A0A077ZIX8_TRITR Loading...

Glucose-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A077ZIX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 553 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.7Confident97Very high139 Ų13953.4 Ų53.469%0.68529%0.293SS*.  0135.40-179.4-175.4-69.800107.3A5 D6 R74M1-A5 HydrophobicContact CG-CB 4.1Å; M1-D6 HydrophobicContact SD-CB 4.36Å; M1-R74 PolarHBondContact O-NH1 3.49Å; M1-R74 PolarHBondContact O-NH2 2.83Å
2S94.5Very high97.1Very high15 Ų1548.9 Ų48.911%0.10527%0.269CS..  trans-60146.2174.8-1750000110.8V4 A5 D6 R363S2-V4 VanDerWaalsContact C-N 3.29Å; S2-V4 PolarHBondContact O-N 3.05Å; S2-V4 WeakPolarHBondContact OG-CG2 3.47Å; S2-A5 PolarHBondContact O-N 3.48Å; S2-A5 VanDerWaalsContact O-N 3.09Å; S2-D6 PolarHBondContact O-N 2.78Å; S2-R363 VanDerWaalsContact CA-NH1 3.33Å
3L98.2Very high97.2Very high0 Ų051.8 Ų51.80%028%0.277CS..G310 helixtrans-56.6-44.4176.4177.559.7000111.5A5 D6 Y9 L70 R74 Y371 I502L3-A5 PolarHBondContact O-N 2.61Å; L3-D6 WeakPolarHBondContact O-CB 3.45Å; L3-D6 PolarHBondContact O-N 2.97Å; L3-Y9 HydrophobicContact CD1-CD2 3.61Å; L3-Y9 HydrophobicContact CD1-CE2 4.31Å; L3-Y9 HydrophobicContact CD1-CG 4.14Å; L3-Y9 HydrophobicContact CD2-CD2 4.01Å; L3-Y9 HydrophobicContact CD2-CE2 3.85Å; L3-Y9 HydrophobicContact CG-CD2 3.54Å; L3-Y9 HydrophobicContact CG-CE2 3.82Å; L3-Y9 HydrophobicContact CG-CG 4.07Å; L3-Y9 WeakPolarHBondContact O-CB 3.35Å; L3-L70 HydrophobicContact CD1-CD1 3.91Å; L3-L70 HydrophobicContact CD1-CD2 4.29Å; L3-R74 HydrophobicContact CD1-CG 4.43Å; L3-Y371 HydrophobicContact CB-CD1 4.11Å; L3-Y371 HydrophobicContact CB-CD2 4.46Å; L3-Y371 HydrophobicContact CB-CE1 3.58Å; L3-Y371 HydrophobicContact CB-CE2 4Å; L3-Y371 HydrophobicContact CB-CG 4.5Å; L3-Y371 VanDerWaalsContact CB-CZ 3.49Å; L3-Y371 HydrophobicContact CD2-CD2 4.02Å; L3-Y371 HydrophobicContact CD2-CE2 4.04Å; L3-Y371 HydrophobicContact CD2-CG 4.38Å; L3-I502 HydrophobicContact CD1-CG2 3.85Å; L3-I502 HydrophobicContact CD2-CG2 4.22Å
4V97.6Very high97.3Very high53 Ų5355.4 Ų55.432%0.32129%0.291SS..G310 helixtrans-71-12.6179.8-64.50000113.9S2 Y9 S370 Y371S2-V4 VanDerWaalsContact C-N 3.29Å; S2-V4 PolarHBondContact O-N 3.05Å; S2-V4 WeakPolarHBondContact OG-CG2 3.47Å; V4-Y9 HydrophobicContact CB-CD1 4.49Å; V4-Y9 HydrophobicContact CB-CE1 4.38Å; V4-Y9 HydrophobicContact CG1-CD1 4.35Å; V4-Y9 HydrophobicContact CG1-CE1 3.81Å; V4-S370 WeakPolarHBondContact CG2-OG 3.32Å; V4-Y371 HydrophobicContact CG1-CD1 3.7Å; V4-Y371 HydrophobicContact CG1-CG 4.33Å; V4-Y371 HydrophobicContact CG2-CD1 4.41Å
5A97.1Very high97.3Very high60 Ų6052.9 Ų52.950%0.49628%0.277SS..G310 helixtrans-94.4-4.4173.800000112.3M1 S2 L3 P7M1-A5 HydrophobicContact CG-CB 4.1Å; S2-A5 PolarHBondContact O-N 3.48Å; S2-A5 VanDerWaalsContact O-N 3.09Å; L3-A5 PolarHBondContact O-N 2.61Å; A5-P7 WeakPolarHBondContact O-CD 3.16Å
6D98.4Very high97.4Very high4 Ų453.1 Ų53.12%0.02127%0.273CS..  trans-73.3123176.3-165.9-51.7000110M1 S2 L3 N8 Y9 E10 L70 S73 R74M1-D6 HydrophobicContact SD-CB 4.36Å; S2-D6 PolarHBondContact O-N 2.78Å; L3-D6 WeakPolarHBondContact O-CB 3.45Å; L3-D6 PolarHBondContact O-N 2.97Å; D6-N8 PolarHBondContact O-N 2.94Å; D6-N8 VanDerWaalsContact O-N 3.14Å; D6-N8 WeakPolarHBondContact OD1-CB 3.33Å; D6-N8 PolarHBondContact OD1-N 2.9Å; D6-Y9 WeakPolarHBondContact O-CB 3.42Å; D6-Y9 PolarHBondContact O-N 3.39Å; D6-E10 PolarHBondContact O-N 3.43Å; D6-E10 VanDerWaalsContact O-N 3.07Å; D6-L70 HydrophobicContact CB-CD1 4.38Å; D6-S73 PolarHBondContact OD1-OG 2.67Å; D6-S73 PolarHBondContact OD2-OG 3.23Å; D6-R74 WeakPolarHBondContact OD2-CD 3.42Å; D6-R74 IonicContact OD2-NH1 3.26Å
7P98.5Very high97.4Very high81 Ų8156.5 Ų56.553%0.52629%0.288SS..Hα-helixtrans-57-29.8179.1-25.834.8000113.8A5 K11A5-P7 WeakPolarHBondContact O-CD 3.16Å; P7-K11 VanDerWaalsContact O-CG 3.32Å; P7-K11 WeakPolarHBondContact O-CG 3.44Å; P7-K11 PolarHBondContact O-N 3.1Å
8N98.6Very high97.4Very high33 Ų3362.9 Ų62.918%0.17631%0.314CS..Hα-helixtrans-74.8-32.1177.4-64.1-51000111.9D6 K11 L12 L70 S73D6-N8 PolarHBondContact O-N 2.94Å; D6-N8 VanDerWaalsContact O-N 3.14Å; D6-N8 WeakPolarHBondContact OD1-CB 3.33Å; D6-N8 PolarHBondContact OD1-N 2.9Å; N8-K11 PolarHBondContact O-N 3.13Å; N8-L12 WeakPolarHBondContact O-CG 3.37Å; N8-L12 PolarHBondContact O-N 3.43Å; N8-L70 HydrophobicContact CB-CB 4.33Å; N8-L70 HydrophobicContact CB-CD1 4.29Å; N8-S73 WeakPolarHBondContact ND2-CB 3.37Å; N8-S73 PolarHBondContact ND2-OG 3.28Å
9Y98.6Very high97.4Very high18 Ų1863.7 Ų63.77%0.07132%0.315CS..Hα-helixtrans-66.4-43171.9-175.3-89.1000111.2L3 V4 D6 K11 L12 K13 L70 N327 F328L3-Y9 HydrophobicContact CD1-CD2 3.61Å; L3-Y9 HydrophobicContact CD1-CE2 4.31Å; L3-Y9 HydrophobicContact CD1-CG 4.14Å; L3-Y9 HydrophobicContact CD2-CD2 4.01Å; L3-Y9 HydrophobicContact CD2-CE2 3.85Å; L3-Y9 HydrophobicContact CG-CD2 3.54Å; L3-Y9 HydrophobicContact CG-CE2 3.82Å; L3-Y9 HydrophobicContact CG-CG 4.07Å; L3-Y9 WeakPolarHBondContact O-CB 3.35Å; V4-Y9 HydrophobicContact CB-CD1 4.49Å; V4-Y9 HydrophobicContact CB-CE1 4.38Å; V4-Y9 HydrophobicContact CG1-CD1 4.35Å; V4-Y9 HydrophobicContact CG1-CE1 3.81Å; D6-Y9 WeakPolarHBondContact O-CB 3.42Å; D6-Y9 PolarHBondContact O-N 3.39Å; Y9-K11 VanDerWaalsContact C-N 3.35Å; Y9-K11 PolarHBondContact O-N 3.48Å; Y9-L12 WeakPolarHBondContact O-CB 3.28Å; Y9-L12 PolarHBondContact O-N 2.8Å; Y9-L12 VanDerWaalsContact O-N 3.16Å; Y9-K13 PolarHBondContact O-N 2.86Å; Y9-L70 HydrophobicContact CD2-CD2 4.34Å; Y9-N327 HydrophobicContact CE2-CB 4.04Å; Y9-F328 HydrophobicContact CD2-CE1 4.44Å; Y9-F328 HydrophobicContact CD2-CE2 4.41Å; Y9-F328 AromaticContact CD2-CZ 3.69Å; Y9-F328 HydrophobicContact CD2-CZ 3.69Å; Y9-F328 HydrophobicContact CE1-CE1 4.45Å; Y9-F328 HydrophobicContact CE2-CE1 4.04Å; Y9-F328 AromaticContact CE2-CE2 3.95Å; Y9-F328 HydrophobicContact CE2-CE2 3.95Å; Y9-F328 AromaticContact CE2-CZ 3.43Å; Y9-F328 HydrophobicContact CE2-CZ 3.43Å; Y9-F328 VanDerWaalsContact CE2-CZ 3.43Å; Y9-F328 HydrophobicContact CG-CZ 4.38Å; Y9-F328 AromaticContact CZ-CZ 3.92Å
10E98.3Very high97.2Very high70 Ų7060.5 Ų60.533%0.32730%0.299SS..Hα-helixtrans-63.5-39.5176.6-177.554.8-150.300111.9D6 L12 K13 Q14D6-E10 PolarHBondContact O-N 3.43Å; D6-E10 VanDerWaalsContact O-N 3.07Å; E10-L12 PolarHBondContact O-N 2.96Å; E10-K13 WeakPolarHBondContact O-CB 3.47Å; E10-K13 PolarHBondContact O-N 3.37Å; E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.08Å; E10-Q14 PolarHBondContact OE1-NE2 3.14Å; E10-Q14 VanDerWaalsContact OE1-NE2 3.12Å
11K98.3Very high97.1Very high114 Ų11460.1 Ų60.150%0.49630%0.302SS..Hα-helixtrans-59.6-44.1171.4-72.3172.9-173170.30112.1P7 N8 Y9 K13 Q14 F15 M66P7-K11 VanDerWaalsContact O-CG 3.32Å; P7-K11 WeakPolarHBondContact O-CG 3.44Å; P7-K11 PolarHBondContact O-N 3.1Å; N8-K11 PolarHBondContact O-N 3.13Å; Y9-K11 VanDerWaalsContact C-N 3.35Å; Y9-K11 PolarHBondContact O-N 3.48Å; K11-K13 VanDerWaalsContact C-N 3.29Å; K11-K13 PolarHBondContact O-N 3.39Å; K11-Q14 PolarHBondContact O-N 2.97Å; K11-F15 WeakPolarHBondContact O-CB 3.09Å; K11-F15 PolarHBondContact O-N 3.35Å; K11-M66 VanDerWaalsContact C-CE 3.41Å; K11-M66 HydrophobicContact CB-CE 3.69Å; K11-M66 WeakPolarHBondContact O-CE 3.36Å
12L98.7Very high97.5Very high0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-61.9-38.5176.5-77.8162.4000111.8N8 Y9 E10 F15 Y16 L63 M66 L67 L70 F328N8-L12 WeakPolarHBondContact O-CG 3.37Å; N8-L12 PolarHBondContact O-N 3.43Å; Y9-L12 WeakPolarHBondContact O-CB 3.28Å; Y9-L12 PolarHBondContact O-N 2.8Å; Y9-L12 VanDerWaalsContact O-N 3.16Å; E10-L12 PolarHBondContact O-N 2.96Å; L12-F15 WeakPolarHBondContact O-CB 3.48Å; L12-F15 PolarHBondContact O-N 3.45Å; L12-Y16 WeakPolarHBondContact O-CB 3.41Å; L12-Y16 PolarHBondContact O-N 2.92Å; L12-L63 HydrophobicContact CD2-CD1 3.35Å; L12-M66 HydrophobicContact CD2-CB 3.57Å; L12-M66 HydrophobicContact CD2-CE 4.18Å; L12-M66 HydrophobicContact CG-CB 4.1Å; L12-M66 HydrophobicContact CG-CE 4.22Å; L12-L67 HydrophobicContact CD1-CD2 3.94Å; L12-L67 HydrophobicContact CD2-CD2 3.99Å; L12-L67 HydrophobicContact CD2-CG 4.03Å; L12-L70 HydrophobicContact CD1-CB 3.93Å; L12-L70 HydrophobicContact CD1-CD2 3.7Å; L12-L70 HydrophobicContact CD1-CG 4.34Å; L12-F328 HydrophobicContact CB-CE1 3.62Å; L12-F328 HydrophobicContact CB-CE2 4.26Å; L12-F328 HydrophobicContact CB-CZ 3.39Å; L12-F328 HydrophobicContact CD1-CE2 4.49Å; L12-F328 HydrophobicContact CD1-CZ 4.1Å; L12-F328 HydrophobicContact CG-CZ 4.33Å
13K98.3Very high97.6Very high86 Ų8661.2 Ų61.237%0.37430%0.302SS..Hα-helixtrans-63-47.8176.2-175.3-175.4172-166.30111.3Y9 E10 K11 F15 Y16 E17 F328Y9-K13 PolarHBondContact O-N 2.86Å; E10-K13 WeakPolarHBondContact O-CB 3.47Å; E10-K13 PolarHBondContact O-N 3.37Å; K11-K13 VanDerWaalsContact C-N 3.29Å; K11-K13 PolarHBondContact O-N 3.39Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; K13-Y16 WeakPolarHBondContact O-CB 3.2Å; K13-Y16 PolarHBondContact O-N 3.47Å; K13-Y16 VanDerWaalsContact O-N 3.17Å; K13-E17 VanDerWaalsContact CE-OE1 3.32Å; K13-E17 WeakPolarHBondContact CE-OE1 3.31Å; K13-E17 WeakPolarHBondContact O-CG 3.38Å; K13-E17 PolarHBondContact O-N 3.47Å; K13-F328 HydrophobicContact CB-CE1 4.06Å
14Q98.3Very high97.5Very high102 Ų10262.8 Ų62.848%0.47731%0.313SS..Hα-helixtrans-61.5-39.7175.5-6817013.100111.9E10 K11 E17 K18E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.08Å; E10-Q14 PolarHBondContact OE1-NE2 3.14Å; E10-Q14 VanDerWaalsContact OE1-NE2 3.12Å; K11-Q14 PolarHBondContact O-N 2.97Å; Q14-E17 PolarHBondContact O-N 3.28Å; Q14-K18 VanDerWaalsContact O-CB 3.3Å; Q14-K18 WeakPolarHBondContact O-CB 3.24Å; Q14-K18 PolarHBondContact O-N 3.35Å
15F98.3Very high97.5Very high18 Ų1860.3 Ų60.38%0.07930%0.298CS..Hα-helixtrans-62.1-44.5174.1-178.8-86000111.8K11 L12 K13 K18 K19 G20 E62 L63 M66 W324K11-F15 WeakPolarHBondContact O-CB 3.09Å; K11-F15 PolarHBondContact O-N 3.35Å; L12-F15 WeakPolarHBondContact O-CB 3.48Å; L12-F15 PolarHBondContact O-N 3.45Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; F15-K18 PolarHBondContact O-N 2.79Å; F15-K19 HydrophobicContact CE2-CB 4.43Å; F15-K19 HydrophobicContact CE2-CD 3.76Å; F15-K19 HydrophobicContact CE2-CG 4.42Å; F15-K19 HydrophobicContact CZ-CB 4.37Å; F15-K19 HydrophobicContact CZ-CD 3.76Å; F15-K19 HydrophobicContact CZ-CG 4.11Å; F15-K19 PolarHBondContact O-N 3.37Å; F15-G20 PolarHBondContact O-N 3.06Å; F15-E62 HydrophobicContact CE2-CG 4.12Å; F15-E62 WeakPolarHBondContact CE2-OE2 3.46Å; F15-L63 HydrophobicContact CD1-CD1 3.96Å; F15-L63 HydrophobicContact CE1-CB 3.93Å; F15-L63 HydrophobicContact CE1-CD1 4.05Å; F15-L63 HydrophobicContact CE1-CD2 4.17Å; F15-L63 HydrophobicContact CE1-CG 4.27Å; F15-L63 HydrophobicContact CZ-CB 4.11Å; F15-M66 HydrophobicContact CB-CE 3.85Å; F15-M66 HydrophobicContact CB-SD 4.12Å; F15-M66 HydrophobicContact CD2-SD 3.89Å; F15-M66 HydrophobicContact CG-CE 4.43Å; F15-M66 HydrophobicContact CG-SD 4.06Å; F15-W324 HydrophobicContact CD1-CH2 4.24Å
16Y98.3Very high97.5Very high56 Ų5660.4 Ų60.422%0.2229%0.292CS..Hα-helixtrans-58.5-49.5176.6175.3-99.9000112.1L12 K13 K18 G20 S21 W324 F328 F329L12-Y16 WeakPolarHBondContact O-CB 3.41Å; L12-Y16 PolarHBondContact O-N 2.92Å; K13-Y16 WeakPolarHBondContact O-CB 3.2Å; K13-Y16 PolarHBondContact O-N 3.47Å; K13-Y16 VanDerWaalsContact O-N 3.17Å; Y16-K18 VanDerWaalsContact C-N 3.33Å; Y16-K18 PolarHBondContact O-N 3.37Å; Y16-G20 PolarHBondContact O-N 3.33Å; Y16-S21 WeakPolarHBondContact O-CB 3.39Å; Y16-S21 PolarHBondContact O-N 3.17Å; Y16-S21 PolarHBondContact O-OG 3.44Å; Y16-W324 AromaticContact CD2-CH2 3.5Å; Y16-W324 HydrophobicContact CD2-CH2 3.5Å; Y16-W324 VanDerWaalsContact CD2-CH2 3.5Å; Y16-W324 AromaticContact CD2-CZ2 3.92Å; Y16-W324 HydrophobicContact CD2-CZ2 3.92Å; Y16-W324 HydrophobicContact CD2-CZ3 4.07Å; Y16-W324 HydrophobicContact CG-CH2 4.05Å; Y16-W324 HydrophobicContact CG-CZ3 4.41Å; Y16-F328 HydrophobicContact CD1-CB 4.48Å; Y16-F328 HydrophobicContact CD2-CB 3.8Å; Y16-F328 WeakPolarHBondContact CE1-O 3.49Å; Y16-F328 HydrophobicContact CE2-CB 4.23Å; Y16-F328 HydrophobicContact CG-CB 3.94Å; Y16-F328 PolarHBondContact OH-O 3.43Å; Y16-F329 HydrophobicContact CD2-CD2 4.37Å; Y16-F329 HydrophobicContact CD2-CE2 4.12Å; Y16-F329 HydrophobicContact CE2-CD1 4.12Å; Y16-F329 AromaticContact CE2-CD2 3.77Å; Y16-F329 HydrophobicContact CE2-CD2 3.77Å; Y16-F329 HydrophobicContact CE2-CE1 4.05Å; Y16-F329 AromaticContact CE2-CE2 3.69Å; Y16-F329 HydrophobicContact CE2-CE2 3.69Å; Y16-F329 AromaticContact CE2-CG 3.99Å; Y16-F329 HydrophobicContact CE2-CG 3.99Å; Y16-F329 AromaticContact CE2-CZ 3.84Å; Y16-F329 HydrophobicContact CE2-CZ 3.84Å
17E97.7Very high97.5Very high112 Ų11264.8 Ų64.852%0.52332%0.316SS..Hα-helixtrans-62.3-39.7179.8-70.1172.1179.900111.8K13 Q14K13-E17 VanDerWaalsContact CE-OE1 3.32Å; K13-E17 WeakPolarHBondContact CE-OE1 3.31Å; K13-E17 WeakPolarHBondContact O-CG 3.38Å; K13-E17 PolarHBondContact O-N 3.47Å; Q14-E17 PolarHBondContact O-N 3.28Å
18K97.2Very high97.5Very high172 Ų17261.8 Ų61.875%0.74830%0.295SS*.Hα-helixtrans-78.9-48.2-177.2-171.9177.3179.1-177.40113.3Q14 F15 Y16 K22Q14-K18 VanDerWaalsContact O-CB 3.3Å; Q14-K18 WeakPolarHBondContact O-CB 3.24Å; Q14-K18 PolarHBondContact O-N 3.35Å; F15-K18 PolarHBondContact O-N 2.79Å; Y16-K18 VanDerWaalsContact C-N 3.33Å; Y16-K18 PolarHBondContact O-N 3.37Å; K18-K22 PolarHBondContact O-NZ 3.32Å
19K96.3Very high97.4Very high77 Ų7762.8 Ų62.834%0.33530%0.298SS..THydrogen-bonded Turntrans-132.7-47.1-165.6179.7177.3162.9-164.40113F15 S21 K22 L23 D60 E62F15-K19 HydrophobicContact CE2-CB 4.43Å; F15-K19 HydrophobicContact CE2-CD 3.76Å; F15-K19 HydrophobicContact CE2-CG 4.42Å; F15-K19 HydrophobicContact CZ-CB 4.37Å; F15-K19 HydrophobicContact CZ-CD 3.76Å; F15-K19 HydrophobicContact CZ-CG 4.11Å; F15-K19 PolarHBondContact O-N 3.37Å; K19-S21 PolarHBondContact O-N 3.35Å; K19-K22 PolarHBondContact O-N 2.96Å; K19-L23 HydrophobicContact CG-CD2 4.34Å; K19-D60 WeakPolarHBondContact CE-OD2 3.4Å; K19-D60 IonicContact NZ-OD2 2.71Å; K19-D60 PolarHBondContact NZ-OD2 3.19Å; K19-E62 IonicContact NZ-OE2 3.72Å; K19-E62 PolarHBondContact NZ-OE2 3.19Å
20G94.6Very high97.4Very high0 Ų070 Ų700%033%0.33CS..G310 helixtrans-58.7-40.7-169.500000114.6F15 Y16 K22 L23F15-G20 PolarHBondContact O-N 3.06Å; Y16-G20 PolarHBondContact O-N 3.33Å; G20-K22 PolarHBondContact O-N 3.17Å; G20-L23 WeakPolarHBondContact O-CG 3.33Å; G20-L23 PolarHBondContact O-N 3Å
21S95.2Very high97.3Very high52 Ų5271.3 Ų71.336%0.36435%0.346SS..G310 helixtrans-65.9-13.9177.155.30000114.6Y16 K19Y16-S21 WeakPolarHBondContact O-CB 3.39Å; Y16-S21 PolarHBondContact O-N 3.17Å; Y16-S21 PolarHBondContact O-OG 3.44Å; K19-S21 PolarHBondContact O-N 3.35Å
22K96Very high97.3Very high157 Ų15767.2 Ų67.268%0.68333%0.33SS*.G310 helixtrans-109.64.1-176.6-58.8171.8-171.9160.30113K18 K19 G20K18-K22 PolarHBondContact O-NZ 3.32Å; K19-K22 PolarHBondContact O-N 2.96Å; G20-K22 PolarHBondContact O-N 3.17Å
23L96.9Very high97.2Very high21 Ų2172.7 Ų72.711%0.1137%0.365CS..  trans-62.9142.3179.4-69176.3000110.9K19 G20 M28 L58 N469K19-L23 HydrophobicContact CG-CD2 4.34Å; G20-L23 WeakPolarHBondContact O-CG 3.33Å; G20-L23 PolarHBondContact O-N 3Å; L23-M28 HydrophobicContact CB-SD 4.14Å; L23-M28 HydrophobicContact CD1-CE 4.3Å; L23-M28 HydrophobicContact CD2-CE 4.24Å; L23-M28 HydrophobicContact CD2-SD 4.3Å; L23-L58 HydrophobicContact CB-CB 4.37Å; L23-L58 HydrophobicContact CB-CD2 3.79Å; L23-L58 WeakPolarHBondContact CD1-O 3.42Å; L23-L58 VanDerWaalsContact O-CD2 3.26Å; L23-L58 WeakPolarHBondContact O-CD2 3.35Å; L23-N469 PolarHBondContact O-ND2 2.85Å
24S97.4Very high97.1Very high33 Ų3373 Ų7323%0.23137%0.371CS..  trans-126.8112.4179.4164.70000108.1V26 D27 M28S24-V26 VanDerWaalsContact C-N 3.26Å; S24-V26 PolarHBondContact O-N 2.82Å; S24-D27 WeakPolarHBondContact CB-OD2 3.46Å; S24-D27 PolarHBondContact O-N 2.96Å; S24-D27 PolarHBondContact OG-N 3.41Å; S24-D27 PolarHBondContact OG-OD2 2.94Å; S24-M28 WeakPolarHBondContact O-CG 3.13Å; S24-M28 PolarHBondContact O-N 3.28Å
25M97.3Very high97.1Very high0 Ų068.4 Ų68.40%035%0.349CS..Hα-helixtrans-60.4-39.3-178-71.7-173.4-75.500111.7D27 M28 F29 K56 L58 M435 N469 R470M25-D27 VanDerWaalsContact C-N 3.31Å; M25-D27 PolarHBondContact O-N 2.74Å; M25-M28 WeakPolarHBondContact O-CB 3.23Å; M25-M28 PolarHBondContact O-N 3.01Å; M25-M28 VanDerWaalsContact O-N 3.15Å; M25-F29 VanDerWaalsContact O-CD2 3.28Å; M25-F29 WeakPolarHBondContact O-CD2 3.38Å; M25-F29 PolarHBondContact O-N 3.35Å; M25-K56 HydrophobicContact SD-CB 4.36Å; M25-L58 HydrophobicContact CG-CD2 3.75Å; M25-L58 HydrophobicContact CG-CG 4.24Å; M25-M435 HydrophobicContact CB-CG 3.83Å; M25-M435 HydrophobicContact CE-CG 4.45Å; M25-N469 PolarHBondContact N-OD1 3.39Å; M25-R470 WeakPolarHBondContact CE-O 3.4Å
26V97.3Very high97.1Very high63 Ų6371.4 Ų71.438%0.38236%0.362SS..Hα-helixtrans-57.5-46.3177.2175.10000110.9S24 M28 K30S24-V26 VanDerWaalsContact C-N 3.26Å; S24-V26 PolarHBondContact O-N 2.82Å; V26-M28 VanDerWaalsContact C-N 3.35Å; V26-K30 WeakPolarHBondContact O-CB 3.44Å; V26-K30 PolarHBondContact O-N 3.12Å
27D97.5Very high97.1Very high95 Ų9573.5 Ų73.551%0.50838%0.377SS..Hα-helixtrans-67.9-37.4178.2-63.9-45.4000111.6S24 M25 K30 S31S24-D27 WeakPolarHBondContact CB-OD2 3.46Å; S24-D27 PolarHBondContact O-N 2.96Å; S24-D27 PolarHBondContact OG-N 3.41Å; S24-D27 PolarHBondContact OG-OD2 2.94Å; M25-D27 VanDerWaalsContact C-N 3.31Å; M25-D27 PolarHBondContact O-N 2.74Å; D27-K30 PolarHBondContact O-N 3.27Å; D27-S31 VanDerWaalsContact O-CB 3.29Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.41Å; D27-S31 PolarHBondContact O-OG 2.67Å; D27-S31 VanDerWaalsContact O-OG 3.11Å
28M97.9Very high97.1Very high18 Ų1872.2 Ų72.29%0.08937%0.37CS..Hα-helixtrans-62.3-47.3177.5-66.4165.692.900111.6L23 S24 M25 V26 K30 S31 D32 V59 D60L23-M28 HydrophobicContact CB-SD 4.14Å; L23-M28 HydrophobicContact CD1-CE 4.3Å; L23-M28 HydrophobicContact CD2-CE 4.24Å; L23-M28 HydrophobicContact CD2-SD 4.3Å; S24-M28 WeakPolarHBondContact O-CG 3.13Å; S24-M28 PolarHBondContact O-N 3.28Å; M25-M28 WeakPolarHBondContact O-CB 3.23Å; M25-M28 PolarHBondContact O-N 3.01Å; M25-M28 VanDerWaalsContact O-N 3.15Å; V26-M28 VanDerWaalsContact C-N 3.35Å; M28-K30 VanDerWaalsContact C-N 3.35Å; M28-S31 PolarHBondContact O-N 3.33Å; M28-S31 PolarHBondContact O-OG 2.89Å; M28-D32 PolarHBondContact O-N 2.72Å; M28-V59 WeakPolarHBondContact CE-O 3.36Å; M28-D60 HydrophobicContact CE-CB 3.96Å
29F98.2Very high97.1Very high54 Ų5464.2 Ų64.224%0.23734%0.336CS..Hα-helixtrans-64.4-38.1174.4-84.4-82.7000112.4M25 D32 R35 S55 K56 M435M25-F29 VanDerWaalsContact O-CD2 3.28Å; M25-F29 WeakPolarHBondContact O-CD2 3.38Å; M25-F29 PolarHBondContact O-N 3.35Å; F29-D32 CarbonylContact O-C 3.49Å; F29-R35 HydrophobicContact CD1-CB 4.11Å; F29-R35 HydrophobicContact CD1-CG 4.33Å; F29-R35 HydrophobicContact CE1-CB 4.22Å; F29-R35 HydrophobicContact CE1-CG 4.17Å; F29-R35 HydrophobicContact CZ-CG 4.43Å; F29-S55 WeakPolarHBondContact CE2-O 3.35Å; F29-S55 VanDerWaalsContact CZ-OG 3.31Å; F29-S55 WeakPolarHBondContact CZ-OG 3.48Å; F29-K56 HydrophobicContact CE2-CG 4.03Å; F29-K56 HydrophobicContact CZ-CG 3.9Å; F29-M435 HydrophobicContact CD2-SD 3.44Å; F29-M435 WeakPolarHBondContact CD2-SD 3.41Å; F29-M435 HydrophobicContact CE2-SD 3.41Å; F29-M435 WeakPolarHBondContact CE2-SD 3.37Å; F29-M435 HydrophobicContact CG-SD 4.28Å; F29-M435 HydrophobicContact CZ-SD 4.19Å
30K97.4Very high97.2Very high171 Ų17162.4 Ų62.474%0.74333%0.328SS*.Hα-helixtrans-65.8-38.7176.8-174.4179178.2-177.30112.3V26 D27 M28V26-K30 WeakPolarHBondContact O-CB 3.44Å; V26-K30 PolarHBondContact O-N 3.12Å; D27-K30 PolarHBondContact O-N 3.27Å; M28-K30 VanDerWaalsContact C-N 3.35Å
31S97Very high97.4Very high96 Ų9664 Ų6467%0.67134%0.335SS*.Hα-helixtrans-78.5-22.1-17969.40000113.8D27 M28D27-S31 VanDerWaalsContact O-CB 3.29Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.41Å; D27-S31 PolarHBondContact O-OG 2.67Å; D27-S31 VanDerWaalsContact O-OG 3.11Å; M28-S31 PolarHBondContact O-N 3.33Å; M28-S31 PolarHBondContact O-OG 2.89Å
32D97.4Very high97.6Very high28 Ų2866.2 Ų66.215%0.1534%0.343CS..  trans-13488.5-177.1-174.612.6000110.6M28 F29 N34 R35 K38M28-D32 PolarHBondContact O-N 2.72Å; F29-D32 CarbonylContact O-C 3.49Å; D32-N34 PolarHBondContact O-N 3.11Å; D32-N34 VanDerWaalsContact O-N 3.09Å; D32-N34 PolarHBondContact OD1-N 2.9Å; D32-R35 HydrophobicContact CB-CB 4.2Å; D32-R35 WeakPolarHBondContact O-CB 3.23Å; D32-R35 PolarHBondContact O-N 3.4Å; D32-K38 IonicContact OD1-NZ 3.33Å; D32-K38 PolarHBondContact OD1-NZ 3.36Å; D32-K38 WeakPolarHBondContact OD2-CD 3.46Å; D32-K38 IonicContact OD2-NZ 3.68Å; D32-K38 PolarHBondContact OD2-NZ 2.81Å
33P96.5Very high97.7Very high115 Ų11559.4 Ų59.475%0.74731%0.313SS*.THydrogen-bonded Turntrans-57.7-24.7178.6-25.935000113.8R35P33-R35 VanDerWaalsContact C-N 3.33Å
34N97Very high97.8Very high93 Ų9360.8 Ų60.850%0.49733%0.333SS..THydrogen-bonded Turntrans-96.520.1179.3-59.1-31.6000112.2D32 F36 D37 K38D32-N34 PolarHBondContact O-N 3.11Å; D32-N34 VanDerWaalsContact O-N 3.09Å; D32-N34 PolarHBondContact OD1-N 2.9Å; N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 2.92Å; N34-D37 PolarHBondContact O-N 2.94Å; N34-K38 PolarHBondContact O-N 2.91Å
35R98.1Very high97.8Very high5 Ų560.1 Ų60.12%0.01933%0.327CS..Hα-helixtrans-58.5-42.2-179-177.3175.8177.472.32.4112F29 D32 P33 D37 K38 F39 S55 H57 V59F29-R35 HydrophobicContact CD1-CB 4.11Å; F29-R35 HydrophobicContact CD1-CG 4.33Å; F29-R35 HydrophobicContact CE1-CB 4.22Å; F29-R35 HydrophobicContact CE1-CG 4.17Å; F29-R35 HydrophobicContact CZ-CG 4.43Å; D32-R35 HydrophobicContact CB-CB 4.2Å; D32-R35 WeakPolarHBondContact O-CB 3.23Å; D32-R35 PolarHBondContact O-N 3.4Å; P33-R35 VanDerWaalsContact C-N 3.33Å; R35-D37 VanDerWaalsContact C-N 3.31Å; R35-D37 PolarHBondContact O-N 3.46Å; R35-K38 PolarHBondContact O-N 2.77Å; R35-F39 HydrophobicContact CG-CD2 3.75Å; R35-F39 HydrophobicContact CG-CE2 4.21Å; R35-F39 VanDerWaalsContact O-CD2 3.26Å; R35-F39 WeakPolarHBondContact O-CD2 3.37Å; R35-F39 PolarHBondContact O-N 2.99Å; R35-F39 VanDerWaalsContact O-N 3.07Å; R35-S55 PolarHBondContact NE-O 3.35Å; R35-S55 PolarHBondContact NH2-O 2.98Å; R35-H57 PolarHBondContact NH2-O 2.96Å; R35-V59 PolarHBondContact NH1-O 3.26Å; R35-V59 VanDerWaalsContact NH1-O 3.12Å; R35-V59 PolarHBondContact NH2-O 3.03Å
36F98.4Very high97.9Very high81 Ų8164.8 Ų64.836%0.35536%0.358SS..Hα-helixtrans-55.7-47.4176.3171.2-98.3000111.6N34 K38 F39 H40 L51 D53N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 2.92Å; F36-K38 PolarHBondContact O-N 2.96Å; F36-F39 CarbonylContact O-C 3.53Å; F36-F39 PolarHBondContact O-N 3.37Å; F36-F39 VanDerWaalsContact O-N 3.13Å; F36-H40 HydrophobicContact CD2-CB 4.43Å; F36-H40 AromaticContact CE1-ND1 3.85Å; F36-H40 HydrophobicContact CE2-CB 4Å; F36-H40 HydrophobicContact CZ-CB 4.16Å; F36-H40 AromaticContact CZ-CG 3.94Å; F36-H40 PolarHBondContact O-N 2.97Å; F36-H40 PolarHBondContact O-ND1 3.42Å; F36-L51 HydrophobicContact CE2-CD1 4.27Å; F36-L51 HydrophobicContact CE2-CD2 4.36Å; F36-L51 HydrophobicContact CZ-CD1 4Å; F36-L51 HydrophobicContact CZ-CD2 4.29Å; F36-D53 HydrophobicContact CE2-CB 4.16Å
37D97.5Very high97.8Very high100 Ų10065.6 Ų65.654%0.53536%0.36SS..Hα-helixtrans-62.5-28.8-178.1-61.8-33.5000113N34 R35N34-D37 PolarHBondContact O-N 2.94Å; R35-D37 VanDerWaalsContact C-N 3.31Å; R35-D37 PolarHBondContact O-N 3.46Å
38K97.5Very high97.8Very high85 Ų8562.6 Ų62.637%0.3735%0.351SS..Hα-helixtrans-84-25.9178.5-68.7165.2178.6172.80113.8D32 N34 R35 F36D32-K38 IonicContact OD1-NZ 3.33Å; D32-K38 PolarHBondContact OD1-NZ 3.36Å; D32-K38 WeakPolarHBondContact OD2-CD 3.46Å; D32-K38 IonicContact OD2-NZ 3.68Å; D32-K38 PolarHBondContact OD2-NZ 2.81Å; N34-K38 PolarHBondContact O-N 2.91Å; R35-K38 PolarHBondContact O-N 2.77Å; F36-K38 PolarHBondContact O-N 2.96Å
39F98.5Very high97.8Very high5 Ų564.6 Ų64.62%0.02237%0.367CS..SBendtrans-126.340.1-169.5-63.1-88.6000112R35 F36 Y54 S55 V59 Q61 M64R35-F39 HydrophobicContact CG-CD2 3.75Å; R35-F39 HydrophobicContact CG-CE2 4.21Å; R35-F39 VanDerWaalsContact O-CD2 3.26Å; R35-F39 WeakPolarHBondContact O-CD2 3.37Å; R35-F39 PolarHBondContact O-N 2.99Å; R35-F39 VanDerWaalsContact O-N 3.07Å; F36-F39 CarbonylContact O-C 3.53Å; F36-F39 PolarHBondContact O-N 3.37Å; F36-F39 VanDerWaalsContact O-N 3.13Å; F39-Y54 HydrophobicContact CB-CD2 4.03Å; F39-Y54 HydrophobicContact CB-CE2 3.88Å; F39-Y54 HydrophobicContact CD1-CD2 4.1Å; F39-Y54 AromaticContact CD1-CE2 3.63Å; F39-Y54 HydrophobicContact CD1-CE2 3.63Å; F39-Y54 HydrophobicContact CG-CE2 4.22Å; F39-Y54 CarbonylContact O-C 3.48Å; F39-Y54 WeakPolarHBondContact O-CD1 3.29Å; F39-Y54 WeakPolarHBondContact O-CE1 3.34Å; F39-Y54 PolarHBondContact O-N 3.47Å; F39-S55 PolarHBondContact O-N 3.38Å; F39-S55 VanDerWaalsContact O-N 3.1Å; F39-V59 HydrophobicContact CD1-CG2 4.1Å; F39-V59 HydrophobicContact CE1-CG2 4.08Å; F39-Q61 HydrophobicContact CE2-CG 4.36Å; F39-Q61 HydrophobicContact CZ-CG 3.84Å; F39-M64 HydrophobicContact CD1-CG 4.45Å; F39-M64 HydrophobicContact CE1-CG 3.88Å
40H98.6Very high97.8Very high38 Ų3862.1 Ų62.118%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-130.6162.7165.281-82.8000110.9F36 L51 I52F36-H40 HydrophobicContact CD2-CB 4.43Å; F36-H40 AromaticContact CE1-ND1 3.85Å; F36-H40 HydrophobicContact CE2-CB 4Å; F36-H40 HydrophobicContact CZ-CB 4.16Å; F36-H40 AromaticContact CZ-CG 3.94Å; F36-H40 PolarHBondContact O-N 2.97Å; F36-H40 PolarHBondContact O-ND1 3.42Å; H40-L51 HydrophobicContact CB-CD1 3.87Å; H40-I52 CarbonylContact C-O 3.57Å; H40-I52 WeakPolarHBondContact CA-O 3.48Å
41Q98.7Very high97.9Very high33 Ų3355.9 Ų55.915%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-130.7153.2165.9-65.4-57.7-6100109.8I52 Y54 R312 I314 I317Q41-I52 PolarHBondContact N-O 2.89Å; Q41-I52 PolarHBondContact O-N 2.94Å; Q41-Y54 HydrophobicContact CG-CE1 4.09Å; Q41-R312 PolarHBondContact OE1-O 2.94Å; Q41-I314 HydrophobicContact CB-CD1 4.02Å; Q41-I314 HydrophobicContact CB-CG1 3.56Å; Q41-I314 HydrophobicContact CG-CG1 3.91Å; Q41-I317 HydrophobicContact CG-CD1 3.83Å
42L98.7Very high98Very high99 Ų9951.5 Ų51.552%0.51830%0.3SS..EExtended strand (participates in β ladder)trans-116.8134.3171.7-65.6173.8000109.3I50 L51L42-I50 WeakPolarHBondContact CA-O 3.29Å; L42-L51 HydrophobicContact CD2-CB 4.04Å; L42-L51 HydrophobicContact CD2-CD1 3.8Å
43F98.8Very high98.1Very high14 Ų1450.7 Ų50.76%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-118.6113.1171.9178.4-95.9000109.4T45 S49 I50 A300 M301 H304 I314 A487F43-T45 HydrophobicContact CD1-CG2 3.79Å; F43-T45 HydrophobicContact CE1-CG2 3.89Å; F43-S49 CarbonylContact O-C 3.44Å; F43-S49 VanDerWaalsContact O-CA 3.32Å; F43-S49 WeakPolarHBondContact O-CA 3.36Å; F43-I50 HydrophobicContact CB-CB 4.32Å; F43-I50 HydrophobicContact CD1-CD1 4.08Å; F43-I50 PolarHBondContact N-O 3.42Å; F43-I50 PolarHBondContact O-N 3.14Å; F43-A300 HydrophobicContact CZ-CB 3.8Å; F43-M301 HydrophobicContact CB-CE 4.48Å; F43-M301 HydrophobicContact CD1-CE 3.88Å; F43-M301 HydrophobicContact CD2-CE 3.65Å; F43-M301 HydrophobicContact CD2-SD 4.44Å; F43-M301 HydrophobicContact CE1-CE 3.94Å; F43-M301 HydrophobicContact CE2-CE 3.72Å; F43-M301 HydrophobicContact CE2-SD 4.3Å; F43-M301 HydrophobicContact CG-CE 3.73Å; F43-M301 HydrophobicContact CZ-CB 4.33Å; F43-M301 HydrophobicContact CZ-CE 3.86Å; F43-H304 HydrophobicContact CD2-CB 4.17Å; F43-H304 HydrophobicContact CE2-CB 3.78Å; F43-I314 HydrophobicContact CB-CD1 3.68Å; F43-I314 HydrophobicContact CD2-CD1 4.46Å; F43-I314 HydrophobicContact CG-CD1 4.46Å; F43-A487 HydrophobicContact CD1-CB 4.45Å; F43-A487 HydrophobicContact CE1-CB 3.72Å; F43-A487 HydrophobicContact CZ-CB 4.36Å
44G98.3Very high98.2Very high51 Ų5145.7 Ų45.753%0.52626%0.262SS..EExtended strand (participates in β ladder)trans-70.1134.1-178.500000112.4
45T98.1Very high98.2Very high18 Ų1841.3 Ų41.311%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-130164.9171.982.80000109.9F43 D47 G48 I50 Y483 T484F43-T45 HydrophobicContact CD1-CG2 3.79Å; F43-T45 HydrophobicContact CE1-CG2 3.89Å; T45-D47 PolarHBondContact O-N 3.43Å; T45-D47 PolarHBondContact OG1-N 3.43Å; T45-G48 WeakPolarHBondContact CA-O 3.32Å; T45-G48 VanDerWaalsContact CB-O 3.27Å; T45-G48 WeakPolarHBondContact CB-O 3.36Å; T45-G48 PolarHBondContact N-O 3.29Å; T45-G48 PolarHBondContact O-N 2.82Å; T45-G48 VanDerWaalsContact O-N 3.13Å; T45-G48 PolarHBondContact OG1-N 2.97Å; T45-G48 PolarHBondContact OG1-O 3.35Å; T45-I50 HydrophobicContact CG2-CD1 3.89Å; T45-I50 HydrophobicContact CG2-CG1 3.91Å; T45-Y483 HydrophobicContact CG2-CD1 4.15Å; T45-Y483 HydrophobicContact CG2-CE1 3.81Å; T45-T484 HydrophobicContact CG2-CG2 4.17Å
46P97.6Very high98.3Very high99 Ų9942.6 Ų42.664%0.64324%0.244SC*.THydrogen-bonded Turntrans-57.3-26.2173.8-26.135.8000114.2Y483P46-Y483 VanDerWaalsContact CD-CE1 3.41Å; P46-Y483 VanDerWaalsContact CD-CZ 3.45Å; P46-Y483 HydrophobicContact CG-CD2 4.05Å; P46-Y483 HydrophobicContact CG-CE1 4.46Å; P46-Y483 HydrophobicContact CG-CE2 3.93Å; P46-Y483 HydrophobicContact CG-CG 4.33Å
47D95.5Very high98.3Very high80 Ų8038.8 Ų38.843%0.42823%0.228SC..THydrogen-bonded Turntrans-92.9-1.3-178-56.1-60.2000112.8T45 P478 T481 T484T45-D47 PolarHBondContact O-N 3.43Å; T45-D47 PolarHBondContact OG1-N 3.43Å; D47-P478 HydrophobicContact CB-CB 4.28Å; D47-P478 HydrophobicContact CB-CG 3.98Å; D47-P478 WeakPolarHBondContact O-CB 3.32Å; D47-T481 WeakPolarHBondContact OD2-CB 3.36Å; D47-T481 VanDerWaalsContact OD2-CG2 3.24Å; D47-T481 WeakPolarHBondContact OD2-CG2 3.28Å; D47-T481 PolarHBondContact OD2-OG1 3.01Å; D47-T484 HydrophobicContact CB-CG2 4.43Å
48G97.6Very high98.3Very high31 Ų3134.1 Ų34.132%0.3220%0.203SC..EExtended strand (participates in β ladder)trans125.1-175.5-172.200000112.5T45T45-G48 WeakPolarHBondContact CA-O 3.32Å; T45-G48 VanDerWaalsContact CB-O 3.27Å; T45-G48 WeakPolarHBondContact CB-O 3.36Å; T45-G48 PolarHBondContact N-O 3.29Å; T45-G48 PolarHBondContact O-N 2.82Å; T45-G48 VanDerWaalsContact O-N 3.13Å; T45-G48 PolarHBondContact OG1-N 2.97Å; T45-G48 PolarHBondContact OG1-O 3.35Å
49S98.4Very high98.3Very high60 Ų6030.1 Ų30.142%0.4219%0.185SC..EExtended strand (participates in β ladder)trans-88.4137.8-179.3-63.70000111.9F43F43-S49 CarbonylContact O-C 3.44Å; F43-S49 VanDerWaalsContact O-CA 3.32Å; F43-S49 WeakPolarHBondContact O-CA 3.36Å
50I98.8Very high98.2Very high3 Ų331.1 Ų31.12%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-79.2122.6159.9-60.8171.3000107.4L42 F43 T45 I52 I475 V476 L477 A487L42-I50 WeakPolarHBondContact CA-O 3.29Å; F43-I50 HydrophobicContact CB-CB 4.32Å; F43-I50 HydrophobicContact CD1-CD1 4.08Å; F43-I50 PolarHBondContact N-O 3.42Å; F43-I50 PolarHBondContact O-N 3.14Å; T45-I50 HydrophobicContact CG2-CD1 3.89Å; T45-I50 HydrophobicContact CG2-CG1 3.91Å; I50-I52 HydrophobicContact CG2-CD1 3.82Å; I50-I52 HydrophobicContact CG2-CG1 4.45Å; I50-I475 HydrophobicContact CG2-CG2 4.07Å; I50-V476 CarbonylContact C-O 3.24Å; I50-V476 WeakPolarHBondContact CA-O 3.25Å; I50-L477 HydrophobicContact CB-CD2 4.46Å; I50-L477 HydrophobicContact CD1-CD2 4.02Å; I50-L477 HydrophobicContact CG1-CD2 3.93Å; I50-L477 HydrophobicContact CG2-CD2 3.77Å; I50-A487 HydrophobicContact CD1-CB 4.21Å
51L98.9Very high98Very high40 Ų4035.2 Ų35.221%0.20921%0.21CC..EExtended strand (participates in β ladder)trans-93.4131.4173168.768.7000109.6F36 H40 L42 I475 V476F36-L51 HydrophobicContact CE2-CD1 4.27Å; F36-L51 HydrophobicContact CE2-CD2 4.36Å; F36-L51 HydrophobicContact CZ-CD1 4Å; F36-L51 HydrophobicContact CZ-CD2 4.29Å; H40-L51 HydrophobicContact CB-CD1 3.87Å; L42-L51 HydrophobicContact CD2-CB 4.04Å; L42-L51 HydrophobicContact CD2-CD1 3.8Å; L51-I475 CarbonylContact O-C 3.48Å; L51-I475 WeakPolarHBondContact O-CA 3.29Å; L51-V476 HydrophobicContact CB-CB 4.22Å; L51-V476 HydrophobicContact CD2-CB 4.49Å; L51-V476 HydrophobicContact CD2-CG2 4.47Å; L51-V476 PolarHBondContact N-O 3.37Å; L51-V476 PolarHBondContact O-N 2.87Å
52I98.9Very high97.9Very high3 Ų338.9 Ų38.92%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-11795.6171.1-58.784.9000106.7H40 Q41 I50 I314 L318 T473 M491H40-I52 CarbonylContact C-O 3.57Å; H40-I52 WeakPolarHBondContact CA-O 3.48Å; Q41-I52 PolarHBondContact N-O 2.89Å; Q41-I52 PolarHBondContact O-N 2.94Å; I50-I52 HydrophobicContact CG2-CD1 3.82Å; I50-I52 HydrophobicContact CG2-CG1 4.45Å; I52-I314 HydrophobicContact CB-CG2 4.45Å; I52-I314 HydrophobicContact CD1-CD1 3.57Å; I52-I314 HydrophobicContact CD1-CG1 4.09Å; I52-I314 HydrophobicContact CD1-CG2 3.96Å; I52-I314 HydrophobicContact CG1-CG2 3.79Å; I52-I314 HydrophobicContact CG2-CG2 4.43Å; I52-L318 HydrophobicContact CG2-CD2 3.94Å; I52-L318 HydrophobicContact CG2-CG 4.48Å; I52-T473 HydrophobicContact CG2-CG2 4.01Å; I52-M491 HydrophobicContact CG1-SD 4.24Å
53D98.9Very high97.9Very high12 Ų1234.1 Ų34.16%0.06420%0.202CC..EExtended strand (participates in β ladder)trans-88.4112.1173.5172.124.1000109.5F36 S55 K56 T473 S474F36-D53 HydrophobicContact CE2-CB 4.16Å; D53-S55 WeakPolarHBondContact OD1-CB 3.47Å; D53-S55 PolarHBondContact OD1-N 3.24Å; D53-S55 PolarHBondContact OD1-OG 3.5Å; D53-S55 PolarHBondContact OD2-OG 3Å; D53-K56 IonicContact OD2-NZ 2.83Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å; D53-T473 WeakPolarHBondContact O-CA 3.21Å; D53-S474 PolarHBondContact N-O 2.85Å; D53-S474 PolarHBondContact O-N 2.96Å
54Y98.8Very high97.9Very high9 Ų934.1 Ų34.14%0.03520%0.202CC..  trans-115.520.2175.163.8-83.9000111.8F39 Q41 K56 H57 M64 I317 I321F39-Y54 HydrophobicContact CB-CD2 4.03Å; F39-Y54 HydrophobicContact CB-CE2 3.88Å; F39-Y54 HydrophobicContact CD1-CD2 4.1Å; F39-Y54 AromaticContact CD1-CE2 3.63Å; F39-Y54 HydrophobicContact CD1-CE2 3.63Å; F39-Y54 HydrophobicContact CG-CE2 4.22Å; F39-Y54 CarbonylContact O-C 3.48Å; F39-Y54 WeakPolarHBondContact O-CD1 3.29Å; F39-Y54 WeakPolarHBondContact O-CE1 3.34Å; F39-Y54 PolarHBondContact O-N 3.47Å; Q41-Y54 HydrophobicContact CG-CE1 4.09Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 3.17Å; Y54-H57 PolarHBondContact O-CD2 3.44Å; Y54-M64 HydrophobicContact CE2-CE 4.32Å; Y54-I317 HydrophobicContact CD1-CG2 4.03Å; Y54-I317 HydrophobicContact CD2-CG2 3.95Å; Y54-I317 HydrophobicContact CE1-CD1 4.35Å; Y54-I317 HydrophobicContact CE1-CG2 3.97Å; Y54-I317 HydrophobicContact CE2-CG2 3.83Å; Y54-I317 HydrophobicContact CG-CG2 4.03Å; Y54-I321 HydrophobicContact CD2-CD1 3.73Å; Y54-I321 HydrophobicContact CG-CD1 3.92Å
55S98.7Very high97.9Very high2 Ų233.3 Ų33.31%0.01419%0.194CC..THydrogen-bonded Turntrans-69.8-26.6179.466.70000113.2F29 R35 F39 D53 H57F29-S55 WeakPolarHBondContact CE2-O 3.35Å; F29-S55 VanDerWaalsContact CZ-OG 3.31Å; F29-S55 WeakPolarHBondContact CZ-OG 3.48Å; R35-S55 PolarHBondContact NE-O 3.35Å; R35-S55 PolarHBondContact NH2-O 2.98Å; F39-S55 PolarHBondContact O-N 3.38Å; F39-S55 VanDerWaalsContact O-N 3.1Å; D53-S55 WeakPolarHBondContact OD1-CB 3.47Å; D53-S55 PolarHBondContact OD1-N 3.24Å; D53-S55 PolarHBondContact OD1-OG 3.5Å; D53-S55 PolarHBondContact OD2-OG 3Å; S55-H57 PolarHBondContact O-N 2.7Å; S55-H57 VanDerWaalsContact O-N 3.13Å
56K98.8Very high97.9Very high32 Ų3234.3 Ų34.314%0.13920%0.198CC..THydrogen-bonded Turntrans-8643175-57.2-174.6-163.773.10112.5M25 F29 D53 Y54 M435 P471 T472M25-K56 HydrophobicContact SD-CB 4.36Å; F29-K56 HydrophobicContact CE2-CG 4.03Å; F29-K56 HydrophobicContact CZ-CG 3.9Å; D53-K56 IonicContact OD2-NZ 2.83Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 3.17Å; K56-M435 HydrophobicContact CD-CB 4.38Å; K56-M435 HydrophobicContact CD-SD 4.31Å; K56-M435 HydrophobicContact CG-SD 4.13Å; K56-P471 CarbonylContact O-C 3.15Å; K56-P471 VanDerWaalsContact O-CA 3.29Å; K56-P471 WeakPolarHBondContact O-CA 3.23Å; K56-T472 PolarHBondContact O-N 3.36Å
57H98.8Very high98Very high1 Ų129.6 Ų29.61%0.00517%0.168CC..SBendtrans-119155.5168.9-77.1-70.8000111.1R35 Y54 S55 V59 Y325 P471 T472 T473R35-H57 PolarHBondContact NH2-O 2.96Å; Y54-H57 PolarHBondContact O-CD2 3.44Å; S55-H57 PolarHBondContact O-N 2.7Å; S55-H57 VanDerWaalsContact O-N 3.13Å; H57-V59 HydrophobicContact CB-CG1 4.26Å; H57-V59 HydrophobicContact CB-CG2 3.9Å; H57-V59 PolarHBondContact O-N 2.82Å; H57-Y325 WeakPolarHBondContact CA-OH 3.42Å; H57-Y325 VanDerWaalsContact CB-OH 3.23Å; H57-Y325 WeakPolarHBondContact CB-OH 3.42Å; H57-Y325 AromaticContact CE1-CE2 3.77Å; H57-Y325 AromaticContact ND1-CE2 3.19Å; H57-Y325 WeakPolarHBondContact ND1-CE2 3.35Å; H57-Y325 AromaticContact ND1-CZ 3.41Å; H57-Y325 PolarHBondContact ND1-OH 2.98Å; H57-P471 WeakPolarHBondContact ND1-CB 3.49Å; H57-T472 VanDerWaalsContact NE2-C 3.27Å; H57-T472 PolarHBondContact NE2-O 3.26Å; H57-T473 PolarHBondContact NE2-N 3.23Å; H57-T473 PolarHBondContact NE2-OG1 3.18Å
58L98.4Very high98.1Very high2 Ų226.3 Ų26.31%0.0115%0.15CC..SBendtrans-75.559.9174.7-67.4168.4000110.9L23 M25 W324 Y325 F329 M399 N469L23-L58 HydrophobicContact CB-CB 4.37Å; L23-L58 HydrophobicContact CB-CD2 3.79Å; L23-L58 WeakPolarHBondContact CD1-O 3.42Å; L23-L58 VanDerWaalsContact O-CD2 3.26Å; L23-L58 WeakPolarHBondContact O-CD2 3.35Å; M25-L58 HydrophobicContact CG-CD2 3.75Å; M25-L58 HydrophobicContact CG-CG 4.24Å; L58-W324 PolarHBondContact O-NE1 3.49Å; L58-Y325 HydrophobicContact CB-CE1 4.49Å; L58-Y325 PolarHBondContact N-OH 3.11Å; L58-F329 HydrophobicContact CB-CZ 4.48Å; L58-F329 HydrophobicContact CD1-CE1 4.03Å; L58-F329 HydrophobicContact CD1-CE2 4.44Å; L58-F329 HydrophobicContact CD1-CZ 3.73Å; L58-M399 HydrophobicContact CD1-CE 4.12Å; L58-N469 WeakPolarHBondContact CD2-OD1 3.47Å
59V97.4Very high98.2Very high0 Ų029 Ų290%015%0.154CC..  trans-137.8140.4-176.7-56.70000112.5M28 R35 F39 H57 L63 M64M28-V59 WeakPolarHBondContact CE-O 3.36Å; R35-V59 PolarHBondContact NH1-O 3.26Å; R35-V59 VanDerWaalsContact NH1-O 3.12Å; R35-V59 PolarHBondContact NH2-O 3.03Å; F39-V59 HydrophobicContact CD1-CG2 4.1Å; F39-V59 HydrophobicContact CE1-CG2 4.08Å; H57-V59 HydrophobicContact CB-CG1 4.26Å; H57-V59 HydrophobicContact CB-CG2 3.9Å; H57-V59 PolarHBondContact O-N 2.82Å; V59-L63 HydrophobicContact CB-CD2 4.19Å; V59-L63 HydrophobicContact CG1-CD2 3.93Å; V59-M64 HydrophobicContact CB-CG 4.32Å; V59-M64 HydrophobicContact CB-SD 4.12Å; V59-M64 HydrophobicContact CG1-SD 4.33Å; V59-M64 HydrophobicContact CG2-CG 4.34Å; V59-M64 HydrophobicContact CG2-SD 4.13Å
60D95.1Very high98.2Very high27 Ų2726.1 Ų26.114%0.14413%0.134CC..  trans-119.1178.5169.664.514.7000110.7K19 M28 E62 L63 M64K19-D60 WeakPolarHBondContact CE-OD2 3.4Å; K19-D60 IonicContact NZ-OD2 2.71Å; K19-D60 PolarHBondContact NZ-OD2 3.19Å; M28-D60 HydrophobicContact CE-CB 3.96Å; D60-E62 VanDerWaalsContact C-N 3.29Å; D60-E62 PolarHBondContact O-N 2.97Å; D60-E62 PolarHBondContact OD1-N 2.82Å; D60-L63 PolarHBondContact O-N 3.39Å; D60-L63 WeakPolarHBondContact OD1-CB 3.32Å; D60-L63 PolarHBondContact OD1-N 3.24Å; D60-M64 WeakPolarHBondContact O-CG 3.39Å; D60-M64 PolarHBondContact O-N 3.31Å
61Q95.3Very high98.2Very high124 Ų12426 Ų2658%0.57913%0.133SC*.Hα-helixtrans-65.2-35.7-176.3-69.9-176.7-26.500112.1F39 M64 G65F39-Q61 HydrophobicContact CE2-CG 4.36Å; F39-Q61 HydrophobicContact CZ-CG 3.84Å; Q61-M64 PolarHBondContact O-N 3.47Å; Q61-G65 PolarHBondContact O-N 3.46Å
62E96.8Very high98.2Very high109 Ų10927.8 Ų27.851%0.50914%0.139SC..Hα-helixtrans-60.7-52.3175.6-178.5-176.1-170.300110.1F15 K19 D60 M64 G65 M66F15-E62 HydrophobicContact CE2-CG 4.12Å; F15-E62 WeakPolarHBondContact CE2-OE2 3.46Å; K19-E62 IonicContact NZ-OE2 3.72Å; K19-E62 PolarHBondContact NZ-OE2 3.19Å; D60-E62 VanDerWaalsContact C-N 3.29Å; D60-E62 PolarHBondContact O-N 2.97Å; D60-E62 PolarHBondContact OD1-N 2.82Å; E62-M64 PolarHBondContact O-N 2.94Å; E62-G65 PolarHBondContact O-N 2.93Å; E62-M66 HydrophobicContact CG-SD 4.49Å; E62-M66 WeakPolarHBondContact O-CG 3.48Å; E62-M66 PolarHBondContact O-N 3.21Å
63L97.8Very high98.2Very high0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-62-43.4178.3178.158.7000112.3L12 F15 V59 D60 G65 M66 L67 W324L12-L63 HydrophobicContact CD2-CD1 3.35Å; F15-L63 HydrophobicContact CD1-CD1 3.96Å; F15-L63 HydrophobicContact CE1-CB 3.93Å; F15-L63 HydrophobicContact CE1-CD1 4.05Å; F15-L63 HydrophobicContact CE1-CD2 4.17Å; F15-L63 HydrophobicContact CE1-CG 4.27Å; F15-L63 HydrophobicContact CZ-CB 4.11Å; V59-L63 HydrophobicContact CB-CD2 4.19Å; V59-L63 HydrophobicContact CG1-CD2 3.93Å; D60-L63 PolarHBondContact O-N 3.39Å; D60-L63 WeakPolarHBondContact OD1-CB 3.32Å; D60-L63 PolarHBondContact OD1-N 3.24Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 2.86Å; L63-M66 PolarHBondContact O-N 3.29Å; L63-M66 VanDerWaalsContact O-N 3.15Å; L63-L67 HydrophobicContact CD1-CD1 4.29Å; L63-L67 HydrophobicContact CD1-CG 4.19Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.07Å; L63-W324 HydrophobicContact CD1-CD2 4.49Å; L63-W324 HydrophobicContact CD1-CE3 4.13Å; L63-W324 HydrophobicContact CD1-CH2 4.2Å; L63-W324 HydrophobicContact CD1-CZ3 3.98Å; L63-W324 HydrophobicContact CD2-CD2 3.86Å; L63-W324 VanDerWaalsContact CD2-CE2 3.47Å; L63-W324 HydrophobicContact CD2-CE3 4.27Å; L63-W324 HydrophobicContact CD2-CG 4.38Å; L63-W324 HydrophobicContact CD2-CH2 4Å; L63-W324 HydrophobicContact CD2-CZ2 3.57Å; L63-W324 HydrophobicContact CD2-CZ3 4.35Å
64M98.4Very high98.2Very high13 Ų1329.9 Ų29.96%0.06415%0.153CC..Hα-helixtrans-61-40.1176.8-73-55.7-61.300111.6F39 Y54 V59 D60 Q61 E62 L67 I68 I317F39-M64 HydrophobicContact CD1-CG 4.45Å; F39-M64 HydrophobicContact CE1-CG 3.88Å; Y54-M64 HydrophobicContact CE2-CE 4.32Å; V59-M64 HydrophobicContact CB-CG 4.32Å; V59-M64 HydrophobicContact CB-SD 4.12Å; V59-M64 HydrophobicContact CG1-SD 4.33Å; V59-M64 HydrophobicContact CG2-CG 4.34Å; V59-M64 HydrophobicContact CG2-SD 4.13Å; D60-M64 WeakPolarHBondContact O-CG 3.39Å; D60-M64 PolarHBondContact O-N 3.31Å; Q61-M64 PolarHBondContact O-N 3.47Å; E62-M64 PolarHBondContact O-N 2.94Å; M64-L67 PolarHBondContact O-N 2.96Å; M64-L67 HydrophobicContact SD-CD1 4.1Å; M64-I68 WeakPolarHBondContact O-CD1 3.49Å; M64-I68 VanDerWaalsContact O-CG1 3.25Å; M64-I68 WeakPolarHBondContact O-CG1 3.41Å; M64-I68 PolarHBondContact O-N 3.16Å; M64-I317 HydrophobicContact CE-CG1 4.41Å; M64-I317 HydrophobicContact CE-CG2 4.16Å
65G98.5Very high98.1Very high34 Ų3435.3 Ų35.335%0.35118%0.176SC..Hα-helixtrans-58.6-47172.100000112.2Q61 E62 L63 L67 I68 E69Q61-G65 PolarHBondContact O-N 3.46Å; E62-G65 PolarHBondContact O-N 2.93Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 2.86Å; G65-L67 PolarHBondContact O-N 3.34Å; G65-I68 PolarHBondContact O-N 3.23Å; G65-E69 WeakPolarHBondContact O-CG 3.38Å; G65-E69 PolarHBondContact O-N 3.37Å
66M98.8Very high98.1Very high40 Ų4035.2 Ų35.220%0.19718%0.176CC..Hα-helixtrans-62.8-39.9178.1-64.5175.16900113K11 L12 F15 E62 L63 I68 E69 L70K11-M66 VanDerWaalsContact C-CE 3.41Å; K11-M66 HydrophobicContact CB-CE 3.69Å; K11-M66 WeakPolarHBondContact O-CE 3.36Å; L12-M66 HydrophobicContact CD2-CB 3.57Å; L12-M66 HydrophobicContact CD2-CE 4.18Å; L12-M66 HydrophobicContact CG-CB 4.1Å; L12-M66 HydrophobicContact CG-CE 4.22Å; F15-M66 HydrophobicContact CB-CE 3.85Å; F15-M66 HydrophobicContact CB-SD 4.12Å; F15-M66 HydrophobicContact CD2-SD 3.89Å; F15-M66 HydrophobicContact CG-CE 4.43Å; F15-M66 HydrophobicContact CG-SD 4.06Å; E62-M66 HydrophobicContact CG-SD 4.49Å; E62-M66 WeakPolarHBondContact O-CG 3.48Å; E62-M66 PolarHBondContact O-N 3.21Å; L63-M66 PolarHBondContact O-N 3.29Å; L63-M66 VanDerWaalsContact O-N 3.15Å; M66-I68 VanDerWaalsContact C-N 3.34Å; M66-E69 PolarHBondContact O-N 3.07Å; M66-L70 PolarHBondContact O-N 3.08Å
67L98.8Very high98.1Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-64.6-38175.9-74.1168.9000111.8L12 L63 M64 G65 L70 A71 L320 W324L12-L67 HydrophobicContact CD1-CD2 3.94Å; L12-L67 HydrophobicContact CD2-CD2 3.99Å; L12-L67 HydrophobicContact CD2-CG 4.03Å; L63-L67 HydrophobicContact CD1-CD1 4.29Å; L63-L67 HydrophobicContact CD1-CG 4.19Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.07Å; M64-L67 PolarHBondContact O-N 2.96Å; M64-L67 HydrophobicContact SD-CD1 4.1Å; G65-L67 PolarHBondContact O-N 3.34Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 PolarHBondContact O-N 3.03Å; L67-A71 PolarHBondContact O-N 2.88Å; L67-L320 HydrophobicContact CB-CB 4.15Å; L67-L320 HydrophobicContact CB-CD1 4.05Å; L67-L320 HydrophobicContact CB-CD2 4.13Å; L67-L320 HydrophobicContact CB-CG 4.34Å; L67-L320 HydrophobicContact CD1-CB 4.46Å; L67-L320 VanDerWaalsContact O-CD2 3.25Å; L67-L320 WeakPolarHBondContact O-CD2 3.28Å; L67-W324 HydrophobicContact CD1-CB 4.32Å; L67-W324 HydrophobicContact CD2-CB 4.43Å
68I98.8Very high98.1Very high11 Ų1140.4 Ų40.46%0.05621%0.208CC..Hα-helixtrans-67.4-41.4176-70.5166.6000111.1M64 G65 M66 L70 A71 K72 F310 E311 L320M64-I68 WeakPolarHBondContact O-CD1 3.49Å; M64-I68 VanDerWaalsContact O-CG1 3.25Å; M64-I68 WeakPolarHBondContact O-CG1 3.41Å; M64-I68 PolarHBondContact O-N 3.16Å; G65-I68 PolarHBondContact O-N 3.23Å; M66-I68 VanDerWaalsContact C-N 3.34Å; I68-L70 VanDerWaalsContact C-N 3.26Å; I68-L70 PolarHBondContact O-N 3.31Å; I68-A71 WeakPolarHBondContact O-CB 3.21Å; I68-A71 PolarHBondContact O-N 3.36Å; I68-A71 VanDerWaalsContact O-N 3.11Å; I68-K72 HydrophobicContact CG2-CD 4.34Å; I68-K72 WeakPolarHBondContact O-CG 3.19Å; I68-K72 PolarHBondContact O-N 2.91Å; I68-F310 HydrophobicContact CG1-CB 4.47Å; I68-F310 HydrophobicContact CG2-CB 3.97Å; I68-F310 HydrophobicContact CG2-CD2 4.43Å; I68-E311 HydrophobicContact CD1-CB 4.13Å; I68-E311 HydrophobicContact CD1-CG 3.78Å; I68-L320 HydrophobicContact CG1-CD1 3.94Å
69E98.8Very high98.1Very high86 Ų8643.7 Ų43.740%0.40222%0.221SC..Hα-helixtrans-63.7-33.3174.1-66.9-52.8121.800112G65 M66 K72 S73G65-E69 WeakPolarHBondContact O-CG 3.38Å; G65-E69 PolarHBondContact O-N 3.37Å; M66-E69 PolarHBondContact O-N 3.07Å; E69-K72 IonicContact OE1-NZ 3.51Å; E69-K72 PolarHBondContact OE1-NZ 3.34Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 3.33Å; E69-S73 PolarHBondContact O-OG 3.16Å
70L98.8Very high98.2Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-60.9-52167.3-178.767.1000110.9L3 D6 N8 Y9 L12 M66 L67 I68 K72 S73 R74 I323 I502L3-L70 HydrophobicContact CD1-CD1 3.91Å; L3-L70 HydrophobicContact CD1-CD2 4.29Å; D6-L70 HydrophobicContact CB-CD1 4.38Å; N8-L70 HydrophobicContact CB-CB 4.33Å; N8-L70 HydrophobicContact CB-CD1 4.29Å; Y9-L70 HydrophobicContact CD2-CD2 4.34Å; L12-L70 HydrophobicContact CD1-CB 3.93Å; L12-L70 HydrophobicContact CD1-CD2 3.7Å; L12-L70 HydrophobicContact CD1-CG 4.34Å; M66-L70 PolarHBondContact O-N 3.08Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 PolarHBondContact O-N 3.03Å; I68-L70 VanDerWaalsContact C-N 3.26Å; I68-L70 PolarHBondContact O-N 3.31Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 2.97Å; L70-S73 WeakPolarHBondContact CA-OG 3.34Å; L70-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-OG 2.9Å; L70-R74 HydrophobicContact CD1-CG 3.84Å; L70-R74 HydrophobicContact CG-CG 4.11Å; L70-R74 WeakPolarHBondContact O-CB 3.48Å; L70-R74 WeakPolarHBondContact O-CG 3.16Å; L70-R74 PolarHBondContact O-N 3.46Å; L70-I323 HydrophobicContact CD2-CG2 4.16Å; L70-I502 HydrophobicContact CD2-CG2 4.29Å
71A98.9Very high98.4Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-55-42.3178.300000113.2L67 I68 R74 K75 V76 F310 L320L67-A71 PolarHBondContact O-N 2.88Å; I68-A71 WeakPolarHBondContact O-CB 3.21Å; I68-A71 PolarHBondContact O-N 3.36Å; I68-A71 VanDerWaalsContact O-N 3.11Å; A71-R74 PolarHBondContact O-N 3.05Å; A71-K75 PolarHBondContact O-N 3.12Å; A71-V76 HydrophobicContact CB-CB 4.39Å; A71-V76 HydrophobicContact CB-CG2 4.02Å; A71-V76 WeakPolarHBondContact O-CG2 3.39Å; A71-V76 PolarHBondContact O-N 3.08Å; A71-V76 VanDerWaalsContact O-N 3.13Å; A71-F310 HydrophobicContact CB-CD2 3.94Å; A71-F310 HydrophobicContact CB-CE2 3.89Å; A71-L320 HydrophobicContact CB-CD1 4.39Å; A71-L320 HydrophobicContact CB-CD2 4.13Å
72K98.6Very high98.5Very high78 Ų7841.4 Ų41.434%0.33921%0.212SC..Hα-helixtrans-64-48.8176.8-68.7173.1-172.8162.50111.8I68 E69 L70 R74 K75 F310 E311I68-K72 HydrophobicContact CG2-CD 4.34Å; I68-K72 WeakPolarHBondContact O-CG 3.19Å; I68-K72 PolarHBondContact O-N 2.91Å; E69-K72 IonicContact OE1-NZ 3.51Å; E69-K72 PolarHBondContact OE1-NZ 3.34Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 2.97Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 2.87Å; K72-K75 WeakPolarHBondContact O-CA 3.46Å; K72-K75 PolarHBondContact O-N 3.21Å; K72-F310 HydrophobicContact CG-CD2 3.96Å; K72-F310 HydrophobicContact CG-CE2 4.02Å; K72-E311 IonicContact NZ-OE1 3.46Å; K72-E311 PolarHBondContact NZ-OE1 2.86Å
