A0A077ZER5_TRITR Loading...

INTS8 TPR repeats domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZER5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 965 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
1M44.2Very low51Low236 Ų236135.2 Ų135.2100%1.16377%0.767SS**  0-9.60-79.6-164.7-162.800115
2Q47.6Very low52.2Low185 Ų185129.8 Ų129.886%0.86474%0.744SS**  trans-89.15.1175.5-75.7175.7-19.700115.1
3A46.9Very low53.5Low86 Ų86124 Ų12471%0.71171%0.714SS**THydrogen-bonded Turntrans-905.3-170.600000115.4
4L50.9Low55.2Low117 Ų117120 Ų12061%0.61369%0.689SS**THydrogen-bonded Turntrans-111.87.6-172.4-75.5164.1000114.7F6L4-F6 HydrophobicContact CD2-CE1 4.21Å; L4-F6 PolarHBondContact O-N 3.14Å
5N53.5Low56.9Low153 Ų153113.7 Ų113.782%0.81865%0.649SS**THydrogen-bonded Turntrans-72.19.1-178.3-76.70.5000115.1
6F54.5Low58.7Low154 Ų154111.3 Ų111.368%0.67563%0.633SS**THydrogen-bonded Turntrans-87-5.2175.767.6-92.9000113.5L4L4-F6 HydrophobicContact CD2-CE1 4.21Å; L4-F6 PolarHBondContact O-N 3.14Å
7L43.5Very low60.1Low97 Ų97108.2 Ų108.251%0.50861%0.614SS.*  trans-100.793.3175.4-63.6170.2000108.4V9L7-V9 PolarHBondContact O-N 3.25Å
8G49.5Very low61.5Low86 Ų86102.9 Ų102.989%0.88758%0.583SS**SBendtrans-68.218.7173.900000114.5
9V54.4Low62.7Low118 Ų11898.3 Ų98.372%0.71556%0.556SS**SBendtrans-142.6128.1-178.6-172.70000106.2L7L7-V9 PolarHBondContact O-N 3.25Å
10D56.4Low63.7Low151 Ų15198.8 Ų98.881%0.80756%0.556SS**PPolyproline II helixtrans-51.4134.9175-76.4-38.1000109.7S12D10-S12 PolarHBondContact O-N 3.41Å
11P59.2Low64.6Low104 Ų10495.6 Ų95.668%0.67554%0.54SS*.PPolyproline II helixtrans-56.1132.6-179.222.8-31.8000109.1
12S66.1Low66.5Low70 Ų7086.6 Ų86.649%0.4950%0.496SS..PPolyproline II helixtrans-56.3132.1178.468.40000109.1D10 N14 R43D10-S12 PolarHBondContact O-N 3.41Å; S12-N14 PolarHBondContact O-N 3Å; S12-R43 PolarHBondContact OG-NH1 3.34Å; S12-R43 PolarHBondContact OG-NH2 2.94Å
13P68.9Low68.2Low55 Ų5585 Ų8536%0.35749%0.489SS..PPolyproline II helixtrans-51.4136.1179.217.9-31.3000111.6D17 Y18 R43P13-D17 WeakPolarHBondContact CA-OD2 3.48Å; P13-D17 HydrophobicContact CB-CB 4.05Å; P13-Y18 HydrophobicContact CB-CE2 3.89Å; P13-Y18 HydrophobicContact CG-CE2 4.24Å; P13-Y18 WeakPolarHBondContact CG-OH 3.4Å; P13-R43 PolarHBondContact O-NH2 2.79Å
14N76.8Confident69.9Low68 Ų6885.8 Ų85.836%0.36448%0.476SS..PPolyproline II helixtrans-92.9164.8-179.4-168.5-3.1000109.9S12 I16 D17 Y18 E47S12-N14 PolarHBondContact O-N 3Å; N14-I16 PolarHBondContact O-N 2.71Å; N14-D17 PolarHBondContact N-OD2 2.75Å; N14-D17 WeakPolarHBondContact O-CB 3.42Å; N14-D17 PolarHBondContact O-N 2.86Å; N14-Y18 VanDerWaalsContact O-CD2 3.22Å; N14-Y18 WeakPolarHBondContact O-CD2 3.4Å; N14-E47 PolarHBondContact OD1-OE2 3.11Å
15W81.6Confident71.5Confident25 Ų2580.2 Ų80.210%0.09545%0.447CS..Hα-helixtrans-50.5-32.4176.269.4-92000113.5D17 Y18 Y19 V44 E47 F48 Q51 L79W15-D17 VanDerWaalsContact C-N 3.33Å; W15-D17 PolarHBondContact O-N 3.12Å; W15-Y18 PolarHBondContact O-N 3.29Å; W15-Y19 HydrophobicContact CZ3-CD2 4.48Å; W15-Y19 HydrophobicContact CZ3-CG 4.35Å; W15-Y19 WeakPolarHBondContact O-CB 3.48Å; W15-Y19 PolarHBondContact O-N 3.35Å; W15-V44 HydrophobicContact CB-CG1 4.42Å; W15-E47 HydrophobicContact CB-CB 3.8Å; W15-E47 VanDerWaalsContact CB-OE2 3.29Å; W15-E47 WeakPolarHBondContact CB-OE2 3.31Å; W15-E47 HydrophobicContact CG-CB 3.94Å; W15-E47 PolarHBondContact N-OE2 3.21Å; W15-F48 HydrophobicContact CB-CD1 4.05Å; W15-F48 HydrophobicContact CB-CE1 3.8Å; W15-F48 HydrophobicContact CE3-CD1 4.39Å; W15-F48 HydrophobicContact CE3-CE1 4.41Å; W15-Q51 HydrophobicContact CD2-CG 4.23Å; W15-Q51 HydrophobicContact CH2-CG 4.01Å; W15-Q51 HydrophobicContact CZ2-CG 3.66Å; W15-Q51 HydrophobicContact CZ3-CG 4.44Å; W15-L79 HydrophobicContact CE3-CD2 4.13Å; W15-L79 HydrophobicContact CZ3-CD2 3.95Å
16I84.8Confident72.9Confident75 Ų7574.6 Ų74.639%0.38542%0.42SS..Hα-helixtrans-62.5-39.4177.6-62.2178000111.4N14 Y18 Y19 L20N14-I16 PolarHBondContact O-N 2.71Å; I16-Y18 PolarHBondContact O-N 2.94Å; I16-Y19 PolarHBondContact O-N 3.16Å; I16-L20 HydrophobicContact CG2-CD1 3.93Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.87Å
17D83.4Confident74.2Confident59 Ų5970.5 Ų70.532%0.31641%0.41SS..Hα-helixtrans-63.3-34.8-179.8-64.6-56.6000111.6P13 N14 W15 S21P13-D17 WeakPolarHBondContact CA-OD2 3.48Å; P13-D17 HydrophobicContact CB-CB 4.05Å; N14-D17 PolarHBondContact N-OD2 2.75Å; N14-D17 WeakPolarHBondContact O-CB 3.42Å; N14-D17 PolarHBondContact O-N 2.86Å; W15-D17 VanDerWaalsContact C-N 3.33Å; W15-D17 PolarHBondContact O-N 3.12Å; D17-S21 PolarHBondContact O-N 3.14Å
18Y84.9Confident76Confident13 Ų1366.9 Ų66.95%0.05139%0.391CS..Hα-helixtrans-79.5-34175.7-60.5-69.3000112.4P13 N14 W15 I16 L20 S21 K24 L25 L28 V44 M82P13-Y18 HydrophobicContact CB-CE2 3.89Å; P13-Y18 HydrophobicContact CG-CE2 4.24Å; P13-Y18 WeakPolarHBondContact CG-OH 3.4Å; N14-Y18 VanDerWaalsContact O-CD2 3.22Å; N14-Y18 WeakPolarHBondContact O-CD2 3.4Å; W15-Y18 PolarHBondContact O-N 3.29Å; I16-Y18 PolarHBondContact O-N 2.94Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-S21 CarbonylContact O-C 3.59Å; Y18-S21 VanDerWaalsContact O-C 3.32Å; Y18-S21 PolarHBondContact O-N 3.3Å; Y18-K24 HydrophobicContact CD1-CB 4.02Å; Y18-K24 HydrophobicContact CE1-CB 4.31Å; Y18-L25 HydrophobicContact CD1-CB 4.13Å; Y18-L25 HydrophobicContact CD1-CD1 4.28Å; Y18-L25 HydrophobicContact CG-CD1 4.49Å; Y18-L28 HydrophobicContact CE1-CB 4.33Å; Y18-L28 HydrophobicContact CE1-CD2 3.81Å; Y18-V44 HydrophobicContact CD2-CB 4.36Å; Y18-V44 HydrophobicContact CD2-CG1 3.69Å; Y18-V44 HydrophobicContact CD2-CG2 3.69Å; Y18-V44 HydrophobicContact CE2-CG1 4.29Å; Y18-V44 HydrophobicContact CE2-CG2 3.49Å; Y18-V44 VanDerWaalsContact CE2-CG2 3.49Å; Y18-V44 HydrophobicContact CG-CG1 4.21Å; Y18-M82 WeakPolarHBondContact O-CE 3.46Å
19Y84.7Confident77.4Confident16 Ų1662.9 Ų62.96%0.06335%0.35CS..Hα-helixtrans-62.9-40.9175.4-177.2-88.8000111.9W15 I16 R75 K78 L79 M82 D231W15-Y19 HydrophobicContact CZ3-CD2 4.48Å; W15-Y19 HydrophobicContact CZ3-CG 4.35Å; W15-Y19 WeakPolarHBondContact O-CB 3.48Å; W15-Y19 PolarHBondContact O-N 3.35Å; I16-Y19 PolarHBondContact O-N 3.16Å; Y19-R75 HydrophobicContact CE2-CG 4.49Å; Y19-R75 WeakPolarHBondContact OH-CG 3.36Å; Y19-K78 HydrophobicContact CD2-CD 4.4Å; Y19-K78 HydrophobicContact CD2-CG 4.34Å; Y19-K78 HydrophobicContact CE1-CD 4.41Å; Y19-K78 HydrophobicContact CE2-CB 4.1Å; Y19-K78 HydrophobicContact CE2-CD 3.71Å; Y19-K78 HydrophobicContact CE2-CG 3.7Å; Y19-K78 WeakPolarHBondContact O-CE 3.4Å; Y19-K78 PolarHBondContact O-NZ 3.37Å; Y19-L79 HydrophobicContact CD2-CD2 3.56Å; Y19-L79 HydrophobicContact CD2-CG 4.06Å; Y19-L79 HydrophobicContact CE2-CD2 3.87Å; Y19-L79 HydrophobicContact CE2-CG 3.82Å; Y19-M82 HydrophobicContact CD2-SD 3.8Å; Y19-M82 HydrophobicContact CG-SD 4.48Å; Y19-D231 PolarHBondContact OH-OD1 3.48Å
20L83.2Confident78.3Confident108 Ų10863.3 Ų63.357%0.56535%0.352SS*.Hα-helixtrans-76.3-27.5179.2-66.4174.3000113I16 Y18I16-L20 HydrophobicContact CG2-CD1 3.93Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.87Å; Y18-L20 VanDerWaalsContact C-N 3.33Å
21S82.7Confident78.9Confident32 Ų3260.4 Ų60.422%0.22434%0.34CS..  trans-134.298.4-179.4-178.60000110.9D17 Y18 E23 K24 L25D17-S21 PolarHBondContact O-N 3.14Å; Y18-S21 CarbonylContact O-C 3.59Å; Y18-S21 VanDerWaalsContact O-C 3.32Å; Y18-S21 PolarHBondContact O-N 3.3Å; S21-E23 PolarHBondContact O-N 3.39Å; S21-K24 WeakPolarHBondContact O-CB 3.5Å; S21-K24 PolarHBondContact O-N 3.04Å; S21-K24 VanDerWaalsContact O-N 3.08Å; S21-L25 PolarHBondContact O-N 3.31Å
22I82.8Confident79Confident47 Ų4757.1 Ų57.124%0.24132%0.319CS..Hα-helixtrans-59.9-32176-168.864.4000111.5K24 L25 S26 Y85 F225I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.87Å; I22-L25 HydrophobicContact CD1-CB 4.41Å; I22-L25 HydrophobicContact CD1-CD2 4.1Å; I22-L25 CarbonylContact O-C 3.05Å; I22-L25 WeakPolarHBondContact O-CA 3.25Å; I22-L25 WeakPolarHBondContact O-CB 3.28Å; I22-L25 PolarHBondContact O-N 3.42Å; I22-S26 PolarHBondContact O-N 2.6Å; I22-S26 PolarHBondContact O-OG 3.5Å; I22-Y85 HydrophobicContact CD1-CE1 4.36Å; I22-F225 HydrophobicContact CD1-CD1 4.22Å; I22-F225 HydrophobicContact CD1-CD2 3.77Å; I22-F225 HydrophobicContact CD1-CE1 4.14Å; I22-F225 HydrophobicContact CD1-CE2 3.67Å; I22-F225 HydrophobicContact CD1-CG 4.05Å; I22-F225 HydrophobicContact CD1-CZ 3.87Å; I22-F225 HydrophobicContact CG1-CB 4.38Å; I22-F225 HydrophobicContact CG1-CD2 3.72Å; I22-F225 HydrophobicContact CG1-CE2 4.12Å; I22-F225 HydrophobicContact CG1-CG 3.96Å
23E82.8Confident78.6Confident152 Ų15264 Ų6471%0.7134%0.341SS*.Hα-helixtrans-60.4-37.7176.4-63.8-179.417500112S21 L25 S26 S27S21-E23 PolarHBondContact O-N 3.39Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.1Å; E23-S26 PolarHBondContact O-N 2.98Å; E23-S27 VanDerWaalsContact O-CB 3.3Å; E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.25Å; E23-S27 PolarHBondContact O-OG 3.09Å
24K84Confident78.3Confident102 Ų10265.9 Ų65.944%0.44335%0.348SS..Hα-helixtrans-62.5-41.8172.7-72.2-177.9-174.5176.60111.1Y18 S21 I22 S27 L28Y18-K24 HydrophobicContact CD1-CB 4.02Å; Y18-K24 HydrophobicContact CE1-CB 4.31Å; S21-K24 WeakPolarHBondContact O-CB 3.5Å; S21-K24 PolarHBondContact O-N 3.04Å; S21-K24 VanDerWaalsContact O-N 3.08Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.87Å; K24-S27 PolarHBondContact O-N 3.47Å; K24-S27 PolarHBondContact O-OG 3.24Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 2.62Å
25L83.7Confident77.7Confident0 Ų069.1 Ų69.10%036%0.36CS..Hα-helixtrans-66.7-48177.1-175.963.8000111.1Y18 S21 I22 E23 S27 L28 L29 L41 F48 M82 Y85 V86Y18-L25 HydrophobicContact CD1-CB 4.13Å; Y18-L25 HydrophobicContact CD1-CD1 4.28Å; Y18-L25 HydrophobicContact CG-CD1 4.49Å; S21-L25 PolarHBondContact O-N 3.31Å; I22-L25 HydrophobicContact CD1-CB 4.41Å; I22-L25 HydrophobicContact CD1-CD2 4.1Å; I22-L25 CarbonylContact O-C 3.05Å; I22-L25 WeakPolarHBondContact O-CA 3.25Å; I22-L25 WeakPolarHBondContact O-CB 3.28Å; I22-L25 PolarHBondContact O-N 3.42Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.1Å; L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 3.14Å; L25-L28 WeakPolarHBondContact O-CB 3.42Å; L25-L28 PolarHBondContact O-N 3.12Å; L25-L29 HydrophobicContact CG-CD1 4.46Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-L41 HydrophobicContact CD1-CD2 4.3Å; L25-F48 HydrophobicContact CD2-CE2 4.18Å; L25-M82 HydrophobicContact CD2-CB 4.49Å; L25-M82 HydrophobicContact CD2-CE 3.76Å; L25-Y85 HydrophobicContact CD2-CD1 3.87Å; L25-Y85 HydrophobicContact CD2-CE1 4.34Å; L25-Y85 HydrophobicContact CG-CD1 4.38Å; L25-Y85 HydrophobicContact CG-CE1 4.48Å; L25-V86 HydrophobicContact CD1-CG2 4.39Å
26S83.4Confident76.9Confident35 Ų3573.8 Ų73.825%0.24539%0.387CS..Hα-helixtrans-58.4-40.3176.5-56.50000111.7I22 E23 L28 L29 V30 Y85I22-S26 PolarHBondContact O-N 2.6Å; I22-S26 PolarHBondContact O-OG 3.5Å; E23-S26 PolarHBondContact O-N 2.98Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.37Å; S26-L29 PolarHBondContact O-N 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.39Å; S26-V30 VanDerWaalsContact O-N 3.1Å; S26-Y85 PolarHBondContact OG-OH 3.23Å
27S82.2Confident76.2Confident67 Ų6771.2 Ų71.247%0.46937%0.374SS..Hα-helixtrans-63.9-38.4174.976.80000112.4E23 K24 L25 V30 T31E23-S27 VanDerWaalsContact O-CB 3.3Å; E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.25Å; E23-S27 PolarHBondContact O-OG 3.09Å; K24-S27 PolarHBondContact O-N 3.47Å; K24-S27 PolarHBondContact O-OG 3.24Å; L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 3.14Å; S27-V30 PolarHBondContact O-N 3.43Å; S27-T31 PolarHBondContact O-N 2.99Å; S27-T31 PolarHBondContact O-OG1 3.02Å
28L81Confident75.6Confident21 Ų2170.3 Ų70.311%0.1137%0.369CS..Hα-helixtrans-65.4-40.4176.9-169.571.8000111.3Y18 K24 L25 S26 T31 V37 L41Y18-L28 HydrophobicContact CE1-CB 4.33Å; Y18-L28 HydrophobicContact CE1-CD2 3.81Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 2.62Å; L25-L28 WeakPolarHBondContact O-CB 3.42Å; L25-L28 PolarHBondContact O-N 3.12Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.37Å; L28-T31 PolarHBondContact O-N 2.97Å; L28-V37 HydrophobicContact CD1-CG1 3.71Å; L28-V37 HydrophobicContact CG-CG1 3.95Å; L28-V37 WeakPolarHBondContact O-CG1 3.3Å; L28-L41 HydrophobicContact CD2-CD2 3.58Å; L28-L41 HydrophobicContact CD2-CG 3.79Å; L28-L41 HydrophobicContact CG-CD2 4Å; L28-L41 HydrophobicContact CG-CG 4.06Å
29L78.9Confident75.3Confident3 Ų375.4 Ų75.42%0.01639%0.392CS..Hα-helixtrans-63.5-43.3176.9-65.5173.3000111.8L25 S26 T31 S32 L41 Y85 V86 H89L25-L29 HydrophobicContact CG-CD1 4.46Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.4Å; S26-L29 PolarHBondContact O-N 3.31Å; L29-T31 VanDerWaalsContact C-N 3.27Å; L29-T31 PolarHBondContact O-N 2.92Å; L29-S32 VanDerWaalsContact O-CB 3.24Å; L29-S32 WeakPolarHBondContact O-CB 3.29Å; L29-S32 PolarHBondContact O-N 3.21Å; L29-S32 PolarHBondContact O-OG 3.43Å; L29-L41 HydrophobicContact CD2-CD1 4.14Å; L29-L41 HydrophobicContact CD2-CD2 3.46Å; L29-L41 VanDerWaalsContact CD2-CD2 3.46Å; L29-L41 HydrophobicContact CD2-CG 4.47Å; L29-L41 HydrophobicContact CG-CD2 4.29Å; L29-Y85 HydrophobicContact CD1-CD1 3.54Å; L29-Y85 HydrophobicContact CD1-CE1 3.24Å; L29-V86 HydrophobicContact CD2-CG1 4.34Å; L29-V86 HydrophobicContact CD2-CG2 4.3Å; L29-H89 HydrophobicContact CD1-CB 4.23Å; L29-H89 HydrophobicContact CD2-CB 3.78Å; L29-H89 HydrophobicContact CG-CB 4.45Å; L29-H89 PolarHBondContact O-CE1 3.12Å; L29-H89 PolarHBondContact O-NE2 3.33Å; L29-H89 VanDerWaalsContact O-NE2 3.11Å
30V73.8Confident75.1Confident127 Ų12776.3 Ų76.377%0.7740%0.4SS*.Hα-helixtrans-67.4-28.5178.9176.40000112.3S26 S27 S32S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.39Å; S26-V30 VanDerWaalsContact O-N 3.1Å; S27-V30 PolarHBondContact O-N 3.43Å; V30-S32 VanDerWaalsContact C-N 3.27Å; V30-S32 PolarHBondContact O-N 3.39Å
31T68.4Low75.1Confident89 Ų8971.1 Ų71.155%0.54637%0.373SS..THydrogen-bonded Turntrans-84.74.6-177.4-39.90000113S27 L28 L29 K33S27-T31 PolarHBondContact O-N 2.99Å; S27-T31 PolarHBondContact O-OG1 3.02Å; L28-T31 PolarHBondContact O-N 2.97Å; L29-T31 VanDerWaalsContact C-N 3.27Å; L29-T31 PolarHBondContact O-N 2.92Å; T31-K33 PolarHBondContact O-N 3.41Å
32S60.4Low75.1Confident36 Ų3671.9 Ų71.925%0.25237%0.374SS..THydrogen-bonded Turntrans-69.527-164.1800000117.4L29 V30 N34 H89L29-S32 VanDerWaalsContact O-CB 3.24Å; L29-S32 WeakPolarHBondContact O-CB 3.29Å; L29-S32 PolarHBondContact O-N 3.21Å; L29-S32 PolarHBondContact O-OG 3.43Å; V30-S32 VanDerWaalsContact C-N 3.27Å; V30-S32 PolarHBondContact O-N 3.39Å; S32-N34 VanDerWaalsContact C-N 3.33Å; S32-H89 PolarHBondContact OG-NE2 3.34Å
33K59.1Low75.2Confident215 Ų21574.2 Ų74.294%0.93538%0.38SS*.THydrogen-bonded Turntrans-86.80.8173.2-67.4-171.4178.5-178.20113.9T31T31-K33 PolarHBondContact O-N 3.41Å
34N61.8Low75.4Confident94 Ų9467 Ų6750%0.50335%0.346SS..SBendtrans-116.6132.9-174.5-155.1-12.9000111.2S32 L36 V37 D38S32-N34 VanDerWaalsContact C-N 3.33Å; N34-L36 PolarHBondContact O-N 3.12Å; N34-L36 VanDerWaalsContact O-N 3.15Å; N34-V37 HydrophobicContact CB-CG2 4.1Å; N34-V37 WeakPolarHBondContact O-CB 3.31Å; N34-V37 PolarHBondContact O-N 3.04Å; N34-D38 PolarHBondContact O-N 3.38Å
35E63.3Low75.5Confident135 Ų13562.1 Ų62.163%0.63133%0.325SS*.Hα-helixtrans-57.9-32.6-174.9-160.5-165.1141.200112.6D38 K39E35-D38 PolarHBondContact O-N 3.33Å; E35-K39 PolarHBondContact O-N 2.69Å; E35-K39 WeakPolarHBondContact OE1-CE 3.36Å; E35-K39 IonicContact OE1-NZ 3.27Å; E35-K39 PolarHBondContact OE1-NZ 3.28Å
36L65.7Low75.6Confident124 Ų12463.1 Ų63.165%0.64933%0.333SS*.Hα-helixtrans-66-34.8175.2-73.5160.4000113N34 S40N34-L36 PolarHBondContact O-N 3.12Å; N34-L36 VanDerWaalsContact O-N 3.15Å; L36-S40 PolarHBondContact O-N 3.28Å; L36-S40 VanDerWaalsContact O-N 3.13Å; L36-S40 PolarHBondContact O-OG 3.46Å
37V69.4Low75.8Confident21 Ų2163.3 Ų63.313%0.12733%0.331CS..Hα-helixtrans-72.3-40.7177.4174.30000109.8L28 N34 S40 L41L28-V37 HydrophobicContact CD1-CG1 3.71Å; L28-V37 HydrophobicContact CG-CG1 3.95Å; L28-V37 WeakPolarHBondContact O-CG1 3.3Å; N34-V37 HydrophobicContact CB-CG2 4.1Å; N34-V37 WeakPolarHBondContact O-CB 3.31Å; N34-V37 PolarHBondContact O-N 3.04Å; V37-S40 WeakPolarHBondContact O-CB 3.47Å; V37-S40 PolarHBondContact O-N 3.42Å; V37-L41 HydrophobicContact CG1-CD1 4.11Å; V37-L41 WeakPolarHBondContact O-CG 3.14Å; V37-L41 PolarHBondContact O-N 3.03Å
