A0A077ZGE2_TRITR Loading...

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

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

AlphaFold DB , UniProt , Accession A0A077ZGE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low59.6Low223 Ų223119.9 Ų119.9100%1.09958%0.578SS**  0124.40-76.2-177171.600110.4
2G43.2Very low62.5Low51 Ų51113.8 Ų113.853%0.52655%0.545SS..  trans-64.9153.9-167.800000115.5F4 S5G2-F4 PolarHBondContact O-N 3.18Å; G2-S5 PolarHBondContact O-N 3.42Å
3K48.9Very low64.7Low182 Ų182112.5 Ų112.579%0.79153%0.532SS*.THydrogen-bonded Turntrans-54.8-17.2176.5-95.4179173.8177.30114.3
4F49.8Very low66.7Low189 Ų189112.5 Ų112.583%0.82952%0.524SS*.THydrogen-bonded Turntrans-111.416-173.9-64.9-78.1000115.4G2G2-F4 PolarHBondContact O-N 3.18Å
5S55.5Low68.6Low38 Ų38108.5 Ų108.527%0.26651%0.508SS..  trans-63.2147.1178.2690000112G2 D7 K8G2-S5 PolarHBondContact O-N 3.42Å; S5-D7 PolarHBondContact O-N 2.83Å; S5-D7 VanDerWaalsContact O-N 3.12Å; S5-K8 PolarHBondContact O-N 3.33Å
6K59.9Low70.3Confident139 Ų139101.9 Ų101.960%0.60448%0.478SS*.G310 helixtrans-52.2-33.5179.1-166.7176.2179.71780112.1R9K6-R9 PolarHBondContact O-N 2.64Å
7D57Low71.7Confident90 Ų90103.8 Ų103.848%0.48148%0.484SS..G310 helixtrans-71.2-29.6179.5-54.5-36000113.8S5 R9 D10S5-D7 PolarHBondContact O-N 2.83Å; S5-D7 VanDerWaalsContact O-N 3.12Å; D7-R9 PolarHBondContact O-N 3.42Å; D7-D10 VanDerWaalsContact O-CB 3.26Å; D7-D10 WeakPolarHBondContact O-CB 3.26Å; D7-D10 PolarHBondContact O-N 3.43Å; D7-D10 VanDerWaalsContact O-N 3.1Å
8K53.3Low73Confident107 Ų107106 Ų10647%0.46549%0.494SS..G310 helixtrans-68.7-22.6174.7-78.4-173.3173.7-178.40112.8S5 D10 R14S5-K8 PolarHBondContact O-N 3.33Å; K8-D10 VanDerWaalsContact C-N 3.28Å; K8-R14 PolarHBondContact O-NE 3.47Å
9R69.3Low74.2Confident184 Ų184104.8 Ų104.869%0.69449%0.489SS*.G310 helixtrans-80-11.1173.1-66.9-168-66.9-126.50.3113.1K6 D7 I11K6-R9 PolarHBondContact O-N 2.64Å; D7-R9 PolarHBondContact O-N 3.42Å; R9-I11 PolarHBondContact O-N 3.03Å; R9-I11 VanDerWaalsContact O-N 3.13Å
10D85.4Confident75.3Confident16 Ų16102.2 Ų102.29%0.08649%0.491CS..  trans-77.4101.5-178.4-156.1-44.4000110.4D7 K8 Y12 Y13 R14 R24 R189D7-D10 VanDerWaalsContact O-CB 3.26Å; D7-D10 WeakPolarHBondContact O-CB 3.26Å; D7-D10 PolarHBondContact O-N 3.43Å; D7-D10 VanDerWaalsContact O-N 3.1Å; K8-D10 VanDerWaalsContact C-N 3.28Å; D10-Y12 PolarHBondContact O-N 2.88Å; D10-Y12 PolarHBondContact OD1-N 2.67Å; D10-Y13 PolarHBondContact O-N 3.37Å; D10-R14 PolarHBondContact O-N 3.2Å; D10-R24 VanDerWaalsContact CG-CZ 3.42Å; D10-R24 VanDerWaalsContact CG-NH1 3.27Å; D10-R24 IonicContact OD1-CZ 3.7Å; D10-R24 IonicContact OD1-NE 3.9Å; D10-R24 PolarHBondContact OD1-NE 2.77Å; D10-R24 IonicContact OD1-NH1 3.09Å; D10-R24 PolarHBondContact OD1-NH1 2.91Å; D10-R24 IonicContact OD1-NH2 2.92Å; D10-R24 PolarHBondContact OD1-NH2 2.88Å; D10-R24 IonicContact OD2-CZ 3.61Å; D10-R24 IonicContact OD2-NE 3.9Å; D10-R24 IonicContact OD2-NH1 3.51Å; D10-R24 PolarHBondContact OD2-NH1 2.92Å; D10-R24 IonicContact OD2-NH2 3.29Å; D10-R189 IonicContact OD2-CZ 2.83Å; D10-R189 IonicContact OD2-NE 2.69Å; D10-R189 IonicContact OD2-NH2 3.78Å; D10-R189 PolarHBondContact OD2-NH2 3.48Å
11I91.8Very high76.3Confident100 Ų10098.2 Ų98.251%0.51347%0.471SS..Hα-helixtrans-57.7-39.2-177-170.8168.2000111.8R9 Y13 R14 L15R9-I11 PolarHBondContact O-N 3.03Å; R9-I11 VanDerWaalsContact O-N 3.13Å; I11-Y13 PolarHBondContact O-N 3.25Å; I11-R14 PolarHBondContact O-N 3.26Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.37Å
12Y94.2Very high79Confident46 Ų4691.4 Ų91.418%0.1843%0.433CS..Hα-helixtrans-73.4-28.3-178.6-63.5-77.1000112.6D10 A16 F27 Q31 R186 S187D10-Y12 PolarHBondContact O-N 2.88Å; D10-Y12 PolarHBondContact OD1-N 2.67Å; Y12-A16 WeakPolarHBondContact O-CB 3.48Å; Y12-A16 PolarHBondContact O-N 2.93Å; Y12-F27 HydrophobicContact CD1-CB 3.78Å; Y12-F27 HydrophobicContact CD1-CD1 4.34Å; Y12-F27 AromaticContact CD1-CD2 3.87Å; Y12-F27 HydrophobicContact CD1-CD2 3.87Å; Y12-F27 AromaticContact CD1-CG 3.71Å; Y12-F27 HydrophobicContact CD1-CG 3.71Å; Y12-F27 HydrophobicContact CE1-CB 4.22Å; Y12-F27 HydrophobicContact CE1-CG 4.38Å; Y12-F27 HydrophobicContact CG-CD2 4.48Å; Y12-Q31 PolarHBondContact OH-NE2 3.13Å; Y12-R186 PolarHBondContact OH-O 3.18Å; Y12-S187 VanDerWaalsContact CE2-CA 3.43Å
13Y91.6Very high81.5Confident98 Ų9890.2 Ų90.238%0.38442%0.418SS..Hα-helixtrans-68.3-40.8171.8-177.3-99.7000111.8D10 I11 K17D10-Y13 PolarHBondContact O-N 3.37Å; I11-Y13 PolarHBondContact O-N 3.25Å; Y13-K17 HydrophobicContact CE1-CD 4.07Å; Y13-K17 VanDerWaalsContact CE1-NZ 3.28Å; Y13-K17 VanDerWaalsContact CZ-NZ 3.33Å; Y13-K17 PolarHBondContact O-N 3.42Å; Y13-K17 WeakPolarHBondContact OH-CE 2.95Å; Y13-K17 PolarHBondContact OH-NZ 3.18Å
14R92.5Very high83.7Confident112 Ų11284 Ų8442%0.42339%0.389SS..Hα-helixtrans-66.3-48.5174.4-71.4-171.6-74.8118.7-1.8111.2K8 D10 I11 A16 K17 E18K8-R14 PolarHBondContact O-NE 3.47Å; D10-R14 PolarHBondContact O-N 3.2Å; I11-R14 PolarHBondContact O-N 3.26Å; R14-A16 VanDerWaalsContact C-N 3.26Å; R14-A16 PolarHBondContact O-N 3.24Å; R14-K17 PolarHBondContact O-N 2.97Å; R14-K17 VanDerWaalsContact O-N 3.08Å; R14-E18 WeakPolarHBondContact O-CG 3.47Å; R14-E18 PolarHBondContact O-N 3.29Å
15L94.5Very high85.9Confident53 Ų5375.6 Ų75.628%0.27735%0.354SS..Hα-helixtrans-60-37.2178.4-164.965.3000111.8I11 K17 E18 E19 F27I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.37Å; L15-K17 PolarHBondContact O-N 3.48Å; L15-E18 PolarHBondContact O-N 2.94Å; L15-E19 HydrophobicContact CD1-CG 4.28Å; L15-E19 WeakPolarHBondContact CD1-OE1 3.4Å; L15-E19 HydrophobicContact CG-CG 4.35Å; L15-E19 WeakPolarHBondContact CG-OE1 3.35Å; L15-E19 WeakPolarHBondContact O-CB 3.23Å; L15-E19 WeakPolarHBondContact O-CG 3.44Å; L15-E19 PolarHBondContact O-N 2.78Å; L15-F27 HydrophobicContact CB-CE2 3.92Å; L15-F27 HydrophobicContact CB-CZ 3.76Å; L15-F27 HydrophobicContact CD2-CD1 4.1Å; L15-F27 HydrophobicContact CD2-CE1 3.34Å; L15-F27 HydrophobicContact CD2-CE2 4.1Å; L15-F27 HydrophobicContact CD2-CZ 3.38Å; L15-F27 HydrophobicContact CG-CE1 3.84Å; L15-F27 HydrophobicContact CG-CE2 4.04Å; L15-F27 HydrophobicContact CG-CZ 3.35Å
16A95.8Very high87.9Confident3 Ų373.8 Ų73.83%0.02534%0.341CS..Hα-helixtrans-60.2-44.817500000112.1Y12 R14 G20 W21 R24 F27Y12-A16 WeakPolarHBondContact O-CB 3.48Å; Y12-A16 PolarHBondContact O-N 2.93Å; R14-A16 VanDerWaalsContact C-N 3.26Å; R14-A16 PolarHBondContact O-N 3.24Å; A16-G20 PolarHBondContact O-N 3.03Å; A16-W21 HydrophobicContact CB-CB 4.04Å; A16-W21 PolarHBondContact O-N 2.8Å; A16-R24 HydrophobicContact CB-CB 4.31Å; A16-F27 HydrophobicContact CB-CE2 3.98Å
17K94.2Very high89.7Confident134 Ų13467.9 Ų67.958%0.58332%0.316SS*.Hα-helixtrans-67.8-39.7177.2-69.6-174.4176.1-174.60112.7Y13 R14 L15Y13-K17 HydrophobicContact CE1-CD 4.07Å; Y13-K17 VanDerWaalsContact CE1-NZ 3.28Å; Y13-K17 VanDerWaalsContact CZ-NZ 3.33Å; Y13-K17 PolarHBondContact O-N 3.42Å; Y13-K17 WeakPolarHBondContact OH-CE 2.95Å; Y13-K17 PolarHBondContact OH-NZ 3.18Å; R14-K17 PolarHBondContact O-N 2.97Å; R14-K17 VanDerWaalsContact O-N 3.08Å; L15-K17 PolarHBondContact O-N 3.48Å
18E95Very high91.6Very high143 Ų14364.4 Ų64.467%0.66830%0.296SS*.Hα-helixtrans-67.2-37.7179.5-72.1168.6-16800111.7R14 L15R14-E18 WeakPolarHBondContact O-CG 3.47Å; R14-E18 PolarHBondContact O-N 3.29Å; L15-E18 PolarHBondContact O-N 2.94Å
19E96Very high93.8Very high84 Ų8459.3 Ų59.339%0.39327%0.274SS..Hα-helixtrans-90.4-2.6179.6-67-175.8-165.300114.5L15 W21L15-E19 HydrophobicContact CD1-CG 4.28Å; L15-E19 WeakPolarHBondContact CD1-OE1 3.4Å; L15-E19 HydrophobicContact CG-CG 4.35Å; L15-E19 WeakPolarHBondContact CG-OE1 3.35Å; L15-E19 WeakPolarHBondContact O-CB 3.23Å; L15-E19 WeakPolarHBondContact O-CG 3.44Å; L15-E19 PolarHBondContact O-N 2.78Å; E19-W21 PolarHBondContact OE2-NE1 2.93Å
20G95.6Very high95.2Very high51 Ų5152.3 Ų52.353%0.52625%0.25SS..THydrogen-bonded Turntrans79.521.3177.900000115.4A16 Q57A16-G20 PolarHBondContact O-N 3.03Å; G20-Q57 PolarHBondContact O-NE2 3.32Å
21W97.7Very high95.8Very high19 Ų1953.8 Ų53.87%0.07226%0.257CS..  trans-79.2136.8172.2-57.7117000111.3A16 E19 A23 A26 F27 L30 Q57 V58 R61A16-W21 HydrophobicContact CB-CB 4.04Å; A16-W21 PolarHBondContact O-N 2.8Å; E19-W21 PolarHBondContact OE2-NE1 2.93Å; W21-A23 VanDerWaalsContact C-N 3.25Å; W21-A23 PolarHBondContact O-N 2.74Å; W21-A26 HydrophobicContact CB-CB 3.87Å; W21-A26 HydrophobicContact CD2-CB 3.73Å; W21-A26 HydrophobicContact CE3-CB 3.99Å; W21-A26 HydrophobicContact CG-CB 3.67Å; W21-F27 AromaticContact CD1-CZ 3.7Å; W21-F27 AromaticContact NE1-CZ 3.94Å; W21-L30 HydrophobicContact CZ2-CD1 4Å; W21-Q57 HydrophobicContact CE3-CB 3.74Å; W21-Q57 HydrophobicContact CZ3-CB 3.6Å; W21-V58 HydrophobicContact CE3-CG2 4.12Å; W21-V58 HydrophobicContact CH2-CB 4.47Å; W21-V58 HydrophobicContact CH2-CG2 3.82Å; W21-V58 HydrophobicContact CZ2-CG2 4.43Å; W21-V58 HydrophobicContact CZ3-CB 4.37Å; W21-V58 HydrophobicContact CZ3-CG2 3.67Å; W21-R61 HydrophobicContact CH2-CB 4.34Å
22R97.2Very high96.1Very high81 Ų8149 Ų4931%0.30623%0.232SC..SBendtrans-63.1-32178.2-73.9-179.3-174.8-169.8-1.3112.8P52 V83 P84 I85R22-P52 HydrophobicContact CB-CG 4.36Å; R22-P52 WeakPolarHBondContact CD-O 3.48Å; R22-P52 PolarHBondContact NH1-O 3.27Å; R22-V83 PolarHBondContact NH1-O 2.97Å; R22-V83 PolarHBondContact NH2-O 3.43Å; R22-P84 PolarHBondContact NH2-O 2.9Å; R22-I85 VanDerWaalsContact CZ-CG1 3.44Å
23A96.1Very high96.3Very high25 Ų2547.3 Ų47.321%0.20723%0.226CC..SBendtrans-145.8155.7177.700000111.5W21 S25 A26 P52W21-A23 VanDerWaalsContact C-N 3.25Å; W21-A23 PolarHBondContact O-N 2.74Å; A23-S25 WeakPolarHBondContact CB-OG 3.32Å; A23-S25 PolarHBondContact O-N 3.49Å; A23-S25 VanDerWaalsContact O-N 3.15Å; A23-A26 PolarHBondContact O-N 3.46Å; A23-P52 HydrophobicContact CB-CG 4.2Å
24R94.9Very high96.6Very high52 Ų5246.8 Ų46.820%0.19624%0.237CC..THydrogen-bonded Turntrans-64.8-14.5176.968.6169.6-60.2-142.5-11.8114.2D10 A16 A26 F27 S187D10-R24 VanDerWaalsContact CG-CZ 3.42Å; D10-R24 VanDerWaalsContact CG-NH1 3.27Å; D10-R24 IonicContact OD1-CZ 3.7Å; D10-R24 IonicContact OD1-NE 3.9Å; D10-R24 PolarHBondContact OD1-NE 2.77Å; D10-R24 IonicContact OD1-NH1 3.09Å; D10-R24 PolarHBondContact OD1-NH1 2.91Å; D10-R24 IonicContact OD1-NH2 2.92Å; D10-R24 PolarHBondContact OD1-NH2 2.88Å; D10-R24 IonicContact OD2-CZ 3.61Å; D10-R24 IonicContact OD2-NE 3.9Å; D10-R24 IonicContact OD2-NH1 3.51Å; D10-R24 PolarHBondContact OD2-NH1 2.92Å; D10-R24 IonicContact OD2-NH2 3.29Å; A16-R24 HydrophobicContact CB-CB 4.31Å; R24-A26 PolarHBondContact O-N 2.93Å; R24-F27 PolarHBondContact O-N 3.34Å; R24-S187 PolarHBondContact NH2-O 3.38Å
25S96Very high96.9Very high12 Ų1247.2 Ų47.28%0.08425%0.248CC..THydrogen-bonded Turntrans-67-17.6175.738.70000113.1A23 F27 K28 S54 W55 D119A23-S25 WeakPolarHBondContact CB-OG 3.32Å; A23-S25 PolarHBondContact O-N 3.49Å; A23-S25 VanDerWaalsContact O-N 3.15Å; S25-F27 PolarHBondContact O-N 2.8Å; S25-K28 VanDerWaalsContact O-CB 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.27Å; S25-K28 PolarHBondContact O-N 2.97Å; S25-S54 PolarHBondContact OG-OG 2.83Å; S25-W55 PolarHBondContact O-NE1 3.28Å; S25-D119 WeakPolarHBondContact CB-OD2 3.23Å
26A98Very high97.1Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-51.4-41.217100000112.2W21 A23 R24 K28 L29 L30 V58W21-A26 HydrophobicContact CB-CB 3.87Å; W21-A26 HydrophobicContact CD2-CB 3.73Å; W21-A26 HydrophobicContact CE3-CB 3.99Å; W21-A26 HydrophobicContact CG-CB 3.67Å; A23-A26 PolarHBondContact O-N 3.46Å; R24-A26 PolarHBondContact O-N 2.93Å; A26-K28 PolarHBondContact O-N 3.17Å; A26-L29 PolarHBondContact O-N 2.65Å; A26-L30 WeakPolarHBondContact O-CG 3.29Å; A26-L30 PolarHBondContact O-N 3.26Å; A26-V58 HydrophobicContact CB-CG2 3.67Å
27F98Very high97.1Very high16 Ų1652 Ų527%0.0727%0.269CS..Hα-helixtrans-66.5-21.5177.3-65.1-72000114Y12 L15 A16 W21 R24 S25 L30 Q31Y12-F27 HydrophobicContact CD1-CB 3.78Å; Y12-F27 HydrophobicContact CD1-CD1 4.34Å; Y12-F27 AromaticContact CD1-CD2 3.87Å; Y12-F27 HydrophobicContact CD1-CD2 3.87Å; Y12-F27 AromaticContact CD1-CG 3.71Å; Y12-F27 HydrophobicContact CD1-CG 3.71Å; Y12-F27 HydrophobicContact CE1-CB 4.22Å; Y12-F27 HydrophobicContact CE1-CG 4.38Å; Y12-F27 HydrophobicContact CG-CD2 4.48Å; L15-F27 HydrophobicContact CB-CE2 3.92Å; L15-F27 HydrophobicContact CB-CZ 3.76Å; L15-F27 HydrophobicContact CD2-CD1 4.1Å; L15-F27 HydrophobicContact CD2-CE1 3.34Å; L15-F27 HydrophobicContact CD2-CE2 4.1Å; L15-F27 HydrophobicContact CD2-CZ 3.38Å; L15-F27 HydrophobicContact CG-CE1 3.84Å; L15-F27 HydrophobicContact CG-CE2 4.04Å; L15-F27 HydrophobicContact CG-CZ 3.35Å; A16-F27 HydrophobicContact CB-CE2 3.98Å; W21-F27 AromaticContact CD1-CZ 3.7Å; W21-F27 AromaticContact NE1-CZ 3.94Å; R24-F27 PolarHBondContact O-N 3.34Å; S25-F27 PolarHBondContact O-N 2.8Å; F27-L30 HydrophobicContact CD1-CD1 4.24Å; F27-L30 HydrophobicContact CE1-CD1 4.47Å; F27-Q31 VanDerWaalsContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CB 3.38Å; F27-Q31 WeakPolarHBondContact O-CG 3.47Å; F27-Q31 PolarHBondContact O-N 3.42Å; F27-Q31 PolarHBondContact O-OE1 2.86Å
28K97.9Very high97.3Very high17 Ų1746 Ų467%0.07424%0.243CC..Hα-helixtrans-67.8-51.6175.2-55.8176.8-163168.20109.1S25 A26 Q31 I32 W55 D119 P185 S187 E194 F196S25-K28 VanDerWaalsContact O-CB 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.27Å; S25-K28 PolarHBondContact O-N 2.97Å; A26-K28 PolarHBondContact O-N 3.17Å; K28-Q31 PolarHBondContact O-N 3.14Å; K28-I32 VanDerWaalsContact O-CG1 3.25Å; K28-I32 WeakPolarHBondContact O-CG1 3.33Å; K28-I32 PolarHBondContact O-N 2.91Å; K28-W55 HydrophobicContact CB-CZ2 4.29Å; K28-D119 IonicContact NZ-OD1 3.39Å; K28-D119 IonicContact NZ-OD2 3.88Å; K28-P185 HydrophobicContact CB-CB 4.4Å; K28-P185 HydrophobicContact CB-CG 4.27Å; K28-S187 WeakPolarHBondContact CA-OG 3.32Å; K28-S187 VanDerWaalsContact CG-OG 3.31Å; K28-S187 WeakPolarHBondContact CG-OG 3.2Å; K28-S187 PolarHBondContact N-OG 2.91Å; K28-E194 WeakPolarHBondContact CE-OE1 3.43Å; K28-E194 IonicContact NZ-OE1 3.83Å; K28-E194 IonicContact NZ-OE2 2.67Å; K28-E194 PolarHBondContact NZ-OE2 3.43Å; K28-F196 HydrophobicContact CB-CE2 4.31Å; K28-F196 HydrophobicContact CB-CZ 4.25Å; K28-F196 HydrophobicContact CD-CE2 3.69Å; K28-F196 HydrophobicContact CD-CZ 3.43Å; K28-F196 VanDerWaalsContact CD-CZ 3.43Å; K28-F196 HydrophobicContact CG-CE2 4.4Å; K28-F196 HydrophobicContact CG-CZ 4.41Å
29L98.5Very high97.5Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-64.7-43.3179.3-173.958.5000111.9A26 Q31 I32 D33 L38 F39 W55 V58 L59 V117A26-L29 PolarHBondContact O-N 2.65Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; L29-Q31 PolarHBondContact O-N 3.17Å; L29-I32 PolarHBondContact O-N 3.31Å; L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 3.11Å; L29-L38 HydrophobicContact CD1-CD1 3.77Å; L29-F39 HydrophobicContact CD1-CZ 4.43Å; L29-F39 HydrophobicContact CD2-CZ 4.17Å; L29-F39 HydrophobicContact CG-CZ 3.99Å; L29-W55 HydrophobicContact CB-CD2 3.96Å; L29-W55 HydrophobicContact CB-CG 4.13Å; L29-W55 HydrophobicContact CB-CZ2 4.06Å; L29-W55 HydrophobicContact CD1-CE3 4.42Å; L29-W55 HydrophobicContact CD1-CZ3 4.4Å; L29-W55 HydrophobicContact CD2-CB 3.91Å; L29-W55 HydrophobicContact CD2-CD2 3.89Å; L29-W55 HydrophobicContact CD2-CE3 4.19Å; L29-W55 HydrophobicContact CD2-CG 3.81Å; L29-W55 HydrophobicContact CG-CD2 4.34Å; L29-V58 HydrophobicContact CB-CG1 4.4Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.85Å; L29-V58 HydrophobicContact CG-CG1 4.07Å; L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.4Å; L29-V117 HydrophobicContact CD1-CG1 4.23Å
30L98.4Very high97.5Very high37 Ų3740 Ų4019%0.19422%0.218CC..Hα-helixtrans-59.4-38.6175.5-70.9168000112.8W21 A26 F27 S34 V58 E62W21-L30 HydrophobicContact CZ2-CD1 4Å; A26-L30 WeakPolarHBondContact O-CG 3.29Å; A26-L30 PolarHBondContact O-N 3.26Å; F27-L30 HydrophobicContact CD1-CD1 4.24Å; F27-L30 HydrophobicContact CE1-CD1 4.47Å; L30-S34 PolarHBondContact O-N 3.44Å; L30-V58 HydrophobicContact CD1-CG2 4.37Å; L30-V58 HydrophobicContact CD2-CG1 3.7Å; L30-V58 HydrophobicContact CD2-CG2 4.45Å; L30-V58 HydrophobicContact CG-CG1 3.95Å; L30-V58 HydrophobicContact CG-CG2 4.07Å; L30-E62 HydrophobicContact CD2-CG 3.91Å
31Q98.4Very high97.4Very high46 Ų4640.8 Ų40.822%0.21523%0.226CC..Hα-helixtrans-71.5-37.8177.3-76.8171.3-10.200112.2Y12 F27 K28 L29 S34 D35 P185 S187Y12-Q31 PolarHBondContact OH-NE2 3.13Å; F27-Q31 VanDerWaalsContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CB 3.38Å; F27-Q31 WeakPolarHBondContact O-CG 3.47Å; F27-Q31 PolarHBondContact O-N 3.42Å; F27-Q31 PolarHBondContact O-OE1 2.86Å; K28-Q31 PolarHBondContact O-N 3.14Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; L29-Q31 PolarHBondContact O-N 3.17Å; Q31-S34 PolarHBondContact O-N 3.29Å; Q31-D35 PolarHBondContact O-N 3.46Å; Q31-P185 HydrophobicContact CB-CB 4.18Å; Q31-P185 VanDerWaalsContact OE1-CB 3.3Å; Q31-S187 VanDerWaalsContact OE1-CB 3.31Å; Q31-S187 PolarHBondContact OE1-OG 3.38Å
32I98.6Very high97.4Very high0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-66.8-43.9175.2-60.1164.3000109.7K28 L29 S34 D35 Y36 L38 V157 V183 P185 F196 V198K28-I32 VanDerWaalsContact O-CG1 3.25Å; K28-I32 WeakPolarHBondContact O-CG1 3.33Å; K28-I32 PolarHBondContact O-N 2.91Å; L29-I32 PolarHBondContact O-N 3.31Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 2.77Å; I32-D35 PolarHBondContact O-N 2.92Å; I32-Y36 HydrophobicContact CG2-CD2 4.05Å; I32-Y36 WeakPolarHBondContact O-CB 3.26Å; I32-Y36 WeakPolarHBondContact O-CD2 3.19Å; I32-Y36 PolarHBondContact O-N 2.92Å; I32-L38 HydrophobicContact CB-CD1 4.06Å; I32-L38 HydrophobicContact CG2-CD1 3.59Å; I32-L38 HydrophobicContact CG2-CD2 4.37Å; I32-L38 HydrophobicContact CG2-CG 4.17Å; I32-V157 HydrophobicContact CD1-CG1 4.17Å; I32-V183 HydrophobicContact CG1-CG1 4.19Å; I32-P185 HydrophobicContact CD1-CG 3.92Å; I32-P185 HydrophobicContact CG1-CG 3.72Å; I32-F196 HydrophobicContact CD1-CB 3.87Å; I32-F196 HydrophobicContact CD1-CD1 4.09Å; I32-F196 HydrophobicContact CD1-CD2 4.25Å; I32-F196 HydrophobicContact CD1-CG 3.77Å; I32-V198 HydrophobicContact CG2-CG2 3.53Å
33D98.5Very high97.4Very high10 Ų1042.1 Ų42.15%0.05323%0.233CC..Hα-helixtrans-56.8-43.7174.5178.357.9000112L29 D35 Y36 N37 L38 F39 R66L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 3.11Å; D33-D35 PolarHBondContact O-N 3.43Å; D33-D35 VanDerWaalsContact O-N 3.15Å; D33-Y36 PolarHBondContact O-N 2.85Å; D33-N37 VanDerWaalsContact O-CA 3.28Å; D33-N37 WeakPolarHBondContact O-CA 3.21Å; D33-N37 PolarHBondContact O-N 3.32Å; D33-L38 HydrophobicContact CB-CB 4.34Å; D33-L38 HydrophobicContact CB-CD1 4.5Å; D33-L38 PolarHBondContact OD1-N 2.83Å; D33-F39 HydrophobicContact CB-CD2 3.9Å; D33-F39 HydrophobicContact CB-CE2 3.5Å; D33-F39 VanDerWaalsContact CB-CE2 3.5Å; D33-F39 HydrophobicContact CB-CZ 3.99Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.42Å; D33-F39 WeakPolarHBondContact OD1-CG 3.45Å; D33-F39 PolarHBondContact OD1-N 2.69Å; D33-F39 VanDerWaalsContact OD1-N 3.14Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.31Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.44Å; D33-R66 IonicContact OD1-NH2 3.82Å; D33-R66 IonicContact OD2-CZ 2.83Å; D33-R66 IonicContact OD2-NH2 3.93Å; D33-R66 PolarHBondContact OD2-NH2 3.47Å
34S97.8Very high97.5Very high88 Ų8842.1 Ų42.162%0.61523%0.227SC*.Hα-helixtrans-58.3-29.5178.9-175.10000114.3L30 Q31 I32L30-S34 PolarHBondContact O-N 3.44Å; Q31-S34 PolarHBondContact O-N 3.29Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 2.77Å
35D97.7Very high97.7Very high121 Ų12139.7 Ų39.765%0.64722%0.218SC*.Hα-helixtrans-97.9-26.6-177.7-71.4-18.3000112.4Q31 I32 D33Q31-D35 PolarHBondContact O-N 3.46Å; I32-D35 PolarHBondContact O-N 2.92Å; D33-D35 PolarHBondContact O-N 3.43Å; D33-D35 VanDerWaalsContact O-N 3.15Å
36Y98Very high97.8Very high62 Ų6239.1 Ų39.124%0.24321%0.214CC..Hα-helixtrans-115.1-7.6-172.2-73.3-95.1000114.8I32 D33 L38 D181 V183 V198I32-Y36 HydrophobicContact CG2-CD2 4.05Å; I32-Y36 WeakPolarHBondContact O-CB 3.26Å; I32-Y36 WeakPolarHBondContact O-CD2 3.19Å; I32-Y36 PolarHBondContact O-N 2.92Å; D33-Y36 PolarHBondContact O-N 2.85Å; Y36-L38 VanDerWaalsContact C-N 3.33Å; Y36-L38 PolarHBondContact O-N 3.15Å; Y36-D181 HydrophobicContact CE1-CB 3.99Å; Y36-D181 WeakPolarHBondContact CE1-OD2 3.38Å; Y36-D181 WeakPolarHBondContact OH-CB 3.43Å; Y36-V183 HydrophobicContact CD2-CG2 4.46Å; Y36-V183 HydrophobicContact CE2-CG1 4.29Å; Y36-V183 HydrophobicContact CE2-CG2 3.47Å; Y36-V183 VanDerWaalsContact CE2-CG2 3.47Å; Y36-V183 VanDerWaalsContact OH-CG2 3.29Å; Y36-V183 WeakPolarHBondContact OH-CG2 3.19Å; Y36-V198 HydrophobicContact CD1-CB 4.34Å; Y36-V198 HydrophobicContact CD1-CG1 3.7Å; Y36-V198 HydrophobicContact CD2-CG2 4.49Å; Y36-V198 HydrophobicContact CE1-CB 4.27Å; Y36-V198 HydrophobicContact CE1-CG1 4.07Å; Y36-V198 HydrophobicContact CG-CG1 4.08Å
37N97.5Very high97.9Very high93 Ų9339.1 Ų39.150%0.49721%0.214SC..  trans50.451.1-173.5-51.2-62.3000111.9D33 F39 D40D33-N37 VanDerWaalsContact O-CA 3.28Å; D33-N37 WeakPolarHBondContact O-CA 3.21Å; D33-N37 PolarHBondContact O-N 3.32Å; N37-F39 PolarHBondContact O-N 2.97Å; N37-F39 VanDerWaalsContact O-N 3.13Å; N37-D40 HydrophobicContact CB-CB 4.41Å; N37-D40 WeakPolarHBondContact CB-OD2 3.18Å; N37-D40 PolarHBondContact O-N 3.47Å
38L97.9Very high97.9Very high8 Ų838.4 Ų38.44%0.04221%0.211CC..THydrogen-bonded Turntrans-59-28.1-173.5-66.4-178.9000112.8L29 I32 D33 Y36 V42 T155 V157 V198L29-L38 HydrophobicContact CD1-CD1 3.77Å; I32-L38 HydrophobicContact CB-CD1 4.06Å; I32-L38 HydrophobicContact CG2-CD1 3.59Å; I32-L38 HydrophobicContact CG2-CD2 4.37Å; I32-L38 HydrophobicContact CG2-CG 4.17Å; D33-L38 HydrophobicContact CB-CB 4.34Å; D33-L38 HydrophobicContact CB-CD1 4.5Å; D33-L38 PolarHBondContact OD1-N 2.83Å; Y36-L38 VanDerWaalsContact C-N 3.33Å; Y36-L38 PolarHBondContact O-N 3.15Å; L38-V42 VanDerWaalsContact O-CG2 3.26Å; L38-V42 WeakPolarHBondContact O-CG2 3.13Å; L38-T155 HydrophobicContact CD2-CG2 3.89Å; L38-V157 HydrophobicContact CD1-CG2 3.94Å; L38-V157 HydrophobicContact CD2-CG2 3.86Å; L38-V198 HydrophobicContact CD2-CG1 4.07Å