73S98.5Very high98.6Very high43 Ų4336.2 Ų36.230%0.30119%0.187SC..Hα-helixtrans-65.1-29.6178.3500000113.5D6 N8 E69 L70 K75D6-S73 PolarHBondContact OD1-OG 2.67Å; D6-S73 PolarHBondContact OD2-OG 3.23Å; N8-S73 WeakPolarHBondContact ND2-CB 3.37Å; N8-S73 PolarHBondContact ND2-OG 3.28Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 3.33Å; E69-S73 PolarHBondContact O-OG 3.16Å; L70-S73 WeakPolarHBondContact CA-OG 3.34Å; L70-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-OG 2.9Å; S73-K75 PolarHBondContact O-N 3.12Å
74R98.6Very high98.7Very high17 Ų1737 Ų376%0.06419%0.191CC..THydrogen-bonded Turntrans-78.80.6170.6-59.7-52.2-60.9160.71.5114.2M1 L3 D6 L70 A71 K72 V76 I501 I502 D504M1-R74 PolarHBondContact O-NH1 3.49Å; M1-R74 PolarHBondContact O-NH2 2.83Å; L3-R74 HydrophobicContact CD1-CG 4.43Å; D6-R74 WeakPolarHBondContact OD2-CD 3.42Å; D6-R74 IonicContact OD2-NH1 3.26Å; L70-R74 HydrophobicContact CD1-CG 3.84Å; L70-R74 HydrophobicContact CG-CG 4.11Å; L70-R74 WeakPolarHBondContact O-CB 3.48Å; L70-R74 WeakPolarHBondContact O-CG 3.16Å; L70-R74 PolarHBondContact O-N 3.46Å; A71-R74 PolarHBondContact O-N 3.05Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 2.87Å; R74-V76 PolarHBondContact O-N 2.87Å; R74-I501 WeakPolarHBondContact O-CG2 3.45Å; R74-I502 HydrophobicContact CB-CG1 4.13Å; R74-I502 HydrophobicContact CG-CB 4.43Å; R74-I502 HydrophobicContact CG-CG1 4.26Å; R74-I502 HydrophobicContact CG-CG2 4.29Å; R74-I502 PolarHBondContact NE-O 2.84Å; R74-I502 PolarHBondContact NH2-O 2.88Å; R74-D504 VanDerWaalsContact NH2-CB 3.33Å; R74-D504 IonicContact NH2-OD2 2.75Å
75K98.3Very high98.7Very high122 Ų12239 Ų3953%0.5321%0.209SC..THydrogen-bonded Turntrans61.537.1174.9-51.2-175177.5-174.50114.2A71 K72 S73 D77 V78 Y79A71-K75 PolarHBondContact O-N 3.12Å; K72-K75 WeakPolarHBondContact O-CA 3.46Å; K72-K75 PolarHBondContact O-N 3.21Å; S73-K75 PolarHBondContact O-N 3.12Å; K75-D77 PolarHBondContact O-N 3.14Å; K75-V78 HydrophobicContact CB-CB 4.06Å; K75-V78 HydrophobicContact CB-CG2 4.1Å; K75-V78 PolarHBondContact O-N 3.33Å; K75-Y79 HydrophobicContact CB-CD2 4.23Å; K75-Y79 HydrophobicContact CB-CE2 4.37Å; K75-Y79 WeakPolarHBondContact O-CD2 3.42Å; K75-Y79 PolarHBondContact O-N 3.2Å
76V98.8Very high98.7Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-56.6-38.4179.8169.50000112.1A71 R74 R80 F310 V498 I501 I502A71-V76 HydrophobicContact CB-CB 4.39Å; A71-V76 HydrophobicContact CB-CG2 4.02Å; A71-V76 WeakPolarHBondContact O-CG2 3.39Å; A71-V76 PolarHBondContact O-N 3.08Å; A71-V76 VanDerWaalsContact O-N 3.13Å; R74-V76 PolarHBondContact O-N 2.87Å; V76-R80 VanDerWaalsContact O-CB 3.23Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 PolarHBondContact O-N 3.04Å; V76-F310 HydrophobicContact CB-CE2 4.18Å; V76-F310 HydrophobicContact CB-CZ 3.84Å; V76-F310 HydrophobicContact CG1-CE1 4.31Å; V76-F310 HydrophobicContact CG1-CE2 4.48Å; V76-F310 HydrophobicContact CG1-CZ 3.81Å; V76-V498 HydrophobicContact CG1-CB 4.37Å; V76-V498 HydrophobicContact CG1-CG1 3.98Å; V76-V498 HydrophobicContact CG1-CG2 3.85Å; V76-V498 HydrophobicContact CG2-CG1 4.14Å; V76-I501 HydrophobicContact CG2-CB 4.39Å; V76-I501 HydrophobicContact CG2-CG2 4.1Å; V76-I502 HydrophobicContact CG2-CD1 4.39Å; V76-I502 HydrophobicContact CG2-CG1 3.9Å
77D98.6Very high98.6Very high61 Ų6141.3 Ų41.333%0.32621%0.212SC..Hα-helixtrans-65.6-46.7177.354.6-20.3000112K75 Y79 R80 D81 F310K75-D77 PolarHBondContact O-N 3.14Å; D77-Y79 PolarHBondContact O-N 3.47Å; D77-R80 WeakPolarHBondContact O-CB 3.47Å; D77-R80 PolarHBondContact O-N 3.29Å; D77-D81 VanDerWaalsContact O-CG 3.23Å; D77-D81 PolarHBondContact O-N 2.98Å; D77-F310 HydrophobicContact CB-CE1 4.4Å; D77-F310 HydrophobicContact CB-CZ 3.77Å
78V98.7Very high98.6Very high82 Ų8244.7 Ų44.750%0.49723%0.227SC..Hα-helixtrans-60.8-48177.6-178.90000110.8K75 R80 D81 A82K75-V78 HydrophobicContact CB-CB 4.06Å; K75-V78 HydrophobicContact CB-CG2 4.1Å; K75-V78 PolarHBondContact O-N 3.33Å; V78-R80 VanDerWaalsContact C-N 3.34Å; V78-R80 PolarHBondContact O-N 3.23Å; V78-D81 PolarHBondContact O-N 2.88Å; V78-A82 WeakPolarHBondContact O-CB 3.39Å; V78-A82 PolarHBondContact O-N 3.03Å
79Y98.7Very high98.6Very high70 Ų7044.8 Ų44.828%0.27523%0.227SC..Hα-helixtrans-68.8-33.5179.3-80.2-74.3000112.5K75 D77 M83 I501K75-Y79 HydrophobicContact CB-CD2 4.23Å; K75-Y79 HydrophobicContact CB-CE2 4.37Å; K75-Y79 WeakPolarHBondContact O-CD2 3.42Å; K75-Y79 PolarHBondContact O-N 3.2Å; D77-Y79 PolarHBondContact O-N 3.47Å; Y79-M83 PolarHBondContact O-N 3.1Å; Y79-I501 HydrophobicContact CD1-CD1 4.04Å; Y79-I501 HydrophobicContact CD2-CD1 4.24Å; Y79-I501 HydrophobicContact CD2-CG2 3.49Å; Y79-I501 VanDerWaalsContact CD2-CG2 3.49Å; Y79-I501 HydrophobicContact CE2-CG2 4.23Å; Y79-I501 HydrophobicContact CG-CD1 3.72Å; Y79-I501 HydrophobicContact CG-CG1 4.26Å; Y79-I501 HydrophobicContact CG-CG2 4.01Å
80R98.8Very high98.6Very high27 Ų2741 Ų4110%0.10221%0.21CC..Hα-helixtrans-59.9-51.4172.4172.1-163.676.6-162.4-10.8109.3V76 D77 V78 A82 M83 F84 F305 K306 F497V76-R80 VanDerWaalsContact O-CB 3.23Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 PolarHBondContact O-N 3.04Å; D77-R80 WeakPolarHBondContact O-CB 3.47Å; D77-R80 PolarHBondContact O-N 3.29Å; V78-R80 VanDerWaalsContact C-N 3.34Å; V78-R80 PolarHBondContact O-N 3.23Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.18Å; R80-M83 WeakPolarHBondContact O-CB 3.3Å; R80-M83 PolarHBondContact O-N 3.02Å; R80-M83 VanDerWaalsContact O-N 3.09Å; R80-F84 HydrophobicContact CG-CD2 3.97Å; R80-F84 HydrophobicContact CG-CE2 3.97Å; R80-F84 VanDerWaalsContact O-CD2 3.3Å; R80-F84 WeakPolarHBondContact O-CD2 3.49Å; R80-F84 PolarHBondContact O-N 2.89Å; R80-F305 HydrophobicContact CB-CE1 4.15Å; R80-F305 HydrophobicContact CB-CZ 4.02Å; R80-F305 WeakPolarHBondContact CD-O 3.42Å; R80-F305 HydrophobicContact CG-CD1 4.06Å; R80-F305 HydrophobicContact CG-CE1 3.5Å; R80-F305 VanDerWaalsContact CG-CE1 3.5Å; R80-F305 HydrophobicContact CG-CZ 3.73Å; R80-F305 PolarHBondContact NH1-O 3.35Å; R80-K306 PolarHBondContact NH1-O 3.42Å; R80-F497 HydrophobicContact CB-CE1 3.99Å; R80-F497 HydrophobicContact CB-CZ 4.4Å
81D98.7Very high98.6Very high71 Ų7144.6 Ų44.638%0.3823%0.225SC..Hα-helixtrans-63.8-38.1-176.9-65.1-10000110.9D77 V78 M83 F84 A85D77-D81 VanDerWaalsContact O-CG 3.23Å; D77-D81 PolarHBondContact O-N 2.98Å; V78-D81 PolarHBondContact O-N 2.88Å; D81-M83 PolarHBondContact O-N 2.83Å; D81-F84 PolarHBondContact O-N 3.09Å; D81-A85 VanDerWaalsContact O-CB 3.25Å; D81-A85 WeakPolarHBondContact O-CB 3.44Å; D81-A85 PolarHBondContact O-N 3.36Å
82A98.7Very high98.5Very high6 Ų647.3 Ų47.35%0.0524%0.242CC..Hα-helixtrans-59.8-43.1171.300000112.9V78 R80 A85 G86 E87 I89V78-A82 WeakPolarHBondContact O-CB 3.39Å; V78-A82 PolarHBondContact O-N 3.03Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.18Å; A82-A85 PolarHBondContact O-N 3.23Å; A82-G86 PolarHBondContact O-N 3.31Å; A82-E87 HydrophobicContact CB-CB 4.03Å; A82-E87 HydrophobicContact CB-CG 4.15Å; A82-E87 WeakPolarHBondContact O-CB 3.34Å; A82-E87 PolarHBondContact O-N 2.83Å; A82-I89 HydrophobicContact CB-CG2 3.81Å
83M98.8Very high98.5Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-58.8-50.4173.9-172.7177.667.400110.9Y79 R80 D81 A85 G86 I89 V97 L98 I100 F305 F497 F508Y79-M83 PolarHBondContact O-N 3.1Å; R80-M83 WeakPolarHBondContact O-CB 3.3Å; R80-M83 PolarHBondContact O-N 3.02Å; R80-M83 VanDerWaalsContact O-N 3.09Å; D81-M83 PolarHBondContact O-N 2.83Å; M83-A85 VanDerWaalsContact C-N 3.26Å; M83-A85 PolarHBondContact O-N 3.16Å; M83-G86 PolarHBondContact O-N 3.26Å; M83-I89 HydrophobicContact CB-CD1 3.65Å; M83-I89 HydrophobicContact CG-CD1 3.86Å; M83-I89 HydrophobicContact SD-CD1 4.48Å; M83-V97 HydrophobicContact CG-CB 4.49Å; M83-V97 HydrophobicContact CG-CG1 4.5Å; M83-V97 VanDerWaalsContact CG-O 3.31Å; M83-V97 WeakPolarHBondContact CG-O 3.41Å; M83-V97 HydrophobicContact SD-CG1 4.47Å; M83-L98 VanDerWaalsContact O-CD2 3.24Å; M83-L98 WeakPolarHBondContact O-CD2 3.31Å; M83-I100 HydrophobicContact CE-CG2 4.35Å; M83-F305 HydrophobicContact CE-CE1 4.17Å; M83-F497 HydrophobicContact CB-CE2 4.47Å; M83-F497 HydrophobicContact SD-CD2 4.03Å; M83-F497 HydrophobicContact SD-CE2 4.08Å; M83-F497 HydrophobicContact SD-CG 4.45Å; M83-F508 HydrophobicContact SD-CZ 4.33Å
84F98.7Very high98.4Very high16 Ų1648.9 Ų48.97%0.0725%0.25CC..Hα-helixtrans-68.5-23.7-178.5-83.9-102.7000113.2R80 D81 I100 D302 F305 K306R80-F84 HydrophobicContact CG-CD2 3.97Å; R80-F84 HydrophobicContact CG-CE2 3.97Å; R80-F84 VanDerWaalsContact O-CD2 3.3Å; R80-F84 WeakPolarHBondContact O-CD2 3.49Å; R80-F84 PolarHBondContact O-N 2.89Å; D81-F84 PolarHBondContact O-N 3.09Å; F84-I100 HydrophobicContact CD1-CD1 3.83Å; F84-I100 HydrophobicContact CD1-CG1 4.35Å; F84-I100 HydrophobicContact CE1-CB 4.44Å; F84-I100 HydrophobicContact CE1-CD1 4.31Å; F84-I100 HydrophobicContact CE1-CG2 4.44Å; F84-I100 HydrophobicContact CG-CD1 4.23Å; F84-I100 HydrophobicContact CZ-CG2 4.19Å; F84-D302 HydrophobicContact CE1-CB 3.97Å; F84-D302 HydrophobicContact CZ-CB 3.96Å; F84-D302 WeakPolarHBondContact CZ-O 3.32Å; F84-F305 AromaticContact CE2-CD1 3.82Å; F84-F305 HydrophobicContact CE2-CD1 3.82Å; F84-F305 HydrophobicContact CE2-CE1 4.14Å; F84-F305 HydrophobicContact CZ-CD1 4.22Å; F84-K306 HydrophobicContact CD1-CD 3.76Å; F84-K306 HydrophobicContact CD1-CG 4.41Å; F84-K306 HydrophobicContact CE1-CB 4.08Å; F84-K306 HydrophobicContact CE1-CD 4.05Å; F84-K306 HydrophobicContact CE1-CG 4.45Å; F84-K306 HydrophobicContact CG-CD 4.22Å; F84-K306 HydrophobicContact CZ-CB 4.08Å
85A98.3Very high98.4Very high54 Ų5451.4 Ų51.445%0.44626%0.259SS..Hα-helixtrans-83.9-8.217700000113.7D81 A82 M83 E87D81-A85 VanDerWaalsContact O-CB 3.25Å; D81-A85 WeakPolarHBondContact O-CB 3.44Å; D81-A85 PolarHBondContact O-N 3.36Å; A82-A85 PolarHBondContact O-N 3.23Å; M83-A85 VanDerWaalsContact C-N 3.26Å; M83-A85 PolarHBondContact O-N 3.16Å; A85-E87 HydrophobicContact CB-CG 4.46Å
86G98.3Very high98.4Very high7 Ų745.8 Ų45.87%0.07224%0.235CC..THydrogen-bonded Turntrans8218.6-177.500000114.4A82 M83 A96A82-G86 PolarHBondContact O-N 3.31Å; M83-G86 PolarHBondContact O-N 3.26Å; G86-A96 WeakPolarHBondContact O-CB 3.22Å
87E98.3Very high98.4Very high116 Ų11646 Ų4654%0.54224%0.237SC..  trans-65.3153.9173.4-65.1-173.2-153.900111.6A82 A85 I89 A96A82-E87 HydrophobicContact CB-CB 4.03Å; A82-E87 HydrophobicContact CB-CG 4.15Å; A82-E87 WeakPolarHBondContact O-CB 3.34Å; A82-E87 PolarHBondContact O-N 2.83Å; A85-E87 HydrophobicContact CB-CG 4.46Å; E87-I89 HydrophobicContact CB-CG2 4.19Å; E87-I89 PolarHBondContact O-N 2.98Å; E87-A96 WeakPolarHBondContact O-CA 3.34Å
88K98.3Very high98.4Very high71 Ų7143.1 Ų43.131%0.30922%0.221SC..  trans-78.959.3-175.9-67.2-180169.8169.50112.5N90 N94 R95 D113K88-N90 VanDerWaalsContact C-N 3.27Å; K88-N90 PolarHBondContact O-N 2.69Å; K88-N94 WeakPolarHBondContact CD-O 3.44Å; K88-N94 WeakPolarHBondContact CD-OD1 3.4Å; K88-R95 CarbonylContact C-O 3.56Å; K88-R95 VanDerWaalsContact C-O 3.25Å; K88-R95 WeakPolarHBondContact CA-O 3.44Å; K88-D113 WeakPolarHBondContact CE-OD1 3.29Å; K88-D113 IonicContact NZ-OD1 2.75Å; K88-D113 PolarHBondContact NZ-OD1 3.14Å; K88-D113 IonicContact NZ-OD2 2.9Å; K88-D113 PolarHBondContact NZ-OD2 3.16Å
89I98.6Very high98.4Very high14 Ų1439.4 Ų39.47%0.07220%0.199CC..  trans-72.5-16-176.369.3166.9000113.8A82 M83 E87 F91 R95 V97 F497 F508A82-I89 HydrophobicContact CB-CG2 3.81Å; M83-I89 HydrophobicContact CB-CD1 3.65Å; M83-I89 HydrophobicContact CG-CD1 3.86Å; M83-I89 HydrophobicContact SD-CD1 4.48Å; E87-I89 HydrophobicContact CB-CG2 4.19Å; E87-I89 PolarHBondContact O-N 2.98Å; I89-F91 WeakPolarHBondContact O-CD1 3.38Å; I89-F91 PolarHBondContact O-N 2.8Å; I89-R95 PolarHBondContact N-O 3.43Å; I89-V97 HydrophobicContact CD1-CB 4.12Å; I89-V97 HydrophobicContact CD1-CG2 4.27Å; I89-V97 HydrophobicContact CG1-CB 3.9Å; I89-V97 HydrophobicContact CG1-CG2 3.66Å; I89-F497 HydrophobicContact CD1-CE2 4Å; I89-F508 HydrophobicContact CD1-CD2 4.32Å; I89-F508 HydrophobicContact CD1-CE2 3.66Å; I89-F508 HydrophobicContact CD1-CZ 4.37Å; I89-F508 HydrophobicContact CG1-CD2 4.41Å; I89-F508 HydrophobicContact CG1-CE2 4.23Å
90N98.6Very high98.4Very high6 Ų636.3 Ų36.33%0.03219%0.187CC..BIsolated β-bridgetrans-79.978.4163.11791.7000108.1K88 T92 E93 N94 R95 V97 N506 F508K88-N90 VanDerWaalsContact C-N 3.27Å; K88-N90 PolarHBondContact O-N 2.69Å; N90-T92 PolarHBondContact O-N 2.66Å; N90-T92 PolarHBondContact OD1-OG1 2.93Å; N90-E93 PolarHBondContact ND2-OE2 3.49Å; N90-E93 PolarHBondContact O-N 3.4Å; N90-N94 WeakPolarHBondContact O-CA 3.18Å; N90-N94 PolarHBondContact O-N 3.31Å; N90-R95 HydrophobicContact CB-CB 4.19Å; N90-R95 WeakPolarHBondContact CB-O 3.39Å; N90-R95 PolarHBondContact N-O 2.9Å; N90-R95 VanDerWaalsContact N-O 3.12Å; N90-R95 PolarHBondContact O-N 3.42Å; N90-V97 HydrophobicContact CB-CG2 3.67Å; N90-N506 PolarHBondContact OD1-ND2 2.9Å; N90-F508 HydrophobicContact CB-CB 3.91Å; N90-F508 PolarHBondContact ND2-O 2.8Å
91F97.9Very high98.4Very high75 Ų7535 Ų3533%0.32918%0.182SC..THydrogen-bonded Turntrans-71.3-26-166.657.6-90.4000113.7I89 R364 N506I89-F91 WeakPolarHBondContact O-CD1 3.38Å; I89-F91 PolarHBondContact O-N 2.8Å; F91-R364 HydrophobicContact CD1-CG 3.78Å; F91-R364 HydrophobicContact CE1-CB 4.35Å; F91-R364 HydrophobicContact CE1-CG 3.22Å; F91-R364 HydrophobicContact CE2-CB 4.43Å; F91-R364 HydrophobicContact CE2-CG 4.07Å; F91-R364 HydrophobicContact CG-CG 4.43Å; F91-R364 HydrophobicContact CZ-CB 4.09Å; F91-R364 HydrophobicContact CZ-CG 3.38Å; F91-N506 HydrophobicContact CD1-CB 4.41Å; F91-N506 HydrophobicContact CE1-CB 3.52Å; F91-N506 HydrophobicContact CZ-CB 3.6Å
92T98.4Very high98.4Very high58 Ų5831.8 Ų31.836%0.35617%0.165SC..THydrogen-bonded Turntrans-75.8-26.9178.562.30000112.9N90 N506 D509 W511N90-T92 PolarHBondContact O-N 2.66Å; N90-T92 PolarHBondContact OD1-OG1 2.93Å; T92-N506 PolarHBondContact OG1-ND2 2.89Å; T92-D509 WeakPolarHBondContact CG2-OD2 3.14Å; T92-D509 WeakPolarHBondContact OG1-CB 3.46Å; T92-D509 PolarHBondContact OG1-OD2 3.09Å; T92-W511 PolarHBondContact OG1-NE1 3.24Å; T92-W511 VanDerWaalsContact OG1-NE1 3.14Å
93E97.4Very high98.4Very high45 Ų4531.5 Ų31.521%0.2116%0.162CC..THydrogen-bonded Turntrans-105.5-1.2177.8-61.3-172.3108.600112.4N90 R95 W511N90-E93 PolarHBondContact ND2-OE2 3.49Å; N90-E93 PolarHBondContact O-N 3.4Å; E93-R95 HydrophobicContact CB-CG 4.15Å; E93-R95 PolarHBondContact O-N 3.21Å; E93-R95 IonicContact OE1-CZ 2.76Å; E93-R95 IonicContact OE1-NH1 2.87Å; E93-R95 PolarHBondContact OE1-NH1 2.97Å; E93-R95 IonicContact OE1-NH2 2.72Å; E93-R95 IonicContact OE2-CZ 3.34Å; E93-R95 IonicContact OE2-NH1 3.04Å; E93-R95 PolarHBondContact OE2-NH1 3.2Å; E93-W511 HydrophobicContact CG-CZ2 3.88Å
94N97.7Very high98.4Very high109 Ų10932 Ų3258%0.58317%0.165SC*.THydrogen-bonded Turntrans52.848.8-174.6-16833.7000112.9K88 N90K88-N94 WeakPolarHBondContact CD-O 3.44Å; K88-N94 WeakPolarHBondContact CD-OD1 3.4Å; N90-N94 WeakPolarHBondContact O-CA 3.18Å; N90-N94 PolarHBondContact O-N 3.31Å
95R97.9Very high98.4Very high70 Ų7034.9 Ų34.926%0.26418%0.175SC..BIsolated β-bridgetrans-122.8147-176.2-70.8177.1-175.81488.3112.6K88 I89 N90 E93 D266K88-R95 CarbonylContact C-O 3.56Å; K88-R95 VanDerWaalsContact C-O 3.25Å; K88-R95 WeakPolarHBondContact CA-O 3.44Å; I89-R95 PolarHBondContact N-O 3.43Å; N90-R95 HydrophobicContact CB-CB 4.19Å; N90-R95 WeakPolarHBondContact CB-O 3.39Å; N90-R95 PolarHBondContact N-O 2.9Å; N90-R95 VanDerWaalsContact N-O 3.12Å; N90-R95 PolarHBondContact O-N 3.42Å; E93-R95 HydrophobicContact CB-CG 4.15Å; E93-R95 PolarHBondContact O-N 3.21Å; E93-R95 IonicContact OE1-CZ 2.76Å; E93-R95 IonicContact OE1-NH1 2.87Å; E93-R95 PolarHBondContact OE1-NH1 2.97Å; E93-R95 IonicContact OE1-NH2 2.72Å; E93-R95 IonicContact OE2-CZ 3.34Å; E93-R95 IonicContact OE2-NH1 3.04Å; E93-R95 PolarHBondContact OE2-NH1 3.2Å; R95-D266 IonicContact NE-OD2 3.16Å
96A98.5Very high98.4Very high3 Ų335.5 Ų35.53%0.02517%0.173CC..  trans-66.5164.3163.400000110.3G86 E87 L98 V112 W267G86-A96 WeakPolarHBondContact O-CB 3.22Å; E87-A96 WeakPolarHBondContact O-CA 3.34Å; A96-L98 HydrophobicContact CB-CD1 4.12Å; A96-L98 HydrophobicContact CB-CG 4.24Å; A96-V112 HydrophobicContact CB-CG1 4.4Å; A96-V112 HydrophobicContact CB-CG2 3.98Å; A96-W267 HydrophobicContact CB-CB 3.92Å; A96-W267 VanDerWaalsContact O-CA 3.25Å; A96-W267 WeakPolarHBondContact O-CA 3.46Å; A96-W267 WeakPolarHBondContact O-CB 3.19Å
97V98.7Very high98.4Very high6 Ų639 Ų394%0.03619%0.19CC..  trans-132.6101.6177.7178.90000108.6M83 I89 N90 F508M83-V97 HydrophobicContact CG-CB 4.49Å; M83-V97 HydrophobicContact CG-CG1 4.5Å; M83-V97 VanDerWaalsContact CG-O 3.31Å; M83-V97 WeakPolarHBondContact CG-O 3.41Å; M83-V97 HydrophobicContact SD-CG1 4.47Å; I89-V97 HydrophobicContact CD1-CB 4.12Å; I89-V97 HydrophobicContact CD1-CG2 4.27Å; I89-V97 HydrophobicContact CG1-CB 3.9Å; I89-V97 HydrophobicContact CG1-CG2 3.66Å; N90-V97 HydrophobicContact CB-CG2 3.67Å; V97-F508 HydrophobicContact CB-CD1 4.46Å; V97-F508 HydrophobicContact CB-CD2 4.36Å; V97-F508 HydrophobicContact CB-CE2 4.41Å; V97-F508 HydrophobicContact CB-CG 4.33Å; V97-F508 HydrophobicContact CB-CZ 4.49Å; V97-F508 HydrophobicContact CG1-CD1 3.48Å; V97-F508 VanDerWaalsContact CG1-CD1 3.48Å; V97-F508 HydrophobicContact CG1-CD2 4.11Å; V97-F508 HydrophobicContact CG1-CE1 3.41Å; V97-F508 VanDerWaalsContact CG1-CE1 3.41Å; V97-F508 HydrophobicContact CG1-CE2 4.01Å; V97-F508 HydrophobicContact CG1-CG 3.82Å; V97-F508 HydrophobicContact CG1-CZ 3.64Å; V97-F508 HydrophobicContact CG2-CB 3.86Å; V97-F508 HydrophobicContact CG2-CD1 4.16Å; V97-F508 HydrophobicContact CG2-CD2 3.64Å; V97-F508 HydrophobicContact CG2-CE2 4.14Å; V97-F508 HydrophobicContact CG2-CG 3.6Å
98L98.7Very high98.4Very high0 Ų039 Ų390%019%0.19CC..  trans-136.536.6-160.9-77-179.3000114.2M83 A96 I100 A101 I110 V112 W267M83-L98 VanDerWaalsContact O-CD2 3.24Å; M83-L98 WeakPolarHBondContact O-CD2 3.31Å; A96-L98 HydrophobicContact CB-CD1 4.12Å; A96-L98 HydrophobicContact CB-CG 4.24Å; L98-I100 HydrophobicContact CD2-CD1 4.07Å; L98-I100 HydrophobicContact CD2-CG1 4.25Å; L98-I100 PolarHBondContact O-N 2.77Å; L98-I100 VanDerWaalsContact O-N 3.13Å; L98-A101 HydrophobicContact CB-CB 4.04Å; L98-A101 VanDerWaalsContact O-CB 3.32Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; L98-A101 PolarHBondContact O-N 3.23Å; L98-I110 HydrophobicContact CD1-CG2 3.84Å; L98-I110 HydrophobicContact CD2-CG2 3.64Å; L98-I110 HydrophobicContact CG-CG2 4.41Å; L98-V112 HydrophobicContact CD1-CG2 3.28Å; L98-W267 HydrophobicContact CB-CB 4.41Å; L98-W267 HydrophobicContact CB-CD2 3.74Å; L98-W267 HydrophobicContact CB-CE3 3.33Å; L98-W267 HydrophobicContact CB-CG 4.24Å; L98-W267 HydrophobicContact CB-CH2 4.5Å; L98-W267 HydrophobicContact CB-CZ3 3.76Å; L98-W267 HydrophobicContact CD1-CD2 4.38Å; L98-W267 HydrophobicContact CD1-CG 4.5Å; L98-W267 PolarHBondContact N-O 2.91Å; L98-W267 WeakPolarHBondContact O-CZ3 3.15Å
99H98.7Very high98.4Very high4 Ų440 Ų402%0.01920%0.204CC..Hα-helixtrans-57.2-26.8169.449.8-87.1000112.4A101 L102 Y272 E493H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.3Å; H99-L102 HydrophobicContact CB-CD1 4.44Å; H99-L102 WeakPolarHBondContact O-CB 3.41Å; H99-L102 PolarHBondContact O-N 3.22Å; H99-Y272 AromaticContact ND1-CG 3.93Å; H99-E493 IonicContact CD2-OE2 2.72Å
100I98.8Very high98.4Very high5 Ų539.9 Ų39.93%0.02620%0.204CC..Hα-helixtrans-63.9-28.9170.66394.3000113.6M83 F84 L98 R103 N104 I110M83-I100 HydrophobicContact CE-CG2 4.35Å; F84-I100 HydrophobicContact CD1-CD1 3.83Å; F84-I100 HydrophobicContact CD1-CG1 4.35Å; F84-I100 HydrophobicContact CE1-CB 4.44Å; F84-I100 HydrophobicContact CE1-CD1 4.31Å; F84-I100 HydrophobicContact CE1-CG2 4.44Å; F84-I100 HydrophobicContact CG-CD1 4.23Å; F84-I100 HydrophobicContact CZ-CG2 4.19Å; L98-I100 HydrophobicContact CD2-CD1 4.07Å; L98-I100 HydrophobicContact CD2-CG1 4.25Å; L98-I100 PolarHBondContact O-N 2.77Å; L98-I100 VanDerWaalsContact O-N 3.13Å; I100-R103 PolarHBondContact O-N 2.91Å; I100-N104 PolarHBondContact O-N 3.33Å; I100-N104 VanDerWaalsContact O-N 3.12Å; I100-I110 HydrophobicContact CD1-CD1 3.63Å
101A98.8Very high98.4Very high0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-69.8-34.6177.400000111.6L98 H99 R103 N104 I110 V117 M118 W267L98-A101 HydrophobicContact CB-CB 4.04Å; L98-A101 VanDerWaalsContact O-CB 3.32Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; L98-A101 PolarHBondContact O-N 3.23Å; H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.3Å; A101-R103 PolarHBondContact O-N 3.27Å; A101-R103 VanDerWaalsContact O-N 3.16Å; A101-N104 WeakPolarHBondContact O-CB 3.22Å; A101-N104 PolarHBondContact O-N 3.05Å; A101-N104 VanDerWaalsContact O-N 3.16Å; A101-I110 HydrophobicContact CB-CD1 3.82Å; A101-V117 HydrophobicContact CB-CG2 3.87Å; A101-M118 HydrophobicContact CB-SD 4.27Å; A101-W267 HydrophobicContact CB-CH2 4.18Å; A101-W267 HydrophobicContact CB-CZ3 4.33Å
102L98.8Very high98.4Very high3 Ų341.3 Ų41.32%0.01622%0.215CC..Hα-helixtrans-60-27.3178.9-55.6175.3000113.2H99 V121 W265 W267 V268 W275H99-L102 HydrophobicContact CB-CD1 4.44Å; H99-L102 WeakPolarHBondContact O-CB 3.41Å; H99-L102 PolarHBondContact O-N 3.22Å; L102-V121 HydrophobicContact CD2-CG2 4.41Å; L102-W265 HydrophobicContact CD2-CE3 3.92Å; L102-W265 HydrophobicContact CD2-CZ3 3.45Å; L102-W265 VanDerWaalsContact CD2-CZ3 3.45Å; L102-W267 HydrophobicContact CD2-CH2 3.65Å; L102-W267 HydrophobicContact CD2-CZ3 3.58Å; L102-W267 HydrophobicContact CG-CH2 4.36Å; L102-W267 HydrophobicContact CG-CZ3 3.88Å; L102-V268 HydrophobicContact CD1-CG1 3.97Å; L102-V268 HydrophobicContact CD1-CG2 4Å; L102-V268 HydrophobicContact CD2-CG2 4.02Å; L102-V268 HydrophobicContact CG-CG2 4.42Å; L102-W275 HydrophobicContact CB-CB 3.72Å; L102-W275 HydrophobicContact CD1-CB 3.83Å; L102-W275 HydrophobicContact CG-CB 4.44Å
103R98.8Very high98.3Very high0 Ų044.8 Ų44.80%023%0.232CC..THydrogen-bonded Turntrans-117.112.7-178.569.1-149.9-168-175-12.6112.6I100 A101 R105 L295 A298 H299 D302 E493I100-R103 PolarHBondContact O-N 2.91Å; A101-R103 PolarHBondContact O-N 3.27Å; A101-R103 VanDerWaalsContact O-N 3.16Å; R103-R105 WeakPolarHBondContact O-CD 3.31Å; R103-R105 WeakPolarHBondContact O-CG 3.49Å; R103-R105 PolarHBondContact O-N 2.62Å; R103-L295 HydrophobicContact CB-CB 3.99Å; R103-L295 HydrophobicContact CB-CD2 4.14Å; R103-A298 VanDerWaalsContact CD-CB 3.49Å; R103-A298 HydrophobicContact CG-CB 4.29Å; R103-H299 WeakPolarHBondContact O-CB 3.47Å; R103-H299 VanDerWaalsContact O-CG 3.29Å; R103-H299 PolarHBondContact O-ND1 2.85Å; R103-D302 WeakPolarHBondContact CG-OD2 3.37Å; R103-D302 IonicContact CZ-OD1 2.73Å; R103-D302 IonicContact CZ-OD2 2.79Å; R103-D302 IonicContact NE-OD1 2.88Å; R103-D302 PolarHBondContact NE-OD1 3.18Å; R103-D302 IonicContact NE-OD2 3.86Å; R103-D302 PolarHBondContact NE-OD2 2.63Å; R103-D302 IonicContact NH2-OD1 2.81Å; R103-D302 PolarHBondContact NH2-OD1 3.16Å; R103-D302 IonicContact NH2-OD2 2.92Å; R103-E493 IonicContact CZ-OE2 3.94Å; R103-E493 IonicContact NH1-OE1 3.36Å; R103-E493 IonicContact NH1-OE2 2.74Å; R103-E493 PolarHBondContact NH1-OE2 2.89Å; R103-E493 IonicContact NH2-OE2 2.83Å; R103-E493 PolarHBondContact NH2-OE2 2.87Å
104N98.8Very high98.3Very high10 Ų1045.9 Ų45.95%0.05326%0.255CS..  trans-70.394.3179.9176.122.8000111.6I100 A101 T106 N107 Q108 I110 M118 H299I100-N104 PolarHBondContact O-N 3.33Å; I100-N104 VanDerWaalsContact O-N 3.12Å; A101-N104 WeakPolarHBondContact O-CB 3.22Å; A101-N104 PolarHBondContact O-N 3.05Å; A101-N104 VanDerWaalsContact O-N 3.16Å; N104-T106 VanDerWaalsContact C-N 3.33Å; N104-T106 PolarHBondContact O-N 3.11Å; N104-T106 PolarHBondContact OD1-N 3.45Å; N104-T106 PolarHBondContact OD1-OG1 2.75Å; N104-N107 PolarHBondContact O-N 3.12Å; N104-Q108 PolarHBondContact ND2-O 2.95Å; N104-I110 HydrophobicContact CB-CD1 4.35Å; N104-M118 HydrophobicContact CB-CE 3.71Å; N104-M118 HydrophobicContact CB-SD 3.81Å; N104-M118 PolarHBondContact ND2-SD 3.06Å; N104-M118 VanDerWaalsContact ND2-SD 3.38Å; N104-M118 WeakPolarHBondContact O-CE 3.22Å; N104-H299 PolarHBondContact OD1-CE1 3.15Å; N104-H299 VanDerWaalsContact OD1-CE1 3.3Å
105R98.5Very high98.3Very high76 Ų7647.5 Ų47.529%0.28726%0.257SS..THydrogen-bonded Turntrans-77.6-17.1-175.7-50.3-50.8-68.5165.9-3.4113.7R103 N107 E292 T296 H299R103-R105 WeakPolarHBondContact O-CD 3.31Å; R103-R105 WeakPolarHBondContact O-CG 3.49Å; R103-R105 PolarHBondContact O-N 2.62Å; R105-N107 VanDerWaalsContact C-N 3.26Å; R105-N107 PolarHBondContact O-N 2.8Å; R105-E292 IonicContact NH2-OE2 2.63Å; R105-T296 HydrophobicContact CG-CG2 4.34Å; R105-H299 HydrophobicContact CG-CB 3.87Å; R105-H299 PolarHBondContact N-CE1 3.43Å
106T98.2Very high98.3Very high67 Ų6746.2 Ų46.241%0.41126%0.255SS..THydrogen-bonded Turntrans-74.4-17.517565.20000113.2N104 Q108N104-T106 VanDerWaalsContact C-N 3.33Å; N104-T106 PolarHBondContact O-N 3.11Å; N104-T106 PolarHBondContact OD1-N 3.45Å; N104-T106 PolarHBondContact OD1-OG1 2.75Å; T106-Q108 PolarHBondContact O-N 2.84Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 WeakPolarHBondContact OG1-CG 3.46Å; T106-Q108 PolarHBondContact OG1-N 2.9Å
107N98.5Very high98.3Very high80 Ų8046.7 Ų46.743%0.42826%0.258SS..  trans53.621-170.3-65.6-54.3000114.2N104 R105 N122N104-N107 PolarHBondContact O-N 3.12Å; R105-N107 VanDerWaalsContact C-N 3.26Å; R105-N107 PolarHBondContact O-N 2.8Å; N107-N122 PolarHBondContact OD1-ND2 2.81Å
108Q98Very high98.3Very high116 Ų11646.6 Ų46.654%0.54226%0.257SS..  trans-58.2133.5168.2-74.8-178.25.900109N104 T106 I110N104-Q108 PolarHBondContact ND2-O 2.95Å; T106-Q108 PolarHBondContact O-N 2.84Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 WeakPolarHBondContact OG1-CG 3.46Å; T106-Q108 PolarHBondContact OG1-N 2.9Å; Q108-I110 PolarHBondContact O-N 2.73Å
109P98.6Very high98.3Very high92 Ų9250.1 Ų50.160%0.59728%0.28SS*.  trans-57.1138.3-177.7-27.935.8000112.5L111 D116P109-L111 HydrophobicContact CB-CD2 4.47Å; P109-D116 WeakPolarHBondContact CA-OD1 3.38Å; P109-D116 HydrophobicContact CB-CB 4.31Å
110I98.5Very high98.3Very high13 Ų1352.9 Ų52.97%0.06729%0.293CS..  trans-127.7118.5172-60.4170.5000107L98 I100 A101 N104 Q108 D116 V117 M118L98-I110 HydrophobicContact CD1-CG2 3.84Å; L98-I110 HydrophobicContact CD2-CG2 3.64Å; L98-I110 HydrophobicContact CG-CG2 4.41Å; I100-I110 HydrophobicContact CD1-CD1 3.63Å; A101-I110 HydrophobicContact CB-CD1 3.82Å; N104-I110 HydrophobicContact CB-CD1 4.35Å; Q108-I110 PolarHBondContact O-N 2.73Å; I110-D116 PolarHBondContact N-OD1 3.44Å; I110-D116 WeakPolarHBondContact O-CA 3.43Å; I110-V117 HydrophobicContact CB-CG2 4.18Å; I110-V117 PolarHBondContact O-N 3.48Å; I110-M118 HydrophobicContact CD1-SD 4.33Å
111L98.4Very high98.3Very high90 Ų9052.9 Ų52.947%0.47129%0.293SS..EExtended strand (participates in β ladder)trans-95.3131.9-169.6-53.1-176.1000111P109 K115 D116P109-L111 HydrophobicContact CB-CD2 4.47Å; L111-K115 WeakPolarHBondContact CA-O 3.08Å; L111-D116 HydrophobicContact CD2-CB 3.9Å
112V97.9Very high98.3Very high21 Ų2155.3 Ų55.313%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-121.5124163.2178.70000107.3A96 L98 G114 K115 V117A96-V112 HydrophobicContact CB-CG1 4.4Å; A96-V112 HydrophobicContact CB-CG2 3.98Å; L98-V112 HydrophobicContact CD1-CG2 3.28Å; V112-G114 PolarHBondContact O-N 3.08Å; V112-G114 VanDerWaalsContact O-N 3.16Å; V112-K115 PolarHBondContact N-O 2.72Å; V112-K115 PolarHBondContact O-N 3.4Å; V112-V117 HydrophobicContact CB-CG1 3.97Å; V112-V117 HydrophobicContact CG2-CG1 3.66Å
113D96.2Very high98.3Very high131 Ų13160.2 Ų60.270%0.70132%0.324SS*.THydrogen-bonded Turntrans50.441-177.2-63.1-43.4000112.4K88 K115K88-D113 WeakPolarHBondContact CE-OD1 3.29Å; K88-D113 IonicContact NZ-OD1 2.75Å; K88-D113 PolarHBondContact NZ-OD1 3.14Å; K88-D113 IonicContact NZ-OD2 2.9Å; K88-D113 PolarHBondContact NZ-OD2 3.16Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.85Å
114G96.5Very high98.3Very high68 Ų6860.4 Ų60.470%0.70133%0.325SS*.THydrogen-bonded Turntrans78.8-0.9178.900000115.6V112V112-G114 PolarHBondContact O-N 3.08Å; V112-G114 VanDerWaalsContact O-N 3.16Å
115K98.2Very high98.3Very high143 Ų14360.6 Ų60.662%0.62233%0.326SS*.EExtended strand (participates in β ladder)trans-109.9130.7-179-173.6178.2176.9-176.20111.3L111 V112 D113 V117L111-K115 WeakPolarHBondContact CA-O 3.08Å; V112-K115 PolarHBondContact N-O 2.72Å; V112-K115 PolarHBondContact O-N 3.4Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.85Å; K115-V117 PolarHBondContact O-N 3.02Å
116D98.6Very high98.3Very high42 Ų4264.4 Ų64.423%0.22535%0.345CS..EExtended strand (participates in β ladder)trans-65.6128.1172.4-176.215.3000111P109 I110 L111 M118P109-D116 WeakPolarHBondContact CA-OD1 3.38Å; P109-D116 HydrophobicContact CB-CB 4.31Å; I110-D116 PolarHBondContact N-OD1 3.44Å; I110-D116 WeakPolarHBondContact O-CA 3.43Å; L111-D116 HydrophobicContact CD2-CB 3.9Å; D116-M118 WeakPolarHBondContact OD1-CG 3.3Å; D116-M118 PolarHBondContact OD1-N 3.05Å
117V98.6Very high98.3Very high14 Ų1463.9 Ų63.99%0.08534%0.338CS..SBendtrans-85.6-19.6-179.8-56.20000113A101 I110 V112 K115 E120 V121 W267A101-V117 HydrophobicContact CB-CG2 3.87Å; I110-V117 HydrophobicContact CB-CG2 4.18Å; I110-V117 PolarHBondContact O-N 3.48Å; V112-V117 HydrophobicContact CB-CG1 3.97Å; V112-V117 HydrophobicContact CG2-CG1 3.66Å; K115-V117 PolarHBondContact O-N 3.02Å; V117-E120 PolarHBondContact O-N 3.46Å; V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 2.81Å; V117-V121 VanDerWaalsContact O-N 3.1Å; V117-W267 HydrophobicContact CB-CZ2 3.99Å; V117-W267 HydrophobicContact CG1-CZ2 4.22Å; V117-W267 HydrophobicContact CG2-CZ2 4.2Å
118M98.8Very high98.3Very high4 Ų460.1 Ų60.12%0.0232%0.317CS..Hα-helixtrans-60-37.7-173.4-65.8-50.9-53.200114.6A101 N104 I110 D116 E120 V121 N122A101-M118 HydrophobicContact CB-SD 4.27Å; N104-M118 HydrophobicContact CB-CE 3.71Å; N104-M118 HydrophobicContact CB-SD 3.81Å; N104-M118 PolarHBondContact ND2-SD 3.06Å; N104-M118 VanDerWaalsContact ND2-SD 3.38Å; N104-M118 WeakPolarHBondContact O-CE 3.22Å; I110-M118 HydrophobicContact CD1-SD 4.33Å; D116-M118 WeakPolarHBondContact OD1-CG 3.3Å; D116-M118 PolarHBondContact OD1-N 3.05Å; M118-E120 VanDerWaalsContact C-N 3.34Å; M118-E120 PolarHBondContact O-N 2.86Å; M118-V121 HydrophobicContact CE-CB 4.47Å; M118-V121 HydrophobicContact CE-CG1 4.35Å; M118-V121 PolarHBondContact O-N 3.31Å; M118-N122 WeakPolarHBondContact O-CB 3.5Å; M118-N122 PolarHBondContact O-N 3.21Å; M118-N122 PolarHBondContact O-ND2 3.02Å; M118-N122 VanDerWaalsContact O-ND2 3.11Å
119P98.7Very high98.3Very high74 Ų7457.6 Ų57.648%0.48130%0.303SS..Hα-helixtrans-57.7-43.4175.3-27.636.4000113.2N122 R123P119-N122 PolarHBondContact O-N 3.48Å; P119-R123 WeakPolarHBondContact O-CB 3.43Å; P119-R123 PolarHBondContact O-N 2.81Å
120E98.4Very high98.3Very high61 Ų6156.8 Ų56.829%0.28530%0.3SS..Hα-helixtrans-72.8-38.6179.8-69.7-57.7130.300111.8V117 M118 N122 R123 V124 W265V117-E120 PolarHBondContact O-N 3.46Å; M118-E120 VanDerWaalsContact C-N 3.34Å; M118-E120 PolarHBondContact O-N 2.86Å; E120-N122 VanDerWaalsContact C-N 3.34Å; E120-N122 PolarHBondContact O-N 2.9Å; E120-R123 PolarHBondContact O-N 2.94Å; E120-R123 IonicContact OE1-NE 3.04Å; E120-R123 IonicContact OE2-CZ 2.66Å; E120-R123 VanDerWaalsContact OE2-CZ 3.26Å; E120-R123 IonicContact OE2-NE 3.99Å; E120-R123 PolarHBondContact OE2-NE 3.39Å; E120-R123 IonicContact OE2-NH2 3.97Å; E120-R123 PolarHBondContact OE2-NH2 3.03Å; E120-V124 PolarHBondContact O-N 3.49Å; E120-W265 HydrophobicContact CB-CZ2 3.71Å
121V98.6Very high98.3Very high5 Ų556.5 Ų56.53%0.0330%0.298CS..Hα-helixtrans-53.8-51.9171172.60000111L102 V117 M118 R123 V124 L125 W265 W267L102-V121 HydrophobicContact CD2-CG2 4.41Å; V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 2.81Å; V117-V121 VanDerWaalsContact O-N 3.1Å; M118-V121 HydrophobicContact CE-CB 4.47Å; M118-V121 HydrophobicContact CE-CG1 4.35Å; M118-V121 PolarHBondContact O-N 3.31Å; V121-R123 PolarHBondContact O-N 3.14Å; V121-V124 PolarHBondContact O-N 3.42Å; V121-L125 HydrophobicContact CG1-CD1 4.13Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.72Å; V121-W265 VanDerWaalsContact CA-CH2 3.49Å; V121-W265 HydrophobicContact CB-CH2 4.16Å; V121-W265 HydrophobicContact CG2-CE3 4.46Å; V121-W265 HydrophobicContact CG2-CH2 3.66Å; V121-W265 HydrophobicContact CG2-CZ2 4.31Å; V121-W265 HydrophobicContact CG2-CZ3 3.71Å; V121-W267 HydrophobicContact CG2-CH2 3.95Å; V121-W267 HydrophobicContact CG2-CZ2 4.43Å
122N98.8Very high98.3Very high52 Ų5252.2 Ų52.228%0.27828%0.276SS..Hα-helixtrans-68.7-33.3-178.9-71.2-39.6000112.8N107 M118 P119 E120 L125 K126N107-N122 PolarHBondContact OD1-ND2 2.81Å; M118-N122 WeakPolarHBondContact O-CB 3.5Å; M118-N122 PolarHBondContact O-N 3.21Å; M118-N122 PolarHBondContact O-ND2 3.02Å; M118-N122 VanDerWaalsContact O-ND2 3.11Å; P119-N122 PolarHBondContact O-N 3.48Å; E120-N122 VanDerWaalsContact C-N 3.34Å; E120-N122 PolarHBondContact O-N 2.9Å; N122-L125 PolarHBondContact O-N 2.79Å; N122-K126 WeakPolarHBondContact O-CB 3.31Å; N122-K126 PolarHBondContact O-N 3.19Å
123R98.4Very high98.3Very high105 Ų10553.7 Ų53.740%0.39628%0.282SS..Hα-helixtrans-60.7-46.8174-174.3-174.163.279.91111P119 E120 V121 K126 H127 E263P119-R123 WeakPolarHBondContact O-CB 3.43Å; P119-R123 PolarHBondContact O-N 2.81Å; E120-R123 PolarHBondContact O-N 2.94Å; E120-R123 IonicContact OE1-NE 3.04Å; E120-R123 IonicContact OE2-CZ 2.66Å; E120-R123 VanDerWaalsContact OE2-CZ 3.26Å; E120-R123 IonicContact OE2-NE 3.99Å; E120-R123 PolarHBondContact OE2-NE 3.39Å; E120-R123 IonicContact OE2-NH2 3.97Å; E120-R123 PolarHBondContact OE2-NH2 3.03Å; V121-R123 PolarHBondContact O-N 3.14Å; R123-K126 PolarHBondContact O-N 2.99Å; R123-H127 WeakPolarHBondContact O-CB 3.47Å; R123-H127 PolarHBondContact O-N 2.93Å; R123-E263 IonicContact CZ-OE2 2.83Å; R123-E263 IonicContact NH1-OE2 3.86Å; R123-E263 IonicContact NH2-OE2 3.34Å; R123-E263 PolarHBondContact NH2-OE2 3.21Å
124V98.5Very high98.4Very high4 Ų448.3 Ų48.32%0.02426%0.255CS..Hα-helixtrans-65.4-44.5177.7174.40000111E120 V121 K126 H127 M128 E263 W265 A277E120-V124 PolarHBondContact O-N 3.49Å; V121-V124 PolarHBondContact O-N 3.42Å; V124-K126 VanDerWaalsContact C-N 3.31Å; V124-K126 PolarHBondContact O-N 2.76Å; V124-H127 WeakPolarHBondContact O-CB 3.49Å; V124-H127 PolarHBondContact O-N 3.04Å; V124-H127 VanDerWaalsContact O-N 3.11Å; V124-M128 HydrophobicContact CG1-CG 4.37Å; V124-M128 HydrophobicContact CG1-SD 4.18Å; V124-M128 WeakPolarHBondContact O-CG 3.33Å; V124-M128 PolarHBondContact O-N 3.47Å; V124-E263 WeakPolarHBondContact CG1-O 3.46Å; V124-E263 HydrophobicContact CG2-CB 4.26Å; V124-W265 HydrophobicContact CG2-CH2 4.2Å; V124-W265 HydrophobicContact CG2-CZ2 4.24Å; V124-A277 HydrophobicContact CG1-CB 4.13Å
125L98.7Very high98.5Very high14 Ų1445.2 Ų45.27%0.07322%0.223CC..Hα-helixtrans-60-40.4176.1-71.7173.9000112.3V121 N122 H127 M128 R129 M288 F291 L295V121-L125 HydrophobicContact CG1-CD1 4.13Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.72Å; N122-L125 PolarHBondContact O-N 2.79Å; L125-H127 VanDerWaalsContact C-N 3.34Å; L125-M128 HydrophobicContact CD2-SD 4.11Å; L125-M128 PolarHBondContact O-N 3.06Å; L125-R129 PolarHBondContact O-N 2.68Å; L125-M288 WeakPolarHBondContact O-CE 3.38Å; L125-F291 HydrophobicContact CD2-CE1 4.04Å; L125-L295 HydrophobicContact CD1-CD1 4.11Å; L125-L295 HydrophobicContact CD2-CD1 3.9Å
126K98.6Very high98.5Very high156 Ų15641 Ų4168%0.67821%0.207SC*.Hα-helixtrans-63.5-41.6174.2-175.6178.8179.6-179.40111.5N122 R123 V124 R129 S130N122-K126 WeakPolarHBondContact O-CB 3.31Å; N122-K126 PolarHBondContact O-N 3.19Å; R123-K126 PolarHBondContact O-N 2.99Å; V124-K126 VanDerWaalsContact C-N 3.31Å; V124-K126 PolarHBondContact O-N 2.76Å; K126-R129 PolarHBondContact O-N 2.79Å; K126-S130 PolarHBondContact O-N 3.01Å; K126-S130 PolarHBondContact O-OG 3.27Å
127H98.2Very high98.5Very high57 Ų5745.4 Ų45.426%0.26422%0.224SC..Hα-helixtrans-62.7-45.5175.9-175.5-155.3000111.5R123 V124 L125 R129 S130 F131 R259 F262R123-H127 WeakPolarHBondContact O-CB 3.47Å; R123-H127 PolarHBondContact O-N 2.93Å; V124-H127 WeakPolarHBondContact O-CB 3.49Å; V124-H127 PolarHBondContact O-N 3.04Å; V124-H127 VanDerWaalsContact O-N 3.11Å; L125-H127 VanDerWaalsContact C-N 3.34Å; H127-R129 VanDerWaalsContact C-N 3.28Å; H127-R129 PolarHBondContact O-N 3.04Å; H127-S130 PolarHBondContact O-N 2.97Å; H127-F131 PolarHBondContact O-N 2.97Å; H127-F131 VanDerWaalsContact O-N 3.07Å; H127-R259 PolarHBondContact CE1-O 3Å; H127-R259 PolarHBondContact NE2-O 3.02Å; H127-F262 AromaticContact CD2-CE1 3.94Å; H127-F262 AromaticContact CE1-CD1 3.93Å; H127-F262 AromaticContact CE1-CE1 3.61Å; H127-F262 AromaticContact CE1-CZ 3.92Å; H127-F262 AromaticContact CG-CE1 3.81Å; H127-F262 AromaticContact ND1-CD1 3.63Å; H127-F262 AromaticContact ND1-CE1 3.61Å; H127-F262 AromaticContact NE2-CE1 3.82Å
128M98.8Very high98.5Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-55.7-43.9172.4-67.4170.865.300111V124 L125 F131 V132 F262 L280 A283 M288 F291V124-M128 HydrophobicContact CG1-CG 4.37Å; V124-M128 HydrophobicContact CG1-SD 4.18Å; V124-M128 WeakPolarHBondContact O-CG 3.33Å; V124-M128 PolarHBondContact O-N 3.47Å; L125-M128 HydrophobicContact CD2-SD 4.11Å; L125-M128 PolarHBondContact O-N 3.06Å; M128-F131 PolarHBondContact O-N 3.15Å; M128-V132 VanDerWaalsContact O-CB 3.28Å; M128-V132 WeakPolarHBondContact O-CB 3.35Å; M128-V132 WeakPolarHBondContact O-CG2 3.41Å; M128-V132 PolarHBondContact O-N 2.88Å; M128-F262 HydrophobicContact CG-CD1 3.79Å; M128-F262 HydrophobicContact CG-CE1 4.26Å; M128-L280 HydrophobicContact CB-CD1 4.17Å; M128-L280 HydrophobicContact CE-CB 4.39Å; M128-L280 HydrophobicContact CE-CD1 4.33Å; M128-L280 HydrophobicContact CG-CD1 4.1Å; M128-A283 HydrophobicContact CE-CB 4.35Å; M128-M288 HydrophobicContact CB-CE 4.1Å; M128-M288 HydrophobicContact CB-SD 4.19Å; M128-F291 HydrophobicContact CE-CD1 4.36Å; M128-F291 HydrophobicContact CE-CE1 3.72Å; M128-F291 HydrophobicContact CE-CZ 4.08Å
129R98.6Very high98.4Very high63 Ų6351.9 Ų51.924%0.23826%0.26CS..Hα-helixtrans-60.8-49.6178.6-178.8173.8-77.2-84.110.8113.5L125 K126 H127 F131 V132 D133 M288 D289 E292L125-R129 PolarHBondContact O-N 2.68Å; K126-R129 PolarHBondContact O-N 2.79Å; H127-R129 VanDerWaalsContact C-N 3.28Å; H127-R129 PolarHBondContact O-N 3.04Å; R129-F131 VanDerWaalsContact C-N 3.26Å; R129-F131 PolarHBondContact O-N 3.44Å; R129-V132 PolarHBondContact O-N 2.69Å; R129-D133 WeakPolarHBondContact O-CB 3.46Å; R129-D133 VanDerWaalsContact O-CG 3.28Å; R129-D133 PolarHBondContact O-N 2.8Å; R129-M288 HydrophobicContact CB-CE 3.92Å; R129-M288 HydrophobicContact CB-CG 3.8Å; R129-M288 HydrophobicContact CG-CB 4.31Å; R129-M288 HydrophobicContact CG-CG 4.03Å; R129-D289 IonicContact CZ-OD1 3.63Å; R129-D289 IonicContact NH1-OD1 3.18Å; R129-D289 PolarHBondContact NH1-OD1 2.73Å; R129-D289 IonicContact NH2-OD1 3.39Å; R129-D289 PolarHBondContact NH2-OD1 2.92Å; R129-E292 IonicContact CZ-OE1 3.89Å; R129-E292 IonicContact NE-OE1 3.44Å; R129-E292 PolarHBondContact NE-OE1 2.95Å; R129-E292 IonicContact NH2-OE1 3.84Å; R129-E292 PolarHBondContact NH2-OE1 2.81Å; R129-E292 IonicContact NH2-OE2 2.69Å; R129-E292 PolarHBondContact NH2-OE2 3.36Å
130S98.4Very high98.4Very high75 Ų7550.7 Ų50.752%0.52425%0.246SC..Hα-helixtrans-57.8-41.8176.7-64.30000111.8K126 H127 S134K126-S130 PolarHBondContact O-N 3.01Å; K126-S130 PolarHBondContact O-OG 3.27Å; H127-S130 PolarHBondContact O-N 2.97Å; S130-S134 PolarHBondContact O-N 2.85Å
131F98.3Very high98.3Very high8 Ų850.2 Ų50.24%0.03525%0.247CC..Hα-helixtrans-68.5-50.2178.4-175.2-99.9000112.8H127 M128 R129 D133 S134 V135 W140 L203 V242 F262 L280 I284H127-F131 PolarHBondContact O-N 2.97Å; H127-F131 VanDerWaalsContact O-N 3.07Å; M128-F131 PolarHBondContact O-N 3.15Å; R129-F131 VanDerWaalsContact C-N 3.26Å; R129-F131 PolarHBondContact O-N 3.44Å; F131-D133 VanDerWaalsContact C-N 3.32Å; F131-D133 PolarHBondContact O-N 3.02Å; F131-S134 PolarHBondContact O-N 3.41Å; F131-S134 VanDerWaalsContact O-N 3.11Å; F131-S134 PolarHBondContact O-OG 3.02Å; F131-V135 HydrophobicContact CD1-CG2 4.19Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CE2-CG2 4.33Å; F131-V135 HydrophobicContact CZ-CG2 3.83Å; F131-V135 WeakPolarHBondContact O-CG2 3.43Å; F131-V135 PolarHBondContact O-N 2.87Å; F131-W140 AromaticContact CD2-CE3 3.99Å; F131-W140 HydrophobicContact CD2-CE3 3.99Å; F131-W140 HydrophobicContact CD2-CH2 4.44Å; F131-W140 AromaticContact CD2-CZ3 3.88Å; F131-W140 HydrophobicContact CD2-CZ3 3.88Å; F131-W140 AromaticContact CE2-CD2 3.88Å; F131-W140 HydrophobicContact CE2-CD2 3.88Å; F131-W140 AromaticContact CE2-CE3 3.61Å; F131-W140 HydrophobicContact CE2-CE3 3.61Å; F131-W140 AromaticContact CE2-CH2 3.74Å; F131-W140 HydrophobicContact CE2-CH2 3.74Å; F131-W140 AromaticContact CE2-CZ2 3.99Å; F131-W140 HydrophobicContact CE2-CZ2 3.99Å; F131-W140 AromaticContact CE2-CZ3 3.54Å; F131-W140 HydrophobicContact CE2-CZ3 3.54Å; F131-L203 HydrophobicContact CE1-CD2 3.83Å; F131-L203 HydrophobicContact CZ-CD1 4.41Å; F131-L203 HydrophobicContact CZ-CD2 3.61Å; F131-V242 HydrophobicContact CE1-CG1 4.47Å; F131-V242 HydrophobicContact CE2-CG1 3.93Å; F131-V242 HydrophobicContact CZ-CG1 3.64Å; F131-F262 HydrophobicContact CB-CE1 3.97Å; F131-F262 HydrophobicContact CB-CZ 3.69Å; F131-F262 AromaticContact CD1-CZ 3.9Å; F131-F262 HydrophobicContact CD1-CZ 3.9Å; F131-F262 HydrophobicContact CD2-CZ 4.01Å; F131-F262 HydrophobicContact CG-CE1 4.34Å; F131-F262 HydrophobicContact CG-CE2 4.46Å; F131-F262 AromaticContact CG-CZ 3.58Å; F131-F262 HydrophobicContact CG-CZ 3.58Å; F131-L280 HydrophobicContact CD1-CD1 4.07Å; F131-L280 HydrophobicContact CD1-CD2 4.15Å; F131-L280 HydrophobicContact CE1-CD2 4.15Å; F131-I284 HydrophobicContact CD1-CD1 4.28Å; F131-I284 HydrophobicContact CE1-CD1 3.83Å
132V98.6Very high98.2Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-56.1-46.7178.5166.90000111M128 R129 S134 V135 I136 L280 A283 I284 M288M128-V132 VanDerWaalsContact O-CB 3.28Å; M128-V132 WeakPolarHBondContact O-CB 3.35Å; M128-V132 WeakPolarHBondContact O-CG2 3.41Å; M128-V132 PolarHBondContact O-N 2.88Å; R129-V132 PolarHBondContact O-N 2.69Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.18Å; V132-V135 PolarHBondContact O-N 2.85Å; V132-I136 HydrophobicContact CG1-CD1 3.59Å; V132-I136 HydrophobicContact CG1-CG1 4.33Å; V132-I136 WeakPolarHBondContact O-CB 3.4Å; V132-I136 WeakPolarHBondContact O-CG1 3.35Å; V132-I136 PolarHBondContact O-N 2.78Å; V132-L280 HydrophobicContact CG2-CD1 3.9Å; V132-A283 WeakPolarHBondContact CG1-O 3.23Å; V132-A283 HydrophobicContact CG2-CB 3.73Å; V132-I284 HydrophobicContact CG2-CG1 3.81Å; V132-M288 HydrophobicContact CB-CG 3.9Å; V132-M288 HydrophobicContact CG1-CG 3.9Å; V132-M288 HydrophobicContact CG2-CG 4.14Å; V132-M288 HydrophobicContact CG2-SD 4.14Å
133D98.4Very high98.1Very high51 Ų5149 Ų4927%0.27324%0.242SC..Hα-helixtrans-60.6-43.3177.8-74.1-8.4000111R129 F131 V135 I136 K137R129-D133 WeakPolarHBondContact O-CB 3.46Å; R129-D133 VanDerWaalsContact O-CG 3.28Å; R129-D133 PolarHBondContact O-N 2.8Å; F131-D133 VanDerWaalsContact C-N 3.32Å; F131-D133 PolarHBondContact O-N 3.02Å; D133-V135 VanDerWaalsContact C-N 3.34Å; D133-V135 PolarHBondContact O-N 2.81Å; D133-I136 PolarHBondContact O-N 3.2Å; D133-K137 VanDerWaalsContact O-CB 3.24Å; D133-K137 WeakPolarHBondContact O-CB 3Å; D133-K137 WeakPolarHBondContact O-CD 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.37Å; D133-K137 PolarHBondContact O-N 2.86Å
134S98.2Very high98Very high19 Ų1947.1 Ų47.113%0.13324%0.243CC..Hα-helixtrans-63.4-38.5179.176.80000112.5S130 F131 V132 G138 E139 W140S130-S134 PolarHBondContact O-N 2.85Å; F131-S134 PolarHBondContact O-N 3.41Å; F131-S134 VanDerWaalsContact O-N 3.11Å; F131-S134 PolarHBondContact O-OG 3.02Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.18Å; S134-G138 PolarHBondContact O-N 2.82Å; S134-E139 PolarHBondContact O-N 3.35Å; S134-W140 PolarHBondContact O-N 3.22Å
135V98.5Very high97.9Very high3 Ų349.2 Ų49.22%0.01827%0.265CS..Hα-helixtrans-70.8-49.8178.1173.40000110.7F131 V132 D133 K137 G138 W140 I148 P177 L203 I284F131-V135 HydrophobicContact CD1-CG2 4.19Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CE2-CG2 4.33Å; F131-V135 HydrophobicContact CZ-CG2 3.83Å; F131-V135 WeakPolarHBondContact O-CG2 3.43Å; F131-V135 PolarHBondContact O-N 2.87Å; V132-V135 PolarHBondContact O-N 2.85Å; D133-V135 VanDerWaalsContact C-N 3.34Å; D133-V135 PolarHBondContact O-N 2.81Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 2.8Å; V135-G138 PolarHBondContact O-N 2.77Å; V135-G138 VanDerWaalsContact O-N 3.12Å; V135-W140 HydrophobicContact CG2-CB 3.91Å; V135-W140 HydrophobicContact CG2-CG 4.12Å; V135-I148 HydrophobicContact CG1-CB 4.34Å; V135-I148 HydrophobicContact CG1-CG2 4.47Å; V135-P177 HydrophobicContact CG1-CG 3.85Å; V135-L203 HydrophobicContact CG2-CD2 4.25Å; V135-I284 HydrophobicContact CG1-CG2 3.89Å
136I98.3Very high97.9Very high54 Ų5452.8 Ų52.828%0.27728%0.28SS..Hα-helixtrans-65.4-37.1-177.2-67.9175.6000111.5V132 D133 G138 I175 I284V132-I136 HydrophobicContact CG1-CD1 3.59Å; V132-I136 HydrophobicContact CG1-CG1 4.33Å; V132-I136 WeakPolarHBondContact O-CB 3.4Å; V132-I136 WeakPolarHBondContact O-CG1 3.35Å; V132-I136 PolarHBondContact O-N 2.78Å; D133-I136 PolarHBondContact O-N 3.2Å; I136-G138 PolarHBondContact O-N 3.25Å; I136-I175 HydrophobicContact CD1-CD1 4.27Å; I136-I175 HydrophobicContact CD1-CG1 4.23Å; I136-I284 WeakPolarHBondContact CD1-O 3.32Å
137K98.1Very high97.9Very high134 Ų13448.6 Ų48.658%0.58327%0.269SS*.THydrogen-bonded Turntrans-76.4-6.8177.2-67.2171.1-175.2168.30113.6D133 V135 E139D133-K137 VanDerWaalsContact O-CB 3.24Å; D133-K137 WeakPolarHBondContact O-CB 3Å; D133-K137 WeakPolarHBondContact O-CD 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.37Å; D133-K137 PolarHBondContact O-N 2.86Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 2.8Å; K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 HydrophobicContact CB-CG 4.03Å; K137-E139 PolarHBondContact O-N 3.04Å
138G97.9Very high97.9Very high25 Ų2546.4 Ų46.426%0.25826%0.259SS..THydrogen-bonded Turntrans73.914.5-176.500000114.4S134 V135 I136S134-G138 PolarHBondContact O-N 2.82Å; V135-G138 PolarHBondContact O-N 2.77Å; V135-G138 VanDerWaalsContact O-N 3.12Å; I136-G138 PolarHBondContact O-N 3.25Å
139E98Very high97.9Very high129 Ų12948.8 Ų48.860%0.60327%0.273SS*.  trans-73.5-34.3174.9-63.2171.5-175.200110.9S134 K137 V141S134-E139 PolarHBondContact O-N 3.35Å; K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 HydrophobicContact CB-CG 4.03Å; K137-E139 PolarHBondContact O-N 3.04Å; E139-V141 PolarHBondContact O-N 3.25Å
140W97.6Very high97.9Very high50 Ų5046 Ų4619%0.18926%0.263CS..SBendtrans-76.2110.2169.1-168.5-76000109.8F131 S134 V135 K239F131-W140 AromaticContact CD2-CE3 3.99Å; F131-W140 HydrophobicContact CD2-CE3 3.99Å; F131-W140 HydrophobicContact CD2-CH2 4.44Å; F131-W140 AromaticContact CD2-CZ3 3.88Å; F131-W140 HydrophobicContact CD2-CZ3 3.88Å; F131-W140 AromaticContact CE2-CD2 3.88Å; F131-W140 HydrophobicContact CE2-CD2 3.88Å; F131-W140 AromaticContact CE2-CE3 3.61Å; F131-W140 HydrophobicContact CE2-CE3 3.61Å; F131-W140 AromaticContact CE2-CH2 3.74Å; F131-W140 HydrophobicContact CE2-CH2 3.74Å; F131-W140 AromaticContact CE2-CZ2 3.99Å; F131-W140 HydrophobicContact CE2-CZ2 3.99Å; F131-W140 AromaticContact CE2-CZ3 3.54Å; F131-W140 HydrophobicContact CE2-CZ3 3.54Å; S134-W140 PolarHBondContact O-N 3.22Å; V135-W140 HydrophobicContact CG2-CB 3.91Å; V135-W140 HydrophobicContact CG2-CG 4.12Å; W140-K239 PolarHBondContact NE1-O 3.11Å
141V97.7Very high97.9Very high51 Ų5142.4 Ų42.431%0.30924%0.238SC..BIsolated β-bridgetrans-111.3145.3-177.6-63.10000112.2E139 G145 K146E139-V141 PolarHBondContact O-N 3.25Å; V141-G145 WeakPolarHBondContact CG1-O 3.42Å; V141-K146 CarbonylContact C-O 3.5Å; V141-K146 WeakPolarHBondContact CA-O 3.43Å