38D72.5Confident76.1Confident39 Ų3960.1 Ų60.121%0.20931%0.308CS..Hα-helixtrans-63.2-44.2176.6-135.319.9000110.6N34 E35 S40 L41 I42 K96N34-D38 PolarHBondContact O-N 3.38Å; E35-D38 PolarHBondContact O-N 3.33Å; D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 PolarHBondContact O-N 3.06Å; D38-L41 PolarHBondContact O-N 3.36Å; D38-I42 WeakPolarHBondContact O-CG1 3.49Å; D38-I42 PolarHBondContact O-N 2.71Å; D38-K96 VanDerWaalsContact CG-NZ 3.31Å; D38-K96 WeakPolarHBondContact OD1-CE 3.44Å; D38-K96 IonicContact OD1-NZ 3.14Å; D38-K96 PolarHBondContact OD1-NZ 3.15Å; D38-K96 WeakPolarHBondContact OD2-CE 3.44Å; D38-K96 IonicContact OD2-NZ 2.93Å; D38-K96 PolarHBondContact OD2-NZ 3.25Å
39K78.3Confident76.5Confident121 Ų12159.2 Ų59.253%0.52630%0.303SS..Hα-helixtrans-58.6-38.5172.9-74.6176.7-174.1160.40113.1E35 R43E35-K39 PolarHBondContact O-N 2.69Å; E35-K39 WeakPolarHBondContact OE1-CE 3.36Å; E35-K39 IonicContact OE1-NZ 3.27Å; E35-K39 PolarHBondContact OE1-NZ 3.28Å; K39-R43 PolarHBondContact O-N 3.29Å; K39-R43 VanDerWaalsContact O-N 3.11Å
40S79.3Confident76.9Confident34 Ų3464.4 Ų64.424%0.23833%0.328CS..Hα-helixtrans-68.6-43.3177.6-57.50000111.5L36 V37 D38 I42 R43 V44L36-S40 PolarHBondContact O-N 3.28Å; L36-S40 VanDerWaalsContact O-N 3.13Å; L36-S40 PolarHBondContact O-OG 3.46Å; V37-S40 WeakPolarHBondContact O-CB 3.47Å; V37-S40 PolarHBondContact O-N 3.42Å; D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 PolarHBondContact O-N 3.06Å; S40-I42 PolarHBondContact O-N 3.39Å; S40-R43 PolarHBondContact O-N 3.17Å; S40-V44 WeakPolarHBondContact O-CB 3.41Å; S40-V44 WeakPolarHBondContact O-CG2 3.43Å; S40-V44 PolarHBondContact O-N 2.88Å
41L82.7Confident77.6Confident0 Ų060.9 Ų60.90%030%0.303CS..Hα-helixtrans-60.3-43.5174.8-78.4166.9000111.9L25 L28 L29 V37 D38 V44 T45 V86 W90L25-L41 HydrophobicContact CD1-CD2 4.3Å; L28-L41 HydrophobicContact CD2-CD2 3.58Å; L28-L41 HydrophobicContact CD2-CG 3.79Å; L28-L41 HydrophobicContact CG-CD2 4Å; L28-L41 HydrophobicContact CG-CG 4.06Å; L29-L41 HydrophobicContact CD2-CD1 4.14Å; L29-L41 HydrophobicContact CD2-CD2 3.46Å; L29-L41 VanDerWaalsContact CD2-CD2 3.46Å; L29-L41 HydrophobicContact CD2-CG 4.47Å; L29-L41 HydrophobicContact CG-CD2 4.29Å; V37-L41 HydrophobicContact CG1-CD1 4.11Å; V37-L41 WeakPolarHBondContact O-CG 3.14Å; V37-L41 PolarHBondContact O-N 3.03Å; D38-L41 PolarHBondContact O-N 3.36Å; L41-V44 PolarHBondContact O-N 3.13Å; L41-T45 VanDerWaalsContact O-CB 3.29Å; L41-T45 WeakPolarHBondContact O-CB 3.3Å; L41-T45 PolarHBondContact O-N 3.2Å; L41-T45 PolarHBondContact O-OG1 3.17Å; L41-V86 HydrophobicContact CD2-CG1 4.47Å; L41-W90 HydrophobicContact CB-CZ2 4.33Å
42I84.3Confident78.6Confident47 Ų4756.6 Ų56.624%0.24128%0.277CS..Hα-helixtrans-59.1-51.6177-67.2169.9000110.6D38 S40 V44 T45 A46 W90 S100D38-I42 WeakPolarHBondContact O-CG1 3.49Å; D38-I42 PolarHBondContact O-N 2.71Å; S40-I42 PolarHBondContact O-N 3.39Å; I42-V44 PolarHBondContact O-N 3.23Å; I42-T45 PolarHBondContact O-N 3.19Å; I42-A46 WeakPolarHBondContact O-CB 3.08Å; I42-A46 PolarHBondContact O-N 2.98Å; I42-W90 HydrophobicContact CG1-CH2 4.19Å; I42-W90 HydrophobicContact CG1-CZ2 4.17Å; I42-S100 WeakPolarHBondContact CG2-O 3.26Å
43R84.1Confident79.9Confident96 Ų9658.1 Ų58.136%0.36228%0.28SS..Hα-helixtrans-57.5-51.6178.9-177.1-177.973.4-1703.2111.5S12 P13 K39 S40 T45 A46 E47S12-R43 PolarHBondContact OG-NH1 3.34Å; S12-R43 PolarHBondContact OG-NH2 2.94Å; P13-R43 PolarHBondContact O-NH2 2.79Å; K39-R43 PolarHBondContact O-N 3.29Å; K39-R43 VanDerWaalsContact O-N 3.11Å; S40-R43 PolarHBondContact O-N 3.17Å; R43-T45 VanDerWaalsContact C-N 3.32Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-A46 PolarHBondContact O-N 3.42Å; R43-E47 WeakPolarHBondContact CG-OE1 3.33Å; R43-E47 IonicContact NE-OE1 2.79Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.5Å
44V86.2Confident81.2Confident0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-64.4-38.1-176.3170.20000111.5W15 Y18 S40 L41 I42 E47 F48W15-V44 HydrophobicContact CB-CG1 4.42Å; Y18-V44 HydrophobicContact CD2-CB 4.36Å; Y18-V44 HydrophobicContact CD2-CG1 3.69Å; Y18-V44 HydrophobicContact CD2-CG2 3.69Å; Y18-V44 HydrophobicContact CE2-CG1 4.29Å; Y18-V44 HydrophobicContact CE2-CG2 3.49Å; Y18-V44 VanDerWaalsContact CE2-CG2 3.49Å; Y18-V44 HydrophobicContact CG-CG1 4.21Å; S40-V44 WeakPolarHBondContact O-CB 3.41Å; S40-V44 WeakPolarHBondContact O-CG2 3.43Å; S40-V44 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 3.13Å; I42-V44 PolarHBondContact O-N 3.23Å; V44-E47 PolarHBondContact O-N 3.5Å; V44-F48 HydrophobicContact CG1-CD2 4.13Å; V44-F48 HydrophobicContact CG1-CE1 3.92Å; V44-F48 HydrophobicContact CG1-CE2 3.41Å; V44-F48 VanDerWaalsContact CG1-CE2 3.41Å; V44-F48 HydrophobicContact CG1-CZ 3.27Å; V44-F48 WeakPolarHBondContact O-CD2 3.39Å; V44-F48 VanDerWaalsContact O-CG 3.25Å; V44-F48 WeakPolarHBondContact O-CG 3.49Å; V44-F48 PolarHBondContact O-N 3.44Å
45T86.5Confident82.4Confident0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-69.5-39.3178-53.20000112L41 I42 R43 F48 C49 V86 L101 L109L41-T45 VanDerWaalsContact O-CB 3.29Å; L41-T45 WeakPolarHBondContact O-CB 3.3Å; L41-T45 PolarHBondContact O-N 3.2Å; L41-T45 PolarHBondContact O-OG1 3.17Å; I42-T45 PolarHBondContact O-N 3.19Å; R43-T45 VanDerWaalsContact C-N 3.32Å; R43-T45 PolarHBondContact O-N 2.99Å; T45-F48 PolarHBondContact O-N 3.32Å; T45-C49 PolarHBondContact O-N 3.28Å; T45-C49 PolarHBondContact O-SG 3.08Å; T45-V86 HydrophobicContact CG2-CB 4.24Å; T45-V86 HydrophobicContact CG2-CG1 4.45Å; T45-V86 WeakPolarHBondContact OG1-CG1 3.49Å; T45-L101 HydrophobicContact CG2-CD1 3.77Å; T45-L101 HydrophobicContact CG2-CD2 3.54Å; T45-L101 HydrophobicContact CG2-CG 4.32Å; T45-L109 HydrophobicContact CG2-CD1 4.37Å
46A86.1Confident83.6Confident21 Ų2143.1 Ų43.117%0.17421%0.212CC..Hα-helixtrans-62.7-44.1172.600000111.1I42 R43 F48 C49 E50I42-A46 WeakPolarHBondContact O-CB 3.08Å; I42-A46 PolarHBondContact O-N 2.98Å; R43-A46 PolarHBondContact O-N 3.42Å; A46-F48 PolarHBondContact O-N 3.36Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 3.35Å; A46-C49 VanDerWaalsContact O-N 3.14Å; A46-E50 WeakPolarHBondContact O-CG 3.46Å; A46-E50 PolarHBondContact O-N 2.99Å
47E87.3Confident84.5Confident40 Ų4040 Ų4019%0.18720%0.201CC..Hα-helixtrans-60-42.1174.6-72.6168.7-179.300111.6N14 W15 R43 V44 C49 E50 Q51N14-E47 PolarHBondContact OD1-OE2 3.11Å; W15-E47 HydrophobicContact CB-CB 3.8Å; W15-E47 VanDerWaalsContact CB-OE2 3.29Å; W15-E47 WeakPolarHBondContact CB-OE2 3.31Å; W15-E47 HydrophobicContact CG-CB 3.94Å; W15-E47 PolarHBondContact N-OE2 3.21Å; R43-E47 WeakPolarHBondContact CG-OE1 3.33Å; R43-E47 IonicContact NE-OE1 2.79Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.5Å; V44-E47 PolarHBondContact O-N 3.5Å; E47-C49 VanDerWaalsContact C-N 3.34Å; E47-C49 PolarHBondContact O-N 2.79Å; E47-E50 PolarHBondContact O-N 3.11Å; E47-Q51 WeakPolarHBondContact O-CB 3.25Å; E47-Q51 VanDerWaalsContact O-CG 3.25Å; E47-Q51 WeakPolarHBondContact O-CG 3.35Å; E47-Q51 PolarHBondContact O-N 3.17Å
48F89.6Confident85.1Confident0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-59.1-43173.3-64.9-31.7000112.6W15 L25 V44 T45 A46 A52 L79 M82W15-F48 HydrophobicContact CB-CD1 4.05Å; W15-F48 HydrophobicContact CB-CE1 3.8Å; W15-F48 HydrophobicContact CE3-CD1 4.39Å; W15-F48 HydrophobicContact CE3-CE1 4.41Å; L25-F48 HydrophobicContact CD2-CE2 4.18Å; V44-F48 HydrophobicContact CG1-CD2 4.13Å; V44-F48 HydrophobicContact CG1-CE1 3.92Å; V44-F48 HydrophobicContact CG1-CE2 3.41Å; V44-F48 VanDerWaalsContact CG1-CE2 3.41Å; V44-F48 HydrophobicContact CG1-CZ 3.27Å; V44-F48 WeakPolarHBondContact O-CD2 3.39Å; V44-F48 VanDerWaalsContact O-CG 3.25Å; V44-F48 WeakPolarHBondContact O-CG 3.49Å; V44-F48 PolarHBondContact O-N 3.44Å; T45-F48 PolarHBondContact O-N 3.32Å; A46-F48 PolarHBondContact O-N 3.36Å; F48-A52 WeakPolarHBondContact O-CB 3.16Å; F48-A52 PolarHBondContact O-N 3.2Å; F48-L79 HydrophobicContact CD1-CD2 3.83Å; F48-M82 HydrophobicContact CD2-CB 3.88Å; F48-M82 HydrophobicContact CE1-CE 3.78Å; F48-M82 HydrophobicContact CE1-SD 4.25Å; F48-M82 HydrophobicContact CE2-CB 3.85Å; F48-M82 HydrophobicContact CE2-CE 3.87Å; F48-M82 HydrophobicContact CG-CB 4.37Å; F48-M82 HydrophobicContact CZ-CB 4.32Å; F48-M82 HydrophobicContact CZ-CE 3.28Å; F48-M82 HydrophobicContact CZ-SD 4.21Å
49C87.8Confident85.7Confident1 Ų145.5 Ų45.51%0.00722%0.218CC..Hα-helixtrans-63.4-47.9177.5-65.50000111.6T45 A46 E47 A52 Q53 N105 Y108T45-C49 PolarHBondContact O-N 3.28Å; T45-C49 PolarHBondContact O-SG 3.08Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 3.35Å; A46-C49 VanDerWaalsContact O-N 3.14Å; E47-C49 VanDerWaalsContact C-N 3.34Å; E47-C49 PolarHBondContact O-N 2.79Å; C49-A52 PolarHBondContact O-N 3.38Å; C49-Q53 WeakPolarHBondContact O-CB 3.38Å; C49-Q53 VanDerWaalsContact O-CG 3.28Å; C49-Q53 WeakPolarHBondContact O-CG 3.43Å; C49-Q53 PolarHBondContact O-N 2.71Å; C49-N105 HydrophobicContact CB-CB 4.19Å; C49-N105 WeakPolarHBondContact CB-OD1 3.43Å; C49-Y108 HydrophobicContact CB-CD1 4.43Å
50E87.3Confident85.8Confident112 Ų11249.7 Ų49.752%0.52323%0.231SC..Hα-helixtrans-61.2-46.8179.7-73.3179.4-177.400111.8A46 E47 Q53 L54A46-E50 WeakPolarHBondContact O-CG 3.46Å; A46-E50 PolarHBondContact O-N 2.99Å; E47-E50 PolarHBondContact O-N 3.11Å; E50-Q53 PolarHBondContact O-N 3.06Å; E50-L54 WeakPolarHBondContact O-CB 3.25Å; E50-L54 PolarHBondContact O-N 3.26Å
51Q89.4Confident86.1Confident53 Ų5353.5 Ų53.525%0.24825%0.252CS..Hα-helixtrans-66.8-39.2178.6-64.2-54.5-46.300111.7W15 E47 L54 L55 L79W15-Q51 HydrophobicContact CD2-CG 4.23Å; W15-Q51 HydrophobicContact CH2-CG 4.01Å; W15-Q51 HydrophobicContact CZ2-CG 3.66Å; W15-Q51 HydrophobicContact CZ3-CG 4.44Å; E47-Q51 WeakPolarHBondContact O-CB 3.25Å; E47-Q51 VanDerWaalsContact O-CG 3.25Å; E47-Q51 WeakPolarHBondContact O-CG 3.35Å; E47-Q51 PolarHBondContact O-N 3.17Å; Q51-L54 PolarHBondContact O-N 3.12Å; Q51-L55 WeakPolarHBondContact O-CG 3.42Å; Q51-L55 PolarHBondContact O-N 3.09Å; Q51-L79 HydrophobicContact CB-CD1 3.9Å
52A88.6Confident85.9Confident0 Ų056.2 Ų56.20%026%0.264CS..Hα-helixtrans-63.7-45.9176.100000111.6F48 C49 L54 L55 E56 L79 K80 Y108F48-A52 WeakPolarHBondContact O-CB 3.16Å; F48-A52 PolarHBondContact O-N 3.2Å; C49-A52 PolarHBondContact O-N 3.38Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.19Å; A52-L55 PolarHBondContact O-N 3.19Å; A52-E56 WeakPolarHBondContact O-CG 3.42Å; A52-E56 PolarHBondContact O-N 2.71Å; A52-L79 HydrophobicContact CB-CB 3.89Å; A52-K80 HydrophobicContact CB-CG 4.12Å; A52-Y108 HydrophobicContact CB-CE1 4.21Å; A52-Y108 WeakPolarHBondContact CB-OH 3.45Å
53Q87.7Confident85.5Confident68 Ų6863.1 Ų63.132%0.31830%0.295SS..Hα-helixtrans-63.9-39.2177.3-72.1174.235.300111.9C49 E50 E56 S57 N105 Y108C49-Q53 WeakPolarHBondContact O-CB 3.38Å; C49-Q53 VanDerWaalsContact O-CG 3.28Å; C49-Q53 WeakPolarHBondContact O-CG 3.43Å; C49-Q53 PolarHBondContact O-N 2.71Å; E50-Q53 PolarHBondContact O-N 3.06Å; Q53-E56 PolarHBondContact O-N 2.93Å; Q53-S57 PolarHBondContact O-N 2.8Å; Q53-N105 PolarHBondContact NE2-OD1 3.17Å; Q53-Y108 HydrophobicContact CG-CD1 4.34Å; Q53-Y108 HydrophobicContact CG-CD2 3.77Å; Q53-Y108 HydrophobicContact CG-CE1 4.14Å; Q53-Y108 HydrophobicContact CG-CE2 3.53Å; Q53-Y108 HydrophobicContact CG-CG 4.17Å
54L88Confident85.2Confident85 Ų8560.2 Ų60.245%0.44530%0.296SS..Hα-helixtrans-60.7-47.7174.1-179.467.2000111E50 Q51 A52 S57 R58E50-L54 WeakPolarHBondContact O-CB 3.25Å; E50-L54 PolarHBondContact O-N 3.26Å; Q51-L54 PolarHBondContact O-N 3.12Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.19Å; L54-S57 PolarHBondContact O-N 3.23Å; L54-S57 PolarHBondContact O-OG 3.34Å; L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 2.92Å
55L87.3Confident85Confident14 Ų1464 Ų647%0.07332%0.319CS..Hα-helixtrans-66.1-38.9177.9-67.8176.7000112.3Q51 A52 S57 R58 L59 V72 R75 T76 L79Q51-L55 WeakPolarHBondContact O-CG 3.42Å; Q51-L55 PolarHBondContact O-N 3.09Å; A52-L55 PolarHBondContact O-N 3.19Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.42Å; L55-R58 PolarHBondContact O-N 3.18Å; L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 3.48Å; L55-V72 HydrophobicContact CB-CG1 4.39Å; L55-V72 HydrophobicContact CD2-CG1 4.29Å; L55-R75 HydrophobicContact CD1-CB 4.5Å; L55-R75 HydrophobicContact CD1-CG 3.73Å; L55-T76 HydrophobicContact CB-CG2 4.41Å; L55-T76 VanDerWaalsContact CB-OG1 3.23Å; L55-T76 WeakPolarHBondContact CB-OG1 3.39Å; L55-L79 HydrophobicContact CD1-CD1 3.71Å
56E87.1Confident84.9Confident29 Ų2970.7 Ų70.714%0.13636%0.355CS..Hα-helixtrans-59.1-42.9172.3-75.8-162.915200111.9A52 Q53 R58 L59 R60 T76 K80 K112A52-E56 WeakPolarHBondContact O-CG 3.42Å; A52-E56 PolarHBondContact O-N 2.71Å; Q53-E56 PolarHBondContact O-N 2.93Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.39Å; E56-L59 PolarHBondContact O-N 3.42Å; E56-R60 WeakPolarHBondContact O-CG 3.49Å; E56-R60 PolarHBondContact O-N 2.88Å; E56-T76 HydrophobicContact CG-CG2 3.62Å; E56-K80 WeakPolarHBondContact OE1-CE 3.42Å; E56-K80 IonicContact OE1-NZ 2.79Å; E56-K80 PolarHBondContact OE1-NZ 3.43Å; E56-K112 VanDerWaalsContact CD-NZ 3.33Å; E56-K112 VanDerWaalsContact OE1-CE 3.23Å; E56-K112 WeakPolarHBondContact OE1-CE 3.49Å; E56-K112 IonicContact OE1-NZ 3.51Å; E56-K112 PolarHBondContact OE1-NZ 3.09Å; E56-K112 IonicContact OE2-NZ 2.71Å; E56-K112 PolarHBondContact OE2-NZ 2.91Å; E56-K112 VanDerWaalsContact OE2-NZ 3.07Å
57S84.3Confident84.7Confident59 Ų5977.4 Ų77.441%0.41338%0.383SS..Hα-helixtrans-63.5-37.3177.476.80000111.8Q53 L54 L55 R60Q53-S57 PolarHBondContact O-N 2.8Å; L54-S57 PolarHBondContact O-N 3.23Å; L54-S57 PolarHBondContact O-OG 3.34Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.42Å; S57-R60 PolarHBondContact O-N 3.47Å
58R83.1Confident84.4Confident154 Ų15480.4 Ų80.458%0.58140%0.396SS*.Hα-helixtrans-68.7-40.2174.9-69.8179.571.1177.81.8111.8L54 L55 E56 R60 V61 F62L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 2.92Å; L55-R58 PolarHBondContact O-N 3.18Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.39Å; R58-R60 VanDerWaalsContact C-N 3.26Å; R58-R60 PolarHBondContact O-N 3.49Å; R58-V61 CarbonylContact O-C 3.39Å; R58-V61 PolarHBondContact O-N 3.04Å; R58-V61 VanDerWaalsContact O-N 3.13Å; R58-F62 WeakPolarHBondContact O-CA 3.43Å; R58-F62 WeakPolarHBondContact O-CB 3.42Å; R58-F62 PolarHBondContact O-N 3.38Å
59L84.5Confident84.1Confident22 Ų2285.6 Ų85.612%0.11542%0.416CS..Hα-helixtrans-59-35.7176.6-79.9170.2000112.4L55 E56 V61 F62 R69 V72 E73L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 3.48Å; E56-L59 PolarHBondContact O-N 3.42Å; L59-V61 VanDerWaalsContact C-N 3.25Å; L59-V61 PolarHBondContact O-N 3.33Å; L59-F62 WeakPolarHBondContact O-CB 3.5Å; L59-F62 PolarHBondContact O-N 3.13Å; L59-R69 HydrophobicContact CD2-CG 4.09Å; L59-V72 HydrophobicContact CD1-CG1 4Å; L59-V72 HydrophobicContact CD2-CB 3.81Å; L59-V72 HydrophobicContact CD2-CG1 3.59Å; L59-V72 HydrophobicContact CG-CB 4.37Å; L59-V72 HydrophobicContact CG-CG1 3.6Å; L59-E73 HydrophobicContact CD1-CG 3.87Å; L59-E73 HydrophobicContact CD2-CG 3.89Å
60R81.5Confident84Confident209 Ų20988 Ų8879%0.78943%0.432SS*.Hα-helixtrans-65.7-26177.4-69177.9-170.3-171.92.9113.9E56 S57 R58E56-R60 WeakPolarHBondContact O-CG 3.49Å; E56-R60 PolarHBondContact O-N 2.88Å; S57-R60 PolarHBondContact O-N 3.47Å; R58-R60 VanDerWaalsContact C-N 3.26Å; R58-R60 PolarHBondContact O-N 3.49Å
61V83.9Confident83.8Confident113 Ų11387.1 Ų87.169%0.68543%0.427SS*.THydrogen-bonded Turntrans-114.514.2-178.5-154.70000110.8R58 L59 Q63R58-V61 CarbonylContact O-C 3.39Å; R58-V61 PolarHBondContact O-N 3.04Å; R58-V61 VanDerWaalsContact O-N 3.13Å; L59-V61 VanDerWaalsContact C-N 3.25Å; L59-V61 PolarHBondContact O-N 3.33Å; V61-Q63 PolarHBondContact O-N 3.36Å
62F78.7Confident83.6Confident57 Ų5785.7 Ų85.725%0.2542%0.422CS..  trans-72.7130.1-170.9-165.7-103.7000111.4R58 L59 G64 E68 R69R58-F62 WeakPolarHBondContact O-CA 3.43Å; R58-F62 WeakPolarHBondContact O-CB 3.42Å; R58-F62 PolarHBondContact O-N 3.38Å; L59-F62 WeakPolarHBondContact O-CB 3.5Å; L59-F62 PolarHBondContact O-N 3.13Å; F62-G64 VanDerWaalsContact CE1-N 3.32Å; F62-E68 HydrophobicContact CE1-CB 3.94Å; F62-E68 HydrophobicContact CZ-CB 3.64Å; F62-R69 HydrophobicContact CD1-CB 3.93Å; F62-R69 HydrophobicContact CD1-CG 4.3Å; F62-R69 HydrophobicContact CE1-CB 3.9Å
63Q76Confident83.4Confident192 Ų19290 Ų9090%0.89744%0.443SS*.  trans-123.333.5-179.7-64.7-176.8-9.900111.9V61V61-Q63 PolarHBondContact O-N 3.36Å
64G78.4Confident83.4Confident36 Ų3691 Ų9137%0.37144%0.443SS..SBendtrans-101-172.4177.900000113.7F62 E68F62-G64 VanDerWaalsContact CE1-N 3.32Å; G64-E68 WeakPolarHBondContact CA-OE2 3.48Å