39F98Very high97.9Very high1 Ų138.8 Ų38.80%0.00422%0.216CC..THydrogen-bonded Turntrans-93.5-1.6-173.8-55.7-35.2000114.6L29 D33 N37 G41 V42 V58 L59 E62 L63 L115L29-F39 HydrophobicContact CD1-CZ 4.43Å; L29-F39 HydrophobicContact CD2-CZ 4.17Å; L29-F39 HydrophobicContact CG-CZ 3.99Å; D33-F39 HydrophobicContact CB-CD2 3.9Å; D33-F39 HydrophobicContact CB-CE2 3.5Å; D33-F39 VanDerWaalsContact CB-CE2 3.5Å; D33-F39 HydrophobicContact CB-CZ 3.99Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.42Å; D33-F39 WeakPolarHBondContact OD1-CG 3.45Å; D33-F39 PolarHBondContact OD1-N 2.69Å; D33-F39 VanDerWaalsContact OD1-N 3.14Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.31Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.44Å; N37-F39 PolarHBondContact O-N 2.97Å; N37-F39 VanDerWaalsContact O-N 3.13Å; F39-G41 PolarHBondContact O-N 3.18Å; F39-V42 PolarHBondContact O-N 3.43Å; F39-V58 HydrophobicContact CE2-CG1 4.09Å; F39-V58 HydrophobicContact CZ-CG1 3.83Å; F39-L59 HydrophobicContact CD1-CD2 4.29Å; F39-L59 HydrophobicContact CE1-CD2 3.62Å; F39-L59 HydrophobicContact CZ-CD2 4.36Å; F39-E62 HydrophobicContact CD2-CB 3.42Å; F39-E62 VanDerWaalsContact CD2-CB 3.42Å; F39-E62 HydrophobicContact CD2-CG 4.03Å; F39-E62 HydrophobicContact CE2-CB 3.51Å; F39-E62 HydrophobicContact CE2-CG 3.71Å; F39-E62 HydrophobicContact CG-CB 4.25Å; F39-E62 HydrophobicContact CZ-CB 4.39Å; F39-L63 HydrophobicContact CB-CD2 3.87Å; F39-L63 HydrophobicContact CD1-CD2 4.21Å; F39-L63 HydrophobicContact CG-CD2 4.24Å; F39-L115 HydrophobicContact CD1-CD2 3.79Å; F39-L115 HydrophobicContact CE1-CD2 3.85Å
40D95.7Very high97.9Very high100 Ų10039 Ų3954%0.53522%0.218SC..THydrogen-bonded Turntrans-70.4124.2-179.5-75.72.5000111N37 V42 R66N37-D40 HydrophobicContact CB-CB 4.41Å; N37-D40 WeakPolarHBondContact CB-OD2 3.18Å; N37-D40 PolarHBondContact O-N 3.47Å; D40-V42 PolarHBondContact O-N 3.03Å; D40-R66 IonicContact OD1-NE 3.89Å
41G94.7Very high97.9Very high68 Ų6838.4 Ų38.470%0.70122%0.218SC*.THydrogen-bonded Turntrans71.33.6-179.600000115.3F39F39-G41 PolarHBondContact O-N 3.18Å
42V98Very high97.8Very high8 Ų839.4 Ų39.45%0.04823%0.228CC..  trans-80.9126.1179.4176.20000110.3L38 F39 D40 A45 L63 E114 L115L38-V42 VanDerWaalsContact O-CG2 3.26Å; L38-V42 WeakPolarHBondContact O-CG2 3.13Å; F39-V42 PolarHBondContact O-N 3.43Å; D40-V42 PolarHBondContact O-N 3.03Å; V42-A45 HydrophobicContact CG1-CB 4.11Å; V42-L63 HydrophobicContact CB-CD2 3.74Å; V42-L63 HydrophobicContact CG1-CD1 4.11Å; V42-L63 HydrophobicContact CG1-CD2 3.77Å; V42-E114 HydrophobicContact CB-CB 4.49Å; V42-E114 HydrophobicContact CG1-CB 4.4Å; V42-E114 HydrophobicContact CG2-CB 4.16Å; V42-L115 HydrophobicContact CG1-CB 3.79Å; V42-L115 HydrophobicContact CG1-CD2 4.42Å; V42-L115 HydrophobicContact CG2-CB 3.95Å
43R97.2Very high97.8Very high121 Ų12139.4 Ų39.446%0.45723%0.228SC..  trans-115.4-33.2173.8-69.3174.6-66.6154.13.9111.9L67 Q73 E114R43-L67 HydrophobicContact CG-CD1 4.37Å; R43-L67 HydrophobicContact CG-CD2 3.78Å; R43-Q73 PolarHBondContact O-N 3.39Å; R43-E114 PolarHBondContact N-OE2 2.79Å; R43-E114 IonicContact NE-OE1 3.19Å; R43-E114 IonicContact NH2-OE1 2.69Å; R43-E114 PolarHBondContact NH2-OE1 2.8Å
44R98.4Very high97.7Very high25 Ų2539.1 Ų39.19%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-118.2120.6179.7-68175.7-52.3-58.8-2.2109.1Q73 F108 K112 A113 E114 L115R44-Q73 VanDerWaalsContact CA-O 3.29Å; R44-Q73 WeakPolarHBondContact CA-O 3.14Å; R44-Q73 HydrophobicContact CG-CB 4.04Å; R44-F108 HydrophobicContact CB-CD1 4.15Å; R44-F108 HydrophobicContact CB-CE1 3.94Å; R44-F108 HydrophobicContact CB-CZ 4.18Å; R44-F108 HydrophobicContact CG-CD1 3.84Å; R44-F108 HydrophobicContact CG-CE1 4.05Å; R44-F108 HydrophobicContact CG-CG 4.38Å; R44-K112 PolarHBondContact NE-O 2.9Å; R44-K112 PolarHBondContact NH2-O 3.23Å; R44-A113 HydrophobicContact CB-CB 4.28Å; R44-E114 IonicContact CZ-OE1 3.51Å; R44-E114 IonicContact CZ-OE2 3.23Å; R44-E114 PolarHBondContact N-OE2 2.8Å; R44-E114 IonicContact NH1-OE1 3.29Å; R44-E114 PolarHBondContact NH1-OE1 3.04Å; R44-E114 IonicContact NH1-OE2 3.42Å; R44-E114 PolarHBondContact NH1-OE2 3.23Å; R44-E114 VanDerWaalsContact NH2-CD 3.28Å; R44-E114 IonicContact NH2-OE1 3.74Å; R44-E114 PolarHBondContact NH2-OE1 2.77Å; R44-E114 IonicContact NH2-OE2 3.3Å; R44-E114 PolarHBondContact O-N 2.79Å; R44-L115 PolarHBondContact O-N 3.3Å
45A98.7Very high97.8Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-129.7145.8179.100000111.6V42 L59 L63 Q73 I74 V75 L115V42-A45 HydrophobicContact CG1-CB 4.11Å; A45-L59 HydrophobicContact CB-CD1 4.2Å; A45-L59 HydrophobicContact CB-CD2 4.14Å; A45-L63 HydrophobicContact CB-CD1 3.95Å; A45-Q73 PolarHBondContact N-O 3.46Å; A45-I74 WeakPolarHBondContact O-CA 3.41Å; A45-V75 PolarHBondContact O-N 3.07Å; A45-L115 CarbonylContact C-O 3.52Å; A45-L115 VanDerWaalsContact CA-O 3.24Å; A45-L115 WeakPolarHBondContact CA-O 3.43Å; A45-L115 HydrophobicContact CB-CB 4.29Å
46V98.8Very high97.8Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-121.2130.1175.3-177.20000109.8L48 V75 V77 I104 F108 A113 L115 V116 V117 I149V46-L48 HydrophobicContact CG1-CD2 3.61Å; V46-L48 HydrophobicContact CG1-CG 4.07Å; V46-V75 CarbonylContact C-O 3.55Å; V46-V75 VanDerWaalsContact CA-O 3.27Å; V46-V75 WeakPolarHBondContact CA-O 3.47Å; V46-V77 HydrophobicContact CG1-CG2 4.47Å; V46-I104 HydrophobicContact CG1-CD1 4.34Å; V46-I104 HydrophobicContact CG2-CG2 3.85Å; V46-F108 HydrophobicContact CG2-CE2 3.49Å; V46-F108 VanDerWaalsContact CG2-CE2 3.49Å; V46-F108 HydrophobicContact CG2-CZ 3.73Å; V46-A113 HydrophobicContact CG2-CB 3.86Å; V46-L115 PolarHBondContact N-O 3.47Å; V46-V116 HydrophobicContact CB-CG2 4.17Å; V46-V116 CarbonylContact O-C 3.6Å; V46-V116 WeakPolarHBondContact O-CA 3.46Å; V46-V117 PolarHBondContact O-N 3.41Å; V46-I149 HydrophobicContact CB-CD1 4.24Å; V46-I149 HydrophobicContact CG1-CD1 4Å; V46-I149 HydrophobicContact CG2-CD1 4.13Å
47D98.8Very high97.8Very high1 Ų128 Ų281%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-106.4106.2173.4-170.413.9000108.4A50 W55 S56 L59 V75 A76 V77 V117D47-A50 HydrophobicContact CB-CB 3.98Å; D47-A50 VanDerWaalsContact CG-CB 3.47Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 WeakPolarHBondContact OD2-CB 3.28Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; D47-S56 WeakPolarHBondContact OD2-CA 3.26Å; D47-S56 WeakPolarHBondContact OD2-CB 3.43Å; D47-S56 PolarHBondContact OD2-N 3.27Å; D47-S56 PolarHBondContact OD2-OG 2.88Å; D47-L59 HydrophobicContact CB-CD1 3.95Å; D47-V75 PolarHBondContact N-O 3.05Å; D47-A76 HydrophobicContact CB-CB 4.41Å; D47-A76 CarbonylContact O-C 3.38Å; D47-A76 WeakPolarHBondContact O-CA 3.34Å; D47-V77 PolarHBondContact O-N 2.89Å; D47-V117 HydrophobicContact CB-CG2 4.06Å
48L98.6Very high97.9Very high0 Ų023.6 Ų23.60%014%0.14CC..EExtended strand (participates in β ladder)trans-93.3142.7179-58.8176.8000110.2V46 A50 V77 I95 V116 V117 C118 A142 I145V46-L48 HydrophobicContact CG1-CD2 3.61Å; V46-L48 HydrophobicContact CG1-CG 4.07Å; L48-A50 PolarHBondContact O-N 3.48Å; L48-V77 HydrophobicContact CD2-CB 4.18Å; L48-V77 HydrophobicContact CD2-CG2 4.23Å; L48-I95 HydrophobicContact CB-CG2 4.38Å; L48-I95 HydrophobicContact CD2-CG2 3.98Å; L48-V116 HydrophobicContact CD1-CG1 3.55Å; L48-V116 HydrophobicContact CG-CG1 3.92Å; L48-V117 PolarHBondContact N-O 2.88Å; L48-C118 HydrophobicContact CB-CB 4.06Å; L48-C118 WeakPolarHBondContact O-CA 3.48Å; L48-A142 HydrophobicContact CD1-CB 3.96Å; L48-I145 HydrophobicContact CD1-CG2 3.67Å; L48-I145 HydrophobicContact CD2-CG2 4.37Å
49C97.8Very high97.9Very high26 Ų2623.2 Ų23.218%0.17614%0.138CC..THydrogen-bonded Turntrans52.248.4-171.1-55.90000110.9A51 V77 D78 G120C49-A51 PolarHBondContact O-N 3.38Å; C49-V77 WeakPolarHBondContact CA-O 3.39Å; C49-V77 PolarHBondContact N-O 3.47Å; C49-D78 VanDerWaalsContact CA-OD2 3.25Å; C49-D78 WeakPolarHBondContact CA-OD2 3.27Å; C49-G120 VanDerWaalsContact CB-CA 3.4Å
50A98.1Very high97.9Very high5 Ų524.6 Ų24.64%0.04115%0.145CC..  trans-74.6-23.6-164.900000114.3D47 L48 G53 A76 V77 D78 M82D47-A50 HydrophobicContact CB-CB 3.98Å; D47-A50 VanDerWaalsContact CG-CB 3.47Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 WeakPolarHBondContact OD2-CB 3.28Å; L48-A50 PolarHBondContact O-N 3.48Å; A50-G53 WeakPolarHBondContact O-CA 3.15Å; A50-G53 PolarHBondContact O-N 3.31Å; A50-A76 HydrophobicContact CB-CB 3.82Å; A50-V77 PolarHBondContact N-O 3.35Å; A50-D78 PolarHBondContact N-OD2 2.84Å; A50-M82 HydrophobicContact CB-CE 3.58Å; A50-M82 HydrophobicContact CB-SD 4.48Å
51A97.5Very high98Very high24 Ų2425.4 Ų25.420%0.19814%0.141CC..THydrogen-bonded Turntrans-60.7134.7-17200000111C49 D78 Q80 M82C49-A51 PolarHBondContact O-N 3.38Å; A51-D78 HydrophobicContact CB-CB 3.97Å; A51-D78 VanDerWaalsContact CB-CG 3.42Å; A51-D78 VanDerWaalsContact CB-OD2 3.29Å; A51-D78 WeakPolarHBondContact CB-OD2 3.42Å; A51-D78 PolarHBondContact N-OD2 3.17Å; A51-Q80 HydrophobicContact CB-CB 4.04Å; A51-M82 HydrophobicContact CB-CE 4.28Å
52P97.5Very high98.1Very high67 Ų6723.2 Ų23.244%0.43511%0.112SC..THydrogen-bonded Turncis-87.29.99.836-38000114.8R22 A23R22-P52 HydrophobicContact CB-CG 4.36Å; R22-P52 WeakPolarHBondContact CD-O 3.48Å; R22-P52 PolarHBondContact NH1-O 3.27Å; A23-P52 HydrophobicContact CB-CG 4.2Å
53G97.6Very high98.1Very high0 Ų022.9 Ų22.90%011%0.11CC..  trans101.219.6174.700000114.3A50 S56 Q57 I85A50-G53 WeakPolarHBondContact O-CA 3.15Å; A50-G53 PolarHBondContact O-N 3.31Å; G53-S56 WeakPolarHBondContact O-CB 3.29Å; G53-S56 PolarHBondContact O-N 2.73Å; G53-Q57 WeakPolarHBondContact O-CG 3.28Å; G53-Q57 PolarHBondContact O-N 3.07Å; G53-I85 VanDerWaalsContact O-CD1 3.25Å; G53-I85 WeakPolarHBondContact O-CD1 3.31Å
54S98Very high98.1Very high4 Ų419.4 Ų19.43%0.02810%0.104CC..Hα-helixtrans-68.8-35.2-177.167.50000113.6S25 Q57 V58S25-S54 PolarHBondContact OG-OG 2.83Å; S54-Q57 PolarHBondContact O-N 3.04Å; S54-V58 WeakPolarHBondContact O-CG2 3.04Å; S54-V58 PolarHBondContact O-N 2.98Å
55W98.6Very high98Very high3 Ų324 Ų241%0.01113%0.125CC..Hα-helixtrans-74.2-40174.6-8022.4000110.7S25 K28 L29 D47 Q57 V58 L59 V117 D119 V157 F196S25-W55 PolarHBondContact O-NE1 3.28Å; K28-W55 HydrophobicContact CB-CZ2 4.29Å; L29-W55 HydrophobicContact CB-CD2 3.96Å; L29-W55 HydrophobicContact CB-CG 4.13Å; L29-W55 HydrophobicContact CB-CZ2 4.06Å; L29-W55 HydrophobicContact CD1-CE3 4.42Å; L29-W55 HydrophobicContact CD1-CZ3 4.4Å; L29-W55 HydrophobicContact CD2-CB 3.91Å; L29-W55 HydrophobicContact CD2-CD2 3.89Å; L29-W55 HydrophobicContact CD2-CE3 4.19Å; L29-W55 HydrophobicContact CD2-CG 3.81Å; L29-W55 HydrophobicContact CG-CD2 4.34Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; W55-Q57 VanDerWaalsContact C-N 3.29Å; W55-Q57 PolarHBondContact O-N 3.28Å; W55-V58 CarbonylContact O-C 3.56Å; W55-V58 WeakPolarHBondContact O-CA 3.5Å; W55-V58 WeakPolarHBondContact O-CB 3.44Å; W55-V58 PolarHBondContact O-N 2.91Å; W55-L59 WeakPolarHBondContact O-CG 3.49Å; W55-L59 PolarHBondContact O-N 3.05Å; W55-V117 HydrophobicContact CE3-CB 3.61Å; W55-V117 HydrophobicContact CE3-CG2 3.68Å; W55-V117 HydrophobicContact CZ3-CB 3.69Å; W55-V117 HydrophobicContact CZ3-CG2 4.29Å; W55-D119 HydrophobicContact CD2-CB 3.75Å; W55-D119 HydrophobicContact CE3-CB 3.91Å; W55-D119 HydrophobicContact CG-CB 4.42Å; W55-D119 HydrophobicContact CH2-CB 3.93Å; W55-D119 HydrophobicContact CZ2-CB 3.72Å; W55-D119 HydrophobicContact CZ3-CB 4Å; W55-V157 HydrophobicContact CH2-CG1 4.34Å; W55-F196 AromaticContact CH2-CD1 3.77Å; W55-F196 HydrophobicContact CH2-CD1 3.77Å; W55-F196 AromaticContact CH2-CE1 3.45Å; W55-F196 HydrophobicContact CH2-CE1 3.45Å; W55-F196 VanDerWaalsContact CH2-CE1 3.45Å; W55-F196 HydrophobicContact CH2-CZ 4.48Å; W55-F196 HydrophobicContact CZ2-CD1 4.21Å; W55-F196 AromaticContact CZ2-CE1 3.55Å; W55-F196 HydrophobicContact CZ2-CE1 3.55Å; W55-F196 HydrophobicContact CZ2-CZ 4.17Å
56S98.7Very high97.8Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-52.5-43.1168.1-63.50000113.1D47 G53 V58 L59 I60 A76D47-S56 WeakPolarHBondContact OD2-CA 3.26Å; D47-S56 WeakPolarHBondContact OD2-CB 3.43Å; D47-S56 PolarHBondContact OD2-N 3.27Å; D47-S56 PolarHBondContact OD2-OG 2.88Å; G53-S56 WeakPolarHBondContact O-CB 3.29Å; G53-S56 PolarHBondContact O-N 2.73Å; S56-V58 VanDerWaalsContact C-N 3.33Å; S56-V58 PolarHBondContact O-N 3.04Å; S56-L59 PolarHBondContact O-N 3.01Å; S56-I60 WeakPolarHBondContact O-CG2 3.29Å; S56-I60 PolarHBondContact O-N 3.44Å; S56-A76 VanDerWaalsContact OG-CB 3.27Å; S56-A76 WeakPolarHBondContact OG-CB 3.3Å
57Q98.5Very high97.6Very high35 Ų3530.6 Ų30.616%0.16415%0.153CC..Hα-helixtrans-62.1-40.4173.7-71-179.8-62.600112.1G20 W21 G53 S54 W55 I60 R61 I85G20-Q57 PolarHBondContact O-NE2 3.32Å; W21-Q57 HydrophobicContact CE3-CB 3.74Å; W21-Q57 HydrophobicContact CZ3-CB 3.6Å; G53-Q57 WeakPolarHBondContact O-CG 3.28Å; G53-Q57 PolarHBondContact O-N 3.07Å; S54-Q57 PolarHBondContact O-N 3.04Å; W55-Q57 VanDerWaalsContact C-N 3.29Å; W55-Q57 PolarHBondContact O-N 3.28Å; Q57-I60 VanDerWaalsContact O-CG2 3.3Å; Q57-I60 WeakPolarHBondContact O-CG2 3.33Å; Q57-R61 VanDerWaalsContact O-CB 3.31Å; Q57-R61 WeakPolarHBondContact O-CB 3.42Å; Q57-R61 PolarHBondContact O-N 3.47Å; Q57-I85 HydrophobicContact CG-CD1 3.87Å; Q57-I85 HydrophobicContact CG-CG1 4.44Å
58V98.7Very high97.1Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-65.2-49178170.70000109.7W21 A26 L29 L30 F39 S54 W55 S56 I60 R61 E62W21-V58 HydrophobicContact CE3-CG2 4.12Å; W21-V58 HydrophobicContact CH2-CB 4.47Å; W21-V58 HydrophobicContact CH2-CG2 3.82Å; W21-V58 HydrophobicContact CZ2-CG2 4.43Å; W21-V58 HydrophobicContact CZ3-CB 4.37Å; W21-V58 HydrophobicContact CZ3-CG2 3.67Å; A26-V58 HydrophobicContact CB-CG2 3.67Å; L29-V58 HydrophobicContact CB-CG1 4.4Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.85Å; L29-V58 HydrophobicContact CG-CG1 4.07Å; L30-V58 HydrophobicContact CD1-CG2 4.37Å; L30-V58 HydrophobicContact CD2-CG1 3.7Å; L30-V58 HydrophobicContact CD2-CG2 4.45Å; L30-V58 HydrophobicContact CG-CG1 3.95Å; L30-V58 HydrophobicContact CG-CG2 4.07Å; F39-V58 HydrophobicContact CE2-CG1 4.09Å; F39-V58 HydrophobicContact CZ-CG1 3.83Å; S54-V58 WeakPolarHBondContact O-CG2 3.04Å; S54-V58 PolarHBondContact O-N 2.98Å; W55-V58 CarbonylContact O-C 3.56Å; W55-V58 WeakPolarHBondContact O-CA 3.5Å; W55-V58 WeakPolarHBondContact O-CB 3.44Å; W55-V58 PolarHBondContact O-N 2.91Å; S56-V58 VanDerWaalsContact C-N 3.33Å; S56-V58 PolarHBondContact O-N 3.04Å; V58-I60 PolarHBondContact O-N 3.48Å; V58-R61 PolarHBondContact O-N 2.9Å; V58-E62 HydrophobicContact CG1-CG 4.06Å; V58-E62 VanDerWaalsContact O-CB 3.31Å; V58-E62 WeakPolarHBondContact O-CB 3.5Å; V58-E62 WeakPolarHBondContact O-CG 3.04Å; V58-E62 PolarHBondContact O-N 3.41Å
59L98.7Very high96.7Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-54.8-52.6178.7-68.1173.6000111.4L29 F39 A45 D47 W55 S56 R61 E62 L63 I74 L115 V117L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.4Å; F39-L59 HydrophobicContact CD1-CD2 4.29Å; F39-L59 HydrophobicContact CE1-CD2 3.62Å; F39-L59 HydrophobicContact CZ-CD2 4.36Å; A45-L59 HydrophobicContact CB-CD1 4.2Å; A45-L59 HydrophobicContact CB-CD2 4.14Å; D47-L59 HydrophobicContact CB-CD1 3.95Å; W55-L59 WeakPolarHBondContact O-CG 3.49Å; W55-L59 PolarHBondContact O-N 3.05Å; S56-L59 PolarHBondContact O-N 3.01Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.43Å; L59-E62 PolarHBondContact O-N 2.91Å; L59-L63 HydrophobicContact CB-CD1 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 2.81Å; L59-I74 HydrophobicContact CB-CD1 3.86Å; L59-I74 HydrophobicContact CB-CG2 4.28Å; L59-I74 HydrophobicContact CD1-CG2 4.02Å; L59-L115 HydrophobicContact CD2-CD2 3.88Å; L59-V117 HydrophobicContact CD1-CG2 3.93Å
60I98Very high96.5Very high29 Ų2947.4 Ų47.415%0.14925%0.245CC..Hα-helixtrans-63.4-40.7-178.1-173.158.9000111.9S56 Q57 V58 S64 P72 I74 I85 V88S56-I60 WeakPolarHBondContact O-CG2 3.29Å; S56-I60 PolarHBondContact O-N 3.44Å; Q57-I60 VanDerWaalsContact O-CG2 3.3Å; Q57-I60 WeakPolarHBondContact O-CG2 3.33Å; V58-I60 PolarHBondContact O-N 3.48Å; I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 3.26Å; I60-S64 PolarHBondContact O-OG 3.17Å; I60-P72 HydrophobicContact CD1-CG 3.7Å; I60-I74 HydrophobicContact CB-CD1 3.73Å; I60-I74 HydrophobicContact CD1-CD1 3.89Å; I60-I74 HydrophobicContact CG1-CD1 4.41Å; I60-I74 VanDerWaalsContact N-CD1 3.34Å; I60-I85 HydrophobicContact CG2-CG2 4.12Å; I60-V88 HydrophobicContact CB-CG2 3.94Å; I60-V88 HydrophobicContact CG1-CG2 4.47Å; I60-V88 HydrophobicContact CG2-CG2 4.3Å
61R97Very high96.3Very high118 Ų11856.2 Ų56.245%0.44528%0.282SS..Hα-helixtrans-69.9-42.7-178.7-172.3177.9-176.6-179.3-4.6111.9W21 Q57 V58 L59 K65W21-R61 HydrophobicContact CH2-CB 4.34Å; Q57-R61 VanDerWaalsContact O-CB 3.31Å; Q57-R61 WeakPolarHBondContact O-CB 3.42Å; Q57-R61 PolarHBondContact O-N 3.47Å; V58-R61 PolarHBondContact O-N 2.9Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.43Å; R61-K65 WeakPolarHBondContact O-CD 3.35Å; R61-K65 VanDerWaalsContact O-CG 3.23Å; R61-K65 WeakPolarHBondContact O-CG 3.38Å; R61-K65 PolarHBondContact O-N 2.95Å
62E97.8Very high96.2Very high22 Ų2255.5 Ų55.510%0.10328%0.276CS..Hα-helixtrans-81.3-35.5-174.4-68.7-52.6128.200113.2L30 F39 V58 L59 K65 R66L30-E62 HydrophobicContact CD2-CG 3.91Å; F39-E62 HydrophobicContact CD2-CB 3.42Å; F39-E62 VanDerWaalsContact CD2-CB 3.42Å; F39-E62 HydrophobicContact CD2-CG 4.03Å; F39-E62 HydrophobicContact CE2-CB 3.51Å; F39-E62 HydrophobicContact CE2-CG 3.71Å; F39-E62 HydrophobicContact CG-CB 4.25Å; F39-E62 HydrophobicContact CZ-CB 4.39Å; V58-E62 HydrophobicContact CG1-CG 4.06Å; V58-E62 VanDerWaalsContact O-CB 3.31Å; V58-E62 WeakPolarHBondContact O-CB 3.5Å; V58-E62 WeakPolarHBondContact O-CG 3.04Å; V58-E62 PolarHBondContact O-N 3.41Å; L59-E62 PolarHBondContact O-N 2.91Å; E62-K65 IonicContact OE1-NZ 2.88Å; E62-K65 PolarHBondContact OE1-NZ 3.26Å; E62-K65 IonicContact OE2-NZ 2.92Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 2.93Å; E62-R66 PolarHBondContact O-NH1 2.83Å; E62-R66 VanDerWaalsContact O-NH1 3.11Å; E62-R66 IonicContact OE2-CZ 2.64Å; E62-R66 IonicContact OE2-NH1 3.42Å; E62-R66 PolarHBondContact OE2-NH1 2.85Å
63L98.1Very high96.3Very high0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-72.7-41.7175.5-62.9175.1000111.5F39 V42 A45 L59 K65 R66 L67 P72 I74F39-L63 HydrophobicContact CB-CD2 3.87Å; F39-L63 HydrophobicContact CD1-CD2 4.21Å; F39-L63 HydrophobicContact CG-CD2 4.24Å; V42-L63 HydrophobicContact CB-CD2 3.74Å; V42-L63 HydrophobicContact CG1-CD1 4.11Å; V42-L63 HydrophobicContact CG1-CD2 3.77Å; A45-L63 HydrophobicContact CB-CD1 3.95Å; L59-L63 HydrophobicContact CB-CD1 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 2.81Å; L63-K65 PolarHBondContact O-N 3.38Å; L63-R66 PolarHBondContact O-N 2.83Å; L63-L67 HydrophobicContact CB-CD1 4.45Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 WeakPolarHBondContact O-CG 3.33Å; L63-L67 PolarHBondContact O-N 3.22Å; L63-P72 HydrophobicContact CB-CB 3.66Å; L63-P72 HydrophobicContact CB-CG 3.94Å; L63-P72 HydrophobicContact CD1-CB 4.03Å; L63-I74 HydrophobicContact CD1-CD1 4.07Å; L63-I74 HydrophobicContact CD1-CG1 4.16Å
64S96.7Very high96.3Very high49 Ų4955.6 Ų55.634%0.34327%0.27SS..Hα-helixtrans-61-34177.4-58.10000112.5I60 R66 G68I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 3.26Å; I60-S64 PolarHBondContact O-OG 3.17Å; S64-R66 VanDerWaalsContact C-N 3.33Å; S64-G68 PolarHBondContact O-N 3.05Å
65K95.7Very high96.3Very high120 Ų12055.4 Ų55.452%0.52227%0.269SS..Hα-helixtrans-65.9-34.2174.7-74.1168.8-175.51740112.9R61 E62 L63R61-K65 WeakPolarHBondContact O-CD 3.35Å; R61-K65 VanDerWaalsContact O-CG 3.23Å; R61-K65 WeakPolarHBondContact O-CG 3.38Å; R61-K65 PolarHBondContact O-N 2.95Å; E62-K65 IonicContact OE1-NZ 2.88Å; E62-K65 PolarHBondContact OE1-NZ 3.26Å; E62-K65 IonicContact OE2-NZ 2.92Å; L63-K65 PolarHBondContact O-N 3.38Å
66R95.1Very high96.3Very high100 Ų10055.3 Ų55.338%0.37727%0.268SS..Hα-helixtrans-88.5-32.4-174.5-71.8172.4173.280.3-12.8112.8D33 D40 E62 L63 S64D33-R66 IonicContact OD1-NH2 3.82Å; D33-R66 IonicContact OD2-CZ 2.83Å; D33-R66 IonicContact OD2-NH2 3.93Å; D33-R66 PolarHBondContact OD2-NH2 3.47Å; D40-R66 IonicContact OD1-NE 3.89Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 2.93Å; E62-R66 PolarHBondContact O-NH1 2.83Å; E62-R66 VanDerWaalsContact O-NH1 3.11Å; E62-R66 IonicContact OE2-CZ 2.64Å; E62-R66 IonicContact OE2-NH1 3.42Å; E62-R66 PolarHBondContact OE2-NH1 2.85Å; L63-R66 PolarHBondContact O-N 2.83Å; S64-R66 VanDerWaalsContact C-N 3.33Å
67L94Very high96.3Very high40 Ų4055.3 Ų55.321%0.20927%0.268CS..Hα-helixtrans-87.4-14.8-178.2-65.2175.2000114.1R43 L63 E69 E70 P72R43-L67 HydrophobicContact CG-CD1 4.37Å; R43-L67 HydrophobicContact CG-CD2 3.78Å; L63-L67 HydrophobicContact CB-CD1 4.45Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 WeakPolarHBondContact O-CG 3.33Å; L63-L67 PolarHBondContact O-N 3.22Å; L67-E69 PolarHBondContact O-N 3.36Å; L67-E70 HydrophobicContact CB-CB 4.23Å; L67-E70 VanDerWaalsContact CB-O 3.26Å; L67-E70 WeakPolarHBondContact CB-O 3.43Å; L67-E70 PolarHBondContact O-N 3Å; L67-P72 HydrophobicContact CD1-CB 3.75Å; L67-P72 HydrophobicContact CD1-CG 4.46Å
68G89.1Confident96.3Very high60 Ų6054.6 Ų54.662%0.61927%0.266SS*.THydrogen-bonded Turntrans68-112.1176.900000112.5S64S64-G68 PolarHBondContact O-N 3.05Å
69E89.6Confident96.3Very high196 Ų19659.8 Ų59.892%0.91629%0.293SS*.THydrogen-bonded Turntrans-77.3-26.4-179.6-64.4-174.5173.600112.9L67L67-E69 PolarHBondContact O-N 3.36Å
70E92.8Very high96.1Very high124 Ų12466.3 Ų66.358%0.57932%0.323SS*.SBendtrans-72.8128.5176.5-69.7-173-173.600110.4L67L67-E70 HydrophobicContact CB-CB 4.23Å; L67-E70 VanDerWaalsContact CB-O 3.26Å; L67-E70 WeakPolarHBondContact CB-O 3.43Å; L67-E70 PolarHBondContact O-N 3Å
71K93.9Very high96.1Very high189 Ų18973 Ų7382%0.82235%0.354SS*.PPolyproline II helixtrans-82.2128.1178-67.3-178-178.8177.10109.9
72P97.1Very high96Very high10 Ų1068.2 Ų68.27%0.06534%0.337CS..PPolyproline II helixtrans-64.2147.3171.528.4-34.4000110.2I60 L63 L67 I74I60-P72 HydrophobicContact CD1-CG 3.7Å; L63-P72 HydrophobicContact CB-CB 3.66Å; L63-P72 HydrophobicContact CB-CG 3.94Å; L63-P72 HydrophobicContact CD1-CB 4.03Å; L67-P72 HydrophobicContact CD1-CB 3.75Å; L67-P72 HydrophobicContact CD1-CG 4.46Å; P72-I74 HydrophobicContact CB-CD1 4.17Å; P72-I74 HydrophobicContact CB-CG1 4.16Å; P72-I74 HydrophobicContact CG-CD1 4.17Å
73Q97.9Very high96Very high68 Ų6872 Ų7232%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-101.7117170.8-59177.8-83.500108R43 R44 A45 F108R43-Q73 PolarHBondContact O-N 3.39Å; R44-Q73 VanDerWaalsContact CA-O 3.29Å; R44-Q73 WeakPolarHBondContact CA-O 3.14Å; R44-Q73 HydrophobicContact CG-CB 4.04Å; A45-Q73 PolarHBondContact N-O 3.46Å; Q73-F108 HydrophobicContact CB-CD1 3.93Å; Q73-F108 HydrophobicContact CB-CE1 3.74Å
74I98.5Very high96Very high1 Ų176.8 Ų76.81%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-128.4129.1-174.9-55.6168.8000108.4A45 L59 I60 L63 P72 V88 L89A45-I74 WeakPolarHBondContact O-CA 3.41Å; L59-I74 HydrophobicContact CB-CD1 3.86Å; L59-I74 HydrophobicContact CB-CG2 4.28Å; L59-I74 HydrophobicContact CD1-CG2 4.02Å; I60-I74 HydrophobicContact CB-CD1 3.73Å; I60-I74 HydrophobicContact CD1-CD1 3.89Å; I60-I74 HydrophobicContact CG1-CD1 4.41Å; I60-I74 VanDerWaalsContact N-CD1 3.34Å; L63-I74 HydrophobicContact CD1-CD1 4.07Å; L63-I74 HydrophobicContact CD1-CG1 4.16Å; P72-I74 HydrophobicContact CB-CD1 4.17Å; P72-I74 HydrophobicContact CB-CG1 4.16Å; P72-I74 HydrophobicContact CG-CD1 4.17Å; I74-V88 HydrophobicContact CB-CG1 4.33Å; I74-V88 HydrophobicContact CB-CG2 4.17Å; I74-V88 HydrophobicContact CD1-CG2 4.36Å; I74-V88 HydrophobicContact CG2-CG1 3.91Å; I74-V88 HydrophobicContact CG2-CG2 4.1Å; I74-L89 PolarHBondContact O-N 3.28Å