142G96.4Very high97.9Very high0 Ų042 Ų420%024%0.236CC..  trans-70.9-171.617500000113.6T144 G145 K146 H240G142-T144 PolarHBondContact O-N 3.2Å; G142-T144 VanDerWaalsContact O-N 3.12Å; G142-G145 PolarHBondContact O-N 3.2Å; G142-K146 PolarHBondContact N-O 2.86Å; G142-H240 VanDerWaalsContact CA-NE2 3.29Å; G142-H240 WeakPolarHBondContact CA-NE2 3.33Å
143C95.5Very high97.9Very high31 Ų3142 Ų4221%0.20924%0.236CC..THydrogen-bonded Turntrans-62.3-23.1-174.461.70000113.4F227 M236 H240C143-F227 HydrophobicContact CB-CZ 4.41Å; C143-M236 HydrophobicContact CB-CB 3.95Å; C143-M236 HydrophobicContact CB-CG 3.77Å; C143-M236 HydrophobicContact CB-SD 3.73Å; C143-H240 PolarHBondContact N-NE2 2.73Å
144T96.1Very high98Very high66 Ų6639.6 Ų39.641%0.40522%0.223SC..THydrogen-bonded Turntrans-104.910.8177.561.10000113.7G142 K146 E200G142-T144 PolarHBondContact O-N 3.2Å; G142-T144 VanDerWaalsContact O-N 3.12Å; T144-K146 VanDerWaalsContact C-N 3.3Å; T144-K146 PolarHBondContact O-N 2.85Å; T144-E200 VanDerWaalsContact CB-OE2 3.22Å; T144-E200 WeakPolarHBondContact CB-OE2 3.18Å; T144-E200 HydrophobicContact CG2-CG 3.86Å; T144-E200 WeakPolarHBondContact CG2-OE2 3.12Å; T144-E200 PolarHBondContact OG1-OE2 2.93Å
145G96.7Very high98Very high48 Ų4838.7 Ų38.750%0.49522%0.217SC..SBendtrans80.26.3179.600000114.7V141 G142V141-G145 WeakPolarHBondContact CG1-O 3.42Å; G142-G145 PolarHBondContact O-N 3.2Å
146K98.3Very high97.9Very high89 Ų8941.5 Ų41.539%0.38723%0.231SC..PPolyproline II helixtrans-82.1144.9175.6-65.9174.7-178.3165.80111.3V141 G142 T144 E200 T201V141-K146 CarbonylContact C-O 3.5Å; V141-K146 WeakPolarHBondContact CA-O 3.43Å; G142-K146 PolarHBondContact N-O 2.86Å; T144-K146 VanDerWaalsContact C-N 3.3Å; T144-K146 PolarHBondContact O-N 2.85Å; K146-E200 HydrophobicContact CD-CB 4.3Å; K146-E200 VanDerWaalsContact CE-OE2 3.3Å; K146-E200 WeakPolarHBondContact CE-OE2 3.25Å; K146-E200 IonicContact NZ-OE1 3.45Å; K146-E200 PolarHBondContact NZ-OE1 2.79Å; K146-E200 IonicContact NZ-OE2 3.26Å; K146-E200 PolarHBondContact NZ-OE2 2.88Å; K146-T201 HydrophobicContact CB-CG2 3.68Å; K146-T201 HydrophobicContact CD-CG2 4.04Å
147P98.4Very high97.8Very high68 Ų6840 Ų4044%0.44223%0.229SC..BIsolated β-bridgetrans-66.3152.5173.529.2-35.1000111.4T201P147-T201 WeakPolarHBondContact O-CG2 3.48Å
148I98.6Very high97.6Very high10 Ų1034 Ų345%0.05121%0.205CC..PPolyproline II helixtrans-69.2131178.2-59-57000110.6V135 D150 V151 P177 T201 L203V135-I148 HydrophobicContact CG1-CB 4.34Å; V135-I148 HydrophobicContact CG1-CG2 4.47Å; I148-D150 VanDerWaalsContact CG2-O 3.28Å; I148-D150 WeakPolarHBondContact CG2-O 3.4Å; I148-V151 HydrophobicContact CG2-CG2 4.21Å; I148-P177 HydrophobicContact CG2-CG 4.47Å; I148-T201 WeakPolarHBondContact CA-O 3.4Å; I148-L203 HydrophobicContact CD1-CB 4.3Å; I148-L203 HydrophobicContact CG1-CB 4.32Å; I148-L203 HydrophobicContact CG2-CB 3.74Å
149T98.7Very high97.6Very high51 Ų5133.5 Ų33.531%0.31320%0.198SC..  trans-112.7-20.8177.5600000113.1R178 T201T149-R178 PolarHBondContact O-N 3.36Å; T149-T201 HydrophobicContact CG2-CG2 4.46Å; T149-T201 PolarHBondContact N-O 2.8Å; T149-T201 VanDerWaalsContact OG1-CB 3.32Å; T149-T201 WeakPolarHBondContact OG1-CB 3.48Å; T149-T201 PolarHBondContact OG1-OG1 3.14Å
150D98.9Very high97.6Very high3 Ų327.8 Ų27.82%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-135.5137.7-176.2-63.3-90.7000110.2I148 R178 H180 V197 T201 T202 L203I148-D150 VanDerWaalsContact CG2-O 3.28Å; I148-D150 WeakPolarHBondContact CG2-O 3.4Å; D150-R178 CarbonylContact C-O 3.37Å; D150-R178 WeakPolarHBondContact CA-O 3.34Å; D150-R178 VanDerWaalsContact CG-NH2 3.29Å; D150-R178 IonicContact OD1-CZ 2.69Å; D150-R178 IonicContact OD1-NE 3.86Å; D150-R178 PolarHBondContact OD1-NE 2.87Å; D150-R178 IonicContact OD1-NH2 3.37Å; D150-R178 PolarHBondContact OD1-NH2 2.93Å; D150-R178 IonicContact OD2-CZ 2.85Å; D150-R178 IonicContact OD2-NE 3.58Å; D150-R178 IonicContact OD2-NH2 3.94Å; D150-R178 PolarHBondContact OD2-NH2 2.69Å; D150-H180 IonicContact OD1-CD2 2.72Å; D150-H180 IonicContact OD1-CE1 3.74Å; D150-H180 IonicContact OD1-NE2 3.54Å; D150-H180 PolarHBondContact OD1-NE2 3.07Å; D150-V197 HydrophobicContact CB-CB 4.4Å; D150-V197 HydrophobicContact CB-CG1 3.93Å; D150-T201 PolarHBondContact N-O 3.48Å; D150-T202 HydrophobicContact CB-CG2 4.46Å; D150-T202 CarbonylContact O-C 3.42Å; D150-T202 WeakPolarHBondContact O-CA 3.36Å; D150-L203 PolarHBondContact O-N 3.14Å
151V98.9Very high97.6Very high0 Ų027 Ų270%017%0.171CC..EExtended strand (participates in β ladder)trans-121.6127.7174.2175.70000108I148 P177 R178 V179 H180 L203 I205 I284I148-V151 HydrophobicContact CG2-CG2 4.21Å; V151-P177 HydrophobicContact CG2-CB 4Å; V151-P177 HydrophobicContact CG2-CG 4.31Å; V151-R178 PolarHBondContact N-O 2.79Å; V151-V179 HydrophobicContact CB-CG1 4.23Å; V151-V179 CarbonylContact O-C 3.48Å; V151-V179 WeakPolarHBondContact O-CA 3.34Å; V151-H180 PolarHBondContact O-N 3.28Å; V151-L203 CarbonylContact C-O 3.57Å; V151-L203 VanDerWaalsContact CA-O 3.25Å; V151-L203 WeakPolarHBondContact CA-O 3.41Å; V151-L203 HydrophobicContact CG2-CB 4.31Å; V151-L203 HydrophobicContact CG2-CD2 4.36Å; V151-I205 HydrophobicContact CG1-CD1 3.43Å; V151-I205 VanDerWaalsContact CG1-CD1 3.43Å; V151-I205 HydrophobicContact CG1-CG1 3.91Å; V151-I284 HydrophobicContact CG1-CD1 4.49Å; V151-I284 HydrophobicContact CG2-CG2 3.9Å
152I98.9Very high97.7Very high0 Ų024.7 Ų24.70%016%0.157CC..EExtended strand (participates in β ladder)trans-113.9111.2177.8-55.4-177.1000108.5I154 H180 V182 T193 L194 V197 T202 L203 F204 I205I152-I154 HydrophobicContact CG2-CG1 4.01Å; I152-H180 WeakPolarHBondContact CA-O 3.3Å; I152-H180 HydrophobicContact CG1-CB 4.13Å; I152-V182 HydrophobicContact CG2-CB 4.39Å; I152-V182 HydrophobicContact CG2-CG2 3.76Å; I152-T193 HydrophobicContact CD1-CG2 3.78Å; I152-T193 HydrophobicContact CG1-CG2 4.32Å; I152-T193 HydrophobicContact CG2-CG2 4.36Å; I152-L194 HydrophobicContact CD1-CD2 4.31Å; I152-V197 HydrophobicContact CD1-CG1 4.23Å; I152-V197 HydrophobicContact CD1-CG2 3.95Å; I152-T202 HydrophobicContact CD1-CG2 3.66Å; I152-T202 HydrophobicContact CG1-CG2 3.82Å; I152-L203 PolarHBondContact N-O 2.6Å; I152-F204 HydrophobicContact CB-CD1 3.82Å; I152-F204 HydrophobicContact CB-CE1 4.07Å; I152-F204 HydrophobicContact CD1-CD1 4.24Å; I152-F204 HydrophobicContact CD1-CE1 3.58Å; I152-F204 HydrophobicContact CD1-CZ 4.12Å; I152-F204 HydrophobicContact CG1-CD1 4.45Å; I152-F204 HydrophobicContact CG1-CE1 4.26Å; I152-F204 HydrophobicContact CG2-CD1 4.21Å; I152-F204 HydrophobicContact CG2-CE1 4.37Å; I152-F204 WeakPolarHBondContact O-CA 3.26Å; I152-I205 PolarHBondContact O-N 2.9Å
153N98.9Very high97.8Very high1 Ų124.7 Ų24.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-82.4117170.4-175.292.6000109.6S159 H180 F181 V182N153-S159 PolarHBondContact ND2-O 2.81Å; N153-H180 PolarHBondContact N-O 3.34Å; N153-F181 HydrophobicContact CB-CD1 3.76Å; N153-F181 HydrophobicContact CB-CE1 3.9Å; N153-F181 WeakPolarHBondContact O-CA 3.43Å; N153-V182 PolarHBondContact O-N 3.33Å
154I98.9Very high98Very high0 Ų024.8 Ų24.80%016%0.155CC..EExtended strand (participates in β ladder)trans-105.5110.3175.3-53.2-174000108.6I152 V182 F204 I205 I206 A207 T216 N219 A223I152-I154 HydrophobicContact CG2-CG1 4.01Å; I154-V182 VanDerWaalsContact CA-O 3.31Å; I154-V182 WeakPolarHBondContact CA-O 3.22Å; I154-V182 HydrophobicContact CG1-CB 4.31Å; I154-F204 HydrophobicContact CD1-CD1 3.93Å; I154-I205 PolarHBondContact N-O 2.87Å; I154-I206 HydrophobicContact CB-CD1 4.03Å; I154-I206 HydrophobicContact CD1-CD1 3.93Å; I154-I206 HydrophobicContact CG1-CD1 4.22Å; I154-A207 PolarHBondContact O-N 3.44Å; I154-T216 HydrophobicContact CG2-CG2 4.22Å; I154-T216 WeakPolarHBondContact O-CG2 3.2Å; I154-N219 HydrophobicContact CG2-CB 3.55Å; I154-A223 HydrophobicContact CD1-CB 3.76Å
155G98.3Very high98.1Very high0 Ų021.7 Ų21.70%014%0.136CC..  trans-172.9162.2-176.400000110.4D160 V182 S183 A207G155-D160 WeakPolarHBondContact O-CB 3.5Å; G155-V182 PolarHBondContact N-O 3.28Å; G155-V182 VanDerWaalsContact N-O 3.12Å; G155-S183 WeakPolarHBondContact O-CA 3.46Å; G155-S183 WeakPolarHBondContact O-CB 3.28Å; G155-A207 WeakPolarHBondContact CA-O 3Å
156I97.4Very high98.2Very high62 Ų6219.4 Ų19.432%0.31811%0.113SC..  trans-130.9152.4179.1-164.5167.6000111.3G158 S159 T213 E215I156-G158 PolarHBondContact O-N 3.49Å; I156-S159 PolarHBondContact O-N 3.35Å; I156-T213 HydrophobicContact CG2-CG2 3.79Å; I156-E215 HydrophobicContact CD1-CB 4.16Å; I156-E215 HydrophobicContact CD1-CG 4.14Å
157G95.4Very high98.2Very high22 Ų2215.2 Ų15.223%0.2279%0.094CC..G310 helixtrans61.3-117.6-179.900000111.3S159 D160 L161 Q352G157-S159 PolarHBondContact O-N 2.94Å; G157-D160 PolarHBondContact O-N 3.2Å; G157-L161 PolarHBondContact O-N 3.16Å; G157-Q352 VanDerWaalsContact C-OE1 3.26Å
158G94.5Very high98.3Very high8 Ų813.9 Ų13.98%0.0828%0.082CC..G310 helixtrans-66-22.3-177.400000114.1I156 D160 G270 S273 Q352I156-G158 PolarHBondContact O-N 3.49Å; G158-D160 VanDerWaalsContact C-N 3.27Å; G158-G270 CarbonylContact C-O 3.57Å; G158-G270 WeakPolarHBondContact CA-O 3.32Å; G158-S273 PolarHBondContact O-OG 2.77Å; G158-Q352 VanDerWaalsContact N-NE2 3.14Å
159S97.1Very high98.3Very high15 Ų1513.4 Ų13.411%0.1058%0.08CC..G310 helixtrans-877.3176-60.50000113.5N153 I156 G157 A207N153-S159 PolarHBondContact ND2-O 2.81Å; I156-S159 PolarHBondContact O-N 3.35Å; G157-S159 PolarHBondContact O-N 2.94Å; S159-A207 VanDerWaalsContact CB-O 3.23Å; S159-A207 WeakPolarHBondContact CB-O 3.23Å; S159-A207 PolarHBondContact OG-O 3.43Å
160D98.5Very high98.3Very high9 Ų911 Ų115%0.0487%0.066CC..THydrogen-bonded Turntrans-132.2-59.5-177.7-178.354.4000112G155 G157 G158 G162 P163 L164 S183G155-D160 WeakPolarHBondContact O-CB 3.5Å; G157-D160 PolarHBondContact O-N 3.2Å; G158-D160 VanDerWaalsContact C-N 3.27Å; D160-G162 PolarHBondContact O-N 2.67Å; D160-P163 WeakPolarHBondContact O-CD 3.43Å; D160-L164 WeakPolarHBondContact O-CB 3.28Å; D160-L164 PolarHBondContact O-N 3.17Å; D160-S183 VanDerWaalsContact CG-CB 3.42Å; D160-S183 VanDerWaalsContact OD2-CB 3.26Å; D160-S183 WeakPolarHBondContact OD2-CB 3.36Å; D160-S183 PolarHBondContact OD2-OG 3.12Å
161L98.4Very high98.3Very high33 Ų3314.3 Ų14.317%0.1738%0.08CC..Hα-helixtrans-62.2-40-166.4-71.8176.4000113.4G157 M165 Y349 Q352G157-L161 PolarHBondContact O-N 3.16Å; L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; L161-Y349 HydrophobicContact CB-CD2 4.35Å; L161-Q352 HydrophobicContact CD1-CB 3.79Å; L161-Q352 HydrophobicContact CD1-CG 4.49Å
162G98.7Very high98.2Very high2 Ų216.6 Ų16.62%0.02110%0.099CC..Hα-helixtrans-63.8-60.1176.800000111.9D160 L164 M165 V166 Y349D160-G162 PolarHBondContact O-N 2.67Å; G162-L164 PolarHBondContact O-N 2.91Å; G162-M165 PolarHBondContact O-N 3.11Å; G162-V166 WeakPolarHBondContact O-CG2 3.37Å; G162-V166 PolarHBondContact O-N 3.46Å; G162-Y349 VanDerWaalsContact CA-CE2 3.49Å
163P98.8Very high98.2Very high0 Ų017.8 Ų17.80%011%0.107CC..Hα-helixtrans-48.9-50.5173.1-32.939.2000114.5D160 V166 T167 F181 I278 S281 I282D160-P163 WeakPolarHBondContact O-CD 3.43Å; P163-V166 PolarHBondContact O-N 3.09Å; P163-T167 WeakPolarHBondContact O-CG2 3.16Å; P163-T167 PolarHBondContact O-N 2.8Å; P163-T167 PolarHBondContact O-OG1 3.41Å; P163-T167 VanDerWaalsContact O-OG1 3.04Å; P163-F181 HydrophobicContact CB-CD1 4.42Å; P163-F181 HydrophobicContact CB-CE1 3.58Å; P163-F181 HydrophobicContact CB-CZ 4.33Å; P163-I278 HydrophobicContact CG-CG2 3.69Å; P163-I278 WeakPolarHBondContact CG-O 3.47Å; P163-S281 WeakPolarHBondContact CB-OG 3.32Å; P163-I282 HydrophobicContact CB-CG1 4.33Å
164L98.9Very high98.2Very high34 Ų3421.5 Ų21.518%0.17812%0.124CC..Hα-helixtrans-58-53.5178.5171.661.4000111.6D160 G162 V166 T167 E168 F181 R345D160-L164 WeakPolarHBondContact O-CB 3.28Å; D160-L164 PolarHBondContact O-N 3.17Å; G162-L164 PolarHBondContact O-N 2.91Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 3.08Å; L164-T167 PolarHBondContact O-N 2.69Å; L164-T167 PolarHBondContact O-OG1 3Å; L164-E168 HydrophobicContact CD1-CG 4.01Å; L164-E168 WeakPolarHBondContact O-CB 3.21Å; L164-E168 WeakPolarHBondContact O-CG 3.27Å; L164-E168 PolarHBondContact O-N 3.39Å; L164-F181 HydrophobicContact CB-CD1 3.97Å; L164-F181 HydrophobicContact CB-CD2 4.13Å; L164-F181 HydrophobicContact CB-CE1 4.22Å; L164-F181 HydrophobicContact CB-CE2 4.34Å; L164-F181 HydrophobicContact CB-CG 3.94Å; L164-F181 HydrophobicContact CB-CZ 4.39Å; L164-F181 HydrophobicContact CD1-CB 4.34Å; L164-F181 HydrophobicContact CD1-CD2 3.46Å; L164-F181 VanDerWaalsContact CD1-CD2 3.46Å; L164-F181 HydrophobicContact CD1-CE2 3.92Å; L164-F181 HydrophobicContact CD1-CG 3.93Å; L164-F181 HydrophobicContact CG-CD2 4.37Å; L164-F181 HydrophobicContact CG-CG 4.45Å; L164-R345 HydrophobicContact CG-CG 4.47Å
165M98.9Very high98.1Very high1 Ų126.7 Ų26.71%0.00515%0.151CC..Hα-helixtrans-60.1-43.6-177.4178.1-82.5-68.500111.8L161 G162 E168 A169 R345 F346 Y349 L485 I489L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; G162-M165 PolarHBondContact O-N 3.11Å; M165-E168 PolarHBondContact O-N 2.92Å; M165-A169 VanDerWaalsContact O-CB 3.24Å; M165-A169 WeakPolarHBondContact O-CB 3.41Å; M165-A169 PolarHBondContact O-N 2.91Å; M165-A169 HydrophobicContact SD-CB 4.46Å; M165-R345 HydrophobicContact CB-CB 3.94Å; M165-R345 HydrophobicContact CG-CB 4.08Å; M165-F346 HydrophobicContact SD-CD2 4.2Å; M165-Y349 HydrophobicContact CE-CD1 3.65Å; M165-Y349 HydrophobicContact CE-CD2 3.97Å; M165-Y349 HydrophobicContact CE-CE1 4.11Å; M165-Y349 HydrophobicContact CE-CE2 4.38Å; M165-Y349 HydrophobicContact CE-CG 3.57Å; M165-Y349 HydrophobicContact CG-CG 4.5Å; M165-L485 HydrophobicContact SD-CD1 4.46Å; M165-I489 HydrophobicContact CE-CD1 3.7Å; M165-I489 HydrophobicContact CE-CG1 4.01Å
166V98.9Very high98.1Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-69.7-40.8-178.21760000111.7G162 P163 L164 E168 A169 L170 L274 I282 L294 L485 I489G162-V166 WeakPolarHBondContact O-CG2 3.37Å; G162-V166 PolarHBondContact O-N 3.46Å; P163-V166 PolarHBondContact O-N 3.09Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 3.08Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.5Å; V166-A169 PolarHBondContact O-N 3.19Å; V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.32Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 WeakPolarHBondContact O-CG 3.32Å; V166-L170 PolarHBondContact O-N 3.44Å; V166-L274 HydrophobicContact CG2-CD1 4.27Å; V166-L274 HydrophobicContact CG2-CD2 4.13Å; V166-I282 HydrophobicContact CB-CD1 3.74Å; V166-I282 HydrophobicContact CB-CG1 4.08Å; V166-I282 HydrophobicContact CB-CG2 4.39Å; V166-I282 HydrophobicContact CG1-CB 4.48Å; V166-I282 HydrophobicContact CG1-CD1 3.87Å; V166-I282 HydrophobicContact CG1-CG1 4.13Å; V166-I282 HydrophobicContact CG1-CG2 3.53Å; V166-I282 HydrophobicContact CG2-CD1 4.11Å; V166-L294 HydrophobicContact CG1-CD2 3.8Å; V166-L485 HydrophobicContact CB-CD2 4.5Å; V166-L485 HydrophobicContact CG1-CD2 4.07Å; V166-L485 HydrophobicContact CG2-CD2 4.38Å; V166-I489 HydrophobicContact CG2-CD1 4.06Å
167T98.9Very high98.2Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-66.6-35.2176.4540000112.3P163 L164 K171 V179 F181 I282 Y285P163-T167 WeakPolarHBondContact O-CG2 3.16Å; P163-T167 PolarHBondContact O-N 2.8Å; P163-T167 PolarHBondContact O-OG1 3.41Å; P163-T167 VanDerWaalsContact O-OG1 3.04Å; L164-T167 PolarHBondContact O-N 2.69Å; L164-T167 PolarHBondContact O-OG1 3Å; T167-K171 PolarHBondContact O-N 2.63Å; T167-V179 HydrophobicContact CG2-CG2 4.07Å; T167-F181 HydrophobicContact CG2-CZ 4.03Å; T167-F181 WeakPolarHBondContact OG1-CE2 3.49Å; T167-F181 WeakPolarHBondContact OG1-CZ 3.47Å; T167-I282 HydrophobicContact CG2-CB 4.4Å; T167-I282 HydrophobicContact CG2-CG1 4.2Å; T167-Y285 HydrophobicContact CG2-CD1 3.74Å; T167-Y285 HydrophobicContact CG2-CG 4.04Å; T167-Y285 VanDerWaalsContact O-CE1 3.27Å; T167-Y285 WeakPolarHBondContact O-CE1 3.19Å
168E98.9Very high98.3Very high40 Ų4030.3 Ų30.319%0.18716%0.16CC..Hα-helixtrans-67.9-43.9173.9-73.7-64.3117.200111.5L164 M165 V166 L170 K171 Y342 H344L164-E168 HydrophobicContact CD1-CG 4.01Å; L164-E168 WeakPolarHBondContact O-CB 3.21Å; L164-E168 WeakPolarHBondContact O-CG 3.27Å; L164-E168 PolarHBondContact O-N 3.39Å; M165-E168 PolarHBondContact O-N 2.92Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.5Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 2.91Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 WeakPolarHBondContact OE1-CE 3.47Å; E168-K171 IonicContact OE1-NZ 3.93Å; E168-K171 PolarHBondContact OE1-NZ 2.83Å; E168-K171 IonicContact OE2-NZ 2.68Å; E168-K171 PolarHBondContact OE2-NZ 3.09Å; E168-Y342 CarbonylContact C-O 3.4Å; E168-Y342 WeakPolarHBondContact O-CB 3.4Å; E168-Y342 WeakPolarHBondContact O-CD1 3.39Å; E168-H344 WeakPolarHBondContact CG-NE2 3.49Å; E168-H344 IonicContact OE2-CD2 2.88Å; E168-H344 IonicContact OE2-CE1 3.71Å; E168-H344 IonicContact OE2-NE2 3.83Å; E168-H344 PolarHBondContact OE2-NE2 3.28Å
169A98.9Very high98.5Very high1 Ų131.1 Ų31.11%0.00816%0.163CC..Hα-helixtrans-63.2-34.5178.100000113.3M165 V166 Y342 L343 L485M165-A169 VanDerWaalsContact O-CB 3.24Å; M165-A169 WeakPolarHBondContact O-CB 3.41Å; M165-A169 PolarHBondContact O-N 2.91Å; M165-A169 HydrophobicContact SD-CB 4.46Å; V166-A169 PolarHBondContact O-N 3.19Å; A169-Y342 WeakPolarHBondContact CA-O 3.4Å; A169-Y342 PolarHBondContact N-O 3.09Å; A169-L343 HydrophobicContact CB-CD2 3.77Å; A169-L485 HydrophobicContact CB-CD1 4.28Å; A169-L485 HydrophobicContact CB-CD2 3.56Å
170L98.9Very high98.6Very high1 Ų132.1 Ų32.11%0.00517%0.166CC..THydrogen-bonded Turntrans-10825.3-175.5-59.1179000113V166 E168 A172 C173 I286 V480 P482 L485V166-L170 HydrophobicContact CG1-CD1 3.72Å; V166-L170 HydrophobicContact CG1-CG 4.32Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 WeakPolarHBondContact O-CG 3.32Å; V166-L170 PolarHBondContact O-N 3.44Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 2.91Å; L170-A172 PolarHBondContact O-N 3.12Å; L170-C173 HydrophobicContact CB-CB 4.38Å; L170-C173 WeakPolarHBondContact O-CA 3.47Å; L170-C173 WeakPolarHBondContact O-CB 3.35Å; L170-C173 PolarHBondContact O-N 2.87Å; L170-I286 HydrophobicContact CB-CG2 4.05Å; L170-I286 HydrophobicContact CD1-CD1 3.59Å; L170-V480 HydrophobicContact CD2-CG1 4.45Å; L170-P482 HydrophobicContact CD1-CB 3.99Å; L170-P482 HydrophobicContact CD1-CG 4.08Å; L170-P482 HydrophobicContact CD2-CG 4.2Å; L170-L485 HydrophobicContact CD1-CD2 3.94Å; L170-L485 HydrophobicContact CD2-CB 4.39Å; L170-L485 HydrophobicContact CD2-CD2 3.87Å; L170-L485 HydrophobicContact CG-CD2 3.65Å
171K98.7Very high98.6Very high71 Ų7132.7 Ų32.731%0.30917%0.168SC..G310 helixtrans-54.7-34.4178-176.5160.5-70.6166.20113.3T167 E168 C173 Q174 Y342T167-K171 PolarHBondContact O-N 2.63Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 WeakPolarHBondContact OE1-CE 3.47Å; E168-K171 IonicContact OE1-NZ 3.93Å; E168-K171 PolarHBondContact OE1-NZ 2.83Å; E168-K171 IonicContact OE2-NZ 2.68Å; E168-K171 PolarHBondContact OE2-NZ 3.09Å; K171-C173 PolarHBondContact O-N 3.29Å; K171-Q174 WeakPolarHBondContact O-CB 3.38Å; K171-Q174 PolarHBondContact O-N 3.38Å; K171-Y342 HydrophobicContact CB-CD1 3.83Å; K171-Y342 HydrophobicContact CB-CE1 3.58Å; K171-Y342 HydrophobicContact CD-CD1 4.4Å; K171-Y342 HydrophobicContact CD-CE1 3.88Å; K171-Y342 HydrophobicContact CG-CE1 3.88Å
172A98Very high98.7Very high49 Ų4931.1 Ų31.141%0.40516%0.16SC..G310 helixtrans-67.2-12.7174.300000114.3L170 Y342 H411L170-A172 PolarHBondContact O-N 3.12Å; A172-Y342 HydrophobicContact CB-CE2 4.09Å; A172-H411 HydrophobicContact CB-CB 3.91Å; A172-H411 VanDerWaalsContact CB-ND1 3.3Å; A172-H411 WeakPolarHBondContact CB-ND1 3.29Å
173C98.2Very high98.6Very high24 Ų2432 Ų3216%0.16217%0.166CC..G310 helixtrans-102.79.2178-58.10000112.9L170 K171 I175 I286L170-C173 HydrophobicContact CB-CB 4.38Å; L170-C173 WeakPolarHBondContact O-CA 3.47Å; L170-C173 WeakPolarHBondContact O-CB 3.35Å; L170-C173 PolarHBondContact O-N 2.87Å; K171-C173 PolarHBondContact O-N 3.29Å; C173-I175 PolarHBondContact O-N 3.41Å; C173-I286 HydrophobicContact CB-CB 4.26Å; C173-I286 HydrophobicContact CB-CG2 4.14Å; C173-I286 WeakPolarHBondContact O-CA 3.47Å
174Q98.4Very high98.6Very high80 Ų8035.9 Ų35.937%0.37419%0.187SC..  trans-62.1127.3179.4-178.3178.8-3.900111.2K171 G176 Y285K171-Q174 WeakPolarHBondContact O-CB 3.38Å; K171-Q174 PolarHBondContact O-N 3.38Å; Q174-G176 PolarHBondContact NE2-O 2.83Å; Q174-Y285 WeakPolarHBondContact CA-O 3.41Å; Q174-Y285 HydrophobicContact CB-CD2 4.46Å; Q174-Y285 HydrophobicContact CB-CE1 4.03Å; Q174-Y285 HydrophobicContact CB-CE2 3.89Å; Q174-Y285 HydrophobicContact CG-CD2 3.81Å; Q174-Y285 HydrophobicContact CG-CE1 4.38Å; Q174-Y285 HydrophobicContact CG-CE2 3.36Å; Q174-Y285 HydrophobicContact CG-CG 4.48Å; Q174-Y285 VanDerWaalsContact OE1-CE2 3.24Å; Q174-Y285 PolarHBondContact OE1-OH 3.43Å
175I98.3Very high98.6Very high108 Ų10838 Ų3855%0.55420%0.197SC*.  trans-128.3-15.1168.965.4170.5000112.5I136 C173 Y285I136-I175 HydrophobicContact CD1-CD1 4.27Å; I136-I175 HydrophobicContact CD1-CG1 4.23Å; C173-I175 PolarHBondContact O-N 3.41Å; I175-Y285 PolarHBondContact N-O 2.79Å
176G98.3Very high98.6Very high14 Ų1441.9 Ų41.914%0.14422%0.218CC..SBendtrans-103.3-167.4-17700000114.6Q174 I284 Y285Q174-G176 PolarHBondContact NE2-O 2.83Å; G176-I284 WeakPolarHBondContact CA-O 3.35Å; G176-Y285 PolarHBondContact N-O 3.26Å
177P98.3Very high98.5Very high15 Ų1544.2 Ų44.210%0.09724%0.242CC..  trans-53.7163.6177.9-26.334.3000114.2V135 I148 V151 I284 Y285V135-P177 HydrophobicContact CG1-CG 3.85Å; I148-P177 HydrophobicContact CG2-CG 4.47Å; V151-P177 HydrophobicContact CG2-CB 4Å; V151-P177 HydrophobicContact CG2-CG 4.31Å; P177-I284 HydrophobicContact CG-CG2 4.07Å; P177-Y285 WeakPolarHBondContact O-CD2 3.29Å
178R98.7Very high98.5Very high131 Ų13148 Ų4849%0.49427%0.265SS..EExtended strand (participates in β ladder)trans-64.9139.9167.8-69.2178.7-65.2-85.3-0.8109.5T149 D150 V151T149-R178 PolarHBondContact O-N 3.36Å; D150-R178 CarbonylContact C-O 3.37Å; D150-R178 WeakPolarHBondContact CA-O 3.34Å; D150-R178 VanDerWaalsContact CG-NH2 3.29Å; D150-R178 IonicContact OD1-CZ 2.69Å; D150-R178 IonicContact OD1-NE 3.86Å; D150-R178 PolarHBondContact OD1-NE 2.87Å; D150-R178 IonicContact OD1-NH2 3.37Å; D150-R178 PolarHBondContact OD1-NH2 2.93Å; D150-R178 IonicContact OD2-CZ 2.85Å; D150-R178 IonicContact OD2-NE 3.58Å; D150-R178 IonicContact OD2-NH2 3.94Å; D150-R178 PolarHBondContact OD2-NH2 2.69Å; V151-R178 PolarHBondContact N-O 2.79Å
179V98.7Very high98.5Very high26 Ų2648.9 Ų48.916%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-109.4139.9173.6-68.30000110.7V151 T167 F181 Y285V151-V179 HydrophobicContact CB-CG1 4.23Å; V151-V179 CarbonylContact O-C 3.48Å; V151-V179 WeakPolarHBondContact O-CA 3.34Å; T167-V179 HydrophobicContact CG2-CG2 4.07Å; V179-F181 HydrophobicContact CB-CE2 4.11Å; V179-F181 HydrophobicContact CB-CZ 4.31Å; V179-F181 HydrophobicContact CG2-CE2 3.81Å; V179-F181 HydrophobicContact CG2-CZ 4.2Å; V179-Y285 HydrophobicContact CB-CD2 4.31Å; V179-Y285 HydrophobicContact CG1-CD2 3.87Å; V179-Y285 HydrophobicContact CG1-CG 4.15Å; V179-Y285 HydrophobicContact CG2-CD1 4.48Å; V179-Y285 HydrophobicContact CG2-CD2 3.59Å; V179-Y285 HydrophobicContact CG2-CE2 3.87Å; V179-Y285 HydrophobicContact CG2-CG 3.94Å
180H98.8Very high98.5Very high36 Ų3649.3 Ų49.317%0.16727%0.271CS..EExtended strand (participates in β ladder)trans-128.2152.9173.5-47.4-97.3000108.7D150 V151 I152 N153 T193D150-H180 IonicContact OD1-CD2 2.72Å; D150-H180 IonicContact OD1-CE1 3.74Å; D150-H180 IonicContact OD1-NE2 3.54Å; D150-H180 PolarHBondContact OD1-NE2 3.07Å; V151-H180 PolarHBondContact O-N 3.28Å; I152-H180 WeakPolarHBondContact CA-O 3.3Å; I152-H180 HydrophobicContact CG1-CB 4.13Å; N153-H180 PolarHBondContact N-O 3.34Å; H180-T193 HydrophobicContact CB-CG2 3.81Å
181F98.8Very high98.5Very high20 Ų2051.4 Ų51.49%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-127.6121.9-175.8-65.1-87.6000109N153 P163 L164 T167 V179 H189N153-F181 HydrophobicContact CB-CD1 3.76Å; N153-F181 HydrophobicContact CB-CE1 3.9Å; N153-F181 WeakPolarHBondContact O-CA 3.43Å; P163-F181 HydrophobicContact CB-CD1 4.42Å; P163-F181 HydrophobicContact CB-CE1 3.58Å; P163-F181 HydrophobicContact CB-CZ 4.33Å; L164-F181 HydrophobicContact CB-CD1 3.97Å; L164-F181 HydrophobicContact CB-CD2 4.13Å; L164-F181 HydrophobicContact CB-CE1 4.22Å; L164-F181 HydrophobicContact CB-CE2 4.34Å; L164-F181 HydrophobicContact CB-CG 3.94Å; L164-F181 HydrophobicContact CB-CZ 4.39Å; L164-F181 HydrophobicContact CD1-CB 4.34Å; L164-F181 HydrophobicContact CD1-CD2 3.46Å; L164-F181 VanDerWaalsContact CD1-CD2 3.46Å; L164-F181 HydrophobicContact CD1-CE2 3.92Å; L164-F181 HydrophobicContact CD1-CG 3.93Å; L164-F181 HydrophobicContact CG-CD2 4.37Å; L164-F181 HydrophobicContact CG-CG 4.45Å; T167-F181 HydrophobicContact CG2-CZ 4.03Å; T167-F181 WeakPolarHBondContact OG1-CE2 3.49Å; T167-F181 WeakPolarHBondContact OG1-CZ 3.47Å; V179-F181 HydrophobicContact CB-CE2 4.11Å; V179-F181 HydrophobicContact CB-CZ 4.31Å; V179-F181 HydrophobicContact CG2-CE2 3.81Å; V179-F181 HydrophobicContact CG2-CZ 4.2Å; F181-H189 PolarHBondContact O-CE1 3.37Å; F181-H189 PolarHBondContact O-NE2 3.19Å
182V98.9Very high98.5Very high0 Ų051.7 Ų51.70%029%0.291CS..EExtended strand (participates in β ladder)trans-119.4116.2177176.80000108.3I152 N153 I154 G155 L190 T193 N219I152-V182 HydrophobicContact CG2-CB 4.39Å; I152-V182 HydrophobicContact CG2-CG2 3.76Å; N153-V182 PolarHBondContact O-N 3.33Å; I154-V182 VanDerWaalsContact CA-O 3.31Å; I154-V182 WeakPolarHBondContact CA-O 3.22Å; I154-V182 HydrophobicContact CG1-CB 4.31Å; G155-V182 PolarHBondContact N-O 3.28Å; G155-V182 VanDerWaalsContact N-O 3.12Å; V182-L190 HydrophobicContact CG1-CB 3.97Å; V182-L190 HydrophobicContact CG1-CD1 4.15Å; V182-L190 HydrophobicContact CG2-CD1 4.25Å; V182-T193 HydrophobicContact CG2-CG2 3.93Å; V182-N219 HydrophobicContact CG1-CB 4.44Å
183S98.4Very high98.5Very high21 Ų2150 Ų5015%0.14728%0.276CS..  trans-126.8-55.8-174.5570000113.9G155 D160 H189G155-S183 WeakPolarHBondContact O-CA 3.46Å; G155-S183 WeakPolarHBondContact O-CB 3.28Å; D160-S183 VanDerWaalsContact CG-CB 3.42Å; D160-S183 VanDerWaalsContact OD2-CB 3.26Å; D160-S183 WeakPolarHBondContact OD2-CB 3.36Å; D160-S183 PolarHBondContact OD2-OG 3.12Å; S183-H189 PolarHBondContact N-CE1 3.37Å; S183-H189 VanDerWaalsContact N-CE1 3.27Å; S183-H189 PolarHBondContact N-ND1 3.04Å; S183-H189 VanDerWaalsContact N-ND1 3.18Å; S183-H189 PolarHBondContact OG-CE1 3.47Å
184N98.2Very high98.6Very high82 Ų8249.9 Ų49.944%0.43927%0.273SS..  trans-56143.7178.8-157-19.4000112.9D186 H189 N219N184-D186 VanDerWaalsContact C-N 3.31Å; N184-D186 HydrophobicContact CB-CB 4.45Å; N184-D186 PolarHBondContact OD1-N 3.11Å; N184-D186 VanDerWaalsContact OD1-N 3.08Å; N184-H189 HydrophobicContact CB-CB 4.23Å; N184-H189 PolarHBondContact N-ND1 2.83Å; N184-N219 PolarHBondContact O-ND2 2.93Å
185I98.2Very high98.6Very high78 Ų7853.1 Ų53.140%0.429%0.286SS..SBendtrans-80.7-13.4172.9-169.648.8000112.7G187 E215 T218I185-G187 PolarHBondContact O-N 3.38Å; I185-E215 HydrophobicContact CB-CB 4.02Å; I185-E215 HydrophobicContact CB-CG 3.74Å; I185-E215 HydrophobicContact CG1-CG 4.32Å; I185-E215 HydrophobicContact CG2-CG 4.08Å; I185-T218 HydrophobicContact CD1-CG2 3.79Å
186D98.4Very high98.5Very high83 Ų8356.6 Ų56.644%0.44429%0.292SS..SBendtrans-53.2114.2163.5-178.9-11.2000109.1N184 T188 H189N184-D186 VanDerWaalsContact C-N 3.31Å; N184-D186 HydrophobicContact CB-CB 4.45Å; N184-D186 PolarHBondContact OD1-N 3.11Å; N184-D186 VanDerWaalsContact OD1-N 3.08Å; D186-T188 PolarHBondContact O-N 2.95Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 3.04Å; D186-T188 PolarHBondContact OD1-OG1 3.34Å; D186-H189 WeakPolarHBondContact O-CB 3.41Å; D186-H189 PolarHBondContact O-N 3.44Å
187G98.3Very high98.6Very high48 Ų4856.8 Ų56.850%0.49529%0.291SS..Hα-helixtrans-56.9-20.1-175.900000113.5I185 H189 A191I185-G187 PolarHBondContact O-N 3.38Å; G187-H189 PolarHBondContact O-N 3.27Å; G187-A191 WeakPolarHBondContact O-CB 3.43Å; G187-A191 PolarHBondContact O-N 3.45Å
188T98.7Very high98.6Very high79 Ų7959.1 Ų59.149%0.48530%0.302SS..Hα-helixtrans-52.5-42.3171-56.10000111.8D186 A191 E192D186-T188 PolarHBondContact O-N 2.95Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 3.04Å; D186-T188 PolarHBondContact OD1-OG1 3.34Å; T188-A191 PolarHBondContact O-N 3.39Å; T188-E192 HydrophobicContact CG2-CG 4.03Å; T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 WeakPolarHBondContact O-CG 3.47Å; T188-E192 PolarHBondContact O-N 3Å
189H98.8Very high98.5Very high60 Ų6055.7 Ų55.728%0.27829%0.29SS..Hα-helixtrans-65.5-49.2-171.6-162.9-178.1000112.1F181 S183 N184 D186 G187 T193F181-H189 PolarHBondContact O-CE1 3.37Å; F181-H189 PolarHBondContact O-NE2 3.19Å; S183-H189 PolarHBondContact N-CE1 3.37Å; S183-H189 VanDerWaalsContact N-CE1 3.27Å; S183-H189 PolarHBondContact N-ND1 3.04Å; S183-H189 VanDerWaalsContact N-ND1 3.18Å; S183-H189 PolarHBondContact OG-CE1 3.47Å; N184-H189 HydrophobicContact CB-CB 4.23Å; N184-H189 PolarHBondContact N-ND1 2.83Å; D186-H189 WeakPolarHBondContact O-CB 3.41Å; D186-H189 PolarHBondContact O-N 3.44Å; G187-H189 PolarHBondContact O-N 3.27Å; H189-T193 WeakPolarHBondContact O-CB 3.1Å; H189-T193 PolarHBondContact O-N 2.98Å; H189-T193 PolarHBondContact O-OG1 3.1Å
190L98.8Very high98.5Very high10 Ų1055.9 Ų55.95%0.05229%0.289CS..Hα-helixtrans-68.2-45.8175.1-178.462.8000110.9V182 E192 T193 L194 N219 A223V182-L190 HydrophobicContact CG1-CB 3.97Å; V182-L190 HydrophobicContact CG1-CD1 4.15Å; V182-L190 HydrophobicContact CG2-CD1 4.25Å; L190-E192 PolarHBondContact O-N 3.16Å; L190-T193 PolarHBondContact O-N 2.91Å; L190-L194 HydrophobicContact CD1-CD1 3.83Å; L190-L194 HydrophobicContact CD1-CD2 4.22Å; L190-L194 HydrophobicContact CD1-CG 3.82Å; L190-L194 HydrophobicContact CD2-CD1 4.24Å; L190-L194 HydrophobicContact CG-CD1 3.69Å; L190-L194 HydrophobicContact CG-CG 4.09Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 3.4Å; L190-N219 WeakPolarHBondContact CD2-O 3.42Å; L190-A223 HydrophobicContact CD1-CB 4.26Å; L190-A223 HydrophobicContact CD2-CB 4.49Å
191A98.7Very high98.5Very high45 Ų4554.9 Ų54.937%0.37229%0.285SS..Hα-helixtrans-59.8-46-176.700000112.8G187 T188 T193 L194 K195G187-A191 WeakPolarHBondContact O-CB 3.43Å; G187-A191 PolarHBondContact O-N 3.45Å; T188-A191 PolarHBondContact O-N 3.39Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 PolarHBondContact O-N 3.46Å; A191-L194 PolarHBondContact O-N 2.93Å; A191-K195 WeakPolarHBondContact O-CG 3.42Å; A191-K195 PolarHBondContact O-N 3.49Å
192E98.7Very high98.5Very high77 Ų7753.9 Ų53.936%0.3628%0.281SS..Hα-helixtrans-68-32.1178-72.7-57.4135.700112.8T188 L190 K195T188-E192 HydrophobicContact CG2-CG 4.03Å; T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 WeakPolarHBondContact O-CG 3.47Å; T188-E192 PolarHBondContact O-N 3Å; L190-E192 PolarHBondContact O-N 3.16Å; E192-K195 IonicContact OE1-NZ 2.69Å; E192-K195 PolarHBondContact OE1-NZ 3.45Å; E192-K195 IonicContact OE2-NZ 3.14Å
193T98.8Very high98.5Very high14 Ų1453.9 Ų53.99%0.08628%0.281CS..Hα-helixtrans-68.2-47.7174.6-57.10000110.7I152 H180 V182 H189 L190 A191 K195 R196I152-T193 HydrophobicContact CD1-CG2 3.78Å; I152-T193 HydrophobicContact CG1-CG2 4.32Å; I152-T193 HydrophobicContact CG2-CG2 4.36Å; H180-T193 HydrophobicContact CB-CG2 3.81Å; V182-T193 HydrophobicContact CG2-CG2 3.93Å; H189-T193 WeakPolarHBondContact O-CB 3.1Å; H189-T193 PolarHBondContact O-N 2.98Å; H189-T193 PolarHBondContact O-OG1 3.1Å; L190-T193 PolarHBondContact O-N 2.91Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 PolarHBondContact O-N 3.46Å; T193-K195 PolarHBondContact O-N 3.21Å; T193-R196 PolarHBondContact O-N 2.94Å
194L98.7Very high98.5Very high20 Ų2052.9 Ų52.911%0.10527%0.274CS..Hα-helixtrans-64.2-24.8-178.7-68.2178.3000113.4I152 L190 A191 R196 V197 F204 W226I152-L194 HydrophobicContact CD1-CD2 4.31Å; L190-L194 HydrophobicContact CD1-CD1 3.83Å; L190-L194 HydrophobicContact CD1-CD2 4.22Å; L190-L194 HydrophobicContact CD1-CG 3.82Å; L190-L194 HydrophobicContact CD2-CD1 4.24Å; L190-L194 HydrophobicContact CG-CD1 3.69Å; L190-L194 HydrophobicContact CG-CG 4.09Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 3.4Å; A191-L194 PolarHBondContact O-N 2.93Å; L194-R196 PolarHBondContact O-N 3.06Å; L194-V197 HydrophobicContact CD2-CG2 4.31Å; L194-F204 HydrophobicContact CD2-CE1 4Å; L194-F204 HydrophobicContact CD2-CZ 3.91Å; L194-W226 HydrophobicContact CD1-CB 3.89Å; L194-W226 HydrophobicContact CD1-CD2 4.02Å; L194-W226 HydrophobicContact CD1-CG 3.67Å; L194-W226 HydrophobicContact CD2-CD2 3.79Å; L194-W226 HydrophobicContact CD2-CE3 3.76Å; L194-W226 HydrophobicContact CD2-CG 4.36Å; L194-W226 HydrophobicContact CD2-CH2 4.16Å; L194-W226 HydrophobicContact CD2-CZ2 4.2Å; L194-W226 HydrophobicContact CD2-CZ3 3.97Å; L194-W226 HydrophobicContact CG-CD2 4.34Å; L194-W226 HydrophobicContact CG-CG 4.46Å
195K98.4Very high98.5Very high148 Ų14849 Ų4964%0.64325%0.253SS*.THydrogen-bonded Turntrans-65.4-19.2172.7-74.2173.3-172.91770113.9A191 E192 T193A191-K195 WeakPolarHBondContact O-CG 3.42Å; A191-K195 PolarHBondContact O-N 3.49Å; E192-K195 IonicContact OE1-NZ 2.69Å; E192-K195 PolarHBondContact OE1-NZ 3.45Å; E192-K195 IonicContact OE2-NZ 3.14Å; T193-K195 PolarHBondContact O-N 3.21Å
196R97.8Very high98.6Very high181 Ų18145.3 Ų45.368%0.68323%0.234SC*.THydrogen-bonded Turntrans-103.1-5.6-171.7-59.4175-171.2-172.50.8113.7T193 L194T193-R196 PolarHBondContact O-N 2.94Å; L194-R196 PolarHBondContact O-N 3.06Å
197V98.6Very high98.5Very high19 Ų1941.3 Ų41.312%0.11521%0.213CC..SBendtrans-124.3160.8-171.6-59.30000111.9D150 I152 L194 T202 W226D150-V197 HydrophobicContact CB-CB 4.4Å; D150-V197 HydrophobicContact CB-CG1 3.93Å; I152-V197 HydrophobicContact CD1-CG1 4.23Å; I152-V197 HydrophobicContact CD1-CG2 3.95Å; L194-V197 HydrophobicContact CD2-CG2 4.31Å; V197-T202 WeakPolarHBondContact CB-OG1 3.41Å; V197-T202 HydrophobicContact CG2-CG2 4.33Å; V197-W226 HydrophobicContact CG2-CH2 4.01Å; V197-W226 HydrophobicContact CG2-CZ2 4.37Å
198N98.4Very high98.4Very high63 Ų6339.1 Ų39.134%0.33719%0.19SC..  trans-107.8129.2176-175.4-20.1000110.3E200 T201 T202N198-E200 PolarHBondContact ND2-OE1 3.29Å; N198-E200 PolarHBondContact O-N 2.9Å; N198-E200 VanDerWaalsContact O-N 3.11Å; N198-E200 WeakPolarHBondContact OD1-CB 3.45Å; N198-E200 PolarHBondContact OD1-N 3.26Å; N198-T201 PolarHBondContact O-N 2.89Å; N198-T202 WeakPolarHBondContact O-CB 3.39Å; N198-T202 PolarHBondContact O-N 3.38Å; N198-T202 VanDerWaalsContact O-N 3.16Å; N198-T202 PolarHBondContact O-OG1 3.45Å
199Y98.1Very high98Very high60 Ų6037.6 Ų37.624%0.23518%0.177CC..G310 helixtrans-55.6-30.1179.281-85000113T201 W226 F227 A231 H240Y199-T201 VanDerWaalsContact C-N 3.32Å; Y199-T201 PolarHBondContact O-N 3.04Å; Y199-W226 VanDerWaalsContact CA-CH2 3.43Å; Y199-F227 HydrophobicContact CD2-CE2 4.35Å; Y199-A231 HydrophobicContact CD2-CB 4.38Å; Y199-A231 HydrophobicContact CE2-CB 4.42Å; Y199-H240 PolarHBondContact O-CE1 2.69Å; Y199-H240 PolarHBondContact O-ND1 2.77Å
200E98.3Very high97.5Very high30 Ų3037.9 Ų37.914%0.1418%0.182CC..G310 helixtrans-69.5-25.8179.7-63.1-176.4-93.600113.7T144 K146 N198T144-E200 VanDerWaalsContact CB-OE2 3.22Å; T144-E200 WeakPolarHBondContact CB-OE2 3.18Å; T144-E200 HydrophobicContact CG2-CG 3.86Å; T144-E200 WeakPolarHBondContact CG2-OE2 3.12Å; T144-E200 PolarHBondContact OG1-OE2 2.93Å; K146-E200 HydrophobicContact CD-CB 4.3Å; K146-E200 VanDerWaalsContact CE-OE2 3.3Å; K146-E200 WeakPolarHBondContact CE-OE2 3.25Å; K146-E200 IonicContact NZ-OE1 3.45Å; K146-E200 PolarHBondContact NZ-OE1 2.79Å; K146-E200 IonicContact NZ-OE2 3.26Å; K146-E200 PolarHBondContact NZ-OE2 2.88Å; N198-E200 PolarHBondContact ND2-OE1 3.29Å; N198-E200 PolarHBondContact O-N 2.9Å; N198-E200 VanDerWaalsContact O-N 3.11Å; N198-E200 WeakPolarHBondContact OD1-CB 3.45Å; N198-E200 PolarHBondContact OD1-N 3.26Å
201T98.6Very high97.3Very high14 Ų1437.7 Ų37.79%0.08618%0.181CC..G310 helixtrans-128.217.4-170.461.70000113.2K146 P147 I148 T149 D150 N198 Y199K146-T201 HydrophobicContact CB-CG2 3.68Å; K146-T201 HydrophobicContact CD-CG2 4.04Å; P147-T201 WeakPolarHBondContact O-CG2 3.48Å; I148-T201 WeakPolarHBondContact CA-O 3.4Å; T149-T201 HydrophobicContact CG2-CG2 4.46Å; T149-T201 PolarHBondContact N-O 2.8Å; T149-T201 VanDerWaalsContact OG1-CB 3.32Å; T149-T201 WeakPolarHBondContact OG1-CB 3.48Å; T149-T201 PolarHBondContact OG1-OG1 3.14Å; D150-T201 PolarHBondContact N-O 3.48Å; N198-T201 PolarHBondContact O-N 2.89Å; Y199-T201 VanDerWaalsContact C-N 3.32Å; Y199-T201 PolarHBondContact O-N 3.04Å
202T98.8Very high97.1Very high0 Ų039.4 Ų39.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108.1127-179.1-58.80000111.7D150 I152 V197 N198 F204 H240D150-T202 HydrophobicContact CB-CG2 4.46Å; D150-T202 CarbonylContact O-C 3.42Å; D150-T202 WeakPolarHBondContact O-CA 3.36Å; I152-T202 HydrophobicContact CD1-CG2 3.66Å; I152-T202 HydrophobicContact CG1-CG2 3.82Å; V197-T202 WeakPolarHBondContact CB-OG1 3.41Å; V197-T202 HydrophobicContact CG2-CG2 4.33Å; N198-T202 WeakPolarHBondContact O-CB 3.39Å; N198-T202 PolarHBondContact O-N 3.38Å; N198-T202 VanDerWaalsContact O-N 3.16Å; N198-T202 PolarHBondContact O-OG1 3.45Å; T202-F204 HydrophobicContact CG2-CD2 4.26Å; T202-F204 HydrophobicContact CG2-CE1 4.24Å; T202-F204 HydrophobicContact CG2-CE2 3.76Å; T202-F204 HydrophobicContact CG2-CZ 3.75Å; T202-H240 PolarHBondContact O-ND1 2.83Å
203L98.7Very high96.8Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-102.7131.2170.3177.869.1000110.1F131 V135 I148 D150 V151 I152 V242 I284F131-L203 HydrophobicContact CE1-CD2 3.83Å; F131-L203 HydrophobicContact CZ-CD1 4.41Å; F131-L203 HydrophobicContact CZ-CD2 3.61Å; V135-L203 HydrophobicContact CG2-CD2 4.25Å; I148-L203 HydrophobicContact CD1-CB 4.3Å; I148-L203 HydrophobicContact CG1-CB 4.32Å; I148-L203 HydrophobicContact CG2-CB 3.74Å; D150-L203 PolarHBondContact O-N 3.14Å; V151-L203 CarbonylContact C-O 3.57Å; V151-L203 VanDerWaalsContact CA-O 3.25Å; V151-L203 WeakPolarHBondContact CA-O 3.41Å; V151-L203 HydrophobicContact CG2-CB 4.31Å; V151-L203 HydrophobicContact CG2-CD2 4.36Å; I152-L203 PolarHBondContact N-O 2.6Å; L203-V242 HydrophobicContact CD1-CG1 4.12Å; L203-I284 HydrophobicContact CD2-CD1 4.31Å
204F98.8Very high96.6Very high0 Ų041.1 Ų41.10%020%0.197CC..EExtended strand (participates in β ladder)trans-102.3130.2175.4-63.5-88.4000110.6I152 I154 L194 T202 I206 A223 W226 H240 F241 V242I152-F204 HydrophobicContact CB-CD1 3.82Å; I152-F204 HydrophobicContact CB-CE1 4.07Å; I152-F204 HydrophobicContact CD1-CD1 4.24Å; I152-F204 HydrophobicContact CD1-CE1 3.58Å; I152-F204 HydrophobicContact CD1-CZ 4.12Å; I152-F204 HydrophobicContact CG1-CD1 4.45Å; I152-F204 HydrophobicContact CG1-CE1 4.26Å; I152-F204 HydrophobicContact CG2-CD1 4.21Å; I152-F204 HydrophobicContact CG2-CE1 4.37Å; I152-F204 WeakPolarHBondContact O-CA 3.26Å; I154-F204 HydrophobicContact CD1-CD1 3.93Å; L194-F204 HydrophobicContact CD2-CE1 4Å; L194-F204 HydrophobicContact CD2-CZ 3.91Å; T202-F204 HydrophobicContact CG2-CD2 4.26Å; T202-F204 HydrophobicContact CG2-CE1 4.24Å; T202-F204 HydrophobicContact CG2-CE2 3.76Å; T202-F204 HydrophobicContact CG2-CZ 3.75Å; F204-I206 HydrophobicContact CB-CD1 4.31Å; F204-A223 HydrophobicContact CD1-CB 3.97Å; F204-A223 HydrophobicContact CE1-CB 3.74Å; F204-A223 HydrophobicContact CZ-CB 4.28Å; F204-W226 HydrophobicContact CE2-CE3 4.38Å; F204-W226 AromaticContact CE2-CZ3 3.94Å; F204-W226 HydrophobicContact CE2-CZ3 3.94Å; F204-W226 AromaticContact CZ-CE3 3.93Å; F204-W226 HydrophobicContact CZ-CE3 3.93Å; F204-W226 AromaticContact CZ-CZ3 3.61Å; F204-W226 HydrophobicContact CZ-CZ3 3.61Å; F204-H240 WeakPolarHBondContact CB-O 3.4Å; F204-H240 PolarHBondContact N-O 3.31Å; F204-F241 HydrophobicContact CB-CD1 3.56Å; F204-F241 HydrophobicContact CB-CE1 3.58Å; F204-F241 HydrophobicContact CB-CG 4.15Å; F204-F241 HydrophobicContact CB-CZ 4.18Å; F204-F241 HydrophobicContact CD1-CE1 4.39Å; F204-F241 HydrophobicContact CD2-CD1 4.35Å; F204-F241 HydrophobicContact CD2-CD2 4.39Å; F204-F241 AromaticContact CD2-CE1 3.77Å; F204-F241 HydrophobicContact CD2-CE1 3.77Å; F204-F241 AromaticContact CD2-CE2 3.81Å; F204-F241 HydrophobicContact CD2-CE2 3.81Å; F204-F241 AromaticContact CD2-CZ 3.45Å; F204-F241 HydrophobicContact CD2-CZ 3.45Å; F204-F241 VanDerWaalsContact CD2-CZ 3.45Å; F204-F241 HydrophobicContact CE2-CE2 4.36Å; F204-F241 AromaticContact CE2-CZ 3.96Å; F204-F241 HydrophobicContact CE2-CZ 3.96Å; F204-F241 HydrophobicContact CG-CD1 4.15Å; F204-F241 AromaticContact CG-CE1 3.66Å; F204-F241 HydrophobicContact CG-CE1 3.66Å; F204-F241 AromaticContact CG-CZ 3.85Å; F204-F241 HydrophobicContact CG-CZ 3.85Å; F204-F241 WeakPolarHBondContact O-CA 3.13Å; F204-V242 PolarHBondContact O-N 3.33Å
205I98.8Very high96.6Very high0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-109.3111.8174.4-60.9178.9000107.6V151 I152 I154 A207 V242 L244 L280 I284V151-I205 HydrophobicContact CG1-CD1 3.43Å; V151-I205 VanDerWaalsContact CG1-CD1 3.43Å; V151-I205 HydrophobicContact CG1-CG1 3.91Å; I152-I205 PolarHBondContact O-N 2.9Å; I154-I205 PolarHBondContact N-O 2.87Å; I205-A207 PolarHBondContact O-N 3.03Å; I205-V242 HydrophobicContact CB-CG2 4.14Å; I205-V242 HydrophobicContact CG1-CG2 3.65Å; I205-V242 HydrophobicContact CG2-CG2 4.27Å; I205-L244 HydrophobicContact CG2-CD1 3.43Å; I205-L244 VanDerWaalsContact CG2-CD1 3.43Å; I205-L244 HydrophobicContact CG2-CD2 3.96Å; I205-L244 HydrophobicContact CG2-CG 3.56Å; I205-L280 HydrophobicContact CD1-CD2 4.18Å; I205-L280 HydrophobicContact CD1-CG 4.22Å; I205-I284 HydrophobicContact CD1-CD1 3.86Å
206I98.6Very high96.5Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-91.9102.2178.9-47.4-50.3000108.8I154 F204 F211 T216 A220 F241 V242 L244 I256I154-I206 HydrophobicContact CB-CD1 4.03Å; I154-I206 HydrophobicContact CD1-CD1 3.93Å; I154-I206 HydrophobicContact CG1-CD1 4.22Å; F204-I206 HydrophobicContact CB-CD1 4.31Å; I206-F211 HydrophobicContact CB-CE2 3.87Å; I206-F211 HydrophobicContact CB-CZ 4.06Å; I206-F211 HydrophobicContact CG2-CD2 4.42Å; I206-F211 HydrophobicContact CG2-CE2 3.5Å; I206-F211 VanDerWaalsContact CG2-CE2 3.5Å; I206-F211 HydrophobicContact CG2-CZ 3.7Å; I206-T216 HydrophobicContact CG2-CG2 4.16Å; I206-A220 HydrophobicContact CD1-CB 3.63Å; I206-A220 HydrophobicContact CG1-CB 4.12Å; I206-A220 HydrophobicContact CG2-CB 3.92Å; I206-F241 HydrophobicContact CD1-CD1 4.09Å; I206-F241 HydrophobicContact CD1-CE1 4.43Å; I206-F241 HydrophobicContact CG1-CD1 4.24Å; I206-V242 PolarHBondContact N-O 2.86Å; I206-L244 PolarHBondContact O-N 2.94Å; I206-I256 HydrophobicContact CG1-CD1 4.21Å
207A98.2Very high96.5Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-99.496.7-173.500000110.9I154 G155 S159 I205 L244 I278I154-A207 PolarHBondContact O-N 3.44Å; G155-A207 WeakPolarHBondContact CA-O 3Å; S159-A207 VanDerWaalsContact CB-O 3.23Å; S159-A207 WeakPolarHBondContact CB-O 3.23Å; S159-A207 PolarHBondContact OG-O 3.43Å; I205-A207 PolarHBondContact O-N 3.03Å; A207-L244 HydrophobicContact CB-CB 4.47Å; A207-L244 HydrophobicContact CB-CD1 3.89Å; A207-L244 HydrophobicContact CB-CG 4.4Å; A207-I278 HydrophobicContact CB-CD1 4.1Å
208S96Very high96.5Very high1 Ų130 Ų301%0.00716%0.158CC..  trans-153.8118.8178178.50000111.1T210 F211 T213 L244 S245S208-T210 VanDerWaalsContact C-N 3.35Å; S208-T210 PolarHBondContact O-N 3.43Å; S208-F211 PolarHBondContact O-N 3.34Å; S208-F211 WeakPolarHBondContact OG-CA 3.47Å; S208-F211 PolarHBondContact OG-N 3.31Å; S208-F211 VanDerWaalsContact OG-N 3.08Å; S208-T213 PolarHBondContact OG-OG1 2.76Å; S208-L244 CarbonylContact C-O 3.55Å; S208-L244 PolarHBondContact N-O 3.08Å; S208-L244 VanDerWaalsContact O-O 3.13Å; S208-S245 WeakPolarHBondContact O-CB 3.49Å; S208-S245 PolarHBondContact O-OG 3.23Å
209K88.6Confident96.5Very high48 Ų4827.2 Ų27.221%0.20914%0.143CC..SBendtrans-52.2-51.7177.3-174.9173.5-173168.10112.4T246 F264 D266 V268K209-T246 HydrophobicContact CG-CG2 4.17Å; K209-T246 PolarHBondContact O-N 3.37Å; K209-T246 PolarHBondContact O-OG1 3.12Å; K209-F264 HydrophobicContact CB-CE2 3.66Å; K209-F264 HydrophobicContact CB-CZ 3.51Å; K209-F264 HydrophobicContact CD-CE2 3.92Å; K209-F264 HydrophobicContact CG-CE2 3.54Å; K209-F264 HydrophobicContact CG-CZ 3.86Å; K209-D266 PolarHBondContact NZ-O 3.05Å; K209-V268 PolarHBondContact NZ-O 3.38Å
210T88.4Confident96.6Very high65 Ų6524.4 Ų24.440%0.39913%0.132SC..SBendtrans-86.9-15.1-176.161.10000113S208 T212 N247S208-T210 VanDerWaalsContact C-N 3.35Å; S208-T210 PolarHBondContact O-N 3.43Å; T210-T212 WeakPolarHBondContact CB-OG1 3.43Å; T210-T212 PolarHBondContact O-N 2.72Å; T210-T212 PolarHBondContact OG1-N 3.01Å; T210-T212 PolarHBondContact OG1-OG1 3.24Å; T210-N247 PolarHBondContact O-ND2 2.62Å
211F94.7Very high96.6Very high7 Ų727.8 Ų27.83%0.03115%0.148CC..SBendtrans52.629.3-168.8-137.9-103.9000113.9I206 S208 I217 A243 N247 K250 V251 F254 I256I206-F211 HydrophobicContact CB-CE2 3.87Å; I206-F211 HydrophobicContact CB-CZ 4.06Å; I206-F211 HydrophobicContact CG2-CD2 4.42Å; I206-F211 HydrophobicContact CG2-CE2 3.5Å; I206-F211 VanDerWaalsContact CG2-CE2 3.5Å; I206-F211 HydrophobicContact CG2-CZ 3.7Å; S208-F211 PolarHBondContact O-N 3.34Å; S208-F211 WeakPolarHBondContact OG-CA 3.47Å; S208-F211 PolarHBondContact OG-N 3.31Å; S208-F211 VanDerWaalsContact OG-N 3.08Å; F211-I217 HydrophobicContact CD1-CD1 3.9Å; F211-I217 HydrophobicContact CE1-CD1 4.1Å; F211-I217 HydrophobicContact CG-CD1 4.17Å; F211-I217 WeakPolarHBondContact O-CD1 3.1Å; F211-A243 HydrophobicContact CE2-CB 3.78Å; F211-A243 HydrophobicContact CZ-CB 4.21Å; F211-N247 HydrophobicContact CB-CB 4.13Å; F211-K250 HydrophobicContact CB-CB 4.01Å; F211-K250 HydrophobicContact CD1-CB 3.95Å; F211-K250 HydrophobicContact CG-CB 4.42Å; F211-V251 HydrophobicContact CD1-CG2 4.04Å; F211-V251 HydrophobicContact CD2-CG2 3.76Å; F211-V251 HydrophobicContact CE1-CG2 4.09Å; F211-V251 HydrophobicContact CE2-CG2 3.82Å; F211-V251 HydrophobicContact CG-CG2 3.86Å; F211-V251 HydrophobicContact CZ-CG2 3.98Å; F211-F254 HydrophobicContact CE1-CB 3.77Å; F211-F254 HydrophobicContact CE1-CD2 4.48Å; F211-F254 HydrophobicContact CE1-CG 4.11Å; F211-F254 HydrophobicContact CZ-CB 4.47Å; F211-F254 HydrophobicContact CZ-CG 4.49Å; F211-I256 HydrophobicContact CZ-CD1 4.08Å
212T94.5Very high96.6Very high81 Ų8129.3 Ų29.350%0.49716%0.158SC..  trans-136.31.3-17851.60000112.9T210 Q214T210-T212 WeakPolarHBondContact CB-OG1 3.43Å; T210-T212 PolarHBondContact O-N 2.72Å; T210-T212 PolarHBondContact OG1-N 3.01Å; T210-T212 PolarHBondContact OG1-OG1 3.24Å; T212-Q214 PolarHBondContact O-N 3.37Å; T212-Q214 VanDerWaalsContact O-N 3.16Å
213T93.3Very high96.6Very high39 Ų3929.3 Ų29.324%0.23916%0.158CC..  trans-58.7118.3175.6-51.80000109.7I156 S208 E215 T216 I217I156-T213 HydrophobicContact CG2-CG2 3.79Å; S208-T213 PolarHBondContact OG-OG1 2.76Å; T213-E215 VanDerWaalsContact C-N 3.32Å; T213-E215 WeakPolarHBondContact CG2-OE2 3.32Å; T213-E215 PolarHBondContact O-N 2.9Å; T213-T216 PolarHBondContact O-N 3.24Å; T213-I217 WeakPolarHBondContact O-CG1 3.12Å; T213-I217 PolarHBondContact O-N 2.98Å
214Q95.2Very high96.5Very high88 Ų8831.4 Ų31.441%0.41117%0.168SC..Hα-helixtrans-55.3-47.7-169.9-179.6173.325.800112.2T212 T218T212-Q214 PolarHBondContact O-N 3.37Å; T212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-T218 VanDerWaalsContact O-CB 3.29Å; Q214-T218 WeakPolarHBondContact O-CB 3.34Å; Q214-T218 PolarHBondContact O-N 3.21Å; Q214-T218 PolarHBondContact O-OG1 3.5Å
215E97.2Very high96.5Very high54 Ų5436.5 Ų36.525%0.25219%0.191SC..Hα-helixtrans-62.1-50.4-178.4-59.388.816000110.9I156 I185 T213 N219I156-E215 HydrophobicContact CD1-CB 4.16Å; I156-E215 HydrophobicContact CD1-CG 4.14Å; I185-E215 HydrophobicContact CB-CB 4.02Å; I185-E215 HydrophobicContact CB-CG 3.74Å; I185-E215 HydrophobicContact CG1-CG 4.32Å; I185-E215 HydrophobicContact CG2-CG 4.08Å; T213-E215 VanDerWaalsContact C-N 3.32Å; T213-E215 WeakPolarHBondContact CG2-OE2 3.32Å; T213-E215 PolarHBondContact O-N 2.9Å; E215-N219 WeakPolarHBondContact O-CB 3.44Å; E215-N219 PolarHBondContact O-N 3.27Å; E215-N219 PolarHBondContact O-ND2 3.43Å