65T82.9Confident83.3Confident80 Ų8091.1 Ų91.149%0.49144%0.438SS..  trans-71159.8177.966.10000111.7E67 E68 R69T65-E67 PolarHBondContact O-N 3.37Å; T65-E68 PolarHBondContact N-OE2 3.38Å; T65-E68 VanDerWaalsContact N-OE2 3.07Å; T65-E68 PolarHBondContact O-N 3.31Å; T65-E68 VanDerWaalsContact O-N 3.16Å; T65-E68 WeakPolarHBondContact OG1-CG 3.43Å; T65-E68 PolarHBondContact OG1-N 2.6Å; T65-R69 PolarHBondContact O-N 3.28Å
66D83Confident83.3Confident140 Ų14090.5 Ų90.575%0.74943%0.434SS*.Hα-helixtrans-59.2-32.7176.8-70.8-28.3000112.2R69 S70D66-R69 PolarHBondContact O-N 3.4Å; D66-S70 VanDerWaalsContact O-CB 3.32Å; D66-S70 WeakPolarHBondContact O-CB 3.41Å; D66-S70 PolarHBondContact O-N 3.22Å
67E82.6Confident83.4Confident162 Ų16290.4 Ų90.476%0.75744%0.442SS*.Hα-helixtrans-66.5-45.5174.8-66.9-177.3177.100112.1T65 R69 S70 F71T65-E67 PolarHBondContact O-N 3.37Å; E67-R69 VanDerWaalsContact C-N 3.32Å; E67-R69 PolarHBondContact O-N 3.11Å; E67-S70 PolarHBondContact O-N 2.97Å; E67-F71 WeakPolarHBondContact O-CB 3.32Å; E67-F71 PolarHBondContact O-N 3.47Å
68E80.8Confident83.6Confident102 Ų10288.2 Ų88.248%0.47743%0.425SS..Hα-helixtrans-64.4-40.2176.4-69174154.500111F62 G64 T65 F71 V72F62-E68 HydrophobicContact CE1-CB 3.94Å; F62-E68 HydrophobicContact CZ-CB 3.64Å; G64-E68 WeakPolarHBondContact CA-OE2 3.48Å; T65-E68 PolarHBondContact N-OE2 3.38Å; T65-E68 VanDerWaalsContact N-OE2 3.07Å; T65-E68 PolarHBondContact O-N 3.31Å; T65-E68 VanDerWaalsContact O-N 3.16Å; T65-E68 WeakPolarHBondContact OG1-CG 3.43Å; T65-E68 PolarHBondContact OG1-N 2.6Å; E68-F71 PolarHBondContact O-N 2.66Å; E68-V72 WeakPolarHBondContact O-CG2 3.2Å; E68-V72 PolarHBondContact O-N 2.91Å
69R84.3Confident83.9Confident110 Ų11081 Ų8142%0.41540%0.397SS..Hα-helixtrans-61.2-49.3175.5-175.3179.3-178.5141.63.3111L59 F62 T65 D66 E67 F71 V72 E73L59-R69 HydrophobicContact CD2-CG 4.09Å; F62-R69 HydrophobicContact CD1-CB 3.93Å; F62-R69 HydrophobicContact CD1-CG 4.3Å; F62-R69 HydrophobicContact CE1-CB 3.9Å; T65-R69 PolarHBondContact O-N 3.28Å; D66-R69 PolarHBondContact O-N 3.4Å; E67-R69 VanDerWaalsContact C-N 3.32Å; E67-R69 PolarHBondContact O-N 3.11Å; R69-F71 VanDerWaalsContact C-N 3.29Å; R69-F71 PolarHBondContact O-N 3.32Å; R69-V72 PolarHBondContact O-N 3.17Å; R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 WeakPolarHBondContact CG-OE1 3.42Å; R69-E73 IonicContact NE-OE1 2.61Å; R69-E73 PolarHBondContact NE-OE1 2.89Å; R69-E73 WeakPolarHBondContact O-CB 3.47Å; R69-E73 WeakPolarHBondContact O-CG 3.4Å; R69-E73 PolarHBondContact O-N 3.34Å
70S84.7Confident84.2Confident50 Ų5082 Ų8235%0.3540%0.401SS..Hα-helixtrans-59.3-39.3177.3179.30000112.2D66 E67 E73 R74D66-S70 VanDerWaalsContact O-CB 3.32Å; D66-S70 WeakPolarHBondContact O-CB 3.41Å; D66-S70 PolarHBondContact O-N 3.22Å; E67-S70 PolarHBondContact O-N 2.97Å; S70-E73 PolarHBondContact O-N 2.98Å; S70-R74 WeakPolarHBondContact O-CG 3.3Å; S70-R74 PolarHBondContact O-N 3.22Å
71F83.6Confident84.6Confident94 Ų9472.1 Ų72.141%0.41236%0.364SS..Hα-helixtrans-62.9-47.9174.2177.3-100.5000112.2E67 E68 R69 E73 R74 R75 D231E67-F71 WeakPolarHBondContact O-CB 3.32Å; E67-F71 PolarHBondContact O-N 3.47Å; E68-F71 PolarHBondContact O-N 2.66Å; R69-F71 VanDerWaalsContact C-N 3.29Å; R69-F71 PolarHBondContact O-N 3.32Å; F71-E73 VanDerWaalsContact C-N 3.3Å; F71-E73 PolarHBondContact O-N 2.86Å; F71-R74 PolarHBondContact O-N 3.04Å; F71-R75 PolarHBondContact O-N 2.92Å; F71-D231 WeakPolarHBondContact CE2-OD2 3.41Å
72V84.5Confident85Confident24 Ų2466.7 Ų66.715%0.14533%0.331CS..Hα-helixtrans-64.5-36.8177.4178.70000111L55 L59 E68 R69 T76L55-V72 HydrophobicContact CB-CG1 4.39Å; L55-V72 HydrophobicContact CD2-CG1 4.29Å; L59-V72 HydrophobicContact CD1-CG1 4Å; L59-V72 HydrophobicContact CD2-CB 3.81Å; L59-V72 HydrophobicContact CD2-CG1 3.59Å; L59-V72 HydrophobicContact CG-CB 4.37Å; L59-V72 HydrophobicContact CG-CG1 3.6Å; E68-V72 WeakPolarHBondContact O-CG2 3.2Å; E68-V72 PolarHBondContact O-N 2.91Å; R69-V72 PolarHBondContact O-N 3.17Å; V72-T76 VanDerWaalsContact O-CB 3.25Å; V72-T76 WeakPolarHBondContact O-CB 3.27Å; V72-T76 PolarHBondContact O-N 3.48Å; V72-T76 PolarHBondContact O-OG1 3.42Å
73E85.8Confident85.5Confident91 Ų9164 Ų6443%0.42532%0.319SS..Hα-helixtrans-62.7-46174.6-76.1172.3179.500112L59 R69 S70 F71 T76 G77L59-E73 HydrophobicContact CD1-CG 3.87Å; L59-E73 HydrophobicContact CD2-CG 3.89Å; R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 WeakPolarHBondContact CG-OE1 3.42Å; R69-E73 IonicContact NE-OE1 2.61Å; R69-E73 PolarHBondContact NE-OE1 2.89Å; R69-E73 WeakPolarHBondContact O-CB 3.47Å; R69-E73 WeakPolarHBondContact O-CG 3.4Å; R69-E73 PolarHBondContact O-N 3.34Å; S70-E73 PolarHBondContact O-N 2.98Å; F71-E73 VanDerWaalsContact C-N 3.3Å; F71-E73 PolarHBondContact O-N 2.86Å; E73-T76 PolarHBondContact O-N 3.07Å; E73-G77 PolarHBondContact O-N 3.38Å
74R85.7Confident86.2Confident88 Ų8855 Ų5533%0.33228%0.277SS..Hα-helixtrans-60.3-49.4175.1-76.5-172.3-76.2174.6-1.5111.9S70 F71 T76 G77 K78 D229 D231S70-R74 WeakPolarHBondContact O-CG 3.3Å; S70-R74 PolarHBondContact O-N 3.22Å; F71-R74 PolarHBondContact O-N 3.04Å; R74-T76 VanDerWaalsContact C-N 3.32Å; R74-T76 PolarHBondContact O-N 3.41Å; R74-G77 WeakPolarHBondContact O-CA 3.48Å; R74-G77 PolarHBondContact O-N 3.15Å; R74-G77 VanDerWaalsContact O-N 3.07Å; R74-K78 PolarHBondContact O-N 3.09Å; R74-D229 IonicContact NH1-OD1 3.31Å; R74-D229 PolarHBondContact NH1-OD1 3Å; R74-D229 IonicContact NH1-OD2 3.77Å; R74-D229 PolarHBondContact NH1-OD2 2.94Å; R74-D231 HydrophobicContact CB-CB 3.81Å
75R87Confident86.8Confident87 Ų8754.3 Ų54.333%0.32826%0.264SS..Hα-helixtrans-58-43.3176.2177.4167.8-170.1-174.44.4112.8Y19 L55 F71 G77 K78 L79Y19-R75 HydrophobicContact CE2-CG 4.49Å; Y19-R75 WeakPolarHBondContact OH-CG 3.36Å; L55-R75 HydrophobicContact CD1-CB 4.5Å; L55-R75 HydrophobicContact CD1-CG 3.73Å; F71-R75 PolarHBondContact O-N 2.92Å; R75-G77 VanDerWaalsContact C-N 3.34Å; R75-K78 PolarHBondContact O-N 3.3Å; R75-L79 HydrophobicContact CG-CD1 4.47Å; R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 3.5Å; R75-L79 VanDerWaalsContact O-N 3.09Å
76T88.1Confident87.1Confident1 Ų150.5 Ų50.51%0.00624%0.24CC..Hα-helixtrans-63.9-41.8176.2-56.90000110.8L55 E56 V72 E73 R74 K80L55-T76 HydrophobicContact CB-CG2 4.41Å; L55-T76 VanDerWaalsContact CB-OG1 3.23Å; L55-T76 WeakPolarHBondContact CB-OG1 3.39Å; E56-T76 HydrophobicContact CG-CG2 3.62Å; V72-T76 VanDerWaalsContact O-CB 3.25Å; V72-T76 WeakPolarHBondContact O-CB 3.27Å; V72-T76 PolarHBondContact O-N 3.48Å; V72-T76 PolarHBondContact O-OG1 3.42Å; E73-T76 PolarHBondContact O-N 3.07Å; R74-T76 VanDerWaalsContact C-N 3.32Å; R74-T76 PolarHBondContact O-N 3.41Å; T76-K80 HydrophobicContact CG2-CD 4.37Å; T76-K80 WeakPolarHBondContact O-CD 3.49Å; T76-K80 VanDerWaalsContact O-CG 3.28Å; T76-K80 WeakPolarHBondContact O-CG 3.25Å; T76-K80 PolarHBondContact O-N 3.19Å; T76-K80 VanDerWaalsContact O-N 3.17Å
77G87.4Confident87.4Confident28 Ų2843.9 Ų43.929%0.28921%0.205SC..Hα-helixtrans-59.4-47.1174.600000112.7E73 R74 R75 K80 A81E73-G77 PolarHBondContact O-N 3.38Å; R74-G77 WeakPolarHBondContact O-CA 3.48Å; R74-G77 PolarHBondContact O-N 3.15Å; R74-G77 VanDerWaalsContact O-N 3.07Å; R75-G77 VanDerWaalsContact C-N 3.34Å; G77-K80 PolarHBondContact O-N 3.1Å; G77-A81 WeakPolarHBondContact O-CB 3.48Å; G77-A81 PolarHBondContact O-N 3.4Å
78K89.3Confident87.7Confident13 Ų1336.2 Ų36.26%0.05717%0.169CC..Hα-helixtrans-61-46.9177.2178.7167.1166.9-171.20112.7Y19 R74 R75 K80 A81 M82 E230 D231 V233Y19-K78 HydrophobicContact CD2-CD 4.4Å; Y19-K78 HydrophobicContact CD2-CG 4.34Å; Y19-K78 HydrophobicContact CE1-CD 4.41Å; Y19-K78 HydrophobicContact CE2-CB 4.1Å; Y19-K78 HydrophobicContact CE2-CD 3.71Å; Y19-K78 HydrophobicContact CE2-CG 3.7Å; Y19-K78 WeakPolarHBondContact O-CE 3.4Å; Y19-K78 PolarHBondContact O-NZ 3.37Å; R74-K78 PolarHBondContact O-N 3.09Å; R75-K78 PolarHBondContact O-N 3.3Å; K78-K80 VanDerWaalsContact C-N 3.31Å; K78-K80 PolarHBondContact O-N 3.44Å; K78-A81 PolarHBondContact O-N 2.83Å; K78-M82 HydrophobicContact CG-CG 4.38Å; K78-M82 HydrophobicContact CG-SD 4.09Å; K78-M82 VanDerWaalsContact O-CG 3.28Å; K78-M82 WeakPolarHBondContact O-CG 3.24Å; K78-M82 PolarHBondContact O-N 3.05Å; K78-E230 WeakPolarHBondContact CD-O 3.38Å; K78-E230 VanDerWaalsContact CE-O 3.27Å; K78-E230 WeakPolarHBondContact CE-O 3.3Å; K78-E230 PolarHBondContact NZ-O 3.31Å; K78-D231 IonicContact NZ-OD1 3.51Å; K78-V233 HydrophobicContact CB-CG2 4.03Å; K78-V233 HydrophobicContact CG-CG2 4.18Å
79L90.4Very high87.9Confident1 Ų133.3 Ų33.31%0.00516%0.155CC..Hα-helixtrans-59.3-41.5177.5-73.2166.3000112.4W15 Y19 F48 Q51 A52 L55 R75 M82 G83W15-L79 HydrophobicContact CE3-CD2 4.13Å; W15-L79 HydrophobicContact CZ3-CD2 3.95Å; Y19-L79 HydrophobicContact CD2-CD2 3.56Å; Y19-L79 HydrophobicContact CD2-CG 4.06Å; Y19-L79 HydrophobicContact CE2-CD2 3.87Å; Y19-L79 HydrophobicContact CE2-CG 3.82Å; F48-L79 HydrophobicContact CD1-CD2 3.83Å; Q51-L79 HydrophobicContact CB-CD1 3.9Å; A52-L79 HydrophobicContact CB-CB 3.89Å; L55-L79 HydrophobicContact CD1-CD1 3.71Å; R75-L79 HydrophobicContact CG-CD1 4.47Å; R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 3.5Å; R75-L79 VanDerWaalsContact O-N 3.09Å; L79-M82 PolarHBondContact O-N 3Å; L79-G83 PolarHBondContact O-N 3.23Å; L79-G83 VanDerWaalsContact O-N 3.12Å
80K90.7Very high87.9Confident44 Ų4428.5 Ų28.519%0.19114%0.138CC..Hα-helixtrans-62.2-48.8174.9-68.2161.7178.6169.50111.3A52 E56 T76 G77 K78 M82 G83 L84 Y108 K112A52-K80 HydrophobicContact CB-CG 4.12Å; E56-K80 WeakPolarHBondContact OE1-CE 3.42Å; E56-K80 IonicContact OE1-NZ 2.79Å; E56-K80 PolarHBondContact OE1-NZ 3.43Å; T76-K80 HydrophobicContact CG2-CD 4.37Å; T76-K80 WeakPolarHBondContact O-CD 3.49Å; T76-K80 VanDerWaalsContact O-CG 3.28Å; T76-K80 WeakPolarHBondContact O-CG 3.25Å; T76-K80 PolarHBondContact O-N 3.19Å; T76-K80 VanDerWaalsContact O-N 3.17Å; G77-K80 PolarHBondContact O-N 3.1Å; K78-K80 VanDerWaalsContact C-N 3.31Å; K78-K80 PolarHBondContact O-N 3.44Å; K80-M82 VanDerWaalsContact C-N 3.28Å; K80-M82 PolarHBondContact O-N 3.33Å; K80-G83 PolarHBondContact O-N 2.91Å; K80-G83 VanDerWaalsContact O-N 3.11Å; K80-L84 WeakPolarHBondContact O-CG 3.44Å; K80-L84 PolarHBondContact O-N 2.87Å; K80-Y108 VanDerWaalsContact CE-OH 3.25Å; K80-Y108 WeakPolarHBondContact CE-OH 3.39Å; K80-Y108 HydrophobicContact CG-CE1 4.41Å; K80-Y108 WeakPolarHBondContact CG-OH 3.31Å; K80-K112 HydrophobicContact CD-CD 4.48Å; K80-K112 HydrophobicContact CD-CG 4.17Å; K80-K112 HydrophobicContact CG-CG 4.27Å
81A89.8Confident87.9Confident1 Ų128.7 Ų28.71%0.00814%0.135CC..Hα-helixtrans-62.9-36.3-179.200000112G77 K78 L84 Y85 F223 F225 V233G77-A81 WeakPolarHBondContact O-CB 3.48Å; G77-A81 PolarHBondContact O-N 3.4Å; K78-A81 PolarHBondContact O-N 2.83Å; A81-L84 PolarHBondContact O-N 3.32Å; A81-Y85 VanDerWaalsContact O-CB 3.22Å; A81-Y85 WeakPolarHBondContact O-CB 3.1Å; A81-Y85 PolarHBondContact O-N 3.23Å; A81-F223 HydrophobicContact CB-CD1 4.42Å; A81-F225 HydrophobicContact CB-CE1 4.21Å; A81-F225 HydrophobicContact CB-CZ 4.32Å; A81-V233 HydrophobicContact CB-CB 4.06Å; A81-V233 HydrophobicContact CB-CG1 3.63Å; A81-V233 HydrophobicContact CB-CG2 4.08Å
82M90.5Very high88.1Confident0 Ų024.9 Ų24.90%012%0.117CC..Hα-helixtrans-64.2-39172.8-69.217878.700112.4Y18 Y19 L25 F48 K78 L79 K80 Y85 V86 F225Y18-M82 WeakPolarHBondContact O-CE 3.46Å; Y19-M82 HydrophobicContact CD2-SD 3.8Å; Y19-M82 HydrophobicContact CG-SD 4.48Å; L25-M82 HydrophobicContact CD2-CB 4.49Å; L25-M82 HydrophobicContact CD2-CE 3.76Å; F48-M82 HydrophobicContact CD2-CB 3.88Å; F48-M82 HydrophobicContact CE1-CE 3.78Å; F48-M82 HydrophobicContact CE1-SD 4.25Å; F48-M82 HydrophobicContact CE2-CB 3.85Å; F48-M82 HydrophobicContact CE2-CE 3.87Å; F48-M82 HydrophobicContact CG-CB 4.37Å; F48-M82 HydrophobicContact CZ-CB 4.32Å; F48-M82 HydrophobicContact CZ-CE 3.28Å; F48-M82 HydrophobicContact CZ-SD 4.21Å; K78-M82 HydrophobicContact CG-CG 4.38Å; K78-M82 HydrophobicContact CG-SD 4.09Å; K78-M82 VanDerWaalsContact O-CG 3.28Å; K78-M82 WeakPolarHBondContact O-CG 3.24Å; K78-M82 PolarHBondContact O-N 3.05Å; L79-M82 PolarHBondContact O-N 3Å; K80-M82 VanDerWaalsContact C-N 3.28Å; K80-M82 PolarHBondContact O-N 3.33Å; M82-Y85 WeakPolarHBondContact O-CB 3.39Å; M82-Y85 PolarHBondContact O-N 2.96Å; M82-V86 WeakPolarHBondContact O-CG2 3.49Å; M82-V86 PolarHBondContact O-N 2.95Å; M82-F225 HydrophobicContact CG-CE1 3.77Å; M82-F225 HydrophobicContact CG-CZ 4.1Å
83G90Very high88.1Confident0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-63.8-43.517200000112.7L79 K80 Y85 V86 C87L79-G83 PolarHBondContact O-N 3.23Å; L79-G83 VanDerWaalsContact O-N 3.12Å; K80-G83 PolarHBondContact O-N 2.91Å; K80-G83 VanDerWaalsContact O-N 3.11Å; G83-Y85 VanDerWaalsContact C-N 3.31Å; G83-Y85 PolarHBondContact O-N 3.45Å; G83-V86 PolarHBondContact O-N 3.28Å; G83-C87 PolarHBondContact O-N 2.84Å; G83-C87 VanDerWaalsContact O-N 3.15Å
84L91.7Very high88.1Confident2 Ų221 Ų211%0.0110%0.099CC..Hα-helixtrans-64.1-35.9175.4-66.8175.5000112.6K80 A81 V86 C87 A88 W92 L109 L113 M116 F223K80-L84 WeakPolarHBondContact O-CG 3.44Å; K80-L84 PolarHBondContact O-N 2.87Å; A81-L84 PolarHBondContact O-N 3.32Å; L84-V86 VanDerWaalsContact C-N 3.33Å; L84-V86 PolarHBondContact O-N 2.88Å; L84-C87 PolarHBondContact O-N 3.11Å; L84-A88 WeakPolarHBondContact O-CB 3.42Å; L84-A88 PolarHBondContact O-N 3.46Å; L84-W92 HydrophobicContact CD2-CH2 3.93Å; L84-W92 HydrophobicContact CD2-CZ3 4.41Å; L84-L109 HydrophobicContact CD2-CB 4.09Å; L84-L109 HydrophobicContact CD2-CD2 4.39Å; L84-L109 VanDerWaalsContact CD2-O 3.3Å; L84-L109 WeakPolarHBondContact CD2-O 3.45Å; L84-L109 HydrophobicContact CG-CD2 4.46Å; L84-L113 HydrophobicContact CD1-CB 4.42Å; L84-L113 HydrophobicContact CD1-CD1 4.24Å; L84-L113 HydrophobicContact CD2-CB 3.79Å; L84-L113 HydrophobicContact CD2-CD1 4.33Å; L84-M116 HydrophobicContact CD1-SD 4.29Å; L84-F223 HydrophobicContact CB-CE1 3.62Å; L84-F223 HydrophobicContact CB-CZ 3.62Å; L84-F223 HydrophobicContact CD1-CE1 4.03Å; L84-F223 HydrophobicContact CD1-CZ 4.46Å; L84-F223 HydrophobicContact CG-CE1 4.47Å
85Y90.3Very high87.9Confident23 Ų2320.2 Ų20.29%0.0910%0.098CC..Hα-helixtrans-60.9-41176.3-172.6-110.9000111.8I22 L25 S26 L29 A81 M82 G83 A88 H89 I220 F223 F225I22-Y85 HydrophobicContact CD1-CE1 4.36Å; L25-Y85 HydrophobicContact CD2-CD1 3.87Å; L25-Y85 HydrophobicContact CD2-CE1 4.34Å; L25-Y85 HydrophobicContact CG-CD1 4.38Å; L25-Y85 HydrophobicContact CG-CE1 4.48Å; S26-Y85 PolarHBondContact OG-OH 3.23Å; L29-Y85 HydrophobicContact CD1-CD1 3.54Å; L29-Y85 HydrophobicContact CD1-CE1 3.24Å; A81-Y85 VanDerWaalsContact O-CB 3.22Å; A81-Y85 WeakPolarHBondContact O-CB 3.1Å; A81-Y85 PolarHBondContact O-N 3.23Å; M82-Y85 WeakPolarHBondContact O-CB 3.39Å; M82-Y85 PolarHBondContact O-N 2.96Å; G83-Y85 VanDerWaalsContact C-N 3.31Å; G83-Y85 PolarHBondContact O-N 3.45Å; Y85-A88 PolarHBondContact O-N 2.95Å; Y85-H89 PolarHBondContact O-N 3.47Å; Y85-H89 VanDerWaalsContact O-N 3.08Å; Y85-I220 HydrophobicContact CD2-CG2 3.91Å; Y85-I220 HydrophobicContact CE1-CG2 4.33Å; Y85-I220 HydrophobicContact CE2-CB 4.2Å; Y85-I220 HydrophobicContact CE2-CG2 3.12Å; Y85-I220 WeakPolarHBondContact CE2-O 3.44Å; Y85-I220 VanDerWaalsContact OH-CG2 3.29Å; Y85-I220 WeakPolarHBondContact OH-CG2 3.48Å; Y85-F223 HydrophobicContact CD2-CB 3.85Å; Y85-F223 HydrophobicContact CD2-CD2 4.17Å; Y85-F223 HydrophobicContact CD2-CG 4.26Å; Y85-F223 HydrophobicContact CE2-CB 4.45Å; Y85-F225 AromaticContact CD2-CE2 3.88Å; Y85-F225 HydrophobicContact CD2-CE2 3.88Å; Y85-F225 HydrophobicContact CD2-CZ 4.47Å; Y85-F225 HydrophobicContact CE2-CE2 4.09Å; Y85-F225 HydrophobicContact CG-CE2 4.17Å; Y85-F225 HydrophobicContact CG-CZ 4.41Å
86V89Confident87.7Confident0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-68.9-40.1173.8-177.70000111.4L25 L29 L41 T45 M82 G83 L84 A88 H89 W90L25-V86 HydrophobicContact CD1-CG2 4.39Å; L29-V86 HydrophobicContact CD2-CG1 4.34Å; L29-V86 HydrophobicContact CD2-CG2 4.3Å; L41-V86 HydrophobicContact CD2-CG1 4.47Å; T45-V86 HydrophobicContact CG2-CB 4.24Å; T45-V86 HydrophobicContact CG2-CG1 4.45Å; T45-V86 WeakPolarHBondContact OG1-CG1 3.49Å; M82-V86 WeakPolarHBondContact O-CG2 3.49Å; M82-V86 PolarHBondContact O-N 2.95Å; G83-V86 PolarHBondContact O-N 3.28Å; L84-V86 VanDerWaalsContact C-N 3.33Å; L84-V86 PolarHBondContact O-N 2.88Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.32Å; V86-H89 WeakPolarHBondContact O-CB 3.25Å; V86-H89 PolarHBondContact O-N 2.98Å; V86-W90 HydrophobicContact CG1-CD2 4.08Å; V86-W90 HydrophobicContact CG1-CE3 4.24Å; V86-W90 HydrophobicContact CG1-CH2 3.96Å; V86-W90 HydrophobicContact CG1-CZ2 3.76Å; V86-W90 HydrophobicContact CG1-CZ3 4.19Å; V86-W90 PolarHBondContact O-N 2.85Å