75V98.6Very high96Very high0 Ų075.1 Ų75.10%038%0.379CS..EExtended strand (participates in β ladder)trans-116125174.2-176.10000109A45 V46 D47 V77 L89 I91 I104 H107 F108A45-V75 PolarHBondContact O-N 3.07Å; V46-V75 CarbonylContact C-O 3.55Å; V46-V75 VanDerWaalsContact CA-O 3.27Å; V46-V75 WeakPolarHBondContact CA-O 3.47Å; D47-V75 PolarHBondContact N-O 3.05Å; V75-V77 HydrophobicContact CG1-CG2 4.06Å; V75-L89 CarbonylContact C-O 3.58Å; V75-L89 WeakPolarHBondContact CA-O 3.42Å; V75-L89 HydrophobicContact CG2-CB 4.41Å; V75-L89 HydrophobicContact CG2-CD2 4.34Å; V75-I91 HydrophobicContact CG1-CD1 3.51Å; V75-I91 HydrophobicContact CG1-CG1 4.02Å; V75-I104 HydrophobicContact CG1-CG1 4Å; V75-H107 HydrophobicContact CG2-CB 4.18Å; V75-H107 WeakPolarHBondContact CG2-CD2 3.4Å; V75-F108 HydrophobicContact CB-CZ 4.21Å; V75-F108 HydrophobicContact CG2-CE1 3.77Å; V75-F108 HydrophobicContact CG2-CE2 4.21Å; V75-F108 HydrophobicContact CG2-CZ 3.58Å
76A98.7Very high96.1Very high0 Ų074.9 Ų74.90%039%0.39CS..EExtended strand (participates in β ladder)trans-107.7130.6174.400000109.3D47 A50 S56 M82 V88 L89 Q90 I91D47-A76 HydrophobicContact CB-CB 4.41Å; D47-A76 CarbonylContact O-C 3.38Å; D47-A76 WeakPolarHBondContact O-CA 3.34Å; A50-A76 HydrophobicContact CB-CB 3.82Å; S56-A76 VanDerWaalsContact OG-CB 3.27Å; S56-A76 WeakPolarHBondContact OG-CB 3.3Å; A76-M82 HydrophobicContact CB-CE 4.29Å; A76-M82 HydrophobicContact CB-SD 4.11Å; A76-V88 HydrophobicContact CB-CG1 3.71Å; A76-L89 PolarHBondContact N-O 3.32Å; A76-Q90 HydrophobicContact CB-CG 4.3Å; A76-Q90 CarbonylContact O-C 3.47Å; A76-Q90 WeakPolarHBondContact O-CA 3.29Å; A76-I91 PolarHBondContact O-N 3.25Å
77V98.6Very high96.1Very high0 Ų072.7 Ų72.70%040%0.399CS..EExtended strand (participates in β ladder)trans-125.1129.1-176-173.70000109.7V46 D47 L48 C49 A50 V75 I91 I95 T100 I104V46-V77 HydrophobicContact CG1-CG2 4.47Å; D47-V77 PolarHBondContact O-N 2.89Å; L48-V77 HydrophobicContact CD2-CB 4.18Å; L48-V77 HydrophobicContact CD2-CG2 4.23Å; C49-V77 WeakPolarHBondContact CA-O 3.39Å; C49-V77 PolarHBondContact N-O 3.47Å; A50-V77 PolarHBondContact N-O 3.35Å; V75-V77 HydrophobicContact CG1-CG2 4.06Å; V77-I91 WeakPolarHBondContact CA-O 3.4Å; V77-I91 HydrophobicContact CG2-CB 4.4Å; V77-I95 HydrophobicContact CG1-CG2 3.91Å; V77-T100 HydrophobicContact CG1-CG2 3.5Å; V77-T100 HydrophobicContact CG2-CG2 4.45Å; V77-I104 HydrophobicContact CG2-CD1 3.9Å; V77-I104 HydrophobicContact CG2-CG1 4.09Å
78D98.4Very high96.3Very high20 Ų2071.5 Ų71.511%0.10739%0.393CS..EExtended strand (participates in β ladder)trans-153.7157.7171.6-154.6-70.7000111C49 A50 A51 Q80 M82 I91 Q92 G93C49-D78 VanDerWaalsContact CA-OD2 3.25Å; C49-D78 WeakPolarHBondContact CA-OD2 3.27Å; A50-D78 PolarHBondContact N-OD2 2.84Å; A51-D78 HydrophobicContact CB-CB 3.97Å; A51-D78 VanDerWaalsContact CB-CG 3.42Å; A51-D78 VanDerWaalsContact CB-OD2 3.29Å; A51-D78 WeakPolarHBondContact CB-OD2 3.42Å; A51-D78 PolarHBondContact N-OD2 3.17Å; D78-Q80 VanDerWaalsContact C-N 3.29Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.38Å; D78-Q80 PolarHBondContact OD1-N 3.27Å; D78-M82 HydrophobicContact CB-CE 3.81Å; D78-I91 PolarHBondContact N-O 3.5Å; D78-Q92 CarbonylContact O-C 3.51Å; D78-Q92 VanDerWaalsContact O-CA 3.23Å; D78-Q92 WeakPolarHBondContact O-CA 3.49Å; D78-G93 CarbonylContact C-O 3.53Å; D78-G93 PolarHBondContact O-N 3.06Å
79L97Very high96.8Very high109 Ų10971.8 Ų71.857%0.57138%0.38SS*.SBendtrans-70.5-31.2168.1-70.4173.7000111.3Q92 D94L79-Q92 WeakPolarHBondContact O-CG 3.38Å; L79-Q92 PolarHBondContact O-NE2 3.17Å; L79-D94 HydrophobicContact CD2-CB 3.76Å
80Q96.5Very high97.2Very high137 Ų13764.8 Ų64.864%0.6435%0.348SS*.SBendtrans-86.5143179.9-60.8-169.3-2800111.9A51 D78A51-Q80 HydrophobicContact CB-CB 4.04Å; D78-Q80 VanDerWaalsContact C-N 3.29Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.38Å; D78-Q80 PolarHBondContact OD1-N 3.27Å
81E96.2Very high97.4Very high169 Ų16960 Ų6079%0.7933%0.326SS*.  trans-63.8140.2169.5-171.3-178.4-17900110.4
82M95.7Very high97.6Very high18 Ų1857.5 Ų57.59%0.08932%0.317CS..  trans-127.7149.2174.669.6178.673.500110.5A50 A51 A76 D78 Q90A50-M82 HydrophobicContact CB-CE 3.58Å; A50-M82 HydrophobicContact CB-SD 4.48Å; A51-M82 HydrophobicContact CB-CE 4.28Å; A76-M82 HydrophobicContact CB-CE 4.29Å; A76-M82 HydrophobicContact CB-SD 4.11Å; D78-M82 HydrophobicContact CB-CE 3.81Å; M82-Q90 HydrophobicContact CG-CB 4.45Å; M82-Q90 HydrophobicContact CG-CG 4.06Å; M82-Q90 VanDerWaalsContact CG-OE1 3.23Å; M82-Q90 PolarHBondContact O-OE1 3.25Å; M82-Q90 HydrophobicContact SD-CB 4.48Å; M82-Q90 HydrophobicContact SD-CG 3.81Å
83V97Very high97.6Very high103 Ų10357.6 Ų57.662%0.62432%0.32SS*.  trans-61.1137.3174.7176.60000109.1R22 I85 Q90R22-V83 PolarHBondContact NH1-O 2.97Å; R22-V83 PolarHBondContact NH2-O 3.43Å; V83-I85 PolarHBondContact O-N 2.72Å; V83-Q90 PolarHBondContact O-NE2 3.15Å
84P97.9Very high97.5Very high100 Ų10057.4 Ų57.465%0.64932%0.321SS*.  trans-53.1140178.5-31.237.1000113.7R22R22-P84 PolarHBondContact NH2-O 2.9Å
85I98Very high97.4Very high13 Ų1358 Ų587%0.06732%0.324CS..  trans-116117.5172.6-62.5169.5000106.7R22 G53 Q57 I60 V83 G87 V88R22-I85 VanDerWaalsContact CZ-CG1 3.44Å; G53-I85 VanDerWaalsContact O-CD1 3.25Å; G53-I85 WeakPolarHBondContact O-CD1 3.31Å; Q57-I85 HydrophobicContact CG-CD1 3.87Å; Q57-I85 HydrophobicContact CG-CG1 4.44Å; I60-I85 HydrophobicContact CG2-CG2 4.12Å; V83-I85 PolarHBondContact O-N 2.72Å; I85-G87 PolarHBondContact O-N 3.39Å; I85-V88 HydrophobicContact CB-CB 4.13Å; I85-V88 HydrophobicContact CB-CG2 4.15Å; I85-V88 HydrophobicContact CG2-CB 4.29Å; I85-V88 HydrophobicContact CG2-CG2 3.76Å; I85-V88 PolarHBondContact O-N 3.02Å; I85-V88 VanDerWaalsContact O-N 3.07Å
86P97Very high97.2Very high115 Ų11561.3 Ų61.375%0.74734%0.344SS*.THydrogen-bonded Turntrans-55.6130.5178.8-26.134.6000112.1
87G96.6Very high96.9Very high54 Ų5463.2 Ų63.256%0.55736%0.357SS*.THydrogen-bonded Turntrans85.11.9-178.200000115.2I85I85-G87 PolarHBondContact O-N 3.39Å
88V98.2Very high96.6Very high15 Ų1568.1 Ų68.19%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-119.1124175.7-179.80000108.9I60 I74 A76 I85 Q90I60-V88 HydrophobicContact CB-CG2 3.94Å; I60-V88 HydrophobicContact CG1-CG2 4.47Å; I60-V88 HydrophobicContact CG2-CG2 4.3Å; I74-V88 HydrophobicContact CB-CG1 4.33Å; I74-V88 HydrophobicContact CB-CG2 4.17Å; I74-V88 HydrophobicContact CD1-CG2 4.36Å; I74-V88 HydrophobicContact CG2-CG1 3.91Å; I74-V88 HydrophobicContact CG2-CG2 4.1Å; A76-V88 HydrophobicContact CB-CG1 3.71Å; I85-V88 HydrophobicContact CB-CB 4.13Å; I85-V88 HydrophobicContact CB-CG2 4.15Å; I85-V88 HydrophobicContact CG2-CB 4.29Å; I85-V88 HydrophobicContact CG2-CG2 3.76Å; I85-V88 PolarHBondContact O-N 3.02Å; I85-V88 VanDerWaalsContact O-N 3.07Å; V88-Q90 HydrophobicContact CG1-CG 4.46Å
89L97.9Very high96.5Very high66 Ų6671.2 Ų71.235%0.34640%0.398SS..EExtended strand (participates in β ladder)trans-73.5132.7167.4177.367000108.5I74 V75 A76 I91 H107I74-L89 PolarHBondContact O-N 3.28Å; V75-L89 CarbonylContact C-O 3.58Å; V75-L89 WeakPolarHBondContact CA-O 3.42Å; V75-L89 HydrophobicContact CG2-CB 4.41Å; V75-L89 HydrophobicContact CG2-CD2 4.34Å; A76-L89 PolarHBondContact N-O 3.32Å; L89-I91 HydrophobicContact CD2-CD1 4.21Å; L89-I91 HydrophobicContact CD2-CG1 4.17Å; L89-I91 HydrophobicContact CG-CG1 4.3Å; L89-H107 HydrophobicContact CD2-CB 3.72Å; L89-H107 VanDerWaalsContact CD2-ND1 3.29Å; L89-H107 WeakPolarHBondContact CD2-ND1 3.42Å
90Q98.2Very high96.5Very high50 Ų5066.1 Ų66.123%0.23437%0.372CS..EExtended strand (participates in β ladder)trans-113.3125.9177.2-64.3174.8-200109.1A76 M82 V83 V88A76-Q90 HydrophobicContact CB-CG 4.3Å; A76-Q90 CarbonylContact O-C 3.47Å; A76-Q90 WeakPolarHBondContact O-CA 3.29Å; M82-Q90 HydrophobicContact CG-CB 4.45Å; M82-Q90 HydrophobicContact CG-CG 4.06Å; M82-Q90 VanDerWaalsContact CG-OE1 3.23Å; M82-Q90 PolarHBondContact O-OE1 3.25Å; M82-Q90 HydrophobicContact SD-CB 4.48Å; M82-Q90 HydrophobicContact SD-CG 3.81Å; V83-Q90 PolarHBondContact O-NE2 3.15Å; V88-Q90 HydrophobicContact CG1-CG 4.46Å
91I98.1Very high96.5Very high23 Ų2359.7 Ų59.712%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-114.8121176-59.5175.1000106.8V75 A76 V77 D78 L89 G93 D103 I104V75-I91 HydrophobicContact CG1-CD1 3.51Å; V75-I91 HydrophobicContact CG1-CG1 4.02Å; A76-I91 PolarHBondContact O-N 3.25Å; V77-I91 WeakPolarHBondContact CA-O 3.4Å; V77-I91 HydrophobicContact CG2-CB 4.4Å; D78-I91 PolarHBondContact N-O 3.5Å; L89-I91 HydrophobicContact CD2-CD1 4.21Å; L89-I91 HydrophobicContact CD2-CG1 4.17Å; L89-I91 HydrophobicContact CG-CG1 4.3Å; I91-G93 PolarHBondContact O-N 3.21Å; I91-D103 HydrophobicContact CD1-CB 3.84Å; I91-I104 HydrophobicContact CD1-CG1 4.13Å
92Q98.1Very high96.5Very high137 Ų13755.5 Ų55.564%0.6433%0.325SS*.EExtended strand (participates in β ladder)trans-83106.2166.7-169.9-179.2-4.200107.9D78 L79D78-Q92 CarbonylContact O-C 3.51Å; D78-Q92 VanDerWaalsContact O-CA 3.23Å; D78-Q92 WeakPolarHBondContact O-CA 3.49Å; L79-Q92 WeakPolarHBondContact O-CG 3.38Å; L79-Q92 PolarHBondContact O-NE2 3.17Å
93G97.1Very high96.5Very high12 Ų1258.7 Ų58.712%0.12434%0.343CS..  trans-161154.7-169.600000113.3D78 I91D78-G93 CarbonylContact C-O 3.53Å; D78-G93 PolarHBondContact O-N 3.06Å; I91-G93 PolarHBondContact O-N 3.21Å
94D96.1Very high96.6Very high64 Ų6453.8 Ų53.834%0.34231%0.313SS..  trans-85122.9173.3-169.3-28.8000109.4L79 T96 S97 T100L79-D94 HydrophobicContact CD2-CB 3.76Å; D94-T96 PolarHBondContact O-N 3.24Å; D94-T96 VanDerWaalsContact O-N 3.15Å; D94-T96 WeakPolarHBondContact OD1-CB 3.48Å; D94-T96 PolarHBondContact OD1-N 3.09Å; D94-T96 PolarHBondContact OD1-OG1 3.43Å; D94-T96 PolarHBondContact OD2-OG1 3.12Å; D94-S97 WeakPolarHBondContact O-CB 3.09Å; D94-S97 PolarHBondContact O-N 3Å; D94-T100 PolarHBondContact N-OG1 2.75Å; D94-T100 WeakPolarHBondContact O-CB 3.38Å; D94-T100 PolarHBondContact O-OG1 3.05Å
95I95.6Very high96.5Very high12 Ų1251.3 Ų51.36%0.06229%0.294CS..THydrogen-bonded Turntrans-66.5-12.4179.565.1168.2000113.2L48 V77 L138 A142 I145L48-I95 HydrophobicContact CB-CG2 4.38Å; L48-I95 HydrophobicContact CD2-CG2 3.98Å; V77-I95 HydrophobicContact CG1-CG2 3.91Å; I95-L138 HydrophobicContact CD1-CD1 4.05Å; I95-A142 HydrophobicContact CD1-CB 4.23Å; I95-I145 HydrophobicContact CB-CD1 4.49Å; I95-I145 HydrophobicContact CB-CG2 4.41Å; I95-I145 WeakPolarHBondContact O-CB 3.25Å
96T93.3Very high96.4Very high71 Ų7154.9 Ų54.944%0.43632%0.32SS..THydrogen-bonded Turntrans-87.1-11.4173.267.70000112.8D94D94-T96 PolarHBondContact O-N 3.24Å; D94-T96 VanDerWaalsContact O-N 3.15Å; D94-T96 WeakPolarHBondContact OD1-CB 3.48Å; D94-T96 PolarHBondContact OD1-N 3.09Å; D94-T96 PolarHBondContact OD1-OG1 3.43Å; D94-T96 PolarHBondContact OD2-OG1 3.12Å
97S93.4Very high96.3Very high39 Ų3952.7 Ų52.727%0.27330%0.299SS..SBendtrans-87.1138.9-179.3-178.60000112.6D94 T99 T100 A101D94-S97 WeakPolarHBondContact O-CB 3.09Å; D94-S97 PolarHBondContact O-N 3Å; S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact O-N 3.49Å; S97-T99 PolarHBondContact OG-N 2.64Å; S97-T99 PolarHBondContact OG-OG1 2.8Å; S97-T100 WeakPolarHBondContact O-CB 3.46Å; S97-T100 PolarHBondContact O-N 2.6Å; S97-A101 PolarHBondContact O-N 3.41Å
98K93Very high96.2Very high104 Ų10450.2 Ų50.245%0.45227%0.273SS..Hα-helixtrans-57.5-39170.2-175.2171.6-179.9177.40113.4T100 A101 D102 I212K98-T100 PolarHBondContact O-N 2.84Å; K98-A101 WeakPolarHBondContact O-CB 3.23Å; K98-A101 PolarHBondContact O-N 2.78Å; K98-A101 VanDerWaalsContact O-N 3.08Å; K98-D102 PolarHBondContact O-N 2.94Å; K98-I212 HydrophobicContact CB-CD1 4.5Å; K98-I212 HydrophobicContact CB-CG2 3.7Å; K98-I212 HydrophobicContact CD-CG2 3.93Å; K98-I212 HydrophobicContact CG-CG2 3.82Å
99T96Very high96Very high84 Ų8454.5 Ų54.552%0.51530%0.304SS..Hα-helixtrans-58.9-40.1-179.358.30000111.5S97 A101 D102 D103S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact O-N 3.49Å; S97-T99 PolarHBondContact OG-N 2.64Å; S97-T99 PolarHBondContact OG-OG1 2.8Å; T99-A101 VanDerWaalsContact C-N 3.35Å; T99-A101 PolarHBondContact O-N 2.83Å; T99-D102 PolarHBondContact O-N 2.71Å; T99-D103 WeakPolarHBondContact O-CB 3.37Å; T99-D103 VanDerWaalsContact O-CG 3.24Å; T99-D103 PolarHBondContact O-N 2.92Å
100T96.8Very high95.7Very high3 Ų354 Ų542%0.01832%0.315CS..Hα-helixtrans-64.1-41177.9-53.80000111.2V77 D94 S97 K98 I104 I145V77-T100 HydrophobicContact CG1-CG2 3.5Å; V77-T100 HydrophobicContact CG2-CG2 4.45Å; D94-T100 PolarHBondContact N-OG1 2.75Å; D94-T100 WeakPolarHBondContact O-CB 3.38Å; D94-T100 PolarHBondContact O-OG1 3.05Å; S97-T100 WeakPolarHBondContact O-CB 3.46Å; S97-T100 PolarHBondContact O-N 2.6Å; K98-T100 PolarHBondContact O-N 2.84Å; T100-I104 HydrophobicContact CG2-CD1 4.29Å; T100-I104 WeakPolarHBondContact O-CD1 3.21Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.41Å; T100-I104 VanDerWaalsContact O-N 3.15Å; T100-I145 HydrophobicContact CG2-CD1 4.06Å
101A95.7Very high95.5Very high2 Ų254.7 Ų54.72%0.01733%0.325CS..Hα-helixtrans-63.3-45.3174.800000111.5S97 K98 T99 D103 I104 I105 I145 I212S97-A101 PolarHBondContact O-N 3.41Å; K98-A101 WeakPolarHBondContact O-CB 3.23Å; K98-A101 PolarHBondContact O-N 2.78Å; K98-A101 VanDerWaalsContact O-N 3.08Å; T99-A101 VanDerWaalsContact C-N 3.35Å; T99-A101 PolarHBondContact O-N 2.83Å; A101-D103 PolarHBondContact O-N 3.5Å; A101-I104 PolarHBondContact O-N 3.5Å; A101-I105 VanDerWaalsContact O-CG1 3.26Å; A101-I105 WeakPolarHBondContact O-CG1 3.18Å; A101-I105 PolarHBondContact O-N 2.96Å; A101-I145 HydrophobicContact CB-CD1 4.19Å; A101-I145 HydrophobicContact CB-CG1 3.99Å; A101-I212 HydrophobicContact CB-CD1 3.78Å
102D95.9Very high95.5Very high81 Ų8157.1 Ų57.143%0.43333%0.334SS..Hα-helixtrans-62.2-41.5179-68.2-24.9000111.8K98 T99 I104 I105 S106K98-D102 PolarHBondContact O-N 2.94Å; T99-D102 PolarHBondContact O-N 2.71Å; D102-I104 PolarHBondContact O-N 3.42Å; D102-I105 PolarHBondContact O-N 3.24Å; D102-S106 WeakPolarHBondContact O-CB 3.44Å; D102-S106 PolarHBondContact O-N 2.87Å
103D97.3Very high95.5Very high84 Ų8450.6 Ų50.645%0.44930%0.304SS..Hα-helixtrans-64.4-40.4177.7-70.7-26.3000112.1I91 T99 A101 H107I91-D103 HydrophobicContact CD1-CB 3.84Å; T99-D103 WeakPolarHBondContact O-CB 3.37Å; T99-D103 VanDerWaalsContact O-CG 3.24Å; T99-D103 PolarHBondContact O-N 2.92Å; A101-D103 PolarHBondContact O-N 3.5Å; D103-H107 PolarHBondContact O-N 3.49Å
104I97.5Very high95.6Very high0 Ų051.7 Ų51.70%031%0.306CS..Hα-helixtrans-62.7-49.1174.9-64.7161.4000110.3V46 V75 V77 I91 T100 A101 D102 S106 H107 F108 I145 I149V46-I104 HydrophobicContact CG1-CD1 4.34Å; V46-I104 HydrophobicContact CG2-CG2 3.85Å; V75-I104 HydrophobicContact CG1-CG1 4Å; V77-I104 HydrophobicContact CG2-CD1 3.9Å; V77-I104 HydrophobicContact CG2-CG1 4.09Å; I91-I104 HydrophobicContact CD1-CG1 4.13Å; T100-I104 HydrophobicContact CG2-CD1 4.29Å; T100-I104 WeakPolarHBondContact O-CD1 3.21Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.41Å; T100-I104 VanDerWaalsContact O-N 3.15Å; A101-I104 PolarHBondContact O-N 3.5Å; D102-I104 PolarHBondContact O-N 3.42Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.47Å; I104-H107 PolarHBondContact O-N 2.96Å; I104-F108 HydrophobicContact CG2-CD2 3.9Å; I104-F108 HydrophobicContact CG2-CE2 3.57Å; I104-F108 WeakPolarHBondContact O-CD2 3.37Å; I104-F108 PolarHBondContact O-N 3.18Å; I104-I145 HydrophobicContact CD1-CD1 3.89Å; I104-I149 HydrophobicContact CB-CG2 4.21Å; I104-I149 HydrophobicContact CD1-CD1 4.01Å; I104-I149 HydrophobicContact CD1-CG2 4.32Å; I104-I149 HydrophobicContact CG2-CB 4.2Å; I104-I149 HydrophobicContact CG2-CD1 4.42Å; I104-I149 HydrophobicContact CG2-CG2 3.94Å
105I96Very high95.7Very high48 Ų4848.6 Ų48.625%0.24629%0.289CS..Hα-helixtrans-63.6-42.3-178.4-67167.8000110.6A101 D102 H107 F108 S109 G110 F148 I149A101-I105 VanDerWaalsContact O-CG1 3.26Å; A101-I105 WeakPolarHBondContact O-CG1 3.18Å; A101-I105 PolarHBondContact O-N 2.96Å; D102-I105 PolarHBondContact O-N 3.24Å; I105-H107 VanDerWaalsContact C-N 3.33Å; I105-H107 PolarHBondContact O-N 3.07Å; I105-F108 CarbonylContact O-C 3.47Å; I105-F108 PolarHBondContact O-N 2.81Å; I105-S109 PolarHBondContact O-N 2.83Å; I105-G110 PolarHBondContact O-N 3.26Å; I105-F148 HydrophobicContact CD1-CB 4.44Å; I105-I149 HydrophobicContact CD1-CG2 4.41Å; I105-I149 HydrophobicContact CG1-CG2 4.05Å
106S96Very high95.9Very high89 Ų8948 Ų4862%0.62229%0.286SS*.Hα-helixtrans-57.8-45.2176-178.30000111.3D102 I104 F108 S109D102-S106 WeakPolarHBondContact O-CB 3.44Å; D102-S106 PolarHBondContact O-N 2.87Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.47Å; S106-F108 VanDerWaalsContact C-N 3.33Å; S106-F108 PolarHBondContact O-N 3.3Å; S106-S109 PolarHBondContact O-N 2.83Å
107H94.5Very high96.1Very high68 Ų6844.7 Ų44.732%0.31527%0.266SS..Hα-helixtrans-61.8-39.5177.4-176.667.8000113.1V75 L89 D103 I104 I105 S109V75-H107 HydrophobicContact CG2-CB 4.18Å; V75-H107 WeakPolarHBondContact CG2-CD2 3.4Å; L89-H107 HydrophobicContact CD2-CB 3.72Å; L89-H107 VanDerWaalsContact CD2-ND1 3.29Å; L89-H107 WeakPolarHBondContact CD2-ND1 3.42Å; D103-H107 PolarHBondContact O-N 3.49Å; I104-H107 PolarHBondContact O-N 2.96Å; I105-H107 VanDerWaalsContact C-N 3.33Å; I105-H107 PolarHBondContact O-N 3.07Å; H107-S109 PolarHBondContact O-N 2.9Å
108F95.8Very high96.4Very high2 Ų242.8 Ų42.81%0.00925%0.253CS..THydrogen-bonded Turntrans-78.613.1175-64-39.2000113.7R44 V46 Q73 V75 I104 I105 S106 G110 C111 A113R44-F108 HydrophobicContact CB-CD1 4.15Å; R44-F108 HydrophobicContact CB-CE1 3.94Å; R44-F108 HydrophobicContact CB-CZ 4.18Å; R44-F108 HydrophobicContact CG-CD1 3.84Å; R44-F108 HydrophobicContact CG-CE1 4.05Å; R44-F108 HydrophobicContact CG-CG 4.38Å; V46-F108 HydrophobicContact CG2-CE2 3.49Å; V46-F108 VanDerWaalsContact CG2-CE2 3.49Å; V46-F108 HydrophobicContact CG2-CZ 3.73Å; Q73-F108 HydrophobicContact CB-CD1 3.93Å; Q73-F108 HydrophobicContact CB-CE1 3.74Å; V75-F108 HydrophobicContact CB-CZ 4.21Å; V75-F108 HydrophobicContact CG2-CE1 3.77Å; V75-F108 HydrophobicContact CG2-CE2 4.21Å; V75-F108 HydrophobicContact CG2-CZ 3.58Å; I104-F108 HydrophobicContact CG2-CD2 3.9Å; I104-F108 HydrophobicContact CG2-CE2 3.57Å; I104-F108 WeakPolarHBondContact O-CD2 3.37Å; I104-F108 PolarHBondContact O-N 3.18Å; I105-F108 CarbonylContact O-C 3.47Å; I105-F108 PolarHBondContact O-N 2.81Å; S106-F108 VanDerWaalsContact C-N 3.33Å; S106-F108 PolarHBondContact O-N 3.3Å; F108-G110 PolarHBondContact O-N 3.37Å; F108-C111 HydrophobicContact CB-CB 4.34Å; F108-C111 WeakPolarHBondContact CB-O 3.27Å; F108-C111 VanDerWaalsContact O-CB 3.27Å; F108-C111 WeakPolarHBondContact O-CB 3.48Å; F108-C111 PolarHBondContact O-N 3.24Å; F108-A113 HydrophobicContact CE2-CB 3.93Å; F108-A113 HydrophobicContact CZ-CB 4.41Å
109S93.7Very high96.6Very high105 Ų10539 Ų3973%0.73424%0.237SC*.THydrogen-bonded Turntrans54.937.8179.5-52.90000112.3I105 S106 H107 C111I105-S109 PolarHBondContact O-N 2.83Å; S106-S109 PolarHBondContact O-N 2.83Å; H107-S109 PolarHBondContact O-N 2.9Å; S109-C111 VanDerWaalsContact C-N 3.29Å; S109-C111 PolarHBondContact O-N 3.29Å
110G91.1Very high96.5Very high56 Ų5635.3 Ų35.358%0.57722%0.216SC*.THydrogen-bonded Turntrans82.6-5.7-176.900000115.1I105 F108I105-G110 PolarHBondContact O-N 3.26Å; F108-G110 PolarHBondContact O-N 3.37Å
111C95.5Very high96.3Very high64 Ų6437.6 Ų37.643%0.43224%0.235SC..PPolyproline II helixtrans-78151.6174-59.60000111.4F108 S109F108-C111 HydrophobicContact CB-CB 4.34Å; F108-C111 WeakPolarHBondContact CB-O 3.27Å; F108-C111 VanDerWaalsContact O-CB 3.27Å; F108-C111 WeakPolarHBondContact O-CB 3.48Å; F108-C111 PolarHBondContact O-N 3.24Å; S109-C111 VanDerWaalsContact C-N 3.29Å; S109-C111 PolarHBondContact O-N 3.29Å
112K97.2Very high96.1Very high75 Ų7539 Ų3933%0.32624%0.244SC..PPolyproline II helixtrans-91.9153.5173.4-62.3-164.8-175.9-174.50112R44 F148 I149 L150 A151R44-K112 PolarHBondContact NE-O 2.9Å; R44-K112 PolarHBondContact NH2-O 3.23Å; K112-F148 WeakPolarHBondContact CD-O 3.43Å; K112-F148 VanDerWaalsContact CE-O 3.27Å; K112-F148 WeakPolarHBondContact CE-O 3.34Å; K112-I149 CarbonylContact C-O 3.57Å; K112-I149 WeakPolarHBondContact CA-O 3.4Å; K112-I149 WeakPolarHBondContact CB-O 3.27Å; K112-L150 WeakPolarHBondContact CD-O 3.39Å; K112-A151 HydrophobicContact CB-CB 3.83Å
113A98.4Very high95.8Very high0 Ų042.5 Ų42.50%026%0.263CS..EExtended strand (participates in β ladder)trans-74.5145.9177.500000112.7R44 V46 F108 I149 A151R44-A113 HydrophobicContact CB-CB 4.28Å; V46-A113 HydrophobicContact CG2-CB 3.86Å; F108-A113 HydrophobicContact CE2-CB 3.93Å; F108-A113 HydrophobicContact CZ-CB 4.41Å; A113-I149 PolarHBondContact N-O 2.87Å; A113-A151 WeakPolarHBondContact O-CB 3.26Å; A113-A151 PolarHBondContact O-N 3.15Å
114E98.6Very high95.4Very high34 Ų3443.2 Ų43.216%0.15927%0.27CS..EExtended strand (participates in β ladder)trans-83.7-21.5172.5-66.896.3179.900112.6V42 R43 R44 G154 T155V42-E114 HydrophobicContact CB-CB 4.49Å; V42-E114 HydrophobicContact CG1-CB 4.4Å; V42-E114 HydrophobicContact CG2-CB 4.16Å; R43-E114 PolarHBondContact N-OE2 2.79Å; R43-E114 IonicContact NE-OE1 3.19Å; R43-E114 IonicContact NH2-OE1 2.69Å; R43-E114 PolarHBondContact NH2-OE1 2.8Å; R44-E114 IonicContact CZ-OE1 3.51Å; R44-E114 IonicContact CZ-OE2 3.23Å; R44-E114 PolarHBondContact N-OE2 2.8Å; R44-E114 IonicContact NH1-OE1 3.29Å; R44-E114 PolarHBondContact NH1-OE1 3.04Å; R44-E114 IonicContact NH1-OE2 3.42Å; R44-E114 PolarHBondContact NH1-OE2 3.23Å; R44-E114 VanDerWaalsContact NH2-CD 3.28Å; R44-E114 IonicContact NH2-OE1 3.74Å; R44-E114 PolarHBondContact NH2-OE1 2.77Å; R44-E114 IonicContact NH2-OE2 3.3Å; R44-E114 PolarHBondContact O-N 2.79Å; E114-G154 VanDerWaalsContact O-CA 3.29Å; E114-G154 WeakPolarHBondContact O-CA 3.36Å; E114-T155 PolarHBondContact O-N 2.59Å
115L98.8Very high95Very high0 Ų047.1 Ų47.10%029%0.294CS..EExtended strand (participates in β ladder)trans-137.1128.9-178.1178.764000111F39 V42 R44 A45 V46 L59 V117 T155 V157F39-L115 HydrophobicContact CD1-CD2 3.79Å; F39-L115 HydrophobicContact CE1-CD2 3.85Å; V42-L115 HydrophobicContact CG1-CB 3.79Å; V42-L115 HydrophobicContact CG1-CD2 4.42Å; V42-L115 HydrophobicContact CG2-CB 3.95Å; R44-L115 PolarHBondContact O-N 3.3Å; A45-L115 CarbonylContact C-O 3.52Å; A45-L115 VanDerWaalsContact CA-O 3.24Å; A45-L115 WeakPolarHBondContact CA-O 3.43Å; A45-L115 HydrophobicContact CB-CB 4.29Å; V46-L115 PolarHBondContact N-O 3.47Å; L59-L115 HydrophobicContact CD2-CD2 3.88Å; L115-V117 HydrophobicContact CD1-CG1 3.85Å; L115-V117 HydrophobicContact CD2-CG1 4.02Å; L115-V117 HydrophobicContact CG-CG1 3.79Å; L115-T155 WeakPolarHBondContact CA-O 3.43Å; L115-T155 HydrophobicContact CD1-CG2 3.95Å; L115-V157 HydrophobicContact CD1-CG2 4.45Å