216T97.7Very high96.5Very high1 Ų139.5 Ų39.51%0.00620%0.203CC..Hα-helixtrans-63.3-45.9-179.5-52.70000112.2I154 I206 T213 N219 A220I154-T216 HydrophobicContact CG2-CG2 4.22Å; I154-T216 WeakPolarHBondContact O-CG2 3.2Å; I206-T216 HydrophobicContact CG2-CG2 4.16Å; T213-T216 PolarHBondContact O-N 3.24Å; T216-N219 PolarHBondContact O-N 3.44Å; T216-A220 VanDerWaalsContact O-CB 3.3Å; T216-A220 WeakPolarHBondContact O-CB 3.34Å; T216-A220 PolarHBondContact O-N 2.9Å
217I97.9Very high96.5Very high26 Ų2639.5 Ų39.513%0.13320%0.203CC..Hα-helixtrans-70.9-39.4-177.6-61.6-56000111.2F211 T213 N219 A220 E221F211-I217 HydrophobicContact CD1-CD1 3.9Å; F211-I217 HydrophobicContact CE1-CD1 4.1Å; F211-I217 HydrophobicContact CG-CD1 4.17Å; F211-I217 WeakPolarHBondContact O-CD1 3.1Å; T213-I217 WeakPolarHBondContact O-CG1 3.12Å; T213-I217 PolarHBondContact O-N 2.98Å; I217-N219 VanDerWaalsContact C-N 3.34Å; I217-N219 PolarHBondContact O-N 2.85Å; I217-A220 PolarHBondContact O-N 2.62Å; I217-E221 HydrophobicContact CG2-CG 4.24Å; I217-E221 WeakPolarHBondContact O-CB 3.2Å; I217-E221 WeakPolarHBondContact O-CG 3.4Å; I217-E221 PolarHBondContact O-N 2.94Å
218T98.4Very high96.4Very high53 Ų5341.8 Ų41.833%0.32522%0.215SC..Hα-helixtrans-62.5-42.6175.6-53.60000111.2I185 Q214 S222I185-T218 HydrophobicContact CD1-CG2 3.79Å; Q214-T218 VanDerWaalsContact O-CB 3.29Å; Q214-T218 WeakPolarHBondContact O-CB 3.34Å; Q214-T218 PolarHBondContact O-N 3.21Å; Q214-T218 PolarHBondContact O-OG1 3.5Å; T218-S222 WeakPolarHBondContact O-CB 3.31Å; T218-S222 PolarHBondContact O-N 2.89Å; T218-S222 PolarHBondContact O-OG 2.92Å
219N98.8Very high96.5Very high5 Ų548.2 Ų48.23%0.02724%0.243CC..Hα-helixtrans-63.8-42.4173.5-82.7-36000111.9I154 V182 N184 L190 E215 T216 I217 S222 A223I154-N219 HydrophobicContact CG2-CB 3.55Å; V182-N219 HydrophobicContact CG1-CB 4.44Å; N184-N219 PolarHBondContact O-ND2 2.93Å; L190-N219 WeakPolarHBondContact CD2-O 3.42Å; E215-N219 WeakPolarHBondContact O-CB 3.44Å; E215-N219 PolarHBondContact O-N 3.27Å; E215-N219 PolarHBondContact O-ND2 3.43Å; T216-N219 PolarHBondContact O-N 3.44Å; I217-N219 VanDerWaalsContact C-N 3.34Å; I217-N219 PolarHBondContact O-N 2.85Å; N219-S222 PolarHBondContact O-N 2.95Å; N219-A223 WeakPolarHBondContact O-CB 3.45Å; N219-A223 PolarHBondContact O-N 3.18Å
220A98.6Very high96.9Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-63.1-44.4177.900000112.1I206 T216 I217 A223 K224 F254I206-A220 HydrophobicContact CD1-CB 3.63Å; I206-A220 HydrophobicContact CG1-CB 4.12Å; I206-A220 HydrophobicContact CG2-CB 3.92Å; T216-A220 VanDerWaalsContact O-CB 3.3Å; T216-A220 WeakPolarHBondContact O-CB 3.34Å; T216-A220 PolarHBondContact O-N 2.9Å; I217-A220 PolarHBondContact O-N 2.62Å; A220-A223 PolarHBondContact O-N 3.46Å; A220-K224 WeakPolarHBondContact O-CB 3.24Å; A220-K224 PolarHBondContact O-N 3.4Å; A220-F254 HydrophobicContact CB-CE2 3.77Å; A220-F254 HydrophobicContact CB-CZ 3.76Å; A220-F254 WeakPolarHBondContact O-CZ 3.47Å
221E98.3Very high97.3Very high102 Ų10246.4 Ų46.448%0.47724%0.24SC..Hα-helixtrans-63.3-42.3176.1-72.9177.8164.400111.6I217 K224 E225 F254I217-E221 HydrophobicContact CG2-CG 4.24Å; I217-E221 WeakPolarHBondContact O-CB 3.2Å; I217-E221 WeakPolarHBondContact O-CG 3.4Å; I217-E221 PolarHBondContact O-N 2.94Å; E221-K224 PolarHBondContact O-N 2.79Å; E221-E225 WeakPolarHBondContact O-CB 3.38Å; E221-E225 PolarHBondContact O-N 2.81Å; E221-F254 HydrophobicContact CG-CD2 4.46Å; E221-F254 HydrophobicContact CG-CE2 3.91Å
222S98.7Very high97.3Very high45 Ų4554.5 Ų54.532%0.31528%0.275SS..Hα-helixtrans-64.3-40.4176.1-59.60000112T218 N219 E225 W226T218-S222 WeakPolarHBondContact O-CB 3.31Å; T218-S222 PolarHBondContact O-N 2.89Å; T218-S222 PolarHBondContact O-OG 2.92Å; N219-S222 PolarHBondContact O-N 2.95Å; S222-E225 PolarHBondContact O-N 3.06Å; S222-W226 WeakPolarHBondContact O-CB 3.26Å; S222-W226 PolarHBondContact O-N 2.87Å
223A98.7Very high97.2Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-65.5-40.5173.900000111.8I154 L190 F204 N219 A220 W226 F227 F241I154-A223 HydrophobicContact CD1-CB 3.76Å; L190-A223 HydrophobicContact CD1-CB 4.26Å; L190-A223 HydrophobicContact CD2-CB 4.49Å; F204-A223 HydrophobicContact CD1-CB 3.97Å; F204-A223 HydrophobicContact CE1-CB 3.74Å; F204-A223 HydrophobicContact CZ-CB 4.28Å; N219-A223 WeakPolarHBondContact O-CB 3.45Å; N219-A223 PolarHBondContact O-N 3.18Å; A220-A223 PolarHBondContact O-N 3.46Å; A223-W226 PolarHBondContact O-N 3.13Å; A223-F227 WeakPolarHBondContact O-CB 3.42Å; A223-F227 PolarHBondContact O-N 3.44Å; A223-F241 HydrophobicContact CB-CE1 4.32Å; A223-F241 HydrophobicContact CB-CZ 4.5Å
224K98.2Very high97.2Very high44 Ų4456.4 Ų56.419%0.19129%0.286CS..Hα-helixtrans-64.2-42.7174.8-174.8173.771-169.60111.6A220 E221 F227 L228 V237 F241 F254A220-K224 WeakPolarHBondContact O-CB 3.24Å; A220-K224 PolarHBondContact O-N 3.4Å; E221-K224 PolarHBondContact O-N 2.79Å; K224-F227 PolarHBondContact O-N 3.02Å; K224-L228 HydrophobicContact CG-CD1 3.9Å; K224-L228 HydrophobicContact CG-CG 4.36Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 3.47Å; K224-V237 HydrophobicContact CD-CG1 4.38Å; K224-V237 HydrophobicContact CD-CG2 4.29Å; K224-V237 HydrophobicContact CG-CG2 4.22Å; K224-F241 HydrophobicContact CB-CE1 4.26Å; K224-F241 HydrophobicContact CB-CZ 4.06Å; K224-F254 HydrophobicContact CB-CZ 3.99Å; K224-F254 HydrophobicContact CD-CD1 4.42Å; K224-F254 HydrophobicContact CD-CE1 3.88Å; K224-F254 HydrophobicContact CD-CE2 4.39Å; K224-F254 HydrophobicContact CD-CZ 3.86Å; K224-F254 PolarHBondContact NZ-O 2.79Å
225E98.1Very high97Very high107 Ų10755.3 Ų55.350%0.529%0.292SS..Hα-helixtrans-61.1-47.7175.2-170.8-16715600111E221 S222 F227 L228 K229E221-E225 WeakPolarHBondContact O-CB 3.38Å; E221-E225 PolarHBondContact O-N 2.81Å; S222-E225 PolarHBondContact O-N 3.06Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3Å; E225-L228 PolarHBondContact O-N 3.23Å; E225-K229 WeakPolarHBondContact O-CG 3.32Å; E225-K229 PolarHBondContact O-N 2.94Å; E225-K229 WeakPolarHBondContact OE1-CE 3.48Å; E225-K229 IonicContact OE1-NZ 3.78Å; E225-K229 PolarHBondContact OE1-NZ 3.06Å
226W98.5Very high96.8Very high63 Ų6354.6 Ų54.624%0.23929%0.29CS..Hα-helixtrans-57.2-45.5175.2170.588.9000112.1L194 V197 Y199 F204 S222 A223L194-W226 HydrophobicContact CD1-CB 3.89Å; L194-W226 HydrophobicContact CD1-CD2 4.02Å; L194-W226 HydrophobicContact CD1-CG 3.67Å; L194-W226 HydrophobicContact CD2-CD2 3.79Å; L194-W226 HydrophobicContact CD2-CE3 3.76Å; L194-W226 HydrophobicContact CD2-CG 4.36Å; L194-W226 HydrophobicContact CD2-CH2 4.16Å; L194-W226 HydrophobicContact CD2-CZ2 4.2Å; L194-W226 HydrophobicContact CD2-CZ3 3.97Å; L194-W226 HydrophobicContact CG-CD2 4.34Å; L194-W226 HydrophobicContact CG-CG 4.46Å; V197-W226 HydrophobicContact CG2-CH2 4.01Å; V197-W226 HydrophobicContact CG2-CZ2 4.37Å; Y199-W226 VanDerWaalsContact CA-CH2 3.43Å; F204-W226 HydrophobicContact CE2-CE3 4.38Å; F204-W226 AromaticContact CE2-CZ3 3.94Å; F204-W226 HydrophobicContact CE2-CZ3 3.94Å; F204-W226 AromaticContact CZ-CE3 3.93Å; F204-W226 HydrophobicContact CZ-CE3 3.93Å; F204-W226 AromaticContact CZ-CZ3 3.61Å; F204-W226 HydrophobicContact CZ-CZ3 3.61Å; S222-W226 WeakPolarHBondContact O-CB 3.26Å; S222-W226 PolarHBondContact O-N 2.87Å; A223-W226 PolarHBondContact O-N 3.13Å
227F98.3Very high96.6Very high0 Ų054.8 Ų54.80%029%0.291CS..Hα-helixtrans-62.8-48.2178.5173.4-100.7000111.5C143 Y199 A223 K224 E225 K229 S230 A231 M236 V237 H240 F241C143-F227 HydrophobicContact CB-CZ 4.41Å; Y199-F227 HydrophobicContact CD2-CE2 4.35Å; A223-F227 WeakPolarHBondContact O-CB 3.42Å; A223-F227 PolarHBondContact O-N 3.44Å; K224-F227 PolarHBondContact O-N 3.02Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3Å; F227-K229 VanDerWaalsContact C-N 3.34Å; F227-K229 PolarHBondContact O-N 3Å; F227-S230 PolarHBondContact O-N 3.34Å; F227-S230 VanDerWaalsContact O-N 3.14Å; F227-A231 HydrophobicContact CD1-CB 4.17Å; F227-A231 HydrophobicContact CD2-CB 4.44Å; F227-A231 HydrophobicContact CE1-CB 3.65Å; F227-A231 HydrophobicContact CE2-CB 3.94Å; F227-A231 HydrophobicContact CZ-CB 3.51Å; F227-A231 WeakPolarHBondContact O-CB 3.3Å; F227-A231 PolarHBondContact O-N 2.89Å; F227-M236 HydrophobicContact CE1-CB 3.87Å; F227-M236 HydrophobicContact CZ-CB 3.78Å; F227-V237 HydrophobicContact CD1-CG2 4.48Å; F227-V237 HydrophobicContact CE1-CG2 4.49Å; F227-H240 HydrophobicContact CD2-CB 4.27Å; F227-H240 HydrophobicContact CE1-CB 4.41Å; F227-H240 HydrophobicContact CE2-CB 3.84Å; F227-H240 AromaticContact CE2-CD2 3.34Å; F227-H240 WeakPolarHBondContact CE2-CD2 3.49Å; F227-H240 AromaticContact CE2-CE1 3.78Å; F227-H240 AromaticContact CE2-CG 3.31Å; F227-H240 AromaticContact CE2-ND1 3.61Å; F227-H240 AromaticContact CE2-NE2 3.63Å; F227-H240 HydrophobicContact CZ-CB 3.92Å; F227-H240 AromaticContact CZ-CD2 3.22Å; F227-H240 WeakPolarHBondContact CZ-CD2 3.18Å; F227-H240 AromaticContact CZ-CG 3.55Å; F227-H240 AromaticContact CZ-NE2 3.82Å; F227-F241 HydrophobicContact CB-CE2 4.07Å; F227-F241 HydrophobicContact CB-CZ 4.22Å; F227-F241 AromaticContact CD1-CE2 3.97Å; F227-F241 HydrophobicContact CD1-CE2 3.97Å; F227-F241 AromaticContact CG-CE2 3.97Å; F227-F241 HydrophobicContact CG-CE2 3.97Å
228L97.5Very high96.3Very high48 Ų4855 Ų5525%0.25130%0.297SS..Hα-helixtrans-70-26.6-176.9-71.6176.1000113.5K224 E225 S230 K232 D233 V237K224-L228 HydrophobicContact CG-CD1 3.9Å; K224-L228 HydrophobicContact CG-CG 4.36Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 3.47Å; E225-L228 PolarHBondContact O-N 3.23Å; L228-S230 PolarHBondContact O-N 3.29Å; L228-K232 WeakPolarHBondContact O-CA 3.34Å; L228-K232 PolarHBondContact O-N 3.46Å; L228-D233 WeakPolarHBondContact CD2-O 3.35Å; L228-V237 HydrophobicContact CD1-CG2 4.36Å; L228-V237 HydrophobicContact CD2-CG2 3.94Å; L228-V237 HydrophobicContact CG-CG2 4.31Å
229K97.5Very high96.1Very high137 Ų13756.5 Ų56.560%0.59630%0.298SS*.Hα-helixtrans-56.9-35.3170.5-80.9173.7-179.3166.30112E225 F227E225-K229 WeakPolarHBondContact O-CG 3.32Å; E225-K229 PolarHBondContact O-N 2.94Å; E225-K229 WeakPolarHBondContact OE1-CE 3.48Å; E225-K229 IonicContact OE1-NZ 3.78Å; E225-K229 PolarHBondContact OE1-NZ 3.06Å; F227-K229 VanDerWaalsContact C-N 3.34Å; F227-K229 PolarHBondContact O-N 3Å
230S96.9Very high96.1Very high52 Ų5256.2 Ų56.236%0.36430%0.297SS..Hα-helixtrans-94.3-49.4-179.6-59.30000112.7F227 L228 K232F227-S230 PolarHBondContact O-N 3.34Å; F227-S230 VanDerWaalsContact O-N 3.14Å; L228-S230 PolarHBondContact O-N 3.29Å; S230-K232 PolarHBondContact O-N 3.22Å
231A96Very high96Very high23 Ų2356.2 Ų56.219%0.1930%0.297CS..Hα-helixtrans-71.7-28.6-176.400000113.4Y199 F227 D233 M236Y199-A231 HydrophobicContact CD2-CB 4.38Å; Y199-A231 HydrophobicContact CE2-CB 4.42Å; F227-A231 HydrophobicContact CD1-CB 4.17Å; F227-A231 HydrophobicContact CD2-CB 4.44Å; F227-A231 HydrophobicContact CE1-CB 3.65Å; F227-A231 HydrophobicContact CE2-CB 3.94Å; F227-A231 HydrophobicContact CZ-CB 3.51Å; F227-A231 WeakPolarHBondContact O-CB 3.3Å; F227-A231 PolarHBondContact O-N 2.89Å; A231-D233 PolarHBondContact O-N 3.35Å; A231-M236 HydrophobicContact CB-CB 4.5Å
232K94.4Very high96Very high177 Ų17751.4 Ų51.477%0.7727%0.274SS*.  trans55.313.4176.9-59.3-179.4-177.8-179.90116.3L228 S230L228-K232 WeakPolarHBondContact O-CA 3.34Å; L228-K232 PolarHBondContact O-N 3.46Å; S230-K232 PolarHBondContact O-N 3.22Å
233D94Very high96Very high62 Ų6249.2 Ų49.233%0.33226%0.259SS..  trans-134.7112.6177.9179.16.3000110.6L228 A231 A235 M236L228-D233 WeakPolarHBondContact CD2-O 3.35Å; A231-D233 PolarHBondContact O-N 3.35Å; D233-A235 PolarHBondContact O-N 3.38Å; D233-A235 WeakPolarHBondContact OD1-CB 3.41Å; D233-A235 PolarHBondContact OD1-N 2.96Å; D233-M236 HydrophobicContact CB-CG 3.9Å; D233-M236 WeakPolarHBondContact O-CB 3.45Å; D233-M236 PolarHBondContact O-N 3.11Å; D233-M236 WeakPolarHBondContact OD2-CE 3.37Å
234P92.6Very high96Very high97 Ų9749.2 Ų49.263%0.6326%0.259SS*.G310 helixtrans-54.7-29.7174.9-26.636000114.4M236 V237P234-M236 PolarHBondContact O-N 3.05Å; P234-V237 WeakPolarHBondContact O-CB 3.24Å; P234-V237 WeakPolarHBondContact O-CG2 3.29Å; P234-V237 PolarHBondContact O-N 2.78Å
235A91.4Very high95.7Very high66 Ų6647.1 Ų47.155%0.54525%0.25SS..G310 helixtrans-65.8-21.9178.500000112.5D233 V237D233-A235 PolarHBondContact O-N 3.38Å; D233-A235 WeakPolarHBondContact OD1-CB 3.41Å; D233-A235 PolarHBondContact OD1-N 2.96Å; A235-V237 VanDerWaalsContact C-N 3.25Å; A235-V237 PolarHBondContact O-N 3.02Å
236M93.3Very high95.1Very high39 Ų3945.3 Ų45.319%0.19225%0.247CC..G310 helixtrans-74.5-13.8178.2-62.8-60.6128.200113.4C143 F227 A231 D233 P234 A238 K239 H240C143-M236 HydrophobicContact CB-CB 3.95Å; C143-M236 HydrophobicContact CB-CG 3.77Å; C143-M236 HydrophobicContact CB-SD 3.73Å; F227-M236 HydrophobicContact CE1-CB 3.87Å; F227-M236 HydrophobicContact CZ-CB 3.78Å; A231-M236 HydrophobicContact CB-CB 4.5Å; D233-M236 HydrophobicContact CB-CG 3.9Å; D233-M236 WeakPolarHBondContact O-CB 3.45Å; D233-M236 PolarHBondContact O-N 3.11Å; D233-M236 WeakPolarHBondContact OD2-CE 3.37Å; P234-M236 PolarHBondContact O-N 3.05Å; M236-A238 PolarHBondContact O-N 3.49Å; M236-K239 PolarHBondContact O-N 2.92Å; M236-K239 HydrophobicContact SD-CD 4.06Å; M236-H240 PolarHBondContact O-CD2 3.07Å; M236-H240 PolarHBondContact O-N 3.48Å
237V93.7Very high94.7Very high5 Ų544.5 Ų44.53%0.0325%0.247CC..Hα-helixtrans-56.4-40.1174.6174.50000110.7K224 F227 L228 P234 A235 K239 H240 F241K224-V237 HydrophobicContact CD-CG1 4.38Å; K224-V237 HydrophobicContact CD-CG2 4.29Å; K224-V237 HydrophobicContact CG-CG2 4.22Å; F227-V237 HydrophobicContact CD1-CG2 4.48Å; F227-V237 HydrophobicContact CE1-CG2 4.49Å; L228-V237 HydrophobicContact CD1-CG2 4.36Å; L228-V237 HydrophobicContact CD2-CG2 3.94Å; L228-V237 HydrophobicContact CG-CG2 4.31Å; P234-V237 WeakPolarHBondContact O-CB 3.24Å; P234-V237 WeakPolarHBondContact O-CG2 3.29Å; P234-V237 PolarHBondContact O-N 2.78Å; A235-V237 VanDerWaalsContact C-N 3.25Å; A235-V237 PolarHBondContact O-N 3.02Å; V237-K239 PolarHBondContact O-N 3.21Å; V237-K239 VanDerWaalsContact O-N 3.1Å; V237-H240 PolarHBondContact O-N 3.3Å; V237-F241 HydrophobicContact CB-CD2 4.38Å; V237-F241 HydrophobicContact CG1-CB 4.03Å; V237-F241 HydrophobicContact CG1-CD2 3.75Å; V237-F241 HydrophobicContact CG1-CG 4.03Å; V237-F241 PolarHBondContact O-N 2.87Å
238A91Very high94.3Very high31 Ų3145 Ų4526%0.25625%0.253SS..Hα-helixtrans-62.7-18.7179.400000114.2M236 D257 N260M236-A238 PolarHBondContact O-N 3.49Å; A238-D257 HydrophobicContact CB-CB 4.31Å; A238-N260 PolarHBondContact O-ND2 3.36Å
239K93.8Very high94.2Very high83 Ų8347.5 Ų47.536%0.36127%0.271SS..Hα-helixtrans-91.7-18.2175.6-65-173.5178.5-177.60113.5W140 M236 V237W140-K239 PolarHBondContact NE1-O 3.11Å; M236-K239 PolarHBondContact O-N 2.92Å; M236-K239 HydrophobicContact SD-CD 4.06Å; V237-K239 PolarHBondContact O-N 3.21Å; V237-K239 VanDerWaalsContact O-N 3.1Å
240H97.9Very high94Very high0 Ų044.6 Ų44.60%026%0.259CS..Hα-helixtrans-118.5-6.7-172.1-74.3-92.2000113.6G142 C143 Y199 T202 F204 F227 M236 V237G142-H240 VanDerWaalsContact CA-NE2 3.29Å; G142-H240 WeakPolarHBondContact CA-NE2 3.33Å; C143-H240 PolarHBondContact N-NE2 2.73Å; Y199-H240 PolarHBondContact O-CE1 2.69Å; Y199-H240 PolarHBondContact O-ND1 2.77Å; T202-H240 PolarHBondContact O-ND1 2.83Å; F204-H240 WeakPolarHBondContact CB-O 3.4Å; F204-H240 PolarHBondContact N-O 3.31Å; F227-H240 HydrophobicContact CD2-CB 4.27Å; F227-H240 HydrophobicContact CE1-CB 4.41Å; F227-H240 HydrophobicContact CE2-CB 3.84Å; F227-H240 AromaticContact CE2-CD2 3.34Å; F227-H240 WeakPolarHBondContact CE2-CD2 3.49Å; F227-H240 AromaticContact CE2-CE1 3.78Å; F227-H240 AromaticContact CE2-CG 3.31Å; F227-H240 AromaticContact CE2-ND1 3.61Å; F227-H240 AromaticContact CE2-NE2 3.63Å; F227-H240 HydrophobicContact CZ-CB 3.92Å; F227-H240 AromaticContact CZ-CD2 3.22Å; F227-H240 WeakPolarHBondContact CZ-CD2 3.18Å; F227-H240 AromaticContact CZ-CG 3.55Å; F227-H240 AromaticContact CZ-NE2 3.82Å; M236-H240 PolarHBondContact O-CD2 3.07Å; M236-H240 PolarHBondContact O-N 3.48Å; V237-H240 PolarHBondContact O-N 3.3Å
241F98.2Very high93.8Very high0 Ų042.1 Ų42.10%024%0.241CC..EExtended strand (participates in β ladder)trans-131.1130.3-179-67.8-101.4000110.6F204 I206 A223 K224 F227 V237 F254 I256F204-F241 HydrophobicContact CB-CD1 3.56Å; F204-F241 HydrophobicContact CB-CE1 3.58Å; F204-F241 HydrophobicContact CB-CG 4.15Å; F204-F241 HydrophobicContact CB-CZ 4.18Å; F204-F241 HydrophobicContact CD1-CE1 4.39Å; F204-F241 HydrophobicContact CD2-CD1 4.35Å; F204-F241 HydrophobicContact CD2-CD2 4.39Å; F204-F241 AromaticContact CD2-CE1 3.77Å; F204-F241 HydrophobicContact CD2-CE1 3.77Å; F204-F241 AromaticContact CD2-CE2 3.81Å; F204-F241 HydrophobicContact CD2-CE2 3.81Å; F204-F241 AromaticContact CD2-CZ 3.45Å; F204-F241 HydrophobicContact CD2-CZ 3.45Å; F204-F241 VanDerWaalsContact CD2-CZ 3.45Å; F204-F241 HydrophobicContact CE2-CE2 4.36Å; F204-F241 AromaticContact CE2-CZ 3.96Å; F204-F241 HydrophobicContact CE2-CZ 3.96Å; F204-F241 HydrophobicContact CG-CD1 4.15Å; F204-F241 AromaticContact CG-CE1 3.66Å; F204-F241 HydrophobicContact CG-CE1 3.66Å; F204-F241 AromaticContact CG-CZ 3.85Å; F204-F241 HydrophobicContact CG-CZ 3.85Å; F204-F241 WeakPolarHBondContact O-CA 3.13Å; I206-F241 HydrophobicContact CD1-CD1 4.09Å; I206-F241 HydrophobicContact CD1-CE1 4.43Å; I206-F241 HydrophobicContact CG1-CD1 4.24Å; A223-F241 HydrophobicContact CB-CE1 4.32Å; A223-F241 HydrophobicContact CB-CZ 4.5Å; K224-F241 HydrophobicContact CB-CE1 4.26Å; K224-F241 HydrophobicContact CB-CZ 4.06Å; F227-F241 HydrophobicContact CB-CE2 4.07Å; F227-F241 HydrophobicContact CB-CZ 4.22Å; F227-F241 AromaticContact CD1-CE2 3.97Å; F227-F241 HydrophobicContact CD1-CE2 3.97Å; F227-F241 AromaticContact CG-CE2 3.97Å; F227-F241 HydrophobicContact CG-CE2 3.97Å; V237-F241 HydrophobicContact CB-CD2 4.38Å; V237-F241 HydrophobicContact CG1-CB 4.03Å; V237-F241 HydrophobicContact CG1-CD2 3.75Å; V237-F241 HydrophobicContact CG1-CG 4.03Å; V237-F241 PolarHBondContact O-N 2.87Å; F241-F254 AromaticContact CD1-CE1 3.95Å; F241-F254 HydrophobicContact CD1-CE1 3.95Å; F241-F254 HydrophobicContact CD1-CZ 4.41Å; F241-F254 HydrophobicContact CE1-CE1 4.47Å; F241-F254 HydrophobicContact CG-CE1 4.45Å; F241-I256 HydrophobicContact CB-CD1 4Å; F241-I256 HydrophobicContact CB-CG1 3.67Å
242V98.3Very high93.7Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-126.6158.7170.5-53.70000109.6F131 L203 F204 I205 I206 N260 F262 L280F131-V242 HydrophobicContact CE1-CG1 4.47Å; F131-V242 HydrophobicContact CE2-CG1 3.93Å; F131-V242 HydrophobicContact CZ-CG1 3.64Å; L203-V242 HydrophobicContact CD1-CG1 4.12Å; F204-V242 PolarHBondContact O-N 3.33Å; I205-V242 HydrophobicContact CB-CG2 4.14Å; I205-V242 HydrophobicContact CG1-CG2 3.65Å; I205-V242 HydrophobicContact CG2-CG2 4.27Å; I206-V242 PolarHBondContact N-O 2.86Å; V242-N260 HydrophobicContact CB-CB 4.18Å; V242-N260 WeakPolarHBondContact CB-O 3.34Å; V242-N260 HydrophobicContact CG1-CB 3.87Å; V242-F262 HydrophobicContact CB-CE2 4.12Å; V242-F262 HydrophobicContact CG2-CE2 4.42Å; V242-L280 HydrophobicContact CG2-CD2 4.16Å
243A98.2Very high93.6Very high0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-123.6138-175.800000111.9F211 V251 I256 N260 M261 F262F211-A243 HydrophobicContact CE2-CB 3.78Å; F211-A243 HydrophobicContact CZ-CB 4.21Å; A243-V251 HydrophobicContact CB-CB 4.28Å; A243-V251 HydrophobicContact CB-CG1 3.56Å; A243-V251 HydrophobicContact CB-CG2 3.64Å; A243-I256 HydrophobicContact CB-CD1 3.99Å; A243-I256 HydrophobicContact CB-CG2 4.24Å; A243-N260 PolarHBondContact N-O 3.46Å; A243-M261 HydrophobicContact CB-CG 4.42Å; A243-M261 CarbonylContact O-C 3.45Å; A243-M261 WeakPolarHBondContact O-CA 3.28Å; A243-F262 PolarHBondContact O-N 2.83Å
244L97.6Very high93.6Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-110.4101.6168.3-39178000106.4I205 I206 A207 S208 F262 F264 A277 I278 L280I205-L244 HydrophobicContact CG2-CD1 3.43Å; I205-L244 VanDerWaalsContact CG2-CD1 3.43Å; I205-L244 HydrophobicContact CG2-CD2 3.96Å; I205-L244 HydrophobicContact CG2-CG 3.56Å; I206-L244 PolarHBondContact O-N 2.94Å; A207-L244 HydrophobicContact CB-CB 4.47Å; A207-L244 HydrophobicContact CB-CD1 3.89Å; A207-L244 HydrophobicContact CB-CG 4.4Å; S208-L244 CarbonylContact C-O 3.55Å; S208-L244 PolarHBondContact N-O 3.08Å; S208-L244 VanDerWaalsContact O-O 3.13Å; L244-F262 WeakPolarHBondContact CA-O 3.33Å; L244-F262 HydrophobicContact CD2-CB 3.77Å; L244-F262 HydrophobicContact CD2-CD2 3.87Å; L244-F262 HydrophobicContact CD2-CG 4.08Å; L244-F264 HydrophobicContact CB-CE1 4.5Å; L244-A277 WeakPolarHBondContact CD1-O 3.24Å; L244-I278 HydrophobicContact CB-CD1 4Å; L244-I278 HydrophobicContact CD1-CD1 4.21Å; L244-L280 HydrophobicContact CD1-CB 4.29Å; L244-L280 HydrophobicContact CD2-CB 3.9Å; L244-L280 HydrophobicContact CD2-CD2 3.69Å; L244-L280 HydrophobicContact CD2-CG 4.44Å
245S93.5Very high93.6Very high0 Ų040.2 Ų40.20%023%0.229CC..  trans-161163.7-165.3-174.80000112.6S208 N247 F262 E263S208-S245 WeakPolarHBondContact O-CB 3.49Å; S208-S245 PolarHBondContact O-OG 3.23Å; S245-N247 PolarHBondContact OG-N 3.14Å; S245-F262 PolarHBondContact N-O 3.48Å; S245-E263 WeakPolarHBondContact O-CA 3.45Å
246T84.4Confident93.7Very high69 Ų6937.3 Ų37.342%0.42320%0.204SC..SBendtrans-107.95.5169.277.20000112.1K209 F264K209-T246 HydrophobicContact CG-CG2 4.17Å; K209-T246 PolarHBondContact O-N 3.37Å; K209-T246 PolarHBondContact O-OG1 3.12Å; T246-F264 HydrophobicContact CG2-CD1 4.42Å; T246-F264 HydrophobicContact CG2-CD2 4.13Å; T246-F264 HydrophobicContact CG2-CE2 4.29Å; T246-F264 HydrophobicContact CG2-CG 4.24Å; T246-F264 WeakPolarHBondContact CG2-O 3.49Å
247N90.1Very high93.5Very high45 Ų4537.7 Ų37.724%0.24121%0.207CC..  trans-119.273.2-169.3-167-15.9000112T210 F211 S245 K250 V251T210-N247 PolarHBondContact O-ND2 2.62Å; F211-N247 HydrophobicContact CB-CB 4.13Å; S245-N247 PolarHBondContact OG-N 3.14Å; N247-K250 HydrophobicContact CB-CB 4.38Å; N247-K250 WeakPolarHBondContact ND2-CG 3.24Å; N247-K250 PolarHBondContact O-N 3.48Å; N247-K250 VanDerWaalsContact O-N 3.16Å; N247-K250 PolarHBondContact OD1-N 3.33Å; N247-V251 WeakPolarHBondContact O-CG2 3.21Å; N247-V251 PolarHBondContact O-N 2.89Å
248G90.7Very high93.2Very high12 Ų1242.4 Ų42.412%0.12423%0.229CC..Hα-helixtrans-48.1-47.9178.400000114.7K250 V251 K252 M261G248-K250 PolarHBondContact O-N 2.91Å; G248-V251 PolarHBondContact O-N 3.4Å; G248-K252 WeakPolarHBondContact O-CB 3.35Å; G248-K252 PolarHBondContact O-N 3Å; G248-M261 VanDerWaalsContact CA-SD 3.57Å
249P93.8Very high93.2Very high99 Ų9949.5 Ų49.564%0.64325%0.249SC*.Hα-helixtrans-56.2-44.5178.2-28.736.4000113.9K252 E253P249-K252 PolarHBondContact O-N 3.02Å; P249-E253 WeakPolarHBondContact O-CB 3.49Å; P249-E253 PolarHBondContact O-N 3.38Å
250K94Very high93.2Very high77 Ų7746.2 Ų46.234%0.33524%0.236SC..Hα-helixtrans-72.5-33.4179.1-76-73.7170.6-161.20113F211 N247 G248 E253 F254F211-K250 HydrophobicContact CB-CB 4.01Å; F211-K250 HydrophobicContact CD1-CB 3.95Å; F211-K250 HydrophobicContact CG-CB 4.42Å; N247-K250 HydrophobicContact CB-CB 4.38Å; N247-K250 WeakPolarHBondContact ND2-CG 3.24Å; N247-K250 PolarHBondContact O-N 3.48Å; N247-K250 VanDerWaalsContact O-N 3.16Å; N247-K250 PolarHBondContact OD1-N 3.33Å; G248-K250 PolarHBondContact O-N 2.91Å; K250-E253 WeakPolarHBondContact CD-OE2 3.38Å; K250-E253 WeakPolarHBondContact CE-OE2 3.33Å; K250-E253 VanDerWaalsContact NZ-CD 3.31Å; K250-E253 IonicContact NZ-OE1 2.79Å; K250-E253 PolarHBondContact NZ-OE1 3.21Å; K250-E253 VanDerWaalsContact NZ-OE1 3.11Å; K250-E253 IonicContact NZ-OE2 2.72Å; K250-E253 PolarHBondContact NZ-OE2 3.01Å; K250-E253 PolarHBondContact O-N 3.48Å; K250-F254 PolarHBondContact O-N 2.8Å; K250-F254 VanDerWaalsContact O-N 3.07Å
251V93.3Very high93.1Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-62.8-45.1173.3171.10000110.7F211 A243 N247 G248 F254 G255 I256 M261F211-V251 HydrophobicContact CD1-CG2 4.04Å; F211-V251 HydrophobicContact CD2-CG2 3.76Å; F211-V251 HydrophobicContact CE1-CG2 4.09Å; F211-V251 HydrophobicContact CE2-CG2 3.82Å; F211-V251 HydrophobicContact CG-CG2 3.86Å; F211-V251 HydrophobicContact CZ-CG2 3.98Å; A243-V251 HydrophobicContact CB-CB 4.28Å; A243-V251 HydrophobicContact CB-CG1 3.56Å; A243-V251 HydrophobicContact CB-CG2 3.64Å; N247-V251 WeakPolarHBondContact O-CG2 3.21Å; N247-V251 PolarHBondContact O-N 2.89Å; G248-V251 PolarHBondContact O-N 3.4Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 3.04Å; V251-G255 PolarHBondContact O-N 3.3Å; V251-I256 HydrophobicContact CG1-CB 3.69Å; V251-I256 HydrophobicContact CG1-CG2 3.69Å; V251-I256 PolarHBondContact O-N 3.39Å; V251-M261 HydrophobicContact CB-SD 4.08Å; V251-M261 HydrophobicContact CG1-CB 4.36Å; V251-M261 HydrophobicContact CG1-CG 4.43Å; V251-M261 HydrophobicContact CG1-SD 4.29Å; V251-M261 HydrophobicContact CG2-CG 4.36Å; V251-M261 HydrophobicContact CG2-SD 3.8Å
252K92.6Very high93.1Very high124 Ų12447.2 Ų47.254%0.53924%0.241SC..Hα-helixtrans-65.6-42.9176.3-172.1177.4-166.1157.40112.4G248 P249 F254 G255 E258G248-K252 WeakPolarHBondContact O-CB 3.35Å; G248-K252 PolarHBondContact O-N 3Å; P249-K252 PolarHBondContact O-N 3.02Å; K252-F254 PolarHBondContact O-N 3Å; K252-G255 WeakPolarHBondContact O-CA 3.31Å; K252-G255 PolarHBondContact O-N 2.8Å; K252-E258 IonicContact NZ-OE1 2.67Å
253E92.9Very high92.9Very high139 Ų13950.5 Ų50.565%0.6526%0.256SS*.Hα-helixtrans-57.2-36.4174.7-175.3-176.515200111.8P249 K250 G255P249-E253 WeakPolarHBondContact O-CB 3.49Å; P249-E253 PolarHBondContact O-N 3.38Å; K250-E253 WeakPolarHBondContact CD-OE2 3.38Å; K250-E253 WeakPolarHBondContact CE-OE2 3.33Å; K250-E253 VanDerWaalsContact NZ-CD 3.31Å; K250-E253 IonicContact NZ-OE1 2.79Å; K250-E253 PolarHBondContact NZ-OE1 3.21Å; K250-E253 VanDerWaalsContact NZ-OE1 3.11Å; K250-E253 IonicContact NZ-OE2 2.72Å; K250-E253 PolarHBondContact NZ-OE2 3.01Å; K250-E253 PolarHBondContact O-N 3.48Å; E253-G255 VanDerWaalsContact C-N 3.26Å; E253-G255 PolarHBondContact O-N 3.04Å
254F93.8Very high92.7Very high16 Ų1651 Ų517%0.0726%0.258CS..Hα-helixtrans-69.5-23.2175.7-175.1-89.4000113.4F211 A220 E221 K224 F241 K250 V251 K252 I256F211-F254 HydrophobicContact CE1-CB 3.77Å; F211-F254 HydrophobicContact CE1-CD2 4.48Å; F211-F254 HydrophobicContact CE1-CG 4.11Å; F211-F254 HydrophobicContact CZ-CB 4.47Å; F211-F254 HydrophobicContact CZ-CG 4.49Å; A220-F254 HydrophobicContact CB-CE2 3.77Å; A220-F254 HydrophobicContact CB-CZ 3.76Å; A220-F254 WeakPolarHBondContact O-CZ 3.47Å; E221-F254 HydrophobicContact CG-CD2 4.46Å; E221-F254 HydrophobicContact CG-CE2 3.91Å; K224-F254 HydrophobicContact CB-CZ 3.99Å; K224-F254 HydrophobicContact CD-CD1 4.42Å; K224-F254 HydrophobicContact CD-CE1 3.88Å; K224-F254 HydrophobicContact CD-CE2 4.39Å; K224-F254 HydrophobicContact CD-CZ 3.86Å; K224-F254 PolarHBondContact NZ-O 2.79Å; F241-F254 AromaticContact CD1-CE1 3.95Å; F241-F254 HydrophobicContact CD1-CE1 3.95Å; F241-F254 HydrophobicContact CD1-CZ 4.41Å; F241-F254 HydrophobicContact CE1-CE1 4.47Å; F241-F254 HydrophobicContact CG-CE1 4.45Å; K250-F254 PolarHBondContact O-N 2.8Å; K250-F254 VanDerWaalsContact O-N 3.07Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 3.04Å; K252-F254 PolarHBondContact O-N 3Å; F254-I256 HydrophobicContact CD1-CD1 3.64Å; F254-I256 HydrophobicContact CD1-CG1 3.86Å; F254-I256 HydrophobicContact CE1-CD1 4.04Å; F254-I256 HydrophobicContact CE1-CG1 4.35Å
255G92.5Very high92.6Very high39 Ų3953.3 Ų53.340%0.40227%0.267SS..THydrogen-bonded Turntrans104.914.3179.500000114.8V251 K252 E253V251-G255 PolarHBondContact O-N 3.3Å; K252-G255 WeakPolarHBondContact O-CA 3.31Å; K252-G255 PolarHBondContact O-N 2.8Å; E253-G255 VanDerWaalsContact C-N 3.26Å; E253-G255 PolarHBondContact O-N 3.04Å
256I93.8Very high92.6Very high5 Ų557.1 Ų57.13%0.02629%0.287CS..  trans-86.9136.4174.7-69.3161.1000109.2I206 F211 F241 A243 V251 F254 N260I206-I256 HydrophobicContact CG1-CD1 4.21Å; F211-I256 HydrophobicContact CZ-CD1 4.08Å; F241-I256 HydrophobicContact CB-CD1 4Å; F241-I256 HydrophobicContact CB-CG1 3.67Å; A243-I256 HydrophobicContact CB-CD1 3.99Å; A243-I256 HydrophobicContact CB-CG2 4.24Å; V251-I256 HydrophobicContact CG1-CB 3.69Å; V251-I256 HydrophobicContact CG1-CG2 3.69Å; V251-I256 PolarHBondContact O-N 3.39Å; F254-I256 HydrophobicContact CD1-CD1 3.64Å; F254-I256 HydrophobicContact CD1-CG1 3.86Å; F254-I256 HydrophobicContact CE1-CD1 4.04Å; F254-I256 HydrophobicContact CE1-CG1 4.35Å; I256-N260 HydrophobicContact CG2-CB 4.01Å
257D88.8Confident93.2Very high47 Ų4754.3 Ų54.325%0.25127%0.269SS..  trans-62.2133.9173.3-168.2-44.1000109.8A238 R259 N260A238-D257 HydrophobicContact CB-CB 4.31Å; D257-R259 PolarHBondContact O-N 2.98Å; D257-R259 VanDerWaalsContact O-N 3.16Å; D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.5Å; D257-R259 WeakPolarHBondContact OD1-CG 3.32Å; D257-R259 PolarHBondContact OD1-N 3.01Å; D257-R259 IonicContact OD1-NE 3.33Å; D257-R259 PolarHBondContact OD1-NE 3.37Å; D257-R259 VanDerWaalsContact OD1-NE 3.16Å; D257-R259 IonicContact OD2-CZ 3.11Å; D257-R259 IonicContact OD2-NE 3.87Å; D257-R259 PolarHBondContact OD2-NE 3.39Å; D257-R259 VanDerWaalsContact OD2-NE 3.14Å; D257-R259 IonicContact OD2-NH2 3.61Å; D257-R259 PolarHBondContact OD2-NH2 2.93Å; D257-N260 HydrophobicContact CB-CB 4.48Å; D257-N260 WeakPolarHBondContact O-CA 3.13Å; D257-N260 WeakPolarHBondContact O-CB 3.46Å; D257-N260 PolarHBondContact O-N 3.32Å
258E87.3Confident93.5Very high104 Ų10452.2 Ų52.249%0.48626%0.257SS..G310 helixtrans-59.4-28179.1-70.7173.5158.200112K252 N260 M261K252-E258 IonicContact NZ-OE1 2.67Å; E258-N260 PolarHBondContact O-N 3.33Å; E258-M261 WeakPolarHBondContact O-CB 3.42Å; E258-M261 PolarHBondContact O-N 2.98Å; E258-M261 VanDerWaalsContact O-N 3.09Å
259R91.7Very high93.7Very high181 Ų18152.6 Ų52.668%0.68326%0.261SS*.G310 helixtrans-66-18.6172.9-62.1176.5-65.1166.12.3113H127 D257H127-R259 PolarHBondContact CE1-O 3Å; H127-R259 PolarHBondContact NE2-O 3.02Å; D257-R259 PolarHBondContact O-N 2.98Å; D257-R259 VanDerWaalsContact O-N 3.16Å; D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.5Å; D257-R259 WeakPolarHBondContact OD1-CG 3.32Å; D257-R259 PolarHBondContact OD1-N 3.01Å; D257-R259 IonicContact OD1-NE 3.33Å; D257-R259 PolarHBondContact OD1-NE 3.37Å; D257-R259 VanDerWaalsContact OD1-NE 3.16Å; D257-R259 IonicContact OD2-CZ 3.11Å; D257-R259 IonicContact OD2-NE 3.87Å; D257-R259 PolarHBondContact OD2-NE 3.39Å; D257-R259 VanDerWaalsContact OD2-NE 3.14Å; D257-R259 IonicContact OD2-NH2 3.61Å; D257-R259 PolarHBondContact OD2-NH2 2.93Å
260N93.1Very high93.7Very high14 Ų1449.3 Ų49.38%0.07525%0.246CC..G310 helixtrans-99.313176.5-64.8-7.3000112.1A238 V242 A243 I256 D257 E258A238-N260 PolarHBondContact O-ND2 3.36Å; V242-N260 HydrophobicContact CB-CB 4.18Å; V242-N260 WeakPolarHBondContact CB-O 3.34Å; V242-N260 HydrophobicContact CG1-CB 3.87Å; A243-N260 PolarHBondContact N-O 3.46Å; I256-N260 HydrophobicContact CG2-CB 4.01Å; D257-N260 HydrophobicContact CB-CB 4.48Å; D257-N260 WeakPolarHBondContact O-CA 3.13Å; D257-N260 WeakPolarHBondContact O-CB 3.46Å; D257-N260 PolarHBondContact O-N 3.32Å; E258-N260 PolarHBondContact O-N 3.33Å
261M95.9Very high93.8Very high21 Ų2145.9 Ų45.910%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-92.8127171-169.3174.97000110.1A243 G248 V251 E258 E263A243-M261 HydrophobicContact CB-CG 4.42Å; A243-M261 CarbonylContact O-C 3.45Å; A243-M261 WeakPolarHBondContact O-CA 3.28Å; G248-M261 VanDerWaalsContact CA-SD 3.57Å; V251-M261 HydrophobicContact CB-SD 4.08Å; V251-M261 HydrophobicContact CG1-CB 4.36Å; V251-M261 HydrophobicContact CG1-CG 4.43Å; V251-M261 HydrophobicContact CG1-SD 4.29Å; V251-M261 HydrophobicContact CG2-CG 4.36Å; V251-M261 HydrophobicContact CG2-SD 3.8Å; E258-M261 WeakPolarHBondContact O-CB 3.42Å; E258-M261 PolarHBondContact O-N 2.98Å; E258-M261 VanDerWaalsContact O-N 3.09Å; M261-E263 HydrophobicContact CE-CG 3.77Å; M261-E263 WeakPolarHBondContact CE-OE1 3.39Å
262F97.9Very high94.1Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-107.7108.8175.4-58.6-95000108.3H127 M128 F131 V242 A243 L244 S245 A277 L280H127-F262 AromaticContact CD2-CE1 3.94Å; H127-F262 AromaticContact CE1-CD1 3.93Å; H127-F262 AromaticContact CE1-CE1 3.61Å; H127-F262 AromaticContact CE1-CZ 3.92Å; H127-F262 AromaticContact CG-CE1 3.81Å; H127-F262 AromaticContact ND1-CD1 3.63Å; H127-F262 AromaticContact ND1-CE1 3.61Å; H127-F262 AromaticContact NE2-CE1 3.82Å; M128-F262 HydrophobicContact CG-CD1 3.79Å; M128-F262 HydrophobicContact CG-CE1 4.26Å; F131-F262 HydrophobicContact CB-CE1 3.97Å; F131-F262 HydrophobicContact CB-CZ 3.69Å; F131-F262 AromaticContact CD1-CZ 3.9Å; F131-F262 HydrophobicContact CD1-CZ 3.9Å; F131-F262 HydrophobicContact CD2-CZ 4.01Å; F131-F262 HydrophobicContact CG-CE1 4.34Å; F131-F262 HydrophobicContact CG-CE2 4.46Å; F131-F262 AromaticContact CG-CZ 3.58Å; F131-F262 HydrophobicContact CG-CZ 3.58Å; V242-F262 HydrophobicContact CB-CE2 4.12Å; V242-F262 HydrophobicContact CG2-CE2 4.42Å; A243-F262 PolarHBondContact O-N 2.83Å; L244-F262 WeakPolarHBondContact CA-O 3.33Å; L244-F262 HydrophobicContact CD2-CB 3.77Å; L244-F262 HydrophobicContact CD2-CD2 3.87Å; L244-F262 HydrophobicContact CD2-CG 4.08Å; S245-F262 PolarHBondContact N-O 3.48Å; F262-A277 HydrophobicContact CB-CB 3.63Å; F262-A277 WeakPolarHBondContact O-CB 3.24Å; F262-L280 HydrophobicContact CD2-CD2 3.76Å; F262-L280 HydrophobicContact CE1-CD1 4.44Å; F262-L280 HydrophobicContact CE1-CD2 4.44Å; F262-L280 HydrophobicContact CE2-CD2 3.65Å; F262-L280 HydrophobicContact CG-CD2 4.22Å; F262-L280 HydrophobicContact CZ-CD2 4.02Å
263E95.5Very high94.3Very high69 Ų6940.2 Ų40.232%0.32221%0.206SC..  trans-77.9153.9-172.7-69.5174.6154.200112.8R123 V124 S245 M261 A277R123-E263 IonicContact CZ-OE2 2.83Å; R123-E263 IonicContact NH1-OE2 3.86Å; R123-E263 IonicContact NH2-OE2 3.34Å; R123-E263 PolarHBondContact NH2-OE2 3.21Å; V124-E263 WeakPolarHBondContact CG1-O 3.46Å; V124-E263 HydrophobicContact CG2-CB 4.26Å; S245-E263 WeakPolarHBondContact O-CA 3.45Å; M261-E263 HydrophobicContact CE-CG 3.77Å; M261-E263 WeakPolarHBondContact CE-OE1 3.39Å; E263-A277 WeakPolarHBondContact O-CB 3.41Å
264F92.9Very high94.6Very high10 Ų1033.7 Ų33.74%0.04418%0.176CC..  trans-148.2-174.1163.861.1-84000108.8K209 L244 T246 V268 A277 I278K209-F264 HydrophobicContact CB-CE2 3.66Å; K209-F264 HydrophobicContact CB-CZ 3.51Å; K209-F264 HydrophobicContact CD-CE2 3.92Å; K209-F264 HydrophobicContact CG-CE2 3.54Å; K209-F264 HydrophobicContact CG-CZ 3.86Å; L244-F264 HydrophobicContact CB-CE1 4.5Å; T246-F264 HydrophobicContact CG2-CD1 4.42Å; T246-F264 HydrophobicContact CG2-CD2 4.13Å; T246-F264 HydrophobicContact CG2-CE2 4.29Å; T246-F264 HydrophobicContact CG2-CG 4.24Å; T246-F264 WeakPolarHBondContact CG2-O 3.49Å; F264-V268 HydrophobicContact CD2-CB 4.12Å; F264-V268 HydrophobicContact CD2-CG1 4.37Å; F264-A277 HydrophobicContact CD1-CB 4.26Å; F264-I278 HydrophobicContact CE1-CD1 3.93Å; F264-I278 HydrophobicContact CE1-CG1 4.17Å; F264-I278 HydrophobicContact CZ-CD1 4Å; F264-I278 HydrophobicContact CZ-CG1 4.18Å
265W95.6Very high94.9Very high49 Ų4933 Ų3319%0.18617%0.173CC..  trans-123.7166.3-165.6-51-84.4000113.4L102 E120 V121 V124 W267 V268L102-W265 HydrophobicContact CD2-CE3 3.92Å; L102-W265 HydrophobicContact CD2-CZ3 3.45Å; L102-W265 VanDerWaalsContact CD2-CZ3 3.45Å; E120-W265 HydrophobicContact CB-CZ2 3.71Å; V121-W265 VanDerWaalsContact CA-CH2 3.49Å; V121-W265 HydrophobicContact CB-CH2 4.16Å; V121-W265 HydrophobicContact CG2-CE3 4.46Å; V121-W265 HydrophobicContact CG2-CH2 3.66Å; V121-W265 HydrophobicContact CG2-CZ2 4.31Å; V121-W265 HydrophobicContact CG2-CZ3 3.71Å; V124-W265 HydrophobicContact CG2-CH2 4.2Å; V124-W265 HydrophobicContact CG2-CZ2 4.24Å; W265-W267 VanDerWaalsContact C-N 3.3Å; W265-W267 HydrophobicContact CB-CD2 3.77Å; W265-W267 HydrophobicContact CB-CE3 4.5Å; W265-W267 HydrophobicContact CB-CG 4.02Å; W265-W267 HydrophobicContact CB-CZ2 3.78Å; W265-W267 AromaticContact CD2-CE2 3.82Å; W265-W267 AromaticContact CD2-CH2 3.77Å; W265-W267 HydrophobicContact CD2-CH2 3.77Å; W265-W267 AromaticContact CD2-CZ2 3.25Å; W265-W267 HydrophobicContact CD2-CZ2 3.25Å; W265-W267 AromaticContact CE3-CE2 3.94Å; W265-W267 AromaticContact CE3-CH2 3.09Å; W265-W267 HydrophobicContact CE3-CH2 3.09Å; W265-W267 AromaticContact CE3-CZ2 3.14Å; W265-W267 HydrophobicContact CE3-CZ2 3.14Å; W265-W267 AromaticContact CE3-CZ3 3.84Å; W265-W267 HydrophobicContact CE3-CZ3 3.84Å; W265-W267 HydrophobicContact CG-CD2 4.45Å; W265-W267 AromaticContact CG-CE2 3.57Å; W265-W267 HydrophobicContact CG-CH2 4.38Å; W265-W267 AromaticContact CG-CZ2 3.54Å; W265-W267 HydrophobicContact CG-CZ2 3.54Å; W265-W267 AromaticContact CG-NE1 3.58Å; W265-W267 AromaticContact CZ3-CH2 3.65Å; W265-W267 HydrophobicContact CZ3-CH2 3.65Å; W265-W267 AromaticContact CZ3-CZ2 3.99Å; W265-W267 HydrophobicContact CZ3-CZ2 3.99Å; W265-W267 HydrophobicContact CZ3-CZ3 4.49Å; W265-W267 PolarHBondContact O-N 3.39Å; W265-V268 HydrophobicContact CB-CG2 4.43Å; W265-V268 HydrophobicContact CE3-CG2 4Å; W265-V268 WeakPolarHBondContact O-CB 3.5Å; W265-V268 PolarHBondContact O-N 3.45Å; W265-V268 VanDerWaalsContact O-N 3.09Å
266D93.9Very high95.1Very high79 Ų7931.3 Ų31.342%0.42216%0.155SC..THydrogen-bonded Turntrans-66.2-31.5-178.370.4-21.4000113.2R95 K209 V268R95-D266 IonicContact NE-OD2 3.16Å; K209-D266 PolarHBondContact NZ-O 3.05Å; D266-V268 PolarHBondContact O-N 3.12Å
267W96.7Very high95.3Very high11 Ų1131.1 Ų31.14%0.04215%0.154CC..THydrogen-bonded Turntrans-71-4.4172.551.6-104.7000114.5A96 L98 A101 L102 V117 V121 W265A96-W267 HydrophobicContact CB-CB 3.92Å; A96-W267 VanDerWaalsContact O-CA 3.25Å; A96-W267 WeakPolarHBondContact O-CA 3.46Å; A96-W267 WeakPolarHBondContact O-CB 3.19Å; L98-W267 HydrophobicContact CB-CB 4.41Å; L98-W267 HydrophobicContact CB-CD2 3.74Å; L98-W267 HydrophobicContact CB-CE3 3.33Å; L98-W267 HydrophobicContact CB-CG 4.24Å; L98-W267 HydrophobicContact CB-CH2 4.5Å; L98-W267 HydrophobicContact CB-CZ3 3.76Å; L98-W267 HydrophobicContact CD1-CD2 4.38Å; L98-W267 HydrophobicContact CD1-CG 4.5Å; L98-W267 PolarHBondContact N-O 2.91Å; L98-W267 WeakPolarHBondContact O-CZ3 3.15Å; A101-W267 HydrophobicContact CB-CH2 4.18Å; A101-W267 HydrophobicContact CB-CZ3 4.33Å; L102-W267 HydrophobicContact CD2-CH2 3.65Å; L102-W267 HydrophobicContact CD2-CZ3 3.58Å; L102-W267 HydrophobicContact CG-CH2 4.36Å; L102-W267 HydrophobicContact CG-CZ3 3.88Å; V117-W267 HydrophobicContact CB-CZ2 3.99Å; V117-W267 HydrophobicContact CG1-CZ2 4.22Å; V117-W267 HydrophobicContact CG2-CZ2 4.2Å; V121-W267 HydrophobicContact CG2-CH2 3.95Å; V121-W267 HydrophobicContact CG2-CZ2 4.43Å; W265-W267 VanDerWaalsContact C-N 3.3Å; W265-W267 HydrophobicContact CB-CD2 3.77Å; W265-W267 HydrophobicContact CB-CE3 4.5Å; W265-W267 HydrophobicContact CB-CG 4.02Å; W265-W267 HydrophobicContact CB-CZ2 3.78Å; W265-W267 AromaticContact CD2-CE2 3.82Å; W265-W267 AromaticContact CD2-CH2 3.77Å; W265-W267 HydrophobicContact CD2-CH2 3.77Å; W265-W267 AromaticContact CD2-CZ2 3.25Å; W265-W267 HydrophobicContact CD2-CZ2 3.25Å; W265-W267 AromaticContact CE3-CE2 3.94Å; W265-W267 AromaticContact CE3-CH2 3.09Å; W265-W267 HydrophobicContact CE3-CH2 3.09Å; W265-W267 AromaticContact CE3-CZ2 3.14Å; W265-W267 HydrophobicContact CE3-CZ2 3.14Å; W265-W267 AromaticContact CE3-CZ3 3.84Å; W265-W267 HydrophobicContact CE3-CZ3 3.84Å; W265-W267 HydrophobicContact CG-CD2 4.45Å; W265-W267 AromaticContact CG-CE2 3.57Å; W265-W267 HydrophobicContact CG-CH2 4.38Å; W265-W267 AromaticContact CG-CZ2 3.54Å; W265-W267 HydrophobicContact CG-CZ2 3.54Å; W265-W267 AromaticContact CG-NE1 3.58Å; W265-W267 AromaticContact CZ3-CH2 3.65Å; W265-W267 HydrophobicContact CZ3-CH2 3.65Å; W265-W267 AromaticContact CZ3-CZ2 3.99Å; W265-W267 HydrophobicContact CZ3-CZ2 3.99Å; W265-W267 HydrophobicContact CZ3-CZ3 4.49Å; W265-W267 PolarHBondContact O-N 3.39Å
268V96.6Very high95.8Very high0 Ų028.9 Ų28.90%014%0.142CC..SBendtrans-88.3102.9167.4-1730000108.6L102 K209 F264 W265 D266L102-V268 HydrophobicContact CD1-CG1 3.97Å; L102-V268 HydrophobicContact CD1-CG2 4Å; L102-V268 HydrophobicContact CD2-CG2 4.02Å; L102-V268 HydrophobicContact CG-CG2 4.42Å; K209-V268 PolarHBondContact NZ-O 3.38Å; F264-V268 HydrophobicContact CD2-CB 4.12Å; F264-V268 HydrophobicContact CD2-CG1 4.37Å; W265-V268 HydrophobicContact CB-CG2 4.43Å; W265-V268 HydrophobicContact CE3-CG2 4Å; W265-V268 WeakPolarHBondContact O-CB 3.5Å; W265-V268 PolarHBondContact O-N 3.45Å; W265-V268 VanDerWaalsContact O-N 3.09Å; D266-V268 PolarHBondContact O-N 3.12Å
269G94.4Very high96.3Very high20 Ų2023.9 Ų23.921%0.20612%0.119CC..  trans-68.5140.7170.500000110.7R271 Y272 S273G269-R271 PolarHBondContact O-N 2.8Å; G269-Y272 CarbonylContact O-C 3.54Å; G269-Y272 VanDerWaalsContact O-C 3.31Å; G269-Y272 WeakPolarHBondContact O-CA 3.47Å; G269-Y272 PolarHBondContact O-N 3.01Å; G269-S273 WeakPolarHBondContact O-CB 3.39Å; G269-S273 PolarHBondContact O-N 3.34Å
270G93.7Very high96.7Very high31 Ų3115.3 Ų15.332%0.329%0.086SC..G310 helixtrans-55.7-48.5-174.400000113.3G158 Y272 S273G158-G270 CarbonylContact C-O 3.57Å; G158-G270 WeakPolarHBondContact CA-O 3.32Å; G270-Y272 PolarHBondContact O-N 3.45Å; G270-Y272 VanDerWaalsContact O-N 3.1Å; G270-S273 WeakPolarHBondContact O-CB 3.45Å; G270-S273 PolarHBondContact O-N 3.41Å; G270-S273 VanDerWaalsContact O-N 3.16Å; G270-S273 PolarHBondContact O-OG 3.32Å
271R97.6Very high97Very high4 Ų414.6 Ų14.62%0.0158%0.082CC..G310 helixtrans-700.7176.866.2-171.7164.5-86.91.2115G269 Y349 Q352 E356 S357 S507 D509G269-R271 PolarHBondContact O-N 2.8Å; R271-Y349 PolarHBondContact O-OH 2.93Å; R271-Q352 HydrophobicContact CB-CG 3.89Å; R271-Q352 WeakPolarHBondContact CD-O 3.48Å; R271-E356 WeakPolarHBondContact CD-OE2 3.28Å; R271-E356 IonicContact CZ-OE2 3.27Å; R271-E356 IonicContact NE-OE2 3.25Å; R271-E356 IonicContact NH1-OE2 3.45Å; R271-E356 PolarHBondContact NH1-OE2 3.36Å; R271-S357 WeakPolarHBondContact CD-OG 3.43Å; R271-S357 PolarHBondContact NE-OG 3.32Å; R271-S507 PolarHBondContact NH2-O 2.66Å; R271-D509 PolarHBondContact NH2-O 2.89Å
272Y98.6Very high97.1Very high4 Ų413.6 Ų13.62%0.0168%0.078CC..G310 helixtrans-125.721.4175.6-60.3-81000111.6H99 G269 G270 W275 S357 E493 I496 F508H99-Y272 AromaticContact ND1-CG 3.93Å; G269-Y272 CarbonylContact O-C 3.54Å; G269-Y272 VanDerWaalsContact O-C 3.31Å; G269-Y272 WeakPolarHBondContact O-CA 3.47Å; G269-Y272 PolarHBondContact O-N 3.01Å; G270-Y272 PolarHBondContact O-N 3.45Å; G270-Y272 VanDerWaalsContact O-N 3.1Å; Y272-W275 VanDerWaalsContact O-CD1 3.24Å; Y272-S357 PolarHBondContact OH-OG 3.17Å; Y272-E493 HydrophobicContact CD1-CB 4.26Å; Y272-E493 HydrophobicContact CD1-CG 3.78Å; Y272-E493 HydrophobicContact CE1-CB 3.91Å; Y272-E493 HydrophobicContact CE1-CG 3.77Å; Y272-I496 WeakPolarHBondContact OH-CG2 3.44Å; Y272-F508 AromaticContact CE2-CD1 3.95Å; Y272-F508 HydrophobicContact CE2-CD1 3.95Å; Y272-F508 HydrophobicContact CE2-CE1 4.07Å
273S98.1Very high97.1Very high2 Ų213.6 Ų13.61%0.0148%0.078CC..  trans-99.1-13.2-165.570.50000115.1G158 G269 G270 W275 S276 I278G158-S273 PolarHBondContact O-OG 2.77Å; G269-S273 WeakPolarHBondContact O-CB 3.39Å; G269-S273 PolarHBondContact O-N 3.34Å; G270-S273 WeakPolarHBondContact O-CB 3.45Å; G270-S273 PolarHBondContact O-N 3.41Å; G270-S273 VanDerWaalsContact O-N 3.16Å; G270-S273 PolarHBondContact O-OG 3.32Å; S273-W275 PolarHBondContact O-N 3.03Å; S273-S276 WeakPolarHBondContact O-CB 3.38Å; S273-S276 PolarHBondContact O-N 2.82Å; S273-S276 PolarHBondContact O-OG 3.3Å; S273-I278 WeakPolarHBondContact O-CB 3.43Å; S273-I278 WeakPolarHBondContact OG-CG2 3.2Å
274L98.6Very high97.3Very high2 Ų210.3 Ų10.31%0.016%0.062CC..THydrogen-bonded Turntrans-57.5-19.8-174.572.785000114.1V166 S276 G279 I282 L294 Y349V166-L274 HydrophobicContact CG2-CD1 4.27Å; V166-L274 HydrophobicContact CG2-CD2 4.13Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-G279 WeakPolarHBondContact O-CA 3.48Å; L274-G279 PolarHBondContact O-N 3.38Å; L274-I282 HydrophobicContact CB-CD1 4.31Å; L274-I282 HydrophobicContact CD1-CD1 4.44Å; L274-L294 HydrophobicContact CD1-CD2 4.37Å; L274-Y349 HydrophobicContact CD2-CE2 3.69Å; L274-Y349 VanDerWaalsContact CD2-OH 3.32Å; L274-Y349 WeakPolarHBondContact CD2-OH 3.31Å
275W98.9Very high97.6Very high1 Ų110.2 Ų10.20%0.0046%0.062CC..THydrogen-bonded Turntrans-76.9-18.2177.4-39109.1000113.8L102 Y272 S273 L294 L295 A298 I489 E493L102-W275 HydrophobicContact CB-CB 3.72Å; L102-W275 HydrophobicContact CD1-CB 3.83Å; L102-W275 HydrophobicContact CG-CB 4.44Å; Y272-W275 VanDerWaalsContact O-CD1 3.24Å; S273-W275 PolarHBondContact O-N 3.03Å; W275-L294 HydrophobicContact CZ3-CD1 4.14Å; W275-L294 HydrophobicContact CZ3-CD2 4.45Å; W275-L294 HydrophobicContact CZ3-CG 3.92Å; W275-L295 HydrophobicContact CB-CD2 4Å; W275-L295 HydrophobicContact CE3-CD2 3.94Å; W275-A298 HydrophobicContact CE3-CB 4.18Å; W275-A298 HydrophobicContact CH2-CB 3.69Å; W275-A298 HydrophobicContact CZ2-CB 4.39Å; W275-A298 HydrophobicContact CZ3-CB 3.57Å; W275-I489 HydrophobicContact CH2-CB 3.84Å; W275-I489 HydrophobicContact CH2-CD1 4.05Å; W275-I489 HydrophobicContact CH2-CG2 3.89Å; W275-I489 HydrophobicContact CZ2-CB 3.94Å; W275-I489 HydrophobicContact CZ2-CG2 3.47Å; W275-I489 VanDerWaalsContact CZ2-CG2 3.47Å; W275-E493 PolarHBondContact NE1-OE1 2.95Å
276S98.3Very high97.7Very high4 Ų47.9 Ų7.93%0.0285%0.053CC..SBendtrans-89.7-162.2-177.571.30000111.8S273 L274 I278 G279S273-S276 WeakPolarHBondContact O-CB 3.38Å; S273-S276 PolarHBondContact O-N 2.82Å; S273-S276 PolarHBondContact O-OG 3.3Å; L274-S276 VanDerWaalsContact C-N 3.33Å; S276-I278 PolarHBondContact O-N 3.09Å; S276-I278 VanDerWaalsContact O-N 3.09Å; S276-I278 PolarHBondContact OG-N 3.06Å; S276-G279 PolarHBondContact O-N 2.95Å
277A98.3Very high98Very high0 Ų04.3 Ų4.30%04%0.035CC..G310 helixtrans-46.5-33.1164.900000113.6V124 L244 F262 E263 F264 G279 L280V124-A277 HydrophobicContact CG1-CB 4.13Å; L244-A277 WeakPolarHBondContact CD1-O 3.24Å; F262-A277 HydrophobicContact CB-CB 3.63Å; F262-A277 WeakPolarHBondContact O-CB 3.24Å; E263-A277 WeakPolarHBondContact O-CB 3.41Å; F264-A277 HydrophobicContact CD1-CB 4.26Å; A277-G279 PolarHBondContact O-N 2.84Å; A277-G279 VanDerWaalsContact O-N 3.08Å; A277-L280 VanDerWaalsContact O-CB 3.28Å; A277-L280 WeakPolarHBondContact O-CB 3.27Å; A277-L280 PolarHBondContact O-N 3.23Å
278I98.2Very high98.1Very high0 Ų03.9 Ų3.90%03%0.033CC..G310 helixtrans-53.5-27.8174.6-63.3-65.8000112.7P163 A207 L244 F264 S273 S276 L280P163-I278 HydrophobicContact CG-CG2 3.69Å; P163-I278 WeakPolarHBondContact CG-O 3.47Å; A207-I278 HydrophobicContact CB-CD1 4.1Å; L244-I278 HydrophobicContact CB-CD1 4Å; L244-I278 HydrophobicContact CD1-CD1 4.21Å; F264-I278 HydrophobicContact CE1-CD1 3.93Å; F264-I278 HydrophobicContact CE1-CG1 4.17Å; F264-I278 HydrophobicContact CZ-CD1 4Å; F264-I278 HydrophobicContact CZ-CG1 4.18Å; S273-I278 WeakPolarHBondContact O-CB 3.43Å; S273-I278 WeakPolarHBondContact OG-CG2 3.2Å; S276-I278 PolarHBondContact O-N 3.09Å; S276-I278 VanDerWaalsContact O-N 3.09Å; S276-I278 PolarHBondContact OG-N 3.06Å; I278-L280 PolarHBondContact O-N 3.33Å
279G98.7Very high98.2Very high0 Ų08.7 Ų8.70%06%0.059CC..G310 helixtrans-74.95.9174.500000115.5L274 S276 A277 S281 I282 A283L274-G279 WeakPolarHBondContact O-CA 3.48Å; L274-G279 PolarHBondContact O-N 3.38Å; S276-G279 PolarHBondContact O-N 2.95Å; A277-G279 PolarHBondContact O-N 2.84Å; A277-G279 VanDerWaalsContact O-N 3.08Å; G279-S281 VanDerWaalsContact C-N 3.33Å; G279-S281 PolarHBondContact O-N 3.23Å; G279-I282 WeakPolarHBondContact O-CA 3.24Å; G279-I282 VanDerWaalsContact O-CB 3.25Å; G279-I282 WeakPolarHBondContact O-CB 3.3Å; G279-I282 PolarHBondContact O-N 2.78Å; G279-A283 PolarHBondContact O-N 3.04Å