87C89.2Confident87.6Confident1 Ų119 Ų191%0.00710%0.095CC..Hα-helixtrans-63.2-36.5174.8-70.60000113G83 L84 H89 W90 N91 W92 I97 L109G83-C87 PolarHBondContact O-N 2.84Å; G83-C87 VanDerWaalsContact O-N 3.15Å; L84-C87 PolarHBondContact O-N 3.11Å; C87-H89 VanDerWaalsContact C-N 3.35Å; C87-W90 CarbonylContact O-C 3.54Å; C87-W90 PolarHBondContact O-N 3.3Å; C87-N91 PolarHBondContact O-N 2.98Å; C87-W92 HydrophobicContact CB-CE3 3.9Å; C87-W92 HydrophobicContact CB-CH2 3.66Å; C87-W92 HydrophobicContact CB-CZ2 4.39Å; C87-W92 HydrophobicContact CB-CZ3 3.4Å; C87-W92 VanDerWaalsContact CB-CZ3 3.4Å; C87-W92 PolarHBondContact O-N 2.91Å; C87-W92 VanDerWaalsContact O-N 3.12Å; C87-I97 HydrophobicContact CB-CD1 4.11Å; C87-L109 VanDerWaalsContact SG-CD1 3.59Å
88A89Confident87.5Confident1 Ų117.6 Ų17.61%0.0088%0.081CC..Hα-helixtrans-65.7-37.1173.400000111.6L84 Y85 V86 W90 N91 W92 I220 F223L84-A88 WeakPolarHBondContact O-CB 3.42Å; L84-A88 PolarHBondContact O-N 3.46Å; Y85-A88 PolarHBondContact O-N 2.95Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.32Å; A88-W90 VanDerWaalsContact C-N 3.33Å; A88-N91 WeakPolarHBondContact O-CA 2.95Å; A88-N91 PolarHBondContact O-N 3.45Å; A88-N91 PolarHBondContact O-OD1 3.45Å; A88-W92 HydrophobicContact CB-CZ2 4.03Å; A88-I220 HydrophobicContact CB-CG1 4.34Å; A88-F223 HydrophobicContact CB-CD2 4.5Å; A88-F223 HydrophobicContact CB-CE2 3.91Å
89H85.6Confident87.1Confident40 Ų4022.2 Ų22.219%0.18511%0.107CC..Hα-helixtrans-65.3-34.7170.9-179.873.9000113.3L29 S32 Y85 V86 C87 N91 I220L29-H89 HydrophobicContact CD1-CB 4.23Å; L29-H89 HydrophobicContact CD2-CB 3.78Å; L29-H89 HydrophobicContact CG-CB 4.45Å; L29-H89 PolarHBondContact O-CE1 3.12Å; L29-H89 PolarHBondContact O-NE2 3.33Å; L29-H89 VanDerWaalsContact O-NE2 3.11Å; S32-H89 PolarHBondContact OG-NE2 3.34Å; Y85-H89 PolarHBondContact O-N 3.47Å; Y85-H89 VanDerWaalsContact O-N 3.08Å; V86-H89 WeakPolarHBondContact O-CB 3.25Å; V86-H89 PolarHBondContact O-N 2.98Å; C87-H89 VanDerWaalsContact C-N 3.35Å; H89-N91 PolarHBondContact O-N 3.49Å; H89-I220 HydrophobicContact CB-CD1 3.69Å; H89-I220 HydrophobicContact CB-CG1 4.14Å
90W84.4Confident86.7Confident10 Ų1023.1 Ų23.14%0.03811%0.113CC..THydrogen-bonded Turntrans-78.210.5169.7-63.6-22.6000113.3L41 I42 V86 C87 A88 W92 N93 K96 I97 L101L41-W90 HydrophobicContact CB-CZ2 4.33Å; I42-W90 HydrophobicContact CG1-CH2 4.19Å; I42-W90 HydrophobicContact CG1-CZ2 4.17Å; V86-W90 HydrophobicContact CG1-CD2 4.08Å; V86-W90 HydrophobicContact CG1-CE3 4.24Å; V86-W90 HydrophobicContact CG1-CH2 3.96Å; V86-W90 HydrophobicContact CG1-CZ2 3.76Å; V86-W90 HydrophobicContact CG1-CZ3 4.19Å; V86-W90 PolarHBondContact O-N 2.85Å; C87-W90 CarbonylContact O-C 3.54Å; C87-W90 PolarHBondContact O-N 3.3Å; A88-W90 VanDerWaalsContact C-N 3.33Å; W90-W92 PolarHBondContact O-N 3.37Å; W90-W92 VanDerWaalsContact O-N 3.07Å; W90-N93 VanDerWaalsContact O-CB 3.26Å; W90-N93 WeakPolarHBondContact O-CB 3.34Å; W90-N93 PolarHBondContact O-N 2.97Å; W90-K96 HydrophobicContact CB-CD 4.3Å; W90-K96 VanDerWaalsContact CD1-CE 3.49Å; W90-K96 HydrophobicContact CD2-CD 4.26Å; W90-K96 HydrophobicContact CD2-CG 4.25Å; W90-K96 HydrophobicContact CG-CD 3.85Å; W90-K96 HydrophobicContact CG-CG 4.24Å; W90-K96 VanDerWaalsContact NE1-CE 3.3Å; W90-I97 HydrophobicContact CB-CG1 4.48Å; W90-I97 HydrophobicContact CE3-CG1 3.8Å; W90-L101 HydrophobicContact CH2-CD2 4.04Å; W90-L101 HydrophobicContact CH2-CG 4.32Å; W90-L101 HydrophobicContact CZ3-CD1 4Å; W90-L101 HydrophobicContact CZ3-CD2 4.07Å; W90-L101 HydrophobicContact CZ3-CG 3.88Å
91N83.8Confident86.3Confident54 Ų5421.6 Ų21.629%0.28911%0.107SC..THydrogen-bonded Turntrans53.630.8174.3-71.8-27.1000113.9C87 A88 H89 N93 A289 H290C87-N91 PolarHBondContact O-N 2.98Å; A88-N91 WeakPolarHBondContact O-CA 2.95Å; A88-N91 PolarHBondContact O-N 3.45Å; A88-N91 PolarHBondContact O-OD1 3.45Å; H89-N91 PolarHBondContact O-N 3.49Å; N91-N93 PolarHBondContact O-N 3.47Å; N91-A289 WeakPolarHBondContact CB-O 3.34Å; N91-A289 PolarHBondContact ND2-O 3.41Å; N91-A289 VanDerWaalsContact ND2-O 3.13Å; N91-H290 PolarHBondContact O-ND1 3.24Å; N91-H290 VanDerWaalsContact O-ND1 3.17Å
92W87.7Confident85.8Confident13 Ų1322.8 Ų22.85%0.04912%0.119CC..THydrogen-bonded Turntrans57.328.6-176.7-52.197.2000113.9L84 C87 A88 W90 L94 I97 L113 F142 L146 L217 P218L84-W92 HydrophobicContact CD2-CH2 3.93Å; L84-W92 HydrophobicContact CD2-CZ3 4.41Å; C87-W92 HydrophobicContact CB-CE3 3.9Å; C87-W92 HydrophobicContact CB-CH2 3.66Å; C87-W92 HydrophobicContact CB-CZ2 4.39Å; C87-W92 HydrophobicContact CB-CZ3 3.4Å; C87-W92 VanDerWaalsContact CB-CZ3 3.4Å; C87-W92 PolarHBondContact O-N 2.91Å; C87-W92 VanDerWaalsContact O-N 3.12Å; A88-W92 HydrophobicContact CB-CZ2 4.03Å; W90-W92 PolarHBondContact O-N 3.37Å; W90-W92 VanDerWaalsContact O-N 3.07Å; W92-L94 PolarHBondContact O-N 3.33Å; W92-I97 HydrophobicContact CE3-CD1 4.24Å; W92-L113 HydrophobicContact CE3-CD2 4.25Å; W92-L113 HydrophobicContact CH2-CD1 4.27Å; W92-L113 HydrophobicContact CH2-CD2 3.43Å; W92-L113 VanDerWaalsContact CH2-CD2 3.43Å; W92-L113 HydrophobicContact CH2-CG 4.36Å; W92-L113 HydrophobicContact CZ2-CD1 4.42Å; W92-L113 HydrophobicContact CZ2-CD2 3.74Å; W92-L113 HydrophobicContact CZ3-CD2 3.68Å; W92-F142 HydrophobicContact CB-CZ 4.06Å; W92-F142 HydrophobicContact CG-CE1 4.29Å; W92-F142 HydrophobicContact CG-CZ 4.07Å; W92-L146 HydrophobicContact CB-CD1 4.06Å; W92-L146 HydrophobicContact CB-CD2 4.15Å; W92-L146 HydrophobicContact CD2-CD2 4.19Å; W92-L146 HydrophobicContact CE3-CD2 3.93Å; W92-L146 HydrophobicContact CG-CD2 4.28Å; W92-L217 HydrophobicContact CG-CD1 4.48Å; W92-P218 HydrophobicContact CZ2-CG 4.13Å; W92-P218 PolarHBondContact NE1-O 2.81Å
93N85.4Confident85.2Confident28 Ų2824.1 Ų24.115%0.1513%0.127CC..  trans-67.7103.2173.3-175.7-38.5000109.9W90 N91 F95 K96 I97 Y292W90-N93 VanDerWaalsContact O-CB 3.26Å; W90-N93 WeakPolarHBondContact O-CB 3.34Å; W90-N93 PolarHBondContact O-N 2.97Å; N91-N93 PolarHBondContact O-N 3.47Å; N93-F95 VanDerWaalsContact C-N 3.28Å; N93-F95 PolarHBondContact O-N 2.96Å; N93-F95 WeakPolarHBondContact OD1-CB 3.22Å; N93-F95 PolarHBondContact OD1-N 3.41Å; N93-F95 VanDerWaalsContact OD1-N 3.13Å; N93-K96 HydrophobicContact CB-CB 4.11Å; N93-K96 PolarHBondContact O-N 3.47Å; N93-K96 VanDerWaalsContact O-N 3.09Å; N93-K96 PolarHBondContact OD1-N 2.94Å; N93-K96 VanDerWaalsContact OD1-N 3.12Å; N93-I97 WeakPolarHBondContact O-CB 2.93Å; N93-I97 WeakPolarHBondContact O-CG1 3.22Å; N93-I97 PolarHBondContact O-N 3.35Å; N93-Y292 WeakPolarHBondContact OD1-CD1 3.47Å
94L85.7Confident84.7Confident5 Ų528.5 Ų28.53%0.02615%0.149CC..Hα-helixtrans-58.9-36.2-175.6-65.4177.7000113.2W92 C98 L146 R149 W150 Y292W92-L94 PolarHBondContact O-N 3.33Å; L94-C98 VanDerWaalsContact O-CB 3.25Å; L94-C98 WeakPolarHBondContact O-CB 3.47Å; L94-C98 PolarHBondContact O-N 3.13Å; L94-C98 PolarHBondContact O-SG 3.36Å; L94-L146 HydrophobicContact CD1-CD1 4.32Å; L94-L146 HydrophobicContact CD2-CD1 3.66Å; L94-L146 HydrophobicContact CD2-CG 4.33Å; L94-L146 HydrophobicContact CG-CD1 3.99Å; L94-R149 HydrophobicContact CD1-CB 3.54Å; L94-W150 HydrophobicContact CD1-CB 4.33Å; L94-W150 HydrophobicContact CD2-CB 4.09Å; L94-W150 HydrophobicContact CD2-CG 4.49Å; L94-Y292 HydrophobicContact CB-CE1 4.17Å
95F81.8Confident84.3Confident72 Ų7229.5 Ų29.532%0.31615%0.154SC..Hα-helixtrans-59.8-54.3173.9178.2-76.6000110.1N93 I97 C98 D99 F153 R157 Y292N93-F95 VanDerWaalsContact C-N 3.28Å; N93-F95 PolarHBondContact O-N 2.96Å; N93-F95 WeakPolarHBondContact OD1-CB 3.22Å; N93-F95 PolarHBondContact OD1-N 3.41Å; N93-F95 VanDerWaalsContact OD1-N 3.13Å; F95-I97 PolarHBondContact O-N 2.94Å; F95-C98 PolarHBondContact O-N 2.99Å; F95-D99 HydrophobicContact CE1-CB 4.49Å; F95-D99 WeakPolarHBondContact O-CB 3.08Å; F95-D99 PolarHBondContact O-N 3.01Å; F95-F153 HydrophobicContact CB-CE2 4.19Å; F95-F153 HydrophobicContact CB-CZ 4.18Å; F95-F153 HydrophobicContact CD2-CE2 4.41Å; F95-F153 HydrophobicContact CD2-CZ 4.34Å; F95-R157 VanDerWaalsContact CE2-CZ 3.48Å; F95-Y292 HydrophobicContact CB-CD1 3.71Å; F95-Y292 HydrophobicContact CB-CD2 4.23Å; F95-Y292 HydrophobicContact CB-CE1 4.31Å; F95-Y292 HydrophobicContact CB-CG 3.64Å; F95-Y292 HydrophobicContact CG-CG 4.47Å
96K82.2Confident84.1Confident53 Ų5328.5 Ų28.523%0.2315%0.151CC..Hα-helixtrans-63.1-44.7-177.2-172.1167.6-176.5172.40111.1D38 W90 N93 S100D38-K96 VanDerWaalsContact CG-NZ 3.31Å; D38-K96 WeakPolarHBondContact OD1-CE 3.44Å; D38-K96 IonicContact OD1-NZ 3.14Å; D38-K96 PolarHBondContact OD1-NZ 3.15Å; D38-K96 WeakPolarHBondContact OD2-CE 3.44Å; D38-K96 IonicContact OD2-NZ 2.93Å; D38-K96 PolarHBondContact OD2-NZ 3.25Å; W90-K96 HydrophobicContact CB-CD 4.3Å; W90-K96 VanDerWaalsContact CD1-CE 3.49Å; W90-K96 HydrophobicContact CD2-CD 4.26Å; W90-K96 HydrophobicContact CD2-CG 4.25Å; W90-K96 HydrophobicContact CG-CD 3.85Å; W90-K96 HydrophobicContact CG-CG 4.24Å; W90-K96 VanDerWaalsContact NE1-CE 3.3Å; N93-K96 HydrophobicContact CB-CB 4.11Å; N93-K96 PolarHBondContact O-N 3.47Å; N93-K96 VanDerWaalsContact O-N 3.09Å; N93-K96 PolarHBondContact OD1-N 2.94Å; N93-K96 VanDerWaalsContact OD1-N 3.12Å; K96-S100 WeakPolarHBondContact O-CB 3.25Å; K96-S100 PolarHBondContact O-N 2.84Å; K96-S100 PolarHBondContact O-OG 2.89Å
97I86.8Confident83.9Confident9 Ų930.8 Ų30.85%0.04616%0.159CC..Hα-helixtrans-62.4-49.5180-72.2166.3000111.5C87 W90 W92 N93 F95 L101C87-I97 HydrophobicContact CB-CD1 4.11Å; W90-I97 HydrophobicContact CB-CG1 4.48Å; W90-I97 HydrophobicContact CE3-CG1 3.8Å; W92-I97 HydrophobicContact CE3-CD1 4.24Å; N93-I97 WeakPolarHBondContact O-CB 2.93Å; N93-I97 WeakPolarHBondContact O-CG1 3.22Å; N93-I97 PolarHBondContact O-N 3.35Å; F95-I97 PolarHBondContact O-N 2.94Å; I97-L101 HydrophobicContact CG2-CD1 4.34Å; I97-L101 WeakPolarHBondContact O-CB 3.41Å; I97-L101 PolarHBondContact O-N 3.4Å
98C84Confident83.8Confident0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-72-39-176-64.80000112.2L94 F95 S100 G102 F153 Y158L94-C98 VanDerWaalsContact O-CB 3.25Å; L94-C98 WeakPolarHBondContact O-CB 3.47Å; L94-C98 PolarHBondContact O-N 3.13Å; L94-C98 PolarHBondContact O-SG 3.36Å; F95-C98 PolarHBondContact O-N 2.99Å; C98-S100 VanDerWaalsContact C-N 3.35Å; C98-G102 WeakPolarHBondContact O-CA 3.48Å; C98-G102 PolarHBondContact O-N 3.46Å; C98-F153 HydrophobicContact CB-CD1 4.42Å; C98-F153 HydrophobicContact CB-CE1 3.73Å; C98-Y158 HydrophobicContact CB-CE2 4.3Å; C98-Y158 PolarHBondContact O-OH 2.89Å
99D80.7Confident83.9Confident110 Ų11031.5 Ų31.559%0.58816%0.162SC*.Hα-helixtrans-67.2-37.7176.6-164.759.7000111.5F95F95-D99 HydrophobicContact CE1-CB 4.49Å; F95-D99 WeakPolarHBondContact O-CB 3.08Å; F95-D99 PolarHBondContact O-N 3.01Å
100S82.3Confident84.1Confident20 Ų2030.1 Ų30.114%0.1416%0.156CC..Hα-helixtrans-72.5-53.1178.1-690000113.4I42 K96 C98I42-S100 WeakPolarHBondContact CG2-O 3.26Å; K96-S100 WeakPolarHBondContact O-CB 3.25Å; K96-S100 PolarHBondContact O-N 2.84Å; K96-S100 PolarHBondContact O-OG 2.89Å; C98-S100 VanDerWaalsContact C-N 3.35Å
101L83Confident84.3Confident12 Ų1231.6 Ų31.66%0.06316%0.163CC..Hα-helixtrans-100.2-14.7-167.6-54.9-178.7000113.5T45 W90 I97 N105 L109T45-L101 HydrophobicContact CG2-CD1 3.77Å; T45-L101 HydrophobicContact CG2-CD2 3.54Å; T45-L101 HydrophobicContact CG2-CG 4.32Å; W90-L101 HydrophobicContact CH2-CD2 4.04Å; W90-L101 HydrophobicContact CH2-CG 4.32Å; W90-L101 HydrophobicContact CZ3-CD1 4Å; W90-L101 HydrophobicContact CZ3-CD2 4.07Å; W90-L101 HydrophobicContact CZ3-CG 3.88Å; I97-L101 HydrophobicContact CG2-CD1 4.34Å; I97-L101 WeakPolarHBondContact O-CB 3.41Å; I97-L101 PolarHBondContact O-N 3.4Å; L101-N105 HydrophobicContact CB-CB 3.86Å; L101-N105 WeakPolarHBondContact O-CB 3.03Å; L101-N105 PolarHBondContact O-ND2 3.14Å; L101-L109 HydrophobicContact CD1-CD1 3.72Å
102G78.3Confident84.6Confident26 Ų2631.3 Ų31.327%0.26816%0.159SC..Hα-helixtrans77.5172.4-169.500000113.8C98 M104 S106C98-G102 WeakPolarHBondContact O-CA 3.48Å; C98-G102 PolarHBondContact O-N 3.46Å; G102-M104 PolarHBondContact O-N 3.03Å; G102-S106 WeakPolarHBondContact O-CB 3.43Å; G102-S106 PolarHBondContact O-N 3.45Å; G102-S106 VanDerWaalsContact O-N 3.16Å; G102-S106 PolarHBondContact O-OG 3.36Å
103V78.5Confident84.7Confident27 Ų2730.7 Ų30.716%0.16416%0.157CC..Hα-helixtrans-63-40.4-174.4-1780000112.5S106 R107 W150 L154 Y158V103-S106 PolarHBondContact O-OG 3.37Å; V103-R107 WeakPolarHBondContact O-CB 3.3Å; V103-R107 PolarHBondContact O-N 3.38Å; V103-R107 VanDerWaalsContact O-N 3.12Å; V103-W150 HydrophobicContact CG1-CZ2 4.37Å; V103-L154 HydrophobicContact CB-CD2 4.29Å; V103-L154 HydrophobicContact CG1-CD1 3.79Å; V103-L154 HydrophobicContact CG1-CD2 3.88Å; V103-L154 HydrophobicContact CG2-CD2 3.7Å; V103-Y158 HydrophobicContact CG2-CD1 3.85Å; V103-Y158 HydrophobicContact CG2-CD2 4.22Å; V103-Y158 HydrophobicContact CG2-CE1 4.01Å; V103-Y158 HydrophobicContact CG2-CE2 4.37Å; V103-Y158 HydrophobicContact CG2-CG 3.95Å
104M78.7Confident84.9Confident92 Ų9229.3 Ų29.345%0.45315%0.15SC..Hα-helixtrans-69.7-47.6-175.2-68.1-58.6-63.900112.8G102 Y108 Q189G102-M104 PolarHBondContact O-N 3.03Å; M104-Y108 WeakPolarHBondContact O-CB 3.22Å; M104-Y108 PolarHBondContact O-N 2.97Å; M104-Q189 PolarHBondContact SD-NE2 3.4Å; M104-Q189 PolarHBondContact SD-OE1 2.92Å
105N83.8Confident85Confident23 Ų2331.7 Ų31.712%0.12317%0.17CC..Hα-helixtrans-73.5-36.2-177.6-69.1-28.2000111.6C49 Q53 L101 Y108 L109C49-N105 HydrophobicContact CB-CB 4.19Å; C49-N105 WeakPolarHBondContact CB-OD1 3.43Å; Q53-N105 PolarHBondContact NE2-OD1 3.17Å; L101-N105 HydrophobicContact CB-CB 3.86Å; L101-N105 WeakPolarHBondContact O-CB 3.03Å; L101-N105 PolarHBondContact O-ND2 3.14Å; N105-Y108 PolarHBondContact O-N 3.43Å; N105-L109 WeakPolarHBondContact O-CG 3.3Å; N105-L109 PolarHBondContact O-N 3.17Å
106S86.2Confident85.2Confident3 Ų331.9 Ų31.92%0.02117%0.173CC..Hα-helixtrans-62.4-44.3173.758.10000112G102 V103 L110 W150G102-S106 WeakPolarHBondContact O-CB 3.43Å; G102-S106 PolarHBondContact O-N 3.45Å; G102-S106 VanDerWaalsContact O-N 3.16Å; G102-S106 PolarHBondContact O-OG 3.36Å; V103-S106 PolarHBondContact O-OG 3.37Å; S106-L110 WeakPolarHBondContact O-CB 3.2Å; S106-L110 PolarHBondContact O-N 2.48Å; S106-W150 PolarHBondContact OG-NE1 2.67Å
107R85.7Confident85.3Confident47 Ų4730.3 Ų30.318%0.17717%0.167CC..Hα-helixtrans-57.9-49.9172.4-172.6178.6170.3148.53.3111.7V103 L109 L110 E111 L124 W150V103-R107 WeakPolarHBondContact O-CB 3.3Å; V103-R107 PolarHBondContact O-N 3.38Å; V103-R107 VanDerWaalsContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 3.05Å; R107-L110 PolarHBondContact O-N 3.44Å; R107-E111 HydrophobicContact CG-CG 4.46Å; R107-E111 IonicContact CZ-OE1 3.58Å; R107-E111 IonicContact NE-OE1 3.6Å; R107-E111 PolarHBondContact NE-OE1 3.3Å; R107-E111 IonicContact NH2-OE1 3.3Å; R107-E111 PolarHBondContact NH2-OE1 2.68Å; R107-E111 WeakPolarHBondContact O-CB 3.47Å; R107-E111 PolarHBondContact O-N 2.79Å; R107-L124 HydrophobicContact CG-CD1 4.23Å; R107-W150 HydrophobicContact CB-CH2 3.56Å; R107-W150 HydrophobicContact CB-CZ2 3.46Å; R107-W150 VanDerWaalsContact CB-CZ2 3.46Å; R107-W150 HydrophobicContact CG-CH2 3.66Å; R107-W150 HydrophobicContact CG-CZ2 4.07Å; R107-W150 HydrophobicContact CG-CZ3 4.39Å
108Y87.3Confident85.2Confident16 Ų1630.8 Ų30.86%0.06317%0.17CC..Hα-helixtrans-57-50.7-177.1172.9-102000111.2C49 A52 Q53 K80 M104 N105 E111 K112C49-Y108 HydrophobicContact CB-CD1 4.43Å; A52-Y108 HydrophobicContact CB-CE1 4.21Å; A52-Y108 WeakPolarHBondContact CB-OH 3.45Å; Q53-Y108 HydrophobicContact CG-CD1 4.34Å; Q53-Y108 HydrophobicContact CG-CD2 3.77Å; Q53-Y108 HydrophobicContact CG-CE1 4.14Å; Q53-Y108 HydrophobicContact CG-CE2 3.53Å; Q53-Y108 HydrophobicContact CG-CG 4.17Å; K80-Y108 VanDerWaalsContact CE-OH 3.25Å; K80-Y108 WeakPolarHBondContact CE-OH 3.39Å; K80-Y108 HydrophobicContact CG-CE1 4.41Å; K80-Y108 WeakPolarHBondContact CG-OH 3.31Å; M104-Y108 WeakPolarHBondContact O-CB 3.22Å; M104-Y108 PolarHBondContact O-N 2.97Å; N105-Y108 PolarHBondContact O-N 3.43Å; Y108-E111 PolarHBondContact O-N 2.97Å; Y108-K112 HydrophobicContact CE1-CG 4.3Å; Y108-K112 HydrophobicContact CE2-CD 4.33Å; Y108-K112 HydrophobicContact CE2-CG 4.23Å; Y108-K112 VanDerWaalsContact O-CG 3.31Å; Y108-K112 WeakPolarHBondContact O-CG 3.35Å; Y108-K112 PolarHBondContact O-N 3.05Å
