; V228-M288 VanDerWaalsContact CG2-CE 3.42Å; L284-M288 WeakPolarHBondContact O-CB 3.4Å; L284-M288 PolarHBondContact O-N 2.66Å; L285-M288 WeakPolarHBondContact O-CB 3.33Å; L285-M288 PolarHBondContact O-N 3.3Å; L286-M288 VanDerWaalsContact C-N 3.3Å; L286-M288 PolarHBondContact O-N 3.22Å; M288-G290 VanDerWaalsContact C-N 3.29Å
289M94.9Very high94.2Very high10 Ų1052.1 Ų52.15%0.04929%0.29CS..THydrogen-bonded Turntrans-83.51.7175.1-61.1-173.8-73.800114.1N77 V79 L102 V107 Y147 L285 L286 K287 K291N77-M289 HydrophobicContact CB-CB 4.48Å; N77-M289 HydrophobicContact CB-SD 4.09Å; N77-M289 PolarHBondContact ND2-O 2.57Å; N77-M289 VanDerWaalsContact ND2-O 3.13Å; V79-M289 HydrophobicContact CG2-CE 4.1Å; V79-M289 HydrophobicContact CG2-SD 3.55Å; V79-M289 VanDerWaalsContact CG2-SD 3.55Å; L102-M289 HydrophobicContact CD2-CE 4.37Å; L102-M289 HydrophobicContact CG-CE 4.32Å; V107-M289 HydrophobicContact CB-CE 4.45Å; V107-M289 HydrophobicContact CB-SD 4.49Å; V107-M289 HydrophobicContact CG1-CE 3.97Å; V107-M289 HydrophobicContact CG1-SD 3.66Å; V107-M289 HydrophobicContact CG2-CE 3.82Å; V107-M289 HydrophobicContact CG2-SD 3.96Å; Y147-M289 HydrophobicContact CD1-CG 3.93Å; Y147-M289 HydrophobicContact CD2-CG 3.75Å; Y147-M289 HydrophobicContact CD2-SD 3.9Å; Y147-M289 HydrophobicContact CE1-CG 3.75Å; Y147-M289 HydrophobicContact CE2-CB 4.33Å; Y147-M289 HydrophobicContact CE2-CG 3.58Å; Y147-M289 HydrophobicContact CE2-SD 4.18Å; Y147-M289 HydrophobicContact CG-CG 3.95Å; Y147-M289 HydrophobicContact CG-SD 4.23Å; L285-M289 HydrophobicContact CD1-CE 4.3Å; L285-M289 HydrophobicContact CG-CE 3.93Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.05Å; L286-M289 HydrophobicContact CD2-CE 3.95Å; L286-M289 CarbonylContact O-C 3.56Å; L286-M289 WeakPolarHBondContact O-CA 3.49Å; L286-M289 WeakPolarHBondContact O-CB 3.33Å; L286-M289 PolarHBondContact O-N 3.37Å; K287-M289 PolarHBondContact O-N 2.98Å; M289-K291 VanDerWaalsContact C-N 3.31Å; M289-K291 HydrophobicContact CB-CG 4.19Å
290G92.5Very high93.9Very high70 Ų7054.5 Ų54.572%0.72231%0.306SS*.THydrogen-bonded Turntrans71.823.6-176.100000113.7L286 K287 M288L286-G290 PolarHBondContact O-N 3.46Å; K287-G290 PolarHBondContact O-N 2.89Å; M288-G290 VanDerWaalsContact C-N 3.29Å
291K86.8Confident93.7Very high54 Ų5451.3 Ų51.324%0.23530%0.296CS..  trans-102.4136.4176.4-57.2-66.2-175.9153.80109.6K105 V107 L286 K287 M289K105-K291 HydrophobicContact CB-CB 4.32Å; K105-K291 HydrophobicContact CB-CG 4.38Å; K105-K291 VanDerWaalsContact O-CD 3.28Å; K105-K291 WeakPolarHBondContact O-CD 3.11Å; K105-K291 WeakPolarHBondContact O-CE 3.33Å; K105-K291 PolarHBondContact O-NZ 2.74Å; V107-K291 HydrophobicContact CG2-CG 4.22Å; L286-K291 CarbonylContact C-O 3.27Å; L286-K291 VanDerWaalsContact C-O 3.27Å; L286-K291 HydrophobicContact CB-CB 4.16Å; L286-K291 HydrophobicContact CD2-CB 4.09Å; L286-K291 WeakPolarHBondContact O-CB 3.37Å; L286-K291 PolarHBondContact O-N 3.42Å; K287-K291 PolarHBondContact N-O 3.4Å; M289-K291 VanDerWaalsContact C-N 3.31Å; M289-K291 HydrophobicContact CB-CG 4.19Å
292S71.9Confident93.3Very high149 Ų14955.8 Ų55.8100%1.04232%0.322SS*.  trans-111.30177.360.10000111.6K105K105-S292 PolarHBondContact NZ-O 3.41Å

Retrieved 292 of 292 residues in 234.4 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).