116V98.9Very high94.5Very high0 Ų047.1 Ų47.10%031%0.306CS..EExtended strand (participates in β ladder)trans-119.4129.8167.4176.60000108.5V46 L48 S146 I149 L150 T155 F156 V157V46-V116 HydrophobicContact CB-CG2 4.17Å; V46-V116 CarbonylContact O-C 3.6Å; V46-V116 WeakPolarHBondContact O-CA 3.46Å; L48-V116 HydrophobicContact CD1-CG1 3.55Å; L48-V116 HydrophobicContact CG-CG1 3.92Å; V116-S146 WeakPolarHBondContact CG1-OG 3.33Å; V116-I149 HydrophobicContact CG2-CD1 4.04Å; V116-I149 HydrophobicContact CG2-CG1 4.07Å; V116-L150 HydrophobicContact CB-CD1 4.26Å; V116-L150 HydrophobicContact CG2-CB 4.32Å; V116-L150 HydrophobicContact CG2-CD1 3.7Å; V116-T155 PolarHBondContact N-O 3.29Å; V116-F156 HydrophobicContact CB-CD2 4.03Å; V116-F156 HydrophobicContact CG1-CD2 3.84Å; V116-F156 HydrophobicContact CG1-CE2 4.11Å; V116-F156 CarbonylContact O-C 3.52Å; V116-F156 VanDerWaalsContact O-CA 3.3Å; V116-F156 WeakPolarHBondContact O-CA 3.46Å; V116-V157 PolarHBondContact O-N 3.31Å
117V98.9Very high94.2Very high0 Ų047.2 Ų47.20%030%0.302CS..EExtended strand (participates in β ladder)trans-124.8147.2179.1-57.40000110.7L29 V46 D47 L48 W55 L59 L115 V157L29-V117 HydrophobicContact CD1-CG1 4.23Å; V46-V117 PolarHBondContact O-N 3.41Å; D47-V117 HydrophobicContact CB-CG2 4.06Å; L48-V117 PolarHBondContact N-O 2.88Å; W55-V117 HydrophobicContact CE3-CB 3.61Å; W55-V117 HydrophobicContact CE3-CG2 3.68Å; W55-V117 HydrophobicContact CZ3-CB 3.69Å; W55-V117 HydrophobicContact CZ3-CG2 4.29Å; L59-V117 HydrophobicContact CD1-CG2 3.93Å; L115-V117 HydrophobicContact CD1-CG1 3.85Å; L115-V117 HydrophobicContact CD2-CG1 4.02Å; L115-V117 HydrophobicContact CG-CG1 3.79Å; V117-V157 CarbonylContact C-O 3.55Å; V117-V157 VanDerWaalsContact CA-O 3.28Å; V117-V157 WeakPolarHBondContact CA-O 3.36Å; V117-V157 HydrophobicContact CG1-CB 4.21Å
118C98.4Very high93.9Very high0 Ų048.6 Ų48.60%031%0.309CS..EExtended strand (participates in β ladder)trans-148.3107-179.9179.80000112.3L48 A142 V157 S158 K159L48-C118 HydrophobicContact CB-CB 4.06Å; L48-C118 WeakPolarHBondContact O-CA 3.48Å; C118-A142 HydrophobicContact CB-CB 4.4Å; C118-V157 PolarHBondContact N-O 3.49Å; C118-S158 CarbonylContact O-C 3.6Å; C118-S158 VanDerWaalsContact O-CA 3.27Å; C118-S158 WeakPolarHBondContact O-CA 3.49Å; C118-K159 PolarHBondContact O-N 3.3Å
119D97.3Very high93.6Very high23 Ų2352.8 Ų52.812%0.12333%0.331CS..  trans-97.519.2171.9-16334000111.9S25 K28 W55 K159 F196S25-D119 WeakPolarHBondContact CB-OD2 3.23Å; K28-D119 IonicContact NZ-OD1 3.39Å; K28-D119 IonicContact NZ-OD2 3.88Å; W55-D119 HydrophobicContact CD2-CB 3.75Å; W55-D119 HydrophobicContact CE3-CB 3.91Å; W55-D119 HydrophobicContact CG-CB 4.42Å; W55-D119 HydrophobicContact CH2-CB 3.93Å; W55-D119 HydrophobicContact CZ2-CB 3.72Å; W55-D119 HydrophobicContact CZ3-CB 4Å; D119-K159 PolarHBondContact O-NZ 2.95Å; D119-K159 WeakPolarHBondContact OD1-CE 3.48Å; D119-K159 IonicContact OD1-NZ 3.73Å; D119-K159 PolarHBondContact OD1-NZ 3.44Å; D119-K159 IonicContact OD2-NZ 2.58Å; D119-F196 WeakPolarHBondContact OD1-CE1 3.23Å; D119-F196 VanDerWaalsContact OD1-CZ 3.28Å; D119-F196 WeakPolarHBondContact OD1-CZ 3.47Å
120G94.5Very high93.4Very high7 Ų753 Ų537%0.07232%0.319CS..  trans-61.7144177.900000113.1C49 Q135 L138C49-G120 VanDerWaalsContact CB-CA 3.4Å; G120-Q135 PolarHBondContact O-NE2 3.43Å; G120-L138 VanDerWaalsContact C-CD2 3.48Å
121A93.2Very high93.5Very high51 Ų5150.5 Ų50.542%0.42129%0.293SS..  trans-145.7144.1171.200000110.6Q135 K159 F161A121-Q135 VanDerWaalsContact CA-OE1 3.3Å; A121-K159 HydrophobicContact CB-CD 3.9Å; A121-F161 HydrophobicContact CB-CZ 4.48Å
122P90.6Very high93.4Very high31 Ų3148.1 Ų48.120%0.20128%0.275CS..PPolyproline II helixtrans-73.5167.7171.334.5-34.9000111.1V124 V134P122-V124 PolarHBondContact O-N 3.18Å; P122-V134 HydrophobicContact CB-CB 4.32Å; P122-V134 HydrophobicContact CB-CG1 3.48Å; P122-V134 VanDerWaalsContact CB-CG1 3.48Å; P122-V134 HydrophobicContact CG-CB 4.04Å; P122-V134 HydrophobicContact CG-CG1 3.68Å
123D90.3Very high93.1Very high156 Ų15651.9 Ų51.983%0.83429%0.288SS*.PPolyproline II helixtrans-61.7123.5168.7-71.8-39.9000110.3T125D123-T125 PolarHBondContact O-N 3.36Å
124V87.8Confident92.9Very high99 Ų9953.9 Ų53.960%0.630%0.3SS*.PPolyproline II helixtrans-78119.2-176.3179.20000109.7P122 D131 F161P122-V124 PolarHBondContact O-N 3.18Å; V124-D131 WeakPolarHBondContact CG1-OD2 3.4Å; V124-F161 HydrophobicContact CG2-CE2 4.34Å; V124-F161 HydrophobicContact CG2-CZ 4.29Å
125T88.8Confident92.7Very high82 Ų8252.2 Ų52.250%0.50329%0.293SS..  trans-82.6-22.5179.667.70000112.7D123 V127 F130 D131D123-T125 PolarHBondContact O-N 3.36Å; T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact OG1-N 2.9Å; T125-V127 VanDerWaalsContact OG1-N 3.16Å; T125-F130 HydrophobicContact CG2-CD1 3.83Å; T125-F130 HydrophobicContact CG2-CE1 3.91Å; T125-D131 WeakPolarHBondContact CB-OD1 3.45Å; T125-D131 PolarHBondContact N-OD1 3.02Å; T125-D131 PolarHBondContact OG1-OD1 3.22Å
126G86.4Confident92.5Very high48 Ų4853.4 Ų53.450%0.49530%0.302SS..SBendtrans89.7-7.6-172.800000113.3H128 D131G126-H128 PolarHBondContact O-N 3.48Å; G126-D131 PolarHBondContact N-OD2 3.35Å
127V89.9Confident92.2Very high90 Ų9056 Ų5655%0.54532%0.321SS..  trans-87.993.9169.9-177.10000107.8T125 D129 F130 D131T125-V127 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact OG1-N 2.9Å; T125-V127 VanDerWaalsContact OG1-N 3.16Å; V127-D129 VanDerWaalsContact C-N 3.3Å; V127-D129 PolarHBondContact O-N 3.26Å; V127-D129 VanDerWaalsContact O-N 3.16Å; V127-F130 HydrophobicContact CB-CB 4.09Å; V127-F130 HydrophobicContact CG1-CB 3.94Å; V127-F130 WeakPolarHBondContact O-CB 3.33Å; V127-F130 PolarHBondContact O-N 3.08Å; V127-D131 PolarHBondContact O-N 3.21Å
128H87.6Confident92Very high98 Ų9857.9 Ų57.945%0.45433%0.331SS..Hα-helixtrans-53.7-40.6-169.8-62.9-38.3000114.8G126 F130 D131 E132 Y193G126-H128 PolarHBondContact O-N 3.48Å; H128-F130 VanDerWaalsContact C-N 3.32Å; H128-F130 PolarHBondContact O-N 3.29Å; H128-D131 PolarHBondContact O-N 3.26Å; H128-E132 VanDerWaalsContact O-CB 3.32Å; H128-E132 WeakPolarHBondContact O-CB 3.43Å; H128-E132 PolarHBondContact O-N 3.48Å; H128-Y193 HydrophobicContact CB-CE1 4.49Å
129D89.1Confident91.9Very high90 Ų9057.9 Ų57.948%0.48133%0.331SS..Hα-helixtrans-66.2-35.6179.4-66.9-19000111.4V127 Y133 R164V127-D129 VanDerWaalsContact C-N 3.3Å; V127-D129 PolarHBondContact O-N 3.26Å; V127-D129 VanDerWaalsContact O-N 3.16Å; D129-Y133 PolarHBondContact O-N 3.43Å; D129-R164 IonicContact OD1-NH1 2.98Å; D129-R164 IonicContact OD2-NH1 3.82Å; D129-R164 PolarHBondContact OD2-NH1 3.38Å
130F91.1Very high91.8Very high108 Ų10858.1 Ų58.147%0.47433%0.332SS..Hα-helixtrans-74.8-44.8176-177.4-103000111.6T125 V127 H128 E132 Y133 V134T125-F130 HydrophobicContact CG2-CD1 3.83Å; T125-F130 HydrophobicContact CG2-CE1 3.91Å; V127-F130 HydrophobicContact CB-CB 4.09Å; V127-F130 HydrophobicContact CG1-CB 3.94Å; V127-F130 WeakPolarHBondContact O-CB 3.33Å; V127-F130 PolarHBondContact O-N 3.08Å; H128-F130 VanDerWaalsContact C-N 3.32Å; H128-F130 PolarHBondContact O-N 3.29Å; F130-E132 VanDerWaalsContact C-N 3.27Å; F130-E132 PolarHBondContact O-N 2.64Å; F130-Y133 WeakPolarHBondContact O-CB 3.37Å; F130-Y133 PolarHBondContact O-N 3.29Å; F130-Y133 VanDerWaalsContact O-N 3.11Å; F130-V134 HydrophobicContact CD1-CG2 4.13Å; F130-V134 HydrophobicContact CD2-CG2 4.49Å; F130-V134 HydrophobicContact CE1-CG2 3.7Å; F130-V134 HydrophobicContact CE2-CG2 4.09Å; F130-V134 HydrophobicContact CZ-CG2 3.68Å; F130-V134 WeakPolarHBondContact O-CG2 3.49Å; F130-V134 PolarHBondContact O-N 2.82Å
131D92.4Very high91.8Very high5 Ų559.2 Ų59.23%0.02734%0.338CS..Hα-helixtrans-60.4-38.2177.1-62.9-29.3000111.2V124 T125 G126 V127 H128 Q135 F161V124-D131 WeakPolarHBondContact CG1-OD2 3.4Å; T125-D131 WeakPolarHBondContact CB-OD1 3.45Å; T125-D131 PolarHBondContact N-OD1 3.02Å; T125-D131 PolarHBondContact OG1-OD1 3.22Å; G126-D131 PolarHBondContact N-OD2 3.35Å; V127-D131 PolarHBondContact O-N 3.21Å; H128-D131 PolarHBondContact O-N 3.26Å; D131-Q135 VanDerWaalsContact O-CB 3.32Å; D131-Q135 WeakPolarHBondContact O-CB 3.25Å; D131-Q135 PolarHBondContact O-N 3.45Å; D131-F161 HydrophobicContact CB-CD2 4.16Å; D131-F161 HydrophobicContact CB-CE2 4.2Å; D131-F161 WeakPolarHBondContact O-CD2 2.92Å
132E92.5Very high92Very high14 Ų1456.8 Ų56.87%0.06532%0.318CS..Hα-helixtrans-61.8-45.8173.1-179.6176.3-160.500111.5H128 F130 Q135 A136 G163 R164 N165 V166H128-E132 VanDerWaalsContact O-CB 3.32Å; H128-E132 WeakPolarHBondContact O-CB 3.43Å; H128-E132 PolarHBondContact O-N 3.48Å; F130-E132 VanDerWaalsContact C-N 3.27Å; F130-E132 PolarHBondContact O-N 2.64Å; E132-Q135 PolarHBondContact O-N 3.17Å; E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 2.86Å; E132-G163 WeakPolarHBondContact OE1-CA 3.35Å; E132-G163 PolarHBondContact OE1-N 3.32Å; E132-G163 WeakPolarHBondContact OE2-CA 3.25Å; E132-R164 PolarHBondContact OE1-N 2.79Å; E132-R164 PolarHBondContact OE2-N 3.38Å; E132-N165 PolarHBondContact OE1-N 2.67Å; E132-N165 VanDerWaalsContact OE1-N 3.08Å; E132-V166 PolarHBondContact OE1-N 3.42Å
133Y92Very high92.2Very high153 Ų15355.3 Ų55.360%0.631%0.308SS*.Hα-helixtrans-61.2-48.1178.2174.1-98000112.4D129 F130 A136 S137D129-Y133 PolarHBondContact O-N 3.43Å; F130-Y133 WeakPolarHBondContact O-CB 3.37Å; F130-Y133 PolarHBondContact O-N 3.29Å; F130-Y133 VanDerWaalsContact O-N 3.11Å; Y133-A136 PolarHBondContact O-N 3.47Å; Y133-S137 PolarHBondContact O-N 3.16Å
134V93.5Very high92.4Very high42 Ų4248.4 Ų48.426%0.25527%0.272SS..Hα-helixtrans-67.5-39.9-179.3-176.60000111P122 F130 S137 L138P122-V134 HydrophobicContact CB-CB 4.32Å; P122-V134 HydrophobicContact CB-CG1 3.48Å; P122-V134 VanDerWaalsContact CB-CG1 3.48Å; P122-V134 HydrophobicContact CG-CB 4.04Å; P122-V134 HydrophobicContact CG-CG1 3.68Å; F130-V134 HydrophobicContact CD1-CG2 4.13Å; F130-V134 HydrophobicContact CD2-CG2 4.49Å; F130-V134 HydrophobicContact CE1-CG2 3.7Å; F130-V134 HydrophobicContact CE2-CG2 4.09Å; F130-V134 HydrophobicContact CZ-CG2 3.68Å; F130-V134 WeakPolarHBondContact O-CG2 3.49Å; F130-V134 PolarHBondContact O-N 2.82Å; V134-S137 WeakPolarHBondContact O-CB 3.27Å; V134-S137 PolarHBondContact O-N 3.05Å; V134-L138 PolarHBondContact O-N 3.35Å
135Q95Very high92.8Very high0 Ų043.7 Ų43.70%024%0.243CC..Hα-helixtrans-62.3-43173.7-177.767.939.400111.3G120 A121 D131 E132 S137 L138 V139 K159 F161G120-Q135 PolarHBondContact O-NE2 3.43Å; A121-Q135 VanDerWaalsContact CA-OE1 3.3Å; D131-Q135 VanDerWaalsContact O-CB 3.32Å; D131-Q135 WeakPolarHBondContact O-CB 3.25Å; D131-Q135 PolarHBondContact O-N 3.45Å; E132-Q135 PolarHBondContact O-N 3.17Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-S137 PolarHBondContact O-N 3.35Å; Q135-L138 PolarHBondContact O-N 2.94Å; Q135-V139 VanDerWaalsContact O-CG2 3.25Å; Q135-V139 WeakPolarHBondContact O-CG2 3.31Å; Q135-V139 PolarHBondContact O-N 3.15Å; Q135-K159 PolarHBondContact NE2-O 3.17Å; Q135-F161 HydrophobicContact CB-CB 4.24Å; Q135-F161 HydrophobicContact CB-CD2 3.75Å; Q135-F161 HydrophobicContact CB-CE2 4.2Å; Q135-F161 HydrophobicContact CB-CG 3.95Å; Q135-F161 HydrophobicContact CG-CB 4.21Å; Q135-F161 HydrophobicContact CG-CD1 4.06Å; Q135-F161 HydrophobicContact CG-CD2 4.15Å; Q135-F161 HydrophobicContact CG-CE1 4.47Å; Q135-F161 HydrophobicContact CG-CG 3.88Å
136A94.2Very high93.2Very high24 Ų2439.8 Ų39.820%0.19822%0.219CC..Hα-helixtrans-61.1-43.5176.800000111.1E132 Y133 L138 V139 L140 L169E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 2.86Å; Y133-A136 PolarHBondContact O-N 3.47Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.23Å; A136-V139 WeakPolarHBondContact O-CB 3.28Å; A136-V139 PolarHBondContact O-N 2.8Å; A136-V139 VanDerWaalsContact O-N 3.16Å; A136-L140 VanDerWaalsContact O-CG 3.31Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 2.93Å; A136-L169 HydrophobicContact CB-CD2 4.14Å
137S93Very high93.6Very high56 Ų5637.5 Ų37.539%0.39220%0.195SC..Hα-helixtrans-56.3-46174.4-175.60000112.1Y133 V134 Q135 V139 L140 S141Y133-S137 PolarHBondContact O-N 3.16Å; V134-S137 WeakPolarHBondContact O-CB 3.27Å; V134-S137 PolarHBondContact O-N 3.05Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-S137 PolarHBondContact O-N 3.35Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.81Å; S137-L140 PolarHBondContact O-N 2.99Å; S137-L140 VanDerWaalsContact O-N 3.15Å; S137-S141 PolarHBondContact O-N 3.44Å; S137-S141 PolarHBondContact O-OG 2.8Å
138L94.8Very high93.9Very high39 Ų3935.7 Ų35.720%0.20418%0.181CC..Hα-helixtrans-60.6-40.8176.4-176.264.7000112.7I95 G120 V134 Q135 A136 L140 S141 A142I95-L138 HydrophobicContact CD1-CD1 4.05Å; G120-L138 VanDerWaalsContact C-CD2 3.48Å; V134-L138 PolarHBondContact O-N 3.35Å; Q135-L138 PolarHBondContact O-N 2.94Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.23Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-S141 PolarHBondContact O-N 3.01Å; L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 2.67Å
139V96.1Very high94.4Very high0 Ų031.1 Ų31.10%016%0.159CC..Hα-helixtrans-65-39.4176.5177.40000110.9Q135 A136 S137 A142 L143 F156 K159 I160 L169Q135-V139 VanDerWaalsContact O-CG2 3.25Å; Q135-V139 WeakPolarHBondContact O-CG2 3.31Å; Q135-V139 PolarHBondContact O-N 3.15Å; A136-V139 WeakPolarHBondContact O-CB 3.28Å; A136-V139 PolarHBondContact O-N 2.8Å; A136-V139 VanDerWaalsContact O-N 3.16Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.81Å; V139-A142 PolarHBondContact O-N 2.75Å; V139-L143 WeakPolarHBondContact O-CB 3.4Å; V139-L143 PolarHBondContact O-N 2.76Å; V139-F156 HydrophobicContact CG1-CE1 4.35Å; V139-K159 WeakPolarHBondContact CG2-O 3.47Å; V139-I160 HydrophobicContact CG2-CG2 4.05Å; V139-L169 HydrophobicContact CB-CD1 4.34Å; V139-L169 HydrophobicContact CB-CD2 4.24Å; V139-L169 HydrophobicContact CG1-CD1 4.04Å; V139-L169 HydrophobicContact CG1-CD2 4.15Å; V139-L169 HydrophobicContact CG1-CG 4.49Å; V139-L169 HydrophobicContact CG2-CD2 4.39Å
140L94.7Very high94.8Very high27 Ų2726.8 Ų26.814%0.14114%0.136CC..Hα-helixtrans-68.4-37.4177.1-66.5-179.9000111.9A136 S137 L138 L143 N144 L169 Q172 F217A136-L140 VanDerWaalsContact O-CG 3.31Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 2.93Å; S137-L140 PolarHBondContact O-N 2.99Å; S137-L140 VanDerWaalsContact O-N 3.15Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L140-L143 HydrophobicContact CD2-CD2 4.41Å; L140-L143 WeakPolarHBondContact O-CB 3.25Å; L140-L143 PolarHBondContact O-N 2.86Å; L140-N144 WeakPolarHBondContact O-CB 3.26Å; L140-N144 PolarHBondContact O-N 2.76Å; L140-L169 HydrophobicContact CD2-CD1 3.46Å; L140-L169 VanDerWaalsContact CD2-CD1 3.46Å; L140-L169 HydrophobicContact CG-CD1 3.88Å; L140-Q172 HydrophobicContact CD2-CB 4.41Å; L140-F217 HydrophobicContact CB-CD2 3.99Å; L140-F217 HydrophobicContact CD1-CB 3.76Å; L140-F217 HydrophobicContact CD1-CD2 3.86Å; L140-F217 HydrophobicContact CD1-CG 3.84Å; L140-F217 HydrophobicContact CD2-CD2 3.56Å; L140-F217 HydrophobicContact CD2-CE2 3.59Å; L140-F217 HydrophobicContact CD2-CG 4.2Å; L140-F217 HydrophobicContact CD2-CZ 4.24Å; L140-F217 HydrophobicContact CG-CD2 3.98Å; L140-F217 HydrophobicContact CG-CE2 4.49Å; L140-F217 HydrophobicContact CG-CG 4.46Å
141S94.6Very high95.1Very high30 Ų3022.6 Ų22.621%0.2112%0.121CC..Hα-helixtrans-62.6-44.6170.4-63.90000111.8S137 L138 L143 N144 I145S137-S141 PolarHBondContact O-N 3.44Å; S137-S141 PolarHBondContact O-OG 2.8Å; L138-S141 PolarHBondContact O-N 3.01Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.5Å; S141-N144 WeakPolarHBondContact O-CB 3.42Å; S141-N144 PolarHBondContact O-N 2.92Å; S141-N144 VanDerWaalsContact O-N 3.17Å; S141-I145 PolarHBondContact O-N 3.3Å
142A96.9Very high95.4Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-63.8-37.8175.500000112.2L48 I95 C118 L138 V139 I145 S146 F156L48-A142 HydrophobicContact CD1-CB 3.96Å; I95-A142 HydrophobicContact CD1-CB 4.23Å; C118-A142 HydrophobicContact CB-CB 4.4Å; L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 2.67Å; V139-A142 PolarHBondContact O-N 2.75Å; A142-I145 VanDerWaalsContact O-CG2 3.26Å; A142-I145 WeakPolarHBondContact O-CG2 3.31Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 2.91Å; A142-S146 VanDerWaalsContact O-N 3.12Å; A142-S146 PolarHBondContact O-OG 2.97Å; A142-F156 HydrophobicContact CB-CE2 4.09Å; A142-F156 HydrophobicContact CB-CZ 3.98Å
143L96.1Very high95.6Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-62.2-46.1171172.964.1000110.7V139 L140 S141 I145 S146 L147 L173 F176 F177 F217V139-L143 WeakPolarHBondContact O-CB 3.4Å; V139-L143 PolarHBondContact O-N 2.76Å; L140-L143 HydrophobicContact CD2-CD2 4.41Å; L140-L143 WeakPolarHBondContact O-CB 3.25Å; L140-L143 PolarHBondContact O-N 2.86Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.5Å; L143-I145 PolarHBondContact O-N 3.4Å; L143-S146 CarbonylContact O-C 3.44Å; L143-S146 WeakPolarHBondContact O-CA 3.36Å; L143-S146 VanDerWaalsContact O-CB 3.23Å; L143-S146 WeakPolarHBondContact O-CB 3.47Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-L147 HydrophobicContact CD1-CD2 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-L147 VanDerWaalsContact O-N 3.09Å; L143-L173 HydrophobicContact CD1-CD2 4.23Å; L143-L173 HydrophobicContact CD2-CD2 3.97Å; L143-L173 HydrophobicContact CG-CD2 4.46Å; L143-F176 HydrophobicContact CD1-CD2 4.33Å; L143-F176 HydrophobicContact CD2-CD2 3.95Å; L143-F176 HydrophobicContact CD2-CE2 4.15Å; L143-F177 HydrophobicContact CD1-CE2 3.72Å; L143-F177 HydrophobicContact CD1-CZ 4.3Å; L143-F217 HydrophobicContact CD2-CE2 3.86Å; L143-F217 HydrophobicContact CD2-CZ 4.32Å
144N94.8Very high95.9Very high11 Ų1122.9 Ų22.96%0.05915%0.146CC..Hα-helixtrans-58.2-49.4-175.6-163.848000111.9L140 S141 S146 L147 F148 I212L140-N144 WeakPolarHBondContact O-CB 3.26Å; L140-N144 PolarHBondContact O-N 2.76Å; S141-N144 WeakPolarHBondContact O-CB 3.42Å; S141-N144 PolarHBondContact O-N 2.92Å; S141-N144 VanDerWaalsContact O-N 3.17Å; N144-S146 VanDerWaalsContact C-N 3.29Å; N144-S146 PolarHBondContact O-N 3.11Å; N144-L147 WeakPolarHBondContact O-CB 3.5Å; N144-L147 PolarHBondContact O-N 3.43Å; N144-F148 WeakPolarHBondContact O-CD2 3.46Å; N144-I212 PolarHBondContact ND2-O 3.01Å
145I95.7Very high96.2Very high0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-64.7-35.6174.4-168.2169.6000111.7L48 I95 T100 A101 I104 S141 A142 L143 L147 F148 I149L48-I145 HydrophobicContact CD1-CG2 3.67Å; L48-I145 HydrophobicContact CD2-CG2 4.37Å; I95-I145 HydrophobicContact CB-CD1 4.49Å; I95-I145 HydrophobicContact CB-CG2 4.41Å; I95-I145 WeakPolarHBondContact O-CB 3.25Å; T100-I145 HydrophobicContact CG2-CD1 4.06Å; A101-I145 HydrophobicContact CB-CD1 4.19Å; A101-I145 HydrophobicContact CB-CG1 3.99Å; I104-I145 HydrophobicContact CD1-CD1 3.89Å; S141-I145 PolarHBondContact O-N 3.3Å; A142-I145 VanDerWaalsContact O-CG2 3.26Å; A142-I145 WeakPolarHBondContact O-CG2 3.31Å; L143-I145 PolarHBondContact O-N 3.4Å; I145-L147 PolarHBondContact O-N 3.07Å; I145-F148 PolarHBondContact O-N 3.45Å; I145-I149 HydrophobicContact CG1-CD1 4.28Å; I145-I149 HydrophobicContact CG1-CG2 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.32Å; I145-I149 PolarHBondContact O-N 3.1Å
146S97.2Very high96.4Very high0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-58.3-30.5176.3-61.40000112.8V116 A142 L143 N144 F148 I149 L150 F156V116-S146 WeakPolarHBondContact CG1-OG 3.33Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 2.91Å; A142-S146 VanDerWaalsContact O-N 3.12Å; A142-S146 PolarHBondContact O-OG 2.97Å; L143-S146 CarbonylContact O-C 3.44Å; L143-S146 WeakPolarHBondContact O-CA 3.36Å; L143-S146 VanDerWaalsContact O-CB 3.23Å; L143-S146 WeakPolarHBondContact O-CB 3.47Å; L143-S146 PolarHBondContact O-N 2.94Å; N144-S146 VanDerWaalsContact C-N 3.29Å; N144-S146 PolarHBondContact O-N 3.11Å; S146-F148 PolarHBondContact O-N 3.49Å; S146-F148 VanDerWaalsContact O-N 3.17Å; S146-I149 PolarHBondContact O-N 2.82Å; S146-L150 WeakPolarHBondContact O-CA 3.19Å; S146-L150 WeakPolarHBondContact O-CB 3.44Å; S146-L150 PolarHBondContact O-N 2.69Å; S146-F156 WeakPolarHBondContact OG-CD2 3.41Å
147L95.6Very high96.6Very high0 Ų020.9 Ų20.90%013%0.132CC..Hα-helixtrans-61.2-27.1177.8-55.1179.2000113.2L143 N144 I145 F176 F202 L204 F208 P210 I216L143-L147 HydrophobicContact CD1-CD2 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-L147 VanDerWaalsContact O-N 3.09Å; N144-L147 WeakPolarHBondContact O-CB 3.5Å; N144-L147 PolarHBondContact O-N 3.43Å; I145-L147 PolarHBondContact O-N 3.07Å; L147-F176 HydrophobicContact CD1-CE1 4.49Å; L147-F176 HydrophobicContact CD1-CZ 4.46Å; L147-F176 HydrophobicContact CD2-CD1 3.86Å; L147-F176 HydrophobicContact CD2-CD2 4.47Å; L147-F176 HydrophobicContact CD2-CE1 4.11Å; L147-F176 HydrophobicContact CD2-CG 4.05Å; L147-F202 HydrophobicContact CD2-CE2 3.67Å; L147-F202 HydrophobicContact CD2-CZ 3.89Å; L147-L204 HydrophobicContact CD2-CD2 4.08Å; L147-F208 HydrophobicContact CD1-CE1 4.11Å; L147-F208 HydrophobicContact CD1-CZ 4.31Å; L147-P210 HydrophobicContact CB-CB 3.85Å; L147-P210 HydrophobicContact CB-CG 3.95Å; L147-P210 HydrophobicContact CD1-CB 4.47Å; L147-I216 HydrophobicContact CD1-CD1 3.31Å; L147-I216 HydrophobicContact CD1-CG1 4.48Å
148F95.1Very high96.8Very high53 Ų5318.2 Ų18.223%0.23211%0.113CC..Hα-helixtrans-88.5-40.3178.3-65.5-88.8000112I105 K112 N144 I145 S146 P210 I212I105-F148 HydrophobicContact CD1-CB 4.44Å; K112-F148 WeakPolarHBondContact CD-O 3.43Å; K112-F148 VanDerWaalsContact CE-O 3.27Å; K112-F148 WeakPolarHBondContact CE-O 3.34Å; N144-F148 WeakPolarHBondContact O-CD2 3.46Å; I145-F148 PolarHBondContact O-N 3.45Å; S146-F148 PolarHBondContact O-N 3.49Å; S146-F148 VanDerWaalsContact O-N 3.17Å; F148-P210 HydrophobicContact CD1-CB 4.38Å; F148-P210 HydrophobicContact CD2-CB 4.32Å; F148-P210 HydrophobicContact CE1-CB 3.83Å; F148-P210 HydrophobicContact CE2-CB 3.74Å; F148-P210 VanDerWaalsContact CZ-C 3.44Å; F148-P210 HydrophobicContact CZ-CB 3.47Å; F148-P210 VanDerWaalsContact CZ-CB 3.47Å; F148-P210 WeakPolarHBondContact CZ-O 3.37Å; F148-I212 HydrophobicContact CD2-CB 4.4Å; F148-I212 HydrophobicContact CD2-CD1 4.29Å; F148-I212 HydrophobicContact CE2-CB 3.64Å; F148-I212 HydrophobicContact CE2-CD1 4.35Å; F148-I212 HydrophobicContact CE2-CG1 4.36Å; F148-I212 HydrophobicContact CZ-CB 3.79Å; F148-I212 HydrophobicContact CZ-CG2 4.5Å; F148-I212 VanDerWaalsContact CZ-N 3.29Å
149I97.2Very high97Very high1 Ų117 Ų171%0.00511%0.106CC..Hα-helixtrans-99.8-15.4-168.369.2179.5000114.2V46 I104 I105 K112 A113 V116 I145 S146V46-I149 HydrophobicContact CB-CD1 4.24Å; V46-I149 HydrophobicContact CG1-CD1 4Å; V46-I149 HydrophobicContact CG2-CD1 4.13Å; I104-I149 HydrophobicContact CB-CG2 4.21Å; I104-I149 HydrophobicContact CD1-CD1 4.01Å; I104-I149 HydrophobicContact CD1-CG2 4.32Å; I104-I149 HydrophobicContact CG2-CB 4.2Å; I104-I149 HydrophobicContact CG2-CD1 4.42Å; I104-I149 HydrophobicContact CG2-CG2 3.94Å; I105-I149 HydrophobicContact CD1-CG2 4.41Å; I105-I149 HydrophobicContact CG1-CG2 4.05Å; K112-I149 CarbonylContact C-O 3.57Å; K112-I149 WeakPolarHBondContact CA-O 3.4Å; K112-I149 WeakPolarHBondContact CB-O 3.27Å; A113-I149 PolarHBondContact N-O 2.87Å; V116-I149 HydrophobicContact CG2-CD1 4.04Å; V116-I149 HydrophobicContact CG2-CG1 4.07Å; I145-I149 HydrophobicContact CG1-CD1 4.28Å; I145-I149 HydrophobicContact CG1-CG2 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.32Å; I145-I149 PolarHBondContact O-N 3.1Å; S146-I149 PolarHBondContact O-N 2.82Å