280L98.8Very high98.4Very high0 Ų09.2 Ų9.20%06%0.057CC..Hα-helixtrans-57.6-42.3-176-175.564.1000113M128 F131 V132 I205 V242 L244 F262 A277 I278 I282 A283 I284M128-L280 HydrophobicContact CB-CD1 4.17Å; M128-L280 HydrophobicContact CE-CB 4.39Å; M128-L280 HydrophobicContact CE-CD1 4.33Å; M128-L280 HydrophobicContact CG-CD1 4.1Å; F131-L280 HydrophobicContact CD1-CD1 4.07Å; F131-L280 HydrophobicContact CD1-CD2 4.15Å; F131-L280 HydrophobicContact CE1-CD2 4.15Å; V132-L280 HydrophobicContact CG2-CD1 3.9Å; I205-L280 HydrophobicContact CD1-CD2 4.18Å; I205-L280 HydrophobicContact CD1-CG 4.22Å; V242-L280 HydrophobicContact CG2-CD2 4.16Å; L244-L280 HydrophobicContact CD1-CB 4.29Å; L244-L280 HydrophobicContact CD2-CB 3.9Å; L244-L280 HydrophobicContact CD2-CD2 3.69Å; L244-L280 HydrophobicContact CD2-CG 4.44Å; F262-L280 HydrophobicContact CD2-CD2 3.76Å; F262-L280 HydrophobicContact CE1-CD1 4.44Å; F262-L280 HydrophobicContact CE1-CD2 4.44Å; F262-L280 HydrophobicContact CE2-CD2 3.65Å; F262-L280 HydrophobicContact CG-CD2 4.22Å; F262-L280 HydrophobicContact CZ-CD2 4.02Å; A277-L280 VanDerWaalsContact O-CB 3.28Å; A277-L280 WeakPolarHBondContact O-CB 3.27Å; A277-L280 PolarHBondContact O-N 3.23Å; I278-L280 PolarHBondContact O-N 3.33Å; L280-I282 VanDerWaalsContact C-N 3.3Å; L280-I282 PolarHBondContact O-N 3.02Å; L280-A283 PolarHBondContact O-N 3.01Å; L280-I284 HydrophobicContact CD1-CD1 4.41Å; L280-I284 HydrophobicContact CD1-CG1 4.42Å; L280-I284 HydrophobicContact CG-CD1 4Å; L280-I284 HydrophobicContact CG-CG1 4.43Å; L280-I284 WeakPolarHBondContact O-CG1 3.25Å; L280-I284 PolarHBondContact O-N 3.36Å
281S98.8Very high98.6Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-64.6-34.5176.6540000112.3P163 G279 Y285P163-S281 WeakPolarHBondContact CB-OG 3.32Å; G279-S281 VanDerWaalsContact C-N 3.33Å; G279-S281 PolarHBondContact O-N 3.23Å; S281-Y285 VanDerWaalsContact O-CB 3.3Å; S281-Y285 WeakPolarHBondContact O-CB 3.28Å; S281-Y285 PolarHBondContact O-N 3.06Å; S281-Y285 VanDerWaalsContact O-N 3.08Å
282I98.9Very high98.7Very high0 Ų09.9 Ų9.90%05%0.052CC..Hα-helixtrans-60.7-53.7171.2-53.8166.9000109.1P163 V166 T167 L274 G279 L280 I284 Y285 I286 F291 L294P163-I282 HydrophobicContact CB-CG1 4.33Å; V166-I282 HydrophobicContact CB-CD1 3.74Å; V166-I282 HydrophobicContact CB-CG1 4.08Å; V166-I282 HydrophobicContact CB-CG2 4.39Å; V166-I282 HydrophobicContact CG1-CB 4.48Å; V166-I282 HydrophobicContact CG1-CD1 3.87Å; V166-I282 HydrophobicContact CG1-CG1 4.13Å; V166-I282 HydrophobicContact CG1-CG2 3.53Å; V166-I282 HydrophobicContact CG2-CD1 4.11Å; T167-I282 HydrophobicContact CG2-CB 4.4Å; T167-I282 HydrophobicContact CG2-CG1 4.2Å; L274-I282 HydrophobicContact CB-CD1 4.31Å; L274-I282 HydrophobicContact CD1-CD1 4.44Å; G279-I282 WeakPolarHBondContact O-CA 3.24Å; G279-I282 VanDerWaalsContact O-CB 3.25Å; G279-I282 WeakPolarHBondContact O-CB 3.3Å; G279-I282 PolarHBondContact O-N 2.78Å; L280-I282 VanDerWaalsContact C-N 3.3Å; L280-I282 PolarHBondContact O-N 3.02Å; I282-I284 VanDerWaalsContact C-N 3.33Å; I282-I284 PolarHBondContact O-N 3.22Å; I282-Y285 WeakPolarHBondContact O-CB 3.45Å; I282-Y285 PolarHBondContact O-N 2.72Å; I282-I286 HydrophobicContact CG2-CD1 3.74Å; I282-I286 HydrophobicContact CG2-CG1 4.21Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 3.33Å; I282-F291 HydrophobicContact CB-CD2 4.12Å; I282-F291 HydrophobicContact CB-CE2 4.25Å; I282-F291 HydrophobicContact CD1-CE2 4.28Å; I282-F291 HydrophobicContact CG2-CD2 3.9Å; I282-F291 HydrophobicContact CG2-CE2 4.38Å; I282-L294 HydrophobicContact CG2-CD2 4.39Å
283A98.9Very high98.7Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-61.8-38.1-176.500000113M128 V132 G279 L280 Y285 G287 M288 F291M128-A283 HydrophobicContact CE-CB 4.35Å; V132-A283 WeakPolarHBondContact CG1-O 3.23Å; V132-A283 HydrophobicContact CG2-CB 3.73Å; G279-A283 PolarHBondContact O-N 3.04Å; L280-A283 PolarHBondContact O-N 3.01Å; A283-Y285 VanDerWaalsContact C-N 3.32Å; A283-G287 CarbonylContact O-C 3.51Å; A283-G287 VanDerWaalsContact O-C 3.24Å; A283-G287 WeakPolarHBondContact O-CA 3.41Å; A283-G287 PolarHBondContact O-N 3.48Å; A283-M288 HydrophobicContact CB-SD 3.57Å; A283-M288 VanDerWaalsContact CB-SD 3.57Å; A283-F291 HydrophobicContact CB-CB 3.97Å; A283-F291 HydrophobicContact CB-CD1 4.17Å; A283-F291 HydrophobicContact CB-CD2 4.23Å; A283-F291 HydrophobicContact CB-CG 3.86Å
284I98.8Very high98.7Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-65-38.4173.1-66.6168.5000111F131 V132 V135 I136 V151 G176 P177 L203 I205 L280 I282F131-I284 HydrophobicContact CD1-CD1 4.28Å; F131-I284 HydrophobicContact CE1-CD1 3.83Å; V132-I284 HydrophobicContact CG2-CG1 3.81Å; V135-I284 HydrophobicContact CG1-CG2 3.89Å; I136-I284 WeakPolarHBondContact CD1-O 3.32Å; V151-I284 HydrophobicContact CG1-CD1 4.49Å; V151-I284 HydrophobicContact CG2-CG2 3.9Å; G176-I284 WeakPolarHBondContact CA-O 3.35Å; P177-I284 HydrophobicContact CG-CG2 4.07Å; L203-I284 HydrophobicContact CD2-CD1 4.31Å; I205-I284 HydrophobicContact CD1-CD1 3.86Å; L280-I284 HydrophobicContact CD1-CD1 4.41Å; L280-I284 HydrophobicContact CD1-CG1 4.42Å; L280-I284 HydrophobicContact CG-CD1 4Å; L280-I284 HydrophobicContact CG-CG1 4.43Å; L280-I284 WeakPolarHBondContact O-CG1 3.25Å; L280-I284 PolarHBondContact O-N 3.36Å; I282-I284 VanDerWaalsContact C-N 3.33Å; I282-I284 PolarHBondContact O-N 3.22Å
285Y98.8Very high98.8Very high8 Ų814.6 Ų14.63%0.0317%0.072CC..Hα-helixtrans-69.8-48.2-177.2-172.3-119.8000113.1T167 Q174 I175 G176 P177 V179 S281 I282 A283T167-Y285 HydrophobicContact CG2-CD1 3.74Å; T167-Y285 HydrophobicContact CG2-CG 4.04Å; T167-Y285 VanDerWaalsContact O-CE1 3.27Å; T167-Y285 WeakPolarHBondContact O-CE1 3.19Å; Q174-Y285 WeakPolarHBondContact CA-O 3.41Å; Q174-Y285 HydrophobicContact CB-CD2 4.46Å; Q174-Y285 HydrophobicContact CB-CE1 4.03Å; Q174-Y285 HydrophobicContact CB-CE2 3.89Å; Q174-Y285 HydrophobicContact CG-CD2 3.81Å; Q174-Y285 HydrophobicContact CG-CE1 4.38Å; Q174-Y285 HydrophobicContact CG-CE2 3.36Å; Q174-Y285 HydrophobicContact CG-CG 4.48Å; Q174-Y285 VanDerWaalsContact OE1-CE2 3.24Å; Q174-Y285 PolarHBondContact OE1-OH 3.43Å; I175-Y285 PolarHBondContact N-O 2.79Å; G176-Y285 PolarHBondContact N-O 3.26Å; P177-Y285 WeakPolarHBondContact O-CD2 3.29Å; V179-Y285 HydrophobicContact CB-CD2 4.31Å; V179-Y285 HydrophobicContact CG1-CD2 3.87Å; V179-Y285 HydrophobicContact CG1-CG 4.15Å; V179-Y285 HydrophobicContact CG2-CD1 4.48Å; V179-Y285 HydrophobicContact CG2-CD2 3.59Å; V179-Y285 HydrophobicContact CG2-CE2 3.87Å; V179-Y285 HydrophobicContact CG2-CG 3.94Å; S281-Y285 VanDerWaalsContact O-CB 3.3Å; S281-Y285 WeakPolarHBondContact O-CB 3.28Å; S281-Y285 PolarHBondContact O-N 3.06Å; S281-Y285 VanDerWaalsContact O-N 3.08Å; I282-Y285 WeakPolarHBondContact O-CB 3.45Å; I282-Y285 PolarHBondContact O-N 2.72Å; A283-Y285 VanDerWaalsContact C-N 3.32Å
286I98.8Very high98.8Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-105.4-3.8-173.271.4-179000114.3L170 C173 I282 N290L170-I286 HydrophobicContact CB-CG2 4.05Å; L170-I286 HydrophobicContact CD1-CD1 3.59Å; C173-I286 HydrophobicContact CB-CB 4.26Å; C173-I286 HydrophobicContact CB-CG2 4.14Å; C173-I286 WeakPolarHBondContact O-CA 3.47Å; I282-I286 HydrophobicContact CG2-CD1 3.74Å; I282-I286 HydrophobicContact CG2-CG1 4.21Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 3.33Å; I286-N290 HydrophobicContact CB-CB 4.02Å; I286-N290 HydrophobicContact CD1-CB 3.74Å; I286-N290 HydrophobicContact CG1-CB 3.69Å; I286-N290 WeakPolarHBondContact O-CB 3.43Å; I286-N290 PolarHBondContact O-ND2 3.23Å
287G98.8Very high98.8Very high4 Ų416.6 Ų16.64%0.0418%0.084CC..  trans81.5153.6-171.600000113.6A283 D289 N290 F291A283-G287 CarbonylContact O-C 3.51Å; A283-G287 VanDerWaalsContact O-C 3.24Å; A283-G287 WeakPolarHBondContact O-CA 3.41Å; A283-G287 PolarHBondContact O-N 3.48Å; G287-D289 VanDerWaalsContact C-N 3.29Å; G287-D289 PolarHBondContact O-N 2.97Å; G287-N290 PolarHBondContact O-N 2.77Å; G287-F291 PolarHBondContact O-N 3.04Å
288M98.6Very high98.8Very high2 Ų216.6 Ų16.61%0.018%0.084CC..Hα-helixtrans-62.5-32.9-179.7-83.8-57-80.700114L125 M128 R129 V132 A283 N290 F291 E292L125-M288 WeakPolarHBondContact O-CE 3.38Å; M128-M288 HydrophobicContact CB-CE 4.1Å; M128-M288 HydrophobicContact CB-SD 4.19Å; R129-M288 HydrophobicContact CB-CE 3.92Å; R129-M288 HydrophobicContact CB-CG 3.8Å; R129-M288 HydrophobicContact CG-CB 4.31Å; R129-M288 HydrophobicContact CG-CG 4.03Å; V132-M288 HydrophobicContact CB-CG 3.9Å; V132-M288 HydrophobicContact CG1-CG 3.9Å; V132-M288 HydrophobicContact CG2-CG 4.14Å; V132-M288 HydrophobicContact CG2-SD 4.14Å; A283-M288 HydrophobicContact CB-SD 3.57Å; A283-M288 VanDerWaalsContact CB-SD 3.57Å; M288-N290 VanDerWaalsContact C-N 3.31Å; M288-N290 PolarHBondContact O-N 2.87Å; M288-F291 HydrophobicContact CE-CD1 4.27Å; M288-F291 CarbonylContact O-C 3.57Å; M288-F291 PolarHBondContact O-N 3.47Å; M288-F291 HydrophobicContact SD-CB 4.44Å; M288-F291 HydrophobicContact SD-CD1 4.06Å; M288-E292 WeakPolarHBondContact O-CB 3.46Å; M288-E292 WeakPolarHBondContact O-CG 3.39Å; M288-E292 PolarHBondContact O-N 2.76Å
289D98.7Very high98.9Very high101 Ų10117.4 Ų17.454%0.549%0.088SC..Hα-helixtrans-66.4-37.6-178.6-64.7-9.7000111.3R129 G287 K293R129-D289 IonicContact CZ-OD1 3.63Å; R129-D289 IonicContact NH1-OD1 3.18Å; R129-D289 PolarHBondContact NH1-OD1 2.73Å; R129-D289 IonicContact NH2-OD1 3.39Å; R129-D289 PolarHBondContact NH2-OD1 2.92Å; G287-D289 VanDerWaalsContact C-N 3.29Å; G287-D289 PolarHBondContact O-N 2.97Å; D289-K293 WeakPolarHBondContact O-CG 3.42Å; D289-K293 PolarHBondContact O-N 3.12Å; D289-K293 VanDerWaalsContact O-N 3.09Å
290N98.8Very high98.9Very high30 Ų3018.5 Ų18.516%0.1610%0.097CC..Hα-helixtrans-73.7-35.5172.7-73-34.4000111.6I286 G287 M288 E292 K293 L294 P482I286-N290 HydrophobicContact CB-CB 4.02Å; I286-N290 HydrophobicContact CD1-CB 3.74Å; I286-N290 HydrophobicContact CG1-CB 3.69Å; I286-N290 WeakPolarHBondContact O-CB 3.43Å; I286-N290 PolarHBondContact O-ND2 3.23Å; G287-N290 PolarHBondContact O-N 2.77Å; M288-N290 VanDerWaalsContact C-N 3.31Å; M288-N290 PolarHBondContact O-N 2.87Å; N290-E292 VanDerWaalsContact C-N 3.34Å; N290-E292 PolarHBondContact O-N 2.83Å; N290-K293 WeakPolarHBondContact O-CB 3.39Å; N290-K293 PolarHBondContact O-N 3.29Å; N290-K293 PolarHBondContact OD1-NZ 3.05Å; N290-L294 PolarHBondContact O-N 3.16Å; N290-P482 HydrophobicContact CB-CB 4.39Å; N290-P482 HydrophobicContact CB-CG 3.83Å; N290-P482 WeakPolarHBondContact O-CB 3.42Å
291F98.9Very high98.9Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-61.6-41.2172.1-172.2-110.9000111.9L125 M128 I282 A283 G287 M288 K293 L294 L295L125-F291 HydrophobicContact CD2-CE1 4.04Å; M128-F291 HydrophobicContact CE-CD1 4.36Å; M128-F291 HydrophobicContact CE-CE1 3.72Å; M128-F291 HydrophobicContact CE-CZ 4.08Å; I282-F291 HydrophobicContact CB-CD2 4.12Å; I282-F291 HydrophobicContact CB-CE2 4.25Å; I282-F291 HydrophobicContact CD1-CE2 4.28Å; I282-F291 HydrophobicContact CG2-CD2 3.9Å; I282-F291 HydrophobicContact CG2-CE2 4.38Å; A283-F291 HydrophobicContact CB-CB 3.97Å; A283-F291 HydrophobicContact CB-CD1 4.17Å; A283-F291 HydrophobicContact CB-CD2 4.23Å; A283-F291 HydrophobicContact CB-CG 3.86Å; G287-F291 PolarHBondContact O-N 3.04Å; M288-F291 HydrophobicContact CE-CD1 4.27Å; M288-F291 CarbonylContact O-C 3.57Å; M288-F291 PolarHBondContact O-N 3.47Å; M288-F291 HydrophobicContact SD-CB 4.44Å; M288-F291 HydrophobicContact SD-CD1 4.06Å; F291-K293 PolarHBondContact O-N 2.92Å; F291-L294 HydrophobicContact CD2-CD2 4.08Å; F291-L294 HydrophobicContact CE2-CD2 4.21Å; F291-L294 VanDerWaalsContact O-CB 3.28Å; F291-L294 WeakPolarHBondContact O-CB 3.49Å; F291-L294 PolarHBondContact O-N 3.16Å; F291-L294 VanDerWaalsContact O-N 3.16Å; F291-L295 HydrophobicContact CD1-CD1 4.32Å; F291-L295 HydrophobicContact CD1-CG 4.46Å; F291-L295 HydrophobicContact CE1-CD1 4.05Å; F291-L295 HydrophobicContact CE1-CD2 4.26Å; F291-L295 HydrophobicContact CE1-CG 4.27Å; F291-L295 HydrophobicContact CZ-CD2 4.18Å; F291-L295 WeakPolarHBondContact O-CG 3.49Å; F291-L295 PolarHBondContact O-N 3.28Å
292E98.9Very high98.9Very high49 Ų4918.6 Ų18.623%0.22910%0.097CC..Hα-helixtrans-68.2-33.6175.5-75.2178.6-172.900112.7R105 R129 M288 N290 L294 L295 T296R105-E292 IonicContact NH2-OE2 2.63Å; R129-E292 IonicContact CZ-OE1 3.89Å; R129-E292 IonicContact NE-OE1 3.44Å; R129-E292 PolarHBondContact NE-OE1 2.95Å; R129-E292 IonicContact NH2-OE1 3.84Å; R129-E292 PolarHBondContact NH2-OE1 2.81Å; R129-E292 IonicContact NH2-OE2 2.69Å; R129-E292 PolarHBondContact NH2-OE2 3.36Å; M288-E292 WeakPolarHBondContact O-CB 3.46Å; M288-E292 WeakPolarHBondContact O-CG 3.39Å; M288-E292 PolarHBondContact O-N 2.76Å; N290-E292 VanDerWaalsContact C-N 3.34Å; N290-E292 PolarHBondContact O-N 2.83Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L295 PolarHBondContact O-N 3.49Å; E292-T296 WeakPolarHBondContact O-CB 3.49Å; E292-T296 PolarHBondContact O-N 2.96Å; E292-T296 PolarHBondContact O-OG1 3.49Å
293K98.9Very high98.9Very high107 Ų10721.2 Ų21.247%0.46511%0.11SC..Hα-helixtrans-62.1-40.9169.5-72.9171.4-168.5169.40111.4D289 N290 F291 T296 G297 P482 Y483D289-K293 WeakPolarHBondContact O-CG 3.42Å; D289-K293 PolarHBondContact O-N 3.12Å; D289-K293 VanDerWaalsContact O-N 3.09Å; N290-K293 WeakPolarHBondContact O-CB 3.39Å; N290-K293 PolarHBondContact O-N 3.29Å; N290-K293 PolarHBondContact OD1-NZ 3.05Å; F291-K293 PolarHBondContact O-N 2.92Å; K293-T296 PolarHBondContact O-N 3.32Å; K293-G297 PolarHBondContact O-N 3.46Å; K293-P482 HydrophobicContact CB-CB 3.99Å; K293-Y483 WeakPolarHBondContact O-CA 3.32Å
294L99Very high98.9Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-58.6-48.8173174.775000111.7V166 L274 W275 I282 N290 F291 E292 T296 G297 A298 P482 L485 G486V166-L294 HydrophobicContact CG1-CD2 3.8Å; L274-L294 HydrophobicContact CD1-CD2 4.37Å; W275-L294 HydrophobicContact CZ3-CD1 4.14Å; W275-L294 HydrophobicContact CZ3-CD2 4.45Å; W275-L294 HydrophobicContact CZ3-CG 3.92Å; I282-L294 HydrophobicContact CG2-CD2 4.39Å; N290-L294 PolarHBondContact O-N 3.16Å; F291-L294 HydrophobicContact CD2-CD2 4.08Å; F291-L294 HydrophobicContact CE2-CD2 4.21Å; F291-L294 VanDerWaalsContact O-CB 3.28Å; F291-L294 WeakPolarHBondContact O-CB 3.49Å; F291-L294 PolarHBondContact O-N 3.16Å; F291-L294 VanDerWaalsContact O-N 3.16Å; E292-L294 VanDerWaalsContact C-N 3.33Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.29Å; L294-G297 PolarHBondContact O-N 3.34Å; L294-A298 PolarHBondContact O-N 3.09Å; L294-P482 VanDerWaalsContact CA-O 3.25Å; L294-P482 WeakPolarHBondContact CA-O 3.24Å; L294-P482 HydrophobicContact CB-CB 4.12Å; L294-P482 VanDerWaalsContact CD1-O 3.31Å; L294-P482 WeakPolarHBondContact CD1-O 3.46Å; L294-L485 HydrophobicContact CD1-CB 4.32Å; L294-L485 HydrophobicContact CD1-CD2 4.37Å; L294-L485 HydrophobicContact CD1-CG 4.26Å; L294-G486 WeakPolarHBondContact O-CA 3.38Å
295L99Very high98.9Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-59.1-42.3173.7-59.1-175.8000111.5R103 L125 W275 F291 E292 A298 H299R103-L295 HydrophobicContact CB-CB 3.99Å; R103-L295 HydrophobicContact CB-CD2 4.14Å; L125-L295 HydrophobicContact CD1-CD1 4.11Å; L125-L295 HydrophobicContact CD2-CD1 3.9Å; W275-L295 HydrophobicContact CB-CD2 4Å; W275-L295 HydrophobicContact CE3-CD2 3.94Å; F291-L295 HydrophobicContact CD1-CD1 4.32Å; F291-L295 HydrophobicContact CD1-CG 4.46Å; F291-L295 HydrophobicContact CE1-CD1 4.05Å; F291-L295 HydrophobicContact CE1-CD2 4.26Å; F291-L295 HydrophobicContact CE1-CG 4.27Å; F291-L295 HydrophobicContact CZ-CD2 4.18Å; F291-L295 WeakPolarHBondContact O-CG 3.49Å; F291-L295 PolarHBondContact O-N 3.28Å; E292-L295 PolarHBondContact O-N 3.49Å; L295-A298 PolarHBondContact O-N 3.37Å; L295-H299 WeakPolarHBondContact O-CB 3.22Å; L295-H299 PolarHBondContact O-N 3.42Å
296T98.9Very high98.9Very high48 Ų4825.4 Ų25.429%0.29413%0.128SC..Hα-helixtrans-67.3-38.5-176.8-55.40000112.4R105 E292 K293 L294 H299 A300 Y483R105-T296 HydrophobicContact CG-CG2 4.34Å; E292-T296 WeakPolarHBondContact O-CB 3.49Å; E292-T296 PolarHBondContact O-N 2.96Å; E292-T296 PolarHBondContact O-OG1 3.49Å; K293-T296 PolarHBondContact O-N 3.32Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.29Å; T296-H299 WeakPolarHBondContact O-CB 3.06Å; T296-H299 PolarHBondContact O-N 3.48Å; T296-A300 PolarHBondContact O-N 3Å; T296-Y483 HydrophobicContact CG2-CD2 4.24Å; T296-Y483 HydrophobicContact CG2-CE2 3.87Å
297G98.9Very high98.9Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-64.8-43.2174.800000112.6K293 L294 H299 A300 M301 Y483 A487K293-G297 PolarHBondContact O-N 3.46Å; L294-G297 PolarHBondContact O-N 3.34Å; G297-H299 VanDerWaalsContact C-N 3.33Å; G297-H299 PolarHBondContact O-N 3.46Å; G297-A300 PolarHBondContact O-N 3.5Å; G297-M301 PolarHBondContact O-N 2.83Å; G297-Y483 VanDerWaalsContact CA-O 3.32Å; G297-Y483 WeakPolarHBondContact CA-O 3.4Å; G297-A487 WeakPolarHBondContact O-CA 3.3Å; G297-A487 WeakPolarHBondContact O-CB 3.38Å
298A99Very high98.9Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-62.6-40.8174.700000112R103 W275 L294 L295 A300 M301 D302 G486 A490R103-A298 VanDerWaalsContact CD-CB 3.49Å; R103-A298 HydrophobicContact CG-CB 4.29Å; W275-A298 HydrophobicContact CE3-CB 4.18Å; W275-A298 HydrophobicContact CH2-CB 3.69Å; W275-A298 HydrophobicContact CZ2-CB 4.39Å; W275-A298 HydrophobicContact CZ3-CB 3.57Å; L294-A298 PolarHBondContact O-N 3.09Å; L295-A298 PolarHBondContact O-N 3.37Å; A298-A300 VanDerWaalsContact C-N 3.35Å; A298-A300 PolarHBondContact O-N 2.88Å; A298-M301 PolarHBondContact O-N 2.91Å; A298-D302 VanDerWaalsContact O-CG 3.26Å; A298-D302 PolarHBondContact O-N 2.88Å; A298-G486 WeakPolarHBondContact CA-O 3.44Å; A298-G486 WeakPolarHBondContact CB-O 3.47Å; A298-A490 HydrophobicContact CB-CB 3.93Å
299H98.9Very high98.8Very high16 Ų1635.4 Ų35.47%0.07419%0.187CC..Hα-helixtrans-60.5-40.8173.5-170.954.6000113.5R103 N104 R105 L295 T296 G297 M301 D302 Q303R103-H299 WeakPolarHBondContact O-CB 3.47Å; R103-H299 VanDerWaalsContact O-CG 3.29Å; R103-H299 PolarHBondContact O-ND1 2.85Å; N104-H299 PolarHBondContact OD1-CE1 3.15Å; N104-H299 VanDerWaalsContact OD1-CE1 3.3Å; R105-H299 HydrophobicContact CG-CB 3.87Å; R105-H299 PolarHBondContact N-CE1 3.43Å; L295-H299 WeakPolarHBondContact O-CB 3.22Å; L295-H299 PolarHBondContact O-N 3.42Å; T296-H299 WeakPolarHBondContact O-CB 3.06Å; T296-H299 PolarHBondContact O-N 3.48Å; G297-H299 VanDerWaalsContact C-N 3.33Å; G297-H299 PolarHBondContact O-N 3.46Å; H299-M301 VanDerWaalsContact C-N 3.28Å; H299-M301 PolarHBondContact O-N 3.22Å; H299-D302 VanDerWaalsContact O-CB 3.32Å; H299-D302 WeakPolarHBondContact O-CB 3.48Å; H299-D302 PolarHBondContact O-N 3.34Å; H299-D302 VanDerWaalsContact O-N 3.15Å; H299-Q303 PolarHBondContact CE1-NE2 2.96Å; H299-Q303 WeakPolarHBondContact O-CG 3.2Å; H299-Q303 PolarHBondContact O-N 3.09Å
300A98.9Very high98.8Very high23 Ų2331.3 Ų31.319%0.1916%0.164CC..Hα-helixtrans-63.4-38.3177.700000111.3F43 T296 G297 A298 Q303 H304 Y483F43-A300 HydrophobicContact CZ-CB 3.8Å; T296-A300 PolarHBondContact O-N 3Å; G297-A300 PolarHBondContact O-N 3.5Å; A298-A300 VanDerWaalsContact C-N 3.35Å; A298-A300 PolarHBondContact O-N 2.88Å; A300-Q303 PolarHBondContact O-N 2.97Å; A300-H304 PolarHBondContact O-N 2.77Å; A300-Y483 WeakPolarHBondContact CB-OH 3.21Å
301M98.9Very high98.8Very high1 Ų134.1 Ų34.11%0.00518%0.176CC..Hα-helixtrans-69.1-34.1172.7-17357.46300112.3F43 G297 A298 H299 Q303 H304 F305 P315 A487 A490 M491F43-M301 HydrophobicContact CB-CE 4.48Å; F43-M301 HydrophobicContact CD1-CE 3.88Å; F43-M301 HydrophobicContact CD2-CE 3.65Å; F43-M301 HydrophobicContact CD2-SD 4.44Å; F43-M301 HydrophobicContact CE1-CE 3.94Å; F43-M301 HydrophobicContact CE2-CE 3.72Å; F43-M301 HydrophobicContact CE2-SD 4.3Å; F43-M301 HydrophobicContact CG-CE 3.73Å; F43-M301 HydrophobicContact CZ-CB 4.33Å; F43-M301 HydrophobicContact CZ-CE 3.86Å; G297-M301 PolarHBondContact O-N 2.83Å; A298-M301 PolarHBondContact O-N 2.91Å; H299-M301 VanDerWaalsContact C-N 3.28Å; H299-M301 PolarHBondContact O-N 3.22Å; M301-Q303 VanDerWaalsContact C-N 3.34Å; M301-H304 PolarHBondContact O-N 3.36Å; M301-H304 HydrophobicContact SD-CB 4.38Å; M301-F305 WeakPolarHBondContact O-CB 3.44Å; M301-F305 PolarHBondContact O-N 2.91Å; M301-P315 HydrophobicContact SD-CG 4.11Å; M301-A487 HydrophobicContact CB-CB 4.4Å; M301-A487 HydrophobicContact CE-CB 4.44Å; M301-A490 HydrophobicContact CB-CB 3.85Å; M301-A490 HydrophobicContact CG-CB 3.99Å; M301-M491 HydrophobicContact CE-CB 4.05Å; M301-M491 HydrophobicContact CE-CG 4.41Å; M301-M491 HydrophobicContact CG-CB 4.01Å; M301-M491 HydrophobicContact SD-CB 4.04Å; M301-M491 HydrophobicContact SD-CG 4.36Å
302D98.9Very high98.8Very high1 Ų142.2 Ų42.21%0.00521%0.207CC..Hα-helixtrans-59.7-45170.7-62.1-26.5000111.3F84 R103 A298 H299 F305 K306 H494F84-D302 HydrophobicContact CE1-CB 3.97Å; F84-D302 HydrophobicContact CZ-CB 3.96Å; F84-D302 WeakPolarHBondContact CZ-O 3.32Å; R103-D302 WeakPolarHBondContact CG-OD2 3.37Å; R103-D302 IonicContact CZ-OD1 2.73Å; R103-D302 IonicContact CZ-OD2 2.79Å; R103-D302 IonicContact NE-OD1 2.88Å; R103-D302 PolarHBondContact NE-OD1 3.18Å; R103-D302 IonicContact NE-OD2 3.86Å; R103-D302 PolarHBondContact NE-OD2 2.63Å; R103-D302 IonicContact NH2-OD1 2.81Å; R103-D302 PolarHBondContact NH2-OD1 3.16Å; R103-D302 IonicContact NH2-OD2 2.92Å; A298-D302 VanDerWaalsContact O-CG 3.26Å; A298-D302 PolarHBondContact O-N 2.88Å; H299-D302 VanDerWaalsContact O-CB 3.32Å; H299-D302 WeakPolarHBondContact O-CB 3.48Å; H299-D302 PolarHBondContact O-N 3.34Å; H299-D302 VanDerWaalsContact O-N 3.15Å; D302-F305 PolarHBondContact O-N 2.9Å; D302-K306 WeakPolarHBondContact O-CB 3.42Å; D302-K306 PolarHBondContact O-N 3.37Å; D302-H494 IonicContact OD1-CD2 3.31Å; D302-H494 IonicContact OD1-CE1 2.69Å; D302-H494 PolarHBondContact OD1-CE1 3.29Å; D302-H494 IonicContact OD1-NE2 2.77Å; D302-H494 PolarHBondContact OD1-NE2 3.11Å
303Q98.8Very high98.8Very high56 Ų5639.9 Ų39.926%0.26220%0.196SC..Hα-helixtrans-66-38.8177.7-65.7-51.7-46.700112.1H299 A300 M301 K306 N307H299-Q303 PolarHBondContact CE1-NE2 2.96Å; H299-Q303 WeakPolarHBondContact O-CG 3.2Å; H299-Q303 PolarHBondContact O-N 3.09Å; A300-Q303 PolarHBondContact O-N 2.97Å; M301-Q303 VanDerWaalsContact C-N 3.34Å; Q303-K306 PolarHBondContact O-N 2.82Å; Q303-N307 VanDerWaalsContact O-CB 3.31Å; Q303-N307 WeakPolarHBondContact O-CB 3.42Å; Q303-N307 PolarHBondContact O-N 3.42Å; Q303-N307 PolarHBondContact O-ND2 2.99Å; Q303-N307 PolarHBondContact OE1-ND2 2.93Å; Q303-N307 VanDerWaalsContact OE1-ND2 3.09Å
304H98.9Very high98.8Very high29 Ų2934.8 Ų34.813%0.13417%0.174CC..Hα-helixtrans-61.8-47.8172.4176.772.5000111.5F43 A300 M301 K306 N307 T308 I314F43-H304 HydrophobicContact CD2-CB 4.17Å; F43-H304 HydrophobicContact CE2-CB 3.78Å; A300-H304 PolarHBondContact O-N 2.77Å; M301-H304 PolarHBondContact O-N 3.36Å; M301-H304 HydrophobicContact SD-CB 4.38Å; H304-K306 VanDerWaalsContact C-N 3.32Å; H304-K306 PolarHBondContact O-N 3.18Å; H304-N307 PolarHBondContact O-N 3.26Å; H304-T308 PolarHBondContact CE1-OG1 3.27Å; H304-T308 PolarHBondContact ND1-OG1 3.21Å; H304-T308 WeakPolarHBondContact O-CB 3.37Å; H304-T308 PolarHBondContact O-N 3.23Å; H304-T308 PolarHBondContact O-OG1 2.83Å; H304-I314 WeakPolarHBondContact NE2-CD1 3.3Å; H304-I314 WeakPolarHBondContact NE2-CG1 3.33Å; H304-I314 PolarHBondContact NE2-N 3.07Å; H304-I314 VanDerWaalsContact NE2-N 3.16Å
305F98.9Very high98.8Very high0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-61.1-41.1178.9177.5-129.2000112.3R80 M83 F84 M301 D302 N313 P315 V316 H494 F497 V498R80-F305 HydrophobicContact CB-CE1 4.15Å; R80-F305 HydrophobicContact CB-CZ 4.02Å; R80-F305 WeakPolarHBondContact CD-O 3.42Å; R80-F305 HydrophobicContact CG-CD1 4.06Å; R80-F305 HydrophobicContact CG-CE1 3.5Å; R80-F305 VanDerWaalsContact CG-CE1 3.5Å; R80-F305 HydrophobicContact CG-CZ 3.73Å; R80-F305 PolarHBondContact NH1-O 3.35Å; M83-F305 HydrophobicContact CE-CE1 4.17Å; F84-F305 AromaticContact CE2-CD1 3.82Å; F84-F305 HydrophobicContact CE2-CD1 3.82Å; F84-F305 HydrophobicContact CE2-CE1 4.14Å; F84-F305 HydrophobicContact CZ-CD1 4.22Å; M301-F305 WeakPolarHBondContact O-CB 3.44Å; M301-F305 PolarHBondContact O-N 2.91Å; D302-F305 PolarHBondContact O-N 2.9Å; F305-N313 PolarHBondContact O-ND2 3.29Å; F305-P315 HydrophobicContact CB-CG 4.33Å; F305-P315 HydrophobicContact CD2-CB 4.1Å; F305-P315 HydrophobicContact CD2-CG 4.26Å; F305-V316 HydrophobicContact CD2-CG2 4.29Å; F305-V316 HydrophobicContact CE2-CG2 3.87Å; F305-H494 HydrophobicContact CB-CB 4.44Å; F305-H494 HydrophobicContact CD1-CB 3.85Å; F305-H494 AromaticContact CD1-CD2 3.76Å; F305-H494 AromaticContact CD1-CE1 3.73Å; F305-H494 AromaticContact CD1-CG 3.34Å; F305-H494 AromaticContact CD1-ND1 3.31Å; F305-H494 VanDerWaalsContact CD1-ND1 3.31Å; F305-H494 WeakPolarHBondContact CD1-ND1 3.3Å; F305-H494 AromaticContact CD1-NE2 3.97Å; F305-H494 HydrophobicContact CD2-CB 4.13Å; F305-H494 HydrophobicContact CE1-CB 4.09Å; F305-H494 AromaticContact CE1-CG 3.86Å; F305-H494 AromaticContact CE1-ND1 3.57Å; F305-H494 HydrophobicContact CE2-CB 4.4Å; F305-H494 HydrophobicContact CG-CB 3.88Å; F305-H494 AromaticContact CG-CD2 3.9Å; F305-H494 AromaticContact CG-CG 3.68Å; F305-H494 HydrophobicContact CZ-CB 4.39Å; F305-F497 AromaticContact CE1-CD1 3.89Å; F305-F497 HydrophobicContact CE1-CD1 3.89Å; F305-F497 HydrophobicContact CE1-CE1 4.13Å; F305-F497 AromaticContact CZ-CD1 3.58Å; F305-F497 HydrophobicContact CZ-CD1 3.58Å; F305-F497 AromaticContact CZ-CE1 3.78Å; F305-F497 HydrophobicContact CZ-CE1 3.78Å; F305-V498 HydrophobicContact CE2-CG2 3.68Å; F305-V498 HydrophobicContact CZ-CG2 3.89Å
306K98.7Very high98.8Very high66 Ų6634.8 Ų34.829%0.28717%0.174SC..Hα-helixtrans-68-45.1178.5-169179.4-177.7177.40113.2R80 F84 D302 Q303 H304R80-K306 PolarHBondContact NH1-O 3.42Å; F84-K306 HydrophobicContact CD1-CD 3.76Å; F84-K306 HydrophobicContact CD1-CG 4.41Å; F84-K306 HydrophobicContact CE1-CB 4.08Å; F84-K306 HydrophobicContact CE1-CD 4.05Å; F84-K306 HydrophobicContact CE1-CG 4.45Å; F84-K306 HydrophobicContact CG-CD 4.22Å; F84-K306 HydrophobicContact CZ-CB 4.08Å; D302-K306 WeakPolarHBondContact O-CB 3.42Å; D302-K306 PolarHBondContact O-N 3.37Å; Q303-K306 PolarHBondContact O-N 2.82Å; H304-K306 VanDerWaalsContact C-N 3.32Å; H304-K306 PolarHBondContact O-N 3.18Å
307N98.6Very high98.8Very high105 Ų10532.6 Ų32.656%0.56116%0.161SC*.Hα-helixtrans-105.5-12-163.4-56-50.9000114.3Q303 H304Q303-N307 VanDerWaalsContact O-CB 3.31Å; Q303-N307 WeakPolarHBondContact O-CB 3.42Å; Q303-N307 PolarHBondContact O-N 3.42Å; Q303-N307 PolarHBondContact O-ND2 2.99Å; Q303-N307 PolarHBondContact OE1-ND2 2.93Å; Q303-N307 VanDerWaalsContact OE1-ND2 3.09Å; H304-N307 PolarHBondContact O-N 3.26Å
308T98.8Very high98.8Very high29 Ų2932.9 Ų32.918%0.17816%0.162CC..SBendtrans-90.9131.8-176.7-57.90000112H304 R312 N313H304-T308 PolarHBondContact CE1-OG1 3.27Å; H304-T308 PolarHBondContact ND1-OG1 3.21Å; H304-T308 WeakPolarHBondContact O-CB 3.37Å; H304-T308 PolarHBondContact O-N 3.23Å; H304-T308 PolarHBondContact O-OG1 2.83Å; T308-R312 HydrophobicContact CG2-CB 3.79Å; T308-R312 WeakPolarHBondContact CG2-O 3.49Å; T308-N313 HydrophobicContact CG2-CB 4.26Å; T308-N313 PolarHBondContact O-ND2 2.87Å
309P98.6Very high98.8Very high83 Ų8332.9 Ų32.954%0.53916%0.162SC..  trans-55.5146172.6-24.633.7000112.5E311 R312 N313P309-E311 WeakPolarHBondContact CB-OE2 3.47Å; P309-E311 PolarHBondContact O-N 3.5Å; P309-E311 VanDerWaalsContact O-N 3.09Å; P309-R312 CarbonylContact O-C 3.4Å; P309-R312 PolarHBondContact O-N 2.97Å; P309-N313 WeakPolarHBondContact O-CB 3.33Å; P309-N313 PolarHBondContact O-N 2.85Å
310F98.7Very high98.8Very high14 Ų1432.1 Ų32.16%0.06116%0.158CC..G310 helixtrans-55.4-33.2-172.8-72.1-6000114.1I68 A71 K72 V76 D77 R312 N313 V316I68-F310 HydrophobicContact CG1-CB 4.47Å; I68-F310 HydrophobicContact CG2-CB 3.97Å; I68-F310 HydrophobicContact CG2-CD2 4.43Å; A71-F310 HydrophobicContact CB-CD2 3.94Å; A71-F310 HydrophobicContact CB-CE2 3.89Å; K72-F310 HydrophobicContact CG-CD2 3.96Å; K72-F310 HydrophobicContact CG-CE2 4.02Å; V76-F310 HydrophobicContact CB-CE2 4.18Å; V76-F310 HydrophobicContact CB-CZ 3.84Å; V76-F310 HydrophobicContact CG1-CE1 4.31Å; V76-F310 HydrophobicContact CG1-CE2 4.48Å; V76-F310 HydrophobicContact CG1-CZ 3.81Å; D77-F310 HydrophobicContact CB-CE1 4.4Å; D77-F310 HydrophobicContact CB-CZ 3.77Å; F310-R312 PolarHBondContact O-N 3.41Å; F310-R312 VanDerWaalsContact O-N 3.13Å; F310-N313 PolarHBondContact O-N 3.21Å; F310-V316 HydrophobicContact CB-CG1 4.08Å; F310-V316 HydrophobicContact CD1-CB 4.49Å; F310-V316 HydrophobicContact CD1-CG1 4.16Å; F310-V316 HydrophobicContact CD1-CG2 3.9Å; F310-V316 HydrophobicContact CD2-CG1 4.48Å; F310-V316 HydrophobicContact CE1-CG2 4.1Å; F310-V316 HydrophobicContact CG-CG1 4Å
311E98Very high98.8Very high90 Ų9031.3 Ų31.342%0.42115%0.151SC..G310 helixtrans-60.8-20.2177.5-58.770.8-164.900113.3I68 K72 P309I68-E311 HydrophobicContact CD1-CB 4.13Å; I68-E311 HydrophobicContact CD1-CG 3.78Å; K72-E311 IonicContact NZ-OE1 3.46Å; K72-E311 PolarHBondContact NZ-OE1 2.86Å; P309-E311 WeakPolarHBondContact CB-OE2 3.47Å; P309-E311 PolarHBondContact O-N 3.5Å; P309-E311 VanDerWaalsContact O-N 3.09Å
312R98.4Very high98.8Very high169 Ų16931.4 Ų31.464%0.63815%0.152SC*.G310 helixtrans-127.64.4-179.9-61.2-175.9-175.8178.80.5112.9Q41 T308 P309 F310 I314Q41-R312 PolarHBondContact OE1-O 2.94Å; T308-R312 HydrophobicContact CG2-CB 3.79Å; T308-R312 WeakPolarHBondContact CG2-O 3.49Å; P309-R312 CarbonylContact O-C 3.4Å; P309-R312 PolarHBondContact O-N 2.97Å; F310-R312 PolarHBondContact O-N 3.41Å; F310-R312 VanDerWaalsContact O-N 3.13Å; R312-I314 PolarHBondContact O-N 3.27Å
313N98.9Very high98.8Very high0 Ų031.3 Ų31.30%015%0.152CC..  trans-87112.2-173.6-169.9-45.4000109.6F305 T308 P309 F310 P315 V316 I317F305-N313 PolarHBondContact O-ND2 3.29Å; T308-N313 HydrophobicContact CG2-CB 4.26Å; T308-N313 PolarHBondContact O-ND2 2.87Å; P309-N313 WeakPolarHBondContact O-CB 3.33Å; P309-N313 PolarHBondContact O-N 2.85Å; F310-N313 PolarHBondContact O-N 3.21Å; N313-P315 WeakPolarHBondContact OD1-CD 3.48Å; N313-V316 HydrophobicContact CB-CB 3.97Å; N313-V316 HydrophobicContact CB-CG2 3.94Å; N313-V316 PolarHBondContact O-N 3.13Å; N313-V316 WeakPolarHBondContact OD1-CG2 3.41Å; N313-I317 VanDerWaalsContact O-CG1 3.3Å; N313-I317 WeakPolarHBondContact O-CG1 3.42Å; N313-I317 PolarHBondContact O-N 3.32Å
314I98.9Very high98.8Very high1 Ų128.7 Ų28.71%0.00514%0.139CC..Hα-helixtrans-61.6-54.6-167.9-68.5159.1000111.6Q41 F43 I52 H304 R312 V316 I317 L318 M491Q41-I314 HydrophobicContact CB-CD1 4.02Å; Q41-I314 HydrophobicContact CB-CG1 3.56Å; Q41-I314 HydrophobicContact CG-CG1 3.91Å; F43-I314 HydrophobicContact CB-CD1 3.68Å; F43-I314 HydrophobicContact CD2-CD1 4.46Å; F43-I314 HydrophobicContact CG-CD1 4.46Å; I52-I314 HydrophobicContact CB-CG2 4.45Å; I52-I314 HydrophobicContact CD1-CD1 3.57Å; I52-I314 HydrophobicContact CD1-CG1 4.09Å; I52-I314 HydrophobicContact CD1-CG2 3.96Å; I52-I314 HydrophobicContact CG1-CG2 3.79Å; I52-I314 HydrophobicContact CG2-CG2 4.43Å; H304-I314 WeakPolarHBondContact NE2-CD1 3.3Å; H304-I314 WeakPolarHBondContact NE2-CG1 3.33Å; H304-I314 PolarHBondContact NE2-N 3.07Å; H304-I314 VanDerWaalsContact NE2-N 3.16Å; R312-I314 PolarHBondContact O-N 3.27Å; I314-V316 VanDerWaalsContact C-N 3.27Å; I314-V316 PolarHBondContact O-N 3.31Å; I314-I317 PolarHBondContact O-N 3.34Å; I314-L318 HydrophobicContact CG2-CD1 4.05Å; I314-L318 HydrophobicContact CG2-CG 4.47Å; I314-L318 WeakPolarHBondContact O-CG 3.25Å; I314-L318 PolarHBondContact O-N 3.29Å; I314-M491 HydrophobicContact CG2-CG 3.81Å; I314-M491 HydrophobicContact CG2-SD 3.44Å; I314-M491 WeakPolarHBondContact CG2-SD 3.18Å
315P99Very high98.8Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-55-39.9174.7-27.832.8000114.1M301 F305 N313 A319 M491 H494M301-P315 HydrophobicContact SD-CG 4.11Å; F305-P315 HydrophobicContact CB-CG 4.33Å; F305-P315 HydrophobicContact CD2-CB 4.1Å; F305-P315 HydrophobicContact CD2-CG 4.26Å; N313-P315 WeakPolarHBondContact OD1-CD 3.48Å; P315-A319 VanDerWaalsContact O-CB 3.25Å; P315-A319 WeakPolarHBondContact O-CB 3.24Å; P315-A319 PolarHBondContact O-N 3.5Å; P315-M491 HydrophobicContact CG-CG 4.33Å; P315-H494 HydrophobicContact CB-CB 3.48Å; P315-H494 VanDerWaalsContact CB-CB 3.48Å; P315-H494 HydrophobicContact CG-CB 3.72Å
316V98.9Very high98.8Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-66.7-46.2179.5176.70000110.9F305 F310 N313 I314 L318 A319 L320 V498F305-V316 HydrophobicContact CD2-CG2 4.29Å; F305-V316 HydrophobicContact CE2-CG2 3.87Å; F310-V316 HydrophobicContact CB-CG1 4.08Å; F310-V316 HydrophobicContact CD1-CB 4.49Å; F310-V316 HydrophobicContact CD1-CG1 4.16Å; F310-V316 HydrophobicContact CD1-CG2 3.9Å; F310-V316 HydrophobicContact CD2-CG1 4.48Å; F310-V316 HydrophobicContact CE1-CG2 4.1Å; F310-V316 HydrophobicContact CG-CG1 4Å; N313-V316 HydrophobicContact CB-CB 3.97Å; N313-V316 HydrophobicContact CB-CG2 3.94Å; N313-V316 PolarHBondContact O-N 3.13Å; N313-V316 WeakPolarHBondContact OD1-CG2 3.41Å; I314-V316 VanDerWaalsContact C-N 3.27Å; I314-V316 PolarHBondContact O-N 3.31Å; V316-L318 PolarHBondContact O-N 2.92Å; V316-A319 WeakPolarHBondContact O-CB 3.42Å; V316-A319 PolarHBondContact O-N 3.19Å; V316-L320 HydrophobicContact CG1-CD1 3.81Å; V316-L320 HydrophobicContact CG1-CG 4.23Å; V316-L320 WeakPolarHBondContact O-CB 3.11Å; V316-L320 VanDerWaalsContact O-CG 3.24Å; V316-L320 WeakPolarHBondContact O-CG 3.25Å; V316-L320 PolarHBondContact O-N 3.37Å; V316-V498 HydrophobicContact CG2-CG2 3.95Å
317I98.9Very high98.8Very high2 Ų225.2 Ų25.21%0.0113%0.125CC..Hα-helixtrans-58.5-50.1177.3-70.9163.8000110.3Q41 Y54 M64 N313 I314 A319 L320 I321Q41-I317 HydrophobicContact CG-CD1 3.83Å; Y54-I317 HydrophobicContact CD1-CG2 4.03Å; Y54-I317 HydrophobicContact CD2-CG2 3.95Å; Y54-I317 HydrophobicContact CE1-CD1 4.35Å; Y54-I317 HydrophobicContact CE1-CG2 3.97Å; Y54-I317 HydrophobicContact CE2-CG2 3.83Å; Y54-I317 HydrophobicContact CG-CG2 4.03Å; M64-I317 HydrophobicContact CE-CG1 4.41Å; M64-I317 HydrophobicContact CE-CG2 4.16Å; N313-I317 VanDerWaalsContact O-CG1 3.3Å; N313-I317 WeakPolarHBondContact O-CG1 3.42Å; N313-I317 PolarHBondContact O-N 3.32Å; I314-I317 PolarHBondContact O-N 3.34Å; I317-A319 VanDerWaalsContact C-N 3.3Å; I317-A319 PolarHBondContact O-N 2.99Å; I317-L320 PolarHBondContact O-N 3.03Å; I317-I321 HydrophobicContact CG2-CD1 3.79Å; I317-I321 HydrophobicContact CG2-CG1 4.49Å; I317-I321 VanDerWaalsContact O-CG1 3.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.44Å; I317-I321 PolarHBondContact O-N 3.33Å
318L99Very high98.8Very high5 Ų521 Ų213%0.02610%0.101CC..Hα-helixtrans-62.1-38.1179.2-66177.8000112.1I52 I314 V316 G322 T473 M491 K495I52-L318 HydrophobicContact CG2-CD2 3.94Å; I52-L318 HydrophobicContact CG2-CG 4.48Å; I314-L318 HydrophobicContact CG2-CD1 4.05Å; I314-L318 HydrophobicContact CG2-CG 4.47Å; I314-L318 WeakPolarHBondContact O-CG 3.25Å; I314-L318 PolarHBondContact O-N 3.29Å; V316-L318 PolarHBondContact O-N 2.92Å; L318-G322 PolarHBondContact O-N 3.44Å; L318-G322 VanDerWaalsContact O-N 3.11Å; L318-T473 HydrophobicContact CD2-CG2 3.89Å; L318-M491 HydrophobicContact CD1-CE 3.78Å; L318-M491 HydrophobicContact CD1-CG 4Å; L318-M491 HydrophobicContact CD1-SD 3.79Å; L318-K495 HydrophobicContact CB-CD 4.11Å; L318-K495 HydrophobicContact CB-CG 4.13Å
319A99Very high98.7Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-64.1-47.8176.400000111.5P315 V316 I317 I321 G322 I323 K495 V498 Q499P315-A319 VanDerWaalsContact O-CB 3.25Å; P315-A319 WeakPolarHBondContact O-CB 3.24Å; P315-A319 PolarHBondContact O-N 3.5Å; V316-A319 WeakPolarHBondContact O-CB 3.42Å; V316-A319 PolarHBondContact O-N 3.19Å; I317-A319 VanDerWaalsContact C-N 3.3Å; I317-A319 PolarHBondContact O-N 2.99Å; A319-I321 PolarHBondContact O-N 3Å; A319-G322 CarbonylContact O-C 3.53Å; A319-G322 WeakPolarHBondContact O-CA 3.38Å; A319-G322 PolarHBondContact O-N 3.1Å; A319-G322 VanDerWaalsContact O-N 3.07Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 2.95Å; A319-K495 HydrophobicContact CB-CG 4.12Å; A319-K495 WeakPolarHBondContact CB-O 3.44Å; A319-V498 HydrophobicContact CB-CB 3.55Å; A319-V498 HydrophobicContact CB-CG1 3.44Å; A319-V498 VanDerWaalsContact CB-CG1 3.44Å; A319-Q499 HydrophobicContact CB-CG 3.72Å; A319-Q499 PolarHBondContact O-NE2 3.43Å
320L98.9Very high98.7Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-63.8-39.2-179.7-73.7177.8000112.8L67 I68 A71 V316 I317 G322 I323 W324 I502L67-L320 HydrophobicContact CB-CB 4.15Å; L67-L320 HydrophobicContact CB-CD1 4.05Å; L67-L320 HydrophobicContact CB-CD2 4.13Å; L67-L320 HydrophobicContact CB-CG 4.34Å; L67-L320 HydrophobicContact CD1-CB 4.46Å; L67-L320 VanDerWaalsContact O-CD2 3.25Å; L67-L320 WeakPolarHBondContact O-CD2 3.28Å; I68-L320 HydrophobicContact CG1-CD1 3.94Å; A71-L320 HydrophobicContact CB-CD1 4.39Å; A71-L320 HydrophobicContact CB-CD2 4.13Å; V316-L320 HydrophobicContact CG1-CD1 3.81Å; V316-L320 HydrophobicContact CG1-CG 4.23Å; V316-L320 WeakPolarHBondContact O-CB 3.11Å; V316-L320 VanDerWaalsContact O-CG 3.24Å; V316-L320 WeakPolarHBondContact O-CG 3.25Å; V316-L320 PolarHBondContact O-N 3.37Å; I317-L320 PolarHBondContact O-N 3.03Å; L320-G322 VanDerWaalsContact C-N 3.29Å; L320-G322 PolarHBondContact O-N 3.44Å; L320-I323 PolarHBondContact O-N 3.1Å; L320-W324 PolarHBondContact O-N 3.46Å; L320-I502 HydrophobicContact CD2-CD1 3.7Å
321I98.8Very high98.7Very high6 Ų619.6 Ų19.63%0.03110%0.098CC..Hα-helixtrans-61.1-41.7171.5-70.8172000110.3Y54 I317 A319 W324 Y325Y54-I321 HydrophobicContact CD2-CD1 3.73Å; Y54-I321 HydrophobicContact CG-CD1 3.92Å; I317-I321 HydrophobicContact CG2-CD1 3.79Å; I317-I321 HydrophobicContact CG2-CG1 4.49Å; I317-I321 VanDerWaalsContact O-CG1 3.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.44Å; I317-I321 PolarHBondContact O-N 3.33Å; A319-I321 PolarHBondContact O-N 3Å; I321-W324 WeakPolarHBondContact O-CB 3.44Å; I321-W324 PolarHBondContact O-N 2.91Å; I321-Y325 HydrophobicContact CG2-CD2 3.96Å; I321-Y325 HydrophobicContact CG2-CE2 3.46Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.46Å; I321-Y325 WeakPolarHBondContact O-CD2 3.49Å; I321-Y325 PolarHBondContact O-N 3.26Å
322G98.8Very high98.7Very high3 Ų320.6 Ų20.63%0.03110%0.103CC..Hα-helixtrans-61.5-48172.700000112.6L318 A319 L320 W324 Y325 H326L318-G322 PolarHBondContact O-N 3.44Å; L318-G322 VanDerWaalsContact O-N 3.11Å; A319-G322 CarbonylContact O-C 3.53Å; A319-G322 WeakPolarHBondContact O-CA 3.38Å; A319-G322 PolarHBondContact O-N 3.1Å; A319-G322 VanDerWaalsContact O-N 3.07Å; L320-G322 VanDerWaalsContact C-N 3.29Å; L320-G322 PolarHBondContact O-N 3.44Å; G322-W324 PolarHBondContact O-N 3.26Å; G322-Y325 PolarHBondContact O-N 3.39Å; G322-Y325 VanDerWaalsContact O-N 3.07Å; G322-H326 VanDerWaalsContact C-CD2 3.42Å; G322-H326 WeakPolarHBondContact O-CB 3.47Å; G322-H326 PolarHBondContact O-CD2 3.19Å; G322-H326 VanDerWaalsContact O-CG 3.23Å; G322-H326 PolarHBondContact O-N 2.98Å
323I98.9Very high98.8Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-53.7-43.9175.5-66.4-63000110.8L70 A319 L320 Y325 N327 F328 Q499 I502 W503L70-I323 HydrophobicContact CD2-CG2 4.16Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 2.95Å; L320-I323 PolarHBondContact O-N 3.1Å; I323-Y325 PolarHBondContact O-N 3.06Å; I323-N327 WeakPolarHBondContact O-CB 3.32Å; I323-N327 PolarHBondContact O-N 3.27Å; I323-N327 PolarHBondContact O-OD1 3.49Å; I323-F328 HydrophobicContact CG2-CE2 4.37Å; I323-Q499 HydrophobicContact CD1-CB 4.35Å; I323-Q499 HydrophobicContact CD1-CG 4.27Å; I323-Q499 HydrophobicContact CG1-CG 4.39Å; I323-I502 HydrophobicContact CD1-CB 4.18Å; I323-I502 HydrophobicContact CD1-CD1 4.5Å; I323-I502 HydrophobicContact CD1-CG2 3.75Å; I323-I502 HydrophobicContact CG1-CD1 3.95Å; I323-I502 HydrophobicContact CG1-CG2 4.1Å; I323-I502 HydrophobicContact CG2-CG2 4.44Å; I323-W503 HydrophobicContact CD1-CD2 4.14Å; I323-W503 HydrophobicContact CD1-CH2 4.44Å; I323-W503 HydrophobicContact CD1-CZ2 3.58Å; I323-W503 VanDerWaalsContact CD1-NE1 3.3Å
324W98.8Very high98.8Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-55.6-48.5176.6177.8-126.9000112.4F15 Y16 L58 L63 L67 L320 I321 G322 F328 F329F15-W324 HydrophobicContact CD1-CH2 4.24Å; Y16-W324 AromaticContact CD2-CH2 3.5Å; Y16-W324 HydrophobicContact CD2-CH2 3.5Å; Y16-W324 VanDerWaalsContact CD2-CH2 3.5Å; Y16-W324 AromaticContact CD2-CZ2 3.92Å; Y16-W324 HydrophobicContact CD2-CZ2 3.92Å; Y16-W324 HydrophobicContact CD2-CZ3 4.07Å; Y16-W324 HydrophobicContact CG-CH2 4.05Å; Y16-W324 HydrophobicContact CG-CZ3 4.41Å; L58-W324 PolarHBondContact O-NE1 3.49Å; L63-W324 HydrophobicContact CD1-CD2 4.49Å; L63-W324 HydrophobicContact CD1-CE3 4.13Å; L63-W324 HydrophobicContact CD1-CH2 4.2Å; L63-W324 HydrophobicContact CD1-CZ3 3.98Å; L63-W324 HydrophobicContact CD2-CD2 3.86Å; L63-W324 VanDerWaalsContact CD2-CE2 3.47Å; L63-W324 HydrophobicContact CD2-CE3 4.27Å; L63-W324 HydrophobicContact CD2-CG 4.38Å; L63-W324 HydrophobicContact CD2-CH2 4Å; L63-W324 HydrophobicContact CD2-CZ2 3.57Å; L63-W324 HydrophobicContact CD2-CZ3 4.35Å; L67-W324 HydrophobicContact CD1-CB 4.32Å; L67-W324 HydrophobicContact CD2-CB 4.43Å; L320-W324 PolarHBondContact O-N 3.46Å; I321-W324 WeakPolarHBondContact O-CB 3.44Å; I321-W324 PolarHBondContact O-N 2.91Å; G322-W324 PolarHBondContact O-N 3.26Å; W324-F328 HydrophobicContact CD2-CD2 4.42Å; W324-F328 HydrophobicContact CE3-CB 3.79Å; W324-F328 HydrophobicContact CE3-CD1 4.46Å; W324-F328 AromaticContact CE3-CD2 3.43Å; W324-F328 HydrophobicContact CE3-CD2 3.43Å; W324-F328 VanDerWaalsContact CE3-CD2 3.43Å; W324-F328 HydrophobicContact CE3-CE2 4.08Å; W324-F328 AromaticContact CE3-CG 3.63Å; W324-F328 HydrophobicContact CE3-CG 3.63Å; W324-F328 HydrophobicContact CH2-CB 4.48Å; W324-F328 HydrophobicContact CZ3-CB 3.76Å; W324-F328 HydrophobicContact CZ3-CD1 4.11Å; W324-F328 AromaticContact CZ3-CD2 3.91Å; W324-F328 HydrophobicContact CZ3-CD2 3.91Å; W324-F328 AromaticContact CZ3-CG 3.64Å; W324-F328 HydrophobicContact CZ3-CG 3.64Å; W324-F328 WeakPolarHBondContact O-CB 3.32Å; W324-F328 WeakPolarHBondContact O-CD2 3.42Å; W324-F328 PolarHBondContact O-N 2.88Å; W324-F329 HydrophobicContact CD2-CE2 4.39Å; W324-F329 AromaticContact CE2-CE2 3.51Å; W324-F329 HydrophobicContact CZ2-CD2 4.39Å; W324-F329 AromaticContact CZ2-CE2 3.62Å; W324-F329 HydrophobicContact CZ2-CE2 3.62Å; W324-F329 HydrophobicContact CZ2-CZ 4.49Å; W324-F329 AromaticContact NE1-CE2 3.45Å; W324-F329 PolarHBondContact O-N 3.07Å
325Y98.8Very high98.8Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-75.3-42.8-178.9-66.2-58.9000113.7H57 L58 I321 G322 I323 F329 G330 C331 M399 P401 P471H57-Y325 WeakPolarHBondContact CA-OH 3.42Å; H57-Y325 VanDerWaalsContact CB-OH 3.23Å; H57-Y325 WeakPolarHBondContact CB-OH 3.42Å; H57-Y325 AromaticContact CE1-CE2 3.77Å; H57-Y325 AromaticContact ND1-CE2 3.19Å; H57-Y325 WeakPolarHBondContact ND1-CE2 3.35Å; H57-Y325 AromaticContact ND1-CZ 3.41Å; H57-Y325 PolarHBondContact ND1-OH 2.98Å; L58-Y325 HydrophobicContact CB-CE1 4.49Å; L58-Y325 PolarHBondContact N-OH 3.11Å; I321-Y325 HydrophobicContact CG2-CD2 3.96Å; I321-Y325 HydrophobicContact CG2-CE2 3.46Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.46Å; I321-Y325 WeakPolarHBondContact O-CD2 3.49Å; I321-Y325 PolarHBondContact O-N 3.26Å; G322-Y325 PolarHBondContact O-N 3.39Å; G322-Y325 VanDerWaalsContact O-N 3.07Å; I323-Y325 PolarHBondContact O-N 3.06Å; Y325-F329 HydrophobicContact CD1-CB 4.35Å; Y325-F329 AromaticContact CD1-CD2 3.87Å; Y325-F329 HydrophobicContact CD1-CD2 3.87Å; Y325-F329 HydrophobicContact CD1-CE2 4.47Å; Y325-F329 HydrophobicContact CD1-CG 4.19Å; Y325-F329 HydrophobicContact CE1-CD2 4.27Å; Y325-F329 HydrophobicContact CE1-CE2 4.43Å; Y325-F329 CarbonylContact O-C 3.31Å; Y325-F329 WeakPolarHBondContact O-CA 3.33Å; Y325-F329 WeakPolarHBondContact O-CB 3.42Å; Y325-F329 PolarHBondContact O-N 3.49Å; Y325-G330 PolarHBondContact O-N 2.99Å; Y325-C331 PolarHBondContact O-N 2.97Å; Y325-M399 HydrophobicContact CD1-SD 4.25Å; Y325-M399 HydrophobicContact CE1-SD 4.47Å; Y325-P401 HydrophobicContact CD1-CG 4.21Å; Y325-P401 HydrophobicContact CD2-CB 3.91Å; Y325-P401 HydrophobicContact CD2-CG 3.59Å; Y325-P401 HydrophobicContact CE2-CB 4.42Å; Y325-P401 HydrophobicContact CE2-CG 4.39Å; Y325-P401 HydrophobicContact CG-CB 4.33Å; Y325-P401 HydrophobicContact CG-CG 3.51Å; Y325-P471 HydrophobicContact CD1-CG 4.33Å; Y325-P471 HydrophobicContact CE1-CB 4.03Å; Y325-P471 HydrophobicContact CE1-CG 3.67Å; Y325-P471 HydrophobicContact CE2-CB 4.19Å; Y325-P471 HydrophobicContact CE2-CG 4.27Å; Y325-P471 VanDerWaalsContact OH-CB 3.23Å; Y325-P471 WeakPolarHBondContact OH-CB 3.41Å
326H98.6Very high98.8Very high3 Ų314.4 Ų14.41%0.0148%0.083CC..Hα-helixtrans-72.6-39.2-174.8-57.5-41.6000112G322 C331 T372 P375 W503G322-H326 VanDerWaalsContact C-CD2 3.42Å; G322-H326 WeakPolarHBondContact O-CB 3.47Å; G322-H326 PolarHBondContact O-CD2 3.19Å; G322-H326 VanDerWaalsContact O-CG 3.23Å; G322-H326 PolarHBondContact O-N 2.98Å; H326-C331 PolarHBondContact ND1-O 3.37Å; H326-T372 PolarHBondContact O-OG1 3.16Å; H326-P375 VanDerWaalsContact CE1-CB 3.45Å; H326-P375 WeakPolarHBondContact CE1-CB 3.14Å; H326-W503 HydrophobicContact CB-CZ2 4.45Å
327N98.7Very high98.8Very high19 Ų1914.4 Ų14.410%0.1028%0.083CC..Hα-helixtrans-95.8-22.3-173.6-62.7125.2000114.5Y9 I323 T372 W503Y9-N327 HydrophobicContact CE2-CB 4.04Å; I323-N327 WeakPolarHBondContact O-CB 3.32Å; I323-N327 PolarHBondContact O-N 3.27Å; I323-N327 PolarHBondContact O-OD1 3.49Å; N327-T372 PolarHBondContact ND2-O 2.7Å; N327-T372 PolarHBondContact ND2-OG1 3.33Å; N327-W503 PolarHBondContact OD1-NE1 3.44Å
328F98.5Very high98.8Very high17 Ų1714.4 Ų14.48%0.0758%0.084CC..THydrogen-bonded Turntrans-113.2-42.9-178.8-55-90.2000112.8Y9 L12 K13 Y16 I323 W324Y9-F328 HydrophobicContact CD2-CE1 4.44Å; Y9-F328 HydrophobicContact CD2-CE2 4.41Å; Y9-F328 AromaticContact CD2-CZ 3.69Å; Y9-F328 HydrophobicContact CD2-CZ 3.69Å; Y9-F328 HydrophobicContact CE1-CE1 4.45Å; Y9-F328 HydrophobicContact CE2-CE1 4.04Å; Y9-F328 AromaticContact CE2-CE2 3.95Å; Y9-F328 HydrophobicContact CE2-CE2 3.95Å; Y9-F328 AromaticContact CE2-CZ 3.43Å; Y9-F328 HydrophobicContact CE2-CZ 3.43Å; Y9-F328 VanDerWaalsContact CE2-CZ 3.43Å; Y9-F328 HydrophobicContact CG-CZ 4.38Å; Y9-F328 AromaticContact CZ-CZ 3.92Å; L12-F328 HydrophobicContact CB-CE1 3.62Å; L12-F328 HydrophobicContact CB-CE2 4.26Å; L12-F328 HydrophobicContact CB-CZ 3.39Å; L12-F328 HydrophobicContact CD1-CE2 4.49Å; L12-F328 HydrophobicContact CD1-CZ 4.1Å; L12-F328 HydrophobicContact CG-CZ 4.33Å; K13-F328 HydrophobicContact CB-CE1 4.06Å; Y16-F328 HydrophobicContact CD1-CB 4.48Å; Y16-F328 HydrophobicContact CD2-CB 3.8Å; Y16-F328 WeakPolarHBondContact CE1-O 3.49Å; Y16-F328 HydrophobicContact CE2-CB 4.23Å; Y16-F328 HydrophobicContact CG-CB 3.94Å; Y16-F328 PolarHBondContact OH-O 3.43Å; I323-F328 HydrophobicContact CG2-CE2 4.37Å; W324-F328 HydrophobicContact CD2-CD2 4.42Å; W324-F328 HydrophobicContact CE3-CB 3.79Å; W324-F328 HydrophobicContact CE3-CD1 4.46Å; W324-F328 AromaticContact CE3-CD2 3.43Å; W324-F328 HydrophobicContact CE3-CD2 3.43Å; W324-F328 VanDerWaalsContact CE3-CD2 3.43Å; W324-F328 HydrophobicContact CE3-CE2 4.08Å; W324-F328 AromaticContact CE3-CG 3.63Å; W324-F328 HydrophobicContact CE3-CG 3.63Å; W324-F328 HydrophobicContact CH2-CB 4.48Å; W324-F328 HydrophobicContact CZ3-CB 3.76Å; W324-F328 HydrophobicContact CZ3-CD1 4.11Å; W324-F328 AromaticContact CZ3-CD2 3.91Å; W324-F328 HydrophobicContact CZ3-CD2 3.91Å; W324-F328 AromaticContact CZ3-CG 3.64Å; W324-F328 HydrophobicContact CZ3-CG 3.64Å; W324-F328 WeakPolarHBondContact O-CB 3.32Å; W324-F328 WeakPolarHBondContact O-CD2 3.42Å; W324-F328 PolarHBondContact O-N 2.88Å
329F98.2Very high98.8Very high42 Ų4214.1 Ų14.118%0.1848%0.082CC..SBendtrans-82.1-12.7172.1-79.1-92.6000113.9Y16 L58 W324 Y325 C331 M399Y16-F329 HydrophobicContact CD2-CD2 4.37Å; Y16-F329 HydrophobicContact CD2-CE2 4.12Å; Y16-F329 HydrophobicContact CE2-CD1 4.12Å; Y16-F329 AromaticContact CE2-CD2 3.77Å; Y16-F329 HydrophobicContact CE2-CD2 3.77Å; Y16-F329 HydrophobicContact CE2-CE1 4.05Å; Y16-F329 AromaticContact CE2-CE2 3.69Å; Y16-F329 HydrophobicContact CE2-CE2 3.69Å; Y16-F329 AromaticContact CE2-CG 3.99Å; Y16-F329 HydrophobicContact CE2-CG 3.99Å; Y16-F329 AromaticContact CE2-CZ 3.84Å; Y16-F329 HydrophobicContact CE2-CZ 3.84Å; L58-F329 HydrophobicContact CB-CZ 4.48Å; L58-F329 HydrophobicContact CD1-CE1 4.03Å; L58-F329 HydrophobicContact CD1-CE2 4.44Å; L58-F329 HydrophobicContact CD1-CZ 3.73Å; W324-F329 HydrophobicContact CD2-CE2 4.39Å; W324-F329 AromaticContact CE2-CE2 3.51Å; W324-F329 HydrophobicContact CZ2-CD2 4.39Å; W324-F329 AromaticContact CZ2-CE2 3.62Å; W324-F329 HydrophobicContact CZ2-CE2 3.62Å; W324-F329 HydrophobicContact CZ2-CZ 4.49Å; W324-F329 AromaticContact NE1-CE2 3.45Å; W324-F329 PolarHBondContact O-N 3.07Å; Y325-F329 HydrophobicContact CD1-CB 4.35Å; Y325-F329 AromaticContact CD1-CD2 3.87Å; Y325-F329 HydrophobicContact CD1-CD2 3.87Å; Y325-F329 HydrophobicContact CD1-CE2 4.47Å; Y325-F329 HydrophobicContact CD1-CG 4.19Å; Y325-F329 HydrophobicContact CE1-CD2 4.27Å; Y325-F329 HydrophobicContact CE1-CE2 4.43Å; Y325-F329 CarbonylContact O-C 3.31Å; Y325-F329 WeakPolarHBondContact O-CA 3.33Å; Y325-F329 WeakPolarHBondContact O-CB 3.42Å; Y325-F329 PolarHBondContact O-N 3.49Å; F329-C331 VanDerWaalsContact C-N 3.27Å; F329-C331 PolarHBondContact O-N 2.69Å; F329-M399 HydrophobicContact CB-SD 4.11Å; F329-M399 HydrophobicContact CD1-CE 3.7Å; F329-M399 HydrophobicContact CD1-SD 3.4Å; F329-M399 WeakPolarHBondContact CD1-SD 3.42Å; F329-M399 HydrophobicContact CE1-CE 3.76Å; F329-M399 HydrophobicContact CE1-SD 3.94Å; F329-M399 HydrophobicContact CG-SD 3.83Å