109L90.5Very high84.8Confident2 Ų236.1 Ų36.11%0.0120%0.204CC..Hα-helixtrans-64.1-42.6179-70178.3000111.8T45 L84 C87 L101 N105 R107 E111 K112 L113T45-L109 HydrophobicContact CG2-CD1 4.37Å; L84-L109 HydrophobicContact CD2-CB 4.09Å; L84-L109 HydrophobicContact CD2-CD2 4.39Å; L84-L109 VanDerWaalsContact CD2-O 3.3Å; L84-L109 WeakPolarHBondContact CD2-O 3.45Å; L84-L109 HydrophobicContact CG-CD2 4.46Å; C87-L109 VanDerWaalsContact SG-CD1 3.59Å; L101-L109 HydrophobicContact CD1-CD1 3.72Å; N105-L109 WeakPolarHBondContact O-CG 3.3Å; N105-L109 PolarHBondContact O-N 3.17Å; R107-L109 PolarHBondContact O-N 3.05Å; L109-E111 PolarHBondContact O-N 3.12Å; L109-K112 PolarHBondContact O-N 3.46Å; L109-K112 VanDerWaalsContact O-N 3.15Å; L109-L113 PolarHBondContact O-N 3.09Å
110L89.3Confident84.7Confident10 Ų1038.1 Ų38.15%0.05222%0.215CC..Hα-helixtrans-60.6-46.5177.4-174.765.1000112S106 R107 K112 L113 C114 L124 L146 W150S106-L110 WeakPolarHBondContact O-CB 3.2Å; S106-L110 PolarHBondContact O-N 2.48Å; R107-L110 PolarHBondContact O-N 3.44Å; L110-K112 VanDerWaalsContact C-N 3.28Å; L110-K112 PolarHBondContact O-N 3.02Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-C114 PolarHBondContact O-N 3.13Å; L110-C114 PolarHBondContact O-SG 2.97Å; L110-C114 VanDerWaalsContact O-SG 3.37Å; L110-L124 HydrophobicContact CD2-CD1 3.84Å; L110-L124 HydrophobicContact CD2-CD2 4.23Å; L110-L124 HydrophobicContact CG-CD1 4.23Å; L110-L124 HydrophobicContact CG-CD2 4.19Å; L110-L146 HydrophobicContact CD1-CD2 3.69Å; L110-L146 HydrophobicContact CD1-CG 4.06Å; L110-W150 HydrophobicContact CD2-CB 4.05Å; L110-W150 HydrophobicContact CD2-CD2 4.23Å; L110-W150 HydrophobicContact CD2-CG 4.01Å
111E89.1Confident84.7Confident42 Ų4239 Ų3920%0.19622%0.216CC..Hα-helixtrans-58.3-39.5174.1-81.7176.1-179.200111.9R107 Y108 L109 A115 F121 L124R107-E111 HydrophobicContact CG-CG 4.46Å; R107-E111 IonicContact CZ-OE1 3.58Å; R107-E111 IonicContact NE-OE1 3.6Å; R107-E111 PolarHBondContact NE-OE1 3.3Å; R107-E111 IonicContact NH2-OE1 3.3Å; R107-E111 PolarHBondContact NH2-OE1 2.68Å; R107-E111 WeakPolarHBondContact O-CB 3.47Å; R107-E111 PolarHBondContact O-N 2.79Å; Y108-E111 PolarHBondContact O-N 2.97Å; L109-E111 PolarHBondContact O-N 3.12Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.31Å; E111-F121 HydrophobicContact CB-CE1 4.26Å; E111-F121 HydrophobicContact CB-CZ 4.39Å; E111-F121 HydrophobicContact CG-CE1 4.44Å; E111-F121 HydrophobicContact CG-CZ 4.18Å; E111-F121 WeakPolarHBondContact O-CE1 3.38Å; E111-L124 HydrophobicContact CG-CD1 3.7Å; E111-L124 HydrophobicContact CG-CD2 4.49Å; E111-L124 HydrophobicContact CG-CG 3.57Å
112K89.7Confident84.5Confident47 Ų4743.3 Ų43.320%0.20424%0.243CC..Hα-helixtrans-71.3-34.6178-64.2-37.6175.6175.20112.9E56 K80 Y108 L109 L110 A115 M116E56-K112 VanDerWaalsContact CD-NZ 3.33Å; E56-K112 VanDerWaalsContact OE1-CE 3.23Å; E56-K112 WeakPolarHBondContact OE1-CE 3.49Å; E56-K112 IonicContact OE1-NZ 3.51Å; E56-K112 PolarHBondContact OE1-NZ 3.09Å; E56-K112 IonicContact OE2-NZ 2.71Å; E56-K112 PolarHBondContact OE2-NZ 2.91Å; E56-K112 VanDerWaalsContact OE2-NZ 3.07Å; K80-K112 HydrophobicContact CD-CD 4.48Å; K80-K112 HydrophobicContact CD-CG 4.17Å; K80-K112 HydrophobicContact CG-CG 4.27Å; Y108-K112 HydrophobicContact CE1-CG 4.3Å; Y108-K112 HydrophobicContact CE2-CD 4.33Å; Y108-K112 HydrophobicContact CE2-CG 4.23Å; Y108-K112 VanDerWaalsContact O-CG 3.31Å; Y108-K112 WeakPolarHBondContact O-CG 3.35Å; Y108-K112 PolarHBondContact O-N 3.05Å; L109-K112 PolarHBondContact O-N 3.46Å; L109-K112 VanDerWaalsContact O-N 3.15Å; L110-K112 VanDerWaalsContact C-N 3.28Å; L110-K112 PolarHBondContact O-N 3.02Å; K112-A115 PolarHBondContact O-N 3.16Å; K112-M116 WeakPolarHBondContact O-CB 3.35Å; K112-M116 PolarHBondContact O-N 3.04Å
113L90.2Very high84.6Confident0 Ų043.7 Ų43.70%024%0.241CC..Hα-helixtrans-63.7-47.2173.4-174.464.5000110.8L84 W92 L109 L110 A115 M116 V117 L143 P218 F223L84-L113 HydrophobicContact CD1-CB 4.42Å; L84-L113 HydrophobicContact CD1-CD1 4.24Å; L84-L113 HydrophobicContact CD2-CB 3.79Å; L84-L113 HydrophobicContact CD2-CD1 4.33Å; W92-L113 HydrophobicContact CE3-CD2 4.25Å; W92-L113 HydrophobicContact CH2-CD1 4.27Å; W92-L113 HydrophobicContact CH2-CD2 3.43Å; W92-L113 VanDerWaalsContact CH2-CD2 3.43Å; W92-L113 HydrophobicContact CH2-CG 4.36Å; W92-L113 HydrophobicContact CZ2-CD1 4.42Å; W92-L113 HydrophobicContact CZ2-CD2 3.74Å; W92-L113 HydrophobicContact CZ3-CD2 3.68Å; L109-L113 PolarHBondContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.43Å; L113-A115 PolarHBondContact O-N 2.96Å; L113-M116 WeakPolarHBondContact O-CB 3.47Å; L113-M116 PolarHBondContact O-N 3.27Å; L113-M116 VanDerWaalsContact O-N 3.17Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.42Å; L113-L143 HydrophobicContact CD2-CD2 3.3Å; L113-L143 HydrophobicContact CG-CD2 3.67Å; L113-P218 HydrophobicContact CD2-CG 4.48Å; L113-F223 HydrophobicContact CD1-CZ 4.36Å
114C89.1Confident84.6Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-59.4-46.4176-66.10000111.3L110 M116 V117 M118 F121 M127L110-C114 PolarHBondContact O-N 3.13Å; L110-C114 PolarHBondContact O-SG 2.97Å; L110-C114 VanDerWaalsContact O-SG 3.37Å; C114-M116 VanDerWaalsContact C-N 3.25Å; C114-M116 PolarHBondContact O-N 3.31Å; C114-V117 PolarHBondContact O-N 3.48Å; C114-M118 VanDerWaalsContact O-CB 3.32Å; C114-M118 WeakPolarHBondContact O-CB 3.47Å; C114-M118 PolarHBondContact O-N 3.42Å; C114-F121 HydrophobicContact CB-CD1 3.87Å; C114-F121 HydrophobicContact CB-CD2 3.55Å; C114-F121 HydrophobicContact CB-CE1 3.73Å; C114-F121 HydrophobicContact CB-CE2 3.41Å; C114-F121 VanDerWaalsContact CB-CE2 3.41Å; C114-F121 HydrophobicContact CB-CG 3.77Å; C114-F121 HydrophobicContact CB-CZ 3.48Å; C114-F121 VanDerWaalsContact CB-CZ 3.48Å; C114-M127 HydrophobicContact CB-CE 4.44Å
115A87.3Confident84.3Confident54 Ų5439.8 Ų39.845%0.44622%0.223SC..Hα-helixtrans-63-28.5177.100000113.9E111 K112 L113 F121E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.31Å; K112-A115 PolarHBondContact O-N 3.16Å; L113-A115 PolarHBondContact O-N 2.96Å; A115-F121 HydrophobicContact CB-CD1 3.8Å; A115-F121 HydrophobicContact CB-CE1 4.33Å
116M85.7Confident83.9Confident77 Ų7742.2 Ų42.238%0.37924%0.236SC..Hα-helixtrans-75.2-30.6178.2-178.6175.4-113.600112.3L84 K112 L113 C114 F223 F235L84-M116 HydrophobicContact CD1-SD 4.29Å; K112-M116 WeakPolarHBondContact O-CB 3.35Å; K112-M116 PolarHBondContact O-N 3.04Å; L113-M116 WeakPolarHBondContact O-CB 3.47Å; L113-M116 PolarHBondContact O-N 3.27Å; L113-M116 VanDerWaalsContact O-N 3.17Å; C114-M116 VanDerWaalsContact C-N 3.25Å; C114-M116 PolarHBondContact O-N 3.31Å; M116-F223 HydrophobicContact SD-CE1 4.26Å; M116-F235 HydrophobicContact CE-CB 4.17Å; M116-F235 HydrophobicContact CG-CB 4.07Å; M116-F235 HydrophobicContact CG-CG 4.29Å; M116-F235 HydrophobicContact SD-CB 3.71Å; M116-F235 HydrophobicContact SD-CD2 3.93Å; M116-F235 HydrophobicContact SD-CG 3.95Å
117V85.2Confident83.4Confident20 Ų2042.4 Ų42.412%0.12124%0.236CC..Hα-helixtrans-102.5-34.9-171.91730000112.4L113 C114 L139 Y140 L143 F235L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.42Å; C114-V117 PolarHBondContact O-N 3.48Å; V117-L139 HydrophobicContact CB-CD2 4.43Å; V117-L139 HydrophobicContact CG1-CD2 3.46Å; V117-L139 VanDerWaalsContact CG1-CD2 3.46Å; V117-L139 HydrophobicContact CG1-CG 3.84Å; V117-L139 HydrophobicContact CG2-CD2 4.04Å; V117-Y140 HydrophobicContact CG1-CD1 3.74Å; V117-Y140 HydrophobicContact CG1-CE1 3.44Å; V117-Y140 VanDerWaalsContact CG1-CE1 3.44Å; V117-Y140 WeakPolarHBondContact O-CE1 3.36Å; V117-Y140 PolarHBondContact O-OH 3.3Å; V117-L143 HydrophobicContact CB-CD1 3.68Å; V117-L143 HydrophobicContact CG1-CD1 3.6Å; V117-L143 HydrophobicContact CG2-CD1 4.01Å; V117-F235 HydrophobicContact CG2-CD1 4.26Å; V117-F235 HydrophobicContact CG2-CE1 3.72Å; V117-F235 HydrophobicContact CG2-CZ 3.96Å
118M83.8Confident82.9Confident19 Ų1941.2 Ų41.29%0.09423%0.233CC..  trans-107.9111.8-174-64.6174.4-17900110.5C114 N120 F121 M127 Y140 L143 I144C114-M118 VanDerWaalsContact O-CB 3.32Å; C114-M118 WeakPolarHBondContact O-CB 3.47Å; C114-M118 PolarHBondContact O-N 3.42Å; M118-N120 VanDerWaalsContact C-N 3.26Å; M118-N120 PolarHBondContact O-N 3.44Å; M118-F121 HydrophobicContact CB-CB 3.8Å; M118-F121 WeakPolarHBondContact O-CB 3.42Å; M118-F121 PolarHBondContact O-N 3.08Å; M118-F121 HydrophobicContact SD-CD2 4.49Å; M118-M127 HydrophobicContact CE-CE 3.62Å; M118-M127 HydrophobicContact SD-CE 3.45Å; M118-M127 WeakPolarHBondContact SD-CE 3.01Å; M118-Y140 HydrophobicContact CE-CD1 4.43Å; M118-Y140 HydrophobicContact CE-CD2 4.5Å; M118-Y140 HydrophobicContact CE-CG 4.05Å; M118-Y140 HydrophobicContact CG-CD1 4.22Å; M118-Y140 HydrophobicContact CG-CD2 4.22Å; M118-Y140 HydrophobicContact CG-CE1 4.11Å; M118-Y140 HydrophobicContact CG-CE2 4.11Å; M118-Y140 HydrophobicContact CG-CG 4.27Å; M118-L143 HydrophobicContact CE-CB 3.67Å; M118-L143 HydrophobicContact CE-CD1 3.97Å; M118-L143 HydrophobicContact CE-CG 4.46Å; M118-I144 HydrophobicContact CE-CD1 4.22Å; M118-I144 HydrophobicContact CE-CG1 3.91Å
119P76.8Confident82.3Confident111 Ų11147.3 Ų47.372%0.72127%0.266SS*.THydrogen-bonded Turntrans-66-24.8-172.822.7-31.2000114.1Y140P119-Y140 WeakPolarHBondContact CD-OH 3.48Å
120N77.9Confident81.5Confident153 Ų15351.2 Ų51.282%0.81829%0.286SS*.THydrogen-bonded Turntrans-103.114.3-179.8-64.5-23000113.1M118 T122M118-N120 VanDerWaalsContact C-N 3.26Å; M118-N120 PolarHBondContact O-N 3.44Å; N120-T122 PolarHBondContact O-N 3.26Å
121F82.1Confident80.7Confident37 Ų3755.2 Ų55.216%0.16231%0.308CS..  trans-73.2118.9-178.4177-96.3000111.7E111 C114 A115 M118 C123 L124 M127E111-F121 HydrophobicContact CB-CE1 4.26Å; E111-F121 HydrophobicContact CB-CZ 4.39Å; E111-F121 HydrophobicContact CG-CE1 4.44Å; E111-F121 HydrophobicContact CG-CZ 4.18Å; E111-F121 WeakPolarHBondContact O-CE1 3.38Å; C114-F121 HydrophobicContact CB-CD1 3.87Å; C114-F121 HydrophobicContact CB-CD2 3.55Å; C114-F121 HydrophobicContact CB-CE1 3.73Å; C114-F121 HydrophobicContact CB-CE2 3.41Å; C114-F121 VanDerWaalsContact CB-CE2 3.41Å; C114-F121 HydrophobicContact CB-CG 3.77Å; C114-F121 HydrophobicContact CB-CZ 3.48Å; C114-F121 VanDerWaalsContact CB-CZ 3.48Å; A115-F121 HydrophobicContact CB-CD1 3.8Å; A115-F121 HydrophobicContact CB-CE1 4.33Å; M118-F121 HydrophobicContact CB-CB 3.8Å; M118-F121 WeakPolarHBondContact O-CB 3.42Å; M118-F121 PolarHBondContact O-N 3.08Å; M118-F121 HydrophobicContact SD-CD2 4.49Å; F121-C123 VanDerWaalsContact CE2-C 3.42Å; F121-C123 WeakPolarHBondContact CE2-O 3.25Å; F121-C123 VanDerWaalsContact CZ-C 3.42Å; F121-L124 HydrophobicContact CE2-CD2 4.03Å; F121-L124 HydrophobicContact CZ-CD2 3.94Å; F121-L124 HydrophobicContact CZ-CG 4.1Å; F121-M127 HydrophobicContact CD2-CE 4.23Å; F121-M127 HydrophobicContact CD2-CG 4.17Å; F121-M127 HydrophobicContact CD2-SD 4.24Å; F121-M127 HydrophobicContact CE2-CE 4.16Å; F121-M127 HydrophobicContact CE2-CG 3.82Å; F121-M127 HydrophobicContact CE2-SD 3.66Å
122T79.9Confident80.1Confident104 Ų10453.7 Ų53.764%0.63830%0.3SS*.  trans-95.9-53.5175.645.30000111.1N120 D126N120-T122 PolarHBondContact O-N 3.26Å; T122-D126 PolarHBondContact OG1-OD2 3.48Å
123C79.7Confident79.3Confident33 Ų3355.3 Ų55.322%0.22332%0.317CS..  trans-163.9164.7178.564.40000111.6F121 T125 D126F121-C123 VanDerWaalsContact CE2-C 3.42Å; F121-C123 WeakPolarHBondContact CE2-O 3.25Å; F121-C123 VanDerWaalsContact CZ-C 3.42Å; C123-T125 PolarHBondContact O-N 3.18Å; C123-T125 VanDerWaalsContact O-N 3.16Å; C123-T125 PolarHBondContact SG-OG1 3Å; C123-D126 PolarHBondContact O-N 3.44Å; C123-D126 PolarHBondContact SG-OD1 3.38Å; C123-D126 PolarHBondContact SG-OD2 2.93Å
124L78.4Confident78.8Confident0 Ų059.6 Ų59.60%034%0.344CS..THydrogen-bonded Turntrans-62.9-20.9-179.9-70.9175.7000113.5R107 L110 E111 F121 D126 M127 S147 Y151R107-L124 HydrophobicContact CG-CD1 4.23Å; L110-L124 HydrophobicContact CD2-CD1 3.84Å; L110-L124 HydrophobicContact CD2-CD2 4.23Å; L110-L124 HydrophobicContact CG-CD1 4.23Å; L110-L124 HydrophobicContact CG-CD2 4.19Å; E111-L124 HydrophobicContact CG-CD1 3.7Å; E111-L124 HydrophobicContact CG-CD2 4.49Å; E111-L124 HydrophobicContact CG-CG 3.57Å; F121-L124 HydrophobicContact CE2-CD2 4.03Å; F121-L124 HydrophobicContact CZ-CD2 3.94Å; F121-L124 HydrophobicContact CZ-CG 4.1Å; L124-D126 VanDerWaalsContact C-N 3.33Å; L124-M127 HydrophobicContact CD2-SD 3.55Å; L124-M127 VanDerWaalsContact CD2-SD 3.55Å; L124-S147 WeakPolarHBondContact CD2-OG 3.25Å; L124-Y151 HydrophobicContact CB-CE2 3.99Å; L124-Y151 WeakPolarHBondContact CB-OH 3.39Å
125T72.2Confident78.2Confident37 Ų3760.3 Ų60.323%0.22735%0.348CS..THydrogen-bonded Turntrans-71-32.8-178.452.20000112.2C123 M127 M196C123-T125 PolarHBondContact O-N 3.18Å; C123-T125 VanDerWaalsContact O-N 3.16Å; C123-T125 PolarHBondContact SG-OG1 3Å; T125-M127 VanDerWaalsContact C-N 3.28Å; T125-M127 PolarHBondContact O-N 3.1Å; T125-M196 HydrophobicContact CG2-CE 4Å; T125-M196 HydrophobicContact CG2-CG 4.19Å; T125-M196 HydrophobicContact CG2-SD 4.4Å; T125-M196 WeakPolarHBondContact O-CE 3.25Å
126D76Confident77.9Confident75 Ų7563.2 Ų63.240%0.40136%0.36SS..G310 helixtrans-85.2-6.9-172.2-50.9-16.7000111.8T122 C123 L124 F128T122-D126 PolarHBondContact OG1-OD2 3.48Å; C123-D126 PolarHBondContact O-N 3.44Å; C123-D126 PolarHBondContact SG-OD1 3.38Å; C123-D126 PolarHBondContact SG-OD2 2.93Å; L124-D126 VanDerWaalsContact C-N 3.33Å; D126-F128 VanDerWaalsContact C-N 3.33Å; D126-F128 PolarHBondContact O-N 3.45Å
127M76Confident77.9Confident6 Ų662.6 Ų62.63%0.0336%0.358CS..G310 helixtrans-69.5-26.3-174-65-171.895.900114.1C114 M118 F121 L124 T125 I144C114-M127 HydrophobicContact CB-CE 4.44Å; M118-M127 HydrophobicContact CE-CE 3.62Å; M118-M127 HydrophobicContact SD-CE 3.45Å; M118-M127 WeakPolarHBondContact SD-CE 3.01Å; F121-M127 HydrophobicContact CD2-CE 4.23Å; F121-M127 HydrophobicContact CD2-CG 4.17Å; F121-M127 HydrophobicContact CD2-SD 4.24Å; F121-M127 HydrophobicContact CE2-CE 4.16Å; F121-M127 HydrophobicContact CE2-CG 3.82Å; F121-M127 HydrophobicContact CE2-SD 3.66Å; L124-M127 HydrophobicContact CD2-SD 3.55Å; L124-M127 VanDerWaalsContact CD2-SD 3.55Å; T125-M127 VanDerWaalsContact C-N 3.28Å; T125-M127 PolarHBondContact O-N 3.1Å; M127-I144 HydrophobicContact CB-CG2 4.48Å; M127-I144 HydrophobicContact CE-CB 4.37Å; M127-I144 HydrophobicContact CE-CG1 3.45Å; M127-I144 VanDerWaalsContact CE-CG1 3.45Å
128F75.6Confident78Confident22 Ų2261.7 Ų61.710%0.09635%0.353CS..G310 helixtrans-88.7-4-174.4-52.3-52000113.7D126 I130 I144 A148 Y151 M196 A199 A200 F203D126-F128 VanDerWaalsContact C-N 3.33Å; D126-F128 PolarHBondContact O-N 3.45Å; F128-I130 VanDerWaalsContact C-N 3.32Å; F128-I144 HydrophobicContact CD1-CG2 4.26Å; F128-I144 HydrophobicContact CE1-CG2 4.19Å; F128-A148 HydrophobicContact CD1-CB 4.49Å; F128-A148 HydrophobicContact CE1-CB 3.62Å; F128-A148 HydrophobicContact CZ-CB 4.09Å; F128-Y151 AromaticContact CE2-CD2 3.54Å; F128-Y151 HydrophobicContact CE2-CD2 3.54Å; F128-Y151 AromaticContact CE2-CE2 3.6Å; F128-Y151 HydrophobicContact CE2-CE2 3.6Å; F128-Y151 AromaticContact CZ-CD2 3.65Å; F128-Y151 HydrophobicContact CZ-CD2 3.65Å; F128-Y151 AromaticContact CZ-CE2 3.93Å; F128-Y151 HydrophobicContact CZ-CE2 3.93Å; F128-M196 HydrophobicContact CD2-CE 3.84Å; F128-M196 HydrophobicContact CE2-CE 4.31Å; F128-A199 HydrophobicContact CB-CB 4.21Å; F128-A199 HydrophobicContact CD2-CB 4.32Å; F128-A200 HydrophobicContact CE1-CB 4.43Å; F128-A200 HydrophobicContact CE2-CB 4.11Å; F128-A200 HydrophobicContact CZ-CB 4.05Å; F128-F203 HydrophobicContact CD1-CB 4.26Å; F128-F203 HydrophobicContact CD1-CD2 4.47Å; F128-F203 HydrophobicContact CD1-CG 4.2Å
129D74.7Confident78.2Confident144 Ų14461 Ų6177%0.7735%0.35SS*.G310 helixtrans-83.1-11.7174.5-69.6-22.6000112.4
130I73.3Confident78.8Confident84 Ų8459 Ų5943%0.43133%0.328SS..SBendtrans-80.2127177.8-57.3171.6000109F128 Y132 I135F128-I130 VanDerWaalsContact C-N 3.32Å; I130-Y132 PolarHBondContact O-N 2.81Å; I130-Y132 VanDerWaalsContact O-N 3.16Å; I130-I135 HydrophobicContact CG2-CD1 4.18Å; I130-I135 HydrophobicContact CG2-CG1 4.09Å
131D72.7Confident79.2Confident95 Ų9552.8 Ų52.851%0.50829%0.293SS..  trans-63.6116.7174.1-170-21.8000109.8S133 T134D131-S133 PolarHBondContact O-N 2.94Å; D131-S133 VanDerWaalsContact O-N 3.07Å; D131-S133 PolarHBondContact OD1-N 2.82Å; D131-S133 PolarHBondContact OD1-OG 3.31Å; D131-S133 PolarHBondContact OD2-OG 3Å; D131-T134 HydrophobicContact CB-CG2 4.14Å; D131-T134 WeakPolarHBondContact O-CB 3.42Å; D131-T134 PolarHBondContact O-N 3.08Å; D131-T134 PolarHBondContact O-OG1 3.42Å