150L98.2Very high97Very high0 Ų017.1 Ų17.10%011%0.107CC..EExtended strand (participates in β ladder)trans-91.4132.3-177.5-167.966.8000111K112 V116 S146 T155 F156 F177 F202K112-L150 WeakPolarHBondContact CD-O 3.39Å; V116-L150 HydrophobicContact CB-CD1 4.26Å; V116-L150 HydrophobicContact CG2-CB 4.32Å; V116-L150 HydrophobicContact CG2-CD1 3.7Å; S146-L150 WeakPolarHBondContact O-CA 3.19Å; S146-L150 WeakPolarHBondContact O-CB 3.44Å; S146-L150 PolarHBondContact O-N 2.69Å; L150-T155 WeakPolarHBondContact CD1-O 3.47Å; L150-F156 HydrophobicContact CD2-CB 4.22Å; L150-F177 HydrophobicContact CD2-CE1 3.76Å; L150-F177 HydrophobicContact CD2-CZ 3.94Å; L150-F202 HydrophobicContact CB-CD1 4.16Å; L150-F202 HydrophobicContact CB-CE1 4.29Å; L150-F202 HydrophobicContact CD2-CB 3.64Å; L150-F202 HydrophobicContact CD2-CD1 4.08Å; L150-F202 HydrophobicContact CD2-CD2 3.9Å; L150-F202 HydrophobicContact CD2-CG 3.6Å; L150-F202 HydrophobicContact CG-CB 4.18Å; L150-F202 HydrophobicContact CG-CD1 4.06Å; L150-F202 HydrophobicContact CG-CG 4.07Å; L150-F202 WeakPolarHBondContact O-CE1 3.2Å
151A98Very high97Very high19 Ų1917.2 Ų17.216%0.15711%0.106CC..EExtended strand (participates in β ladder)trans-75.1151.8177.700000111.2K112 A113 G153 G154 F202K112-A151 HydrophobicContact CB-CB 3.83Å; A113-A151 WeakPolarHBondContact O-CB 3.26Å; A113-A151 PolarHBondContact O-N 3.15Å; A151-G153 PolarHBondContact O-N 3.34Å; A151-G154 WeakPolarHBondContact O-CA 3.42Å; A151-G154 PolarHBondContact O-N 3.1Å; A151-F202 WeakPolarHBondContact O-CD1 3.46Å
152D97.7Very high96.8Very high125 Ų12523.1 Ų23.167%0.66812%0.124SC*.EExtended strand (participates in β ladder)trans-55.9137.5171.4-72-2.2000110.5G154D152-G154 PolarHBondContact O-N 2.82Å
153G97.8Very high96.2Very high49 Ų4924 Ų2451%0.50513%0.133SC..EExtended strand (participates in β ladder)trans78-5.9-171.500000114.5A151 F202A151-G153 PolarHBondContact O-N 3.34Å; G153-F202 PolarHBondContact N-O 2.83Å
154G98.4Very high95.5Very high4 Ų433.3 Ų33.34%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-65170.1-177.600000114.6E114 A151 D152 K201 F202E114-G154 VanDerWaalsContact O-CA 3.29Å; E114-G154 WeakPolarHBondContact O-CA 3.36Å; A151-G154 WeakPolarHBondContact O-CA 3.42Å; A151-G154 PolarHBondContact O-N 3.1Å; D152-G154 PolarHBondContact O-N 2.82Å; G154-K201 PolarHBondContact O-N 2.6Å; G154-F202 WeakPolarHBondContact O-CB 3.48Å; G154-F202 PolarHBondContact O-N 3.39Å
155T98.8Very high94.7Very high24 Ų2438.4 Ų38.415%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-117.7137.5-178.1-61.80000111.2L38 E114 L115 V116 L150 V157 V198 C199 R200L38-T155 HydrophobicContact CD2-CG2 3.89Å; E114-T155 PolarHBondContact O-N 2.59Å; L115-T155 WeakPolarHBondContact CA-O 3.43Å; L115-T155 HydrophobicContact CD1-CG2 3.95Å; V116-T155 PolarHBondContact N-O 3.29Å; L150-T155 WeakPolarHBondContact CD1-O 3.47Å; T155-V157 HydrophobicContact CG2-CG2 4.08Å; T155-V198 HydrophobicContact CG2-CG1 4.48Å; T155-C199 CarbonylContact C-O 3.59Å; T155-C199 WeakPolarHBondContact CA-O 3.44Å; T155-C199 WeakPolarHBondContact CG2-O 3.31Å; T155-R200 HydrophobicContact CG2-CG 4.05Å
156F98.7Very high94.2Very high0 Ų039.1 Ų39.10%020%0.2CC..EExtended strand (participates in β ladder)trans-120.2128.2173.8173.2-103.3000109.8V116 V139 A142 S146 L150 L173 F177 C199V116-F156 HydrophobicContact CB-CD2 4.03Å; V116-F156 HydrophobicContact CG1-CD2 3.84Å; V116-F156 HydrophobicContact CG1-CE2 4.11Å; V116-F156 CarbonylContact O-C 3.52Å; V116-F156 VanDerWaalsContact O-CA 3.3Å; V116-F156 WeakPolarHBondContact O-CA 3.46Å; V139-F156 HydrophobicContact CG1-CE1 4.35Å; A142-F156 HydrophobicContact CB-CE2 4.09Å; A142-F156 HydrophobicContact CB-CZ 3.98Å; S146-F156 WeakPolarHBondContact OG-CD2 3.41Å; L150-F156 HydrophobicContact CD2-CB 4.22Å; F156-L173 HydrophobicContact CD1-CD2 4.32Å; F156-L173 HydrophobicContact CE1-CD2 4.09Å; F156-F177 HydrophobicContact CB-CE1 3.68Å; F156-F177 HydrophobicContact CB-CE2 4.34Å; F156-F177 HydrophobicContact CB-CZ 3.4Å; F156-F177 VanDerWaalsContact CB-CZ 3.4Å; F156-F177 HydrophobicContact CD1-CZ 4.37Å; F156-F177 HydrophobicContact CG-CZ 4.12Å; F156-C199 HydrophobicContact CB-CB 4.16Å; F156-C199 HydrophobicContact CD1-CB 4.32Å; F156-C199 PolarHBondContact N-O 3.07Å; F156-C199 WeakPolarHBondContact O-CB 3.29Å; F156-C199 PolarHBondContact O-N 2.91Å
157V98.8Very high93.9Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-123.7128.1177.4-176.90000109.2I32 L38 W55 L115 V116 V117 C118 T155 V197 V198I32-V157 HydrophobicContact CD1-CG1 4.17Å; L38-V157 HydrophobicContact CD1-CG2 3.94Å; L38-V157 HydrophobicContact CD2-CG2 3.86Å; W55-V157 HydrophobicContact CH2-CG1 4.34Å; L115-V157 HydrophobicContact CD1-CG2 4.45Å; V116-V157 PolarHBondContact O-N 3.31Å; V117-V157 CarbonylContact C-O 3.55Å; V117-V157 VanDerWaalsContact CA-O 3.28Å; V117-V157 WeakPolarHBondContact CA-O 3.36Å; V117-V157 HydrophobicContact CG1-CB 4.21Å; C118-V157 PolarHBondContact N-O 3.49Å; T155-V157 HydrophobicContact CG2-CG2 4.08Å; V157-V197 VanDerWaalsContact CA-O 3.31Å; V157-V197 WeakPolarHBondContact CA-O 3.25Å; V157-V198 HydrophobicContact CG1-CG2 4.37Å; V157-V198 HydrophobicContact CG2-CG1 4.4Å; V157-V198 HydrophobicContact CG2-CG2 4.37Å
158S98.4Very high93.7Very high0 Ų048.7 Ų48.70%025%0.254CS..EExtended strand (participates in β ladder)trans-143.9149179.1-172.70000113.2C118 F196 V197C118-S158 CarbonylContact O-C 3.6Å; C118-S158 VanDerWaalsContact O-CA 3.27Å; C118-S158 WeakPolarHBondContact O-CA 3.49Å; S158-F196 CarbonylContact O-C 3.53Å; S158-F196 VanDerWaalsContact O-CA 3.25Å; S158-F196 WeakPolarHBondContact O-CA 3.42Å; S158-V197 PolarHBondContact N-O 3.19Å; S158-V197 VanDerWaalsContact N-O 3.07Å; S158-V197 PolarHBondContact O-N 2.97Å
159K97.5Very high93.6Very high15 Ų1546.8 Ų46.87%0.06525%0.246CC..EExtended strand (participates in β ladder)trans-66.8135.1168.6179.2-175.7-73.1147.10110.1C118 D119 A121 Q135 V139 F161 E194 F196C118-K159 PolarHBondContact O-N 3.3Å; D119-K159 PolarHBondContact O-NZ 2.95Å; D119-K159 WeakPolarHBondContact OD1-CE 3.48Å; D119-K159 IonicContact OD1-NZ 3.73Å; D119-K159 PolarHBondContact OD1-NZ 3.44Å; D119-K159 IonicContact OD2-NZ 2.58Å; A121-K159 HydrophobicContact CB-CD 3.9Å; Q135-K159 PolarHBondContact NE2-O 3.17Å; V139-K159 WeakPolarHBondContact CG2-O 3.47Å; K159-F161 HydrophobicContact CD-CE1 4.14Å; K159-E194 HydrophobicContact CD-CG 4.27Å; K159-E194 VanDerWaalsContact CE-OE2 3.26Å; K159-E194 WeakPolarHBondContact CE-OE2 3.14Å; K159-E194 HydrophobicContact CG-CG 4.17Å; K159-E194 IonicContact NZ-OE2 3.92Å; K159-F196 HydrophobicContact CB-CD1 4.21Å; K159-F196 HydrophobicContact CB-CE1 3.76Å; K159-F196 HydrophobicContact CB-CZ 4.27Å; K159-F196 HydrophobicContact CG-CE1 4.39Å; K159-F196 HydrophobicContact CG-CZ 4.43Å
160I96.1Very high93.5Very high2 Ų249.4 Ų49.41%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-128.9155.8171.665.8170.3000110.1V139 V166 L169 I182 S195 V197V139-I160 HydrophobicContact CG2-CG2 4.05Å; I160-V166 HydrophobicContact CD1-CG2 3.84Å; I160-L169 HydrophobicContact CB-CD2 4.45Å; I160-L169 HydrophobicContact CG2-CD2 3.9Å; I160-I182 HydrophobicContact CD1-CD1 3.44Å; I160-I182 VanDerWaalsContact CD1-CD1 3.44Å; I160-I182 HydrophobicContact CD1-CG1 4.41Å; I160-I182 HydrophobicContact CD1-CG2 4.11Å; I160-S195 PolarHBondContact N-O 3.08Å; I160-S195 PolarHBondContact O-N 3.01Å; I160-V197 HydrophobicContact CD1-CB 4.45Å; I160-V197 HydrophobicContact CG2-CB 4.12Å; I160-V197 HydrophobicContact CG2-CG1 3.88Å
161F94.7Very high93.3Very high29 Ų2958.2 Ų58.213%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-100.3117.6165.6-71.8-7.3000108.6A121 V124 D131 Q135 K159 G163A121-F161 HydrophobicContact CB-CZ 4.48Å; V124-F161 HydrophobicContact CG2-CE2 4.34Å; V124-F161 HydrophobicContact CG2-CZ 4.29Å; D131-F161 HydrophobicContact CB-CD2 4.16Å; D131-F161 HydrophobicContact CB-CE2 4.2Å; D131-F161 WeakPolarHBondContact O-CD2 2.92Å; Q135-F161 HydrophobicContact CB-CB 4.24Å; Q135-F161 HydrophobicContact CB-CD2 3.75Å; Q135-F161 HydrophobicContact CB-CE2 4.2Å; Q135-F161 HydrophobicContact CB-CG 3.95Å; Q135-F161 HydrophobicContact CG-CB 4.21Å; Q135-F161 HydrophobicContact CG-CD1 4.06Å; Q135-F161 HydrophobicContact CG-CD2 4.15Å; Q135-F161 HydrophobicContact CG-CE1 4.47Å; Q135-F161 HydrophobicContact CG-CG 3.88Å; K159-F161 HydrophobicContact CD-CE1 4.14Å; F161-G163 PolarHBondContact O-N 2.78Å; F161-G163 VanDerWaalsContact O-N 3.11Å
162R90.4Very high93.1Very high153 Ų15359.2 Ų59.258%0.57729%0.293SS*.  trans-86.279.8-177.1-164.5174.571.9111.42.3109.7V166 Y193R162-V166 HydrophobicContact CG-CB 4.39Å; R162-V166 HydrophobicContact CG-CG1 4.03Å; R162-V166 HydrophobicContact CG-CG2 4.23Å; R162-Y193 PolarHBondContact N-O 3.05Å; R162-Y193 WeakPolarHBondContact O-CD1 3.35Å
163G85Confident93Very high20 Ų2053.2 Ų53.221%0.20626%0.261CS..SBendtrans-99.6-145.917300000112.1E132 F161E132-G163 WeakPolarHBondContact OE1-CA 3.35Å; E132-G163 PolarHBondContact OE1-N 3.32Å; E132-G163 WeakPolarHBondContact OE2-CA 3.25Å; F161-G163 PolarHBondContact O-N 2.78Å; F161-G163 VanDerWaalsContact O-N 3.11Å
164R82.3Confident92.9Very high194 Ų19452.8 Ų52.873%0.73225%0.25SS*.SBendtrans-75.5-32.4-171.8-72.1179.8180146-5112.6D129 E132D129-R164 IonicContact OD1-NH1 2.98Å; D129-R164 IonicContact OD2-NH1 3.82Å; D129-R164 PolarHBondContact OD2-NH1 3.38Å; E132-R164 PolarHBondContact OE1-N 2.79Å; E132-R164 PolarHBondContact OE2-N 3.38Å
165N77.9Confident92.7Very high118 Ų11857.9 Ų57.963%0.63127%0.272SS*.SBendtrans-11113.2-168.2-68-29.3000113.6E132 T167 L168E132-N165 PolarHBondContact OE1-N 2.67Å; E132-N165 VanDerWaalsContact OE1-N 3.08Å; N165-T167 PolarHBondContact O-N 3.23Å; N165-L168 PolarHBondContact O-N 2.87Å; N165-L168 VanDerWaalsContact O-N 3.07Å
166V85.3Confident92.6Very high16 Ų1656.8 Ų56.810%0.09727%0.265CS..Hα-helixtrans-52.4-24.8179.1720000114.5E132 I160 R162 L168 L169 Q170E132-V166 PolarHBondContact OE1-N 3.42Å; I160-V166 HydrophobicContact CD1-CG2 3.84Å; R162-V166 HydrophobicContact CG-CB 4.39Å; R162-V166 HydrophobicContact CG-CG1 4.03Å; R162-V166 HydrophobicContact CG-CG2 4.23Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 3.3Å; V166-L169 PolarHBondContact O-N 3.3Å; V166-Q170 WeakPolarHBondContact O-CG 3.07Å; V166-Q170 PolarHBondContact O-N 3.22Å; V166-Q170 VanDerWaalsContact O-N 3.1Å
167T90.7Very high92.5Very high92 Ų9257 Ų5756%0.56427%0.266SS*.Hα-helixtrans-67.2-30179.851.80000113.1N165 Q170 R171N165-T167 PolarHBondContact O-N 3.23Å; T167-Q170 PolarHBondContact O-N 3.31Å; T167-R171 WeakPolarHBondContact O-CB 3.48Å; T167-R171 PolarHBondContact O-N 3.3Å
168L91.5Very high92.5Very high109 Ų10963.7 Ų63.757%0.57130%0.297SS*.Hα-helixtrans-63.3-49.7174.6175.859.7000110.4N165 V166 Q170 R171 Q172N165-L168 PolarHBondContact O-N 2.87Å; N165-L168 VanDerWaalsContact O-N 3.07Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 3.3Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.13Å; L168-R171 WeakPolarHBondContact O-CB 3.49Å; L168-R171 PolarHBondContact O-N 3.29Å; L168-R171 VanDerWaalsContact O-N 3.11Å; L168-Q172 HydrophobicContact CD1-CG 4.38Å; L168-Q172 WeakPolarHBondContact O-CG 3.43Å; L168-Q172 PolarHBondContact O-N 3.28Å
169L93.3Very high92.5Very high13 Ų1364.9 Ų64.97%0.06831%0.305CS..Hα-helixtrans-60.4-43.4177.7-179.461.7000111.8A136 V139 L140 I160 V166 R171 Q172 L173A136-L169 HydrophobicContact CB-CD2 4.14Å; V139-L169 HydrophobicContact CB-CD1 4.34Å; V139-L169 HydrophobicContact CB-CD2 4.24Å; V139-L169 HydrophobicContact CG1-CD1 4.04Å; V139-L169 HydrophobicContact CG1-CD2 4.15Å; V139-L169 HydrophobicContact CG1-CG 4.49Å; V139-L169 HydrophobicContact CG2-CD2 4.39Å; L140-L169 HydrophobicContact CD2-CD1 3.46Å; L140-L169 VanDerWaalsContact CD2-CD1 3.46Å; L140-L169 HydrophobicContact CG-CD1 3.88Å; I160-L169 HydrophobicContact CB-CD2 4.45Å; I160-L169 HydrophobicContact CG2-CD2 3.9Å; V166-L169 PolarHBondContact O-N 3.3Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 PolarHBondContact O-N 3.21Å; L169-Q172 PolarHBondContact O-N 3.43Å; L169-L173 HydrophobicContact CD1-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 4.13Å; L169-L173 WeakPolarHBondContact O-CG 3.33Å; L169-L173 PolarHBondContact O-N 3.34Å
170Q94.2Very high92.5Very high55 Ų5565.9 Ų65.926%0.25731%0.312SS..Hα-helixtrans-59-41.9174.8-70164.923.100111.8V166 T167 L168 L173 S174 I182V166-Q170 WeakPolarHBondContact O-CG 3.07Å; V166-Q170 PolarHBondContact O-N 3.22Å; V166-Q170 VanDerWaalsContact O-N 3.1Å; T167-Q170 PolarHBondContact O-N 3.31Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.13Å; Q170-L173 PolarHBondContact O-N 3.21Å; Q170-S174 WeakPolarHBondContact O-CB 3.33Å; Q170-S174 PolarHBondContact O-N 2.8Å; Q170-I182 HydrophobicContact CG-CD1 3.72Å; Q170-I182 HydrophobicContact CG-CG1 4.18Å
171R93.7Very high92.6Very high186 Ų18668.2 Ų68.270%0.70233%0.325SS*.Hα-helixtrans-66.9-42.2178.7-174.659.3179.6163.4-2.3111.6T167 L168 L169 L173 S174 F175T167-R171 WeakPolarHBondContact O-CB 3.48Å; T167-R171 PolarHBondContact O-N 3.3Å; L168-R171 WeakPolarHBondContact O-CB 3.49Å; L168-R171 PolarHBondContact O-N 3.29Å; L168-R171 VanDerWaalsContact O-N 3.11Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 PolarHBondContact O-N 3.21Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 2.61Å; R171-S174 PolarHBondContact NH1-OG 2.79Å; R171-S174 PolarHBondContact O-N 2.73Å; R171-S174 PolarHBondContact O-OG 2.77Å; R171-F175 PolarHBondContact O-N 3.02Å
172Q93.2Very high92.7Very high39 Ų3969.6 Ų69.618%0.18233%0.333CS..Hα-helixtrans-59.1-44.4174.9-71170.8-43.100111.4L140 L168 L169 F175 F217L140-Q172 HydrophobicContact CD2-CB 4.41Å; L168-Q172 HydrophobicContact CD1-CG 4.38Å; L168-Q172 WeakPolarHBondContact O-CG 3.43Å; L168-Q172 PolarHBondContact O-N 3.28Å; L169-Q172 PolarHBondContact O-N 3.43Å; Q172-F175 WeakPolarHBondContact O-CB 3.28Å; Q172-F175 PolarHBondContact O-N 2.85Å; Q172-F217 HydrophobicContact CB-CE1 3.77Å; Q172-F217 HydrophobicContact CB-CZ 3.75Å; Q172-F217 HydrophobicContact CG-CD1 4.05Å; Q172-F217 HydrophobicContact CG-CE1 3.51Å; Q172-F217 HydrophobicContact CG-CZ 4.04Å
173L96.2Very high93Very high0 Ų063 Ų630%031%0.31CS..Hα-helixtrans-64.2-42.5175-69163.2000111.8L143 F156 L169 Q170 R171 F175 F176 F177 V180 V197L143-L173 HydrophobicContact CD1-CD2 4.23Å; L143-L173 HydrophobicContact CD2-CD2 3.97Å; L143-L173 HydrophobicContact CG-CD2 4.46Å; F156-L173 HydrophobicContact CD1-CD2 4.32Å; F156-L173 HydrophobicContact CE1-CD2 4.09Å; L169-L173 HydrophobicContact CD1-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 4.13Å; L169-L173 WeakPolarHBondContact O-CG 3.33Å; L169-L173 PolarHBondContact O-N 3.34Å; Q170-L173 PolarHBondContact O-N 3.21Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 2.61Å; L173-F175 PolarHBondContact O-N 3.31Å; L173-F176 PolarHBondContact O-N 3.42Å; L173-F177 HydrophobicContact CD2-CE2 4.48Å; L173-F177 WeakPolarHBondContact O-CD2 3.05Å; L173-F177 PolarHBondContact O-N 3Å; L173-V180 HydrophobicContact CB-CG1 4.29Å; L173-V180 HydrophobicContact CB-CG2 4.16Å; L173-V197 HydrophobicContact CD1-CB 4.36Å; L173-V197 HydrophobicContact CD1-CG1 3.91Å; L173-V197 HydrophobicContact CD1-CG2 3.89Å
174S95.9Very high93.5Very high40 Ų4065.6 Ų65.628%0.2832%0.315SS..THydrogen-bonded Turntrans-61.7-11.6-178.574.60000114.8Q170 R171 F176Q170-S174 WeakPolarHBondContact O-CB 3.33Å; Q170-S174 PolarHBondContact O-N 2.8Å; R171-S174 PolarHBondContact NH1-OG 2.79Å; R171-S174 PolarHBondContact O-N 2.73Å; R171-S174 PolarHBondContact O-OG 2.77Å; S174-F176 VanDerWaalsContact C-N 3.34Å
175F93.6Very high94.2Very high111 Ų11156.8 Ų56.849%0.48728%0.283SS..THydrogen-bonded Turntrans-73-27.7174-167.6-118000112.8R171 Q172 L173 P205R171-F175 PolarHBondContact O-N 3.02Å; Q172-F175 WeakPolarHBondContact O-CB 3.28Å; Q172-F175 PolarHBondContact O-N 2.85Å; L173-F175 PolarHBondContact O-N 3.31Å; F175-P205 HydrophobicContact CD1-CG 3.72Å; F175-P205 HydrophobicContact CD2-CG 4.42Å; F175-P205 HydrophobicContact CE1-CB 4.09Å; F175-P205 HydrophobicContact CE1-CG 3.43Å; F175-P205 VanDerWaalsContact CE1-CG 3.43Å; F175-P205 HydrophobicContact CE2-CB 4.46Å; F175-P205 HydrophobicContact CE2-CG 4.14Å; F175-P205 HydrophobicContact CG-CG 4.23Å; F175-P205 HydrophobicContact CZ-CB 3.88Å; F175-P205 HydrophobicContact CZ-CG 3.63Å; F175-P205 WeakPolarHBondContact O-CG 3.21Å
176F96.6Very high94.9Very high0 Ų061.7 Ų61.70%029%0.293CS..THydrogen-bonded Turntrans-109.9-3.7-175.8-59.9-73.2000113.8L143 L147 L173 S174 F202 S203 L204 P205 F208 I216 F217L143-F176 HydrophobicContact CD1-CD2 4.33Å; L143-F176 HydrophobicContact CD2-CD2 3.95Å; L143-F176 HydrophobicContact CD2-CE2 4.15Å; L147-F176 HydrophobicContact CD1-CE1 4.49Å; L147-F176 HydrophobicContact CD1-CZ 4.46Å; L147-F176 HydrophobicContact CD2-CD1 3.86Å; L147-F176 HydrophobicContact CD2-CD2 4.47Å; L147-F176 HydrophobicContact CD2-CE1 4.11Å; L147-F176 HydrophobicContact CD2-CG 4.05Å; L173-F176 PolarHBondContact O-N 3.42Å; S174-F176 VanDerWaalsContact C-N 3.34Å; F176-F202 HydrophobicContact CB-CD2 4.26Å; F176-F202 HydrophobicContact CB-CE2 4.05Å; F176-F202 CarbonylContact O-C 3.41Å; F176-F202 WeakPolarHBondContact O-CA 3.32Å; F176-F202 WeakPolarHBondContact O-CD2 3.26Å; F176-S203 CarbonylContact C-O 3.59Å; F176-S203 PolarHBondContact O-N 2.98Å; F176-L204 HydrophobicContact CD1-CD2 4.21Å; F176-L204 HydrophobicContact CE1-CD2 4.46Å; F176-P205 HydrophobicContact CD1-CG 4.34Å; F176-P205 HydrophobicContact CE1-CG 4.35Å; F176-F208 AromaticContact CE1-CD1 4Å; F176-F208 HydrophobicContact CE1-CD1 4Å; F176-F208 AromaticContact CE1-CE1 3.77Å; F176-F208 HydrophobicContact CE1-CE1 3.77Å; F176-F208 HydrophobicContact CE1-CE2 4.33Å; F176-F208 HydrophobicContact CE1-CG 4.39Å; F176-F208 AromaticContact CE1-CZ 3.97Å; F176-F208 HydrophobicContact CE1-CZ 3.97Å; F176-F208 HydrophobicContact CZ-CE1 4.27Å; F176-F208 HydrophobicContact CZ-CE2 4.27Å; F176-F208 HydrophobicContact CZ-CZ 4.02Å; F176-I216 HydrophobicContact CE1-CD1 4.38Å; F176-I216 HydrophobicContact CE2-CD1 3.86Å; F176-I216 HydrophobicContact CZ-CD1 3.44Å; F176-I216 VanDerWaalsContact CZ-CD1 3.44Å; F176-F217 HydrophobicContact CE2-CZ 4.29Å
177F98.3Very high95.3Very high6 Ų661 Ų613%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-139.8138.3-174.7-62.6-89.8000110.8L143 L150 F156 L173 S179 V180 C199 F202L143-F177 HydrophobicContact CD1-CE2 3.72Å; L143-F177 HydrophobicContact CD1-CZ 4.3Å; L150-F177 HydrophobicContact CD2-CE1 3.76Å; L150-F177 HydrophobicContact CD2-CZ 3.94Å; F156-F177 HydrophobicContact CB-CE1 3.68Å; F156-F177 HydrophobicContact CB-CE2 4.34Å; F156-F177 HydrophobicContact CB-CZ 3.4Å; F156-F177 VanDerWaalsContact CB-CZ 3.4Å; F156-F177 HydrophobicContact CD1-CZ 4.37Å; F156-F177 HydrophobicContact CG-CZ 4.12Å; L173-F177 HydrophobicContact CD2-CE2 4.48Å; L173-F177 WeakPolarHBondContact O-CD2 3.05Å; L173-F177 PolarHBondContact O-N 3Å; F177-S179 VanDerWaalsContact C-N 3.34Å; F177-S179 PolarHBondContact O-N 3.15Å; F177-V180 HydrophobicContact CB-CG2 4.19Å; F177-C199 HydrophobicContact CB-CB 4Å; F177-C199 HydrophobicContact CD1-CB 3.5Å; F177-C199 VanDerWaalsContact CD1-CB 3.5Å; F177-C199 HydrophobicContact CD2-CB 3.61Å; F177-C199 HydrophobicContact CE1-CB 3.73Å; F177-C199 HydrophobicContact CE2-CB 3.86Å; F177-C199 HydrophobicContact CG-CB 3.44Å; F177-C199 VanDerWaalsContact CG-CB 3.44Å; F177-C199 HydrophobicContact CZ-CB 3.93Å; F177-F202 HydrophobicContact CD1-CB 3.88Å; F177-F202 HydrophobicContact CD1-CD2 4.18Å; F177-F202 HydrophobicContact CE1-CB 3.64Å; F177-F202 AromaticContact CE1-CD2 3.69Å; F177-F202 HydrophobicContact CE1-CD2 3.69Å; F177-F202 HydrophobicContact CE1-CG 4.09Å; F177-F202 HydrophobicContact CE2-CD2 4.23Å; F177-F202 HydrophobicContact CZ-CB 4.48Å; F177-F202 AromaticContact CZ-CD2 3.69Å; F177-F202 HydrophobicContact CZ-CD2 3.69Å; F177-F202 HydrophobicContact CZ-CE2 4.45Å; F177-F202 HydrophobicContact CZ-CG 4.48Å
178E97.9Very high95.3Very high140 Ų14057 Ų5765%0.65426%0.264SS*.EExtended strand (participates in β ladder)trans-65.3-37.6178.9-165.9-170.2118.600112.2R200 K201E178-R200 PolarHBondContact N-O 2.98Å; E178-K201 HydrophobicContact CB-CB 3.81Å; E178-K201 HydrophobicContact CB-CD 3.95Å; E178-K201 HydrophobicContact CG-CD 4.28Å; E178-K201 PolarHBondContact N-O 2.84Å; E178-K201 IonicContact OE1-NZ 3.06Å; E178-K201 PolarHBondContact OE1-NZ 3.05Å; E178-K201 WeakPolarHBondContact OE2-CD 2.86Å; E178-K201 IonicContact OE2-NZ 3Å; E178-K201 PolarHBondContact OE2-NZ 2.87Å
179S97.8Very high95.1Very high24 Ų2456.6 Ų56.617%0.16826%0.255CS..EExtended strand (participates in β ladder)trans-131.6133.9-179.966.90000111.6F177 C199 R200F177-S179 VanDerWaalsContact C-N 3.34Å; F177-S179 PolarHBondContact O-N 3.15Å; S179-C199 CarbonylContact O-C 3.58Å; S179-C199 WeakPolarHBondContact O-CA 3.39Å; S179-R200 PolarHBondContact N-O 3.18Å; S179-R200 PolarHBondContact O-N 3.31Å; S179-R200 WeakPolarHBondContact OG-CB 3.34Å; S179-R200 PolarHBondContact OG-NE 3.39Å; S179-R200 PolarHBondContact OG-NH2 3.04Å
180V98.1Very high94.7Very high36 Ų3659.6 Ų59.622%0.21829%0.289CS..EExtended strand (participates in β ladder)trans-129.6105.2179.2179.50000108.5L173 F177 V197L173-V180 HydrophobicContact CB-CG1 4.29Å; L173-V180 HydrophobicContact CB-CG2 4.16Å; F177-V180 HydrophobicContact CB-CG2 4.19Å; V180-V197 HydrophobicContact CG1-CG2 3.43Å; V180-V197 VanDerWaalsContact CG1-CG2 3.43Å
181D97.8Very high94.3Very high52 Ų5262.3 Ų62.328%0.27831%0.314SS..EExtended strand (participates in β ladder)trans-107.5132.2-177.8-65-49.9000110.5Y36 V183 V197 V198 R200Y36-D181 HydrophobicContact CE1-CB 3.99Å; Y36-D181 WeakPolarHBondContact CE1-OD2 3.38Å; Y36-D181 WeakPolarHBondContact OH-CB 3.43Å; D181-V183 HydrophobicContact CB-CG2 4.47Å; D181-V197 CarbonylContact O-C 3.55Å; D181-V197 WeakPolarHBondContact O-CA 3.3Å; D181-V198 PolarHBondContact N-O 2.84Å; D181-V198 PolarHBondContact O-N 3.08Å; D181-R200 IonicContact OD2-NH2 3.87Å; D181-R200 PolarHBondContact OD2-NH2 3.11Å
182I96.9Very high94Very high57 Ų5755.8 Ų55.829%0.29230%0.297SS..EExtended strand (participates in β ladder)trans-90.8120171.9-56.1-53.8000109.5I160 Q170 F196 V197I160-I182 HydrophobicContact CD1-CD1 3.44Å; I160-I182 VanDerWaalsContact CD1-CD1 3.44Å; I160-I182 HydrophobicContact CD1-CG1 4.41Å; I160-I182 HydrophobicContact CD1-CG2 4.11Å; Q170-I182 HydrophobicContact CG-CD1 3.72Å; Q170-I182 HydrophobicContact CG-CG1 4.18Å; I182-F196 CarbonylContact C-O 3.58Å; I182-F196 WeakPolarHBondContact CA-O 3.39Å; I182-V197 HydrophobicContact CD1-CB 4.05Å; I182-V197 HydrophobicContact CD1-CG2 3.85Å