330G97.9Very high98.7Very high46 Ų4614.8 Ų14.847%0.4749%0.086SC..  trans67.326-177.600000113.4Y325 E332Y325-G330 PolarHBondContact O-N 2.99Å; G330-E332 PolarHBondContact O-N 3.14Å; G330-E332 VanDerWaalsContact O-N 3.15Å
331C98.7Very high98.7Very high8 Ų820.1 Ų20.15%0.05411%0.111CC..  trans-67.7110.7178.5-63.50000110.3Y325 H326 F329 T333 M399 P401Y325-C331 PolarHBondContact O-N 2.97Å; H326-C331 PolarHBondContact ND1-O 3.37Å; F329-C331 VanDerWaalsContact C-N 3.27Å; F329-C331 PolarHBondContact O-N 2.69Å; C331-T333 VanDerWaalsContact C-N 3.31Å; C331-T333 PolarHBondContact O-N 3.36Å; C331-M399 PolarHBondContact SG-O 2.92Å; C331-P401 HydrophobicContact CB-CG 4.12Å
332E98.6Very high98.7Very high112 Ų11222.3 Ų22.352%0.52312%0.119SC..  trans-72.4-21.1-178.1-65.1176.3-128.300113.8G330 P375 I376 R398G330-E332 PolarHBondContact O-N 3.14Å; G330-E332 VanDerWaalsContact O-N 3.15Å; E332-P375 WeakPolarHBondContact O-CA 3.41Å; E332-I376 PolarHBondContact O-N 3.47Å; E332-R398 IonicContact OE1-CZ 2.8Å; E332-R398 IonicContact OE1-NH1 3.79Å; E332-R398 PolarHBondContact OE1-NH1 3.46Å
333T98.9Very high98.7Very high30 Ų3022.1 Ų22.118%0.18412%0.117CC..EExtended strand (participates in β ladder)trans-125.9155.3-169.9700000112.7C331 I376C331-T333 VanDerWaalsContact C-N 3.31Å; C331-T333 PolarHBondContact O-N 3.36Å; T333-I376 CarbonylContact C-O 3.54Å; T333-I376 WeakPolarHBondContact CA-O 3.43Å; T333-I376 WeakPolarHBondContact CB-O 3.07Å; T333-I376 HydrophobicContact CG2-CB 4.15Å
334H98.9Very high98.7Very high7 Ų724.6 Ų24.63%0.03213%0.129CC..EExtended strand (participates in β ladder)trans-131.5120.7170.1-173.483.4000109.9P375 I376 V377 W378 D403 K495H334-P375 HydrophobicContact CB-CB 4.13Å; H334-P375 HydrophobicContact CB-CG 3.85Å; H334-I376 PolarHBondContact N-O 3.25Å; H334-V377 WeakPolarHBondContact O-CA 3.46Å; H334-W378 PolarHBondContact O-N 3.45Å; H334-D403 IonicContact CD2-OD2 3.89Å; H334-D403 VanDerWaalsContact CE1-CG 3.47Å; H334-D403 IonicContact CE1-OD1 3.82Å; H334-D403 PolarHBondContact CE1-OD1 2.88Å; H334-D403 VanDerWaalsContact CE1-OD1 3.27Å; H334-D403 IonicContact CE1-OD2 3.41Å; H334-D403 PolarHBondContact CE1-OD2 3.22Å; H334-D403 VanDerWaalsContact CE1-OD2 3.25Å; H334-D403 IonicContact NE2-OD1 2.76Å; H334-D403 PolarHBondContact NE2-OD1 3.46Å; H334-D403 IonicContact NE2-OD2 3.46Å; H334-D403 PolarHBondContact NE2-OD2 2.91Å; H334-K495 PolarHBondContact CE1-NZ 3.44Å; H334-K495 PolarHBondContact NE2-NZ 3.36Å; H334-K495 VanDerWaalsContact NE2-NZ 3.18Å
335A99Very high98.7Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-95.4131.1-176.100000112L337 W378 I400 P401 C402 D403A335-L337 HydrophobicContact CB-CD1 4.23Å; A335-L337 HydrophobicContact CB-CD2 4.28Å; A335-L337 HydrophobicContact CB-CG 4.15Å; A335-W378 CarbonylContact C-O 3.51Å; A335-W378 VanDerWaalsContact CA-O 3.25Å; A335-W378 WeakPolarHBondContact CA-O 3.4Å; A335-W378 HydrophobicContact CB-CZ2 4.26Å; A335-I400 HydrophobicContact CB-CG2 3.94Å; A335-P401 PolarHBondContact N-O 3.22Å; A335-C402 HydrophobicContact CB-CB 4.31Å; A335-C402 CarbonylContact O-C 3.55Å; A335-C402 WeakPolarHBondContact O-CA 3.47Å; A335-D403 PolarHBondContact O-N 3.06Å
336L99Very high98.7Very high2 Ų228.4 Ų28.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-108.5111.8172.8-61.2-178.7000109.4P338 F346 A347 F350 V377 W378 G379 D403 Y492L336-P338 VanDerWaalsContact O-CD 3.24Å; L336-P338 WeakPolarHBondContact O-CD 3.25Å; L336-F346 HydrophobicContact CD1-CD1 4.38Å; L336-F346 HydrophobicContact CD1-CE1 4.3Å; L336-A347 HydrophobicContact CB-CB 4.1Å; L336-F350 HydrophobicContact CD1-CB 3.5Å; L336-F350 HydrophobicContact CD1-CD2 4.11Å; L336-F350 HydrophobicContact CD1-CG 4.08Å; L336-V377 HydrophobicContact CD1-CG1 3.81Å; L336-V377 HydrophobicContact CG-CG1 4.09Å; L336-W378 PolarHBondContact N-O 2.82Å; L336-G379 WeakPolarHBondContact O-CA 3.45Å; L336-D403 HydrophobicContact CD2-CB 3.87Å; L336-Y492 HydrophobicContact CD2-CE1 3.67Å; L336-Y492 WeakPolarHBondContact CD2-OH 3.3Å
337L98.9Very high98.8Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-122.574.4-166.5-56174.4000110.3A335 Y339 F389 Y390 I393 C402 D403 F404 I405A335-L337 HydrophobicContact CB-CD1 4.23Å; A335-L337 HydrophobicContact CB-CD2 4.28Å; A335-L337 HydrophobicContact CB-CG 4.15Å; L337-Y339 WeakPolarHBondContact O-CD2 3.43Å; L337-Y339 PolarHBondContact O-N 3.19Å; L337-F389 HydrophobicContact CD2-CE2 3.87Å; L337-F389 HydrophobicContact CD2-CZ 3.95Å; L337-Y390 HydrophobicContact CD1-CE1 3.96Å; L337-Y390 WeakPolarHBondContact CD1-OH 3.43Å; L337-Y390 HydrophobicContact CD2-CE1 4.15Å; L337-I393 HydrophobicContact CD1-CD1 4.41Å; L337-C402 HydrophobicContact CD1-CB 3.85Å; L337-D403 PolarHBondContact N-O 3.4Å; L337-F404 HydrophobicContact CD1-CD2 4.31Å; L337-F404 HydrophobicContact CD1-CE1 4.4Å; L337-F404 HydrophobicContact CD1-CE2 3.74Å; L337-F404 HydrophobicContact CD1-CZ 3.78Å; L337-I405 PolarHBondContact O-N 2.84Å
338P98.9Very high98.8Very high2 Ų228 Ų281%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-71.1123179.229.3-33.1000111L336 D340 L343 P381 G382 I405L336-P338 VanDerWaalsContact O-CD 3.24Å; L336-P338 WeakPolarHBondContact O-CD 3.25Å; P338-D340 PolarHBondContact O-N 3.44Å; P338-L343 HydrophobicContact CB-CB 3.69Å; P338-L343 HydrophobicContact CB-CD1 3.99Å; P338-L343 HydrophobicContact CG-CB 4.03Å; P338-P381 CarbonylContact O-C 3.52Å; P338-P381 WeakPolarHBondContact O-CA 3.07Å; P338-P381 WeakPolarHBondContact O-CB 3.4Å; P338-G382 PolarHBondContact O-N 2.7Å; P338-I405 CarbonylContact C-O 3.53Å; P338-I405 HydrophobicContact CB-CB 4.34Å
339Y98.9Very high98.8Very high0 Ų027.5 Ų27.50%014%0.141CC..SBendtrans-82.957.2167.6-81.2-122.6000109L337 T383 Q386 F404 I405 L423 N426 F427 Q430L337-Y339 WeakPolarHBondContact O-CD2 3.43Å; L337-Y339 PolarHBondContact O-N 3.19Å; Y339-T383 HydrophobicContact CD1-CG2 4.49Å; Y339-T383 HydrophobicContact CE1-CG2 4.13Å; Y339-Q386 PolarHBondContact OH-NE2 3.4Å; Y339-F404 HydrophobicContact CD2-CD1 4.07Å; Y339-F404 AromaticContact CE2-CD1 3.38Å; Y339-F404 HydrophobicContact CE2-CD1 3.38Å; Y339-F404 AromaticContact CE2-CE1 3.58Å; Y339-F404 HydrophobicContact CE2-CE1 3.58Å; Y339-F404 AromaticContact CZ-CD1 3.99Å; Y339-F404 AromaticContact CZ-CE1 3.92Å; Y339-F404 WeakPolarHBondContact OH-CE1 3.48Å; Y339-I405 PolarHBondContact N-O 3.36Å; Y339-L423 HydrophobicContact CD1-CD1 3.71Å; Y339-L423 HydrophobicContact CD1-CG 4.23Å; Y339-L423 HydrophobicContact CG-CD1 4.34Å; Y339-L423 WeakPolarHBondContact O-CD2 3.45Å; Y339-N426 HydrophobicContact CE1-CB 4.04Å; Y339-F427 HydrophobicContact CD1-CB 3.61Å; Y339-F427 HydrophobicContact CD1-CD2 4.4Å; Y339-F427 HydrophobicContact CD2-CD2 4.02Å; Y339-F427 HydrophobicContact CE1-CB 3.83Å; Y339-F427 VanDerWaalsContact CE1-N 3.28Å; Y339-F427 HydrophobicContact CG-CB 4.03Å; Y339-F427 AromaticContact CG-CD2 3.95Å; Y339-F427 HydrophobicContact CG-CD2 3.95Å; Y339-Q430 VanDerWaalsContact OH-CG 3.27Å; Y339-Q430 WeakPolarHBondContact OH-CG 3.32Å
340D98.9Very high98.8Very high14 Ų1425.7 Ų25.78%0.07513%0.133CC..  trans-156.8128.1176.7-179.2-81.8000108.7P338 Y342 L343 P407P338-D340 PolarHBondContact O-N 3.44Å; D340-Y342 VanDerWaalsContact OD1-CA 3.28Å; D340-Y342 WeakPolarHBondContact OD1-CA 3.25Å; D340-Y342 VanDerWaalsContact OD1-CB 3.25Å; D340-Y342 WeakPolarHBondContact OD1-CB 3.49Å; D340-Y342 PolarHBondContact OD1-N 2.91Å; D340-L343 HydrophobicContact CB-CB 4.19Å; D340-L343 HydrophobicContact CB-CD1 4.04Å; D340-L343 HydrophobicContact CB-CG 4.07Å; D340-L343 PolarHBondContact O-N 2.67Å; D340-L343 PolarHBondContact OD1-N 3.45Å; D340-P407 HydrophobicContact CB-CG 4.3Å
341Q98.9Very high98.9Very high112 Ų11227.3 Ų27.352%0.52313%0.128SC..SBendtrans-77.1-25.2-175.8-171.559.455.400112.8L343 H344Q341-L343 VanDerWaalsContact C-N 3.26Å; Q341-H344 WeakPolarHBondContact O-CB 3.36Å; Q341-H344 PolarHBondContact O-CD2 2.92Å; Q341-H344 PolarHBondContact O-N 3.34Å
342Y98.8Very high98.9Very high51 Ų5128.1 Ų28.120%0.213%0.131CC..G310 helixtrans-69-29.5172.9-68.9-46.2000111E168 A169 K171 A172 D340 H344 H411E168-Y342 CarbonylContact C-O 3.4Å; E168-Y342 WeakPolarHBondContact O-CB 3.4Å; E168-Y342 WeakPolarHBondContact O-CD1 3.39Å; A169-Y342 WeakPolarHBondContact CA-O 3.4Å; A169-Y342 PolarHBondContact N-O 3.09Å; K171-Y342 HydrophobicContact CB-CD1 3.83Å; K171-Y342 HydrophobicContact CB-CE1 3.58Å; K171-Y342 HydrophobicContact CD-CD1 4.4Å; K171-Y342 HydrophobicContact CD-CE1 3.88Å; K171-Y342 HydrophobicContact CG-CE1 3.88Å; A172-Y342 HydrophobicContact CB-CE2 4.09Å; D340-Y342 VanDerWaalsContact OD1-CA 3.28Å; D340-Y342 WeakPolarHBondContact OD1-CA 3.25Å; D340-Y342 VanDerWaalsContact OD1-CB 3.25Å; D340-Y342 WeakPolarHBondContact OD1-CB 3.49Å; D340-Y342 PolarHBondContact OD1-N 2.91Å; Y342-H344 PolarHBondContact O-N 3.45Å; Y342-H411 HydrophobicContact CE2-CB 4.04Å
343L98.9Very high98.9Very high0 Ų022.8 Ų22.80%011%0.107CC..G310 helixtrans-78.816.1173.9-64.6-177.3000115A169 P338 D340 Q341 R345 F346 I405 V480 L485A169-L343 HydrophobicContact CB-CD2 3.77Å; P338-L343 HydrophobicContact CB-CB 3.69Å; P338-L343 HydrophobicContact CB-CD1 3.99Å; P338-L343 HydrophobicContact CG-CB 4.03Å; D340-L343 HydrophobicContact CB-CB 4.19Å; D340-L343 HydrophobicContact CB-CD1 4.04Å; D340-L343 HydrophobicContact CB-CG 4.07Å; D340-L343 PolarHBondContact O-N 2.67Å; D340-L343 PolarHBondContact OD1-N 3.45Å; Q341-L343 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 2.78Å; L343-F346 HydrophobicContact CB-CB 4.1Å; L343-F346 HydrophobicContact CD2-CD2 4.2Å; L343-F346 WeakPolarHBondContact O-CB 3.39Å; L343-F346 PolarHBondContact O-N 2.89Å; L343-I405 HydrophobicContact CD1-CG2 4.4Å; L343-V480 HydrophobicContact CD1-CG2 4.39Å; L343-V480 HydrophobicContact CD2-CG1 4.37Å; L343-L485 HydrophobicContact CD2-CD1 3.98Å
344H98.9Very high98.9Very high52 Ų5221.6 Ų21.624%0.24110%0.099CC..G310 helixtrans-59.5-22.3-177.475.2116.6000116E168 Q341 Y342 P381E168-H344 WeakPolarHBondContact CG-NE2 3.49Å; E168-H344 IonicContact OE2-CD2 2.88Å; E168-H344 IonicContact OE2-CE1 3.71Å; E168-H344 IonicContact OE2-NE2 3.83Å; E168-H344 PolarHBondContact OE2-NE2 3.28Å; Q341-H344 WeakPolarHBondContact O-CB 3.36Å; Q341-H344 PolarHBondContact O-CD2 2.92Å; Q341-H344 PolarHBondContact O-N 3.34Å; Y342-H344 PolarHBondContact O-N 3.45Å; H344-P381 HydrophobicContact CB-CG 3.73Å
345R98.9Very high98.9Very high79 Ų7924.5 Ų24.530%0.29811%0.113SC..G310 helixtrans-98.31.8174.8-57.4-53.9-63.3153.4-3.2113.8L164 M165 L343 A348 Y349L164-R345 HydrophobicContact CG-CG 4.47Å; M165-R345 HydrophobicContact CB-CB 3.94Å; M165-R345 HydrophobicContact CG-CB 4.08Å; L343-R345 PolarHBondContact O-N 2.78Å; R345-A348 VanDerWaalsContact CZ-CB 3.5Å; R345-A348 VanDerWaalsContact NH2-CB 3.35Å; R345-A348 PolarHBondContact O-N 2.94Å; R345-Y349 PolarHBondContact O-N 2.97Å
346F98.9Very high98.8Very high0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-62.4-45.8-176.8-171.2-94.6000112.2M165 L336 L343 A348 Y349 F350 I405 L488 I489 Y492M165-F346 HydrophobicContact SD-CD2 4.2Å; L336-F346 HydrophobicContact CD1-CD1 4.38Å; L336-F346 HydrophobicContact CD1-CE1 4.3Å; L343-F346 HydrophobicContact CB-CB 4.1Å; L343-F346 HydrophobicContact CD2-CD2 4.2Å; L343-F346 WeakPolarHBondContact O-CB 3.39Å; L343-F346 PolarHBondContact O-N 2.89Å; F346-A348 PolarHBondContact O-N 3.41Å; F346-Y349 PolarHBondContact O-N 3.25Å; F346-F350 HydrophobicContact CD1-CD2 4.04Å; F346-F350 HydrophobicContact CD1-CE2 4.42Å; F346-F350 HydrophobicContact CD2-CD2 4.48Å; F346-F350 HydrophobicContact CD2-CE2 4.25Å; F346-F350 AromaticContact CE1-CD2 3.64Å; F346-F350 HydrophobicContact CE1-CD2 3.64Å; F346-F350 AromaticContact CE1-CE2 3.77Å; F346-F350 HydrophobicContact CE1-CE2 3.77Å; F346-F350 HydrophobicContact CE2-CD2 4.15Å; F346-F350 AromaticContact CE2-CE2 3.59Å; F346-F350 HydrophobicContact CE2-CE2 3.59Å; F346-F350 HydrophobicContact CG-CD2 4.44Å; F346-F350 AromaticContact CZ-CD2 3.71Å; F346-F350 HydrophobicContact CZ-CD2 3.71Å; F346-F350 AromaticContact CZ-CE2 3.31Å; F346-F350 HydrophobicContact CZ-CE2 3.31Å; F346-F350 HydrophobicContact CZ-CZ 4.43Å; F346-F350 PolarHBondContact O-N 3.22Å; F346-F350 VanDerWaalsContact O-N 3.14Å; F346-I405 HydrophobicContact CD1-CD1 4Å; F346-I405 HydrophobicContact CE1-CD1 3.52Å; F346-I405 HydrophobicContact CZ-CD1 4.13Å; F346-L488 HydrophobicContact CE2-CD2 3.7Å; F346-L488 HydrophobicContact CE2-CG 3.94Å; F346-L488 HydrophobicContact CZ-CD1 4.41Å; F346-L488 HydrophobicContact CZ-CD2 3.75Å; F346-L488 HydrophobicContact CZ-CG 3.75Å; F346-I489 HydrophobicContact CE2-CG1 4.37Å; F346-Y492 HydrophobicContact CE1-CD2 4.29Å; F346-Y492 AromaticContact CE1-CE2 3.91Å; F346-Y492 HydrophobicContact CE1-CE2 3.91Å; F346-Y492 AromaticContact CZ-CD2 3.89Å; F346-Y492 HydrophobicContact CZ-CD2 3.89Å; F346-Y492 AromaticContact CZ-CE2 3.82Å; F346-Y492 HydrophobicContact CZ-CE2 3.82Å
347A98.8Very high98.8Very high4 Ų427 Ų273%0.03313%0.125CC..Hα-helixtrans-62.4-43.1176.600000111.8L336 Y349 F350 Q351L336-A347 HydrophobicContact CB-CB 4.1Å; A347-Y349 PolarHBondContact O-N 3.13Å; A347-F350 CarbonylContact O-C 3.56Å; A347-F350 PolarHBondContact O-N 2.9Å; A347-Q351 WeakPolarHBondContact O-CG 3.18Å; A347-Q351 PolarHBondContact O-N 3.23Å
348A98.7Very high98.8Very high11 Ų1127 Ų279%0.09113%0.125CC..Hα-helixtrans-67.4-32.8178.200000113.3R345 F346 Q351R345-A348 VanDerWaalsContact CZ-CB 3.5Å; R345-A348 VanDerWaalsContact NH2-CB 3.35Å; R345-A348 PolarHBondContact O-N 2.94Å; F346-A348 PolarHBondContact O-N 3.41Å; A348-Q351 WeakPolarHBondContact O-CB 3.28Å; A348-Q351 PolarHBondContact O-N 3.2Å
349Y98.9Very high98.8Very high6 Ų629.4 Ų29.42%0.02415%0.15CC..Hα-helixtrans-62.1-46.5170.8173.4-98.4000111L161 G162 M165 R271 L274 R345 F346 A347 Q351 Q352 G353 I489L161-Y349 HydrophobicContact CB-CD2 4.35Å; G162-Y349 VanDerWaalsContact CA-CE2 3.49Å; M165-Y349 HydrophobicContact CE-CD1 3.65Å; M165-Y349 HydrophobicContact CE-CD2 3.97Å; M165-Y349 HydrophobicContact CE-CE1 4.11Å; M165-Y349 HydrophobicContact CE-CE2 4.38Å; M165-Y349 HydrophobicContact CE-CG 3.57Å; M165-Y349 HydrophobicContact CG-CG 4.5Å; R271-Y349 PolarHBondContact O-OH 2.93Å; L274-Y349 HydrophobicContact CD2-CE2 3.69Å; L274-Y349 VanDerWaalsContact CD2-OH 3.32Å; L274-Y349 WeakPolarHBondContact CD2-OH 3.31Å; R345-Y349 PolarHBondContact O-N 2.97Å; F346-Y349 PolarHBondContact O-N 3.25Å; A347-Y349 PolarHBondContact O-N 3.13Å; Y349-Q351 VanDerWaalsContact C-N 3.34Å; Y349-Q351 PolarHBondContact O-N 3.3Å; Y349-Q352 PolarHBondContact O-N 3.31Å; Y349-G353 PolarHBondContact O-N 2.92Å; Y349-I489 HydrophobicContact CE1-CG2 3.73Å
350F98.9Very high98.8Very high3 Ų330.9 Ų30.91%0.01316%0.156CC..Hα-helixtrans-78-13.4178.9-79.5-64.1000114.8L336 F346 A347 Q352 G353 D354 V377 I489 Y492 I496L336-F350 HydrophobicContact CD1-CB 3.5Å; L336-F350 HydrophobicContact CD1-CD2 4.11Å; L336-F350 HydrophobicContact CD1-CG 4.08Å; F346-F350 HydrophobicContact CD1-CD2 4.04Å; F346-F350 HydrophobicContact CD1-CE2 4.42Å; F346-F350 HydrophobicContact CD2-CD2 4.48Å; F346-F350 HydrophobicContact CD2-CE2 4.25Å; F346-F350 AromaticContact CE1-CD2 3.64Å; F346-F350 HydrophobicContact CE1-CD2 3.64Å; F346-F350 AromaticContact CE1-CE2 3.77Å; F346-F350 HydrophobicContact CE1-CE2 3.77Å; F346-F350 HydrophobicContact CE2-CD2 4.15Å; F346-F350 AromaticContact CE2-CE2 3.59Å; F346-F350 HydrophobicContact CE2-CE2 3.59Å; F346-F350 HydrophobicContact CG-CD2 4.44Å; F346-F350 AromaticContact CZ-CD2 3.71Å; F346-F350 HydrophobicContact CZ-CD2 3.71Å; F346-F350 AromaticContact CZ-CE2 3.31Å; F346-F350 HydrophobicContact CZ-CE2 3.31Å; F346-F350 HydrophobicContact CZ-CZ 4.43Å; F346-F350 PolarHBondContact O-N 3.22Å; F346-F350 VanDerWaalsContact O-N 3.14Å; A347-F350 CarbonylContact O-C 3.56Å; A347-F350 PolarHBondContact O-N 2.9Å; F350-Q352 VanDerWaalsContact C-N 3.32Å; F350-G353 PolarHBondContact O-N 3.33Å; F350-D354 WeakPolarHBondContact O-CB 3.25Å; F350-D354 PolarHBondContact O-N 3.15Å; F350-V377 HydrophobicContact CB-CG1 4.39Å; F350-I489 HydrophobicContact CZ-CB 4.4Å; F350-I489 HydrophobicContact CZ-CG2 3.94Å; F350-Y492 HydrophobicContact CD1-CG 4.48Å; F350-Y492 HydrophobicContact CD2-CG 4.5Å; F350-Y492 HydrophobicContact CE1-CG 4.14Å; F350-Y492 HydrophobicContact CE2-CD2 4.09Å; F350-Y492 HydrophobicContact CE2-CG 4.14Å; F350-Y492 HydrophobicContact CZ-CD2 4.19Å; F350-Y492 AromaticContact CZ-CG 3.96Å; F350-Y492 HydrophobicContact CZ-CG 3.96Å; F350-I496 HydrophobicContact CD1-CD1 3.93Å; F350-I496 HydrophobicContact CE1-CD1 4.14Å
351Q98.9Very high98.8Very high81 Ų8137.1 Ų37.138%0.37918%0.18SC..Iπ-helixtrans-56.6-49.4161.6-80.9175.4-1400110.5A347 A348 Y349 M355 V377A347-Q351 WeakPolarHBondContact O-CG 3.18Å; A347-Q351 PolarHBondContact O-N 3.23Å; A348-Q351 WeakPolarHBondContact O-CB 3.28Å; A348-Q351 PolarHBondContact O-N 3.2Å; Y349-Q351 VanDerWaalsContact C-N 3.34Å; Y349-Q351 PolarHBondContact O-N 3.3Å; Q351-M355 HydrophobicContact CB-SD 4.14Å; Q351-M355 HydrophobicContact CG-SD 4.11Å; Q351-M355 WeakPolarHBondContact O-CB 3.16Å; Q351-M355 VanDerWaalsContact O-CG 3.23Å; Q351-M355 WeakPolarHBondContact O-CG 3.21Å; Q351-M355 PolarHBondContact O-N 3.48Å; Q351-V377 HydrophobicContact CG-CB 4.32Å; Q351-V377 HydrophobicContact CG-CG1 4.38Å; Q351-V377 WeakPolarHBondContact CG-O 3.47Å; Q351-V377 PolarHBondContact NE2-O 3.27Å; Q351-V377 VanDerWaalsContact NE2-O 3.11Å
352Q98.7Very high98.8Very high24 Ų2434.4 Ų34.411%0.11217%0.171CC..Iπ-helixtrans-69.5-49.2174.1-167.9-17319.100111.2G157 G158 L161 R271 Y349 F350 D354 E356G157-Q352 VanDerWaalsContact C-OE1 3.26Å; G158-Q352 VanDerWaalsContact N-NE2 3.14Å; L161-Q352 HydrophobicContact CD1-CB 3.79Å; L161-Q352 HydrophobicContact CD1-CG 4.49Å; R271-Q352 HydrophobicContact CB-CG 3.89Å; R271-Q352 WeakPolarHBondContact CD-O 3.48Å; Y349-Q352 PolarHBondContact O-N 3.31Å; F350-Q352 VanDerWaalsContact C-N 3.32Å; Q352-D354 VanDerWaalsContact C-N 3.33Å; Q352-D354 PolarHBondContact O-N 2.93Å; Q352-E356 HydrophobicContact CG-CB 4.21Å; Q352-E356 PolarHBondContact NE2-OE2 2.92Å; Q352-E356 WeakPolarHBondContact O-CB 3.35Å; Q352-E356 PolarHBondContact O-N 2.83Å; Q352-E356 VanDerWaalsContact O-N 3.14Å
353G98.7Very high98.8Very high1 Ų133 Ų331%0.0117%0.165CC..Iπ-helixtrans-54.9-45.3-175.300000113.3Y349 F350 S357Y349-G353 PolarHBondContact O-N 2.92Å; F350-G353 PolarHBondContact O-N 3.33Å; G353-S357 VanDerWaalsContact O-CB 3.24Å; G353-S357 WeakPolarHBondContact O-CB 3.39Å; G353-S357 PolarHBondContact O-OG 2.76Å
354D98.9Very high98.7Very high4 Ų435.1 Ų35.12%0.02117%0.173CC..Iπ-helixtrans-87-55.8-178.1-160-36.6000111.5F350 Q352 E356 S357 N358 V377 I496F350-D354 WeakPolarHBondContact O-CB 3.25Å; F350-D354 PolarHBondContact O-N 3.15Å; Q352-D354 VanDerWaalsContact C-N 3.33Å; Q352-D354 PolarHBondContact O-N 2.93Å; D354-E356 PolarHBondContact O-N 3.46Å; D354-S357 WeakPolarHBondContact O-CB 3.39Å; D354-S357 PolarHBondContact O-N 3.16Å; D354-S357 VanDerWaalsContact O-N 3.14Å; D354-N358 PolarHBondContact O-N 3.03Å; D354-V377 HydrophobicContact CB-CG2 3.65Å; D354-I496 HydrophobicContact CB-CD1 3.95Å; D354-I496 HydrophobicContact CB-CG1 4.06Å
355M98.9Very high98.6Very high68 Ų6836.7 Ų36.734%0.33518%0.183SC..Iπ-helixtrans-71-37.9-168.5-52.7169.459.200112.5Q351 S357 G359 P375 I376 V377Q351-M355 HydrophobicContact CB-SD 4.14Å; Q351-M355 HydrophobicContact CG-SD 4.11Å; Q351-M355 WeakPolarHBondContact O-CB 3.16Å; Q351-M355 VanDerWaalsContact O-CG 3.23Å; Q351-M355 WeakPolarHBondContact O-CG 3.21Å; Q351-M355 PolarHBondContact O-N 3.48Å; M355-S357 VanDerWaalsContact C-N 3.28Å; M355-S357 PolarHBondContact O-N 3.38Å; M355-G359 VanDerWaalsContact O-CA 3.26Å; M355-G359 WeakPolarHBondContact O-CA 3.35Å; M355-G359 PolarHBondContact O-N 3.29Å; M355-P375 WeakPolarHBondContact CG-O 3.39Å; M355-I376 HydrophobicContact CE-CG1 4.47Å; M355-I376 HydrophobicContact CE-CG2 4.28Å; M355-V377 HydrophobicContact CG-CB 4.28Å; M355-V377 HydrophobicContact CG-CG2 4.34Å; M355-V377 HydrophobicContact SD-CB 4.26Å; M355-V377 PolarHBondContact SD-N 3.28Å
356E98.7Very high98.5Very high56 Ų5635.6 Ų35.626%0.26220%0.197SC..Iπ-helixtrans-72.3-26.3176.1-164.7-176.9-114.300111.4R271 Q352 D354 K360 Q510R271-E356 WeakPolarHBondContact CD-OE2 3.28Å; R271-E356 IonicContact CZ-OE2 3.27Å; R271-E356 IonicContact NE-OE2 3.25Å; R271-E356 IonicContact NH1-OE2 3.45Å; R271-E356 PolarHBondContact NH1-OE2 3.36Å; Q352-E356 HydrophobicContact CG-CB 4.21Å; Q352-E356 PolarHBondContact NE2-OE2 2.92Å; Q352-E356 WeakPolarHBondContact O-CB 3.35Å; Q352-E356 PolarHBondContact O-N 2.83Å; Q352-E356 VanDerWaalsContact O-N 3.14Å; D354-E356 PolarHBondContact O-N 3.46Å; E356-K360 WeakPolarHBondContact O-CE 3.42Å; E356-K360 PolarHBondContact O-NZ 2.95Å; E356-Q510 HydrophobicContact CG-CB 4Å
357S98.9Very high98.5Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-74.8-56.2174.4-62.80000111.8R271 Y272 G353 D354 M355 K360 S507R271-S357 WeakPolarHBondContact CD-OG 3.43Å; R271-S357 PolarHBondContact NE-OG 3.32Å; Y272-S357 PolarHBondContact OH-OG 3.17Å; G353-S357 VanDerWaalsContact O-CB 3.24Å; G353-S357 WeakPolarHBondContact O-CB 3.39Å; G353-S357 PolarHBondContact O-OG 2.76Å; D354-S357 WeakPolarHBondContact O-CB 3.39Å; D354-S357 PolarHBondContact O-N 3.16Å; D354-S357 VanDerWaalsContact O-N 3.14Å; M355-S357 VanDerWaalsContact C-N 3.28Å; M355-S357 PolarHBondContact O-N 3.38Å; S357-K360 VanDerWaalsContact O-CE 3.29Å; S357-K360 WeakPolarHBondContact O-CE 3.25Å; S357-K360 VanDerWaalsContact O-CG 3.3Å; S357-K360 WeakPolarHBondContact O-CG 3.45Å; S357-K360 PolarHBondContact O-NZ 3Å; S357-S507 VanDerWaalsContact CA-O 3.29Å; S357-S507 WeakPolarHBondContact CA-O 3.41Å; S357-S507 VanDerWaalsContact CB-O 3.24Å; S357-S507 WeakPolarHBondContact CB-O 3.35Å; S357-S507 WeakPolarHBondContact O-CA 3.14Å; S357-S507 PolarHBondContact OG-O 3.24Å
358N98.9Very high98.5Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-109.1-3.1-163.9-71.3-12.7000114.4D354 K360 T373 G374 I496 W503 I505 S507D354-N358 PolarHBondContact O-N 3.03Å; N358-K360 PolarHBondContact O-N 3.38Å; N358-T373 WeakPolarHBondContact O-CB 3.39Å; N358-T373 PolarHBondContact O-OG1 3.42Å; N358-G374 WeakPolarHBondContact O-CA 3.31Å; N358-G374 PolarHBondContact O-N 3.13Å; N358-I496 WeakPolarHBondContact ND2-CG2 3.42Å; N358-I496 PolarHBondContact ND2-O 2.89Å; N358-W503 HydrophobicContact CB-CE3 4.24Å; N358-W503 HydrophobicContact CB-CZ3 3.77Å; N358-I505 HydrophobicContact CB-CD1 4.02Å; N358-I505 WeakPolarHBondContact O-CD1 3.34Å; N358-S507 PolarHBondContact OD1-OG 2.89Å
359G98.8Very high98.4Very high51 Ų5147.8 Ų47.853%0.52625%0.253SS..  trans-70.461.3168.600000112.1M355M355-G359 VanDerWaalsContact O-CA 3.26Å; M355-G359 WeakPolarHBondContact O-CA 3.35Å; M355-G359 PolarHBondContact O-N 3.29Å
360K98.8Very high98.4Very high32 Ų3251.9 Ų51.914%0.13928%0.282CS..  trans-127.1154.7-172.1-52-65.1167.966.90110.6E356 S357 N358 T373 I505 N506 D509E356-K360 WeakPolarHBondContact O-CE 3.42Å; E356-K360 PolarHBondContact O-NZ 2.95Å; S357-K360 VanDerWaalsContact O-CE 3.29Å; S357-K360 WeakPolarHBondContact O-CE 3.25Å; S357-K360 VanDerWaalsContact O-CG 3.3Å; S357-K360 WeakPolarHBondContact O-CG 3.45Å; S357-K360 PolarHBondContact O-NZ 3Å; N358-K360 PolarHBondContact O-N 3.38Å; K360-T373 WeakPolarHBondContact O-CB 3.38Å; K360-T373 VanDerWaalsContact O-CG2 3.31Å; K360-T373 WeakPolarHBondContact O-CG2 3.43Å; K360-T373 PolarHBondContact O-OG1 3.38Å; K360-I505 HydrophobicContact CB-CB 3.98Å; K360-I505 HydrophobicContact CB-CD1 3.87Å; K360-I505 HydrophobicContact CB-CG1 4.5Å; K360-I505 HydrophobicContact CB-CG2 4.06Å; K360-I505 HydrophobicContact CG-CB 4.48Å; K360-I505 HydrophobicContact CG-CD1 4.07Å; K360-N506 PolarHBondContact NZ-O 3.43Å; K360-D509 WeakPolarHBondContact CE-OD1 3.38Å; K360-D509 PolarHBondContact NZ-O 3.16Å; K360-D509 IonicContact NZ-OD1 2.7Å; K360-D509 PolarHBondContact NZ-OD1 3.13Å
361Y98.6Very high98.3Very high144 Ų14452.8 Ų52.857%0.56529%0.286SS*.  trans-129.8-2.6-179.475.3-83.1000113.9Q368 V369Y361-Q368 HydrophobicContact CD2-CB 4.47Å; Y361-Q368 HydrophobicContact CD2-CG 3.89Å; Y361-Q368 HydrophobicContact CE2-CG 3.96Å; Y361-Q368 CarbonylContact O-C 3.47Å; Y361-Q368 VanDerWaalsContact O-CA 3.27Å; Y361-Q368 WeakPolarHBondContact O-CA 3.35Å; Y361-V369 PolarHBondContact O-N 3.02Å
362V98.7Very high98.2Very high55 Ų5552.5 Ų52.533%0.33329%0.29SS..BIsolated β-bridgetrans-113131.4-179.1-176.40000109.5
363R98Very high98.2Very high21 Ų2152.4 Ų52.48%0.07929%0.291CS..BIsolated β-bridgetrans-83.5169.5179.6-65.9-173.7-79.6142.1-11.5112.5S2 N365 G366 E367 V369 Y371 D504S2-R363 VanDerWaalsContact CA-NH1 3.33Å; R363-N365 WeakPolarHBondContact CB-OD1 3.43Å; R363-N365 PolarHBondContact NH1-ND2 3.16Å; R363-N365 PolarHBondContact O-N 3.08Å; R363-N365 VanDerWaalsContact O-N 3.12Å; R363-G366 PolarHBondContact O-N 2.88Å; R363-E367 WeakPolarHBondContact CB-O 3.49Å; R363-E367 IonicContact CZ-OE2 3.72Å; R363-E367 VanDerWaalsContact CZ-OE2 3.31Å; R363-E367 PolarHBondContact N-O 3.44Å; R363-E367 IonicContact NH1-OE2 3.39Å; R363-E367 PolarHBondContact NH1-OE2 3.24Å; R363-E367 VanDerWaalsContact NH2-CB 3.33Å; R363-E367 IonicContact NH2-OE2 2.85Å; R363-E367 PolarHBondContact NH2-OE2 3.37Å; R363-V369 HydrophobicContact CG-CG1 3.64Å; R363-Y371 VanDerWaalsContact CD-OH 3.32Å; R363-Y371 WeakPolarHBondContact CD-OH 3.19Å; R363-D504 CarbonylContact C-O 3.54Å; R363-D504 WeakPolarHBondContact CA-O 3.44Å; R363-D504 HydrophobicContact CB-CB 4.2Å; R363-D504 WeakPolarHBondContact CB-O 3.23Å; R363-D504 HydrophobicContact CG-CB 3.98Å
364R97.3Very high98.2Very high45 Ų4553.3 Ų53.317%0.1730%0.301CS..THydrogen-bonded Turntrans-50.6-33.2173.1-85.3167.9-166.662.55.4114.4F91 G366 I501 D504 I505F91-R364 HydrophobicContact CD1-CG 3.78Å; F91-R364 HydrophobicContact CE1-CB 4.35Å; F91-R364 HydrophobicContact CE1-CG 3.22Å; F91-R364 HydrophobicContact CE2-CB 4.43Å; F91-R364 HydrophobicContact CE2-CG 4.07Å; F91-R364 HydrophobicContact CG-CG 4.43Å; F91-R364 HydrophobicContact CZ-CB 4.09Å; F91-R364 HydrophobicContact CZ-CG 3.38Å; R364-G366 VanDerWaalsContact C-N 3.31Å; R364-I501 VanDerWaalsContact NH2-CD1 3.29Å; R364-D504 WeakPolarHBondContact CD-OD1 3.21Å; R364-D504 PolarHBondContact N-O 2.89Å; R364-D504 VanDerWaalsContact NH1-CA 3.26Å; R364-D504 PolarHBondContact NH1-O 2.84Å; R364-D504 IonicContact NH1-OD1 3.05Å; R364-D504 PolarHBondContact NH1-OD1 2.88Å; R364-I505 VanDerWaalsContact NH1-C 3.29Å; R364-I505 PolarHBondContact NH1-O 3.37Å; R364-I505 PolarHBondContact NH2-O 3.38Å
365N96.7Very high98.2Very high85 Ų8553.5 Ų53.546%0.45530%0.302SS..THydrogen-bonded Turntrans-86.64.9179.171.9-17.9000114.1R363 E367R363-N365 WeakPolarHBondContact CB-OD1 3.43Å; R363-N365 PolarHBondContact NH1-ND2 3.16Å; R363-N365 PolarHBondContact O-N 3.08Å; R363-N365 VanDerWaalsContact O-N 3.12Å; N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact ND2-OE2 2.85Å; N365-E367 PolarHBondContact O-N 3.49Å; N365-E367 WeakPolarHBondContact OD1-CB 3.43Å; N365-E367 PolarHBondContact OD1-N 3.22Å
366G97.6Very high98.2Very high57 Ų5754.3 Ų54.359%0.58831%0.306SS*.SBendtrans83.3-4.3-179.500000115R363 R364R363-G366 PolarHBondContact O-N 2.88Å; R364-G366 VanDerWaalsContact C-N 3.31Å
367E98Very high98.3Very high106 Ų10651.7 Ų51.750%0.49529%0.294SS..PPolyproline II helixtrans-82.4149.3176.8-64.4176.6159.300111.3R363 N365R363-E367 WeakPolarHBondContact CB-O 3.49Å; R363-E367 IonicContact CZ-OE2 3.72Å; R363-E367 VanDerWaalsContact CZ-OE2 3.31Å; R363-E367 PolarHBondContact N-O 3.44Å; R363-E367 IonicContact NH1-OE2 3.39Å; R363-E367 PolarHBondContact NH1-OE2 3.24Å; R363-E367 VanDerWaalsContact NH2-CB 3.33Å; R363-E367 IonicContact NH2-OE2 2.85Å; R363-E367 PolarHBondContact NH2-OE2 3.37Å; N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact ND2-OE2 2.85Å; N365-E367 PolarHBondContact O-N 3.49Å; N365-E367 WeakPolarHBondContact OD1-CB 3.43Å; N365-E367 PolarHBondContact OD1-N 3.22Å
368Q98.3Very high98.3Very high136 Ų13654.3 Ų54.364%0.63630%0.304SS*.BIsolated β-bridgetrans-68.7151.6173.1-63.4-173.2-3.200111.4Y361Y361-Q368 HydrophobicContact CD2-CB 4.47Å; Y361-Q368 HydrophobicContact CD2-CG 3.89Å; Y361-Q368 HydrophobicContact CE2-CG 3.96Å; Y361-Q368 CarbonylContact O-C 3.47Å; Y361-Q368 VanDerWaalsContact O-CA 3.27Å; Y361-Q368 WeakPolarHBondContact O-CA 3.35Å
369V98.1Very high98.2Very high29 Ų2954.9 Ų54.918%0.17631%0.31CS..PPolyproline II helixtrans-75149.4170.9-59.90000110.4Y361 R363 Y371 T373 I505Y361-V369 PolarHBondContact O-N 3.02Å; R363-V369 HydrophobicContact CG-CG1 3.64Å; V369-Y371 HydrophobicContact CB-CD1 4.32Å; V369-Y371 HydrophobicContact CB-CD2 4.14Å; V369-Y371 HydrophobicContact CB-CE1 4.11Å; V369-Y371 HydrophobicContact CB-CE2 3.91Å; V369-Y371 HydrophobicContact CB-CG 4.36Å; V369-Y371 HydrophobicContact CG1-CD2 4.43Å; V369-Y371 HydrophobicContact CG1-CE1 4.34Å; V369-Y371 HydrophobicContact CG1-CE2 3.74Å; V369-Y371 WeakPolarHBondContact CG2-O 3.45Å; V369-T373 HydrophobicContact CG1-CG2 4.26Å; V369-T373 HydrophobicContact CG2-CG2 4.24Å; V369-I505 HydrophobicContact CG1-CG2 4.23Å
370S97.1Very high98.3Very high91 Ų9157.1 Ų57.164%0.63631%0.307SS*.SBendtrans-114.124.7172.262.20000111.9V4V4-S370 WeakPolarHBondContact CG2-OG 3.32Å
371Y97.5Very high98.3Very high23 Ų2355.8 Ų55.89%0.0930%0.301CS..SBendtrans-147.3163.7-174.747.4-93.5000109.4L3 V4 R363 V369 T373 W503L3-Y371 HydrophobicContact CB-CD1 4.11Å; L3-Y371 HydrophobicContact CB-CD2 4.46Å; L3-Y371 HydrophobicContact CB-CE1 3.58Å; L3-Y371 HydrophobicContact CB-CE2 4Å; L3-Y371 HydrophobicContact CB-CG 4.5Å; L3-Y371 VanDerWaalsContact CB-CZ 3.49Å; L3-Y371 HydrophobicContact CD2-CD2 4.02Å; L3-Y371 HydrophobicContact CD2-CE2 4.04Å; L3-Y371 HydrophobicContact CD2-CG 4.38Å; V4-Y371 HydrophobicContact CG1-CD1 3.7Å; V4-Y371 HydrophobicContact CG1-CG 4.33Å; V4-Y371 HydrophobicContact CG2-CD1 4.41Å; R363-Y371 VanDerWaalsContact CD-OH 3.32Å; R363-Y371 WeakPolarHBondContact CD-OH 3.19Å; V369-Y371 HydrophobicContact CB-CD1 4.32Å; V369-Y371 HydrophobicContact CB-CD2 4.14Å; V369-Y371 HydrophobicContact CB-CE1 4.11Å; V369-Y371 HydrophobicContact CB-CE2 3.91Å; V369-Y371 HydrophobicContact CB-CG 4.36Å; V369-Y371 HydrophobicContact CG1-CD2 4.43Å; V369-Y371 HydrophobicContact CG1-CE1 4.34Å; V369-Y371 HydrophobicContact CG1-CE2 3.74Å; V369-Y371 WeakPolarHBondContact CG2-O 3.45Å; Y371-T373 HydrophobicContact CD2-CG2 4.43Å; Y371-T373 HydrophobicContact CE2-CG2 4.34Å; Y371-W503 AromaticContact CD2-CD1 3.95Å; Y371-W503 HydrophobicContact CE2-CB 4.04Å; Y371-W503 AromaticContact CE2-CD1 3.82Å; Y371-W503 HydrophobicContact CE2-CG 4.25Å; Y371-W503 PolarHBondContact OH-O 2.88Å
372T97.9Very high98.2Very high75 Ų7549.2 Ų49.246%0.4628%0.278SS..  trans-71.6146.9176.245.10000112H326 N327 W503H326-T372 PolarHBondContact O-OG1 3.16Å; N327-T372 PolarHBondContact ND2-O 2.7Å; N327-T372 PolarHBondContact ND2-OG1 3.33Å; T372-W503 PolarHBondContact O-NE1 2.81Å
373T98.8Very high98.2Very high21 Ų2148.4 Ų48.413%0.12927%0.273CS..  trans-117.5-132.2177.155.50000110.5N358 K360 V369 Y371 W503 I505N358-T373 WeakPolarHBondContact O-CB 3.39Å; N358-T373 PolarHBondContact O-OG1 3.42Å; K360-T373 WeakPolarHBondContact O-CB 3.38Å; K360-T373 VanDerWaalsContact O-CG2 3.31Å; K360-T373 WeakPolarHBondContact O-CG2 3.43Å; K360-T373 PolarHBondContact O-OG1 3.38Å; V369-T373 HydrophobicContact CG1-CG2 4.26Å; V369-T373 HydrophobicContact CG2-CG2 4.24Å; Y371-T373 HydrophobicContact CD2-CG2 4.43Å; Y371-T373 HydrophobicContact CE2-CG2 4.34Å; T373-W503 VanDerWaalsContact C-CH2 3.4Å; T373-W503 HydrophobicContact CG2-CB 4.19Å; T373-W503 HydrophobicContact CG2-CD2 4.34Å; T373-W503 HydrophobicContact CG2-CG 4.13Å; T373-W503 VanDerWaalsContact O-CH2 3.24Å; T373-W503 WeakPolarHBondContact O-CH2 3.28Å; T373-W503 VanDerWaalsContact O-CZ2 3.28Å; T373-W503 WeakPolarHBondContact O-CZ2 3.26Å; T373-I505 HydrophobicContact CG2-CD1 4.44Å; T373-I505 HydrophobicContact CG2-CG2 4.24Å
374G98.6Very high98.2Very high21 Ų2152 Ų5222%0.21629%0.294CS..SBendtrans-57.3137.7-174.400000112.9N358N358-G374 WeakPolarHBondContact O-CA 3.31Å; N358-G374 PolarHBondContact O-N 3.13Å
375P98.9Very high98.3Very high7 Ų749.9 Ų49.95%0.04529%0.286CS..  trans-77.8166.5178.634.6-36.8000111.8H326 E332 H334 M355 V377H326-P375 VanDerWaalsContact CE1-CB 3.45Å; H326-P375 WeakPolarHBondContact CE1-CB 3.14Å; E332-P375 WeakPolarHBondContact O-CA 3.41Å; H334-P375 HydrophobicContact CB-CB 4.13Å; H334-P375 HydrophobicContact CB-CG 3.85Å; M355-P375 WeakPolarHBondContact CG-O 3.39Å; P375-V377 HydrophobicContact CG-CG2 4.32Å; P375-V377 PolarHBondContact O-N 3.36Å
376I98.9Very high98.4Very high85 Ų8547.3 Ų47.344%0.43627%0.271SS..EExtended strand (participates in β ladder)trans-74.4113.2162.4-62.2166.7000108.2E332 T333 H334 M355E332-I376 PolarHBondContact O-N 3.47Å; T333-I376 CarbonylContact C-O 3.54Å; T333-I376 WeakPolarHBondContact CA-O 3.43Å; T333-I376 WeakPolarHBondContact CB-O 3.07Å; T333-I376 HydrophobicContact CG2-CB 4.15Å; H334-I376 PolarHBondContact N-O 3.25Å; M355-I376 HydrophobicContact CE-CG1 4.47Å; M355-I376 HydrophobicContact CE-CG2 4.28Å
377V98.9Very high98.4Very high1 Ų152.3 Ų52.31%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-87.2136.6175.4177.40000110.2H334 L336 F350 Q351 D354 M355 P375H334-V377 WeakPolarHBondContact O-CA 3.46Å; L336-V377 HydrophobicContact CD1-CG1 3.81Å; L336-V377 HydrophobicContact CG-CG1 4.09Å; F350-V377 HydrophobicContact CB-CG1 4.39Å; Q351-V377 HydrophobicContact CG-CB 4.32Å; Q351-V377 HydrophobicContact CG-CG1 4.38Å; Q351-V377 WeakPolarHBondContact CG-O 3.47Å; Q351-V377 PolarHBondContact NE2-O 3.27Å; Q351-V377 VanDerWaalsContact NE2-O 3.11Å; D354-V377 HydrophobicContact CB-CG2 3.65Å; M355-V377 HydrophobicContact CG-CB 4.28Å; M355-V377 HydrophobicContact CG-CG2 4.34Å; M355-V377 HydrophobicContact SD-CB 4.26Å; M355-V377 PolarHBondContact SD-N 3.28Å; P375-V377 HydrophobicContact CG-CG2 4.32Å; P375-V377 PolarHBondContact O-N 3.36Å
378W98.9Very high98.5Very high56 Ų5650.9 Ų50.921%0.21229%0.285CS..EExtended strand (participates in β ladder)trans-158.2172178.366.8-74.2000111.1H334 A335 L336 F389 I393 I400H334-W378 PolarHBondContact O-N 3.45Å; A335-W378 CarbonylContact C-O 3.51Å; A335-W378 VanDerWaalsContact CA-O 3.25Å; A335-W378 WeakPolarHBondContact CA-O 3.4Å; A335-W378 HydrophobicContact CB-CZ2 4.26Å; L336-W378 PolarHBondContact N-O 2.82Å; W378-F389 HydrophobicContact CE3-CE2 4.38Å; W378-F389 HydrophobicContact CE3-CZ 4.46Å; W378-F389 HydrophobicContact CH2-CB 4.47Å; W378-F389 AromaticContact CH2-CD2 3.44Å; W378-F389 HydrophobicContact CH2-CD2 3.44Å; W378-F389 VanDerWaalsContact CH2-CD2 3.44Å; W378-F389 AromaticContact CH2-CE2 3.75Å; W378-F389 HydrophobicContact CH2-CE2 3.75Å; W378-F389 HydrophobicContact CH2-CG 4.02Å; W378-F389 HydrophobicContact CZ3-CB 4.31Å; W378-F389 AromaticContact CZ3-CD1 3.97Å; W378-F389 HydrophobicContact CZ3-CD1 3.97Å; W378-F389 AromaticContact CZ3-CD2 3.31Å; W378-F389 HydrophobicContact CZ3-CD2 3.31Å; W378-F389 HydrophobicContact CZ3-CE1 4.06Å; W378-F389 AromaticContact CZ3-CE2 3.4Å; W378-F389 HydrophobicContact CZ3-CE2 3.4Å; W378-F389 VanDerWaalsContact CZ3-CE2 3.4Å; W378-F389 AromaticContact CZ3-CG 3.61Å; W378-F389 HydrophobicContact CZ3-CG 3.61Å; W378-F389 AromaticContact CZ3-CZ 3.8Å; W378-F389 HydrophobicContact CZ3-CZ 3.8Å; W378-I393 HydrophobicContact CH2-CD1 4.18Å; W378-I393 HydrophobicContact CH2-CG1 4.35Å; W378-I400 HydrophobicContact CZ2-CD1 4.21Å; W378-I400 HydrophobicContact CZ2-CG2 4.07Å
379G98.8Very high98.5Very high12 Ų1246.2 Ų46.212%0.12426%0.262CS..  trans149.2165.3173.200000112.8L336L336-G379 WeakPolarHBondContact O-CA 3.45Å
380E98.8Very high98.5Very high97 Ų9745 Ų4545%0.45326%0.255SS..  trans-140.9158.4177.5-75.7-65.6159.800109.1F389E380-F389 HydrophobicContact CB-CE1 3.81Å; E380-F389 HydrophobicContact CB-CZ 4.03Å; E380-F389 HydrophobicContact CG-CE1 4.04Å
381P98.8Very high98.6Very high4 Ų446.3 Ų46.33%0.02625%0.251CS..  trans-57.4144.4-180-28.337.1000114.7P338 H344 N384 G385P338-P381 CarbonylContact O-C 3.52Å; P338-P381 WeakPolarHBondContact O-CA 3.07Å; P338-P381 WeakPolarHBondContact O-CB 3.4Å; H344-P381 HydrophobicContact CB-CG 3.73Å; P381-N384 WeakPolarHBondContact O-CB 3.25Å; P381-N384 PolarHBondContact O-N 2.86Å; P381-N384 VanDerWaalsContact O-N 3.16Å; P381-G385 PolarHBondContact O-N 3.21Å; P381-G385 VanDerWaalsContact O-N 3.08Å
382G98Very high98.6Very high6 Ų649.5 Ų49.56%0.06227%0.269CS..THydrogen-bonded Turntrans-74.7144.2162.400000110.6P338P338-G382 PolarHBondContact O-N 2.7Å
383T98.6Very high98.7Very high38 Ų3846 Ų4623%0.23325%0.248CC..THydrogen-bonded Turncis-89.1-2.33.960.60000113.9Y339 G385 Q386 L423 N426Y339-T383 HydrophobicContact CD1-CG2 4.49Å; Y339-T383 HydrophobicContact CE1-CG2 4.13Å; T383-G385 VanDerWaalsContact C-N 3.29Å; T383-G385 PolarHBondContact O-N 3.18Å; T383-Q386 WeakPolarHBondContact O-CA 3.19Å; T383-Q386 WeakPolarHBondContact O-CB 3.05Å; T383-Q386 WeakPolarHBondContact O-CG 3.48Å; T383-Q386 PolarHBondContact O-N 3.21Å; T383-L423 HydrophobicContact CG2-CD1 4.02Å; T383-N426 HydrophobicContact CG2-CB 3.73Å
384N98.7Very high98.7Very high98 Ų9845.8 Ų45.852%0.52425%0.245SC..G310 helixtrans-54.2-42.5-174.2-60.343.7000112.6P381 Q386 H387 A388P381-N384 WeakPolarHBondContact O-CB 3.25Å; P381-N384 PolarHBondContact O-N 2.86Å; P381-N384 VanDerWaalsContact O-N 3.16Å; N384-Q386 PolarHBondContact O-N 3Å; N384-Q386 VanDerWaalsContact O-N 3.16Å; N384-H387 PolarHBondContact O-N 3.22Å; N384-A388 PolarHBondContact O-N 3.35Å
385G98.5Very high98.7Very high0 Ų047.9 Ų47.90%025%0.249CC..G310 helixtrans-55.9-31.217600000114.2P381 T383 H387 A388 F389 Y390P381-G385 PolarHBondContact O-N 3.21Å; P381-G385 VanDerWaalsContact O-N 3.08Å; T383-G385 VanDerWaalsContact C-N 3.29Å; T383-G385 PolarHBondContact O-N 3.18Å; G385-H387 PolarHBondContact O-N 3.27Å; G385-A388 PolarHBondContact O-N 3.46Å; G385-A388 VanDerWaalsContact O-N 3.13Å; G385-F389 PolarHBondContact O-N 2.93Å; G385-Y390 WeakPolarHBondContact O-CD1 3.4Å; G385-Y390 PolarHBondContact O-N 3.07Å
386Q98.6Very high98.7Very high30 Ų3048.6 Ų48.614%0.1426%0.258CS..G310 helixtrans-62.1-32.4177.6-56.6-179.82900112.3Y339 T383 N384 Y390 N426 Q430Y339-Q386 PolarHBondContact OH-NE2 3.4Å; T383-Q386 WeakPolarHBondContact O-CA 3.19Å; T383-Q386 WeakPolarHBondContact O-CB 3.05Å; T383-Q386 WeakPolarHBondContact O-CG 3.48Å; T383-Q386 PolarHBondContact O-N 3.21Å; N384-Q386 PolarHBondContact O-N 3Å; N384-Q386 VanDerWaalsContact O-N 3.16Å; Q386-Y390 HydrophobicContact CB-CD2 4.2Å; Q386-Y390 HydrophobicContact CB-CG 4.41Å; Q386-Y390 HydrophobicContact CG-CD2 3.69Å; Q386-Y390 HydrophobicContact CG-CE2 3.63Å; Q386-Y390 HydrophobicContact CG-CG 4.31Å; Q386-N426 PolarHBondContact OE1-OD1 3.17Å; Q386-Q430 VanDerWaalsContact CD-NE2 3.3Å; Q386-Q430 HydrophobicContact CG-CG 4.07Å
387H98.5Very high98.6Very high163 Ų16351.4 Ų51.476%0.75528%0.279SS*.G310 helixtrans-98.29.3-179-60.6-85.4000112.9N384 G385N384-H387 PolarHBondContact O-N 3.22Å; G385-H387 PolarHBondContact O-N 3.27Å
388A98.4Very high98.6Very high75 Ų7558.2 Ų58.262%0.6231%0.305SS*.THydrogen-bonded Turntrans-122.3-64.1-179.500000112.1N384 G385N384-A388 PolarHBondContact O-N 3.35Å; G385-A388 PolarHBondContact O-N 3.46Å; G385-A388 VanDerWaalsContact O-N 3.13Å
389F98.7Very high98.5Very high38 Ų3858.5 Ų58.517%0.16731%0.309CS..THydrogen-bonded Turntrans-129.2-4.7-168.853.9-105000114.6L337 W378 E380 G385 Q391 L392 I393L337-F389 HydrophobicContact CD2-CE2 3.87Å; L337-F389 HydrophobicContact CD2-CZ 3.95Å; W378-F389 HydrophobicContact CE3-CE2 4.38Å; W378-F389 HydrophobicContact CE3-CZ 4.46Å; W378-F389 HydrophobicContact CH2-CB 4.47Å; W378-F389 AromaticContact CH2-CD2 3.44Å; W378-F389 HydrophobicContact CH2-CD2 3.44Å; W378-F389 VanDerWaalsContact CH2-CD2 3.44Å; W378-F389 AromaticContact CH2-CE2 3.75Å; W378-F389 HydrophobicContact CH2-CE2 3.75Å; W378-F389 HydrophobicContact CH2-CG 4.02Å; W378-F389 HydrophobicContact CZ3-CB 4.31Å; W378-F389 AromaticContact CZ3-CD1 3.97Å; W378-F389 HydrophobicContact CZ3-CD1 3.97Å; W378-F389 AromaticContact CZ3-CD2 3.31Å; W378-F389 HydrophobicContact CZ3-CD2 3.31Å; W378-F389 HydrophobicContact CZ3-CE1 4.06Å; W378-F389 AromaticContact CZ3-CE2 3.4Å; W378-F389 HydrophobicContact CZ3-CE2 3.4Å; W378-F389 VanDerWaalsContact CZ3-CE2 3.4Å; W378-F389 AromaticContact CZ3-CG 3.61Å; W378-F389 HydrophobicContact CZ3-CG 3.61Å; W378-F389 AromaticContact CZ3-CZ 3.8Å; W378-F389 HydrophobicContact CZ3-CZ 3.8Å; E380-F389 HydrophobicContact CB-CE1 3.81Å; E380-F389 HydrophobicContact CB-CZ 4.03Å; E380-F389 HydrophobicContact CG-CE1 4.04Å; G385-F389 PolarHBondContact O-N 2.93Å; F389-Q391 PolarHBondContact O-N 2.79Å; F389-Q391 VanDerWaalsContact O-N 3.16Å; F389-L392 WeakPolarHBondContact O-CB 3.38Å; F389-L392 PolarHBondContact O-N 2.82Å; F389-I393 HydrophobicContact CD2-CD1 3.84Å; F389-I393 HydrophobicContact CD2-CG1 4.39Å; F389-I393 HydrophobicContact CE2-CD1 3.99Å; F389-I393 PolarHBondContact O-N 3.49Å
390Y98.7Very high98.6Very high3 Ų358.2 Ų58.21%0.01231%0.305CS..Hα-helixtrans-64.7-21178.5-80.735.4000112.6L337 G385 Q386 L392 I393 H394 F404 Q430L337-Y390 HydrophobicContact CD1-CE1 3.96Å; L337-Y390 WeakPolarHBondContact CD1-OH 3.43Å; L337-Y390 HydrophobicContact CD2-CE1 4.15Å; G385-Y390 WeakPolarHBondContact O-CD1 3.4Å; G385-Y390 PolarHBondContact O-N 3.07Å; Q386-Y390 HydrophobicContact CB-CD2 4.2Å; Q386-Y390 HydrophobicContact CB-CG 4.41Å; Q386-Y390 HydrophobicContact CG-CD2 3.69Å; Q386-Y390 HydrophobicContact CG-CE2 3.63Å; Q386-Y390 HydrophobicContact CG-CG 4.31Å; Y390-L392 VanDerWaalsContact C-N 3.26Å; Y390-L392 PolarHBondContact O-N 2.91Å; Y390-I393 HydrophobicContact CD1-CD1 3.76Å; Y390-I393 HydrophobicContact CE1-CD1 4.1Å; Y390-I393 HydrophobicContact CG-CD1 4.29Å; Y390-I393 PolarHBondContact O-N 3.11Å; Y390-I393 VanDerWaalsContact O-N 3.16Å; Y390-H394 WeakPolarHBondContact O-CB 3.3Å; Y390-H394 PolarHBondContact O-CD2 3.01Å; Y390-H394 VanDerWaalsContact O-CD2 3.31Å; Y390-H394 PolarHBondContact O-N 2.97Å; Y390-F404 AromaticContact CE2-CE1 3.95Å; Y390-F404 HydrophobicContact CE2-CE1 3.95Å; Y390-F404 AromaticContact CE2-CZ 3.89Å; Y390-F404 HydrophobicContact CE2-CZ 3.89Å; Y390-F404 WeakPolarHBondContact OH-CE1 3.29Å; Y390-Q430 HydrophobicContact CD2-CG 4.27Å; Y390-Q430 HydrophobicContact CE2-CB 4.25Å; Y390-Q430 HydrophobicContact CE2-CG 3.99Å
391Q98.7Very high98.6Very high119 Ų11953.7 Ų53.756%0.55628%0.284SS*.Hα-helixtrans-52.3-46.2167.5176.259.140.400111.5F389 Q395F389-Q391 PolarHBondContact O-N 2.79Å; F389-Q391 VanDerWaalsContact O-N 3.16Å; Q391-Q395 PolarHBondContact O-N 2.8Å
392L98.8Very high98.6Very high90 Ų9053.6 Ų53.647%0.47128%0.283SS..Hα-helixtrans-68.8-40.8177.7-176.1151.3000111F389 Y390 H394 G396 I400F389-L392 WeakPolarHBondContact O-CB 3.38Å; F389-L392 PolarHBondContact O-N 2.82Å; Y390-L392 VanDerWaalsContact C-N 3.26Å; Y390-L392 PolarHBondContact O-N 2.91Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 3.32Å; L392-G396 WeakPolarHBondContact O-CA 3.42Å; L392-G396 PolarHBondContact O-N 3.22Å; L392-I400 HydrophobicContact CD2-CD1 3.54Å
393I98.8Very high98.6Very high3 Ų353.4 Ų53.42%0.01528%0.281CS..Hα-helixtrans-60.5-46.5177.5-54.8-179000109.9L337 W378 F389 Y390 I400 L434 R470L337-I393 HydrophobicContact CD1-CD1 4.41Å; W378-I393 HydrophobicContact CH2-CD1 4.18Å; W378-I393 HydrophobicContact CH2-CG1 4.35Å; F389-I393 HydrophobicContact CD2-CD1 3.84Å; F389-I393 HydrophobicContact CD2-CG1 4.39Å; F389-I393 HydrophobicContact CE2-CD1 3.99Å; F389-I393 PolarHBondContact O-N 3.49Å; Y390-I393 HydrophobicContact CD1-CD1 3.76Å; Y390-I393 HydrophobicContact CE1-CD1 4.1Å; Y390-I393 HydrophobicContact CG-CD1 4.29Å; Y390-I393 PolarHBondContact O-N 3.11Å; Y390-I393 VanDerWaalsContact O-N 3.16Å; I393-I400 HydrophobicContact CG1-CD1 4.14Å; I393-L434 HydrophobicContact CG2-CD1 4.47Å; I393-L434 HydrophobicContact CG2-CD2 3.65Å; I393-R470 WeakPolarHBondContact O-CD 3.47Å; I393-R470 PolarHBondContact O-NE 2.91Å
394H98.8Very high98.6Very high16 Ų1651.6 Ų51.67%0.07427%0.27CS..Hα-helixtrans-77.5-37.6-175.8-84.9-70.6000115.4Y390 L392 Q430 L434 F466 R470Y390-H394 WeakPolarHBondContact O-CB 3.3Å; Y390-H394 PolarHBondContact O-CD2 3.01Å; Y390-H394 VanDerWaalsContact O-CD2 3.31Å; Y390-H394 PolarHBondContact O-N 2.97Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 3.32Å; H394-Q430 PolarHBondContact NE2-OE1 3.09Å; H394-L434 VanDerWaalsContact CE1-CD2 3.45Å; H394-L434 WeakPolarHBondContact CE1-CD2 3.32Å; H394-F466 HydrophobicContact CB-CD1 3.88Å; H394-F466 HydrophobicContact CB-CE1 3.81Å; H394-F466 AromaticContact ND1-CD1 3.93Å; H394-R470 PolarHBondContact O-NE 3.27Å; H394-R470 PolarHBondContact O-NH1 3.22Å; H394-R470 PolarHBondContact O-NH2 3.12Å
395Q98.7Very high98.6Very high64 Ų6447 Ų4730%0.29925%0.245SC..Hα-helixtrans-131.50.9-170.8-66.2-171.1-57.800113.9Q391 H463 V465 F466Q391-Q395 PolarHBondContact O-N 2.8Å; Q395-H463 PolarHBondContact NE2-O 2.99Å; Q395-V465 PolarHBondContact NE2-O 3.35Å; Q395-F466 HydrophobicContact CG-CD1 4Å; Q395-F466 HydrophobicContact CG-CE1 3.93Å; Q395-F466 HydrophobicContact CG-CZ 4.37Å
396G98.3Very high98.7Very high23 Ų2347.2 Ų47.224%0.23725%0.246CC..SBendtrans-71.7-176.8170.500000113.1L392L392-G396 WeakPolarHBondContact O-CA 3.42Å; L392-G396 PolarHBondContact O-N 3.22Å
397T98.1Very high98.7Very high143 Ų14345.8 Ų45.888%0.87724%0.239SC*.SBendtrans-99.72.3-175.455.10000113.8
398R98.1Very high98.7Very high145 Ų14542.9 Ų42.955%0.54723%0.229SC..  trans-101142.4-178.8-60.2-64.5-172.6155.95110.5E332 I400E332-R398 IonicContact OE1-CZ 2.8Å; E332-R398 IonicContact OE1-NH1 3.79Å; E332-R398 PolarHBondContact OE1-NH1 3.46Å; R398-I400 HydrophobicContact CB-CD1 4.13Å; R398-I400 HydrophobicContact CB-CG1 4.06Å
399M98.4Very high98.7Very high61 Ų6144.5 Ų44.530%0.322%0.223SC..  trans-90.6123.8164.4-177.3175.5-73.200108.4L58 Y325 F329 C331 P471L58-M399 HydrophobicContact CD1-CE 4.12Å; Y325-M399 HydrophobicContact CD1-SD 4.25Å; Y325-M399 HydrophobicContact CE1-SD 4.47Å; F329-M399 HydrophobicContact CB-SD 4.11Å; F329-M399 HydrophobicContact CD1-CE 3.7Å; F329-M399 HydrophobicContact CD1-SD 3.4Å; F329-M399 WeakPolarHBondContact CD1-SD 3.42Å; F329-M399 HydrophobicContact CE1-CE 3.76Å; F329-M399 HydrophobicContact CE1-SD 3.94Å; F329-M399 HydrophobicContact CG-SD 3.83Å; C331-M399 PolarHBondContact SG-O 2.92Å; M399-P471 HydrophobicContact CG-CG 4.45Å
400I98.9Very high98.7Very high7 Ų744.3 Ų44.34%0.03623%0.225CC..  trans-129.2101.1-173.1-59.1161.3000107.6A335 W378 L392 I393 R398 C402A335-I400 HydrophobicContact CB-CG2 3.94Å; W378-I400 HydrophobicContact CZ2-CD1 4.21Å; W378-I400 HydrophobicContact CZ2-CG2 4.07Å; L392-I400 HydrophobicContact CD2-CD1 3.54Å; I393-I400 HydrophobicContact CG1-CD1 4.14Å; R398-I400 HydrophobicContact CB-CD1 4.13Å; R398-I400 HydrophobicContact CB-CG1 4.06Å; I400-C402 PolarHBondContact O-N 3.46Å; I400-C402 PolarHBondContact O-SG 3.16Å
401P98.9Very high98.7Very high2 Ų245.7 Ų45.71%0.01323%0.232CC..  trans-58.3131.4166.4-21.533.6000110Y325 C331 A335Y325-P401 HydrophobicContact CD1-CG 4.21Å; Y325-P401 HydrophobicContact CD2-CB 3.91Å; Y325-P401 HydrophobicContact CD2-CG 3.59Å; Y325-P401 HydrophobicContact CE2-CB 4.42Å; Y325-P401 HydrophobicContact CE2-CG 4.39Å; Y325-P401 HydrophobicContact CG-CB 4.33Å; Y325-P401 HydrophobicContact CG-CG 3.51Å; C331-P401 HydrophobicContact CB-CG 4.12Å; A335-P401 PolarHBondContact N-O 3.22Å