132Y75Confident79.5Confident9 Ų951.2 Ų51.24%0.03529%0.286CS..G310 helixtrans-53.3-34.3-174.9177.8-106.9000112.8I130 T134 I135 R141 F203 F207 D210 A213I130-Y132 PolarHBondContact O-N 2.81Å; I130-Y132 VanDerWaalsContact O-N 3.16Å; Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.15Å; Y132-I135 HydrophobicContact CD2-CD1 4.28Å; Y132-I135 PolarHBondContact O-N 3.19Å; Y132-R141 HydrophobicContact CE2-CG 4.12Å; Y132-R141 PolarHBondContact OH-NH1 3.28Å; Y132-F203 HydrophobicContact CD2-CE1 4.17Å; Y132-F203 AromaticContact CD2-CE2 3.79Å; Y132-F203 HydrophobicContact CD2-CE2 3.79Å; Y132-F203 AromaticContact CD2-CZ 3.38Å; Y132-F203 HydrophobicContact CD2-CZ 3.38Å; Y132-F203 HydrophobicContact CE2-CZ 4.08Å; Y132-F203 HydrophobicContact CG-CE2 4.24Å; Y132-F203 HydrophobicContact CG-CZ 4.23Å; Y132-F207 HydrophobicContact CE2-CD2 4.3Å; Y132-F207 AromaticContact CZ-CD2 3.91Å; Y132-F207 WeakPolarHBondContact OH-CD2 3.23Å; Y132-D210 HydrophobicContact CE1-CB 3.76Å; Y132-D210 VanDerWaalsContact CE1-OD2 3.3Å; Y132-D210 WeakPolarHBondContact CE1-OD2 3.48Å; Y132-A213 VanDerWaalsContact OH-CB 3.28Å; Y132-A213 WeakPolarHBondContact OH-CB 3.18Å
133S73.7Confident80Confident81 Ų8146.3 Ų46.357%0.56626%0.256SS*.G310 helixtrans-61-23179.962.90000113.9D131D131-S133 PolarHBondContact O-N 2.94Å; D131-S133 VanDerWaalsContact O-N 3.07Å; D131-S133 PolarHBondContact OD1-N 2.82Å; D131-S133 PolarHBondContact OD1-OG 3.31Å; D131-S133 PolarHBondContact OD2-OG 3Å
134T78.6Confident80.4Confident91 Ų9144.9 Ų44.956%0.55825%0.246SC*.G310 helixtrans-83.1-14.5-177.764.60000113.7D131 Y132 T136D131-T134 HydrophobicContact CB-CG2 4.14Å; D131-T134 WeakPolarHBondContact O-CB 3.42Å; D131-T134 PolarHBondContact O-N 3.08Å; D131-T134 PolarHBondContact O-OG1 3.42Å; Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.15Å; T134-T136 PolarHBondContact O-N 3Å
135I78.4Confident80.9Confident15 Ų1544.9 Ų44.98%0.07725%0.246CC..  trans-88112.3-173.9-53.9160000108.4I130 Y132 R141 I144I130-I135 HydrophobicContact CG2-CD1 4.18Å; I130-I135 HydrophobicContact CG2-CG1 4.09Å; Y132-I135 HydrophobicContact CD2-CD1 4.28Å; Y132-I135 PolarHBondContact O-N 3.19Å; I135-R141 HydrophobicContact CB-CG 4.23Å; I135-R141 HydrophobicContact CG2-CG 3.72Å; I135-R141 PolarHBondContact O-NE 2.83Å; I135-R141 PolarHBondContact O-NH2 3.43Å; I135-I144 HydrophobicContact CD1-CD1 3.36Å; I135-I144 HydrophobicContact CG1-CD1 4.4Å
136T80.4Confident81.7Confident114 Ų11443.2 Ų43.270%0.69924%0.236SC*.  trans-99-18.3179.851.80000113.6T134 F214T134-T136 PolarHBondContact O-N 3Å; T136-F214 WeakPolarHBondContact O-CE1 3.38Å; T136-F214 VanDerWaalsContact O-CZ 3.24Å; T136-F214 WeakPolarHBondContact O-CZ 3.29Å
137D86.1Confident82.3Confident65 Ų6539.7 Ų39.735%0.34822%0.217SC..  trans-81.2124-178.3-175.8-63.8000111.4L139 Y140 R141D137-L139 VanDerWaalsContact C-N 3.32Å; D137-L139 PolarHBondContact O-N 2.87Å; D137-L139 WeakPolarHBondContact OD1-CA 3.35Å; D137-L139 VanDerWaalsContact OD1-CB 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.15Å; D137-L139 PolarHBondContact OD1-N 3.49Å; D137-Y140 HydrophobicContact CB-CD1 4.11Å; D137-Y140 HydrophobicContact CB-CD2 4.31Å; D137-Y140 HydrophobicContact CB-CG 3.88Å; D137-Y140 PolarHBondContact O-N 3.49Å; D137-Y140 WeakPolarHBondContact OD1-CD1 3.38Å; D137-Y140 PolarHBondContact OD1-N 3.21Å; D137-R141 WeakPolarHBondContact O-CG 3.45Å; D137-R141 PolarHBondContact O-N 2.74Å
138G87Confident82.9Confident1 Ų139.4 Ų39.41%0.0122%0.216CC..Hα-helixtrans-67.8-27.6-176.500000114.4F142 F214 L216G138-F142 PolarHBondContact O-N 3.39Å; G138-F214 WeakPolarHBondContact CA-O 3.34Å; G138-L216 PolarHBondContact O-N 3.46Å
139L88.6Confident83.6Confident5 Ų538.6 Ų38.63%0.02621%0.212CC..Hα-helixtrans-74.7-39.3174.5179.762.4000109.8V117 D137 F142 L143 L216 P218 F235 P237V117-L139 HydrophobicContact CB-CD2 4.43Å; V117-L139 HydrophobicContact CG1-CD2 3.46Å; V117-L139 VanDerWaalsContact CG1-CD2 3.46Å; V117-L139 HydrophobicContact CG1-CG 3.84Å; V117-L139 HydrophobicContact CG2-CD2 4.04Å; D137-L139 VanDerWaalsContact C-N 3.32Å; D137-L139 PolarHBondContact O-N 2.87Å; D137-L139 WeakPolarHBondContact OD1-CA 3.35Å; D137-L139 VanDerWaalsContact OD1-CB 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.15Å; D137-L139 PolarHBondContact OD1-N 3.49Å; L139-F142 PolarHBondContact O-N 3.43Å; L139-L143 HydrophobicContact CG-CD1 4.39Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.35Å; L139-L216 HydrophobicContact CB-CB 4.09Å; L139-L216 HydrophobicContact CB-CD1 4.48Å; L139-P218 HydrophobicContact CD1-CB 4.25Å; L139-P218 HydrophobicContact CD1-CG 4.01Å; L139-F235 HydrophobicContact CD2-CE1 3.91Å; L139-F235 HydrophobicContact CD2-CZ 4.1Å; L139-P237 HydrophobicContact CD2-CB 4.34Å
140Y87.9Confident84.3Confident69 Ų6931.9 Ų31.927%0.27118%0.176SC..Hα-helixtrans-65.2-43.4178.1-7526000110.9V117 M118 P119 D137 F142 L143 I144V117-Y140 HydrophobicContact CG1-CD1 3.74Å; V117-Y140 HydrophobicContact CG1-CE1 3.44Å; V117-Y140 VanDerWaalsContact CG1-CE1 3.44Å; V117-Y140 WeakPolarHBondContact O-CE1 3.36Å; V117-Y140 PolarHBondContact O-OH 3.3Å; M118-Y140 HydrophobicContact CE-CD1 4.43Å; M118-Y140 HydrophobicContact CE-CD2 4.5Å; M118-Y140 HydrophobicContact CE-CG 4.05Å; M118-Y140 HydrophobicContact CG-CD1 4.22Å; M118-Y140 HydrophobicContact CG-CD2 4.22Å; M118-Y140 HydrophobicContact CG-CE1 4.11Å; M118-Y140 HydrophobicContact CG-CE2 4.11Å; M118-Y140 HydrophobicContact CG-CG 4.27Å; P119-Y140 WeakPolarHBondContact CD-OH 3.48Å; D137-Y140 HydrophobicContact CB-CD1 4.11Å; D137-Y140 HydrophobicContact CB-CD2 4.31Å; D137-Y140 HydrophobicContact CB-CG 3.88Å; D137-Y140 PolarHBondContact O-N 3.49Å; D137-Y140 WeakPolarHBondContact OD1-CD1 3.38Å; D137-Y140 PolarHBondContact OD1-N 3.21Å; Y140-F142 VanDerWaalsContact C-N 3.35Å; Y140-F142 PolarHBondContact O-N 3.28Å; Y140-L143 PolarHBondContact O-N 3.23Å; Y140-I144 WeakPolarHBondContact O-CG1 3.48Å; Y140-I144 PolarHBondContact O-N 3.03Å; Y140-I144 VanDerWaalsContact O-N 3.11Å
141R87Confident85Confident22 Ų2227.9 Ų27.98%0.08316%0.155CC..Hα-helixtrans-56.5-48.6173-73.1-179.6176.3-127.30.5111.3Y132 I135 D137 L143 I144 V145 D210 A213 L215Y132-R141 HydrophobicContact CE2-CG 4.12Å; Y132-R141 PolarHBondContact OH-NH1 3.28Å; I135-R141 HydrophobicContact CB-CG 4.23Å; I135-R141 HydrophobicContact CG2-CG 3.72Å; I135-R141 PolarHBondContact O-NE 2.83Å; I135-R141 PolarHBondContact O-NH2 3.43Å; D137-R141 WeakPolarHBondContact O-CG 3.45Å; D137-R141 PolarHBondContact O-N 2.74Å; R141-L143 PolarHBondContact O-N 3.45Å; R141-I144 PolarHBondContact O-N 2.81Å; R141-V145 WeakPolarHBondContact O-CB 3.09Å; R141-V145 VanDerWaalsContact O-CG2 3.26Å; R141-V145 WeakPolarHBondContact O-CG2 3.01Å; R141-V145 PolarHBondContact O-N 3.32Å; R141-D210 IonicContact CZ-OD2 2.69Å; R141-D210 IonicContact NH1-OD2 2.74Å; R141-D210 PolarHBondContact NH1-OD2 3.08Å; R141-D210 IonicContact NH2-OD2 3.57Å; R141-A213 VanDerWaalsContact NH1-CB 3.29Å; R141-L215 HydrophobicContact CB-CD2 3.58Å
142F88.8Confident85.7Confident4 Ų423.3 Ų23.32%0.01813%0.131CC..Hα-helixtrans-58.4-46.1178.6173.4-99.4000112.1W92 G138 L139 Y140 I144 V145 L146 L215 L216 L217 P218W92-F142 HydrophobicContact CB-CZ 4.06Å; W92-F142 HydrophobicContact CG-CE1 4.29Å; W92-F142 HydrophobicContact CG-CZ 4.07Å; G138-F142 PolarHBondContact O-N 3.39Å; L139-F142 PolarHBondContact O-N 3.43Å; Y140-F142 VanDerWaalsContact C-N 3.35Å; Y140-F142 PolarHBondContact O-N 3.28Å; F142-I144 PolarHBondContact O-N 3.27Å; F142-V145 PolarHBondContact O-N 3.31Å; F142-L146 HydrophobicContact CE1-CB 4.46Å; F142-L146 HydrophobicContact CE1-CD2 3.93Å; F142-L146 HydrophobicContact CZ-CB 4.44Å; F142-L146 HydrophobicContact CZ-CD1 4.41Å; F142-L146 HydrophobicContact CZ-CD2 4.13Å; F142-L146 VanDerWaalsContact O-CB 3.3Å; F142-L146 WeakPolarHBondContact O-CB 3.28Å; F142-L146 PolarHBondContact O-N 3.37Å; F142-L215 HydrophobicContact CB-CD2 4.33Å; F142-L216 VanDerWaalsContact CB-O 3.29Å; F142-L216 WeakPolarHBondContact CB-O 3.27Å; F142-L216 WeakPolarHBondContact CG-O 3.32Å; F142-L217 HydrophobicContact CD2-CD1 4.44Å; F142-L217 HydrophobicContact CE1-CD1 4.02Å; F142-L217 HydrophobicContact CE2-CD1 3.61Å; F142-L217 HydrophobicContact CZ-CD1 3.36Å; F142-P218 HydrophobicContact CD1-CG 4.47Å; F142-P218 HydrophobicContact CE1-CG 4.22Å
143L89.5Confident86.1Confident0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-65-38.8-177.8-70.4176.2000113.2L113 V117 M118 L139 Y140 R141 S147L113-L143 HydrophobicContact CD2-CD2 3.3Å; L113-L143 HydrophobicContact CG-CD2 3.67Å; V117-L143 HydrophobicContact CB-CD1 3.68Å; V117-L143 HydrophobicContact CG1-CD1 3.6Å; V117-L143 HydrophobicContact CG2-CD1 4.01Å; M118-L143 HydrophobicContact CE-CB 3.67Å; M118-L143 HydrophobicContact CE-CD1 3.97Å; M118-L143 HydrophobicContact CE-CG 4.46Å; L139-L143 HydrophobicContact CG-CD1 4.39Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.35Å; Y140-L143 PolarHBondContact O-N 3.23Å; R141-L143 PolarHBondContact O-N 3.45Å; L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 3.44Å; L143-S147 PolarHBondContact O-OG 3.49Å
144I87.8Confident86.5Confident4 Ų419.4 Ų19.42%0.02110%0.104CC..Hα-helixtrans-71.7-40.5177.7-59.1158.5000110.2M118 M127 F128 I135 Y140 R141 F142 S147 A148 F203M118-I144 HydrophobicContact CE-CD1 4.22Å; M118-I144 HydrophobicContact CE-CG1 3.91Å; M127-I144 HydrophobicContact CB-CG2 4.48Å; M127-I144 HydrophobicContact CE-CB 4.37Å; M127-I144 HydrophobicContact CE-CG1 3.45Å; M127-I144 VanDerWaalsContact CE-CG1 3.45Å; F128-I144 HydrophobicContact CD1-CG2 4.26Å; F128-I144 HydrophobicContact CE1-CG2 4.19Å; I135-I144 HydrophobicContact CD1-CD1 3.36Å; I135-I144 HydrophobicContact CG1-CD1 4.4Å; Y140-I144 WeakPolarHBondContact O-CG1 3.48Å; Y140-I144 PolarHBondContact O-N 3.03Å; Y140-I144 VanDerWaalsContact O-N 3.11Å; R141-I144 PolarHBondContact O-N 2.81Å; F142-I144 PolarHBondContact O-N 3.27Å; I144-S147 PolarHBondContact O-N 2.96Å; I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 3.03Å; I144-F203 HydrophobicContact CB-CE1 4.17Å; I144-F203 HydrophobicContact CB-CZ 3.87Å; I144-F203 HydrophobicContact CG2-CD1 4.19Å; I144-F203 HydrophobicContact CG2-CD2 4.41Å; I144-F203 HydrophobicContact CG2-CE1 3.46Å; I144-F203 VanDerWaalsContact CG2-CE1 3.46Å; I144-F203 HydrophobicContact CG2-CE2 3.7Å; I144-F203 HydrophobicContact CG2-CZ 3.15Å
145V89Confident86.5Confident0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-61.4-45.3174171.40000111R141 F142 S147 A148 R149 F203 L204 F207R141-V145 WeakPolarHBondContact O-CB 3.09Å; R141-V145 VanDerWaalsContact O-CG2 3.26Å; R141-V145 WeakPolarHBondContact O-CG2 3.01Å; R141-V145 PolarHBondContact O-N 3.32Å; F142-V145 PolarHBondContact O-N 3.31Å; V145-S147 VanDerWaalsContact C-N 3.28Å; V145-S147 PolarHBondContact O-N 3.38Å; V145-A148 PolarHBondContact O-N 3.15Å; V145-R149 HydrophobicContact CG1-CG 4.4Å; V145-R149 WeakPolarHBondContact O-CB 3.49Å; V145-R149 VanDerWaalsContact O-CG 3.25Å; V145-R149 WeakPolarHBondContact O-CG 3.41Å; V145-R149 PolarHBondContact O-N 3.44Å; V145-F203 HydrophobicContact CG2-CE1 4.14Å; V145-L204 HydrophobicContact CG1-CD2 4.09Å; V145-F207 HydrophobicContact CG1-CD1 4.29Å; V145-F207 HydrophobicContact CG1-CE1 4.14Å; V145-F207 HydrophobicContact CG1-CZ 4.36Å; V145-F207 HydrophobicContact CG2-CB 4.35Å; V145-F207 HydrophobicContact CG2-CD1 4.24Å; V145-F207 HydrophobicContact CG2-CD2 3.53Å; V145-F207 HydrophobicContact CG2-CE1 4.49Å; V145-F207 HydrophobicContact CG2-CE2 3.85Å; V145-F207 HydrophobicContact CG2-CG 3.76Å; V145-F207 HydrophobicContact CG2-CZ 4.33Å
146L89.6Confident86.4Confident2 Ų215.2 Ų15.21%0.018%0.079CC..Hα-helixtrans-59.2-41.5176.1-176.166.9000111.3W92 L94 L110 F142 R149 W150W92-L146 HydrophobicContact CB-CD1 4.06Å; W92-L146 HydrophobicContact CB-CD2 4.15Å; W92-L146 HydrophobicContact CD2-CD2 4.19Å; W92-L146 HydrophobicContact CE3-CD2 3.93Å; W92-L146 HydrophobicContact CG-CD2 4.28Å; L94-L146 HydrophobicContact CD1-CD1 4.32Å; L94-L146 HydrophobicContact CD2-CD1 3.66Å; L94-L146 HydrophobicContact CD2-CG 4.33Å; L94-L146 HydrophobicContact CG-CD1 3.99Å; L110-L146 HydrophobicContact CD1-CD2 3.69Å; L110-L146 HydrophobicContact CD1-CG 4.06Å; F142-L146 HydrophobicContact CE1-CB 4.46Å; F142-L146 HydrophobicContact CE1-CD2 3.93Å; F142-L146 HydrophobicContact CZ-CB 4.44Å; F142-L146 HydrophobicContact CZ-CD1 4.41Å; F142-L146 HydrophobicContact CZ-CD2 4.13Å; F142-L146 VanDerWaalsContact O-CB 3.3Å; F142-L146 WeakPolarHBondContact O-CB 3.28Å; F142-L146 PolarHBondContact O-N 3.37Å; L146-R149 PolarHBondContact O-N 3.48Å; L146-W150 WeakPolarHBondContact O-CB 2.99Å; L146-W150 PolarHBondContact O-N 3.45Å
147S89Confident85.9Confident0 Ų012.5 Ų12.50%06%0.056CC..Hα-helixtrans-67.4-42.9178-58.50000112.8L124 L143 I144 V145 W150 Y151L124-S147 WeakPolarHBondContact CD2-OG 3.25Å; L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 3.44Å; L143-S147 PolarHBondContact O-OG 3.49Å; I144-S147 PolarHBondContact O-N 2.96Å; V145-S147 VanDerWaalsContact C-N 3.28Å; V145-S147 PolarHBondContact O-N 3.38Å; S147-W150 PolarHBondContact O-N 2.96Å; S147-Y151 WeakPolarHBondContact O-CD2 3.26Å; S147-Y151 PolarHBondContact O-N 3Å
148A89Confident84.8Confident0 Ų011.9 Ų11.90%05%0.05CC..Hα-helixtrans-61.9-46.7175.100000111.1F128 I144 V145 W150 Y151 I152 A200 F203 L204F128-A148 HydrophobicContact CD1-CB 4.49Å; F128-A148 HydrophobicContact CE1-CB 3.62Å; F128-A148 HydrophobicContact CZ-CB 4.09Å; I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 3.03Å; V145-A148 PolarHBondContact O-N 3.15Å; A148-W150 VanDerWaalsContact C-N 3.31Å; A148-W150 PolarHBondContact O-N 3.31Å; A148-Y151 PolarHBondContact O-N 3.27Å; A148-I152 WeakPolarHBondContact O-CG1 3.42Å; A148-I152 PolarHBondContact O-N 3.18Å; A148-A200 HydrophobicContact CB-CB 3.95Å; A148-F203 HydrophobicContact CB-CD1 4.06Å; A148-L204 HydrophobicContact CB-CD1 4.39Å; A148-L204 HydrophobicContact CB-CD2 3.69Å; A148-L204 HydrophobicContact CB-CG 3.77Å
149R89.7Confident83.5Confident5 Ų512.5 Ų12.52%0.0195%0.054CC..Hα-helixtrans-59.9-39.6175.7-70.6175.563.3-153.2-12.2112.1L94 V145 L146 I152 F153 L204 D255L94-R149 HydrophobicContact CD1-CB 3.54Å; V145-R149 HydrophobicContact CG1-CG 4.4Å; V145-R149 WeakPolarHBondContact O-CB 3.49Å; V145-R149 VanDerWaalsContact O-CG 3.25Å; V145-R149 WeakPolarHBondContact O-CG 3.41Å; V145-R149 PolarHBondContact O-N 3.44Å; L146-R149 PolarHBondContact O-N 3.48Å; R149-I152 PolarHBondContact O-N 3.02Å; R149-F153 WeakPolarHBondContact O-CB 3.45Å; R149-F153 PolarHBondContact O-N 3.32Å; R149-L204 HydrophobicContact CG-CD1 3.81Å; R149-L204 HydrophobicContact CG-CD2 4.05Å; R149-D255 IonicContact CZ-OD2 3.78Å; R149-D255 IonicContact NE-OD2 2.67Å; R149-D255 PolarHBondContact NE-OD2 2.95Å; R149-D255 IonicContact NH2-OD2 3.94Å; R149-D255 PolarHBondContact NH2-OD2 2.9Å
150W89Confident81.7Confident3 Ų317.1 Ų17.11%0.0118%0.077CC..Hα-helixtrans-62.1-44.5177.5-179.187.5000112.7L94 V103 S106 R107 L110 L146 S147 A148 I152 F153 L154L94-W150 HydrophobicContact CD1-CB 4.33Å; L94-W150 HydrophobicContact CD2-CB 4.09Å; L94-W150 HydrophobicContact CD2-CG 4.49Å; V103-W150 HydrophobicContact CG1-CZ2 4.37Å; S106-W150 PolarHBondContact OG-NE1 2.67Å; R107-W150 HydrophobicContact CB-CH2 3.56Å; R107-W150 HydrophobicContact CB-CZ2 3.46Å; R107-W150 VanDerWaalsContact CB-CZ2 3.46Å; R107-W150 HydrophobicContact CG-CH2 3.66Å; R107-W150 HydrophobicContact CG-CZ2 4.07Å; R107-W150 HydrophobicContact CG-CZ3 4.39Å; L110-W150 HydrophobicContact CD2-CB 4.05Å; L110-W150 HydrophobicContact CD2-CD2 4.23Å; L110-W150 HydrophobicContact CD2-CG 4.01Å; L146-W150 WeakPolarHBondContact O-CB 2.99Å; L146-W150 PolarHBondContact O-N 3.45Å; S147-W150 PolarHBondContact O-N 2.96Å; A148-W150 VanDerWaalsContact C-N 3.31Å; A148-W150 PolarHBondContact O-N 3.31Å; W150-I152 PolarHBondContact O-N 3.36Å; W150-F153 PolarHBondContact O-N 3.48Å; W150-L154 HydrophobicContact CD2-CD1 3.84Å; W150-L154 HydrophobicContact CD2-CG 4.29Å; W150-L154 HydrophobicContact CE3-CD1 3.83Å; W150-L154 HydrophobicContact CH2-CD1 3.23Å; W150-L154 HydrophobicContact CZ2-CD1 3.25Å; W150-L154 HydrophobicContact CZ2-CG 4.22Å; W150-L154 HydrophobicContact CZ3-CD1 3.53Å; W150-L154 WeakPolarHBondContact O-CG 3.26Å; W150-L154 PolarHBondContact O-N 3.47Å