183V96.8Very high93.9Very high15 Ų1558.7 Ų58.79%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-117.2139.8-173.4-175.10000110.5I32 Y36 D181 F196 V198I32-V183 HydrophobicContact CG1-CG1 4.19Å; Y36-V183 HydrophobicContact CD2-CG2 4.46Å; Y36-V183 HydrophobicContact CE2-CG1 4.29Å; Y36-V183 HydrophobicContact CE2-CG2 3.47Å; Y36-V183 VanDerWaalsContact CE2-CG2 3.47Å; Y36-V183 VanDerWaalsContact OH-CG2 3.29Å; Y36-V183 WeakPolarHBondContact OH-CG2 3.19Å; D181-V183 HydrophobicContact CB-CG2 4.47Å; V183-F196 PolarHBondContact N-O 2.64Å; V183-F196 PolarHBondContact O-N 3.23Å; V183-V198 HydrophobicContact CB-CG2 4.39Å; V183-V198 HydrophobicContact CG2-CB 4.36Å; V183-V198 HydrophobicContact CG2-CG2 3.7Å
184K96.2Very high93.7Very high75 Ų7560 Ų6033%0.32631%0.313SS..  trans-123.693.9174.8-175.376176.6-171.90109R189 S192 E194K184-R189 WeakPolarHBondContact CE-O 3.22Å; K184-R189 PolarHBondContact NZ-O 2.7Å; K184-S192 PolarHBondContact NZ-O 2.82Å; K184-E194 WeakPolarHBondContact CD-O 3.36Å; K184-E194 WeakPolarHBondContact CE-O 3.06Å; K184-E194 PolarHBondContact NZ-O 2.9Å
185P96Very high93.8Very high8 Ų858.2 Ų58.25%0.05230%0.301CS..  trans-57.9146.7177.2-2535.7000111.4K28 Q31 I32 S187 S188 F196K28-P185 HydrophobicContact CB-CB 4.4Å; K28-P185 HydrophobicContact CB-CG 4.27Å; Q31-P185 HydrophobicContact CB-CB 4.18Å; Q31-P185 VanDerWaalsContact OE1-CB 3.3Å; I32-P185 HydrophobicContact CD1-CG 3.92Å; I32-P185 HydrophobicContact CG1-CG 3.72Å; P185-S187 PolarHBondContact O-N 3.27Å; P185-S188 WeakPolarHBondContact O-CA 3.46Å; P185-S188 WeakPolarHBondContact O-CB 3.2Å; P185-S188 PolarHBondContact O-N 2.78Å; P185-F196 HydrophobicContact CG-CD2 3.82Å; P185-F196 HydrophobicContact CG-CE2 4.21Å
186R93.7Very high94Very high222 Ų22253 Ų5384%0.83828%0.278SS*.THydrogen-bonded Turntrans-63.7-21.7176.7-66.2-177.4178.2-177.30.9112.9Y12 S188Y12-R186 PolarHBondContact OH-O 3.18Å; R186-S188 VanDerWaalsContact C-N 3.31Å
187S93Very high94Very high2 Ų253 Ų531%0.01428%0.278CS..THydrogen-bonded Turntrans-72.8-23.117256.30000112.7Y12 R24 K28 Q31 P185Y12-S187 VanDerWaalsContact CE2-CA 3.43Å; R24-S187 PolarHBondContact NH2-O 3.38Å; K28-S187 WeakPolarHBondContact CA-OG 3.32Å; K28-S187 VanDerWaalsContact CG-OG 3.31Å; K28-S187 WeakPolarHBondContact CG-OG 3.2Å; K28-S187 PolarHBondContact N-OG 2.91Å; Q31-S187 VanDerWaalsContact OE1-CB 3.31Å; Q31-S187 PolarHBondContact OE1-OG 3.38Å; P185-S187 PolarHBondContact O-N 3.27Å
188S90.5Very high94Very high7 Ų752.7 Ų52.75%0.04928%0.277CS..SBendtrans-78.7134.6169.1-65.80000110.4P185 R186 G190 E194P185-S188 WeakPolarHBondContact O-CA 3.46Å; P185-S188 WeakPolarHBondContact O-CB 3.2Å; P185-S188 PolarHBondContact O-N 2.78Å; R186-S188 VanDerWaalsContact C-N 3.31Å; S188-G190 PolarHBondContact O-N 2.93Å; S188-E194 VanDerWaalsContact CB-OE1 3.22Å; S188-E194 WeakPolarHBondContact CB-OE1 3.37Å; S188-E194 PolarHBondContact OG-OE1 3.27Å
189R87.8Confident94.1Very high101 Ų10146 Ų4638%0.38125%0.246SC..  trans-66.4131-179.9-66.8-180179164.45109.9D10 K184 S191 S192D10-R189 IonicContact OD2-CZ 2.83Å; D10-R189 IonicContact OD2-NE 2.69Å; D10-R189 IonicContact OD2-NH2 3.78Å; D10-R189 PolarHBondContact OD2-NH2 3.48Å; K184-R189 WeakPolarHBondContact CE-O 3.22Å; K184-R189 PolarHBondContact NZ-O 2.7Å; R189-S191 PolarHBondContact O-N 3.32Å; R189-S192 WeakPolarHBondContact O-CB 3.37Å; R189-S192 PolarHBondContact O-N 3.16Å
190G84.8Confident94.1Very high75 Ų7549 Ų4977%0.77325%0.253SS*.THydrogen-bonded Turntrans-59-30179.100000114.1S188 S192S188-G190 PolarHBondContact O-N 2.93Å; G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 3.41Å
191S85.7Confident94.1Very high112 Ų11252 Ų5278%0.78326%0.263SS*.THydrogen-bonded Turntrans-78.8-6.2176.669.50000114.6R189R189-S191 PolarHBondContact O-N 3.32Å
192S87.7Confident94.1Very high50 Ų5049.6 Ų49.635%0.3525%0.25SS..SBendtrans-91.5148.1-179.5174.20000110.7K184 R189 G190 E194K184-S192 PolarHBondContact NZ-O 2.82Å; R189-S192 WeakPolarHBondContact O-CB 3.37Å; R189-S192 PolarHBondContact O-N 3.16Å; G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 3.41Å; S192-E194 PolarHBondContact O-N 3.27Å; S192-E194 VanDerWaalsContact OG-CB 3.28Å; S192-E194 WeakPolarHBondContact OG-CB 3.26Å; S192-E194 PolarHBondContact OG-N 3.04Å
193Y89.9Confident94.2Very high100 Ų10049.8 Ų49.839%0.39226%0.257SS..SBendtrans-68.3-18.9170.4-74.8-110.5000112.2H128 R162 S195H128-Y193 HydrophobicContact CB-CE1 4.49Å; R162-Y193 PolarHBondContact N-O 3.05Å; R162-Y193 WeakPolarHBondContact O-CD1 3.35Å; Y193-S195 PolarHBondContact O-N 2.83Å; Y193-S195 VanDerWaalsContact O-N 3.1Å
194E93.8Very high94.1Very high27 Ų2751.6 Ų51.613%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-55.3114.9178.5-178.4-17178.900111.2K28 K159 K184 S188 S192 F196K28-E194 WeakPolarHBondContact CE-OE1 3.43Å; K28-E194 IonicContact NZ-OE1 3.83Å; K28-E194 IonicContact NZ-OE2 2.67Å; K28-E194 PolarHBondContact NZ-OE2 3.43Å; K159-E194 HydrophobicContact CD-CG 4.27Å; K159-E194 VanDerWaalsContact CE-OE2 3.26Å; K159-E194 WeakPolarHBondContact CE-OE2 3.14Å; K159-E194 HydrophobicContact CG-CG 4.17Å; K159-E194 IonicContact NZ-OE2 3.92Å; K184-E194 WeakPolarHBondContact CD-O 3.36Å; K184-E194 WeakPolarHBondContact CE-O 3.06Å; K184-E194 PolarHBondContact NZ-O 2.9Å; S188-E194 VanDerWaalsContact CB-OE1 3.22Å; S188-E194 WeakPolarHBondContact CB-OE1 3.37Å; S188-E194 PolarHBondContact OG-OE1 3.27Å; S192-E194 PolarHBondContact O-N 3.27Å; S192-E194 VanDerWaalsContact OG-CB 3.28Å; S192-E194 WeakPolarHBondContact OG-CB 3.26Å; S192-E194 PolarHBondContact OG-N 3.04Å; E194-F196 HydrophobicContact CG-CE2 4.03Å; E194-F196 HydrophobicContact CG-CZ 4.36Å
195S96.2Very high93.9Very high3 Ų349.5 Ų49.52%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-130.2178.8165.9-52.40000107.6I160 Y193I160-S195 PolarHBondContact N-O 3.08Å; I160-S195 PolarHBondContact O-N 3.01Å; Y193-S195 PolarHBondContact O-N 2.83Å; Y193-S195 VanDerWaalsContact O-N 3.1Å
196F98Very high93.7Very high0 Ų058.2 Ų58.20%030%0.3CS..EExtended strand (participates in β ladder)trans-123.9151.1175.2-68.8-93.5000108.7K28 I32 W55 D119 S158 K159 I182 V183 P185 E194K28-F196 HydrophobicContact CB-CE2 4.31Å; K28-F196 HydrophobicContact CB-CZ 4.25Å; K28-F196 HydrophobicContact CD-CE2 3.69Å; K28-F196 HydrophobicContact CD-CZ 3.43Å; K28-F196 VanDerWaalsContact CD-CZ 3.43Å; K28-F196 HydrophobicContact CG-CE2 4.4Å; K28-F196 HydrophobicContact CG-CZ 4.41Å; I32-F196 HydrophobicContact CD1-CB 3.87Å; I32-F196 HydrophobicContact CD1-CD1 4.09Å; I32-F196 HydrophobicContact CD1-CD2 4.25Å; I32-F196 HydrophobicContact CD1-CG 3.77Å; W55-F196 AromaticContact CH2-CD1 3.77Å; W55-F196 HydrophobicContact CH2-CD1 3.77Å; W55-F196 AromaticContact CH2-CE1 3.45Å; W55-F196 HydrophobicContact CH2-CE1 3.45Å; W55-F196 VanDerWaalsContact CH2-CE1 3.45Å; W55-F196 HydrophobicContact CH2-CZ 4.48Å; W55-F196 HydrophobicContact CZ2-CD1 4.21Å; W55-F196 AromaticContact CZ2-CE1 3.55Å; W55-F196 HydrophobicContact CZ2-CE1 3.55Å; W55-F196 HydrophobicContact CZ2-CZ 4.17Å; D119-F196 WeakPolarHBondContact OD1-CE1 3.23Å; D119-F196 VanDerWaalsContact OD1-CZ 3.28Å; D119-F196 WeakPolarHBondContact OD1-CZ 3.47Å; S158-F196 CarbonylContact O-C 3.53Å; S158-F196 VanDerWaalsContact O-CA 3.25Å; S158-F196 WeakPolarHBondContact O-CA 3.42Å; K159-F196 HydrophobicContact CB-CD1 4.21Å; K159-F196 HydrophobicContact CB-CE1 3.76Å; K159-F196 HydrophobicContact CB-CZ 4.27Å; K159-F196 HydrophobicContact CG-CE1 4.39Å; K159-F196 HydrophobicContact CG-CZ 4.43Å; I182-F196 CarbonylContact C-O 3.58Å; I182-F196 WeakPolarHBondContact CA-O 3.39Å; V183-F196 PolarHBondContact N-O 2.64Å; V183-F196 PolarHBondContact O-N 3.23Å; P185-F196 HydrophobicContact CG-CD2 3.82Å; P185-F196 HydrophobicContact CG-CE2 4.21Å; E194-F196 HydrophobicContact CG-CE2 4.03Å; E194-F196 HydrophobicContact CG-CZ 4.36Å
197V98Very high93.5Very high1 Ų150.5 Ų50.51%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-106.5135.3166680000108.5V157 S158 I160 L173 V180 D181 I182 C199V157-V197 VanDerWaalsContact CA-O 3.31Å; V157-V197 WeakPolarHBondContact CA-O 3.25Å; S158-V197 PolarHBondContact N-O 3.19Å; S158-V197 VanDerWaalsContact N-O 3.07Å; S158-V197 PolarHBondContact O-N 2.97Å; I160-V197 HydrophobicContact CD1-CB 4.45Å; I160-V197 HydrophobicContact CG2-CB 4.12Å; I160-V197 HydrophobicContact CG2-CG1 3.88Å; L173-V197 HydrophobicContact CD1-CB 4.36Å; L173-V197 HydrophobicContact CD1-CG1 3.91Å; L173-V197 HydrophobicContact CD1-CG2 3.89Å; V180-V197 HydrophobicContact CG1-CG2 3.43Å; V180-V197 VanDerWaalsContact CG1-CG2 3.43Å; D181-V197 CarbonylContact O-C 3.55Å; D181-V197 WeakPolarHBondContact O-CA 3.3Å; I182-V197 HydrophobicContact CD1-CB 4.05Å; I182-V197 HydrophobicContact CD1-CG2 3.85Å; V197-C199 VanDerWaalsContact CG2-SG 3.58Å
198V98.6Very high93.4Very high0 Ų051.1 Ų51.10%029%0.292CS..EExtended strand (participates in β ladder)trans-115.2105.2172-179.80000107.2I32 Y36 L38 T155 V157 D181 V183 R200I32-V198 HydrophobicContact CG2-CG2 3.53Å; Y36-V198 HydrophobicContact CD1-CB 4.34Å; Y36-V198 HydrophobicContact CD1-CG1 3.7Å; Y36-V198 HydrophobicContact CD2-CG2 4.49Å; Y36-V198 HydrophobicContact CE1-CB 4.27Å; Y36-V198 HydrophobicContact CE1-CG1 4.07Å; Y36-V198 HydrophobicContact CG-CG1 4.08Å; L38-V198 HydrophobicContact CD2-CG1 4.07Å; T155-V198 HydrophobicContact CG2-CG1 4.48Å; V157-V198 HydrophobicContact CG1-CG2 4.37Å; V157-V198 HydrophobicContact CG2-CG1 4.4Å; V157-V198 HydrophobicContact CG2-CG2 4.37Å; D181-V198 PolarHBondContact N-O 2.84Å; D181-V198 PolarHBondContact O-N 3.08Å; V183-V198 HydrophobicContact CB-CG2 4.39Å; V183-V198 HydrophobicContact CG2-CB 4.36Å; V183-V198 HydrophobicContact CG2-CG2 3.7Å; V198-R200 HydrophobicContact CG1-CG 4.04Å
199C98.7Very high93.5Very high0 Ų055.3 Ų55.30%032%0.317CS..EExtended strand (participates in β ladder)trans-101.8120.1178.8-58.40000108.9T155 F156 F177 S179 V197T155-C199 CarbonylContact C-O 3.59Å; T155-C199 WeakPolarHBondContact CA-O 3.44Å; T155-C199 WeakPolarHBondContact CG2-O 3.31Å; F156-C199 HydrophobicContact CB-CB 4.16Å; F156-C199 HydrophobicContact CD1-CB 4.32Å; F156-C199 PolarHBondContact N-O 3.07Å; F156-C199 WeakPolarHBondContact O-CB 3.29Å; F156-C199 PolarHBondContact O-N 2.91Å; F177-C199 HydrophobicContact CB-CB 4Å; F177-C199 HydrophobicContact CD1-CB 3.5Å; F177-C199 VanDerWaalsContact CD1-CB 3.5Å; F177-C199 HydrophobicContact CD2-CB 3.61Å; F177-C199 HydrophobicContact CE1-CB 3.73Å; F177-C199 HydrophobicContact CE2-CB 3.86Å; F177-C199 HydrophobicContact CG-CB 3.44Å; F177-C199 VanDerWaalsContact CG-CB 3.44Å; F177-C199 HydrophobicContact CZ-CB 3.93Å; S179-C199 CarbonylContact O-C 3.58Å; S179-C199 WeakPolarHBondContact O-CA 3.39Å; V197-C199 VanDerWaalsContact CG2-SG 3.58Å
200R98.4Very high93.6Very high87 Ų8751.8 Ų51.833%0.32831%0.308SS..EExtended strand (participates in β ladder)trans-119.4158.2-178-58.3176.8-72.7136.8-1.5111.4T155 E178 S179 D181 V198T155-R200 HydrophobicContact CG2-CG 4.05Å; E178-R200 PolarHBondContact N-O 2.98Å; S179-R200 PolarHBondContact N-O 3.18Å; S179-R200 PolarHBondContact O-N 3.31Å; S179-R200 WeakPolarHBondContact OG-CB 3.34Å; S179-R200 PolarHBondContact OG-NE 3.39Å; S179-R200 PolarHBondContact OG-NH2 3.04Å; D181-R200 IonicContact OD2-NH2 3.87Å; D181-R200 PolarHBondContact OD2-NH2 3.11Å; V198-R200 HydrophobicContact CG1-CG 4.04Å
201K97.9Very high93.7Very high97 Ų9750.6 Ų50.642%0.42228%0.283SS..EExtended strand (participates in β ladder)trans57.763.2-179.5-56.1179.4176.1-178.50111.4G154 E178 S203G154-K201 PolarHBondContact O-N 2.6Å; E178-K201 HydrophobicContact CB-CB 3.81Å; E178-K201 HydrophobicContact CB-CD 3.95Å; E178-K201 HydrophobicContact CG-CD 4.28Å; E178-K201 PolarHBondContact N-O 2.84Å; E178-K201 IonicContact OE1-NZ 3.06Å; E178-K201 PolarHBondContact OE1-NZ 3.05Å; E178-K201 WeakPolarHBondContact OE2-CD 2.86Å; E178-K201 IonicContact OE2-NZ 3Å; E178-K201 PolarHBondContact OE2-NZ 2.87Å; K201-S203 PolarHBondContact O-N 3.45Å
202F98.4Very high93.6Very high2 Ų245.7 Ų45.71%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-55.2134.7173.4178.4-113.2000111.5L147 L150 A151 G153 G154 F176 F177 L204L147-F202 HydrophobicContact CD2-CE2 3.67Å; L147-F202 HydrophobicContact CD2-CZ 3.89Å; L150-F202 HydrophobicContact CB-CD1 4.16Å; L150-F202 HydrophobicContact CB-CE1 4.29Å; L150-F202 HydrophobicContact CD2-CB 3.64Å; L150-F202 HydrophobicContact CD2-CD1 4.08Å; L150-F202 HydrophobicContact CD2-CD2 3.9Å; L150-F202 HydrophobicContact CD2-CG 3.6Å; L150-F202 HydrophobicContact CG-CB 4.18Å; L150-F202 HydrophobicContact CG-CD1 4.06Å; L150-F202 HydrophobicContact CG-CG 4.07Å; L150-F202 WeakPolarHBondContact O-CE1 3.2Å; A151-F202 WeakPolarHBondContact O-CD1 3.46Å; G153-F202 PolarHBondContact N-O 2.83Å; G154-F202 WeakPolarHBondContact O-CB 3.48Å; G154-F202 PolarHBondContact O-N 3.39Å; F176-F202 HydrophobicContact CB-CD2 4.26Å; F176-F202 HydrophobicContact CB-CE2 4.05Å; F176-F202 CarbonylContact O-C 3.41Å; F176-F202 WeakPolarHBondContact O-CA 3.32Å; F176-F202 WeakPolarHBondContact O-CD2 3.26Å; F177-F202 HydrophobicContact CD1-CB 3.88Å; F177-F202 HydrophobicContact CD1-CD2 4.18Å; F177-F202 HydrophobicContact CE1-CB 3.64Å; F177-F202 AromaticContact CE1-CD2 3.69Å; F177-F202 HydrophobicContact CE1-CD2 3.69Å; F177-F202 HydrophobicContact CE1-CG 4.09Å; F177-F202 HydrophobicContact CE2-CD2 4.23Å; F177-F202 HydrophobicContact CZ-CB 4.48Å; F177-F202 AromaticContact CZ-CD2 3.69Å; F177-F202 HydrophobicContact CZ-CD2 3.69Å; F177-F202 HydrophobicContact CZ-CE2 4.45Å; F177-F202 HydrophobicContact CZ-CG 4.48Å; F202-L204 HydrophobicContact CE1-CD2 4.4Å; F202-L204 HydrophobicContact CE1-CG 4.3Å; F202-L204 HydrophobicContact CE2-CD2 4.22Å; F202-L204 HydrophobicContact CZ-CD2 3.59Å; F202-L204 HydrophobicContact CZ-CG 3.96Å
203S97.5Very high93.1Very high62 Ų6248.6 Ų48.643%0.43426%0.26SS..  trans-153.8133.1172.461.40000110F176 K201F176-S203 CarbonylContact C-O 3.59Å; F176-S203 PolarHBondContact O-N 2.98Å; K201-S203 PolarHBondContact O-N 3.45Å
204L95Very high92.4Very high53 Ų5344.8 Ų44.828%0.27725%0.246SC..PPolyproline II helixtrans-75.1133.1171.7-66.1176.6000110.2L147 F176 F202 F208 P210L147-L204 HydrophobicContact CD2-CD2 4.08Å; F176-L204 HydrophobicContact CD1-CD2 4.21Å; F176-L204 HydrophobicContact CE1-CD2 4.46Å; F202-L204 HydrophobicContact CE1-CD2 4.4Å; F202-L204 HydrophobicContact CE1-CG 4.3Å; F202-L204 HydrophobicContact CE2-CD2 4.22Å; F202-L204 HydrophobicContact CZ-CD2 3.59Å; F202-L204 HydrophobicContact CZ-CG 3.96Å; L204-F208 HydrophobicContact CD2-CD1 3.99Å; L204-F208 HydrophobicContact CD2-CE1 4.23Å; L204-P210 HydrophobicContact CD1-CG 3.71Å; L204-P210 HydrophobicContact CD2-CG 3.99Å
205P92.2Very high91.2Very high30 Ų3045.8 Ų45.820%0.19526%0.255CS..PPolyproline II helixtrans-58.8152.9173.8-27.437.3000112.7F175 F176 G207 F208F175-P205 HydrophobicContact CD1-CG 3.72Å; F175-P205 HydrophobicContact CD2-CG 4.42Å; F175-P205 HydrophobicContact CE1-CB 4.09Å; F175-P205 HydrophobicContact CE1-CG 3.43Å; F175-P205 VanDerWaalsContact CE1-CG 3.43Å; F175-P205 HydrophobicContact CE2-CB 4.46Å; F175-P205 HydrophobicContact CE2-CG 4.14Å; F175-P205 HydrophobicContact CG-CG 4.23Å; F175-P205 HydrophobicContact CZ-CB 3.88Å; F175-P205 HydrophobicContact CZ-CG 3.63Å; F175-P205 WeakPolarHBondContact O-CG 3.21Å; F176-P205 HydrophobicContact CD1-CG 4.34Å; F176-P205 HydrophobicContact CE1-CG 4.35Å; P205-G207 PolarHBondContact O-N 3.2Å; P205-F208 HydrophobicContact CB-CB 4.06Å; P205-F208 HydrophobicContact CG-CB 4.47Å; P205-F208 VanDerWaalsContact O-CB 3.28Å; P205-F208 WeakPolarHBondContact O-CB 3.12Å; P205-F208 PolarHBondContact O-N 2.92Å
206E91Very high89.8Confident191 Ų19148.5 Ų48.589%0.89327%0.269SS*.THydrogen-bonded Turntrans-59.8129.2-179.9-170.7177.4-179.200111.4F208 A231E206-F208 PolarHBondContact O-N 2.58Å; E206-A231 WeakPolarHBondContact O-CB 3.28Å
207G90.5Very high88.4Confident61 Ų6151.2 Ų51.263%0.62928%0.281SS*.THydrogen-bonded Turntrans74.5-0.1-178.200000115P205P205-G207 PolarHBondContact O-N 3.2Å
208F91.5Very high87Confident15 Ų1555.3 Ų55.37%0.06630%0.301CS..  trans-81.1126.1176.2-178.6-88.4000110.9L147 F176 L204 P205 E206 P210 I216 A231L147-F208 HydrophobicContact CD1-CE1 4.11Å; L147-F208 HydrophobicContact CD1-CZ 4.31Å; F176-F208 AromaticContact CE1-CD1 4Å; F176-F208 HydrophobicContact CE1-CD1 4Å; F176-F208 AromaticContact CE1-CE1 3.77Å; F176-F208 HydrophobicContact CE1-CE1 3.77Å; F176-F208 HydrophobicContact CE1-CE2 4.33Å; F176-F208 HydrophobicContact CE1-CG 4.39Å; F176-F208 AromaticContact CE1-CZ 3.97Å; F176-F208 HydrophobicContact CE1-CZ 3.97Å; F176-F208 HydrophobicContact CZ-CE1 4.27Å; F176-F208 HydrophobicContact CZ-CE2 4.27Å; F176-F208 HydrophobicContact CZ-CZ 4.02Å; L204-F208 HydrophobicContact CD2-CD1 3.99Å; L204-F208 HydrophobicContact CD2-CE1 4.23Å; P205-F208 HydrophobicContact CB-CB 4.06Å; P205-F208 HydrophobicContact CG-CB 4.47Å; P205-F208 VanDerWaalsContact O-CB 3.28Å; P205-F208 WeakPolarHBondContact O-CB 3.12Å; P205-F208 PolarHBondContact O-N 2.92Å; E206-F208 PolarHBondContact O-N 2.58Å; F208-P210 HydrophobicContact CD1-CG 4.41Å; F208-P210 HydrophobicContact CE1-CB 4.39Å; F208-P210 HydrophobicContact CE1-CG 4.03Å; F208-I216 HydrophobicContact CE1-CD1 4.49Å; F208-I216 HydrophobicContact CE2-CD1 4.31Å; F208-I216 HydrophobicContact CE2-CG1 4.12Å; F208-I216 HydrophobicContact CZ-CD1 3.65Å; F208-I216 HydrophobicContact CZ-CG1 3.73Å; F208-A231 HydrophobicContact CB-CB 4.07Å
209T90.9Very high85.4Confident94 Ų9460.9 Ų60.958%0.57734%0.335SS*.  trans-112.8117175.2-55.90000110.3N211 N232T209-N211 PolarHBondContact O-N 3.1Å; T209-N232 PolarHBondContact N-OD1 2.9Å; T209-N232 PolarHBondContact O-ND2 3.47Å
210P90.5Very high84Confident28 Ų2864.4 Ų64.418%0.18235%0.354CS..  trans-56.6134.2175.5-25.334.6000111.9L147 F148 L204 F208L147-P210 HydrophobicContact CB-CB 3.85Å; L147-P210 HydrophobicContact CB-CG 3.95Å; L147-P210 HydrophobicContact CD1-CB 4.47Å; F148-P210 HydrophobicContact CD1-CB 4.38Å; F148-P210 HydrophobicContact CD2-CB 4.32Å; F148-P210 HydrophobicContact CE1-CB 3.83Å; F148-P210 HydrophobicContact CE2-CB 3.74Å; F148-P210 VanDerWaalsContact CZ-C 3.44Å; F148-P210 HydrophobicContact CZ-CB 3.47Å; F148-P210 VanDerWaalsContact CZ-CB 3.47Å; F148-P210 WeakPolarHBondContact CZ-O 3.37Å; L204-P210 HydrophobicContact CD1-CG 3.71Å; L204-P210 HydrophobicContact CD2-CG 3.99Å; F208-P210 HydrophobicContact CD1-CG 4.41Å; F208-P210 HydrophobicContact CE1-CB 4.39Å; F208-P210 HydrophobicContact CE1-CG 4.03Å
211N87.4Confident82.5Confident49 Ų4968.8 Ų68.826%0.26237%0.372SS..  trans-129.9117.3172.3-172.2-16000109T209 D213 L214T209-N211 PolarHBondContact O-N 3.1Å; N211-D213 PolarHBondContact OD1-N 2.84Å; N211-L214 HydrophobicContact CB-CB 4.23Å; N211-L214 CarbonylContact O-C 3.35Å; N211-L214 VanDerWaalsContact O-O 3.12Å; N211-L214 PolarHBondContact OD1-N 3.34Å
212I83.4Confident81.5Confident10 Ų1067.3 Ų67.35%0.05137%0.368CS..SBendtrans-76.7-31.7-176.7-166.1148.4000111.6K98 A101 N144 F148 L214K98-I212 HydrophobicContact CB-CD1 4.5Å; K98-I212 HydrophobicContact CB-CG2 3.7Å; K98-I212 HydrophobicContact CD-CG2 3.93Å; K98-I212 HydrophobicContact CG-CG2 3.82Å; A101-I212 HydrophobicContact CB-CD1 3.78Å; N144-I212 PolarHBondContact ND2-O 3.01Å; F148-I212 HydrophobicContact CD2-CB 4.4Å; F148-I212 HydrophobicContact CD2-CD1 4.29Å; F148-I212 HydrophobicContact CE2-CB 3.64Å; F148-I212 HydrophobicContact CE2-CD1 4.35Å; F148-I212 HydrophobicContact CE2-CG1 4.36Å; F148-I212 HydrophobicContact CZ-CB 3.79Å; F148-I212 HydrophobicContact CZ-CG2 4.5Å; F148-I212 VanDerWaalsContact CZ-N 3.29Å; I212-L214 VanDerWaalsContact C-N 3.29Å
213D78.1Confident80.5Confident110 Ų11073.2 Ų73.259%0.58840%0.4SS*.SBendtrans-76.5-21.2-179.5-55.3-45.2000111.5N211 P215N211-D213 PolarHBondContact OD1-N 2.84Å; D213-P215 VanDerWaalsContact C-CD 3.47Å; D213-P215 WeakPolarHBondContact O-CD 3.26Å
214L74.1Confident79.6Confident21 Ų2172.5 Ų72.511%0.1140%0.395CS..SBendtrans-119.178.9173.5-71.9177.3000111N211 I212 I216 S224 V225 L228N211-L214 HydrophobicContact CB-CB 4.23Å; N211-L214 CarbonylContact O-C 3.35Å; N211-L214 VanDerWaalsContact O-O 3.12Å; N211-L214 PolarHBondContact OD1-N 3.34Å; I212-L214 VanDerWaalsContact C-N 3.29Å; L214-I216 PolarHBondContact O-N 3.28Å; L214-S224 VanDerWaalsContact CD2-OG 3.26Å; L214-S224 WeakPolarHBondContact CD2-OG 3.33Å; L214-V225 HydrophobicContact CD2-CG2 3.56Å; L214-L228 HydrophobicContact CD1-CD1 3.9Å; L214-L228 HydrophobicContact CD1-CD2 4.03Å; L214-L228 HydrophobicContact CD1-CG 4.05Å
215P68.9Low78.8Confident47 Ų4771.1 Ų71.131%0.30539%0.388SS..  trans-51.1129.6173.2-16.118.1000111D213 F217 M218D213-P215 VanDerWaalsContact C-CD 3.47Å; D213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-F217 PolarHBondContact O-N 3.26Å; P215-M218 HydrophobicContact CB-CG 3.93Å; P215-M218 VanDerWaalsContact CD-SD 3.56Å; P215-M218 HydrophobicContact CG-CG 3.85Å; P215-M218 HydrophobicContact CG-SD 4.01Å; P215-M218 WeakPolarHBondContact O-CB 3.33Å; P215-M218 PolarHBondContact O-N 3.27Å
216I67.7Low78.3Confident60 Ų6073.3 Ų73.331%0.30840%0.399SS..THydrogen-bonded Turntrans-52.4-22.8-173.4-61.7150.1000113.9L147 F176 F208 L214L147-I216 HydrophobicContact CD1-CD1 3.31Å; L147-I216 HydrophobicContact CD1-CG1 4.48Å; F176-I216 HydrophobicContact CE1-CD1 4.38Å; F176-I216 HydrophobicContact CE2-CD1 3.86Å; F176-I216 HydrophobicContact CZ-CD1 3.44Å; F176-I216 VanDerWaalsContact CZ-CD1 3.44Å; F208-I216 HydrophobicContact CE1-CD1 4.49Å; F208-I216 HydrophobicContact CE2-CD1 4.31Å; F208-I216 HydrophobicContact CE2-CG1 4.12Å; F208-I216 HydrophobicContact CZ-CD1 3.65Å; F208-I216 HydrophobicContact CZ-CG1 3.73Å; L214-I216 PolarHBondContact O-N 3.28Å
217F68.4Low77.9Confident58 Ų5871.6 Ų71.625%0.25439%0.391SS..THydrogen-bonded Turntrans-116.218.2-171.3-49.9-68.6000113.4L140 L143 Q172 F176 P215L140-F217 HydrophobicContact CB-CD2 3.99Å; L140-F217 HydrophobicContact CD1-CB 3.76Å; L140-F217 HydrophobicContact CD1-CD2 3.86Å; L140-F217 HydrophobicContact CD1-CG 3.84Å; L140-F217 HydrophobicContact CD2-CD2 3.56Å; L140-F217 HydrophobicContact CD2-CE2 3.59Å; L140-F217 HydrophobicContact CD2-CG 4.2Å; L140-F217 HydrophobicContact CD2-CZ 4.24Å; L140-F217 HydrophobicContact CG-CD2 3.98Å; L140-F217 HydrophobicContact CG-CE2 4.49Å; L140-F217 HydrophobicContact CG-CG 4.46Å; L143-F217 HydrophobicContact CD2-CE2 3.86Å; L143-F217 HydrophobicContact CD2-CZ 4.32Å; Q172-F217 HydrophobicContact CB-CE1 3.77Å; Q172-F217 HydrophobicContact CB-CZ 3.75Å; Q172-F217 HydrophobicContact CG-CD1 4.05Å; Q172-F217 HydrophobicContact CG-CE1 3.51Å; Q172-F217 HydrophobicContact CG-CZ 4.04Å; F176-F217 HydrophobicContact CE2-CZ 4.29Å; P215-F217 PolarHBondContact O-N 3.26Å