402C99Very high98.6Very high1 Ų144 Ų441%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-127.5133.6-176.9-58.50000111.3A335 L337 I400 F404 P471 T472 T473A335-C402 HydrophobicContact CB-CB 4.31Å; A335-C402 CarbonylContact O-C 3.55Å; A335-C402 WeakPolarHBondContact O-CA 3.47Å; L337-C402 HydrophobicContact CD1-CB 3.85Å; I400-C402 PolarHBondContact O-N 3.46Å; I400-C402 PolarHBondContact O-SG 3.16Å; C402-F404 HydrophobicContact CB-CD2 3.95Å; C402-F404 HydrophobicContact CB-CE2 3.6Å; C402-P471 PolarHBondContact N-O 3.32Å; C402-T472 HydrophobicContact CB-CG2 4.26Å; C402-T472 CarbonylContact O-C 3.48Å; C402-T472 WeakPolarHBondContact O-CA 3.23Å; C402-T473 PolarHBondContact O-N 2.95Å
403D99Very high98.6Very high3 Ų343.8 Ų43.82%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-101.7110.4168.6-60.7-12.4000108.4H334 A335 L336 L337 T473 I475 Y492 K495H334-D403 IonicContact CD2-OD2 3.89Å; H334-D403 VanDerWaalsContact CE1-CG 3.47Å; H334-D403 IonicContact CE1-OD1 3.82Å; H334-D403 PolarHBondContact CE1-OD1 2.88Å; H334-D403 VanDerWaalsContact CE1-OD1 3.27Å; H334-D403 IonicContact CE1-OD2 3.41Å; H334-D403 PolarHBondContact CE1-OD2 3.22Å; H334-D403 VanDerWaalsContact CE1-OD2 3.25Å; H334-D403 IonicContact NE2-OD1 2.76Å; H334-D403 PolarHBondContact NE2-OD1 3.46Å; H334-D403 IonicContact NE2-OD2 3.46Å; H334-D403 PolarHBondContact NE2-OD2 2.91Å; A335-D403 PolarHBondContact O-N 3.06Å; L336-D403 HydrophobicContact CD2-CB 3.87Å; L337-D403 PolarHBondContact N-O 3.4Å; D403-T473 WeakPolarHBondContact OD1-CB 3.33Å; D403-I475 HydrophobicContact CB-CD1 4.28Å; D403-Y492 VanDerWaalsContact CB-OH 3.29Å; D403-Y492 WeakPolarHBondContact CB-OH 3.48Å; D403-Y492 WeakPolarHBondContact OD2-CE1 3.49Å; D403-Y492 PolarHBondContact OD2-OH 3.5Å; D403-K495 IonicContact OD2-NZ 3.68Å
404F98.9Very high98.6Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-89.4129.7173.8-77.4-110.9000108.7L337 Y339 Y390 C402 F427 Q430 T431 L434 T472 T473 I475L337-F404 HydrophobicContact CD1-CD2 4.31Å; L337-F404 HydrophobicContact CD1-CE1 4.4Å; L337-F404 HydrophobicContact CD1-CE2 3.74Å; L337-F404 HydrophobicContact CD1-CZ 3.78Å; Y339-F404 HydrophobicContact CD2-CD1 4.07Å; Y339-F404 AromaticContact CE2-CD1 3.38Å; Y339-F404 HydrophobicContact CE2-CD1 3.38Å; Y339-F404 AromaticContact CE2-CE1 3.58Å; Y339-F404 HydrophobicContact CE2-CE1 3.58Å; Y339-F404 AromaticContact CZ-CD1 3.99Å; Y339-F404 AromaticContact CZ-CE1 3.92Å; Y339-F404 WeakPolarHBondContact OH-CE1 3.48Å; Y390-F404 AromaticContact CE2-CE1 3.95Å; Y390-F404 HydrophobicContact CE2-CE1 3.95Å; Y390-F404 AromaticContact CE2-CZ 3.89Å; Y390-F404 HydrophobicContact CE2-CZ 3.89Å; Y390-F404 WeakPolarHBondContact OH-CE1 3.29Å; C402-F404 HydrophobicContact CB-CD2 3.95Å; C402-F404 HydrophobicContact CB-CE2 3.6Å; F404-F427 HydrophobicContact CB-CD2 3.98Å; F404-F427 HydrophobicContact CB-CE2 3.49Å; F404-F427 VanDerWaalsContact CB-CE2 3.49Å; F404-F427 HydrophobicContact CB-CZ 4.19Å; F404-F427 HydrophobicContact CD1-CD2 4.3Å; F404-Q430 HydrophobicContact CE1-CB 3.76Å; F404-Q430 HydrophobicContact CZ-CB 4.16Å; F404-T431 HydrophobicContact CB-CG2 4.04Å; F404-T431 HydrophobicContact CD1-CG2 3.82Å; F404-T431 HydrophobicContact CD2-CG2 3.64Å; F404-T431 HydrophobicContact CE1-CG2 4.16Å; F404-T431 HydrophobicContact CE2-CG2 3.98Å; F404-T431 HydrophobicContact CG-CG2 3.56Å; F404-T431 HydrophobicContact CZ-CG2 4.24Å; F404-L434 HydrophobicContact CE2-CD1 3.87Å; F404-L434 HydrophobicContact CZ-CD1 3.84Å; F404-T472 HydrophobicContact CD2-CG2 4.05Å; F404-T472 HydrophobicContact CE2-CG2 3.73Å; F404-T473 PolarHBondContact N-O 3.28Å; F404-I475 PolarHBondContact O-N 2.95Å
405I99Very high98.6Very high0 Ų055.4 Ų55.40%028%0.28CS..EExtended strand (participates in β ladder)trans-122.7125.7-177.3-49.1172.7000110L337 P338 Y339 L343 F346 I475 L477 L488 Y492L337-I405 PolarHBondContact O-N 2.84Å; P338-I405 CarbonylContact C-O 3.53Å; P338-I405 HydrophobicContact CB-CB 4.34Å; Y339-I405 PolarHBondContact N-O 3.36Å; L343-I405 HydrophobicContact CD1-CG2 4.4Å; F346-I405 HydrophobicContact CD1-CD1 4Å; F346-I405 HydrophobicContact CE1-CD1 3.52Å; F346-I405 HydrophobicContact CZ-CD1 4.13Å; I405-I475 CarbonylContact C-O 3.25Å; I405-I475 VanDerWaalsContact CA-O 3.25Å; I405-I475 WeakPolarHBondContact CA-O 3.44Å; I405-I475 HydrophobicContact CG1-CB 4.23Å; I405-I475 HydrophobicContact CG1-CD1 4.19Å; I405-I475 HydrophobicContact CG2-CB 4.45Å; I405-I475 HydrophobicContact CG2-CG2 4.37Å; I405-L477 HydrophobicContact CG2-CD1 3.97Å; I405-L477 HydrophobicContact CG2-CG 4.16Å; I405-L488 HydrophobicContact CG2-CD2 4.23Å; I405-Y492 HydrophobicContact CD1-CE2 4.47Å
406L98.9Very high98.5Very high5 Ų560.6 Ų60.63%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-138.2130179.6176.579.1000111.2L423 T424 F427 I475 V476 L477L406-L423 HydrophobicContact CD1-CD2 4.14Å; L406-L423 HydrophobicContact CD1-CG 4.13Å; L406-T424 HydrophobicContact CD2-CG2 3.88Å; L406-F427 HydrophobicContact CB-CD1 4.2Å; L406-F427 HydrophobicContact CB-CD2 3.49Å; L406-F427 VanDerWaalsContact CB-CD2 3.49Å; L406-F427 HydrophobicContact CB-CE1 4.23Å; L406-F427 HydrophobicContact CB-CE2 3.46Å; L406-F427 VanDerWaalsContact CB-CE2 3.46Å; L406-F427 HydrophobicContact CB-CG 3.85Å; L406-F427 HydrophobicContact CB-CZ 3.87Å; L406-F427 HydrophobicContact CD1-CB 4.4Å; L406-F427 HydrophobicContact CD2-CB 4.01Å; L406-F427 HydrophobicContact CD2-CD1 3.72Å; L406-F427 HydrophobicContact CD2-CD2 4.32Å; L406-F427 HydrophobicContact CD2-CE1 4.22Å; L406-F427 HydrophobicContact CD2-CG 3.78Å; L406-F427 HydrophobicContact CG-CD2 4.35Å; L406-F427 HydrophobicContact CG-CG 4.27Å; L406-I475 PolarHBondContact N-O 3.17Å; L406-V476 CarbonylContact O-C 3.52Å; L406-V476 VanDerWaalsContact O-CA 3.29Å; L406-V476 WeakPolarHBondContact O-CA 3.39Å; L406-L477 PolarHBondContact O-N 3.27Å
407P98.8Very high98.6Very high0 Ų060.4 Ų60.40%031%0.307CS..EExtended strand (participates in β ladder)trans-78.5136.3164.131.3-32.5000111.9D340 H420 L477 V480D340-P407 HydrophobicContact CB-CG 4.3Å; P407-H420 PolarHBondContact O-CE1 2.99Å; P407-H420 PolarHBondContact O-NE2 3.11Å; P407-L477 CarbonylContact C-O 3.51Å; P407-L477 WeakPolarHBondContact CA-O 3.4Å; P407-V480 HydrophobicContact CB-CG2 3.97Å; P407-V480 HydrophobicContact CG-CG2 4Å
408I98.7Very high98.6Very high103 Ų10356 Ų5653%0.52828%0.278SS..SBendtrans-64-47.8174.9-65.3169.1000109.7H420 V476 L477 P478I408-H420 PolarHBondContact O-CD2 3.38Å; I408-H420 PolarHBondContact O-NE2 2.86Å; I408-V476 HydrophobicContact CD1-CG1 3.89Å; I408-V476 HydrophobicContact CG1-CG1 3.47Å; I408-V476 VanDerWaalsContact CG1-CG1 3.47Å; I408-L477 WeakPolarHBondContact CG1-O 3.29Å; I408-L477 PolarHBondContact N-O 2.9Å; I408-P478 PolarHBondContact N-O 3.37Å
409E98.4Very high98.6Very high109 Ų10953.8 Ų53.851%0.50927%0.274SS..SBendtrans-98.1127.4176.3-64.1-169.6173.800111.9P478 R479E409-P478 PolarHBondContact N-O 3.25Å; E409-R479 HydrophobicContact CB-CB 4.24Å; E409-R479 HydrophobicContact CB-CG 4.29Å; E409-R479 IonicContact OE2-NH1 2.77Å
410T98.6Very high98.6Very high34 Ų3452 Ų5221%0.20926%0.264CS..  trans-80.6149.2169.7-179.60000111.8N412 P413 H420T410-N412 PolarHBondContact O-N 2.91Å; T410-N412 PolarHBondContact OG1-N 3.41Å; T410-P413 HydrophobicContact CG2-CB 3.93Å; T410-H420 HydrophobicContact CG2-CB 3.78Å
411H98.3Very high98.6Very high31 Ų3158.1 Ų58.114%0.14429%0.293CS..SBendtrans-72.5-15.8167.1-70-91.7000113.2A172 Y342 R479 V480A172-H411 HydrophobicContact CB-CB 3.91Å; A172-H411 VanDerWaalsContact CB-ND1 3.3Å; A172-H411 WeakPolarHBondContact CB-ND1 3.29Å; Y342-H411 HydrophobicContact CE2-CB 4.04Å; H411-R479 PolarHBondContact CE1-NE 3.01Å; H411-R479 PolarHBondContact ND1-NE 2.94Å; H411-R479 PolarHBondContact ND1-NH2 3.48Å; H411-V480 PolarHBondContact CE1-O 3.29Å; H411-V480 VanDerWaalsContact CE1-O 3.27Å; H411-V480 PolarHBondContact NE2-O 3.26Å
412N98.5Very high98.6Very high84 Ų8462.2 Ų62.245%0.44931%0.314SS..  trans-131.677.4-174.8-58-73.2000110.4T410 I414T410-N412 PolarHBondContact O-N 2.91Å; T410-N412 PolarHBondContact OG1-N 3.41Å; N412-I414 PolarHBondContact O-N 2.96Å
413P98.1Very high98.6Very high86 Ų8663.9 Ų63.956%0.55832%0.323SS*.  trans-76.752.1-177.933.6-37.2000112.4T410 G417T410-P413 HydrophobicContact CG2-CB 3.93Å; P413-G417 PolarHBondContact O-N 2.62Å
414I98.6Very high98.6Very high91 Ų9165.6 Ų65.647%0.46733%0.333SS..THydrogen-bonded Turntrans-65.5149-177.760.8170000111.6N412 D416 G417 H419N412-I414 PolarHBondContact O-N 2.96Å; I414-D416 VanDerWaalsContact C-N 3.29Å; I414-D416 PolarHBondContact O-N 3.4Å; I414-G417 PolarHBondContact O-N 3.22Å; I414-H419 HydrophobicContact CD1-CB 4.43Å; I414-H419 HydrophobicContact CG1-CB 4.09Å
415R98.3Very high98.6Very high172 Ų17268.1 Ų68.165%0.64935%0.354SS*.THydrogen-bonded Turntrans5150-176.2-57.6-174.363-154.9-5.2111.6G417 L418R415-G417 PolarHBondContact O-N 3.49Å; R415-L418 HydrophobicContact CB-CB 4.19Å; R415-L418 VanDerWaalsContact CZ-CD2 3.46Å; R415-L418 VanDerWaalsContact O-CB 3.23Å; R415-L418 WeakPolarHBondContact O-CB 3.44Å; R415-L418 PolarHBondContact O-N 3.05Å
416D97.9Very high98.6Very high172 Ų17270.4 Ų70.492%0.9237%0.366SS*.THydrogen-bonded Turntrans53.337.2179.6-53.7-41.7000113.5I414 L418I414-D416 VanDerWaalsContact C-N 3.29Å; I414-D416 PolarHBondContact O-N 3.4Å; D416-L418 VanDerWaalsContact C-N 3.33Å; D416-L418 PolarHBondContact O-N 2.87Å
417G98.5Very high98.6Very high19 Ų1970.2 Ų70.220%0.19637%0.365CS..THydrogen-bonded Turntrans82.9-0.9178.600000115.4P413 I414 R415 H419 H420 E421P413-G417 PolarHBondContact O-N 2.62Å; I414-G417 PolarHBondContact O-N 3.22Å; R415-G417 PolarHBondContact O-N 3.49Å; G417-H419 PolarHBondContact O-N 2.98Å; G417-H419 VanDerWaalsContact O-N 3.13Å; G417-H420 WeakPolarHBondContact O-CA 3.32Å; G417-H420 PolarHBondContact O-N 3.41Å; G417-E421 PolarHBondContact O-N 3.19Å
418L98.8Very high98.6Very high52 Ų5275 Ų7527%0.27239%0.39SS..Hα-helixtrans-52.4-40.2-178.2176.564.1000113.2R415 D416 H420 E421 I422R415-L418 HydrophobicContact CB-CB 4.19Å; R415-L418 VanDerWaalsContact CZ-CD2 3.46Å; R415-L418 VanDerWaalsContact O-CB 3.23Å; R415-L418 WeakPolarHBondContact O-CB 3.44Å; R415-L418 PolarHBondContact O-N 3.05Å; D416-L418 VanDerWaalsContact C-N 3.33Å; D416-L418 PolarHBondContact O-N 2.87Å; L418-H420 VanDerWaalsContact C-N 3.31Å; L418-H420 PolarHBondContact O-N 3.3Å; L418-E421 PolarHBondContact O-N 2.87Å; L418-I422 HydrophobicContact CD1-CD1 3.97Å; L418-I422 HydrophobicContact CD1-CG1 4.27Å; L418-I422 HydrophobicContact CG-CD1 4.02Å; L418-I422 WeakPolarHBondContact O-CG1 3.37Å; L418-I422 PolarHBondContact O-N 3.19Å
419H98.8Very high98.6Very high98 Ų9872.1 Ų72.145%0.45438%0.382SS..Hα-helixtrans-62.3-41177.7-78.8-112.9000111.9I414 G417 L423I414-H419 HydrophobicContact CD1-CB 4.43Å; I414-H419 HydrophobicContact CG1-CB 4.09Å; G417-H419 PolarHBondContact O-N 2.98Å; G417-H419 VanDerWaalsContact O-N 3.13Å; H419-L423 WeakPolarHBondContact O-CB 3.43Å; H419-L423 PolarHBondContact O-N 3.24Å
420H98.8Very high98.7Very high22 Ų2268.4 Ų68.410%0.10236%0.364CS..Hα-helixtrans-76.4-31.7-179.2-156.460.2000112.3P407 I408 T410 G417 L418 L423 T424P407-H420 PolarHBondContact O-CE1 2.99Å; P407-H420 PolarHBondContact O-NE2 3.11Å; I408-H420 PolarHBondContact O-CD2 3.38Å; I408-H420 PolarHBondContact O-NE2 2.86Å; T410-H420 HydrophobicContact CG2-CB 3.78Å; G417-H420 WeakPolarHBondContact O-CA 3.32Å; G417-H420 PolarHBondContact O-N 3.41Å; L418-H420 VanDerWaalsContact C-N 3.31Å; L418-H420 PolarHBondContact O-N 3.3Å; H420-L423 PolarHBondContact O-N 2.97Å; H420-T424 VanDerWaalsContact O-CB 3.28Å; H420-T424 WeakPolarHBondContact O-CB 3.5Å; H420-T424 PolarHBondContact O-N 2.89Å; H420-T424 PolarHBondContact O-OG1 2.99Å
421E98.7Very high98.7Very high136 Ų13666.9 Ų66.964%0.63636%0.355SS*.Hα-helixtrans-59.1-50.7169.6-175-174.1101.200110.8G417 L418 L423 T424 A425G417-E421 PolarHBondContact O-N 3.19Å; L418-E421 PolarHBondContact O-N 2.87Å; E421-L423 PolarHBondContact O-N 2.97Å; E421-T424 PolarHBondContact O-N 3.35Å; E421-A425 WeakPolarHBondContact O-CB 3.42Å; E421-A425 PolarHBondContact O-N 3.43Å
422I98.9Very high98.7Very high89 Ų8969.2 Ų69.246%0.45637%0.366SS..Hα-helixtrans-62.9-42178.2-66.5167.5000111.1L418 A425 N426L418-I422 HydrophobicContact CD1-CD1 3.97Å; L418-I422 HydrophobicContact CD1-CG1 4.27Å; L418-I422 HydrophobicContact CG-CD1 4.02Å; L418-I422 WeakPolarHBondContact O-CG1 3.37Å; L418-I422 PolarHBondContact O-N 3.19Å; I422-A425 PolarHBondContact O-N 3.44Å; I422-N426 WeakPolarHBondContact O-CB 3.39Å; I422-N426 PolarHBondContact O-N 3.38Å; I422-N426 PolarHBondContact O-ND2 3.44Å
423L98.9Very high98.7Very high35 Ų3566.4 Ų66.418%0.18336%0.355CS..Hα-helixtrans-59.7-46.8176.4-176.768000111.2Y339 T383 L406 H419 H420 E421 N426 F427Y339-L423 HydrophobicContact CD1-CD1 3.71Å; Y339-L423 HydrophobicContact CD1-CG 4.23Å; Y339-L423 HydrophobicContact CG-CD1 4.34Å; Y339-L423 WeakPolarHBondContact O-CD2 3.45Å; T383-L423 HydrophobicContact CG2-CD1 4.02Å; L406-L423 HydrophobicContact CD1-CD2 4.14Å; L406-L423 HydrophobicContact CD1-CG 4.13Å; H419-L423 WeakPolarHBondContact O-CB 3.43Å; H419-L423 PolarHBondContact O-N 3.24Å; H420-L423 PolarHBondContact O-N 2.97Å; E421-L423 PolarHBondContact O-N 2.97Å; L423-N426 WeakPolarHBondContact O-CB 3.24Å; L423-N426 PolarHBondContact O-N 3.48Å; L423-F427 PolarHBondContact O-N 2.94Å
424T98.9Very high98.7Very high40 Ų4062.4 Ų62.425%0.24533%0.329CS..Hα-helixtrans-64.2-44.6179.1-59.60000111.4L406 H420 E421 N426 F427 L428L406-T424 HydrophobicContact CD2-CG2 3.88Å; H420-T424 VanDerWaalsContact O-CB 3.28Å; H420-T424 WeakPolarHBondContact O-CB 3.5Å; H420-T424 PolarHBondContact O-N 2.89Å; H420-T424 PolarHBondContact O-OG1 2.99Å; E421-T424 PolarHBondContact O-N 3.35Å; T424-N426 PolarHBondContact O-N 2.99Å; T424-F427 WeakPolarHBondContact O-CB 3.39Å; T424-F427 PolarHBondContact O-N 2.98Å; T424-F427 VanDerWaalsContact O-N 3.17Å; T424-L428 HydrophobicContact CG2-CD1 4.12Å; T424-L428 WeakPolarHBondContact O-CG 3.41Å; T424-L428 PolarHBondContact O-N 2.92Å
425A98.9Very high98.8Very high53 Ų5359.3 Ų59.344%0.43831%0.312SS..Hα-helixtrans-57.3-41.5175.300000111.4E421 I422 A429E421-A425 WeakPolarHBondContact O-CB 3.42Å; E421-A425 PolarHBondContact O-N 3.43Å; I422-A425 PolarHBondContact O-N 3.44Å; A425-A429 WeakPolarHBondContact O-CB 3.38Å; A425-A429 PolarHBondContact O-N 2.95Å
426N98.9Very high98.7Very high47 Ų4756.4 Ų56.425%0.25130%0.302SS..Hα-helixtrans-69.5-37.2176.9-87-81.1000113.5Y339 T383 Q386 I422 L423 T424 Q430Y339-N426 HydrophobicContact CE1-CB 4.04Å; T383-N426 HydrophobicContact CG2-CB 3.73Å; Q386-N426 PolarHBondContact OE1-OD1 3.17Å; I422-N426 WeakPolarHBondContact O-CB 3.39Å; I422-N426 PolarHBondContact O-N 3.38Å; I422-N426 PolarHBondContact O-ND2 3.44Å; L423-N426 WeakPolarHBondContact O-CB 3.24Å; L423-N426 PolarHBondContact O-N 3.48Å; T424-N426 PolarHBondContact O-N 2.99Å; N426-Q430 WeakPolarHBondContact O-CB 3.43Å; N426-Q430 VanDerWaalsContact O-CG 3.22Å; N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.35Å; N426-Q430 VanDerWaalsContact O-N 3.09Å
427F98.9Very high98.8Very high2 Ų248.6 Ų48.61%0.00926%0.261CS..Hα-helixtrans-59.8-48.9173.9169.5-90.7000110.8Y339 F404 L406 L423 T424 V476Y339-F427 HydrophobicContact CD1-CB 3.61Å; Y339-F427 HydrophobicContact CD1-CD2 4.4Å; Y339-F427 HydrophobicContact CD2-CD2 4.02Å; Y339-F427 HydrophobicContact CE1-CB 3.83Å; Y339-F427 VanDerWaalsContact CE1-N 3.28Å; Y339-F427 HydrophobicContact CG-CB 4.03Å; Y339-F427 AromaticContact CG-CD2 3.95Å; Y339-F427 HydrophobicContact CG-CD2 3.95Å; F404-F427 HydrophobicContact CB-CD2 3.98Å; F404-F427 HydrophobicContact CB-CE2 3.49Å; F404-F427 VanDerWaalsContact CB-CE2 3.49Å; F404-F427 HydrophobicContact CB-CZ 4.19Å; F404-F427 HydrophobicContact CD1-CD2 4.3Å; L406-F427 HydrophobicContact CB-CD1 4.2Å; L406-F427 HydrophobicContact CB-CD2 3.49Å; L406-F427 VanDerWaalsContact CB-CD2 3.49Å; L406-F427 HydrophobicContact CB-CE1 4.23Å; L406-F427 HydrophobicContact CB-CE2 3.46Å; L406-F427 VanDerWaalsContact CB-CE2 3.46Å; L406-F427 HydrophobicContact CB-CG 3.85Å; L406-F427 HydrophobicContact CB-CZ 3.87Å; L406-F427 HydrophobicContact CD1-CB 4.4Å; L406-F427 HydrophobicContact CD2-CB 4.01Å; L406-F427 HydrophobicContact CD2-CD1 3.72Å; L406-F427 HydrophobicContact CD2-CD2 4.32Å; L406-F427 HydrophobicContact CD2-CE1 4.22Å; L406-F427 HydrophobicContact CD2-CG 3.78Å; L406-F427 HydrophobicContact CG-CD2 4.35Å; L406-F427 HydrophobicContact CG-CG 4.27Å; L423-F427 PolarHBondContact O-N 2.94Å; T424-F427 WeakPolarHBondContact O-CB 3.39Å; T424-F427 PolarHBondContact O-N 2.98Å; T424-F427 VanDerWaalsContact O-N 3.17Å; F427-V476 HydrophobicContact CE1-CG2 3.88Å; F427-V476 HydrophobicContact CZ-CG2 3.84Å
428L98.9Very high98.8Very high100 Ų10050.4 Ų50.452%0.52426%0.264SS..Hα-helixtrans-64.8-49.8179.4-65.3171.5000111.1T424 Q430 T431 E432T424-L428 HydrophobicContact CG2-CD1 4.12Å; T424-L428 WeakPolarHBondContact O-CG 3.41Å; T424-L428 PolarHBondContact O-N 2.92Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; L428-Q430 PolarHBondContact O-N 3Å; L428-T431 PolarHBondContact O-N 3.22Å; L428-T431 PolarHBondContact O-OG1 2.9Å; L428-E432 WeakPolarHBondContact O-CB 3.44Å; L428-E432 PolarHBondContact O-N 2.95Å; L428-E432 VanDerWaalsContact O-N 3.11Å
429A98.8Very high98.7Very high42 Ų4251.5 Ų51.535%0.34727%0.273SS..Hα-helixtrans-62.1-36.4-176.400000113A425 A433A425-A429 WeakPolarHBondContact O-CB 3.38Å; A425-A429 PolarHBondContact O-N 2.95Å; A429-A433 WeakPolarHBondContact O-CB 3.42Å; A429-A433 PolarHBondContact O-N 3.38Å
430Q98.9Very high98.6Very high31 Ų3151.9 Ų51.915%0.14528%0.275CS..Hα-helixtrans-69.2-44.6-178.3-73.4-64.3-18.200112.4Y339 Q386 Y390 H394 F404 N426 L428 E432 A433 L434Y339-Q430 VanDerWaalsContact OH-CG 3.27Å; Y339-Q430 WeakPolarHBondContact OH-CG 3.32Å; Q386-Q430 VanDerWaalsContact CD-NE2 3.3Å; Q386-Q430 HydrophobicContact CG-CG 4.07Å; Y390-Q430 HydrophobicContact CD2-CG 4.27Å; Y390-Q430 HydrophobicContact CE2-CB 4.25Å; Y390-Q430 HydrophobicContact CE2-CG 3.99Å; H394-Q430 PolarHBondContact NE2-OE1 3.09Å; F404-Q430 HydrophobicContact CE1-CB 3.76Å; F404-Q430 HydrophobicContact CZ-CB 4.16Å; N426-Q430 WeakPolarHBondContact O-CB 3.43Å; N426-Q430 VanDerWaalsContact O-CG 3.22Å; N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.35Å; N426-Q430 VanDerWaalsContact O-N 3.09Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; L428-Q430 PolarHBondContact O-N 3Å; Q430-E432 VanDerWaalsContact C-N 3.34Å; Q430-A433 PolarHBondContact O-N 3.18Å; Q430-L434 WeakPolarHBondContact O-CB 3.37Å; Q430-L434 VanDerWaalsContact O-CG 3.28Å; Q430-L434 WeakPolarHBondContact O-CG 3.36Å; Q430-L434 PolarHBondContact O-N 3.16Å
431T98.9Very high98.5Very high2 Ų255.3 Ų55.31%0.01229%0.294CS..Hα-helixtrans-68-35.817764.10000111.9F404 L428 M435 T472F404-T431 HydrophobicContact CB-CG2 4.04Å; F404-T431 HydrophobicContact CD1-CG2 3.82Å; F404-T431 HydrophobicContact CD2-CG2 3.64Å; F404-T431 HydrophobicContact CE1-CG2 4.16Å; F404-T431 HydrophobicContact CE2-CG2 3.98Å; F404-T431 HydrophobicContact CG-CG2 3.56Å; F404-T431 HydrophobicContact CZ-CG2 4.24Å; L428-T431 PolarHBondContact O-N 3.22Å; L428-T431 PolarHBondContact O-OG1 2.9Å; T431-M435 PolarHBondContact O-N 3.17Å; T431-M435 VanDerWaalsContact O-N 3.12Å; T431-T472 HydrophobicContact CG2-CG2 4.21Å
432E98.8Very high98.5Very high80 Ų8052.7 Ų52.737%0.37428%0.282SS..Hα-helixtrans-64.6-44.9172.5-168.4-164.6-173.100111.8L428 Q430 M435 R436L428-E432 WeakPolarHBondContact O-CB 3.44Å; L428-E432 PolarHBondContact O-N 2.95Å; L428-E432 VanDerWaalsContact O-N 3.11Å; Q430-E432 VanDerWaalsContact C-N 3.34Å; E432-M435 PolarHBondContact O-N 3.19Å; E432-R436 PolarHBondContact O-N 2.81Å; E432-R436 IonicContact OE1-CZ 3.79Å; E432-R436 IonicContact OE1-NH1 3.99Å; E432-R436 PolarHBondContact OE1-NH1 2.68Å; E432-R436 IonicContact OE1-NH2 2.8Å; E432-R436 IonicContact OE2-CZ 3.76Å; E432-R436 IonicContact OE2-NH1 2.79Å; E432-R436 PolarHBondContact OE2-NH1 2.89Å; E432-R436 IonicContact OE2-NH2 3.17Å; E432-R436 PolarHBondContact OE2-NH2 2.83Å
433A98.8Very high98.4Very high26 Ų2648.5 Ų48.522%0.21526%0.26CS..Hα-helixtrans-63.8-41.3178.600000112.1A429 Q430 M435 G437A429-A433 WeakPolarHBondContact O-CB 3.42Å; A429-A433 PolarHBondContact O-N 3.38Å; Q430-A433 PolarHBondContact O-N 3.18Å; A433-M435 VanDerWaalsContact C-N 3.32Å; A433-M435 PolarHBondContact O-N 3.31Å; A433-G437 PolarHBondContact O-N 2.82Å
434L98.9Very high98.3Very high1 Ų150.9 Ų50.91%0.00527%0.266CS..Hα-helixtrans-61.8-39.8175.7-75.9169.6000111.8I393 H394 F404 Q430 G468 N469 R470 T472I393-L434 HydrophobicContact CG2-CD1 4.47Å; I393-L434 HydrophobicContact CG2-CD2 3.65Å; H394-L434 VanDerWaalsContact CE1-CD2 3.45Å; H394-L434 WeakPolarHBondContact CE1-CD2 3.32Å; F404-L434 HydrophobicContact CE2-CD1 3.87Å; F404-L434 HydrophobicContact CZ-CD1 3.84Å; Q430-L434 WeakPolarHBondContact O-CB 3.37Å; Q430-L434 VanDerWaalsContact O-CG 3.28Å; Q430-L434 WeakPolarHBondContact O-CG 3.36Å; Q430-L434 PolarHBondContact O-N 3.16Å; L434-G468 CarbonylContact O-C 3.55Å; L434-G468 VanDerWaalsContact O-CA 3.3Å; L434-G468 WeakPolarHBondContact O-CA 3.48Å; L434-N469 PolarHBondContact O-N 3.18Å; L434-N469 VanDerWaalsContact O-N 3.1Å; L434-R470 HydrophobicContact CB-CB 3.96Å; L434-R470 HydrophobicContact CD2-CB 3.78Å; L434-R470 HydrophobicContact CD2-CG 4.34Å; L434-R470 HydrophobicContact CG-CB 4.44Å; L434-R470 WeakPolarHBondContact O-CB 3.42Å; L434-R470 PolarHBondContact O-N 3.09Å; L434-T472 HydrophobicContact CB-CG2 4.25Å; L434-T472 HydrophobicContact CD1-CG2 3.54Å
435M98.7Very high98.2Very high26 Ų2656.2 Ų56.213%0.12829%0.286CS..Hα-helixtrans-68.7-56.1175.1179.5-167.971.700112.1M25 F29 K56 T431 E432 A433 N469M25-M435 HydrophobicContact CB-CG 3.83Å; M25-M435 HydrophobicContact CE-CG 4.45Å; F29-M435 HydrophobicContact CD2-SD 3.44Å; F29-M435 WeakPolarHBondContact CD2-SD 3.41Å; F29-M435 HydrophobicContact CE2-SD 3.41Å; F29-M435 WeakPolarHBondContact CE2-SD 3.37Å; F29-M435 HydrophobicContact CG-SD 4.28Å; F29-M435 HydrophobicContact CZ-SD 4.19Å; K56-M435 HydrophobicContact CD-CB 4.38Å; K56-M435 HydrophobicContact CD-SD 4.31Å; K56-M435 HydrophobicContact CG-SD 4.13Å; T431-M435 PolarHBondContact O-N 3.17Å; T431-M435 VanDerWaalsContact O-N 3.12Å; E432-M435 PolarHBondContact O-N 3.19Å; A433-M435 VanDerWaalsContact C-N 3.32Å; A433-M435 PolarHBondContact O-N 3.31Å; M435-N469 PolarHBondContact O-N 3.45Å
436R98.2Very high98Very high112 Ų11258 Ų5842%0.42329%0.286SS..Hα-helixtrans-78.3-38.2-167.7113.3-177.9103.5-148.7-10.2113.2E432E432-R436 PolarHBondContact O-N 2.81Å; E432-R436 IonicContact OE1-CZ 3.79Å; E432-R436 IonicContact OE1-NH1 3.99Å; E432-R436 PolarHBondContact OE1-NH1 2.68Å; E432-R436 IonicContact OE1-NH2 2.8Å; E432-R436 IonicContact OE2-CZ 3.76Å; E432-R436 IonicContact OE2-NH1 2.79Å; E432-R436 PolarHBondContact OE2-NH1 2.89Å; E432-R436 IonicContact OE2-NH2 3.17Å; E432-R436 PolarHBondContact OE2-NH2 2.83Å
437G98.3Very high97.9Very high7 Ų755.9 Ų55.97%0.07227%0.274CS..  trans67.9-151.2-165.900000113.8A433 F466 G468A433-G437 PolarHBondContact O-N 2.82Å; G437-F466 CarbonylContact C-O 3.53Å; G437-F466 WeakPolarHBondContact CA-O 3.48Å; G437-G468 VanDerWaalsContact CA-CA 3.44Å
438K98.3Very high97.7Very high58 Ų5861.9 Ų61.925%0.25230%0.3SS..BIsolated β-bridgetrans-156.8113.9175.6-169.5-176.3-68.1-156.40107.5E442 V443 E446 F466K438-E442 HydrophobicContact CG-CB 3.92Å; K438-V443 HydrophobicContact CD-CG2 3.67Å; K438-V443 HydrophobicContact CG-CG2 3.86Å; K438-E446 IonicContact NZ-OE1 2.73Å; K438-E446 PolarHBondContact NZ-OE1 2.83Å; K438-E446 IonicContact NZ-OE2 2.76Å; K438-E446 PolarHBondContact NZ-OE2 3.02Å; K438-F466 HydrophobicContact CB-CB 4.08Å; K438-F466 HydrophobicContact CB-CD2 4.12Å; K438-F466 HydrophobicContact CB-CG 4.5Å; K438-F466 PolarHBondContact N-O 3.42Å; K438-F466 PolarHBondContact O-N 3.27Å
439T97.2Very high97.5Very high74 Ų7461.5 Ų61.545%0.45431%0.312SS..  trans-71.8160.9-173.462.60000112.2D441 E442 V443T439-D441 PolarHBondContact O-N 2.9Å; T439-E442 WeakPolarHBondContact CB-OE2 3.37Å; T439-E442 WeakPolarHBondContact CG2-OE2 3.25Å; T439-E442 PolarHBondContact N-OE2 2.92Å; T439-E442 PolarHBondContact O-N 3.29Å; T439-E442 VanDerWaalsContact OG1-CG 3.3Å; T439-E442 WeakPolarHBondContact OG1-CG 3.35Å; T439-E442 PolarHBondContact OG1-N 2.95Å; T439-E442 PolarHBondContact OG1-OE2 3.18Å; T439-V443 WeakPolarHBondContact O-CG2 3.33Å; T439-V443 PolarHBondContact O-N 3.03Å
440E97.1Very high97.3Very high107 Ų10763.2 Ų63.250%0.532%0.321SS..Hα-helixtrans-55.9-37.9174.8-72.4-171.2-174.300112.9V443 R444 L461 V465E440-V443 PolarHBondContact O-N 3.01Å; E440-R444 VanDerWaalsContact O-CB 3.25Å; E440-R444 WeakPolarHBondContact O-CB 3.4Å; E440-R444 PolarHBondContact O-N 3.46Å; E440-R444 IonicContact OE2-NH2 2.75Å; E440-L461 HydrophobicContact CB-CD2 4.13Å; E440-L461 HydrophobicContact CG-CD2 3.86Å; E440-V465 HydrophobicContact CB-CG2 4.4Å; E440-V465 HydrophobicContact CG-CG2 3.63Å
441D97.3Very high97.1Very high93 Ų9364.9 Ų64.950%0.49735%0.347SS..Hα-helixtrans-69.5-39.7-179.3-75.5-16.2000112.2T439 R444 K445T439-D441 PolarHBondContact O-N 2.9Å; D441-R444 PolarHBondContact O-N 2.87Å; D441-R444 IonicContact OD1-CZ 2.66Å; D441-R444 IonicContact OD1-NH1 3.85Å; D441-R444 PolarHBondContact OD1-NH1 2.89Å; D441-K445 VanDerWaalsContact O-CG 3.27Å; D441-K445 WeakPolarHBondContact O-CG 3.48Å; D441-K445 PolarHBondContact O-N 3.24Å
442E97.3Very high96.8Very high82 Ų8266.6 Ų66.638%0.38336%0.357SS..Hα-helixtrans-62.8-48.4173.2-71.1167.5117.900110.8K438 T439 R444 K445 E446K438-E442 HydrophobicContact CG-CB 3.92Å; T439-E442 WeakPolarHBondContact CB-OE2 3.37Å; T439-E442 WeakPolarHBondContact CG2-OE2 3.25Å; T439-E442 PolarHBondContact N-OE2 2.92Å; T439-E442 PolarHBondContact O-N 3.29Å; T439-E442 VanDerWaalsContact OG1-CG 3.3Å; T439-E442 WeakPolarHBondContact OG1-CG 3.35Å; T439-E442 PolarHBondContact OG1-N 2.95Å; T439-E442 PolarHBondContact OG1-OE2 3.18Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 2.85Å; E442-K445 PolarHBondContact O-N 2.95Å; E442-E446 WeakPolarHBondContact O-CG 3.49Å; E442-E446 PolarHBondContact O-N 3.35Å
443V97.2Very high96.6Very high0 Ų066.3 Ų66.30%036%0.364CS..Hα-helixtrans-59.6-43.5176.9173.70000111.4K438 T439 E440 K445 E446 L447 L461 K464 V465K438-V443 HydrophobicContact CD-CG2 3.67Å; K438-V443 HydrophobicContact CG-CG2 3.86Å; T439-V443 WeakPolarHBondContact O-CG2 3.33Å; T439-V443 PolarHBondContact O-N 3.03Å; E440-V443 PolarHBondContact O-N 3.01Å; V443-K445 VanDerWaalsContact C-N 3.33Å; V443-K445 PolarHBondContact O-N 2.88Å; V443-E446 PolarHBondContact O-N 3.33Å; V443-L447 HydrophobicContact CG1-CD1 3.74Å; V443-L447 HydrophobicContact CG1-CG 4.21Å; V443-L447 WeakPolarHBondContact O-CB 3.11Å; V443-L447 WeakPolarHBondContact O-CG 3.31Å; V443-L447 PolarHBondContact O-N 2.9Å; V443-L461 HydrophobicContact CG1-CB 4.45Å; V443-L461 HydrophobicContact CG1-CG 4.03Å; V443-K464 HydrophobicContact CB-CB 4.49Å; V443-K464 HydrophobicContact CG1-CB 3.49Å; V443-K464 VanDerWaalsContact CG1-CB 3.49Å; V443-K464 HydrophobicContact CG2-CB 4.11Å; V443-K464 WeakPolarHBondContact CG2-O 3.22Å; V443-V465 HydrophobicContact CG2-CG2 4.19Å
444R96.7Very high96.3Very high85 Ų8571 Ų7132%0.32139%0.385SS..Hα-helixtrans-62.2-42178.6-167.1-178.4-62121.45.8111.2E440 D441 E442 K448 M457 L461E440-R444 VanDerWaalsContact O-CB 3.25Å; E440-R444 WeakPolarHBondContact O-CB 3.4Å; E440-R444 PolarHBondContact O-N 3.46Å; E440-R444 IonicContact OE2-NH2 2.75Å; D441-R444 PolarHBondContact O-N 2.87Å; D441-R444 IonicContact OD1-CZ 2.66Å; D441-R444 IonicContact OD1-NH1 3.85Å; D441-R444 PolarHBondContact OD1-NH1 2.89Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 2.85Å; R444-K448 WeakPolarHBondContact O-CB 3.06Å; R444-K448 WeakPolarHBondContact O-CG 3.41Å; R444-K448 PolarHBondContact O-N 3.43Å; R444-M457 HydrophobicContact CG-SD 3.76Å; R444-L461 HydrophobicContact CB-CD1 3.84Å; R444-L461 HydrophobicContact CG-CD1 4.11Å
445K96.5Very high96.2Very high153 Ų15377.1 Ų77.167%0.66541%0.414SS*.Hα-helixtrans-62.4-46.2175.4-73.8171.3-176.2176.80111.4D441 E442 V443 K448 A449D441-K445 VanDerWaalsContact O-CG 3.27Å; D441-K445 WeakPolarHBondContact O-CG 3.48Å; D441-K445 PolarHBondContact O-N 3.24Å; E442-K445 PolarHBondContact O-N 2.95Å; V443-K445 VanDerWaalsContact C-N 3.33Å; V443-K445 PolarHBondContact O-N 2.88Å; K445-K448 PolarHBondContact O-N 3.39Å; K445-A449 WeakPolarHBondContact O-CB 3.46Å; K445-A449 PolarHBondContact O-N 2.78Å
446E96.3Very high96Very high91 Ų9179.8 Ų79.843%0.42543%0.426SS..Hα-helixtrans-61.2-46.5176.5-72.6178.4-178.600112.1K438 E442 V443 K448 A449 S450K438-E446 IonicContact NZ-OE1 2.73Å; K438-E446 PolarHBondContact NZ-OE1 2.83Å; K438-E446 IonicContact NZ-OE2 2.76Å; K438-E446 PolarHBondContact NZ-OE2 3.02Å; E442-E446 WeakPolarHBondContact O-CG 3.49Å; E442-E446 PolarHBondContact O-N 3.35Å; V443-E446 PolarHBondContact O-N 3.33Å; E446-K448 PolarHBondContact O-N 3.5Å; E446-A449 PolarHBondContact O-N 2.83Å; E446-S450 PolarHBondContact O-N 3.33Å; E446-S450 PolarHBondContact O-OG 2.84Å
447L95.8Very high95.9Very high2 Ų275 Ų751%0.0141%0.408CS..Hα-helixtrans-63.7-42.1179.9-74.3174.1000112V443 S450 V452 M457 I460 L461 K464V443-L447 HydrophobicContact CG1-CD1 3.74Å; V443-L447 HydrophobicContact CG1-CG 4.21Å; V443-L447 WeakPolarHBondContact O-CB 3.11Å; V443-L447 WeakPolarHBondContact O-CG 3.31Å; V443-L447 PolarHBondContact O-N 2.9Å; L447-S450 WeakPolarHBondContact CA-OG 3.38Å; L447-S450 PolarHBondContact O-N 2.89Å; L447-S450 PolarHBondContact O-OG 3.02Å; L447-V452 HydrophobicContact CD2-CG2 4.18Å; L447-V452 PolarHBondContact O-N 2.84Å; L447-M457 HydrophobicContact CB-CE 4.41Å; L447-M457 HydrophobicContact CB-CG 3.86Å; L447-M457 HydrophobicContact CB-SD 4.38Å; L447-M457 HydrophobicContact CD1-CG 3.83Å; L447-M457 HydrophobicContact CG-CG 4.5Å; L447-I460 HydrophobicContact CD1-CG2 4.37Å; L447-I460 HydrophobicContact CD2-CG2 4.15Å; L447-L461 HydrophobicContact CD1-CB 4.04Å; L447-K464 HydrophobicContact CD2-CD 3.98Å; L447-K464 HydrophobicContact CG-CD 4.45Å
448K94.6Very high95.7Very high128 Ų12883 Ų8356%0.55744%0.441SS*.Hα-helixtrans-58.8-47.2172.8-80.8-178.4177.3-167.20111.8R444 K445 E446 S450 G451 M457R444-K448 WeakPolarHBondContact O-CB 3.06Å; R444-K448 WeakPolarHBondContact O-CG 3.41Å; R444-K448 PolarHBondContact O-N 3.43Å; K445-K448 PolarHBondContact O-N 3.39Å; E446-K448 PolarHBondContact O-N 3.5Å; K448-S450 PolarHBondContact O-N 2.86Å; K448-G451 PolarHBondContact O-N 2.72Å; K448-G451 VanDerWaalsContact O-N 3.12Å; K448-M457 HydrophobicContact CB-CE 4.27Å; K448-M457 HydrophobicContact CD-CE 4.44Å; K448-M457 HydrophobicContact CG-CE 3.33Å; K448-M457 HydrophobicContact CG-SD 3.9Å
449A95.6Very high95.6Very high92 Ų9285.7 Ų85.776%0.7645%0.453SS*.Hα-helixtrans-63.2-30.7179.400000112.8K445 E446 G451K445-A449 WeakPolarHBondContact O-CB 3.46Å; K445-A449 PolarHBondContact O-N 2.78Å; E446-A449 PolarHBondContact O-N 2.83Å; A449-G451 VanDerWaalsContact C-N 3.26Å; A449-G451 PolarHBondContact O-N 3.36Å
450S94.1Very high95.6Very high77 Ų7784.5 Ų84.554%0.53844%0.443SS..THydrogen-bonded Turntrans-79.73.3175.964.60000115.2E446 L447 K448 V452E446-S450 PolarHBondContact O-N 3.33Å; E446-S450 PolarHBondContact O-OG 2.84Å; L447-S450 WeakPolarHBondContact CA-OG 3.38Å; L447-S450 PolarHBondContact O-N 2.89Å; L447-S450 PolarHBondContact O-OG 3.02Å; K448-S450 PolarHBondContact O-N 2.86Å; S450-V452 VanDerWaalsContact C-N 3.35Å; S450-V452 PolarHBondContact O-N 2.9Å; S450-V452 WeakPolarHBondContact OG-CG2 3.15Å
451G94.4Very high95.6Very high67 Ų6780.2 Ų80.269%0.69142%0.424SS*.THydrogen-bonded Turntrans74.119.6176.600000115K448 A449K448-G451 PolarHBondContact O-N 2.72Å; K448-G451 VanDerWaalsContact O-N 3.12Å; A449-G451 VanDerWaalsContact C-N 3.26Å; A449-G451 PolarHBondContact O-N 3.36Å
452V92.3Very high95.6Very high38 Ų3879.5 Ų79.523%0.2342%0.424CS..  trans-72.6132.6177.5179.10000109.6L447 S450 Q456 M457L447-V452 HydrophobicContact CD2-CG2 4.18Å; L447-V452 PolarHBondContact O-N 2.84Å; S450-V452 VanDerWaalsContact C-N 3.35Å; S450-V452 PolarHBondContact O-N 2.9Å; S450-V452 WeakPolarHBondContact OG-CG2 3.15Å; V452-Q456 HydrophobicContact CG1-CB 3.59Å; V452-Q456 HydrophobicContact CG1-CG 3.64Å; V452-M457 HydrophobicContact CG1-CB 4.22Å
453S94.5Very high95.6Very high73 Ų7382.2 Ų82.251%0.5144%0.437SS..  trans-60.6153.6177.569.60000111.9E455 Q456 M457S453-E455 PolarHBondContact O-N 3.49Å; S453-Q456 PolarHBondContact O-N 2.93Å; S453-Q456 VanDerWaalsContact O-N 3.09Å; S453-Q456 WeakPolarHBondContact OG-CB 3.5Å; S453-Q456 PolarHBondContact OG-N 2.9Å; S453-M457 VanDerWaalsContact O-CB 3.31Å; S453-M457 WeakPolarHBondContact O-CB 3.34Å; S453-M457 PolarHBondContact O-N 3.15Å
454D94Very high95.6Very high125 Ų12586.8 Ų86.867%0.66846%0.456SS*.Hα-helixtrans-58.3-37.5-179.1-72.5-29.4000112.7M457 K458D454-M457 PolarHBondContact O-N 3.47Å; D454-K458 PolarHBondContact O-N 3.41Å
455E95.3Very high95.7Very high129 Ų12984.1 Ų84.160%0.60345%0.45SS*.Hα-helixtrans-63.8-45.9176.3-164.6-163.7149.700111.4S453 M457 K458 K459S453-E455 PolarHBondContact O-N 3.49Å; E455-M457 VanDerWaalsContact C-N 3.35Å; E455-K458 PolarHBondContact O-N 2.6Å; E455-K459 PolarHBondContact O-N 3.43Å; E455-K459 IonicContact OE1-NZ 3.63Å; E455-K459 PolarHBondContact OE1-NZ 3.44Å
456Q95.3Very high95.8Very high82 Ų8279.7 Ų79.738%0.38343%0.431SS..Hα-helixtrans-70.8-34.5179.8-17264.59.300111.6V452 S453 K459 I460V452-Q456 HydrophobicContact CG1-CB 3.59Å; V452-Q456 HydrophobicContact CG1-CG 3.64Å; S453-Q456 PolarHBondContact O-N 2.93Å; S453-Q456 VanDerWaalsContact O-N 3.09Å; S453-Q456 WeakPolarHBondContact OG-CB 3.5Å; S453-Q456 PolarHBondContact OG-N 2.9Å; Q456-K459 PolarHBondContact O-N 3.25Å; Q456-I460 HydrophobicContact CG-CD1 3.89Å; Q456-I460 HydrophobicContact CG-CG1 4.45Å; Q456-I460 VanDerWaalsContact NE2-CD1 3.33Å; Q456-I460 PolarHBondContact O-N 3.37Å
457M95.7Very high95.9Very high11 Ų1184 Ų845%0.05445%0.448CS..Hα-helixtrans-63.1-45.2175.6-176.5-174.3-44.300110.9R444 L447 K448 V452 S453 D454 E455 K459 I460 L461R444-M457 HydrophobicContact CG-SD 3.76Å; L447-M457 HydrophobicContact CB-CE 4.41Å; L447-M457 HydrophobicContact CB-CG 3.86Å; L447-M457 HydrophobicContact CB-SD 4.38Å; L447-M457 HydrophobicContact CD1-CG 3.83Å; L447-M457 HydrophobicContact CG-CG 4.5Å; K448-M457 HydrophobicContact CB-CE 4.27Å; K448-M457 HydrophobicContact CD-CE 4.44Å; K448-M457 HydrophobicContact CG-CE 3.33Å; K448-M457 HydrophobicContact CG-SD 3.9Å; V452-M457 HydrophobicContact CG1-CB 4.22Å; S453-M457 VanDerWaalsContact O-CB 3.31Å; S453-M457 WeakPolarHBondContact O-CB 3.34Å; S453-M457 PolarHBondContact O-N 3.15Å; D454-M457 PolarHBondContact O-N 3.47Å; E455-M457 VanDerWaalsContact C-N 3.35Å; M457-K459 PolarHBondContact O-N 3.17Å; M457-I460 PolarHBondContact O-N 3.02Å; M457-L461 WeakPolarHBondContact O-CB 3.13Å; M457-L461 PolarHBondContact O-N 3.23Å
458K95.2Very high96Very high176 Ų17684.2 Ų84.277%0.76545%0.45SS*.Hα-helixtrans-57.3-36.8175.9-171.5177.6179.6-179.30112D454 E455D454-K458 PolarHBondContact O-N 3.41Å; E455-K458 PolarHBondContact O-N 2.6Å
459K96.3Very high96.2Very high114 Ų11480.4 Ų80.450%0.49644%0.436SS..Hα-helixtrans-72.5-46.8177.5-67.7175.2-171.51650112.3E455 Q456 M457 H463E455-K459 PolarHBondContact O-N 3.43Å; E455-K459 IonicContact OE1-NZ 3.63Å; E455-K459 PolarHBondContact OE1-NZ 3.44Å; Q456-K459 PolarHBondContact O-N 3.25Å; M457-K459 PolarHBondContact O-N 3.17Å; K459-H463 PolarHBondContact O-CD2 3.01Å; K459-H463 VanDerWaalsContact O-CD2 3.22Å
460I95.9Very high96.3Very high49 Ų4977.4 Ų77.425%0.25141%0.405SS..Hα-helixtrans-82.7-31.1-171.9-67.6179.8000113.1L447 Q456 M457 H463 K464L447-I460 HydrophobicContact CD1-CG2 4.37Å; L447-I460 HydrophobicContact CD2-CG2 4.15Å; Q456-I460 HydrophobicContact CG-CD1 3.89Å; Q456-I460 HydrophobicContact CG-CG1 4.45Å; Q456-I460 VanDerWaalsContact NE2-CD1 3.33Å; Q456-I460 PolarHBondContact O-N 3.37Å; M457-I460 PolarHBondContact O-N 3.02Å; I460-H463 WeakPolarHBondContact O-CB 3.28Å; I460-H463 PolarHBondContact O-N 3.22Å; I460-K464 HydrophobicContact CG2-CD 3.89Å; I460-K464 HydrophobicContact CG2-CG 3.94Å; I460-K464 PolarHBondContact O-N 3Å
461L97.5Very high96.6Very high17 Ų1773.7 Ų73.79%0.08938%0.379CS..Hα-helixtrans-46.8-52.7-173.8-175.9155.1000113.9E440 V443 R444 L447 M457 H463 K464 V465E440-L461 HydrophobicContact CB-CD2 4.13Å; E440-L461 HydrophobicContact CG-CD2 3.86Å; V443-L461 HydrophobicContact CG1-CB 4.45Å; V443-L461 HydrophobicContact CG1-CG 4.03Å; R444-L461 HydrophobicContact CB-CD1 3.84Å; R444-L461 HydrophobicContact CG-CD1 4.11Å; L447-L461 HydrophobicContact CD1-CB 4.04Å; M457-L461 WeakPolarHBondContact O-CB 3.13Å; M457-L461 PolarHBondContact O-N 3.23Å; L461-H463 PolarHBondContact O-N 2.97Å; L461-K464 PolarHBondContact O-N 3.13Å; L461-V465 HydrophobicContact CD2-CG2 4.23Å; L461-V465 WeakPolarHBondContact O-CG2 3.45Å; L461-V465 PolarHBondContact O-N 2.92Å
462P97Very high96.8Very high78 Ų7870.6 Ų70.651%0.50635%0.346SS..Hα-helixtrans-62.9-26-178.424.4-35000113.8K464P462-K464 VanDerWaalsContact C-N 3.34Å
463H97.8Very high97.1Very high139 Ų13968.8 Ų68.864%0.64434%0.336SS*.Hα-helixtrans-76.2-21.8177.7-60.1-85.3000113.2Q395 K459 I460 L461Q395-H463 PolarHBondContact NE2-O 2.99Å; K459-H463 PolarHBondContact O-CD2 3.01Å; K459-H463 VanDerWaalsContact O-CD2 3.22Å; I460-H463 WeakPolarHBondContact O-CB 3.28Å; I460-H463 PolarHBondContact O-N 3.22Å; L461-H463 PolarHBondContact O-N 2.97Å
464K97.7Very high97.3Very high96 Ų9665.6 Ų65.642%0.41731%0.313SS..Hα-helixtrans-97.3-3.8-179.7-76.2-166.1172.3-1740113.7V443 L447 I460 L461 P462 F466V443-K464 HydrophobicContact CB-CB 4.49Å; V443-K464 HydrophobicContact CG1-CB 3.49Å; V443-K464 VanDerWaalsContact CG1-CB 3.49Å; V443-K464 HydrophobicContact CG2-CB 4.11Å; V443-K464 WeakPolarHBondContact CG2-O 3.22Å; L447-K464 HydrophobicContact CD2-CD 3.98Å; L447-K464 HydrophobicContact CG-CD 4.45Å; I460-K464 HydrophobicContact CG2-CD 3.89Å; I460-K464 HydrophobicContact CG2-CG 3.94Å; I460-K464 PolarHBondContact O-N 3Å; L461-K464 PolarHBondContact O-N 3.13Å; P462-K464 VanDerWaalsContact C-N 3.34Å; K464-F466 VanDerWaalsContact O-CD2 3.28Å; K464-F466 WeakPolarHBondContact O-CD2 3.27Å
465V98.3Very high97.6Very high29 Ų2959.6 Ų59.618%0.17628%0.281CS..  trans-74.4135.5173.31730000109.7Q395 E440 V443 L461Q395-V465 PolarHBondContact NE2-O 3.35Å; E440-V465 HydrophobicContact CB-CG2 4.4Å; E440-V465 HydrophobicContact CG-CG2 3.63Å; V443-V465 HydrophobicContact CG2-CG2 4.19Å; L461-V465 HydrophobicContact CD2-CG2 4.23Å; L461-V465 WeakPolarHBondContact O-CG2 3.45Å; L461-V465 PolarHBondContact O-N 2.92Å
466F98.7Very high97.7Very high61 Ų6154.5 Ų54.527%0.26826%0.259SS..BIsolated β-bridgetrans-114.5118.7171.3-71.6-109.8000107.5H394 Q395 G437 K438 K464 G468H394-F466 HydrophobicContact CB-CD1 3.88Å; H394-F466 HydrophobicContact CB-CE1 3.81Å; H394-F466 AromaticContact ND1-CD1 3.93Å; Q395-F466 HydrophobicContact CG-CD1 4Å; Q395-F466 HydrophobicContact CG-CE1 3.93Å; Q395-F466 HydrophobicContact CG-CZ 4.37Å; G437-F466 CarbonylContact C-O 3.53Å; G437-F466 WeakPolarHBondContact CA-O 3.48Å; K438-F466 HydrophobicContact CB-CB 4.08Å; K438-F466 HydrophobicContact CB-CD2 4.12Å; K438-F466 HydrophobicContact CB-CG 4.5Å; K438-F466 PolarHBondContact N-O 3.42Å; K438-F466 PolarHBondContact O-N 3.27Å; K464-F466 VanDerWaalsContact O-CD2 3.28Å; K464-F466 WeakPolarHBondContact O-CD2 3.27Å; F466-G468 PolarHBondContact O-N 3.16Å
467K97.7Very high97.9Very high182 Ų18250.7 Ų50.779%0.79124%0.241SC*.  trans-68.3-15.5-176.1-66.6-178178.6179.30113.6
468G98.4Very high98Very high5 Ų550.7 Ų50.75%0.05224%0.242CC..  trans60.8-149.3-17800000112.3L434 G437 F466 R470L434-G468 CarbonylContact O-C 3.55Å; L434-G468 VanDerWaalsContact O-CA 3.3Å; L434-G468 WeakPolarHBondContact O-CA 3.48Å; G437-G468 VanDerWaalsContact CA-CA 3.44Å; F466-G468 PolarHBondContact O-N 3.16Å; G468-R470 PolarHBondContact O-N 3.01Å; G468-R470 VanDerWaalsContact O-N 3.17Å; G468-R470 PolarHBondContact O-NH1 2.75Å
469N98.5Very high98.2Very high48 Ų4846.1 Ų46.126%0.25722%0.22SC..  trans53.233.1176-146.638.3000114.6L23 M25 L58 L434 M435L23-N469 PolarHBondContact O-ND2 2.85Å; M25-N469 PolarHBondContact N-OD1 3.39Å; L58-N469 WeakPolarHBondContact CD2-OD1 3.47Å; L434-N469 PolarHBondContact O-N 3.18Å; L434-N469 VanDerWaalsContact O-N 3.1Å; M435-N469 PolarHBondContact O-N 3.45Å
470R98.7Very high98.3Very high29 Ų2940.8 Ų40.811%0.10920%0.197CC..  trans-103.6119.3-180-74.5158.1171.384.2-1.8110.7M25 I393 H394 L434 G468M25-R470 WeakPolarHBondContact CE-O 3.4Å; I393-R470 WeakPolarHBondContact O-CD 3.47Å; I393-R470 PolarHBondContact O-NE 2.91Å; H394-R470 PolarHBondContact O-NE 3.27Å; H394-R470 PolarHBondContact O-NH1 3.22Å; H394-R470 PolarHBondContact O-NH2 3.12Å; L434-R470 HydrophobicContact CB-CB 3.96Å; L434-R470 HydrophobicContact CD2-CB 3.78Å; L434-R470 HydrophobicContact CD2-CG 4.34Å; L434-R470 HydrophobicContact CG-CB 4.44Å; L434-R470 WeakPolarHBondContact O-CB 3.42Å; L434-R470 PolarHBondContact O-N 3.09Å; G468-R470 PolarHBondContact O-N 3.01Å; G468-R470 VanDerWaalsContact O-N 3.17Å; G468-R470 PolarHBondContact O-NH1 2.75Å
471P98.8Very high98.4Very high0 Ų039.1 Ų39.10%019%0.189CC..  trans-79.3142.1-165.530.3-35.3000113.3K56 H57 Y325 M399 C402K56-P471 CarbonylContact O-C 3.15Å; K56-P471 VanDerWaalsContact O-CA 3.29Å; K56-P471 WeakPolarHBondContact O-CA 3.23Å; H57-P471 WeakPolarHBondContact ND1-CB 3.49Å; Y325-P471 HydrophobicContact CD1-CG 4.33Å; Y325-P471 HydrophobicContact CE1-CB 4.03Å; Y325-P471 HydrophobicContact CE1-CG 3.67Å; Y325-P471 HydrophobicContact CE2-CB 4.19Å; Y325-P471 HydrophobicContact CE2-CG 4.27Å; Y325-P471 VanDerWaalsContact OH-CB 3.23Å; Y325-P471 WeakPolarHBondContact OH-CB 3.41Å; M399-P471 HydrophobicContact CG-CG 4.45Å; C402-P471 PolarHBondContact N-O 3.32Å
472T99Very high98.5Very high1 Ų138.6 Ų38.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-141.6140.6178.561.70000112.2K56 H57 C402 F404 T431 L434K56-T472 PolarHBondContact O-N 3.36Å; H57-T472 VanDerWaalsContact NE2-C 3.27Å; H57-T472 PolarHBondContact NE2-O 3.26Å; C402-T472 HydrophobicContact CB-CG2 4.26Å; C402-T472 CarbonylContact O-C 3.48Å; C402-T472 WeakPolarHBondContact O-CA 3.23Å; F404-T472 HydrophobicContact CD2-CG2 4.05Å; F404-T472 HydrophobicContact CE2-CG2 3.73Å; T431-T472 HydrophobicContact CG2-CG2 4.21Å; L434-T472 HydrophobicContact CB-CG2 4.25Å; L434-T472 HydrophobicContact CD1-CG2 3.54Å
473T99Very high98.6Very high1 Ų136.4 Ų36.41%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-92.3135.8157.7-630000108.5I52 D53 H57 L318 C402 D403 F404 I475I52-T473 HydrophobicContact CG2-CG2 4.01Å; D53-T473 WeakPolarHBondContact O-CA 3.21Å; H57-T473 PolarHBondContact NE2-N 3.23Å; H57-T473 PolarHBondContact NE2-OG1 3.18Å; L318-T473 HydrophobicContact CD2-CG2 3.89Å; C402-T473 PolarHBondContact O-N 2.95Å; D403-T473 WeakPolarHBondContact OD1-CB 3.33Å; F404-T473 PolarHBondContact N-O 3.28Å; T473-I475 HydrophobicContact CG2-CD1 4.34Å; T473-I475 HydrophobicContact CG2-CG1 3.79Å
474S99Very high98.6Very high5 Ų529.8 Ų29.84%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-107.5111.6169.1-68.50000109.6D53D53-S474 PolarHBondContact N-O 2.85Å; D53-S474 PolarHBondContact O-N 2.96Å
475I99Very high98.7Very high0 Ų025.3 Ų25.30%012%0.119CC..EExtended strand (participates in β ladder)trans-102.4111.6176.6-58.3164.4000107.8I50 L51 D403 F404 I405 L406 T473 L477 L488 M491 Y492I50-I475 HydrophobicContact CG2-CG2 4.07Å; L51-I475 CarbonylContact O-C 3.48Å; L51-I475 WeakPolarHBondContact O-CA 3.29Å; D403-I475 HydrophobicContact CB-CD1 4.28Å; F404-I475 PolarHBondContact O-N 2.95Å; I405-I475 CarbonylContact C-O 3.25Å; I405-I475 VanDerWaalsContact CA-O 3.25Å; I405-I475 WeakPolarHBondContact CA-O 3.44Å; I405-I475 HydrophobicContact CG1-CB 4.23Å; I405-I475 HydrophobicContact CG1-CD1 4.19Å; I405-I475 HydrophobicContact CG2-CB 4.45Å; I405-I475 HydrophobicContact CG2-CG2 4.37Å; L406-I475 PolarHBondContact N-O 3.17Å; T473-I475 HydrophobicContact CG2-CD1 4.34Å; T473-I475 HydrophobicContact CG2-CG1 3.79Å; I475-L477 HydrophobicContact CG2-CD2 3.98Å; I475-L488 HydrophobicContact CG2-CD1 4.15Å; I475-M491 HydrophobicContact CD1-CE 3.76Å; I475-Y492 HydrophobicContact CD1-CE2 4.28Å; I475-Y492 VanDerWaalsContact CD1-OH 3.29Å; I475-Y492 WeakPolarHBondContact CD1-OH 3.21Å
476V98.9Very high98.7Very high22 Ų2224 Ų2413%0.13311%0.11CC..EExtended strand (participates in β ladder)trans-110.2117.8-179.2-177.70000108.9I50 L51 L406 I408 F427I50-V476 CarbonylContact C-O 3.24Å; I50-V476 WeakPolarHBondContact CA-O 3.25Å; L51-V476 HydrophobicContact CB-CB 4.22Å; L51-V476 HydrophobicContact CD2-CB 4.49Å; L51-V476 HydrophobicContact CD2-CG2 4.47Å; L51-V476 PolarHBondContact N-O 3.37Å; L51-V476 PolarHBondContact O-N 2.87Å; L406-V476 CarbonylContact O-C 3.52Å; L406-V476 VanDerWaalsContact O-CA 3.29Å; L406-V476 WeakPolarHBondContact O-CA 3.39Å; I408-V476 HydrophobicContact CD1-CG1 3.89Å; I408-V476 HydrophobicContact CG1-CG1 3.47Å; I408-V476 VanDerWaalsContact CG1-CG1 3.47Å; F427-V476 HydrophobicContact CE1-CG2 3.88Å; F427-V476 HydrophobicContact CZ-CG2 3.84Å
477L98.8Very high98.7Very high1 Ų121 Ų211%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-93.3150.4179-46.1174.5000109I50 I405 L406 P407 I408 I475 V480 L488I50-L477 HydrophobicContact CB-CD2 4.46Å; I50-L477 HydrophobicContact CD1-CD2 4.02Å; I50-L477 HydrophobicContact CG1-CD2 3.93Å; I50-L477 HydrophobicContact CG2-CD2 3.77Å; I405-L477 HydrophobicContact CG2-CD1 3.97Å; I405-L477 HydrophobicContact CG2-CG 4.16Å; L406-L477 PolarHBondContact O-N 3.27Å; P407-L477 CarbonylContact C-O 3.51Å; P407-L477 WeakPolarHBondContact CA-O 3.4Å; I408-L477 WeakPolarHBondContact CG1-O 3.29Å; I408-L477 PolarHBondContact N-O 2.9Å; I475-L477 HydrophobicContact CG2-CD2 3.98Å; L477-V480 HydrophobicContact CD1-CG2 4.19Å; L477-L488 HydrophobicContact CD1-CD2 4.02Å; L477-L488 HydrophobicContact CD2-CD1 4.33Å; L477-L488 HydrophobicContact CD2-CD2 4.38Å
478P98.4Very high98.8Very high11 Ų1112.4 Ų12.47%0.0716%0.06CC..SBendtrans-63-4617024.1-30.6000111.3D47 I408 E409 T484D47-P478 HydrophobicContact CB-CB 4.28Å; D47-P478 HydrophobicContact CB-CG 3.98Å; D47-P478 WeakPolarHBondContact O-CB 3.32Å; I408-P478 PolarHBondContact N-O 3.37Å; E409-P478 PolarHBondContact N-O 3.25Å; P478-T484 HydrophobicContact CG-CG2 3.84Å
479R98.4Very high98.8Very high80 Ų8012.2 Ų12.230%0.3026%0.058SC..  trans-161.8161.1177.5-174.4167.4-176.9169.30.7109E409 H411 T481 T484E409-R479 HydrophobicContact CB-CB 4.24Å; E409-R479 HydrophobicContact CB-CG 4.29Å; E409-R479 IonicContact OE2-NH1 2.77Å; H411-R479 PolarHBondContact CE1-NE 3.01Å; H411-R479 PolarHBondContact ND1-NE 2.94Å; H411-R479 PolarHBondContact ND1-NH2 3.48Å; R479-T481 HydrophobicContact CB-CG2 4.07Å; R479-T481 HydrophobicContact CG-CG2 4.07Å; R479-T481 PolarHBondContact O-N 3.37Å; R479-T484 WeakPolarHBondContact O-CB 3.3Å; R479-T484 PolarHBondContact O-OG1 2.95Å
480V98.7Very high98.8Very high2 Ų29.9 Ų9.91%0.0125%0.045CC..  trans-85.382.4171.1-173.90000110.3L170 L343 P407 H411 L477L170-V480 HydrophobicContact CD2-CG1 4.45Å; L343-V480 HydrophobicContact CD1-CG2 4.39Å; L343-V480 HydrophobicContact CD2-CG1 4.37Å; P407-V480 HydrophobicContact CB-CG2 3.97Å; P407-V480 HydrophobicContact CG-CG2 4Å; H411-V480 PolarHBondContact CE1-O 3.29Å; H411-V480 VanDerWaalsContact CE1-O 3.27Å; H411-V480 PolarHBondContact NE2-O 3.26Å; L477-V480 HydrophobicContact CD1-CG2 4.19Å
481T98.8Very high98.8Very high15 Ų158.6 Ų8.69%0.0924%0.041CC..  trans-99164.6173.667.30000110.8D47 R479 Y483 T484 L485D47-T481 WeakPolarHBondContact OD2-CB 3.36Å; D47-T481 VanDerWaalsContact OD2-CG2 3.24Å; D47-T481 WeakPolarHBondContact OD2-CG2 3.28Å; D47-T481 PolarHBondContact OD2-OG1 3.01Å; R479-T481 HydrophobicContact CB-CG2 4.07Å; R479-T481 HydrophobicContact CG-CG2 4.07Å; R479-T481 PolarHBondContact O-N 3.37Å; T481-Y483 PolarHBondContact O-N 3.05Å; T481-T484 WeakPolarHBondContact CA-OG1 3.32Å; T481-T484 PolarHBondContact N-OG1 3.47Å; T481-T484 PolarHBondContact O-N 2.8Å; T481-T484 PolarHBondContact O-OG1 2.92Å; T481-T484 WeakPolarHBondContact OG1-CG2 3.32Å; T481-T484 PolarHBondContact OG1-N 3.17Å; T481-T484 PolarHBondContact OG1-OG1 3.34Å; T481-L485 VanDerWaalsContact O-CB 3.3Å; T481-L485 WeakPolarHBondContact O-CB 3.27Å; T481-L485 PolarHBondContact O-N 3.18Å