151Y87.4Confident79.6Confident0 Ų019.2 Ų19.20%010%0.1CC..Hα-helixtrans-61.7-44.5176.4-84.7-72.8000112.5L124 F128 S147 A148 L154 N155 V193 M196L124-Y151 HydrophobicContact CB-CE2 3.99Å; L124-Y151 WeakPolarHBondContact CB-OH 3.39Å; F128-Y151 AromaticContact CE2-CD2 3.54Å; F128-Y151 HydrophobicContact CE2-CD2 3.54Å; F128-Y151 AromaticContact CE2-CE2 3.6Å; F128-Y151 HydrophobicContact CE2-CE2 3.6Å; F128-Y151 AromaticContact CZ-CD2 3.65Å; F128-Y151 HydrophobicContact CZ-CD2 3.65Å; F128-Y151 AromaticContact CZ-CE2 3.93Å; F128-Y151 HydrophobicContact CZ-CE2 3.93Å; S147-Y151 WeakPolarHBondContact O-CD2 3.26Å; S147-Y151 PolarHBondContact O-N 3Å; A148-Y151 PolarHBondContact O-N 3.27Å; Y151-L154 PolarHBondContact O-N 3.32Å; Y151-N155 PolarHBondContact O-N 2.96Å; Y151-N155 VanDerWaalsContact O-N 3.12Å; Y151-V193 HydrophobicContact CD1-CG1 4.48Å; Y151-V193 HydrophobicContact CD1-CG2 4.38Å; Y151-V193 HydrophobicContact CE1-CG2 4.43Å; Y151-M196 HydrophobicContact CD1-CB 3.68Å; Y151-M196 HydrophobicContact CE1-CB 3.65Å; Y151-M196 HydrophobicContact CE1-CG 4.06Å; Y151-M196 HydrophobicContact CE2-CB 4.47Å; Y151-M196 HydrophobicContact CG-CB 4.14Å
152I87.6Confident77.5Confident0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-64.8-45.4179.4-66.2-175.6000110.9A148 R149 W150 L154 N155 S156 A200 L204 D255 L256 H259A148-I152 WeakPolarHBondContact O-CG1 3.42Å; A148-I152 PolarHBondContact O-N 3.18Å; R149-I152 PolarHBondContact O-N 3.02Å; W150-I152 PolarHBondContact O-N 3.36Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.06Å; I152-N155 PolarHBondContact O-N 3.43Å; I152-S156 PolarHBondContact O-N 3.39Å; I152-S156 VanDerWaalsContact O-N 3.1Å; I152-S156 PolarHBondContact O-OG 3.17Å; I152-A200 HydrophobicContact CD1-CB 4.39Å; I152-A200 HydrophobicContact CG1-CB 4.06Å; I152-L204 HydrophobicContact CD1-CD1 3.44Å; I152-L204 VanDerWaalsContact CD1-CD1 3.44Å; I152-L204 HydrophobicContact CD1-CG 4.25Å; I152-D255 HydrophobicContact CG2-CB 4.27Å; I152-D255 VanDerWaalsContact CG2-O 3.28Å; I152-D255 WeakPolarHBondContact CG2-O 3.47Å; I152-L256 HydrophobicContact CD1-CD2 3.87Å; I152-L256 HydrophobicContact CD1-CG 4.49Å; I152-H259 HydrophobicContact CG2-CB 3.35Å
153F84.5Confident75.1Confident2 Ų233.5 Ų33.51%0.00917%0.168CC..Hα-helixtrans-59.5-41.3177.4177.9-90.9000112.6F95 C98 R149 W150 S156 R157 Y158 Y292F95-F153 HydrophobicContact CB-CE2 4.19Å; F95-F153 HydrophobicContact CB-CZ 4.18Å; F95-F153 HydrophobicContact CD2-CE2 4.41Å; F95-F153 HydrophobicContact CD2-CZ 4.34Å; C98-F153 HydrophobicContact CB-CD1 4.42Å; C98-F153 HydrophobicContact CB-CE1 3.73Å; R149-F153 WeakPolarHBondContact O-CB 3.45Å; R149-F153 PolarHBondContact O-N 3.32Å; W150-F153 PolarHBondContact O-N 3.48Å; F153-S156 PolarHBondContact O-OG 2.91Å; F153-R157 PolarHBondContact O-N 2.84Å; F153-Y158 HydrophobicContact CE1-CE2 4.28Å; F153-Y292 HydrophobicContact CD2-CE2 4.13Å; F153-Y292 AromaticContact CD2-CZ 3.88Å; F153-Y292 WeakPolarHBondContact CD2-OH 3.3Å; F153-Y292 HydrophobicContact CE2-CE2 4.08Å
154L81.1Confident72.9Confident6 Ų639 Ų393%0.03120%0.201CC..Hα-helixtrans-65.7-44.4176.6-76.8-176.3000112.4V103 W150 Y151 I152 S156 R157 Y158 V193V103-L154 HydrophobicContact CB-CD2 4.29Å; V103-L154 HydrophobicContact CG1-CD1 3.79Å; V103-L154 HydrophobicContact CG1-CD2 3.88Å; V103-L154 HydrophobicContact CG2-CD2 3.7Å; W150-L154 HydrophobicContact CD2-CD1 3.84Å; W150-L154 HydrophobicContact CD2-CG 4.29Å; W150-L154 HydrophobicContact CE3-CD1 3.83Å; W150-L154 HydrophobicContact CH2-CD1 3.23Å; W150-L154 HydrophobicContact CZ2-CD1 3.25Å; W150-L154 HydrophobicContact CZ2-CG 4.22Å; W150-L154 HydrophobicContact CZ3-CD1 3.53Å; W150-L154 WeakPolarHBondContact O-CG 3.26Å; W150-L154 PolarHBondContact O-N 3.47Å; Y151-L154 PolarHBondContact O-N 3.32Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.06Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.47Å; L154-R157 PolarHBondContact O-N 3.3Å; L154-Y158 HydrophobicContact CD2-CD2 3.67Å; L154-Y158 HydrophobicContact CD2-CE2 4.15Å; L154-Y158 HydrophobicContact CD2-CG 4.32Å; L154-Y158 PolarHBondContact O-N 3.46Å; L154-V193 HydrophobicContact CB-CG1 4.1Å; L154-V193 HydrophobicContact CD1-CG2 4.46Å
155N80.2Confident70.7Confident4 Ų446.1 Ų46.12%0.02124%0.24CC..Hα-helixtrans-63.4-41.1-177.7-167.333000111.5Y151 I152 C159 V193 A197 H259 F262Y151-N155 PolarHBondContact O-N 2.96Å; Y151-N155 VanDerWaalsContact O-N 3.12Å; I152-N155 PolarHBondContact O-N 3.43Å; N155-C159 WeakPolarHBondContact O-CB 3.48Å; N155-V193 HydrophobicContact CB-CG1 4.15Å; N155-A197 HydrophobicContact CB-CB 3.96Å; N155-H259 PolarHBondContact ND2-CE1 3.31Å; N155-F262 WeakPolarHBondContact O-CE1 3.26Å; N155-F262 WeakPolarHBondContact O-CZ 3.41Å
156S75.7Confident68.4Low13 Ų1351.8 Ų51.89%0.09127%0.274CS..Hα-helixtrans-71.9-27.9-179.163.80000114.3I152 F153 L154I152-S156 PolarHBondContact O-N 3.39Å; I152-S156 VanDerWaalsContact O-N 3.1Å; I152-S156 PolarHBondContact O-OG 3.17Å; F153-S156 PolarHBondContact O-OG 2.91Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.47Å
157R69.9Low65.9Low57 Ų5756 Ų5622%0.21530%0.304CS..Hα-helixtrans-111.3-39.2-172.3-76.7173.3162.2-128.58.2116.2F95 F153 L154F95-R157 VanDerWaalsContact CE2-CZ 3.48Å; F153-R157 PolarHBondContact O-N 2.84Å; L154-R157 PolarHBondContact O-N 3.3Å
158Y63.2Low63.5Low53 Ų5363.7 Ų63.721%0.20834%0.344CS..Hα-helixtrans-95-2.3-172.1-77.5-87000113.6C98 V103 F153 L154 I160 L162C98-Y158 HydrophobicContact CB-CE2 4.3Å; C98-Y158 PolarHBondContact O-OH 2.89Å; V103-Y158 HydrophobicContact CG2-CD1 3.85Å; V103-Y158 HydrophobicContact CG2-CD2 4.22Å; V103-Y158 HydrophobicContact CG2-CE1 4.01Å; V103-Y158 HydrophobicContact CG2-CE2 4.37Å; V103-Y158 HydrophobicContact CG2-CG 3.95Å; F153-Y158 HydrophobicContact CE1-CE2 4.28Å; L154-Y158 HydrophobicContact CD2-CD2 3.67Å; L154-Y158 HydrophobicContact CD2-CE2 4.15Å; L154-Y158 HydrophobicContact CD2-CG 4.32Å; L154-Y158 PolarHBondContact O-N 3.46Å; Y158-I160 VanDerWaalsContact C-N 3.33Å; Y158-L162 HydrophobicContact CD1-CD1 4.23Å
159C59.8Low61.3Low14 Ų1469.4 Ų69.410%0.09537%0.374CS..THydrogen-bonded Turntrans-83-5.4169.1-75.70000113.9N155 F262N155-C159 WeakPolarHBondContact O-CB 3.48Å; C159-F262 HydrophobicContact CB-CE1 4.41Å; C159-F262 HydrophobicContact CB-CE2 4.41Å; C159-F262 HydrophobicContact CB-CZ 3.66Å
160I51.2Low58.7Low101 Ų10175.2 Ų75.252%0.51841%0.412SS..SBendtrans-71.6132.5170.4-56.5173.6000107.8Y158 L162Y158-I160 VanDerWaalsContact C-N 3.33Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 3.26Å
161P43.7Very low56.2Low114 Ų11481.3 Ų81.374%0.7444%0.44SS*.  trans-62.494.8176.525.3-31.9000109.1F163P161-F163 PolarHBondContact O-N 3.43Å
162L41.3Very low53.9Low125 Ų12585.7 Ų85.765%0.65448%0.477SS*.  trans-55.4115166.1-77.8162.3000106Y158 I160 T164Y158-L162 HydrophobicContact CD1-CD1 4.23Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 3.26Å; L162-T164 PolarHBondContact O-N 3.23Å
163F39.7Very low51.6Low201 Ų20190.3 Ų90.388%0.88251%0.509SS*.  trans-48107.9167.8-76.1-87.1000106.9P161 N165P161-F163 PolarHBondContact O-N 3.43Å; F163-N165 PolarHBondContact O-N 2.9Å
164T42Very low49.3Very low115 Ų11593.5 Ų93.571%0.70653%0.528SS*.  trans-60.1117.4175.649.20000106.3L162 T166L162-T164 PolarHBondContact O-N 3.23Å; T164-T166 VanDerWaalsContact C-N 3.32Å; T164-T166 PolarHBondContact O-N 3.41Å
165N43.3Very low46.9Very low154 Ų154101.8 Ų101.882%0.82457%0.567SS**  trans-54.2103.4170.5-90.9-22.1000107.1F163 S167F163-N165 PolarHBondContact O-N 2.9Å; N165-S167 PolarHBondContact O-N 3.29Å
166T39.1Very low44.6Very low119 Ų119105.7 Ų105.773%0.7359%0.594SS**  trans-7182.6176.616.20000106.9T164 L168T164-T166 VanDerWaalsContact C-N 3.32Å; T164-T166 PolarHBondContact O-N 3.41Å; T166-L168 VanDerWaalsContact C-N 3.3Å; T166-L168 PolarHBondContact O-N 3.26Å
167S38Very low42.8Very low90 Ų90111.7 Ų111.763%0.62962%0.623SS**  trans-68.994166.832.80000107.7N165 I169N165-S167 PolarHBondContact O-N 3.29Å; S167-I169 PolarHBondContact O-N 2.52Å
168L39.2Very low41.3Very low161 Ų161112.7 Ų112.784%0.84364%0.638SS**  trans-68.617.9178.9-88.7148.6000114.5T166T166-L168 VanDerWaalsContact C-N 3.3Å; T166-L168 PolarHBondContact O-N 3.26Å
169I41.5Very low40.2Very low121 Ų121116.4 Ų116.462%0.62166%0.655SS**  trans-122.5109-178.9-50.9177.3000108.6S167 Q171S167-I169 PolarHBondContact O-N 2.52Å; I169-Q171 HydrophobicContact CG2-CG 4.05Å; I169-Q171 PolarHBondContact O-N 3.05Å
170P34.9Very low39.2Very low126 Ų126122.9 Ų122.982%0.81869%0.688SS**  trans-71.284.8169.929.1-29.3000108.3
171Q36.9Very low39Very low131 Ų131121.2 Ų121.261%0.61268%0.683SS**  trans-72.8138164.6-75-171.2-19.500109I169 S173 V174I169-Q171 HydrophobicContact CG2-CG 4.05Å; I169-Q171 PolarHBondContact O-N 3.05Å; Q171-S173 PolarHBondContact O-N 2.86Å; Q171-V174 WeakPolarHBondContact O-CG2 3.24Å; Q171-V174 PolarHBondContact O-N 3.39Å
172A39.8Very low39.2Very low92 Ų92118.7 Ų118.776%0.7667%0.672SS**G310 helixtrans-57.5-11.9-174.700000115V174A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.45Å
173S38.5Very low39.5Very low97 Ų97118.2 Ų118.268%0.67867%0.669SS**G310 helixtrans-76.9-8.7172.553.80000114.5Q171Q171-S173 PolarHBondContact O-N 2.86Å
174V36.5Very low40Very low69 Ų69111.5 Ų111.542%0.41865%0.647SS.*G310 helixtrans-92.15.5-176.7-171.50000112.8Q171 A172 C176 K179Q171-V174 WeakPolarHBondContact O-CG2 3.24Å; Q171-V174 PolarHBondContact O-N 3.39Å; A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.45Å; V174-C176 VanDerWaalsContact C-N 3.26Å; V174-C176 PolarHBondContact O-N 3.41Å; V174-K179 HydrophobicContact CG1-CD 3.98Å
175Q31.8Very low40.6Very low181 Ų181109 Ų10985%0.84663%0.631SS**  trans-79.15178.7-80-174.4-19.600115.4
176C31.3Very low41.2Very low86 Ų86105.7 Ų105.758%0.58161%0.61SS**SBendtrans-94.8137.2178.4-130.40000111.1V174 C178V174-C176 VanDerWaalsContact C-N 3.26Å; V174-C176 PolarHBondContact O-N 3.41Å; C176-C178 PolarHBondContact O-N 2.91Å
177I37.3Very low42.2Very low138 Ų138103.6 Ų103.671%0.70860%0.597SS**THydrogen-bonded Turntrans-42-7.3175.1-67.8153.1000115.4K179 T181I177-K179 PolarHBondContact O-N 3.3Å; I177-T181 PolarHBondContact O-N 3.43Å; I177-T181 PolarHBondContact O-OG1 3.48Å
178C39.2Very low43.4Very low79 Ų79107.2 Ų107.253%0.53460%0.601SS.*Hα-helixtrans-59.8-33.4-178.5-59.40000116C176 T181 A182C176-C178 PolarHBondContact O-N 2.91Å; C178-T181 WeakPolarHBondContact CA-OG1 3.29Å; C178-T181 PolarHBondContact O-OG1 3.16Å; C178-A182 WeakPolarHBondContact O-CB 3.13Å; C178-A182 PolarHBondContact O-N 3.5Å
179K38.8Very low44.5Very low130 Ų130101.4 Ų101.457%0.56557%0.57SS**Hα-helixtrans-75.8-38.9-179.5-82.7-171.9178.5-179.60113.5V174 I177 L183V174-K179 HydrophobicContact CG1-CD 3.98Å; I177-K179 PolarHBondContact O-N 3.3Å; K179-L183 PolarHBondContact O-N 3.26Å; K179-L183 VanDerWaalsContact O-N 3.13Å
180L38.3Very low45.6Very low151 Ų151100.7 Ų100.779%0.79156%0.559SS**Hα-helixtrans-68.5-36173.4-91.1149.5000111.4S184L180-S184 WeakPolarHBondContact O-CB 3.36Å; L180-S184 PolarHBondContact O-N 3.17Å; L180-S184 VanDerWaalsContact O-N 3.07Å; L180-S184 PolarHBondContact O-OG 3.41Å
181T47.6Very low47.1Very low65 Ų65100.1 Ų100.140%0.39955%0.549SS..Hα-helixtrans-68.9-44.3173.430.20000111.9I177 C178 L183 S184 V185I177-T181 PolarHBondContact O-N 3.43Å; I177-T181 PolarHBondContact O-OG1 3.48Å; C178-T181 WeakPolarHBondContact CA-OG1 3.29Å; C178-T181 PolarHBondContact O-OG1 3.16Å; T181-L183 PolarHBondContact O-N 2.78Å; T181-S184 WeakPolarHBondContact CA-OG 3.32Å; T181-S184 PolarHBondContact O-N 2.99Å; T181-S184 PolarHBondContact O-OG 2.9Å; T181-V185 WeakPolarHBondContact O-CB 3.3Å; T181-V185 WeakPolarHBondContact O-CG2 3.45Å; T181-V185 PolarHBondContact O-N 3.38Å
182A47.4Very low48.6Very low61 Ų6195.9 Ų95.950%0.50453%0.534SS..Hα-helixtrans-60-42.1177.500000112.8C178 V185 F186C178-A182 WeakPolarHBondContact O-CB 3.13Å; C178-A182 PolarHBondContact O-N 3.5Å; A182-V185 PolarHBondContact O-N 3.3Å; A182-F186 VanDerWaalsContact O-CB 3.26Å; A182-F186 WeakPolarHBondContact O-CB 3.37Å; A182-F186 PolarHBondContact O-N 2.94Å
183L48Very low50.2Low115 Ų11592.1 Ų92.160%0.60250%0.501SS*.Hα-helixtrans-68-41176.7-125.2148.4000111.7K179 T181 F186 V187K179-L183 PolarHBondContact O-N 3.26Å; K179-L183 VanDerWaalsContact O-N 3.13Å; T181-L183 PolarHBondContact O-N 2.78Å; L183-F186 PolarHBondContact O-N 3.23Å; L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.27Å; L183-V187 PolarHBondContact O-N 3.24Å
184S50.8Low51.8Low60 Ų6090.9 Ų90.942%0.4249%0.485SS..Hα-helixtrans-66.6-35.5175.4740000113.2L180 T181 K188L180-S184 WeakPolarHBondContact O-CB 3.36Å; L180-S184 PolarHBondContact O-N 3.17Å; L180-S184 VanDerWaalsContact O-N 3.07Å; L180-S184 PolarHBondContact O-OG 3.41Å; T181-S184 WeakPolarHBondContact CA-OG 3.32Å; T181-S184 PolarHBondContact O-N 2.99Å; T181-S184 PolarHBondContact O-OG 2.9Å; S184-K188 PolarHBondContact O-N 3.45Å
185V54.7Low53.7Low62 Ų6290.7 Ų90.738%0.37649%0.491SS..Hα-helixtrans-69.1-42.7175169.90000109.7T181 A182 K188 Q189T181-V185 WeakPolarHBondContact O-CB 3.3Å; T181-V185 WeakPolarHBondContact O-CG2 3.45Å; T181-V185 PolarHBondContact O-N 3.38Å; A182-V185 PolarHBondContact O-N 3.3Å; V185-K188 PolarHBondContact O-N 3.31Å; V185-Q189 HydrophobicContact CG1-CG 4.44Å; V185-Q189 WeakPolarHBondContact O-CB 3.4Å; V185-Q189 VanDerWaalsContact O-CG 3.29Å; V185-Q189 WeakPolarHBondContact O-CG 3.42Å; V185-Q189 PolarHBondContact O-N 3.46Å
186F55.1Low56.1Low86 Ų8683.7 Ų83.738%0.37746%0.458SS..Hα-helixtrans-61.9-43.5175.5-173.3-97.3000112A182 L183 Q189 R190A182-F186 VanDerWaalsContact O-CB 3.26Å; A182-F186 WeakPolarHBondContact O-CB 3.37Å; A182-F186 PolarHBondContact O-N 2.94Å; L183-F186 PolarHBondContact O-N 3.23Å; F186-Q189 PolarHBondContact O-N 3.42Å; F186-R190 WeakPolarHBondContact O-CB 3.33Å; F186-R190 PolarHBondContact O-N 2.92Å
187V60.7Low58.6Low75 Ų7579.6 Ų79.646%0.45543%0.431SS..Hα-helixtrans-65.1-42.7176.4172.30000111.9L183 R190 L191L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.27Å; L183-V187 PolarHBondContact O-N 3.24Å; V187-R190 WeakPolarHBondContact O-CB 3.48Å; V187-R190 PolarHBondContact O-N 3.38Å; V187-L191 PolarHBondContact O-N 2.93Å
188K63.2Low60.8Low165 Ų16576.4 Ų76.472%0.71742%0.418SS*.Hα-helixtrans-63.7-40.6174.7-81.6-174.4176.6-1770112.3S184 V185 R190 S192S184-K188 PolarHBondContact O-N 3.45Å; V185-K188 PolarHBondContact O-N 3.31Å; K188-R190 VanDerWaalsContact C-N 3.33Å; K188-S192 PolarHBondContact O-N 3.36Å
189Q61.8Low62.9Low40 Ų4074.3 Ų74.319%0.18741%0.406CS..Hα-helixtrans-67.1-35.1176.1-76.5179.8-11.800112M104 V185 F186 S192 V193M104-Q189 PolarHBondContact SD-NE2 3.4Å; M104-Q189 PolarHBondContact SD-OE1 2.92Å; V185-Q189 HydrophobicContact CG1-CG 4.44Å; V185-Q189 WeakPolarHBondContact O-CB 3.4Å; V185-Q189 VanDerWaalsContact O-CG 3.29Å; V185-Q189 WeakPolarHBondContact O-CG 3.42Å; V185-Q189 PolarHBondContact O-N 3.46Å; F186-Q189 PolarHBondContact O-N 3.42Å; Q189-S192 WeakPolarHBondContact O-CB 3.26Å; Q189-S192 PolarHBondContact O-N 3.25Å; Q189-V193 VanDerWaalsContact O-CG2 3.26Å; Q189-V193 WeakPolarHBondContact O-CG2 3.33Å; Q189-V193 PolarHBondContact O-N 3.44Å
190R64.9Low65.3Low106 Ų10668.1 Ų68.140%0.438%0.379SS..Hα-helixtrans-59.5-49.6176.7-177.7-179.5170.9152.54.4112.6F186 V187 K188 S192 V193 E194F186-R190 WeakPolarHBondContact O-CB 3.33Å; F186-R190 PolarHBondContact O-N 2.92Å; V187-R190 WeakPolarHBondContact O-CB 3.48Å; V187-R190 PolarHBondContact O-N 3.38Å; K188-R190 VanDerWaalsContact C-N 3.33Å; R190-S192 VanDerWaalsContact C-N 3.26Å; R190-S192 PolarHBondContact O-N 3.12Å; R190-V193 PolarHBondContact O-N 3.07Å; R190-V193 VanDerWaalsContact O-N 3.09Å; R190-E194 IonicContact CZ-OE1 3.06Å; R190-E194 IonicContact NE-OE1 2.8Å; R190-E194 PolarHBondContact NE-OE1 3.37Å; R190-E194 VanDerWaalsContact NE-OE1 3.1Å; R190-E194 IonicContact NH2-OE1 3.89Å; R190-E194 PolarHBondContact O-N 2.85Å
191L66.2Low67.6Low114 Ų11461.2 Ų61.260%0.59734%0.344SS*.Hα-helixtrans-61.5-36.8177.7-71169.9000112V187 A195V187-L191 PolarHBondContact O-N 2.93Å; L191-A195 PolarHBondContact O-N 2.89Å
192S69Low69.5Low42 Ų4264.8 Ų64.829%0.29435%0.354SS..Hα-helixtrans-64.6-43.2172.6159.40000111.8K188 Q189 R190 M196K188-S192 PolarHBondContact O-N 3.36Å; Q189-S192 WeakPolarHBondContact O-CB 3.26Å; Q189-S192 PolarHBondContact O-N 3.25Å; R190-S192 VanDerWaalsContact C-N 3.26Å; R190-S192 PolarHBondContact O-N 3.12Å; S192-M196 WeakPolarHBondContact O-CG 3.08Å; S192-M196 PolarHBondContact O-N 2.92Å; S192-M196 VanDerWaalsContact O-N 3.16Å