218M66.8Low77.6Confident86 Ų8671 Ų7142%0.42437%0.373SS..  trans-59.7137.9168.2-82.9-164.3106.700110.9P215 D220P215-M218 HydrophobicContact CB-CG 3.93Å; P215-M218 VanDerWaalsContact CD-SD 3.56Å; P215-M218 HydrophobicContact CG-CG 3.85Å; P215-M218 HydrophobicContact CG-SD 4.01Å; P215-M218 WeakPolarHBondContact O-CB 3.33Å; P215-M218 PolarHBondContact O-N 3.27Å; M218-D220 VanDerWaalsContact CB-OD1 3.3Å; M218-D220 WeakPolarHBondContact CB-OD1 3.5Å; M218-D220 WeakPolarHBondContact CE-OD1 3.18Å; M218-D220 WeakPolarHBondContact CE-OD2 3.47Å
219T65.9Low77.3Confident117 Ų11774.9 Ų74.972%0.71840%0.401SS*.  trans-93.2-13.8178.747.90000113.2Y221T219-Y221 WeakPolarHBondContact O-CD2 3.44Å
220D68.3Low77Confident74 Ų7473 Ų7340%0.39640%0.4SS..  trans-81.3120.5177.849.3-29.1000110.9M218 D222M218-D220 VanDerWaalsContact CB-OD1 3.3Å; M218-D220 WeakPolarHBondContact CB-OD1 3.5Å; M218-D220 WeakPolarHBondContact CE-OD1 3.18Å; M218-D220 WeakPolarHBondContact CE-OD2 3.47Å; D220-D222 PolarHBondContact O-N 2.93Å
221Y67.2Low76.8Confident180 Ų18073.4 Ų73.471%0.70641%0.406SS*.  trans-90.475.1174.7-69.2-92000109.1T219T219-Y221 WeakPolarHBondContact O-CD2 3.44Å
222D77.5Confident76.8Confident65 Ų6573 Ų7335%0.34840%0.404SS..  trans-82.3174.1171.780.910.5000112.1D220 S224 V225 N226D220-D222 PolarHBondContact O-N 2.93Å; D222-S224 VanDerWaalsContact CG-OG 3.29Å; D222-S224 PolarHBondContact O-N 3.48Å; D222-S224 WeakPolarHBondContact OD1-CA 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.5Å; D222-S224 PolarHBondContact OD1-N 3Å; D222-S224 PolarHBondContact OD1-OG 3.23Å; D222-S224 PolarHBondContact OD2-OG 3.11Å; D222-V225 PolarHBondContact O-N 3.35Å; D222-V225 WeakPolarHBondContact OD1-CG2 3.28Å; D222-V225 PolarHBondContact OD1-N 2.92Å; D222-N226 VanDerWaalsContact O-CG 3.28Å; D222-N226 PolarHBondContact O-N 3.29Å; D222-N226 PolarHBondContact O-ND2 3.12Å
223D77Confident76.8Confident126 Ų12674.8 Ų74.867%0.67441%0.41SS*.Hα-helixtrans-60.5-30.3179.5-74.2-25.5000113.1N226 Q227D223-N226 PolarHBondContact O-N 3.49Å; D223-Q227 WeakPolarHBondContact O-CG 3.41Å; D223-Q227 PolarHBondContact O-N 3.32Å
224S79Confident77.1Confident47 Ų4774.7 Ų74.733%0.32941%0.413SS..Hα-helixtrans-74-40.2-179.777.10000111.3L214 D222 N226 Q227L214-S224 VanDerWaalsContact CD2-OG 3.26Å; L214-S224 WeakPolarHBondContact CD2-OG 3.33Å; D222-S224 VanDerWaalsContact CG-OG 3.29Å; D222-S224 PolarHBondContact O-N 3.48Å; D222-S224 WeakPolarHBondContact OD1-CA 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.5Å; D222-S224 PolarHBondContact OD1-N 3Å; D222-S224 PolarHBondContact OD1-OG 3.23Å; D222-S224 PolarHBondContact OD2-OG 3.11Å; S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 2.97Å; S224-Q227 PolarHBondContact O-N 3.35Å
225V79Confident77.5Confident24 Ų2479.6 Ų79.615%0.14544%0.438CS..Hα-helixtrans-63.6-37.6170.8-171.40000109.5L214 D222 Q227 L228 R233L214-V225 HydrophobicContact CD2-CG2 3.56Å; D222-V225 PolarHBondContact O-N 3.35Å; D222-V225 WeakPolarHBondContact OD1-CG2 3.28Å; D222-V225 PolarHBondContact OD1-N 2.92Å; V225-Q227 PolarHBondContact O-N 3Å; V225-L228 HydrophobicContact CG1-CD1 4.44Å; V225-L228 WeakPolarHBondContact O-CB 3.44Å; V225-L228 PolarHBondContact O-N 3.09Å; V225-R233 WeakPolarHBondContact O-CD 3.48Å; V225-R233 PolarHBondContact O-NH1 3.47Å
226N80.6Confident78.3Confident76 Ų7683.8 Ų83.841%0.40646%0.456SS..Hα-helixtrans-64.7-21.7179.5-71.2-28.5000114.3D222 D223 S224 R233D222-N226 VanDerWaalsContact O-CG 3.28Å; D222-N226 PolarHBondContact O-N 3.29Å; D222-N226 PolarHBondContact O-ND2 3.12Å; D223-N226 PolarHBondContact O-N 3.49Å; S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 2.97Å; N226-R233 PolarHBondContact OD1-NH1 3.16Å; N226-R233 PolarHBondContact OD1-NH2 2.66Å
227Q83Confident79.3Confident156 Ų15686 Ų8673%0.72948%0.475SS*.THydrogen-bonded Turntrans-84.3-13177-69.4172.225.900113.7D223 S224 V225D223-Q227 WeakPolarHBondContact O-CG 3.41Å; D223-Q227 PolarHBondContact O-N 3.32Å; S224-Q227 PolarHBondContact O-N 3.35Å; V225-Q227 PolarHBondContact O-N 3Å
228L84.1Confident80.2Confident47 Ų4792.3 Ų92.325%0.24650%0.502CS..  trans-67.3146.2177.8-63.2179.3000111.6L214 V225 N232 R233L214-L228 HydrophobicContact CD1-CD1 3.9Å; L214-L228 HydrophobicContact CD1-CD2 4.03Å; L214-L228 HydrophobicContact CD1-CG 4.05Å; V225-L228 HydrophobicContact CG1-CD1 4.44Å; V225-L228 WeakPolarHBondContact O-CB 3.44Å; V225-L228 PolarHBondContact O-N 3.09Å; L228-N232 HydrophobicContact CB-CB 4.41Å; L228-N232 HydrophobicContact CD2-CB 4.5Å; L228-R233 HydrophobicContact CB-CB 3.51Å; L228-R233 HydrophobicContact CB-CG 4.43Å
229C84.8Confident81.3Confident98 Ų9893.2 Ų93.266%0.66251%0.512SS*.  trans-140.9165.3-178.258.80000112.6N232C229-N232 PolarHBondContact O-N 2.59Å
230G85.9Confident82.1Confident54 Ų5492.9 Ų92.956%0.55751%0.514SS*.G310 helixtrans66.7-136.1175.400000112.7N232 R233G230-N232 PolarHBondContact O-N 3.43Å; G230-R233 CarbonylContact O-C 3.53Å; G230-R233 PolarHBondContact O-N 2.96Å; G230-R233 VanDerWaalsContact O-O 3.07Å
231A86.1Confident83Confident37 Ų3795.2 Ų95.231%0.30654%0.535SS..G310 helixtrans-64.6-22.6-179.400000113.3E206 F208E206-A231 WeakPolarHBondContact O-CB 3.28Å; F208-A231 HydrophobicContact CB-CB 4.07Å
232N86.8Confident83.8Confident40 Ų4090.4 Ų90.421%0.21454%0.539CS..G310 helixtrans-76.2-24.4178.4-79.683000113.8T209 L228 C229 G230T209-N232 PolarHBondContact N-OD1 2.9Å; T209-N232 PolarHBondContact O-ND2 3.47Å; L228-N232 HydrophobicContact CB-CB 4.41Å; L228-N232 HydrophobicContact CD2-CB 4.5Å; C229-N232 PolarHBondContact O-N 2.59Å; G230-N232 PolarHBondContact O-N 3.43Å
233R84.4Confident84.1Confident47 Ų4792.9 Ų92.918%0.17755%0.553CS.*  trans-155.6117.6175.3176.3170.6172.8153.3-5.7111.2V225 N226 L228 G230 I235V225-R233 WeakPolarHBondContact O-CD 3.48Å; V225-R233 PolarHBondContact O-NH1 3.47Å; N226-R233 PolarHBondContact OD1-NH1 3.16Å; N226-R233 PolarHBondContact OD1-NH2 2.66Å; L228-R233 HydrophobicContact CB-CB 3.51Å; L228-R233 HydrophobicContact CB-CG 4.43Å; G230-R233 CarbonylContact O-C 3.53Å; G230-R233 PolarHBondContact O-N 2.96Å; G230-R233 VanDerWaalsContact O-O 3.07Å; R233-I235 HydrophobicContact CG-CG1 4.46Å
234V83.6Confident84.2Confident109 Ų10995.8 Ų95.866%0.66157%0.567SS**  trans-108.6115.9173-178.10000108.6I236V234-I236 HydrophobicContact CG1-CD1 4.21Å; V234-I236 PolarHBondContact O-N 2.82Å
235I82.5Confident84.6Confident124 Ų12498.5 Ų98.564%0.63659%0.586SS**  trans-82.7114.5174.3-59.4176.5000108R233R233-I235 HydrophobicContact CG-CG1 4.46Å
236I86Confident84.7Confident134 Ų13499.7 Ų99.769%0.68760%0.603SS**  trans-75.9125.4169.2-54.3-56.5000107.9V234 F238V234-I236 HydrophobicContact CG1-CD1 4.21Å; V234-I236 PolarHBondContact O-N 2.82Å; I236-F238 PolarHBondContact O-N 3.4Å
237P89Confident84.9Confident107 Ų107104.3 Ų104.370%0.69562%0.62SS**  trans-58.9121.8178.2-23.633.4000111.3V239P237-V239 HydrophobicContact CB-CG2 4.14Å
238F86.8Confident85Confident190 Ų190100.4 Ų100.483%0.83360%0.604SS**  trans-93.9106.8166.5-176.1-93.9000108.2I236I236-F238 PolarHBondContact O-N 3.4Å
239V89.3Confident85.1Confident105 Ų105103.7 Ų103.764%0.63663%0.631SS**  trans-108.5116.8-175.8-176.50000108.9P237 C241P237-V239 HydrophobicContact CB-CG2 4.14Å; V239-C241 PolarHBondContact O-N 3.39Å
240C83.6Confident85.2Confident110 Ų110105.9 Ų105.974%0.74364%0.636SS**  trans-68.8128.7168.9-63.50000109.4
241C86.4Confident85.3Confident124 Ų124111 Ų11184%0.83864%0.639SS**  trans-107.4131179.9-65.80000110.2V239V239-C241 PolarHBondContact O-N 3.39Å
242G85.1Confident85.4Confident78 Ų78115 Ų11580%0.80467%0.665SS**SBendtrans130.3155.6-17500000111.1
243D82.7Confident85.4Confident117 Ų117117.5 Ų117.563%0.62667%0.672SS**  trans-92.7172169.767.620.3000111S245 G246D243-S245 PolarHBondContact O-N 3.28Å; D243-S245 WeakPolarHBondContact OD1-CA 3.4Å; D243-S245 VanDerWaalsContact OD1-CB 3.28Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 2.9Å; D243-S245 PolarHBondContact OD1-OG 3.16Å; D243-S245 PolarHBondContact OD2-OG 3.04Å; D243-S245 VanDerWaalsContact OD2-OG 3.09Å; D243-G246 PolarHBondContact OD1-N 3.36Å
244L80.2Confident85.3Confident188 Ų188122.9 Ų122.998%0.98470%0.704SS**THydrogen-bonded Turntrans-73.40.7176.9-62.2179000113.4
245S86.3Confident85.1Confident103 Ų103124 Ų12472%0.7271%0.706SS**THydrogen-bonded Turntrans-87.3-12.7-178.9820000113D243D243-S245 PolarHBondContact O-N 3.28Å; D243-S245 WeakPolarHBondContact OD1-CA 3.4Å; D243-S245 VanDerWaalsContact OD1-CB 3.28Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 2.9Å; D243-S245 PolarHBondContact OD1-OG 3.16Å; D243-S245 PolarHBondContact OD2-OG 3.04Å; D243-S245 VanDerWaalsContact OD2-OG 3.09Å
246G81.8Confident84.7Confident49 Ų49125.8 Ų125.851%0.50571%0.711SS.*SBendtrans-81.2175.8179.800000115D243D243-G246 PolarHBondContact OD1-N 3.36Å
247F84.5Confident83.9Confident174 Ų174129.2 Ų129.276%0.76372%0.721SS**  trans-78.1127.1172-61.7-77000110.6Y253F247-Y253 HydrophobicContact CB-CE2 3.88Å; F247-Y253 AromaticContact CD1-CD1 3.88Å; F247-Y253 HydrophobicContact CD1-CD1 3.88Å; F247-Y253 AromaticContact CD1-CD2 3.62Å; F247-Y253 HydrophobicContact CD1-CD2 3.62Å; F247-Y253 AromaticContact CD1-CE1 3.9Å; F247-Y253 HydrophobicContact CD1-CE1 3.9Å; F247-Y253 AromaticContact CD1-CE2 3.66Å; F247-Y253 HydrophobicContact CD1-CE2 3.66Å; F247-Y253 AromaticContact CD1-CG 3.75Å; F247-Y253 HydrophobicContact CD1-CG 3.75Å; F247-Y253 AromaticContact CD1-CZ 3.81Å; F247-Y253 HydrophobicContact CE1-CD1 4.19Å; F247-Y253 HydrophobicContact CE1-CD2 4.32Å; F247-Y253 HydrophobicContact CE1-CG 4.07Å; F247-Y253 HydrophobicContact CG-CD2 4.46Å; F247-Y253 HydrophobicContact CG-CE2 4.25Å
248D84.9Confident82.6Confident73 Ų73131.5 Ų131.539%0.3973%0.727SS.*  trans-68.5122.1163.3179.7-2.9000110.3N250 R251 Y253D248-N250 PolarHBondContact O-N 3.21Å; D248-N250 WeakPolarHBondContact OD1-CB 3.25Å; D248-N250 PolarHBondContact OD1-N 3.09Å; D248-R251 HydrophobicContact CB-CB 4.29Å; D248-R251 HydrophobicContact CB-CG 4.22Å; D248-R251 PolarHBondContact O-N 3.03Å; D248-R251 VanDerWaalsContact O-N 3.13Å; D248-Y253 WeakPolarHBondContact CA-OH 3.19Å; D248-Y253 VanDerWaalsContact CB-OH 3.25Å; D248-Y253 WeakPolarHBondContact CB-OH 3.43Å; D248-Y253 PolarHBondContact N-OH 2.87Å; D248-Y253 WeakPolarHBondContact O-CE2 3.42Å; D248-Y253 PolarHBondContact O-OH 3.34Å
249S85.7Confident81.3Confident116 Ų116124.8 Ų124.881%0.81170%0.704SS**THydrogen-bonded Turntrans-64.3-18.5179.356.50000114.2
250N88.2Confident79.8Confident145 Ų145125.2 Ų125.278%0.77571%0.712SS**THydrogen-bonded Turntrans-90.9-2.7178.5-59.3-44000112.8D248D248-N250 PolarHBondContact O-N 3.21Å; D248-N250 WeakPolarHBondContact OD1-CB 3.25Å; D248-N250 PolarHBondContact OD1-N 3.09Å
251R88.1Confident78.6Confident161 Ų161126.3 Ų126.361%0.60871%0.71SS**SBendtrans-111.8144.8178.9-70.3-178.266.5-173-0.2111.4D248 Y253D248-R251 HydrophobicContact CB-CB 4.29Å; D248-R251 HydrophobicContact CB-CG 4.22Å; D248-R251 PolarHBondContact O-N 3.03Å; D248-R251 VanDerWaalsContact O-N 3.13Å; R251-Y253 HydrophobicContact CB-CE2 3.94Å; R251-Y253 WeakPolarHBondContact O-CD2 3.41Å; R251-Y253 VanDerWaalsContact O-CE2 3.24Å; R251-Y253 WeakPolarHBondContact O-CE2 3.24Å
252S88.1Confident77.3Confident122 Ų122123.1 Ų123.185%0.85369%0.689SS**  trans-89.8142.4165.1-60.30000109.5
253Y85.3Confident76.6Confident92 Ų92125.7 Ų125.736%0.36168%0.684SS.*  trans-119.3141.1-179.9-60.8-90.8000109.9F247 D248 R251 L255F247-Y253 HydrophobicContact CB-CE2 3.88Å; F247-Y253 AromaticContact CD1-CD1 3.88Å; F247-Y253 HydrophobicContact CD1-CD1 3.88Å; F247-Y253 AromaticContact CD1-CD2 3.62Å; F247-Y253 HydrophobicContact CD1-CD2 3.62Å; F247-Y253 AromaticContact CD1-CE1 3.9Å; F247-Y253 HydrophobicContact CD1-CE1 3.9Å; F247-Y253 AromaticContact CD1-CE2 3.66Å; F247-Y253 HydrophobicContact CD1-CE2 3.66Å; F247-Y253 AromaticContact CD1-CG 3.75Å; F247-Y253 HydrophobicContact CD1-CG 3.75Å; F247-Y253 AromaticContact CD1-CZ 3.81Å; F247-Y253 HydrophobicContact CE1-CD1 4.19Å; F247-Y253 HydrophobicContact CE1-CD2 4.32Å; F247-Y253 HydrophobicContact CE1-CG 4.07Å; F247-Y253 HydrophobicContact CG-CD2 4.46Å; F247-Y253 HydrophobicContact CG-CE2 4.25Å; D248-Y253 WeakPolarHBondContact CA-OH 3.19Å; D248-Y253 VanDerWaalsContact CB-OH 3.25Å; D248-Y253 WeakPolarHBondContact CB-OH 3.43Å; D248-Y253 PolarHBondContact N-OH 2.87Å; D248-Y253 WeakPolarHBondContact O-CE2 3.42Å; D248-Y253 PolarHBondContact O-OH 3.34Å; R251-Y253 HydrophobicContact CB-CE2 3.94Å; R251-Y253 WeakPolarHBondContact O-CD2 3.41Å; R251-Y253 VanDerWaalsContact O-CE2 3.24Å; R251-Y253 WeakPolarHBondContact O-CE2 3.24Å; Y253-L255 PolarHBondContact O-N 3.24Å
254D83.7Confident76.1Confident160 Ų160125.6 Ų125.686%0.85669%0.693SS**PPolyproline II helixtrans-63.1136.4172.8-67.8-25.7000109.7
255L77.8Confident76.1Confident132 Ų132123.8 Ų123.869%0.69168%0.684SS**PPolyproline II helixtrans-63.2138.9170.1-69.4168.3000109.2Y253 K257Y253-L255 PolarHBondContact O-N 3.24Å; L255-K257 PolarHBondContact O-N 3.13Å
256E76.1Confident75.9Confident162 Ų162128 Ų12876%0.75769%0.689SS**PPolyproline II helixtrans-56.1127.1178.8-69-165.5168.300110.9N258 S259E256-N258 PolarHBondContact O-N 3.22Å; E256-S259 WeakPolarHBondContact O-CB 3.47Å; E256-S259 PolarHBondContact O-N 2.76Å
257K68.3Low75.8Confident206 Ų206130.4 Ų130.490%0.89670%0.696SS**THydrogen-bonded Turntrans-57.2-20.8-172.4-66.8-179.7179.9177.80114.7L255L255-K257 PolarHBondContact O-N 3.13Å
258N62.6Low75.9Confident154 Ų154129.4 Ų129.482%0.82470%0.704SS**THydrogen-bonded Turntrans-94.81178.4-69.3-20.6000113.6E256 S260E256-N258 PolarHBondContact O-N 3.22Å; N258-S260 PolarHBondContact O-N 3.02Å
259S58.1Low76.2Confident49 Ų49132.8 Ų132.834%0.34372%0.717SS.*  trans-84.860.2174.7-1690000110.8E256 N261 S262E256-S259 WeakPolarHBondContact O-CB 3.47Å; E256-S259 PolarHBondContact O-N 2.76Å; S259-N261 PolarHBondContact O-N 3.14Å; S259-S262 PolarHBondContact O-N 2.99Å; S259-S262 PolarHBondContact O-OG 3.27Å; S259-S262 WeakPolarHBondContact OG-CA 3.5Å; S259-S262 VanDerWaalsContact OG-CB 3.22Å; S259-S262 WeakPolarHBondContact OG-CB 3.49Å; S259-S262 PolarHBondContact OG-N 3.46Å; S259-S262 VanDerWaalsContact OG-N 3.12Å
260S57.6Low76.3Confident114 Ų114130.1 Ų130.180%0.79770%0.702SS**THydrogen-bonded Turntrans-59.2-8.7168.158.80000113N258N258-S260 PolarHBondContact O-N 3.02Å
261N59.3Low76.3Confident134 Ų134127 Ų12772%0.71769%0.69SS**THydrogen-bonded Turntrans-11526.8174.1-84.6-3.6000113.2S259 N263S259-N261 PolarHBondContact O-N 3.14Å; N261-N263 PolarHBondContact O-N 3.24Å
262S59.5Low76.4Confident56 Ų56124.7 Ų124.739%0.39269%0.693SS.*  trans-71.660.917061.50000110.6S259 S264S259-S262 PolarHBondContact O-N 2.99Å; S259-S262 PolarHBondContact O-OG 3.27Å; S259-S262 WeakPolarHBondContact OG-CA 3.5Å; S259-S262 VanDerWaalsContact OG-CB 3.22Å; S259-S262 WeakPolarHBondContact OG-CB 3.49Å; S259-S262 PolarHBondContact OG-N 3.46Å; S259-S262 VanDerWaalsContact OG-N 3.12Å; S262-S264 PolarHBondContact O-N 2.88Å
263N69.7Low76.6Confident132 Ų132125.7 Ų125.771%0.70668%0.684SS**  trans-64.8105.6162-73-19.5000105.5N261 L265N261-N263 PolarHBondContact O-N 3.24Å; N263-L265 PolarHBondContact O-N 3.07Å
264S72.8Confident76.8Confident116 Ų116122.3 Ų122.381%0.81167%0.673SS**  trans-49.3114.2167.2177.50000107S262S262-S264 PolarHBondContact O-N 2.88Å
265L80.4Confident77Confident149 Ų149121 Ų12178%0.7867%0.674SS**PPolyproline II helixtrans-65.5145175-64.9176.7000107.9N263N263-L265 PolarHBondContact O-N 3.07Å
266F81.8Confident77.6Confident192 Ų192121.3 Ų121.384%0.84267%0.667SS**PPolyproline II helixtrans-60148.1164.1-68.4-77.2000108.7V268F266-V268 PolarHBondContact O-N 3.07Å; F266-V268 VanDerWaalsContact O-N 3.14Å
267P80.4Confident78.3Confident100 Ų100118 Ų11865%0.64965%0.651SS**PPolyproline II helixtrans-47.9126.4170.2-26.233.7000109.5Q269P267-Q269 PolarHBondContact O-N 3.44Å
268V86.5Confident79.4Confident152 Ų152114.2 Ų114.292%0.92164%0.637SS**SBendtrans-49.7-36.4-1741780000111.4F266F266-V268 PolarHBondContact O-N 3.07Å; F266-V268 VanDerWaalsContact O-N 3.14Å
269Q90.2Very high80.6Confident145 Ų145109 Ų10968%0.67862%0.615SS**SBendtrans-141.1121.1171.5-179.459.650.600109.1P267P267-Q269 PolarHBondContact O-N 3.44Å
270A86.9Confident82.1Confident59 Ų59109.3 Ų109.349%0.48862%0.615SS.*  trans-69.9150.1170.300000110.4V272A270-V272 PolarHBondContact O-N 3.19Å
271P88.8Confident83.8Confident81 Ų81110.3 Ų110.353%0.52660%0.604SS.*  trans-52.3128170.4-23.832.9000110.1H273 P274P271-H273 VanDerWaalsContact C-N 3.29Å; P271-H273 PolarHBondContact O-N 2.93Å; P271-P274 HydrophobicContact CB-CB 4.02Å
272V91.2Very high85.4Confident111 Ų111106 Ų10667%0.67358%0.581SS**SBendtrans-65.1-38.4-178.9-178.40000110.8A270A270-V272 PolarHBondContact O-N 3.19Å
273H90.9Very high86.8Confident143 Ų143110.5 Ų110.566%0.66259%0.594SS**SBendtrans-133.684.4173.5-66.3-59.2000109.5P271 E277P271-H273 VanDerWaalsContact C-N 3.29Å; P271-H273 PolarHBondContact O-N 2.93Å; H273-E277 IonicContact CG-OE2 3.5Å; H273-E277 IonicContact ND1-OE2 3.75Å; H273-E277 PolarHBondContact ND1-OE2 2.94Å; H273-E277 VanDerWaalsContact ND1-OE2 3.09Å
274P90.2Very high87.8Confident21 Ų21114 Ų11414%0.13660%0.597CS.*  trans-65145.3178.621.5-25.5000110.6P271 Y276 E277P271-P274 HydrophobicContact CB-CB 4.02Å; P274-Y276 HydrophobicContact CB-CD1 3.82Å; P274-Y276 HydrophobicContact CB-CD2 3.98Å; P274-Y276 HydrophobicContact CB-CE1 3.39Å; P274-Y276 HydrophobicContact CB-CE2 3.57Å; P274-Y276 HydrophobicContact CB-CG 4.09Å; P274-Y276 HydrophobicContact CG-CD2 4.09Å; P274-Y276 HydrophobicContact CG-CE1 4.33Å; P274-Y276 HydrophobicContact CG-CE2 3.58Å; P274-Y276 PolarHBondContact O-N 3.5Å; P274-E277 HydrophobicContact CG-CB 4.02Å; P274-E277 WeakPolarHBondContact O-CB 3.4Å; P274-E277 PolarHBondContact O-N 3.41Å
275P88.7Confident88.8Confident132 Ų132112.8 Ų112.886%0.85758%0.581SS**THydrogen-bonded Turntrans-54.7-28.5178.3-26.534000113.9
276Y89.2Confident89.1Confident139 Ų139111.3 Ų111.355%0.54557%0.574SS.*THydrogen-bonded Turntrans-83.7-4.5178.456.3-100.9000114.4P274 H278 A279 V280P274-Y276 HydrophobicContact CB-CD1 3.82Å; P274-Y276 HydrophobicContact CB-CD2 3.98Å; P274-Y276 HydrophobicContact CB-CE1 3.39Å; P274-Y276 HydrophobicContact CB-CE2 3.57Å; P274-Y276 HydrophobicContact CB-CG 4.09Å; P274-Y276 HydrophobicContact CG-CD2 4.09Å; P274-Y276 HydrophobicContact CG-CE1 4.33Å; P274-Y276 HydrophobicContact CG-CE2 3.58Å; P274-Y276 PolarHBondContact O-N 3.5Å; Y276-H278 VanDerWaalsContact C-N 3.29Å; Y276-H278 PolarHBondContact O-N 2.9Å; Y276-A279 PolarHBondContact O-N 3.25Å; Y276-A279 VanDerWaalsContact O-N 3.13Å; Y276-V280 HydrophobicContact CD2-CG2 3.95Å; Y276-V280 WeakPolarHBondContact O-CG2 3.37Å; Y276-V280 PolarHBondContact O-N 3.13Å
277E92.2Very high89.3Confident93 Ų93109.2 Ų109.244%0.43557%0.565SS.*Hα-helixtrans-53.4-46.5-177.5-171.4-176.4168.100111.6H273 P274 V280 K281H273-E277 IonicContact CG-OE2 3.5Å; H273-E277 IonicContact ND1-OE2 3.75Å; H273-E277 PolarHBondContact ND1-OE2 2.94Å; H273-E277 VanDerWaalsContact ND1-OE2 3.09Å; P274-E277 HydrophobicContact CG-CB 4.02Å; P274-E277 WeakPolarHBondContact O-CB 3.4Å; P274-E277 PolarHBondContact O-N 3.41Å; E277-V280 PolarHBondContact O-N 3.34Å; E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 PolarHBondContact O-N 3.18Å
278H89.9Confident89.3Confident127 Ų127108.1 Ų108.159%0.58855%0.553SS**Hα-helixtrans-65.3-43.2179.3-175.8-111.8000112.2Y276 V280 K281 L282Y276-H278 VanDerWaalsContact C-N 3.29Å; Y276-H278 PolarHBondContact O-N 2.9Å; H278-V280 PolarHBondContact O-N 2.9Å; H278-K281 WeakPolarHBondContact O-CB 3.42Å; H278-K281 PolarHBondContact O-N 3.17Å; H278-L282 VanDerWaalsContact CE1-CD1 3.47Å; H278-L282 WeakPolarHBondContact CE1-CD1 3.39Å; H278-L282 WeakPolarHBondContact O-CG 3.37Å; H278-L282 PolarHBondContact O-N 3.03Å
279A89.1Confident88.9Confident45 Ų45105.8 Ų105.837%0.37255%0.55SS..Hα-helixtrans-63.2-42.1177.400000111.5Y276 K281 L282 K283Y276-A279 PolarHBondContact O-N 3.25Å; Y276-A279 VanDerWaalsContact O-N 3.13Å; A279-K281 PolarHBondContact O-N 3.3Å; A279-L282 PolarHBondContact O-N 3.34Å; A279-K283 WeakPolarHBondContact O-CB 3.5Å; A279-K283 PolarHBondContact O-N 3.5Å
280V89.9Confident88Confident55 Ų55108.6 Ų108.633%0.33355%0.554SS.*Hα-helixtrans-63.5-41174.9173.10000111.1Y276 E277 H278 K283 R284Y276-V280 HydrophobicContact CD2-CG2 3.95Å; Y276-V280 WeakPolarHBondContact O-CG2 3.37Å; Y276-V280 PolarHBondContact O-N 3.13Å; E277-V280 PolarHBondContact O-N 3.34Å; H278-V280 PolarHBondContact O-N 2.9Å; V280-K283 PolarHBondContact O-N 2.86Å; V280-R284 HydrophobicContact CG1-CG 4.36Å; V280-R284 WeakPolarHBondContact O-CB 3.37Å; V280-R284 WeakPolarHBondContact O-CG 3.39Å; V280-R284 PolarHBondContact O-N 3.26Å
281K93.2Very high86.8Confident134 Ų134109.1 Ų109.158%0.58357%0.565SS**Hα-helixtrans-62.9-44.2175.2-172.9177.5-177.7175.30112E277 H278 A279 N285E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 PolarHBondContact O-N 3.18Å; H278-K281 WeakPolarHBondContact O-CB 3.42Å; H278-K281 PolarHBondContact O-N 3.17Å; A279-K281 PolarHBondContact O-N 3.3Å; K281-N285 WeakPolarHBondContact O-CB 3.22Å; K281-N285 PolarHBondContact O-N 3.22Å; K281-N285 PolarHBondContact O-OD1 3.41Å; K281-N285 VanDerWaalsContact O-OD1 3.12Å
282L91.8Very high85.1Confident44 Ų44116.7 Ų116.723%0.2358%0.583CS.*Hα-helixtrans-63.9-41.6174.7-69.4176.7000111.5H278 A279 N285 N286 K287 L288H278-L282 VanDerWaalsContact CE1-CD1 3.47Å; H278-L282 WeakPolarHBondContact CE1-CD1 3.39Å; H278-L282 WeakPolarHBondContact O-CG 3.37Å; H278-L282 PolarHBondContact O-N 3.03Å; A279-L282 PolarHBondContact O-N 3.34Å; L282-N285 CarbonylContact O-C 3.55Å; L282-N285 PolarHBondContact O-N 3.21Å; L282-N286 PolarHBondContact O-N 3.42Å; L282-N286 VanDerWaalsContact O-N 3.13Å; L282-K287 HydrophobicContact CB-CB 4.35Å; L282-K287 HydrophobicContact CD2-CB 3.64Å; L282-K287 HydrophobicContact CD2-CD 4.21Å; L282-K287 PolarHBondContact O-N 3.48Å; L282-L288 HydrophobicContact CB-CD2 3.64Å; L282-L288 HydrophobicContact CB-CG 3.67Å; L282-L288 HydrophobicContact CD1-CD2 3.83Å; L282-L288 HydrophobicContact CG-CD2 4.42Å; L282-L288 PolarHBondContact O-N 3.04Å
283K89.1Confident83.2Confident151 Ų151115.1 Ų115.166%0.65758%0.582SS**Hα-helixtrans-61.6-50.9176.8-167.8174.5179.11780111.2A279 V280 N285 N286 L288A279-K283 WeakPolarHBondContact O-CB 3.5Å; A279-K283 PolarHBondContact O-N 3.5Å; V280-K283 PolarHBondContact O-N 2.86Å; K283-N285 PolarHBondContact O-N 2.89Å; K283-N286 PolarHBondContact O-N 3.45Å; K283-L288 HydrophobicContact CB-CD1 3.58Å; K283-L288 HydrophobicContact CB-CG 4.41Å; K283-L288 HydrophobicContact CG-CD1 4.1Å
284R91.3Very high81.3Confident205 Ų205112.3 Ų112.377%0.77458%0.575SS**Hα-helixtrans-57.2-36.2176.4-77.4-180178.9174.80.8112.2V280 N286V280-R284 HydrophobicContact CG1-CG 4.36Å; V280-R284 WeakPolarHBondContact O-CB 3.37Å; V280-R284 WeakPolarHBondContact O-CG 3.39Å; V280-R284 PolarHBondContact O-N 3.26Å; R284-N286 VanDerWaalsContact C-N 3.33Å