482P98.9Very high98.8Very high6 Ų68.7 Ų8.74%0.0394%0.041CC..Hα-helixtrans-53.7-43.7173.8-24.932.2000112.1L170 N290 K293 L294 G486L170-P482 HydrophobicContact CD1-CB 3.99Å; L170-P482 HydrophobicContact CD1-CG 4.08Å; L170-P482 HydrophobicContact CD2-CG 4.2Å; N290-P482 HydrophobicContact CB-CB 4.39Å; N290-P482 HydrophobicContact CB-CG 3.83Å; N290-P482 WeakPolarHBondContact O-CB 3.42Å; K293-P482 HydrophobicContact CB-CB 3.99Å; L294-P482 VanDerWaalsContact CA-O 3.25Å; L294-P482 WeakPolarHBondContact CA-O 3.24Å; L294-P482 HydrophobicContact CB-CB 4.12Å; L294-P482 VanDerWaalsContact CD1-O 3.31Å; L294-P482 WeakPolarHBondContact CD1-O 3.46Å; P482-G486 PolarHBondContact O-N 2.89Å
483Y98.9Very high98.8Very high32 Ų328.8 Ų8.813%0.1254%0.041CC..Hα-helixtrans-61.5-54.3178-174.8-74.9000112.2T45 P46 K293 T296 G297 A300 T481 L485 G486 A487T45-Y483 HydrophobicContact CG2-CD1 4.15Å; T45-Y483 HydrophobicContact CG2-CE1 3.81Å; P46-Y483 VanDerWaalsContact CD-CE1 3.41Å; P46-Y483 VanDerWaalsContact CD-CZ 3.45Å; P46-Y483 HydrophobicContact CG-CD2 4.05Å; P46-Y483 HydrophobicContact CG-CE1 4.46Å; P46-Y483 HydrophobicContact CG-CE2 3.93Å; P46-Y483 HydrophobicContact CG-CG 4.33Å; K293-Y483 WeakPolarHBondContact O-CA 3.32Å; T296-Y483 HydrophobicContact CG2-CD2 4.24Å; T296-Y483 HydrophobicContact CG2-CE2 3.87Å; G297-Y483 VanDerWaalsContact CA-O 3.32Å; G297-Y483 WeakPolarHBondContact CA-O 3.4Å; A300-Y483 WeakPolarHBondContact CB-OH 3.21Å; T481-Y483 PolarHBondContact O-N 3.05Å; Y483-L485 VanDerWaalsContact C-N 3.32Å; Y483-L485 PolarHBondContact O-N 2.84Å; Y483-G486 PolarHBondContact O-N 2.85Å; Y483-G486 VanDerWaalsContact O-N 3.11Å; Y483-A487 PolarHBondContact O-N 3.06Å
484T98.8Very high98.8Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-64.4-37.5-176.649.20000111.8T45 D47 P478 R479 T481 A487 L488T45-T484 HydrophobicContact CG2-CG2 4.17Å; D47-T484 HydrophobicContact CB-CG2 4.43Å; P478-T484 HydrophobicContact CG-CG2 3.84Å; R479-T484 WeakPolarHBondContact O-CB 3.3Å; R479-T484 PolarHBondContact O-OG1 2.95Å; T481-T484 WeakPolarHBondContact CA-OG1 3.32Å; T481-T484 PolarHBondContact N-OG1 3.47Å; T481-T484 PolarHBondContact O-N 2.8Å; T481-T484 PolarHBondContact O-OG1 2.92Å; T481-T484 WeakPolarHBondContact OG1-CG2 3.32Å; T481-T484 PolarHBondContact OG1-N 3.17Å; T481-T484 PolarHBondContact OG1-OG1 3.34Å; T484-A487 PolarHBondContact O-N 3.31Å; T484-L488 WeakPolarHBondContact O-CB 3.47Å; T484-L488 PolarHBondContact O-N 2.92Å
485L98.9Very high98.8Very high2 Ų28.6 Ų8.61%0.014%0.04CC..Hα-helixtrans-62.3-42.9172.3-179.462.7000111.4M165 V166 A169 L170 L294 L343 T481 Y483 A487 L488 I489M165-L485 HydrophobicContact SD-CD1 4.46Å; V166-L485 HydrophobicContact CB-CD2 4.5Å; V166-L485 HydrophobicContact CG1-CD2 4.07Å; V166-L485 HydrophobicContact CG2-CD2 4.38Å; A169-L485 HydrophobicContact CB-CD1 4.28Å; A169-L485 HydrophobicContact CB-CD2 3.56Å; L170-L485 HydrophobicContact CD1-CD2 3.94Å; L170-L485 HydrophobicContact CD2-CB 4.39Å; L170-L485 HydrophobicContact CD2-CD2 3.87Å; L170-L485 HydrophobicContact CG-CD2 3.65Å; L294-L485 HydrophobicContact CD1-CB 4.32Å; L294-L485 HydrophobicContact CD1-CD2 4.37Å; L294-L485 HydrophobicContact CD1-CG 4.26Å; L343-L485 HydrophobicContact CD2-CD1 3.98Å; T481-L485 VanDerWaalsContact O-CB 3.3Å; T481-L485 WeakPolarHBondContact O-CB 3.27Å; T481-L485 PolarHBondContact O-N 3.18Å; Y483-L485 VanDerWaalsContact C-N 3.32Å; Y483-L485 PolarHBondContact O-N 2.84Å; L485-A487 PolarHBondContact O-N 3.33Å; L485-L488 PolarHBondContact O-N 3.09Å; L485-I489 HydrophobicContact CD1-CD1 3.99Å; L485-I489 HydrophobicContact CD1-CG1 4.12Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 HydrophobicContact CG-CD1 3.79Å; L485-I489 HydrophobicContact CG-CG1 4.37Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 3.45Å
486G98.9Very high98.8Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-59.7-47176.900000112.2L294 A298 P482 Y483 L488 I489 A490L294-G486 WeakPolarHBondContact O-CA 3.38Å; A298-G486 WeakPolarHBondContact CA-O 3.44Å; A298-G486 WeakPolarHBondContact CB-O 3.47Å; P482-G486 PolarHBondContact O-N 2.89Å; Y483-G486 PolarHBondContact O-N 2.85Å; Y483-G486 VanDerWaalsContact O-N 3.11Å; G486-L488 VanDerWaalsContact C-N 3.34Å; G486-L488 PolarHBondContact O-N 3.25Å; G486-I489 PolarHBondContact O-N 3.43Å; G486-A490 WeakPolarHBondContact O-CB 3.25Å; G486-A490 PolarHBondContact O-N 3.02Å
487A98.9Very high98.8Very high0 Ų07.7 Ų7.70%03%0.034CC..Hα-helixtrans-61.5-42.8175.800000111.8F43 I50 G297 M301 Y483 T484 L485 M491F43-A487 HydrophobicContact CD1-CB 4.45Å; F43-A487 HydrophobicContact CE1-CB 3.72Å; F43-A487 HydrophobicContact CZ-CB 4.36Å; I50-A487 HydrophobicContact CD1-CB 4.21Å; G297-A487 WeakPolarHBondContact O-CA 3.3Å; G297-A487 WeakPolarHBondContact O-CB 3.38Å; M301-A487 HydrophobicContact CB-CB 4.4Å; M301-A487 HydrophobicContact CE-CB 4.44Å; Y483-A487 PolarHBondContact O-N 3.06Å; T484-A487 PolarHBondContact O-N 3.31Å; L485-A487 PolarHBondContact O-N 3.33Å; A487-M491 WeakPolarHBondContact O-CB 3.39Å; A487-M491 PolarHBondContact O-N 3.05Å
488L98.9Very high98.9Very high1 Ų17.7 Ų7.71%0.0053%0.034CC..Hα-helixtrans-63.3-45.4179.1-178.963.3000112F346 I405 I475 L477 T484 L485 G486 M491 Y492F346-L488 HydrophobicContact CE2-CD2 3.7Å; F346-L488 HydrophobicContact CE2-CG 3.94Å; F346-L488 HydrophobicContact CZ-CD1 4.41Å; F346-L488 HydrophobicContact CZ-CD2 3.75Å; F346-L488 HydrophobicContact CZ-CG 3.75Å; I405-L488 HydrophobicContact CG2-CD2 4.23Å; I475-L488 HydrophobicContact CG2-CD1 4.15Å; L477-L488 HydrophobicContact CD1-CD2 4.02Å; L477-L488 HydrophobicContact CD2-CD1 4.33Å; L477-L488 HydrophobicContact CD2-CD2 4.38Å; T484-L488 WeakPolarHBondContact O-CB 3.47Å; T484-L488 PolarHBondContact O-N 2.92Å; L485-L488 PolarHBondContact O-N 3.09Å; G486-L488 VanDerWaalsContact C-N 3.34Å; G486-L488 PolarHBondContact O-N 3.25Å; L488-M491 HydrophobicContact CD1-CE 3.59Å; L488-M491 WeakPolarHBondContact O-CB 3.38Å; L488-M491 PolarHBondContact O-N 3.43Å; L488-Y492 HydrophobicContact CD1-CD2 4.37Å; L488-Y492 HydrophobicContact CD1-CE2 3.97Å; L488-Y492 WeakPolarHBondContact O-CD2 3.28Å; L488-Y492 PolarHBondContact O-N 3.45Å
489I99Very high98.9Very high0 Ų07.1 Ų7.10%03%0.03CC..Hα-helixtrans-64.5-49.1178.9-61.9160.4000109.9M165 V166 W275 F346 Y349 F350 L485 G486 M491 Y492 E493M165-I489 HydrophobicContact CE-CD1 3.7Å; M165-I489 HydrophobicContact CE-CG1 4.01Å; V166-I489 HydrophobicContact CG2-CD1 4.06Å; W275-I489 HydrophobicContact CH2-CB 3.84Å; W275-I489 HydrophobicContact CH2-CD1 4.05Å; W275-I489 HydrophobicContact CH2-CG2 3.89Å; W275-I489 HydrophobicContact CZ2-CB 3.94Å; W275-I489 HydrophobicContact CZ2-CG2 3.47Å; W275-I489 VanDerWaalsContact CZ2-CG2 3.47Å; F346-I489 HydrophobicContact CE2-CG1 4.37Å; Y349-I489 HydrophobicContact CE1-CG2 3.73Å; F350-I489 HydrophobicContact CZ-CB 4.4Å; F350-I489 HydrophobicContact CZ-CG2 3.94Å; L485-I489 HydrophobicContact CD1-CD1 3.99Å; L485-I489 HydrophobicContact CD1-CG1 4.12Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 HydrophobicContact CG-CD1 3.79Å; L485-I489 HydrophobicContact CG-CG1 4.37Å; L485-I489 VanDerWaalsContact O-CG1 3.25Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 3.45Å; G486-I489 PolarHBondContact O-N 3.43Å; I489-M491 PolarHBondContact O-N 2.91Å; I489-Y492 PolarHBondContact O-N 2.89Å; I489-Y492 VanDerWaalsContact O-N 3.1Å; I489-E493 HydrophobicContact CG2-CG 4.39Å; I489-E493 WeakPolarHBondContact O-CG 3.34Å; I489-E493 PolarHBondContact O-N 3.22Å
490A99Very high98.9Very high0 Ų03.3 Ų3.30%02%0.016CC..Hα-helixtrans-59.7-33.3179.200000112.8A298 M301 G486 Y492 E493 H494A298-A490 HydrophobicContact CB-CB 3.93Å; M301-A490 HydrophobicContact CB-CB 3.85Å; M301-A490 HydrophobicContact CG-CB 3.99Å; G486-A490 WeakPolarHBondContact O-CB 3.25Å; G486-A490 PolarHBondContact O-N 3.02Å; A490-Y492 VanDerWaalsContact C-N 3.33Å; A490-Y492 PolarHBondContact O-N 3.13Å; A490-E493 PolarHBondContact O-N 3.42Å; A490-H494 PolarHBondContact O-CD2 3.45Å; A490-H494 PolarHBondContact O-N 3.1Å
491M98.9Very high98.9Very high2 Ų23.4 Ų3.41%0.012%0.016CC..Hα-helixtrans-59-45.2175.4-179.2-176.476.700111.5I52 M301 I314 P315 L318 I475 A487 L488 I489 K495I52-M491 HydrophobicContact CG1-SD 4.24Å; M301-M491 HydrophobicContact CE-CB 4.05Å; M301-M491 HydrophobicContact CE-CG 4.41Å; M301-M491 HydrophobicContact CG-CB 4.01Å; M301-M491 HydrophobicContact SD-CB 4.04Å; M301-M491 HydrophobicContact SD-CG 4.36Å; I314-M491 HydrophobicContact CG2-CG 3.81Å; I314-M491 HydrophobicContact CG2-SD 3.44Å; I314-M491 WeakPolarHBondContact CG2-SD 3.18Å; P315-M491 HydrophobicContact CG-CG 4.33Å; L318-M491 HydrophobicContact CD1-CE 3.78Å; L318-M491 HydrophobicContact CD1-CG 4Å; L318-M491 HydrophobicContact CD1-SD 3.79Å; I475-M491 HydrophobicContact CD1-CE 3.76Å; A487-M491 WeakPolarHBondContact O-CB 3.39Å; A487-M491 PolarHBondContact O-N 3.05Å; L488-M491 HydrophobicContact CD1-CE 3.59Å; L488-M491 WeakPolarHBondContact O-CB 3.38Å; L488-M491 PolarHBondContact O-N 3.43Å; I489-M491 PolarHBondContact O-N 2.91Å; M491-K495 PolarHBondContact O-N 3.19Å
492Y99Very high98.9Very high2 Ų22.7 Ų2.71%0.0081%0.012CC..Hα-helixtrans-74-35.5177.3-80.8-83.3000112.7L336 F346 F350 D403 I405 I475 L488 I489 A490 H494 K495 I496L336-Y492 HydrophobicContact CD2-CE1 3.67Å; L336-Y492 WeakPolarHBondContact CD2-OH 3.3Å; F346-Y492 HydrophobicContact CE1-CD2 4.29Å; F346-Y492 AromaticContact CE1-CE2 3.91Å; F346-Y492 HydrophobicContact CE1-CE2 3.91Å; F346-Y492 AromaticContact CZ-CD2 3.89Å; F346-Y492 HydrophobicContact CZ-CD2 3.89Å; F346-Y492 AromaticContact CZ-CE2 3.82Å; F346-Y492 HydrophobicContact CZ-CE2 3.82Å; F350-Y492 HydrophobicContact CD1-CG 4.48Å; F350-Y492 HydrophobicContact CD2-CG 4.5Å; F350-Y492 HydrophobicContact CE1-CG 4.14Å; F350-Y492 HydrophobicContact CE2-CD2 4.09Å; F350-Y492 HydrophobicContact CE2-CG 4.14Å; F350-Y492 HydrophobicContact CZ-CD2 4.19Å; F350-Y492 AromaticContact CZ-CG 3.96Å; F350-Y492 HydrophobicContact CZ-CG 3.96Å; D403-Y492 VanDerWaalsContact CB-OH 3.29Å; D403-Y492 WeakPolarHBondContact CB-OH 3.48Å; D403-Y492 WeakPolarHBondContact OD2-CE1 3.49Å; D403-Y492 PolarHBondContact OD2-OH 3.5Å; I405-Y492 HydrophobicContact CD1-CE2 4.47Å; I475-Y492 HydrophobicContact CD1-CE2 4.28Å; I475-Y492 VanDerWaalsContact CD1-OH 3.29Å; I475-Y492 WeakPolarHBondContact CD1-OH 3.21Å; L488-Y492 HydrophobicContact CD1-CD2 4.37Å; L488-Y492 HydrophobicContact CD1-CE2 3.97Å; L488-Y492 WeakPolarHBondContact O-CD2 3.28Å; L488-Y492 PolarHBondContact O-N 3.45Å; I489-Y492 PolarHBondContact O-N 2.89Å; I489-Y492 VanDerWaalsContact O-N 3.1Å; A490-Y492 VanDerWaalsContact C-N 3.33Å; A490-Y492 PolarHBondContact O-N 3.13Å; Y492-H494 VanDerWaalsContact C-N 3.27Å; Y492-H494 PolarHBondContact O-N 3.12Å; Y492-K495 HydrophobicContact CD1-CD 3.84Å; Y492-K495 HydrophobicContact CE1-CD 4.18Å; Y492-K495 WeakPolarHBondContact O-CB 3.18Å; Y492-K495 PolarHBondContact O-N 3.44Å; Y492-I496 WeakPolarHBondContact O-CB 3.43Å; Y492-I496 VanDerWaalsContact O-CD1 3.3Å; Y492-I496 WeakPolarHBondContact O-CD1 3.46Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.17Å
493E98.9Very high98.9Very high2 Ų22.4 Ų2.41%0.0091%0.01CC..Hα-helixtrans-56-45.1172.7-68.2177.4155.600111.2H99 R103 Y272 W275 I489 A490 I496 F497H99-E493 IonicContact CD2-OE2 2.72Å; R103-E493 IonicContact CZ-OE2 3.94Å; R103-E493 IonicContact NH1-OE1 3.36Å; R103-E493 IonicContact NH1-OE2 2.74Å; R103-E493 PolarHBondContact NH1-OE2 2.89Å; R103-E493 IonicContact NH2-OE2 2.83Å; R103-E493 PolarHBondContact NH2-OE2 2.87Å; Y272-E493 HydrophobicContact CD1-CB 4.26Å; Y272-E493 HydrophobicContact CD1-CG 3.78Å; Y272-E493 HydrophobicContact CE1-CB 3.91Å; Y272-E493 HydrophobicContact CE1-CG 3.77Å; W275-E493 PolarHBondContact NE1-OE1 2.95Å; I489-E493 HydrophobicContact CG2-CG 4.39Å; I489-E493 WeakPolarHBondContact O-CG 3.34Å; I489-E493 PolarHBondContact O-N 3.22Å; A490-E493 PolarHBondContact O-N 3.42Å; E493-I496 PolarHBondContact O-N 2.81Å; E493-F497 PolarHBondContact O-N 2.83Å
494H99Very high98.9Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-72.2-33.4177.1-65.2-40.8000112.8D302 F305 P315 A490 Y492 I496 F497 V498D302-H494 IonicContact OD1-CD2 3.31Å; D302-H494 IonicContact OD1-CE1 2.69Å; D302-H494 PolarHBondContact OD1-CE1 3.29Å; D302-H494 IonicContact OD1-NE2 2.77Å; D302-H494 PolarHBondContact OD1-NE2 3.11Å; F305-H494 HydrophobicContact CB-CB 4.44Å; F305-H494 HydrophobicContact CD1-CB 3.85Å; F305-H494 AromaticContact CD1-CD2 3.76Å; F305-H494 AromaticContact CD1-CE1 3.73Å; F305-H494 AromaticContact CD1-CG 3.34Å; F305-H494 AromaticContact CD1-ND1 3.31Å; F305-H494 VanDerWaalsContact CD1-ND1 3.31Å; F305-H494 WeakPolarHBondContact CD1-ND1 3.3Å; F305-H494 AromaticContact CD1-NE2 3.97Å; F305-H494 HydrophobicContact CD2-CB 4.13Å; F305-H494 HydrophobicContact CE1-CB 4.09Å; F305-H494 AromaticContact CE1-CG 3.86Å; F305-H494 AromaticContact CE1-ND1 3.57Å; F305-H494 HydrophobicContact CE2-CB 4.4Å; F305-H494 HydrophobicContact CG-CB 3.88Å; F305-H494 AromaticContact CG-CD2 3.9Å; F305-H494 AromaticContact CG-CG 3.68Å; F305-H494 HydrophobicContact CZ-CB 4.39Å; P315-H494 HydrophobicContact CB-CB 3.48Å; P315-H494 VanDerWaalsContact CB-CB 3.48Å; P315-H494 HydrophobicContact CG-CB 3.72Å; A490-H494 PolarHBondContact O-CD2 3.45Å; A490-H494 PolarHBondContact O-N 3.1Å; Y492-H494 VanDerWaalsContact C-N 3.27Å; Y492-H494 PolarHBondContact O-N 3.12Å; H494-I496 VanDerWaalsContact C-N 3.34Å; H494-I496 PolarHBondContact O-N 2.76Å; H494-F497 WeakPolarHBondContact O-CB 3.41Å; H494-F497 PolarHBondContact O-N 3.18Å; H494-V498 VanDerWaalsContact O-CG2 3.28Å; H494-V498 WeakPolarHBondContact O-CG2 3.48Å; H494-V498 PolarHBondContact O-N 3.39Å
495K98.9Very high98.9Very high3 Ų31.5 Ų1.51%0.0131%0.007CC..Hα-helixtrans-56.5-50.5170.6176.1-164.8175.1-176.40110.2L318 A319 H334 D403 M491 Y492 F497 V498 Q499L318-K495 HydrophobicContact CB-CD 4.11Å; L318-K495 HydrophobicContact CB-CG 4.13Å; A319-K495 HydrophobicContact CB-CG 4.12Å; A319-K495 WeakPolarHBondContact CB-O 3.44Å; H334-K495 PolarHBondContact CE1-NZ 3.44Å; H334-K495 PolarHBondContact NE2-NZ 3.36Å; H334-K495 VanDerWaalsContact NE2-NZ 3.18Å; D403-K495 IonicContact OD2-NZ 3.68Å; M491-K495 PolarHBondContact O-N 3.19Å; Y492-K495 HydrophobicContact CD1-CD 3.84Å; Y492-K495 HydrophobicContact CE1-CD 4.18Å; Y492-K495 WeakPolarHBondContact O-CB 3.18Å; Y492-K495 PolarHBondContact O-N 3.44Å; K495-F497 VanDerWaalsContact C-N 3.32Å; K495-F497 PolarHBondContact O-N 3.16Å; K495-V498 PolarHBondContact O-N 3.01Å; K495-Q499 WeakPolarHBondContact O-CG 3.41Å; K495-Q499 PolarHBondContact O-N 3Å; K495-Q499 VanDerWaalsContact O-N 3.13Å
496I99Very high98.9Very high1 Ų11.5 Ų1.51%0.0051%0.008CC..Hα-helixtrans-60.4-44.1180-69158.3000110.3Y272 F350 D354 N358 Y492 E493 H494 Q499 G500Y272-I496 WeakPolarHBondContact OH-CG2 3.44Å; F350-I496 HydrophobicContact CD1-CD1 3.93Å; F350-I496 HydrophobicContact CE1-CD1 4.14Å; D354-I496 HydrophobicContact CB-CD1 3.95Å; D354-I496 HydrophobicContact CB-CG1 4.06Å; N358-I496 WeakPolarHBondContact ND2-CG2 3.42Å; N358-I496 PolarHBondContact ND2-O 2.89Å; Y492-I496 WeakPolarHBondContact O-CB 3.43Å; Y492-I496 VanDerWaalsContact O-CD1 3.3Å; Y492-I496 WeakPolarHBondContact O-CD1 3.46Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.17Å; E493-I496 PolarHBondContact O-N 2.81Å; H494-I496 VanDerWaalsContact C-N 3.34Å; H494-I496 PolarHBondContact O-N 2.76Å; I496-Q499 PolarHBondContact O-N 2.91Å; I496-G500 PolarHBondContact O-N 2.89Å
497F98.9Very high98.9Very high2 Ų21.5 Ų1.51%0.0091%0.008CC..Hα-helixtrans-57.1-52.8175.2168.3-99.8000112.2R80 M83 I89 F305 E493 H494 K495 Q499 G500 I501 F508R80-F497 HydrophobicContact CB-CE1 3.99Å; R80-F497 HydrophobicContact CB-CZ 4.4Å; M83-F497 HydrophobicContact CB-CE2 4.47Å; M83-F497 HydrophobicContact SD-CD2 4.03Å; M83-F497 HydrophobicContact SD-CE2 4.08Å; M83-F497 HydrophobicContact SD-CG 4.45Å; I89-F497 HydrophobicContact CD1-CE2 4Å; F305-F497 AromaticContact CE1-CD1 3.89Å; F305-F497 HydrophobicContact CE1-CD1 3.89Å; F305-F497 HydrophobicContact CE1-CE1 4.13Å; F305-F497 AromaticContact CZ-CD1 3.58Å; F305-F497 HydrophobicContact CZ-CD1 3.58Å; F305-F497 AromaticContact CZ-CE1 3.78Å; F305-F497 HydrophobicContact CZ-CE1 3.78Å; E493-F497 PolarHBondContact O-N 2.83Å; H494-F497 WeakPolarHBondContact O-CB 3.41Å; H494-F497 PolarHBondContact O-N 3.18Å; K495-F497 VanDerWaalsContact C-N 3.32Å; K495-F497 PolarHBondContact O-N 3.16Å; F497-Q499 VanDerWaalsContact C-N 3.3Å; F497-Q499 PolarHBondContact O-N 3.13Å; F497-G500 PolarHBondContact O-N 3.37Å; F497-G500 VanDerWaalsContact O-N 3.12Å; F497-I501 HydrophobicContact CD1-CG1 4.41Å; F497-I501 HydrophobicContact CD2-CD1 4.31Å; F497-I501 HydrophobicContact CD2-CG1 4.15Å; F497-I501 HydrophobicContact CE1-CG1 3.93Å; F497-I501 HydrophobicContact CE2-CD1 3.7Å; F497-I501 HydrophobicContact CE2-CG1 3.7Å; F497-I501 HydrophobicContact CZ-CD1 3.94Å; F497-I501 HydrophobicContact CZ-CG1 3.56Å; F497-I501 WeakPolarHBondContact O-CG1 3.48Å; F497-I501 PolarHBondContact O-N 2.77Å; F497-F508 AromaticContact CD2-CE2 3.99Å; F497-F508 HydrophobicContact CD2-CE2 3.99Å; F497-F508 AromaticContact CD2-CZ 3.65Å; F497-F508 HydrophobicContact CD2-CZ 3.65Å; F497-F508 HydrophobicContact CE2-CE2 4.31Å; F497-F508 HydrophobicContact CE2-CZ 4.32Å
498V99Very high98.9Very high0 Ų02.1 Ų2.10%01%0.01CC..Hα-helixtrans-58-44-177.71720000110.9V76 F305 V316 A319 H494 K495 I501 I502V76-V498 HydrophobicContact CG1-CB 4.37Å; V76-V498 HydrophobicContact CG1-CG1 3.98Å; V76-V498 HydrophobicContact CG1-CG2 3.85Å; V76-V498 HydrophobicContact CG2-CG1 4.14Å; F305-V498 HydrophobicContact CE2-CG2 3.68Å; F305-V498 HydrophobicContact CZ-CG2 3.89Å; V316-V498 HydrophobicContact CG2-CG2 3.95Å; A319-V498 HydrophobicContact CB-CB 3.55Å; A319-V498 HydrophobicContact CB-CG1 3.44Å; A319-V498 VanDerWaalsContact CB-CG1 3.44Å; H494-V498 VanDerWaalsContact O-CG2 3.28Å; H494-V498 WeakPolarHBondContact O-CG2 3.48Å; H494-V498 PolarHBondContact O-N 3.39Å; K495-V498 PolarHBondContact O-N 3.01Å; V498-I501 PolarHBondContact O-N 2.74Å; V498-I502 HydrophobicContact CG1-CD1 3.95Å; V498-I502 WeakPolarHBondContact O-CG1 3.36Å; V498-I502 PolarHBondContact O-N 3.12Å
499Q99Very high98.8Very high0 Ų02.6 Ų2.60%01%0.013CC..Hα-helixtrans-62.5-44177.2-67-176.3-31.800112.2A319 I323 K495 I496 F497 I501 I502 W503A319-Q499 HydrophobicContact CB-CG 3.72Å; A319-Q499 PolarHBondContact O-NE2 3.43Å; I323-Q499 HydrophobicContact CD1-CB 4.35Å; I323-Q499 HydrophobicContact CD1-CG 4.27Å; I323-Q499 HydrophobicContact CG1-CG 4.39Å; K495-Q499 WeakPolarHBondContact O-CG 3.41Å; K495-Q499 PolarHBondContact O-N 3Å; K495-Q499 VanDerWaalsContact O-N 3.13Å; I496-Q499 PolarHBondContact O-N 2.91Å; F497-Q499 VanDerWaalsContact C-N 3.3Å; F497-Q499 PolarHBondContact O-N 3.13Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 3.44Å; Q499-I502 PolarHBondContact O-N 3.05Å; Q499-W503 HydrophobicContact CB-CD2 4.47Å; Q499-W503 HydrophobicContact CB-CE3 3.87Å; Q499-W503 HydrophobicContact CB-CH2 3.8Å; Q499-W503 HydrophobicContact CB-CZ2 4.41Å; Q499-W503 HydrophobicContact CB-CZ3 3.49Å; Q499-W503 VanDerWaalsContact CB-CZ3 3.49Å; Q499-W503 HydrophobicContact CG-CH2 4.27Å; Q499-W503 HydrophobicContact CG-CZ3 4.42Å; Q499-W503 PolarHBondContact O-N 2.91Å
500G98.9Very high98.8Very high0 Ų05.2 Ų5.20%03%0.025CC..Hα-helixtrans-61-37.8177.400000113.9I496 F497 D504 I505 S507I496-G500 PolarHBondContact O-N 2.89Å; F497-G500 PolarHBondContact O-N 3.37Å; F497-G500 VanDerWaalsContact O-N 3.12Å; G500-D504 PolarHBondContact O-N 2.52Å; G500-I505 WeakPolarHBondContact O-CG1 2.97Å; G500-I505 PolarHBondContact O-N 2.85Å; G500-S507 WeakPolarHBondContact CA-OG 3.13Å
501I98.8Very high98.7Very high3 Ų310.9 Ų10.92%0.0155%0.046CC..Hα-helixtrans-65.6-47.6173.2-60.6-48000111R74 V76 Y79 R364 F497 V498 Q499 W503 D504R74-I501 WeakPolarHBondContact O-CG2 3.45Å; V76-I501 HydrophobicContact CG2-CB 4.39Å; V76-I501 HydrophobicContact CG2-CG2 4.1Å; Y79-I501 HydrophobicContact CD1-CD1 4.04Å; Y79-I501 HydrophobicContact CD2-CD1 4.24Å; Y79-I501 HydrophobicContact CD2-CG2 3.49Å; Y79-I501 VanDerWaalsContact CD2-CG2 3.49Å; Y79-I501 HydrophobicContact CE2-CG2 4.23Å; Y79-I501 HydrophobicContact CG-CD1 3.72Å; Y79-I501 HydrophobicContact CG-CG1 4.26Å; Y79-I501 HydrophobicContact CG-CG2 4.01Å; R364-I501 VanDerWaalsContact NH2-CD1 3.29Å; F497-I501 HydrophobicContact CD1-CG1 4.41Å; F497-I501 HydrophobicContact CD2-CD1 4.31Å; F497-I501 HydrophobicContact CD2-CG1 4.15Å; F497-I501 HydrophobicContact CE1-CG1 3.93Å; F497-I501 HydrophobicContact CE2-CD1 3.7Å; F497-I501 HydrophobicContact CE2-CG1 3.7Å; F497-I501 HydrophobicContact CZ-CD1 3.94Å; F497-I501 HydrophobicContact CZ-CG1 3.56Å; F497-I501 WeakPolarHBondContact O-CG1 3.48Å; F497-I501 PolarHBondContact O-N 2.77Å; V498-I501 PolarHBondContact O-N 2.74Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 3.44Å; I501-W503 VanDerWaalsContact C-N 3.31Å; I501-W503 PolarHBondContact O-N 3.1Å; I501-D504 PolarHBondContact O-N 2.87Å
502I98.9Very high98.7Very high0 Ų014.5 Ų14.50%09%0.085CC..Hα-helixtrans-57.1-46.4178.5-71.5170.9000110.7L3 L70 R74 V76 L320 I323 V498 Q499 D504L3-I502 HydrophobicContact CD1-CG2 3.85Å; L3-I502 HydrophobicContact CD2-CG2 4.22Å; L70-I502 HydrophobicContact CD2-CG2 4.29Å; R74-I502 HydrophobicContact CB-CG1 4.13Å; R74-I502 HydrophobicContact CG-CB 4.43Å; R74-I502 HydrophobicContact CG-CG1 4.26Å; R74-I502 HydrophobicContact CG-CG2 4.29Å; R74-I502 PolarHBondContact NE-O 2.84Å; R74-I502 PolarHBondContact NH2-O 2.88Å; V76-I502 HydrophobicContact CG2-CD1 4.39Å; V76-I502 HydrophobicContact CG2-CG1 3.9Å; L320-I502 HydrophobicContact CD2-CD1 3.7Å; I323-I502 HydrophobicContact CD1-CB 4.18Å; I323-I502 HydrophobicContact CD1-CD1 4.5Å; I323-I502 HydrophobicContact CD1-CG2 3.75Å; I323-I502 HydrophobicContact CG1-CD1 3.95Å; I323-I502 HydrophobicContact CG1-CG2 4.1Å; I323-I502 HydrophobicContact CG2-CG2 4.44Å; V498-I502 HydrophobicContact CG1-CD1 3.95Å; V498-I502 WeakPolarHBondContact O-CG1 3.36Å; V498-I502 PolarHBondContact O-N 3.12Å; Q499-I502 PolarHBondContact O-N 3.05Å; I502-D504 PolarHBondContact O-N 3.06Å
503W98.8Very high98.5Very high0 Ų017 Ų170%010%0.1CC..THydrogen-bonded Turntrans-72.6-3.4178.3-68.8-39.8000115.1I323 H326 N327 N358 Y371 T372 T373 Q499 I501 I505I323-W503 HydrophobicContact CD1-CD2 4.14Å; I323-W503 HydrophobicContact CD1-CH2 4.44Å; I323-W503 HydrophobicContact CD1-CZ2 3.58Å; I323-W503 VanDerWaalsContact CD1-NE1 3.3Å; H326-W503 HydrophobicContact CB-CZ2 4.45Å; N327-W503 PolarHBondContact OD1-NE1 3.44Å; N358-W503 HydrophobicContact CB-CE3 4.24Å; N358-W503 HydrophobicContact CB-CZ3 3.77Å; Y371-W503 AromaticContact CD2-CD1 3.95Å; Y371-W503 HydrophobicContact CE2-CB 4.04Å; Y371-W503 AromaticContact CE2-CD1 3.82Å; Y371-W503 HydrophobicContact CE2-CG 4.25Å; Y371-W503 PolarHBondContact OH-O 2.88Å; T372-W503 PolarHBondContact O-NE1 2.81Å; T373-W503 VanDerWaalsContact C-CH2 3.4Å; T373-W503 HydrophobicContact CG2-CB 4.19Å; T373-W503 HydrophobicContact CG2-CD2 4.34Å; T373-W503 HydrophobicContact CG2-CG 4.13Å; T373-W503 VanDerWaalsContact O-CH2 3.24Å; T373-W503 WeakPolarHBondContact O-CH2 3.28Å; T373-W503 VanDerWaalsContact O-CZ2 3.28Å; T373-W503 WeakPolarHBondContact O-CZ2 3.26Å; Q499-W503 HydrophobicContact CB-CD2 4.47Å; Q499-W503 HydrophobicContact CB-CE3 3.87Å; Q499-W503 HydrophobicContact CB-CH2 3.8Å; Q499-W503 HydrophobicContact CB-CZ2 4.41Å; Q499-W503 HydrophobicContact CB-CZ3 3.49Å; Q499-W503 VanDerWaalsContact CB-CZ3 3.49Å; Q499-W503 HydrophobicContact CG-CH2 4.27Å; Q499-W503 HydrophobicContact CG-CZ3 4.42Å; Q499-W503 PolarHBondContact O-N 2.91Å; I501-W503 VanDerWaalsContact C-N 3.31Å; I501-W503 PolarHBondContact O-N 3.1Å; W503-I505 HydrophobicContact CB-CD1 4.31Å; W503-I505 HydrophobicContact CB-CG1 4.02Å; W503-I505 HydrophobicContact CB-CG2 4.33Å; W503-I505 HydrophobicContact CE3-CD1 4.01Å; W503-I505 PolarHBondContact O-N 2.95Å
504D98.6Very high98.2Very high13 Ų1321 Ų217%0.0712%0.119CC..THydrogen-bonded Turntrans60.528-177.4-149.87.5000114.4R74 R363 R364 G500 I501 I502R74-D504 VanDerWaalsContact NH2-CB 3.33Å; R74-D504 IonicContact NH2-OD2 2.75Å; R363-D504 CarbonylContact C-O 3.54Å; R363-D504 WeakPolarHBondContact CA-O 3.44Å; R363-D504 HydrophobicContact CB-CB 4.2Å; R363-D504 WeakPolarHBondContact CB-O 3.23Å; R363-D504 HydrophobicContact CG-CB 3.98Å; R364-D504 WeakPolarHBondContact CD-OD1 3.21Å; R364-D504 PolarHBondContact N-O 2.89Å; R364-D504 VanDerWaalsContact NH1-CA 3.26Å; R364-D504 PolarHBondContact NH1-O 2.84Å; R364-D504 IonicContact NH1-OD1 3.05Å; R364-D504 PolarHBondContact NH1-OD1 2.88Å; G500-D504 PolarHBondContact O-N 2.52Å; I501-D504 PolarHBondContact O-N 2.87Å; I502-D504 PolarHBondContact O-N 3.06Å
505I98.8Very high98.1Very high0 Ų026.2 Ų26.20%015%0.146CC..BIsolated β-bridgetrans-106.8164.6178.961.5170.6000113.7N358 K360 R364 V369 T373 G500 W503N358-I505 HydrophobicContact CB-CD1 4.02Å; N358-I505 WeakPolarHBondContact O-CD1 3.34Å; K360-I505 HydrophobicContact CB-CB 3.98Å; K360-I505 HydrophobicContact CB-CD1 3.87Å; K360-I505 HydrophobicContact CB-CG1 4.5Å; K360-I505 HydrophobicContact CB-CG2 4.06Å; K360-I505 HydrophobicContact CG-CB 4.48Å; K360-I505 HydrophobicContact CG-CD1 4.07Å; R364-I505 VanDerWaalsContact NH1-C 3.29Å; R364-I505 PolarHBondContact NH1-O 3.37Å; R364-I505 PolarHBondContact NH2-O 3.38Å; V369-I505 HydrophobicContact CG1-CG2 4.23Å; T373-I505 HydrophobicContact CG2-CD1 4.44Å; T373-I505 HydrophobicContact CG2-CG2 4.24Å; G500-I505 WeakPolarHBondContact O-CG1 2.97Å; G500-I505 PolarHBondContact O-N 2.85Å; W503-I505 HydrophobicContact CB-CD1 4.31Å; W503-I505 HydrophobicContact CB-CG1 4.02Å; W503-I505 HydrophobicContact CB-CG2 4.33Å; W503-I505 HydrophobicContact CE3-CD1 4.01Å; W503-I505 PolarHBondContact O-N 2.95Å
506N98.8Very high98Very high3 Ų328.4 Ų28.42%0.01617%0.17CC..  trans-86.1108.4171.8-168.2-2000111.4N90 F91 T92 K360 F508 D509N90-N506 PolarHBondContact OD1-ND2 2.9Å; F91-N506 HydrophobicContact CD1-CB 4.41Å; F91-N506 HydrophobicContact CE1-CB 3.52Å; F91-N506 HydrophobicContact CZ-CB 3.6Å; T92-N506 PolarHBondContact OG1-ND2 2.89Å; K360-N506 PolarHBondContact NZ-O 3.43Å; N506-F508 PolarHBondContact O-N 2.72Å; N506-F508 PolarHBondContact OD1-N 2.86Å; N506-D509 WeakPolarHBondContact CB-OD2 3.19Å; N506-D509 WeakPolarHBondContact ND2-CB 3.38Å; N506-D509 VanDerWaalsContact ND2-CG 3.25Å; N506-D509 PolarHBondContact ND2-OD2 3.33Å
507S98.9Very high97.8Very high0 Ų034.5 Ų34.50%020%0.196CC..SBendtrans-74.1-5.2176.2-59.90000114R271 S357 N358 G500R271-S507 PolarHBondContact NH2-O 2.66Å; S357-S507 VanDerWaalsContact CA-O 3.29Å; S357-S507 WeakPolarHBondContact CA-O 3.41Å; S357-S507 VanDerWaalsContact CB-O 3.24Å; S357-S507 WeakPolarHBondContact CB-O 3.35Å; S357-S507 WeakPolarHBondContact O-CA 3.14Å; S357-S507 PolarHBondContact OG-O 3.24Å; N358-S507 PolarHBondContact OD1-OG 2.89Å; G500-S507 WeakPolarHBondContact CA-OG 3.13Å
508F98.7Very high97.6Very high12 Ų1240 Ų405%0.05322%0.222CC..SBendtrans-120-7.8-162.8-54.9-63.8000115.1M83 I89 N90 V97 Y272 F497 N506M83-F508 HydrophobicContact SD-CZ 4.33Å; I89-F508 HydrophobicContact CD1-CD2 4.32Å; I89-F508 HydrophobicContact CD1-CE2 3.66Å; I89-F508 HydrophobicContact CD1-CZ 4.37Å; I89-F508 HydrophobicContact CG1-CD2 4.41Å; I89-F508 HydrophobicContact CG1-CE2 4.23Å; N90-F508 HydrophobicContact CB-CB 3.91Å; N90-F508 PolarHBondContact ND2-O 2.8Å; V97-F508 HydrophobicContact CB-CD1 4.46Å; V97-F508 HydrophobicContact CB-CD2 4.36Å; V97-F508 HydrophobicContact CB-CE2 4.41Å; V97-F508 HydrophobicContact CB-CG 4.33Å; V97-F508 HydrophobicContact CB-CZ 4.49Å; V97-F508 HydrophobicContact CG1-CD1 3.48Å; V97-F508 VanDerWaalsContact CG1-CD1 3.48Å; V97-F508 HydrophobicContact CG1-CD2 4.11Å; V97-F508 HydrophobicContact CG1-CE1 3.41Å; V97-F508 VanDerWaalsContact CG1-CE1 3.41Å; V97-F508 HydrophobicContact CG1-CE2 4.01Å; V97-F508 HydrophobicContact CG1-CG 3.82Å; V97-F508 HydrophobicContact CG1-CZ 3.64Å; V97-F508 HydrophobicContact CG2-CB 3.86Å; V97-F508 HydrophobicContact CG2-CD1 4.16Å; V97-F508 HydrophobicContact CG2-CD2 3.64Å; V97-F508 HydrophobicContact CG2-CE2 4.14Å; V97-F508 HydrophobicContact CG2-CG 3.6Å; Y272-F508 AromaticContact CE2-CD1 3.95Å; Y272-F508 HydrophobicContact CE2-CD1 3.95Å; Y272-F508 HydrophobicContact CE2-CE1 4.07Å; F497-F508 AromaticContact CD2-CE2 3.99Å; F497-F508 HydrophobicContact CD2-CE2 3.99Å; F497-F508 AromaticContact CD2-CZ 3.65Å; F497-F508 HydrophobicContact CD2-CZ 3.65Å; F497-F508 HydrophobicContact CE2-CE2 4.31Å; F497-F508 HydrophobicContact CE2-CZ 4.32Å; N506-F508 PolarHBondContact O-N 2.72Å; N506-F508 PolarHBondContact OD1-N 2.86Å
509D98Very high97.6Very high11 Ų1144.1 Ų44.16%0.05924%0.243CC..  trans-93.6177.9167.568.325.3000112T92 R271 K360 N506T92-D509 WeakPolarHBondContact CG2-OD2 3.14Å; T92-D509 WeakPolarHBondContact OG1-CB 3.46Å; T92-D509 PolarHBondContact OG1-OD2 3.09Å; R271-D509 PolarHBondContact NH2-O 2.89Å; K360-D509 WeakPolarHBondContact CE-OD1 3.38Å; K360-D509 PolarHBondContact NZ-O 3.16Å; K360-D509 IonicContact NZ-OD1 2.7Å; K360-D509 PolarHBondContact NZ-OD1 3.13Å; N506-D509 WeakPolarHBondContact CB-OD2 3.19Å; N506-D509 WeakPolarHBondContact ND2-CB 3.38Å; N506-D509 VanDerWaalsContact ND2-CG 3.25Å; N506-D509 PolarHBondContact ND2-OD2 3.33Å
510Q97.3Very high97.5Very high55 Ų5546.3 Ų46.326%0.25726%0.261SS..  trans-15545.9175.557.5-79.8-35.300113E356 G512 V513E356-Q510 HydrophobicContact CG-CB 4Å; Q510-G512 PolarHBondContact O-N 3.45Å; Q510-V513 HydrophobicContact CB-CG1 4.42Å; Q510-V513 HydrophobicContact CG-CG2 4.42Å; Q510-V513 WeakPolarHBondContact O-CG2 3.32Å; Q510-V513 PolarHBondContact O-N 2.98Å
511W97.9Very high97.3Very high119 Ų11953.9 Ų53.945%0.45129%0.294SS..G310 helixtrans-55.8-25.4-176.7-63.9109.1000114.7T92 E93 V513 E514T92-W511 PolarHBondContact OG1-NE1 3.24Å; T92-W511 VanDerWaalsContact OG1-NE1 3.14Å; E93-W511 HydrophobicContact CG-CZ2 3.88Å; W511-V513 PolarHBondContact O-N 3.45Å; W511-E514 VanDerWaalsContact CE3-CD 3.49Å; W511-E514 HydrophobicContact CE3-CG 4.44Å; W511-E514 VanDerWaalsContact CE3-OE1 3.31Å; W511-E514 WeakPolarHBondContact CZ3-OE1 3.45Å; W511-E514 PolarHBondContact O-N 2.78Å
512G97.7Very high97.3Very high79 Ų7957.4 Ų57.481%0.81432%0.316SS*.G310 helixtrans-61-14.5179.200000115.4Q510Q510-G512 PolarHBondContact O-N 3.45Å
513V94.9Very high97.2Very high55 Ų5559.6 Ų59.633%0.33333%0.327SS..G310 helixtrans-85.2-10.1179.8-50.50000113.8Q510 W511 K517Q510-V513 HydrophobicContact CB-CG1 4.42Å; Q510-V513 HydrophobicContact CG-CG2 4.42Å; Q510-V513 WeakPolarHBondContact O-CG2 3.32Å; Q510-V513 PolarHBondContact O-N 2.98Å; W511-V513 PolarHBondContact O-N 3.45Å; V513-K517 WeakPolarHBondContact O-CG 3.31Å
514E94.3Very high97.1Very high85 Ų8563.2 Ų63.240%0.39734%0.344SS..Hα-helixtrans-75.6-42.2-169.3-66.4-165.8152.200113.8W511 G516 K517 Q518W511-E514 VanDerWaalsContact CE3-CD 3.49Å; W511-E514 HydrophobicContact CE3-CG 4.44Å; W511-E514 VanDerWaalsContact CE3-OE1 3.31Å; W511-E514 WeakPolarHBondContact CZ3-OE1 3.45Å; W511-E514 PolarHBondContact O-N 2.78Å; E514-G516 PolarHBondContact O-N 2.78Å; E514-K517 WeakPolarHBondContact O-CB 3.34Å; E514-K517 PolarHBondContact O-N 2.76Å; E514-K517 VanDerWaalsContact O-N 3.12Å; E514-Q518 WeakPolarHBondContact O-CG 3.37Å; E514-Q518 PolarHBondContact O-N 3.46Å
515L96.8Very high96.9Very high110 Ų11066.1 Ų66.158%0.57636%0.364SS*.Hα-helixtrans-59.4-46.4-175.2178.860.7000111.6K517 Q518 L519L515-K517 VanDerWaalsContact C-N 3.31Å; L515-K517 PolarHBondContact O-N 2.83Å; L515-Q518 PolarHBondContact O-N 2.74Å; L515-L519 HydrophobicContact CD1-CD1 4.08Å; L515-L519 HydrophobicContact CD1-CG 4.13Å; L515-L519 HydrophobicContact CG-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 2.88Å
516G96.4Very high96.8Very high49 Ų4968.2 Ų68.251%0.50537%0.373SS..Hα-helixtrans-58.8-42.5176.900000112.4E514 L519 A520E514-G516 PolarHBondContact O-N 2.78Å; G516-L519 PolarHBondContact O-N 3.28Å; G516-A520 VanDerWaalsContact O-CB 3.32Å; G516-A520 WeakPolarHBondContact O-CB 3.13Å; G516-A520 PolarHBondContact O-N 3.05Å
517K93.9Very high96.6Very high129 Ų12970.4 Ų70.456%0.56139%0.385SS*.Hα-helixtrans-64.2-42.1177.2-68.6174.4-178.9177.10112.2V513 E514 L515 K521V513-K517 WeakPolarHBondContact O-CG 3.31Å; E514-K517 WeakPolarHBondContact O-CB 3.34Å; E514-K517 PolarHBondContact O-N 2.76Å; E514-K517 VanDerWaalsContact O-N 3.12Å; L515-K517 VanDerWaalsContact C-N 3.31Å; L515-K517 PolarHBondContact O-N 2.83Å; K517-K521 PolarHBondContact O-N 3.19Å; K517-K521 VanDerWaalsContact O-N 3.17Å
518Q96.3Very high96.3Very high117 Ų11779.5 Ų79.555%0.54742%0.419SS..Hα-helixtrans-62.8-48.4177.6-70.8173.4-6.800111.4E514 L515 K521 V522E514-Q518 WeakPolarHBondContact O-CG 3.37Å; E514-Q518 PolarHBondContact O-N 3.46Å; L515-Q518 PolarHBondContact O-N 2.74Å; Q518-K521 PolarHBondContact O-N 3.33Å; Q518-V522 PolarHBondContact O-N 2.7Å
519L97.9Very high96Very high87 Ų8780.7 Ų80.746%0.45543%0.431SS..Hα-helixtrans-64.8-42.8180-65.6177.2000112L515 G516 K521 V522 I523L515-L519 HydrophobicContact CD1-CD1 4.08Å; L515-L519 HydrophobicContact CD1-CG 4.13Å; L515-L519 HydrophobicContact CG-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 2.88Å; G516-L519 PolarHBondContact O-N 3.28Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 3.45Å; L519-V522 PolarHBondContact O-N 3.4Å; L519-V522 VanDerWaalsContact O-N 3.12Å; L519-I523 WeakPolarHBondContact O-CG1 3.47Å; L519-I523 PolarHBondContact O-N 2.86Å
520A97.2Very high95.6Very high46 Ų4689.8 Ų89.838%0.3847%0.47SS..Hα-helixtrans-59.1-41.2177.200000112.3G516 V522 I523 Q524G516-A520 VanDerWaalsContact O-CB 3.32Å; G516-A520 WeakPolarHBondContact O-CB 3.13Å; G516-A520 PolarHBondContact O-N 3.05Å; A520-V522 VanDerWaalsContact C-N 3.27Å; A520-V522 PolarHBondContact O-N 3.34Å; A520-I523 PolarHBondContact O-N 2.95Å; A520-Q524 WeakPolarHBondContact O-CB 3.38Å; A520-Q524 PolarHBondContact O-N 3.18Å
521K95.5Very high95.4Very high159 Ų15993.6 Ų93.669%0.69149%0.488SS*.Hα-helixtrans-62.7-32.8177.4-171.2177.1-179.8-179.50112.8K517 Q518 L519 P525K517-K521 PolarHBondContact O-N 3.19Å; K517-K521 VanDerWaalsContact O-N 3.17Å; Q518-K521 PolarHBondContact O-N 3.33Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 3.45Å; K521-P525 VanDerWaalsContact O-CD 3.24Å; K521-P525 WeakPolarHBondContact O-CD 3.33Å
522V96.9Very high95.3Very high77 Ų7792 Ų9247%0.46750%0.495SS..Hα-helixtrans-75.1-42.4175.91760000111.2Q518 L519 A520 P525Q518-V522 PolarHBondContact O-N 2.7Å; L519-V522 PolarHBondContact O-N 3.4Å; L519-V522 VanDerWaalsContact O-N 3.12Å; A520-V522 VanDerWaalsContact C-N 3.27Å; A520-V522 PolarHBondContact O-N 3.34Å; V522-P525 WeakPolarHBondContact O-CD 3.33Å; V522-P525 WeakPolarHBondContact O-CG 3.17Å
523I97.3Very high95.3Very high45 Ų4588.5 Ų88.523%0.23146%0.458CS..Hα-helixtrans-72-39.1-176.2-67.6165.8000111.9L519 A520 Q526 L527 T540L519-I523 WeakPolarHBondContact O-CG1 3.47Å; L519-I523 PolarHBondContact O-N 2.86Å; A520-I523 PolarHBondContact O-N 2.95Å; I523-Q526 WeakPolarHBondContact O-CB 3.46Å; I523-Q526 PolarHBondContact O-N 2.91Å; I523-L527 HydrophobicContact CG2-CD1 4.21Å; I523-L527 HydrophobicContact CG2-CG 4.14Å; I523-L527 PolarHBondContact O-N 3.15Å; I523-T540 HydrophobicContact CD1-CG2 4.24Å
524Q96.1Very high95.5Very high77 Ų7791.4 Ų91.436%0.3648%0.476SS..Hα-helixtrans-49.2-51.9-174.8-176-178.221.600114.8A520 Q526 L527A520-Q524 WeakPolarHBondContact O-CB 3.38Å; A520-Q524 PolarHBondContact O-N 3.18Å; Q524-Q526 VanDerWaalsContact C-N 3.28Å; Q524-Q526 PolarHBondContact O-N 3.38Å; Q524-L527 PolarHBondContact O-N 3.19Å
525P96Very high95.6Very high74 Ų7490.9 Ų90.948%0.48148%0.482SS..Hα-helixtrans-65.4-28.9178.224.9-34.7000113.3K521 V522 L527 R528 A529K521-P525 VanDerWaalsContact O-CD 3.24Å; K521-P525 WeakPolarHBondContact O-CD 3.33Å; V522-P525 WeakPolarHBondContact O-CD 3.33Å; V522-P525 WeakPolarHBondContact O-CG 3.17Å; P525-L527 VanDerWaalsContact C-N 3.31Å; P525-L527 PolarHBondContact O-N 3.39Å; P525-R528 PolarHBondContact O-N 3.28Å; P525-R528 VanDerWaalsContact O-N 3.13Å; P525-A529 PolarHBondContact O-N 3.18Å; P525-A529 VanDerWaalsContact O-N 3.1Å
526Q96.3Very high95.7Very high44 Ų4488 Ų8821%0.20647%0.465CS..Hα-helixtrans-69.9-29.2-178.9-58.5178.1-28.600112.6I523 Q524 R528 A529 V533 S535 H536 K548I523-Q526 WeakPolarHBondContact O-CB 3.46Å; I523-Q526 PolarHBondContact O-N 2.91Å; Q524-Q526 VanDerWaalsContact C-N 3.28Å; Q524-Q526 PolarHBondContact O-N 3.38Å; Q526-R528 PolarHBondContact O-N 3.07Å; Q526-A529 PolarHBondContact O-N 3.13Å; Q526-V533 HydrophobicContact CB-CG2 3.94Å; Q526-S535 PolarHBondContact NE2-OG 3.2Å; Q526-H536 PolarHBondContact OE1-NE2 3.36Å; Q526-K548 PolarHBondContact O-NZ 3.27Å
527L95.4Very high95.8Very high48 Ų4889.9 Ų89.925%0.25146%0.463SS..Hα-helixtrans-69.3-22.5173.1-62.8178.6000112.8I523 Q524 P525 A544 K551I523-L527 HydrophobicContact CG2-CD1 4.21Å; I523-L527 HydrophobicContact CG2-CG 4.14Å; I523-L527 PolarHBondContact O-N 3.15Å; Q524-L527 PolarHBondContact O-N 3.19Å; P525-L527 VanDerWaalsContact C-N 3.31Å; P525-L527 PolarHBondContact O-N 3.39Å; L527-A544 HydrophobicContact CD2-CB 4.13Å; L527-K551 PolarHBondContact O-NZ 2.79Å
528R90.9Very high96Very high191 Ų19188.6 Ų88.672%0.72147%0.471SS*.Hα-helixtrans-88.2-32.6175.2-66.3-177.2178178.3-0.8112.8P525 Q526P525-R528 PolarHBondContact O-N 3.28Å; P525-R528 VanDerWaalsContact O-N 3.13Å; Q526-R528 PolarHBondContact O-N 3.07Å
529A92.3Very high96.1Very high38 Ų3886.3 Ų86.331%0.31447%0.468SS..SBendtrans-57.7156.5178.800000111.7P525 Q526 E531 K548P525-A529 PolarHBondContact O-N 3.18Å; P525-A529 VanDerWaalsContact O-N 3.1Å; Q526-A529 PolarHBondContact O-N 3.13Å; A529-E531 WeakPolarHBondContact CB-OE2 3.23Å; A529-K548 WeakPolarHBondContact O-CE 3.27Å; A529-K548 PolarHBondContact O-NZ 3.37Å
530K89.9Confident96.1Very high202 Ų20284.2 Ų84.288%0.87846%0.459SS*.SBendtrans-84.1-30178.7-71.3-175.2178-178.80111.9
531E94Very high96.2Very high135 Ų13583.1 Ų83.163%0.63145%0.446SS*.SBendtrans-69.6142.7-173.5-59.377.4-171.700111.7A529 V533 K548A529-E531 WeakPolarHBondContact CB-OE2 3.23Å; E531-V533 PolarHBondContact O-N 3.37Å; E531-K548 PolarHBondContact O-NZ 2.99Å
532S95.6Very high96.3Very high84 Ų8478.3 Ų78.359%0.58744%0.436SS*.PPolyproline II helixtrans-58.9139173-56.40000111.3N545S532-N545 WeakPolarHBondContact CA-OD1 3.41Å
533V97.7Very high96.4Very high6 Ų679.3 Ų79.34%0.03644%0.439CS..PPolyproline II helixtrans-79.2125.9177.3-173.50000109.2Q526 E531 N541 A544 N545 K548Q526-V533 HydrophobicContact CB-CG2 3.94Å; E531-V533 PolarHBondContact O-N 3.37Å; V533-N541 WeakPolarHBondContact O-CB 3.08Å; V533-A544 HydrophobicContact CB-CB 4.03Å; V533-A544 HydrophobicContact CG1-CB 4.34Å; V533-A544 HydrophobicContact CG2-CB 3.93Å; V533-N545 PolarHBondContact N-OD1 3.02Å; V533-N545 PolarHBondContact O-ND2 3.4Å; V533-K548 HydrophobicContact CG2-CD 4.13Å
534T97.7Very high96.4Very high116 Ų11677.5 Ų77.571%0.71243%0.43SS*.  trans-136.22.9-178.253.40000113.2N541T534-N541 PolarHBondContact O-ND2 3.31Å
535S97.5Very high96.5Very high75 Ų7575.2 Ų75.252%0.52442%0.42SS..SBendtrans-86.5-3.7-170.962.60000115Q526 N541Q526-S535 PolarHBondContact NE2-OG 3.2Å; S535-N541 PolarHBondContact N-OD1 2.9Å
536H98Very high96.6Very high48 Ų4877.7 Ų77.722%0.22242%0.424CS..SBendtrans-116-172.9-176.9-54.5-77.6000111.4Q526 T540 N541Q526-H536 PolarHBondContact OE1-NE2 3.36Å; H536-T540 HydrophobicContact CB-CG2 3.67Å; H536-N541 WeakPolarHBondContact CB-OD1 3.41Å; H536-N541 PolarHBondContact N-OD1 3.46Å; H536-N541 PolarHBondContact O-ND2 2.86Å
537D98.6Very high96.6Very high89 Ų8979.5 Ų79.548%0.47643%0.434SS..  trans-59.3160.916769.490.9000111.6S539 T540 N541D537-S539 PolarHBondContact O-N 3.38Å; D537-S539 VanDerWaalsContact O-N 3.17Å; D537-S539 WeakPolarHBondContact OD1-CA 3.18Å; D537-S539 WeakPolarHBondContact OD1-CB 3.49Å; D537-S539 PolarHBondContact OD1-N 3.33Å; D537-T540 PolarHBondContact O-N 3.12Å; D537-T540 PolarHBondContact OD1-N 3.01Å; D537-T540 VanDerWaalsContact OD2-CB 3.29Å; D537-T540 WeakPolarHBondContact OD2-CB 3.44Å; D537-T540 PolarHBondContact OD2-OG1 3.34Å; D537-N541 WeakPolarHBondContact O-CB 3.28Å; D537-N541 VanDerWaalsContact O-CG 3.28Å; D537-N541 PolarHBondContact O-N 2.79Å; D537-N541 PolarHBondContact O-ND2 3.26Å
538S98.5Very high96.6Very high103 Ų10378.8 Ų78.872%0.7243%0.429SS*.Hα-helixtrans-59.6-30.2-175.755.40000113.5A542S538-A542 VanDerWaalsContact O-CB 3.23Å; S538-A542 WeakPolarHBondContact O-CB 3.31Å; S538-A542 PolarHBondContact O-N 3.28Å
539S98.8Very high96.8Very high69 Ų6976.8 Ų76.848%0.48343%0.428SS..Hα-helixtrans-71.6-54.2178.8-172.40000110.7D537 N541 A542 L543D537-S539 PolarHBondContact O-N 3.38Å; D537-S539 VanDerWaalsContact O-N 3.17Å; D537-S539 WeakPolarHBondContact OD1-CA 3.18Å; D537-S539 WeakPolarHBondContact OD1-CB 3.49Å; D537-S539 PolarHBondContact OD1-N 3.33Å; S539-N541 VanDerWaalsContact C-N 3.28Å; S539-N541 PolarHBondContact O-N 2.99Å; S539-A542 PolarHBondContact O-N 3.02Å; S539-L543 WeakPolarHBondContact O-CB 3.18Å; S539-L543 WeakPolarHBondContact O-CG 3.2Å; S539-L543 PolarHBondContact O-N 2.83Å
540T98.6Very high97Very high42 Ų4279.6 Ų79.626%0.25844%0.438SS..Hα-helixtrans-58.4-41.6178.7-61.70000111.6I523 H536 D537 A544I523-T540 HydrophobicContact CD1-CG2 4.24Å; H536-T540 HydrophobicContact CB-CG2 3.67Å; D537-T540 PolarHBondContact O-N 3.12Å; D537-T540 PolarHBondContact OD1-N 3.01Å; D537-T540 VanDerWaalsContact OD2-CB 3.29Å; D537-T540 WeakPolarHBondContact OD2-CB 3.44Å; D537-T540 PolarHBondContact OD2-OG1 3.34Å; T540-A544 VanDerWaalsContact O-CB 3.31Å; T540-A544 WeakPolarHBondContact O-CB 3.26Å; T540-A544 PolarHBondContact O-N 3.47Å
541N98.5Very high97Very high23 Ų2373 Ų7312%0.12341%0.409CS..Hα-helixtrans-61.5-50.2175.7-70-22.4000111.8V533 T534 S535 H536 D537 S539 L543 A544 N545V533-N541 WeakPolarHBondContact O-CB 3.08Å; T534-N541 PolarHBondContact O-ND2 3.31Å; S535-N541 PolarHBondContact N-OD1 2.9Å; H536-N541 WeakPolarHBondContact CB-OD1 3.41Å; H536-N541 PolarHBondContact N-OD1 3.46Å; H536-N541 PolarHBondContact O-ND2 2.86Å; D537-N541 WeakPolarHBondContact O-CB 3.28Å; D537-N541 VanDerWaalsContact O-CG 3.28Å; D537-N541 PolarHBondContact O-N 2.79Å; D537-N541 PolarHBondContact O-ND2 3.26Å; S539-N541 VanDerWaalsContact C-N 3.28Å; S539-N541 PolarHBondContact O-N 2.99Å; N541-L543 VanDerWaalsContact C-N 3.34Å; N541-L543 PolarHBondContact O-N 3.49Å; N541-A544 PolarHBondContact O-N 3.46Å; N541-N545 WeakPolarHBondContact O-CB 3.44Å; N541-N545 VanDerWaalsContact O-CG 3.29Å; N541-N545 PolarHBondContact O-N 3.47Å; N541-N545 PolarHBondContact O-ND2 3.46Å
542A98.5Very high96.5Very high58 Ų5873.4 Ų73.448%0.47942%0.421SS..Hα-helixtrans-61.2-43.4-179.100000111.6S538 S539 N545 F546S538-A542 VanDerWaalsContact O-CB 3.23Å; S538-A542 WeakPolarHBondContact O-CB 3.31Å; S538-A542 PolarHBondContact O-N 3.28Å; S539-A542 PolarHBondContact O-N 3.02Å; A542-N545 PolarHBondContact O-N 2.71Å; A542-F546 VanDerWaalsContact O-CB 3.28Å; A542-F546 WeakPolarHBondContact O-CB 3.4Å; A542-F546 PolarHBondContact O-N 3.28Å
543L98.4Very high95.7Very high99 Ų9980.5 Ų80.552%0.51844%0.435SS..Hα-helixtrans-63.2-47.7176.7-70.8170.3000111.9S539 N541 N545 F546 I547S539-L543 WeakPolarHBondContact O-CB 3.18Å; S539-L543 WeakPolarHBondContact O-CG 3.2Å; S539-L543 PolarHBondContact O-N 2.83Å; N541-L543 VanDerWaalsContact C-N 3.34Å; N541-L543 PolarHBondContact O-N 3.49Å; L543-N545 VanDerWaalsContact C-N 3.32Å; L543-N545 PolarHBondContact O-N 3.21Å; L543-F546 PolarHBondContact O-N 2.95Å; L543-I547 WeakPolarHBondContact O-CB 3.37Å; L543-I547 WeakPolarHBondContact O-CD1 3.47Å; L543-I547 VanDerWaalsContact O-CG1 3.23Å; L543-I547 WeakPolarHBondContact O-CG1 3.41Å; L543-I547 PolarHBondContact O-N 3.26Å
544A97.7Very high95.6Very high6 Ų684.3 Ų84.35%0.0546%0.455CS..Hα-helixtrans-60.8-42.4178.900000111.6L527 V533 T540 N541 I547 K548L527-A544 HydrophobicContact CD2-CB 4.13Å; V533-A544 HydrophobicContact CB-CB 4.03Å; V533-A544 HydrophobicContact CG1-CB 4.34Å; V533-A544 HydrophobicContact CG2-CB 3.93Å; T540-A544 VanDerWaalsContact O-CB 3.31Å; T540-A544 WeakPolarHBondContact O-CB 3.26Å; T540-A544 PolarHBondContact O-N 3.47Å; N541-A544 PolarHBondContact O-N 3.46Å; A544-I547 PolarHBondContact O-N 2.69Å; A544-K548 WeakPolarHBondContact O-CB 3.25Å; A544-K548 WeakPolarHBondContact O-CG 3.49Å; A544-K548 PolarHBondContact O-N 2.75Å
545N97.7Very high95.5Very high29 Ų2982.6 Ų82.616%0.15544%0.441CS..Hα-helixtrans-68.5-43.7177.6-68.1-34.7000111.9S532 V533 N541 A542 L543 I547 K548 E549S532-N545 WeakPolarHBondContact CA-OD1 3.41Å; V533-N545 PolarHBondContact N-OD1 3.02Å; V533-N545 PolarHBondContact O-ND2 3.4Å; N541-N545 WeakPolarHBondContact O-CB 3.44Å; N541-N545 VanDerWaalsContact O-CG 3.29Å; N541-N545 PolarHBondContact O-N 3.47Å; N541-N545 PolarHBondContact O-ND2 3.46Å; A542-N545 PolarHBondContact O-N 2.71Å; L543-N545 VanDerWaalsContact C-N 3.32Å; L543-N545 PolarHBondContact O-N 3.21Å; N545-I547 VanDerWaalsContact C-N 3.31Å; N545-I547 PolarHBondContact O-N 3.01Å; N545-K548 PolarHBondContact O-N 3.11Å; N545-K548 VanDerWaalsContact O-N 3.08Å; N545-E549 WeakPolarHBondContact O-CG 3.3Å; N545-E549 PolarHBondContact O-N 2.95Å
546F97.6Very high95.4Very high126 Ų12683 Ų8355%0.55344%0.437SS*.Hα-helixtrans-57.2-44.7174-176.8-91.9000111.6A542 L543 K548 E549 N550A542-F546 VanDerWaalsContact O-CB 3.28Å; A542-F546 WeakPolarHBondContact O-CB 3.4Å; A542-F546 PolarHBondContact O-N 3.28Å; L543-F546 PolarHBondContact O-N 2.95Å; F546-K548 VanDerWaalsContact C-N 3.35Å; F546-K548 PolarHBondContact O-N 2.82Å; F546-E549 PolarHBondContact O-N 2.98Å; F546-N550 WeakPolarHBondContact O-CB 3.29Å; F546-N550 PolarHBondContact O-N 3.37Å; F546-N550 VanDerWaalsContact O-N 3.14Å; F546-N550 PolarHBondContact O-ND2 3.36Å
547I97.1Very high95.2Very high82 Ų8285.1 Ų85.142%0.42145%0.449SS..Hα-helixtrans-61-44.4175.3-69.9163000110.7L543 A544 N545 E549 N550 K551L543-I547 WeakPolarHBondContact O-CB 3.37Å; L543-I547 WeakPolarHBondContact O-CD1 3.47Å; L543-I547 VanDerWaalsContact O-CG1 3.23Å; L543-I547 WeakPolarHBondContact O-CG1 3.41Å; L543-I547 PolarHBondContact O-N 3.26Å; A544-I547 PolarHBondContact O-N 2.69Å; N545-I547 VanDerWaalsContact C-N 3.31Å; N545-I547 PolarHBondContact O-N 3.01Å; I547-E549 VanDerWaalsContact C-N 3.34Å; I547-E549 PolarHBondContact O-N 3.09Å; I547-N550 PolarHBondContact O-N 3.04Å; I547-K551 WeakPolarHBondContact O-CB 3.35Å; I547-K551 PolarHBondContact O-N 2.76Å
548K95Very high95Very high34 Ų3484.8 Ų84.815%0.14845%0.447CS..Hα-helixtrans-65.1-36.6-179.8-73.717369.9153.80113Q526 A529 E531 V533 A544 N545 F546 N550Q526-K548 PolarHBondContact O-NZ 3.27Å; A529-K548 WeakPolarHBondContact O-CE 3.27Å; A529-K548 PolarHBondContact O-NZ 3.37Å; E531-K548 PolarHBondContact O-NZ 2.99Å; V533-K548 HydrophobicContact CG2-CD 4.13Å; A544-K548 WeakPolarHBondContact O-CB 3.25Å; A544-K548 WeakPolarHBondContact O-CG 3.49Å; A544-K548 PolarHBondContact O-N 2.75Å; N545-K548 PolarHBondContact O-N 3.11Å; N545-K548 VanDerWaalsContact O-N 3.08Å; F546-K548 VanDerWaalsContact C-N 3.35Å; F546-K548 PolarHBondContact O-N 2.82Å; K548-N550 VanDerWaalsContact C-N 3.32Å
549E95.2Very high94.8Very high149 Ų14983.6 Ų83.670%0.69643%0.429SS*.Hα-helixtrans-70.5-28.9177-73169.3-169.200112.4N545 F546 I547N545-E549 WeakPolarHBondContact O-CG 3.3Å; N545-E549 PolarHBondContact O-N 2.95Å; F546-E549 PolarHBondContact O-N 2.98Å; I547-E549 VanDerWaalsContact C-N 3.34Å; I547-E549 PolarHBondContact O-N 3.09Å
550N96Very high94.5Very high97 Ų9784.6 Ų84.652%0.51943%0.426SS..Hα-helixtrans-107.8-5.6-173-69.6-86.7000114.7F546 I547 K548F546-N550 WeakPolarHBondContact O-CB 3.29Å; F546-N550 PolarHBondContact O-N 3.37Å; F546-N550 VanDerWaalsContact O-N 3.14Å; F546-N550 PolarHBondContact O-ND2 3.36Å; I547-N550 PolarHBondContact O-N 3.04Å; K548-N550 VanDerWaalsContact C-N 3.32Å
551K89.8Confident94.2Very high64 Ų6487.9 Ų87.928%0.27844%0.438SS..  trans-75.3142.3178.369.8175.9-172.3169.20111.5L527 I547L527-K551 PolarHBondContact O-NZ 2.79Å; I547-K551 WeakPolarHBondContact O-CB 3.35Å; I547-K551 PolarHBondContact O-N 2.76Å
552T83.7Confident93.8Very high143 Ų14393.3 Ų93.388%0.87747%0.465SS*.  trans-112.512179.960.70000113.6
553W79.1Confident93.4Very high233 Ų23396.5 Ų96.588%0.88346%0.463SS*.  trans-126.10-176.756.8-101.2000112.6

Retrieved 553 of 553 residues in 127.6 ms (Link to these results)

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