285N92.3Very high79.5Confident90 Ų90115.4 Ų115.448%0.48159%0.593SS.*THydrogen-bonded Turntrans-89.38.6179.8-68.637000113.6K281 L282 K283 K287K281-N285 WeakPolarHBondContact O-CB 3.22Å; K281-N285 PolarHBondContact O-N 3.22Å; K281-N285 PolarHBondContact O-OD1 3.41Å; K281-N285 VanDerWaalsContact O-OD1 3.12Å; L282-N285 CarbonylContact O-C 3.55Å; L282-N285 PolarHBondContact O-N 3.21Å; K283-N285 PolarHBondContact O-N 2.89Å; N285-K287 HydrophobicContact CB-CD 4.23Å; N285-K287 HydrophobicContact CB-CG 4.03Å; N285-K287 PolarHBondContact O-N 2.97Å; N285-K287 VanDerWaalsContact O-N 3.13Å
286N86.8Confident77.8Confident118 Ų118117.6 Ų117.663%0.63159%0.592SS**THydrogen-bonded Turntrans51.631.7-174.4-75.2-52.3000113.8L282 K283 R284 R290L282-N286 PolarHBondContact O-N 3.42Å; L282-N286 VanDerWaalsContact O-N 3.13Å; K283-N286 PolarHBondContact O-N 3.45Å; R284-N286 VanDerWaalsContact C-N 3.33Å; N286-R290 PolarHBondContact OD1-NH2 3.5Å
287K87.6Confident76.1Confident148 Ų148117.5 Ų117.564%0.64360%0.596SS**  trans-99.3-5.4179.3-68-173.1178.1-174.30113.8L282 N285L282-K287 HydrophobicContact CB-CB 4.35Å; L282-K287 HydrophobicContact CD2-CB 3.64Å; L282-K287 HydrophobicContact CD2-CD 4.21Å; L282-K287 PolarHBondContact O-N 3.48Å; N285-K287 HydrophobicContact CB-CD 4.23Å; N285-K287 HydrophobicContact CB-CG 4.03Å; N285-K287 PolarHBondContact O-N 2.97Å; N285-K287 VanDerWaalsContact O-N 3.13Å
288L79.5Confident74.1Confident78 Ų78117.1 Ų117.141%0.40860%0.6SS.*SBendtrans-70.3136.2168.3-71.9177.2000108.8L282 K283 R290L282-L288 HydrophobicContact CB-CD2 3.64Å; L282-L288 HydrophobicContact CB-CG 3.67Å; L282-L288 HydrophobicContact CD1-CD2 3.83Å; L282-L288 HydrophobicContact CG-CD2 4.42Å; L282-L288 PolarHBondContact O-N 3.04Å; K283-L288 HydrophobicContact CB-CD1 3.58Å; K283-L288 HydrophobicContact CB-CG 4.41Å; K283-L288 HydrophobicContact CG-CD1 4.1Å; L288-R290 PolarHBondContact O-N 3.21Å; L288-R290 VanDerWaalsContact O-N 3.09Å
289A77.8Confident72.7Confident102 Ų102115.3 Ų115.384%0.84360%0.598SS**PPolyproline II helixtrans-56.5118.6169.500000108.2G291A289-G291 PolarHBondContact O-N 2.86Å
290R72.1Confident71.3Confident205 Ų205117 Ų11777%0.77461%0.607SS**PPolyproline II helixtrans-71.9121.3164.9-65.1-176-177.7-169.9-1.2105.1N286 L288 R292N286-R290 PolarHBondContact OD1-NH2 3.5Å; L288-R290 PolarHBondContact O-N 3.21Å; L288-R290 VanDerWaalsContact O-N 3.09Å; R290-R292 PolarHBondContact O-N 3.03Å
291G61.3Low69.7Low70 Ų70117.9 Ų117.972%0.72262%0.615SS**PPolyproline II helixtrans-51.5120162.200000106.2A289 A293A289-G291 PolarHBondContact O-N 2.86Å; G291-A293 PolarHBondContact O-N 3.12Å
292R53.6Low68Low240 Ų240116.6 Ų116.691%0.90662%0.615SS**  trans-61.798.8160.7-126.1-179.4178.6174.9-2.5102.1R290 V294R290-R292 PolarHBondContact O-N 3.03Å; R292-V294 VanDerWaalsContact C-N 3.3Å; R292-V294 PolarHBondContact O-N 3.33Å
293A51.5Low66.2Low78 Ų78117.8 Ų117.865%0.64564%0.637SS**  trans-59.5108174.900000104G291 V295G291-A293 PolarHBondContact O-N 3.12Å; A293-V295 HydrophobicContact CB-CG2 3.41Å; A293-V295 VanDerWaalsContact CB-CG2 3.41Å; A293-V295 PolarHBondContact O-N 2.74Å
294V49.8Very low64.5Low83 Ų83115.1 Ų115.150%0.50364%0.638SS.*  trans-73.362.5170.2-174.40000105.3R292 E296 E297R292-V294 VanDerWaalsContact C-N 3.3Å; R292-V294 PolarHBondContact O-N 3.33Å; V294-E296 VanDerWaalsContact C-N 3.31Å; V294-E297 HydrophobicContact CG1-CB 3.26Å; V294-E297 HydrophobicContact CG1-CG 4.33Å; V294-E297 WeakPolarHBondContact CG1-OE2 3.35Å
295V53.6Low62.3Low86 Ų86110.7 Ų110.752%0.52163%0.628SS.*Hα-helixtrans-72-36.8177.2-173.30000108.1A293 E297 V298 V299A293-V295 HydrophobicContact CB-CG2 3.41Å; A293-V295 VanDerWaalsContact CB-CG2 3.41Å; A293-V295 PolarHBondContact O-N 2.74Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 3Å; V295-V298 PolarHBondContact O-N 2.84Å; V295-V299 HydrophobicContact CG1-CG2 3.74Å; V295-V299 WeakPolarHBondContact O-CB 3.39Å; V295-V299 VanDerWaalsContact O-CG2 3.22Å; V295-V299 WeakPolarHBondContact O-CG2 3.35Å; V295-V299 PolarHBondContact O-N 3.03Å
296E52.7Low59.8Low178 Ų178115.7 Ų115.783%0.83265%0.646SS**Hα-helixtrans-59.8-38.6-179.8-72.9-178.716000112.9V294 S300V294-E296 VanDerWaalsContact C-N 3.31Å; E296-S300 WeakPolarHBondContact O-CB 3.47Å; E296-S300 PolarHBondContact O-N 3.28Å; E296-S300 VanDerWaalsContact O-N 3.12Å
297E52Low57.6Low137 Ų137116.2 Ų116.264%0.6465%0.647SS**Hα-helixtrans-80.8-33.4-176.8-145.7171-152.600112.4V294 V295 S301V294-E297 HydrophobicContact CG1-CB 3.26Å; V294-E297 HydrophobicContact CG1-CG 4.33Å; V294-E297 WeakPolarHBondContact CG1-OE2 3.35Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 3Å; E297-S301 WeakPolarHBondContact O-CB 3.43Å; E297-S301 PolarHBondContact O-N 3.13Å; E297-S301 PolarHBondContact O-OG 3.09Å
298V52.3Low55.2Low85 Ų85118 Ų11852%0.51566%0.658SS.*Hα-helixtrans-74.1-42.2176.3-178.80000111.1V295 S300 S301 L302V295-V298 PolarHBondContact O-N 2.84Å; V298-S300 VanDerWaalsContact C-N 3.35Å; V298-S300 PolarHBondContact O-N 3.32Å; V298-S301 PolarHBondContact O-N 3.31Å; V298-L302 HydrophobicContact CG1-CD1 3.89Å; V298-L302 HydrophobicContact CG1-CG 4.32Å; V298-L302 WeakPolarHBondContact O-CB 3.38Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.4Å; V298-L302 PolarHBondContact O-N 3.13Å
299V59.3Low53.1Low90 Ų90121.4 Ų121.455%0.54568%0.676SS.*Hα-helixtrans-65.3-39.5176.3177.70000110.9V295 S301 L302 G303V295-V299 HydrophobicContact CG1-CG2 3.74Å; V295-V299 WeakPolarHBondContact O-CB 3.39Å; V295-V299 VanDerWaalsContact O-CG2 3.22Å; V295-V299 WeakPolarHBondContact O-CG2 3.35Å; V295-V299 PolarHBondContact O-N 3.03Å; V299-S301 PolarHBondContact O-N 3.5Å; V299-L302 PolarHBondContact O-N 3.12Å; V299-G303 PolarHBondContact O-N 3.03Å
300S60.1Low51.1Low80 Ų80125.2 Ų125.256%0.55968%0.677SS**Hα-helixtrans-60.9-41.9172.4178.40000112.6E296 V298 S304E296-S300 WeakPolarHBondContact O-CB 3.47Å; E296-S300 PolarHBondContact O-N 3.28Å; E296-S300 VanDerWaalsContact O-N 3.12Å; V298-S300 VanDerWaalsContact C-N 3.35Å; V298-S300 PolarHBondContact O-N 3.32Å; S300-S304 PolarHBondContact O-OG 2.77Å
301S56.8Low49.4Very low73 Ų73122.6 Ų122.651%0.5168%0.678SS.*Hα-helixtrans-69.8-38.5178.8-58.80000112.4E297 V298 V299 S304E297-S301 WeakPolarHBondContact O-CB 3.43Å; E297-S301 PolarHBondContact O-N 3.13Å; E297-S301 PolarHBondContact O-OG 3.09Å; V298-S301 PolarHBondContact O-N 3.31Å; V299-S301 PolarHBondContact O-N 3.5Å; S301-S304 PolarHBondContact O-N 2.81Å
302L57.6Low48Very low108 Ų108123 Ų12357%0.56568%0.682SS**Hα-helixtrans-67.9-37.1176.9-73.7167.9000112.1V298 V299 S304 I305V298-L302 HydrophobicContact CG1-CD1 3.89Å; V298-L302 HydrophobicContact CG1-CG 4.32Å; V298-L302 WeakPolarHBondContact O-CB 3.38Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.4Å; V298-L302 PolarHBondContact O-N 3.13Å; V299-L302 PolarHBondContact O-N 3.12Å; L302-S304 PolarHBondContact O-N 2.98Å; L302-S304 VanDerWaalsContact O-N 3.15Å; L302-I305 HydrophobicContact CD2-CD1 4.23Å; L302-I305 PolarHBondContact O-N 3.2Å; L302-I305 VanDerWaalsContact O-N 3.15Å
303G53.2Low47Very low69 Ų69118 Ų11871%0.71168%0.678SS**THydrogen-bonded Turntrans-64.4-15.1175.600000114.5V299V299-G303 PolarHBondContact O-N 3.03Å
304S53.8Low46.1Very low95 Ų95123 Ų12366%0.66469%0.688SS**THydrogen-bonded Turntrans-91.3-9.4177.6-58.30000113.5S300 S301 L302 K306S300-S304 PolarHBondContact O-OG 2.77Å; S301-S304 PolarHBondContact O-N 2.81Å; L302-S304 PolarHBondContact O-N 2.98Å; L302-S304 VanDerWaalsContact O-N 3.15Å; S304-K306 PolarHBondContact O-N 2.98Å; S304-K306 VanDerWaalsContact O-N 3.11Å
305I44.7Very low45.3Very low111 Ų111124.6 Ų124.657%0.56970%0.699SS**  trans-81.294.7176.7-58.2176.9000107.6L302 I307L302-I305 HydrophobicContact CD2-CD1 4.23Å; L302-I305 PolarHBondContact O-N 3.2Å; L302-I305 VanDerWaalsContact O-N 3.15Å; I305-I307 HydrophobicContact CG2-CG1 4.1Å; I305-I307 PolarHBondContact O-N 3.46Å; I305-I307 VanDerWaalsContact O-N 3.15Å
306K39.9Very low44.3Very low196 Ų196126.4 Ų126.485%0.85271%0.713SS**  trans-69.7103.7164.7-72.5-175.6177.4-175.60108S304S304-K306 PolarHBondContact O-N 2.98Å; S304-K306 VanDerWaalsContact O-N 3.11Å
307I41Very low43.3Very low128 Ų128127 Ų12766%0.65672%0.716SS**  trans-76.1121.3164-57.5179.4000105.5I305 D309I305-I307 HydrophobicContact CG2-CG1 4.1Å; I305-I307 PolarHBondContact O-N 3.46Å; I305-I307 VanDerWaalsContact O-N 3.15Å; I307-D309 PolarHBondContact O-N 3.5Å; I307-D309 VanDerWaalsContact O-N 3.11Å
308E35.8Very low42.4Very low187 Ų187129.5 Ų129.587%0.87473%0.728SS**  trans-69.5103.7172.1-68.7-178.1161.600107.1E310E308-E310 PolarHBondContact O-N 2.96Å; E308-E310 VanDerWaalsContact O-N 3.07Å
309D37.2Very low41.3Very low149 Ų149131.9 Ų131.980%0.79774%0.742SS**  trans-66.8102.7179.6-67.5-43.6000110.1I307I307-D309 PolarHBondContact O-N 3.5Å; I307-D309 VanDerWaalsContact O-N 3.11Å
310E35.9Very low39.9Very low182 Ų182136.4 Ų136.485%0.8576%0.762SS**  trans-73.7120.1152.8-76.7-165.5156.400108.4E308E308-E310 PolarHBondContact O-N 2.96Å; E308-E310 VanDerWaalsContact O-N 3.07Å
311D36.5Very low38.5Very low150 Ų150135.5 Ų135.580%0.80277%0.766SS**SBendtrans61.881.1162.4-62-30.9000118.2
312G31.5Very low37.4Very low77 Ų77141.2 Ų141.279%0.79479%0.785SS**  6660.4120.300000117.7
313V33.1Very low36.3Very low137 Ų137144.3 Ų144.383%0.8380%0.8SS**  trans-132.6119.5155.2-177.60000109
314H31.9Very low35.6Very low183 Ų183149.2 Ų149.285%0.84780%0.804SS**PPolyproline II helixtrans-63.3134.2-179.1-79.3-76.9000111.9
315P32Very low35Very low115 Ų115154 Ų15475%0.74782%0.816SS**PPolyproline II helixtrans-73.6142.7-18027.1-31.5000112
316P33.8Very low35.6Very low125 Ų125153.3 Ų153.381%0.81281%0.813SS**PPolyproline II helixtrans-74.5142.1175.5-3.419.8000111.5E318P316-E318 PolarHBondContact O-N 3.15Å
317E32.1Very low36.5Very low191 Ų191146.2 Ų146.289%0.89379%0.788SS**PPolyproline II helixtrans-58130.1178.9-73.8177.5147.100112.7T319E317-T319 PolarHBondContact O-N 3.12Å
318E32.3Very low37.6Very low189 Ų189143.9 Ų143.988%0.88379%0.787SS**  trans-60.3115.2178.6-68.5174.7147.500111.6P316P316-E318 PolarHBondContact O-N 3.15Å
319T29.7Very low38.9Very low135 Ų135142.7 Ų142.783%0.82878%0.782SS**  trans-115.6109.8157.237.50000108.4E317 G321E317-T319 PolarHBondContact O-N 3.12Å; T319-G321 VanDerWaalsContact C-N 3.28Å; T319-G321 PolarHBondContact O-N 3.4Å
320L29.9Very low40.4Very low184 Ų184140.3 Ų140.396%0.96377%0.766SS**  trans-66.784.1172.2-76.1156.2000109.1
321G30.6Very low42.1Very low62 Ų62136 Ų13664%0.63975%0.748SS**  trans-87.5140.1171.300000111.6T319T319-G321 VanDerWaalsContact C-N 3.28Å; T319-G321 PolarHBondContact O-N 3.4Å
322E32.3Very low43.7Very low192 Ų192133.5 Ų133.590%0.89774%0.738SS**  trans-58.6138.2174.9-65.8178.8153.400110.8E324E322-E324 PolarHBondContact O-N 2.91Å
323I35.5Very low45.5Very low173 Ų173135.9 Ų135.989%0.88773%0.729SS**  trans-68.798-176.2-57.4169.5000108.9
324E38Very low47.3Very low173 Ų173133.1 Ų133.181%0.80871%0.709SS**  trans-71143.7168.2-74.2-171.4150.400110.5E322 I326E322-E324 PolarHBondContact O-N 2.91Å; E324-I326 PolarHBondContact O-N 3.42Å; E324-I326 VanDerWaalsContact O-N 3.13Å
325E40.6Very low49.1Very low196 Ų196127.7 Ų127.792%0.91669%0.688SS**  trans-56.7115.7177.7-80.8-177.4145.200110.4S327E325-S327 PolarHBondContact O-N 2.95Å
326I58.5Low50.8Low96 Ų96124.7 Ų124.749%0.49267%0.67SS.*  trans-59.6125.1175.4-57.3173.8000108.7E324 E330 L331 I334E324-I326 PolarHBondContact O-N 3.42Å; E324-I326 VanDerWaalsContact O-N 3.13Å; I326-E330 HydrophobicContact CG2-CB 3.53Å; I326-L331 HydrophobicContact CG2-CG 4.05Å; I326-I334 HydrophobicContact CG2-CD1 4.5Å
327S58Low52.3Low47 Ų47122.5 Ų122.533%0.32965%0.651SS.*  trans-66.2155.5179.267.30000111.3E325 E329 E330 L331E325-S327 PolarHBondContact O-N 2.95Å; S327-E329 PolarHBondContact O-N 2.69Å; S327-E330 PolarHBondContact N-OE2 3.38Å; S327-E330 VanDerWaalsContact N-OE2 3.1Å; S327-E330 PolarHBondContact O-N 2.83Å; S327-E330 WeakPolarHBondContact OG-CG 3.41Å; S327-E330 PolarHBondContact OG-N 2.96Å; S327-E330 PolarHBondContact OG-OE2 3.02Å; S327-L331 PolarHBondContact O-N 3.27Å; S327-L331 VanDerWaalsContact O-N 3.09Å
328A64.2Low54Low78 Ų78117.8 Ų117.865%0.64563%0.631SS**Hα-helixtrans-59.5-28.8177.700000112.6V332A328-V332 WeakPolarHBondContact O-CG2 3.32Å; A328-V332 PolarHBondContact O-N 2.89Å; A328-V332 VanDerWaalsContact O-N 3.14Å
329E63.1Low55.3Low163 Ų163114.1 Ų114.176%0.76262%0.617SS**Hα-helixtrans-69.7-44.6178.4-68.8165.9-176.300111.3S327 L331 V332 E333S327-E329 PolarHBondContact O-N 2.69Å; E329-L331 VanDerWaalsContact C-N 3.35Å; E329-L331 PolarHBondContact O-N 3.06Å; E329-V332 PolarHBondContact O-N 2.85Å; E329-E333 PolarHBondContact O-N 3.15Å
330E69.4Low56.7Low99 Ų99113.8 Ų113.846%0.46360%0.604SS.*Hα-helixtrans-65.2-36.9174.2-76.5168.5134.400112.3I326 S327 V332 E333 I334I326-E330 HydrophobicContact CG2-CB 3.53Å; S327-E330 PolarHBondContact N-OE2 3.38Å; S327-E330 VanDerWaalsContact N-OE2 3.1Å; S327-E330 PolarHBondContact O-N 2.83Å; S327-E330 WeakPolarHBondContact OG-CG 3.41Å; S327-E330 PolarHBondContact OG-N 2.96Å; S327-E330 PolarHBondContact OG-OE2 3.02Å; E330-V332 VanDerWaalsContact C-N 3.31Å; E330-V332 PolarHBondContact O-N 2.98Å; E330-E333 PolarHBondContact O-N 3.31Å; E330-I334 WeakPolarHBondContact O-CB 3.33Å; E330-I334 VanDerWaalsContact O-CG1 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.48Å; E330-I334 PolarHBondContact O-N 2.92Å
331L70.5Confident57.6Low91 Ų91113.4 Ų113.448%0.47659%0.591SS.*Hα-helixtrans-62.1-38.5173.8-92.3166.1000112.3I326 S327 E329 E333 T335I326-L331 HydrophobicContact CG2-CG 4.05Å; S327-L331 PolarHBondContact O-N 3.27Å; S327-L331 VanDerWaalsContact O-N 3.09Å; E329-L331 VanDerWaalsContact C-N 3.35Å; E329-L331 PolarHBondContact O-N 3.06Å; L331-E333 VanDerWaalsContact C-N 3.35Å; L331-T335 WeakPolarHBondContact O-CB 3.43Å; L331-T335 WeakPolarHBondContact O-CG2 3.35Å; L331-T335 PolarHBondContact O-N 3.5Å; L331-T335 PolarHBondContact O-OG1 3.33Å
332V70.2Confident58.6Low98 Ų98115.4 Ų115.459%0.59459%0.586SS**Hα-helixtrans-66.1-39.2174.71710000110.7A328 E329 E330 T335 S336A328-V332 WeakPolarHBondContact O-CG2 3.32Å; A328-V332 PolarHBondContact O-N 2.89Å; A328-V332 VanDerWaalsContact O-N 3.14Å; E329-V332 PolarHBondContact O-N 2.85Å; E330-V332 VanDerWaalsContact C-N 3.31Å; E330-V332 PolarHBondContact O-N 2.98Å; V332-T335 WeakPolarHBondContact CA-OG1 3.22Å; V332-T335 PolarHBondContact O-OG1 2.87Å; V332-T335 VanDerWaalsContact O-OG1 3.06Å; V332-S336 VanDerWaalsContact O-CB 3.22Å; V332-S336 WeakPolarHBondContact O-CB 3.45Å; V332-S336 PolarHBondContact O-N 3.42Å
333E69.3Low59.4Low127 Ų127111.9 Ų111.959%0.59357%0.573SS**Hα-helixtrans-68.7-43.5177.7-170.1162.2-164.300112.3E329 E330 L331 T335 S336 N337E329-E333 PolarHBondContact O-N 3.15Å; E330-E333 PolarHBondContact O-N 3.31Å; L331-E333 VanDerWaalsContact C-N 3.35Å; E333-T335 PolarHBondContact O-N 3.31Å; E333-S336 PolarHBondContact O-N 3.31Å; E333-N337 WeakPolarHBondContact O-CB 3.31Å; E333-N337 PolarHBondContact O-N 3.02Å; E333-N337 PolarHBondContact O-ND2 2.94Å
334I71.8Confident60.1Low79 Ų79107.3 Ų107.341%0.40555%0.554SS.*Hα-helixtrans-60.6-47.1174.6-68.1165.2000110.5I326 E330 N337 I338I326-I334 HydrophobicContact CG2-CD1 4.5Å; E330-I334 WeakPolarHBondContact O-CB 3.33Å; E330-I334 VanDerWaalsContact O-CG1 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.48Å; E330-I334 PolarHBondContact O-N 2.92Å; I334-N337 PolarHBondContact O-N 3.49Å; I334-I338 HydrophobicContact CG2-CD1 3.84Å; I334-I338 VanDerWaalsContact O-CG1 3.32Å; I334-I338 WeakPolarHBondContact O-CG1 3.44Å; I334-I338 PolarHBondContact O-N 3.5Å
335T69.2Low60.3Low69 Ų69102.9 Ų102.942%0.42354%0.536SS..Hα-helixtrans-66-38.1178.543.50000112.5L331 V332 E333 I338 L339L331-T335 WeakPolarHBondContact O-CB 3.43Å; L331-T335 WeakPolarHBondContact O-CG2 3.35Å; L331-T335 PolarHBondContact O-N 3.5Å; L331-T335 PolarHBondContact O-OG1 3.33Å; V332-T335 WeakPolarHBondContact CA-OG1 3.22Å; V332-T335 PolarHBondContact O-OG1 2.87Å; V332-T335 VanDerWaalsContact O-OG1 3.06Å; E333-T335 PolarHBondContact O-N 3.31Å; T335-I338 PolarHBondContact O-N 2.73Å; T335-L339 WeakPolarHBondContact O-CB 3.36Å; T335-L339 WeakPolarHBondContact O-CG 3.16Å; T335-L339 PolarHBondContact O-N 3.05Å
336S67Low60.5Low52 Ų5296 Ų9636%0.36451%0.512SS..Hα-helixtrans-62-42.2173.5-174.50000112V332 E333 L339 K340V332-S336 VanDerWaalsContact O-CB 3.22Å; V332-S336 WeakPolarHBondContact O-CB 3.45Å; V332-S336 PolarHBondContact O-N 3.42Å; E333-S336 PolarHBondContact O-N 3.31Å; S336-L339 PolarHBondContact O-N 3.23Å; S336-K340 WeakPolarHBondContact O-CG 3.26Å; S336-K340 PolarHBondContact O-N 2.86Å
337N67.1Low59.6Low78 Ų7898.4 Ų98.442%0.41753%0.526SS..Hα-helixtrans-69.2-37.9178.1-72.4-26.2000112.5E333 I334 K340 Y341E333-N337 WeakPolarHBondContact O-CB 3.31Å; E333-N337 PolarHBondContact O-N 3.02Å; E333-N337 PolarHBondContact O-ND2 2.94Å; I334-N337 PolarHBondContact O-N 3.49Å; N337-K340 PolarHBondContact O-N 3.44Å; N337-Y341 PolarHBondContact O-N 3.32Å; N337-Y341 VanDerWaalsContact O-N 3.15Å
338I66.2Low58.7Low92 Ų92103.6 Ų103.647%0.47254%0.543SS..Hα-helixtrans-64.4-44.9173-69168.1000110.6I334 T335 K340 Y341 I342I334-I338 HydrophobicContact CG2-CD1 3.84Å; I334-I338 VanDerWaalsContact O-CG1 3.32Å; I334-I338 WeakPolarHBondContact O-CG1 3.44Å; I334-I338 PolarHBondContact O-N 3.5Å; T335-I338 PolarHBondContact O-N 2.73Å; I338-K340 PolarHBondContact O-N 3.4Å; I338-Y341 WeakPolarHBondContact O-CB 3.49Å; I338-Y341 PolarHBondContact O-N 3.22Å; I338-Y341 VanDerWaalsContact O-N 3.12Å; I338-I342 HydrophobicContact CG2-CD1 3.81Å; I338-I342 HydrophobicContact CG2-CG1 4.42Å; I338-I342 WeakPolarHBondContact O-CG1 3.38Å; I338-I342 PolarHBondContact O-N 3.48Å
339L60.4Low57.4Low112 Ų112106.6 Ų106.659%0.58655%0.547SS*.Hα-helixtrans-62.9-40.2178.7-78.8167.3000112.2T335 S336 Y341 I342 D343T335-L339 WeakPolarHBondContact O-CB 3.36Å; T335-L339 WeakPolarHBondContact O-CG 3.16Å; T335-L339 PolarHBondContact O-N 3.05Å; S336-L339 PolarHBondContact O-N 3.23Å; L339-Y341 VanDerWaalsContact C-N 3.28Å; L339-Y341 PolarHBondContact O-N 3.21Å; L339-I342 PolarHBondContact O-N 2.96Å; L339-D343 PolarHBondContact O-N 3.14Å
340K58.1Low56Low129 Ų129101.6 Ų101.656%0.56154%0.539SS*.Hα-helixtrans-59.8-39.5172.4-75174.3-174.5170.30112.2S336 N337 I338 D343 T344S336-K340 WeakPolarHBondContact O-CG 3.26Å; S336-K340 PolarHBondContact O-N 2.86Å; N337-K340 PolarHBondContact O-N 3.44Å; I338-K340 PolarHBondContact O-N 3.4Å; K340-D343 PolarHBondContact O-N 3.09Å; K340-T344 WeakPolarHBondContact O-CG2 3.22Å; K340-T344 PolarHBondContact O-N 3.11Å; K340-T344 PolarHBondContact O-OG1 3.15Å
341Y50.7Low54.2Low176 Ų176103.1 Ų103.169%0.6956%0.559SS**Hα-helixtrans-65.9-40.3176.9-121-84.4000111.9N337 I338 L339 T344 D345N337-Y341 PolarHBondContact O-N 3.32Å; N337-Y341 VanDerWaalsContact O-N 3.15Å; I338-Y341 WeakPolarHBondContact O-CB 3.49Å; I338-Y341 PolarHBondContact O-N 3.22Å; I338-Y341 VanDerWaalsContact O-N 3.12Å; L339-Y341 VanDerWaalsContact C-N 3.28Å; L339-Y341 PolarHBondContact O-N 3.21Å; Y341-T344 WeakPolarHBondContact CA-OG1 3.32Å; Y341-T344 PolarHBondContact O-N 3.15Å; Y341-T344 PolarHBondContact O-OG1 3.03Å; Y341-D345 PolarHBondContact O-N 3.32Å
342I51.2Low52.3Low103 Ų103104.8 Ų104.853%0.52858%0.576SS.*Hα-helixtrans-66.7-41176.3-64.9168.2000111I338 L339 T344 D345 A346I338-I342 HydrophobicContact CG2-CD1 3.81Å; I338-I342 HydrophobicContact CG2-CG1 4.42Å; I338-I342 WeakPolarHBondContact O-CG1 3.38Å; I338-I342 PolarHBondContact O-N 3.48Å; L339-I342 PolarHBondContact O-N 2.96Å; I342-T344 VanDerWaalsContact C-N 3.34Å; I342-T344 PolarHBondContact O-N 3.11Å; I342-D345 PolarHBondContact O-N 3.12Å; I342-A346 PolarHBondContact O-N 3.18Å
343D48.3Very low50.5Low118 Ų118115.2 Ų115.263%0.63161%0.605SS**Hα-helixtrans-64.8-37.4176.8-116.2-9.6000111.7L339 K340 D345 A346 D347L339-D343 PolarHBondContact O-N 3.14Å; K340-D343 PolarHBondContact O-N 3.09Å; D343-D345 PolarHBondContact O-N 2.79Å; D343-A346 WeakPolarHBondContact O-CB 3.49Å; D343-A346 PolarHBondContact O-N 3.07Å; D343-A346 VanDerWaalsContact O-N 3.17Å; D343-D347 PolarHBondContact O-N 2.98Å
344T49.4Very low49.5Very low77 Ų77114.7 Ų114.747%0.47261%0.606SS.*Hα-helixtrans-67.6-21.8175.949.10000114.2K340 Y341 I342K340-T344 WeakPolarHBondContact O-CG2 3.22Å; K340-T344 PolarHBondContact O-N 3.11Å; K340-T344 PolarHBondContact O-OG1 3.15Å; Y341-T344 WeakPolarHBondContact CA-OG1 3.32Å; Y341-T344 PolarHBondContact O-N 3.15Å; Y341-T344 PolarHBondContact O-OG1 3.03Å; I342-T344 VanDerWaalsContact C-N 3.34Å; I342-T344 PolarHBondContact O-N 3.11Å
345D42.5Very low48.3Very low80 Ų80116.5 Ų116.543%0.42862%0.617SS.*Hα-helixtrans-89.3-24172-81.7-22000112.5Y341 I342 D343 D347 K348 I349Y341-D345 PolarHBondContact O-N 3.32Å; I342-D345 PolarHBondContact O-N 3.12Å; D343-D345 PolarHBondContact O-N 2.79Å; D345-D347 VanDerWaalsContact C-N 3.34Å; D345-K348 PolarHBondContact O-N 3.1Å; D345-K348 IonicContact OD1-NZ 2.87Å; D345-K348 PolarHBondContact OD1-NZ 3.23Å; D345-I349 PolarHBondContact O-N 3.28Å
346A44.7Very low47.2Very low51 Ų51119.2 Ų119.242%0.42163%0.627SS.*Hα-helixtrans-64.4-38.117000000111.8I342 D343 K348 I349I342-A346 PolarHBondContact O-N 3.18Å; D343-A346 WeakPolarHBondContact O-CB 3.49Å; D343-A346 PolarHBondContact O-N 3.07Å; D343-A346 VanDerWaalsContact O-N 3.17Å; A346-K348 PolarHBondContact O-N 3.36Å; A346-I349 PolarHBondContact O-N 3.13Å; A346-I349 VanDerWaalsContact O-N 3.07Å
347D40.3Very low46Very low147 Ų147123.1 Ų123.179%0.78664%0.643SS**THydrogen-bonded Turntrans-66.7-18.3174.4-86.6-18.1000113.6D343 D345D343-D347 PolarHBondContact O-N 2.98Å; D345-D347 VanDerWaalsContact C-N 3.34Å
348K39.1Very low44.7Very low157 Ų157125.9 Ų125.968%0.68366%0.657SS**THydrogen-bonded Turntrans-85-15.1172.8-70.1179.4-166.6150.40113.2D345 A346 G350D345-K348 PolarHBondContact O-N 3.1Å; D345-K348 IonicContact OD1-NZ 2.87Å; D345-K348 PolarHBondContact OD1-NZ 3.23Å; A346-K348 PolarHBondContact O-N 3.36Å; K348-G350 VanDerWaalsContact C-N 3.28Å; K348-G350 PolarHBondContact O-N 2.98Å
349I37.5Very low43.3Very low141 Ų141128.2 Ų128.272%0.72367%0.669SS**SBendtrans-85.983.4172.6-57175.2000106.8D345 A346 C351D345-I349 PolarHBondContact O-N 3.28Å; A346-I349 PolarHBondContact O-N 3.13Å; A346-I349 VanDerWaalsContact O-N 3.07Å; I349-C351 PolarHBondContact O-N 3.48Å
350G32.8Very low42Very low58 Ų58129.4 Ų129.460%0.59868%0.675SS**  trans-40.9120-173.100000114.3K348 C352K348-G350 VanDerWaalsContact C-N 3.28Å; K348-G350 PolarHBondContact O-N 2.98Å; G350-C352 PolarHBondContact O-N 2.91Å
351C31.6Very low40.8Very low131 Ų131129.4 Ų129.489%0.88568%0.684SS**  trans-6696.5162.9-162.70000108.3I349 R353I349-C351 PolarHBondContact O-N 3.48Å; C351-R353 PolarHBondContact O-N 3.29Å
352C31.5Very low40Very low125 Ų125125.5 Ų125.585%0.84568%0.683SS**  trans-61.8117.9170.3-67.20000109.4G350G350-C352 PolarHBondContact O-N 2.91Å
353R30.8Very low39Very low318 Ų318127.5 Ų127.5100%1.270%0.697SS**  trans-83.10157.1-89.4-172.8175.8-176.30110.5C351C351-R353 PolarHBondContact O-N 3.29Å

Retrieved 353 of 353 residues in 169.1 ms (Link to these results)

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