193V72.8Confident71.4Confident13 Ų1362.2 Ų62.28%0.07933%0.331CS..Hα-helixtrans-66.7-40-179.8169.50000111.5Y151 L154 N155 Q189 R190 M196 A197Y151-V193 HydrophobicContact CD1-CG1 4.48Å; Y151-V193 HydrophobicContact CD1-CG2 4.38Å; Y151-V193 HydrophobicContact CE1-CG2 4.43Å; L154-V193 HydrophobicContact CB-CG1 4.1Å; L154-V193 HydrophobicContact CD1-CG2 4.46Å; N155-V193 HydrophobicContact CB-CG1 4.15Å; Q189-V193 VanDerWaalsContact O-CG2 3.26Å; Q189-V193 WeakPolarHBondContact O-CG2 3.33Å; Q189-V193 PolarHBondContact O-N 3.44Å; R190-V193 PolarHBondContact O-N 3.07Å; R190-V193 VanDerWaalsContact O-N 3.09Å; V193-M196 PolarHBondContact O-N 2.97Å; V193-A197 WeakPolarHBondContact O-CB 3.13Å; V193-A197 PolarHBondContact O-N 3.08Å
194E73Confident73.3Confident70 Ų7056.7 Ų56.733%0.32730%0.303SS..Hα-helixtrans-61-47.4177.7-75.3172.7-16900111.8R190 M196 A197R190-E194 IonicContact CZ-OE1 3.06Å; R190-E194 IonicContact NE-OE1 2.8Å; R190-E194 PolarHBondContact NE-OE1 3.37Å; R190-E194 VanDerWaalsContact NE-OE1 3.1Å; R190-E194 IonicContact NH2-OE1 3.89Å; R190-E194 PolarHBondContact O-N 2.85Å; E194-M196 VanDerWaalsContact C-N 3.35Å; E194-M196 PolarHBondContact O-N 3.28Å; E194-A197 PolarHBondContact O-N 3.22Å
195A75Confident75Confident66 Ų6657 Ų5755%0.54530%0.299SS..Hα-helixtrans-63.6-39.5177.700000112.6L191L191-A195 PolarHBondContact O-N 2.89Å
196M82.5Confident76.5Confident34 Ų3458.6 Ų58.617%0.16730%0.302CS..Hα-helixtrans-77.5-26.1-178.9-62.2-44.7-83.400113.3T125 F128 Y151 S192 V193 E194 T198 A199 A200T125-M196 HydrophobicContact CG2-CE 4Å; T125-M196 HydrophobicContact CG2-CG 4.19Å; T125-M196 HydrophobicContact CG2-SD 4.4Å; T125-M196 WeakPolarHBondContact O-CE 3.25Å; F128-M196 HydrophobicContact CD2-CE 3.84Å; F128-M196 HydrophobicContact CE2-CE 4.31Å; Y151-M196 HydrophobicContact CD1-CB 3.68Å; Y151-M196 HydrophobicContact CE1-CB 3.65Å; Y151-M196 HydrophobicContact CE1-CG 4.06Å; Y151-M196 HydrophobicContact CE2-CB 4.47Å; Y151-M196 HydrophobicContact CG-CB 4.14Å; S192-M196 WeakPolarHBondContact O-CG 3.08Å; S192-M196 PolarHBondContact O-N 2.92Å; S192-M196 VanDerWaalsContact O-N 3.16Å; V193-M196 PolarHBondContact O-N 2.97Å; E194-M196 VanDerWaalsContact C-N 3.35Å; E194-M196 PolarHBondContact O-N 3.28Å; M196-T198 VanDerWaalsContact C-N 3.27Å; M196-T198 PolarHBondContact O-N 2.93Å; M196-A199 PolarHBondContact O-N 3Å; M196-A200 VanDerWaalsContact O-CB 3.27Å; M196-A200 WeakPolarHBondContact O-CB 3.32Å; M196-A200 PolarHBondContact O-N 3.47Å
197A83.7Confident78.1Confident0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-60.7-37.9175.400000111.7N155 V193 E194 G201N155-A197 HydrophobicContact CB-CB 3.96Å; V193-A197 WeakPolarHBondContact O-CB 3.13Å; V193-A197 PolarHBondContact O-N 3.08Å; E194-A197 PolarHBondContact O-N 3.22Å; A197-G201 PolarHBondContact O-N 3Å
198T83.7Confident79.3Confident71 Ų7151.6 Ų51.644%0.43627%0.267SS..Hα-helixtrans-65.8-42.4175.8-51.50000112.3M196 G201 K202M196-T198 VanDerWaalsContact C-N 3.27Å; M196-T198 PolarHBondContact O-N 2.93Å; T198-G201 PolarHBondContact O-N 2.97Å; T198-K202 PolarHBondContact O-N 3.35Å
199A84.9Confident80.3Confident35 Ų3551.1 Ų51.129%0.28927%0.268SS..Hα-helixtrans-66.5-45.8176.900000111.4F128 M196 G201 K202 F203F128-A199 HydrophobicContact CB-CB 4.21Å; F128-A199 HydrophobicContact CD2-CB 4.32Å; M196-A199 PolarHBondContact O-N 3Å; A199-G201 VanDerWaalsContact C-N 3.31Å; A199-G201 PolarHBondContact O-N 3.01Å; A199-K202 PolarHBondContact O-N 2.99Å; A199-F203 PolarHBondContact O-N 2.88Å
200A88.5Confident81.2Confident0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-58.8-40.7174.500000112.2F128 A148 I152 M196 F203 L204F128-A200 HydrophobicContact CE1-CB 4.43Å; F128-A200 HydrophobicContact CE2-CB 4.11Å; F128-A200 HydrophobicContact CZ-CB 4.05Å; A148-A200 HydrophobicContact CB-CB 3.95Å; I152-A200 HydrophobicContact CD1-CB 4.39Å; I152-A200 HydrophobicContact CG1-CB 4.06Å; M196-A200 VanDerWaalsContact O-CB 3.27Å; M196-A200 WeakPolarHBondContact O-CB 3.32Å; M196-A200 PolarHBondContact O-N 3.47Å; A200-F203 PolarHBondContact O-N 3.42Å; A200-L204 WeakPolarHBondContact O-CG 3.26Å; A200-L204 PolarHBondContact O-N 3.4Å
201G87.4Confident81.6Confident5 Ų550.9 Ų50.95%0.05228%0.284CS..Hα-helixtrans-60.6-46.4176.500000112.7A197 T198 A199 F203 L204 L205A197-G201 PolarHBondContact O-N 3Å; T198-G201 PolarHBondContact O-N 2.97Å; A199-G201 VanDerWaalsContact C-N 3.31Å; A199-G201 PolarHBondContact O-N 3.01Å; G201-F203 VanDerWaalsContact C-N 3.33Å; G201-F203 PolarHBondContact O-N 3.49Å; G201-L204 PolarHBondContact O-N 2.72Å; G201-L205 WeakPolarHBondContact O-CG 3.4Å; G201-L205 PolarHBondContact O-N 3.19Å
202K85.4Confident81.8Confident141 Ų14149.8 Ų49.861%0.61329%0.286SS*.Hα-helixtrans-61.1-42.1174.9-70.6178.1-178.8178.20112.1T198 A199 L205 Q206T198-K202 PolarHBondContact O-N 3.35Å; A199-K202 PolarHBondContact O-N 2.99Å; K202-L205 PolarHBondContact O-N 3.25Å; K202-Q206 PolarHBondContact O-N 3.2Å
203F87.5Confident81.9Confident6 Ų648.1 Ų48.13%0.02627%0.274CS..Hα-helixtrans-63.6-44.4177.7-177.2-86.5000111.8F128 Y132 I144 V145 A148 A199 A200 G201 L205 Q206 F207F128-F203 HydrophobicContact CD1-CB 4.26Å; F128-F203 HydrophobicContact CD1-CD2 4.47Å; F128-F203 HydrophobicContact CD1-CG 4.2Å; Y132-F203 HydrophobicContact CD2-CE1 4.17Å; Y132-F203 AromaticContact CD2-CE2 3.79Å; Y132-F203 HydrophobicContact CD2-CE2 3.79Å; Y132-F203 AromaticContact CD2-CZ 3.38Å; Y132-F203 HydrophobicContact CD2-CZ 3.38Å; Y132-F203 HydrophobicContact CE2-CZ 4.08Å; Y132-F203 HydrophobicContact CG-CE2 4.24Å; Y132-F203 HydrophobicContact CG-CZ 4.23Å; I144-F203 HydrophobicContact CB-CE1 4.17Å; I144-F203 HydrophobicContact CB-CZ 3.87Å; I144-F203 HydrophobicContact CG2-CD1 4.19Å; I144-F203 HydrophobicContact CG2-CD2 4.41Å; I144-F203 HydrophobicContact CG2-CE1 3.46Å; I144-F203 VanDerWaalsContact CG2-CE1 3.46Å; I144-F203 HydrophobicContact CG2-CE2 3.7Å; I144-F203 HydrophobicContact CG2-CZ 3.15Å; V145-F203 HydrophobicContact CG2-CE1 4.14Å; A148-F203 HydrophobicContact CB-CD1 4.06Å; A199-F203 PolarHBondContact O-N 2.88Å; A200-F203 PolarHBondContact O-N 3.42Å; G201-F203 VanDerWaalsContact C-N 3.33Å; G201-F203 PolarHBondContact O-N 3.49Å; F203-L205 VanDerWaalsContact C-N 3.3Å; F203-L205 PolarHBondContact O-N 2.74Å; F203-Q206 WeakPolarHBondContact O-CB 3.27Å; F203-Q206 PolarHBondContact O-N 2.91Å; F203-F207 PolarHBondContact O-N 2.94Å
204L88.6Confident82.3Confident0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-64.8-33.2176.8-71.9-171.8000112.9V145 A148 R149 I152 A200 G201 F207 C208 A252 L256V145-L204 HydrophobicContact CG1-CD2 4.09Å; A148-L204 HydrophobicContact CB-CD1 4.39Å; A148-L204 HydrophobicContact CB-CD2 3.69Å; A148-L204 HydrophobicContact CB-CG 3.77Å; R149-L204 HydrophobicContact CG-CD1 3.81Å; R149-L204 HydrophobicContact CG-CD2 4.05Å; I152-L204 HydrophobicContact CD1-CD1 3.44Å; I152-L204 VanDerWaalsContact CD1-CD1 3.44Å; I152-L204 HydrophobicContact CD1-CG 4.25Å; A200-L204 WeakPolarHBondContact O-CG 3.26Å; A200-L204 PolarHBondContact O-N 3.4Å; G201-L204 PolarHBondContact O-N 2.72Å; L204-F207 WeakPolarHBondContact O-CB 3.43Å; L204-F207 PolarHBondContact O-N 3.38Å; L204-C208 WeakPolarHBondContact O-CB 3.49Å; L204-C208 PolarHBondContact O-N 3.07Å; L204-C208 PolarHBondContact O-SG 3.33Å; L204-A252 HydrophobicContact CD1-CB 4.28Å; L204-A252 HydrophobicContact CD2-CB 4.2Å; L204-L256 HydrophobicContact CB-CD1 3.91Å; L204-L256 HydrophobicContact CB-CD2 4.3Å; L204-L256 HydrophobicContact CB-CG 4.22Å; L204-L256 HydrophobicContact CD1-CG 4.29Å
205L87.5Confident82.9Confident67 Ų6748.8 Ų48.835%0.35128%0.276SS..Hα-helixtrans-62.4-42.3172.8-73.2172.3000111.8G201 K202 F203 C208 Q209 L256G201-L205 WeakPolarHBondContact O-CG 3.4Å; G201-L205 PolarHBondContact O-N 3.19Å; K202-L205 PolarHBondContact O-N 3.25Å; F203-L205 VanDerWaalsContact C-N 3.3Å; F203-L205 PolarHBondContact O-N 2.74Å; L205-C208 PolarHBondContact O-N 2.81Å; L205-Q209 WeakPolarHBondContact O-CG 3.22Å; L205-Q209 PolarHBondContact O-N 3.38Å; L205-L256 HydrophobicContact CD2-CD1 4.07Å; L205-L256 HydrophobicContact CG-CD1 4.37Å
206Q85.5Confident83.6Confident94 Ų9447.9 Ų47.944%0.43926%0.261SS..Hα-helixtrans-63.6-43.9174.2-68.6177.6-21.400111.4K202 F203 C208 Q209 D210K202-Q206 PolarHBondContact O-N 3.2Å; F203-Q206 WeakPolarHBondContact O-CB 3.27Å; F203-Q206 PolarHBondContact O-N 2.91Å; Q206-C208 VanDerWaalsContact C-N 3.34Å; Q206-C208 PolarHBondContact O-N 3.42Å; Q206-Q209 PolarHBondContact O-N 3.01Å; Q206-D210 PolarHBondContact O-N 2.66Å
207F87.4Confident83.8Confident0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-56.8-46.7174.9167.6-105.7000111.7Y132 V145 F203 L204 Q209 D210 L215 Y245 Q248 A252Y132-F207 HydrophobicContact CE2-CD2 4.3Å; Y132-F207 AromaticContact CZ-CD2 3.91Å; Y132-F207 WeakPolarHBondContact OH-CD2 3.23Å; V145-F207 HydrophobicContact CG1-CD1 4.29Å; V145-F207 HydrophobicContact CG1-CE1 4.14Å; V145-F207 HydrophobicContact CG1-CZ 4.36Å; V145-F207 HydrophobicContact CG2-CB 4.35Å; V145-F207 HydrophobicContact CG2-CD1 4.24Å; V145-F207 HydrophobicContact CG2-CD2 3.53Å; V145-F207 HydrophobicContact CG2-CE1 4.49Å; V145-F207 HydrophobicContact CG2-CE2 3.85Å; V145-F207 HydrophobicContact CG2-CG 3.76Å; V145-F207 HydrophobicContact CG2-CZ 4.33Å; F203-F207 PolarHBondContact O-N 2.94Å; L204-F207 WeakPolarHBondContact O-CB 3.43Å; L204-F207 PolarHBondContact O-N 3.38Å; F207-Q209 PolarHBondContact O-N 3.44Å; F207-Q209 VanDerWaalsContact O-N 3.12Å; F207-D210 PolarHBondContact O-N 3.16Å; F207-D210 VanDerWaalsContact O-N 3.16Å; F207-L215 HydrophobicContact CE2-CD1 3.97Å; F207-L215 HydrophobicContact CE2-CD2 4.33Å; F207-L215 HydrophobicContact CZ-CD1 3.89Å; F207-Y245 HydrophobicContact CD2-CE2 4.28Å; F207-Y245 HydrophobicContact CE1-CE2 4.45Å; F207-Y245 AromaticContact CE2-CD2 3.96Å; F207-Y245 HydrophobicContact CE2-CD2 3.96Å; F207-Y245 AromaticContact CE2-CE2 3.66Å; F207-Y245 HydrophobicContact CE2-CE2 3.66Å; F207-Y245 AromaticContact CZ-CD2 3.96Å; F207-Y245 HydrophobicContact CZ-CD2 3.96Å; F207-Y245 AromaticContact CZ-CE2 3.75Å; F207-Y245 HydrophobicContact CZ-CE2 3.75Å; F207-Y245 PolarHBondContact O-OH 2.94Å; F207-Q248 HydrophobicContact CE1-CB 4.32Å; F207-Q248 HydrophobicContact CZ-CB 3.93Å; F207-A252 HydrophobicContact CD1-CB 4.08Å; F207-A252 HydrophobicContact CE1-CB 4.14Å
208C86.6Confident84.1Confident14 Ų1446.8 Ų46.810%0.09526%0.256CS..Hα-helixtrans-64-16.1-179.4-74.10000114.5L204 L205 Q206 Y245 R249L204-C208 WeakPolarHBondContact O-CB 3.49Å; L204-C208 PolarHBondContact O-N 3.07Å; L204-C208 PolarHBondContact O-SG 3.33Å; L205-C208 PolarHBondContact O-N 2.81Å; Q206-C208 VanDerWaalsContact C-N 3.34Å; Q206-C208 PolarHBondContact O-N 3.42Å; C208-Y245 PolarHBondContact O-OH 2.99Å; C208-R249 HydrophobicContact CB-CG 4.39Å; C208-R249 PolarHBondContact O-NE 2.88Å
209Q84.5Confident84.2Confident156 Ų15643.7 Ų43.773%0.72924%0.239SC*.Hα-helixtrans-92.6-20.2178.2-68.8171.9-0.800113.1L205 Q206 F207 S211L205-Q209 WeakPolarHBondContact O-CG 3.22Å; L205-Q209 PolarHBondContact O-N 3.38Å; Q206-Q209 PolarHBondContact O-N 3.01Å; F207-Q209 PolarHBondContact O-N 3.44Å; F207-Q209 VanDerWaalsContact O-N 3.12Å; Q209-S211 PolarHBondContact O-N 2.91Å
210D80.6Confident84.3Confident35 Ų3544.7 Ų44.719%0.18724%0.238CC..  trans-91.487.3-176.2-178.414.4000112.5Y132 R141 Q206 F207 S212 A213 Y245Y132-D210 HydrophobicContact CE1-CB 3.76Å; Y132-D210 VanDerWaalsContact CE1-OD2 3.3Å; Y132-D210 WeakPolarHBondContact CE1-OD2 3.48Å; R141-D210 IonicContact CZ-OD2 2.69Å; R141-D210 IonicContact NH1-OD2 2.74Å; R141-D210 PolarHBondContact NH1-OD2 3.08Å; R141-D210 IonicContact NH2-OD2 3.57Å; Q206-D210 PolarHBondContact O-N 2.66Å; F207-D210 PolarHBondContact O-N 3.16Å; F207-D210 VanDerWaalsContact O-N 3.16Å; D210-S212 PolarHBondContact O-N 3.17Å; D210-S212 VanDerWaalsContact O-N 3.07Å; D210-S212 WeakPolarHBondContact OD1-CB 3.28Å; D210-S212 PolarHBondContact OD1-N 3.37Å; D210-S212 PolarHBondContact OD1-OG 3.22Å; D210-A213 PolarHBondContact O-N 2.91Å; D210-Y245 VanDerWaalsContact C-OH 3.31Å; D210-Y245 WeakPolarHBondContact O-CE2 3.4Å; D210-Y245 PolarHBondContact O-OH 3.03Å; D210-Y245 VanDerWaalsContact O-OH 3.1Å
211S73.2Confident84.1Confident106 Ų10647.7 Ų47.774%0.74126%0.26SS*.THydrogen-bonded Turntrans-65.2-5.9176.355.40000115Q209Q209-S211 PolarHBondContact O-N 2.91Å
212S70.5Confident84.2Confident91 Ų9147.5 Ų47.564%0.63626%0.257SS*.THydrogen-bonded Turntrans-94.2-2.4-178.874.60000114.2D210 F214D210-S212 PolarHBondContact O-N 3.17Å; D210-S212 VanDerWaalsContact O-N 3.07Å; D210-S212 WeakPolarHBondContact OD1-CB 3.28Å; D210-S212 PolarHBondContact OD1-N 3.37Å; D210-S212 PolarHBondContact OD1-OG 3.22Å; S212-F214 PolarHBondContact O-N 3.46Å
213A70.2Confident84.3Confident6 Ų641.2 Ų41.25%0.0523%0.23CC..  trans-72.7118.2-17500000112.4Y132 R141 D210 Y245Y132-A213 VanDerWaalsContact OH-CB 3.28Å; Y132-A213 WeakPolarHBondContact OH-CB 3.18Å; R141-A213 VanDerWaalsContact NH1-CB 3.29Å; D210-A213 PolarHBondContact O-N 2.91Å; A213-Y245 HydrophobicContact CB-CD2 3.81Å; A213-Y245 HydrophobicContact CB-CE2 3.95Å
214F82.2Confident84.2Confident98 Ų9845.8 Ų45.843%0.4325%0.25SC..  trans-90.4144.8161.172.7-84.6000109.5T136 G138 S212T136-F214 WeakPolarHBondContact O-CE1 3.38Å; T136-F214 VanDerWaalsContact O-CZ 3.24Å; T136-F214 WeakPolarHBondContact O-CZ 3.29Å; G138-F214 WeakPolarHBondContact CA-O 3.34Å; S212-F214 PolarHBondContact O-N 3.46Å
215L85.9Confident84Confident0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-128.5136.7-176-64.5174.3000109.6R141 F142 F207 I243 Q248R141-L215 HydrophobicContact CB-CD2 3.58Å; F142-L215 HydrophobicContact CB-CD2 4.33Å; F207-L215 HydrophobicContact CE2-CD1 3.97Å; F207-L215 HydrophobicContact CE2-CD2 4.33Å; F207-L215 HydrophobicContact CZ-CD1 3.89Å; L215-I243 HydrophobicContact CB-CG2 3.43Å; L215-I243 VanDerWaalsContact CB-CG2 3.43Å; L215-I243 HydrophobicContact CD1-CG2 4.27Å; L215-I243 PolarHBondContact O-N 3.4Å; L215-I243 VanDerWaalsContact O-N 3.09Å; L215-Q248 HydrophobicContact CD1-CB 3.69Å; L215-Q248 HydrophobicContact CD1-CG 3.69Å
216L89.4Confident83.4Confident46 Ų4648.3 Ų48.324%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-111.9124.4176.3-64.8175.1000109.6G138 L139 F142 C240 Q242G138-L216 PolarHBondContact O-N 3.46Å; L139-L216 HydrophobicContact CB-CB 4.09Å; L139-L216 HydrophobicContact CB-CD1 4.48Å; F142-L216 VanDerWaalsContact CB-O 3.29Å; F142-L216 WeakPolarHBondContact CB-O 3.27Å; F142-L216 WeakPolarHBondContact CG-O 3.32Å; L216-C240 HydrophobicContact CB-CB 3.89Å; L216-Q242 HydrophobicContact CD2-CB 4.45Å
217L87Confident82.4Confident10 Ų1049.5 Ų49.55%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-96.8120.4-179.8-178.578.7000109.5W92 F142 G219 C240 D241 I243 H290W92-L217 HydrophobicContact CG-CD1 4.48Å; F142-L217 HydrophobicContact CD2-CD1 4.44Å; F142-L217 HydrophobicContact CE1-CD1 4.02Å; F142-L217 HydrophobicContact CE2-CD1 3.61Å; F142-L217 HydrophobicContact CZ-CD1 3.36Å; L217-G219 PolarHBondContact O-N 3.38Å; L217-G219 VanDerWaalsContact O-N 3.14Å; L217-C240 WeakPolarHBondContact O-CA 3.17Å; L217-C240 WeakPolarHBondContact O-CB 3.29Å; L217-D241 PolarHBondContact N-O 2.88Å; L217-D241 PolarHBondContact O-N 3Å; L217-I243 HydrophobicContact CB-CB 4.45Å; L217-H290 WeakPolarHBondContact CD2-CE1 3.24Å
218P88.8Confident81.1Confident1 Ų153.9 Ų53.91%0.00632%0.317CS..  trans-74.7107.3175.226.6-27.7000110.3W92 L113 L139 F142 F235W92-P218 HydrophobicContact CZ2-CG 4.13Å; W92-P218 PolarHBondContact NE1-O 2.81Å; L113-P218 HydrophobicContact CD2-CG 4.48Å; L139-P218 HydrophobicContact CD1-CB 4.25Å; L139-P218 HydrophobicContact CD1-CG 4.01Å; F142-P218 HydrophobicContact CD1-CG 4.47Å; F142-P218 HydrophobicContact CE1-CG 4.22Å; P218-F235 HydrophobicContact CB-CE2 4.1Å; P218-F235 HydrophobicContact CB-CZ 4.03Å
219G86.4Confident80.1Confident7 Ų756.1 Ų56.17%0.07233%0.327CS..  trans-84.9-179176.500000113.2L217 S221 C222L217-G219 PolarHBondContact O-N 3.38Å; L217-G219 VanDerWaalsContact O-N 3.14Å; G219-S221 PolarHBondContact O-N 3.48Å; G219-C222 WeakPolarHBondContact O-CB 3.36Å; G219-C222 PolarHBondContact O-N 2.72Å
220I86.5Confident79.2Confident55 Ų5554.6 Ų54.628%0.28232%0.32SS..G310 helixtrans-58.1-33.6174.7-62.3178.9000111.1Y85 A88 H89 C222 F223Y85-I220 HydrophobicContact CD2-CG2 3.91Å; Y85-I220 HydrophobicContact CE1-CG2 4.33Å; Y85-I220 HydrophobicContact CE2-CB 4.2Å; Y85-I220 HydrophobicContact CE2-CG2 3.12Å; Y85-I220 WeakPolarHBondContact CE2-O 3.44Å; Y85-I220 VanDerWaalsContact OH-CG2 3.29Å; Y85-I220 WeakPolarHBondContact OH-CG2 3.48Å; A88-I220 HydrophobicContact CB-CG1 4.34Å; H89-I220 HydrophobicContact CB-CD1 3.69Å; H89-I220 HydrophobicContact CB-CG1 4.14Å; I220-C222 PolarHBondContact O-N 3.42Å; I220-F223 PolarHBondContact O-N 2.8Å
221S85.3Confident78.8Confident64 Ų6453.8 Ų53.845%0.44832%0.316SS..G310 helixtrans-61.7-25.4178.545.30000114.3G219 F223 A239G219-S221 PolarHBondContact O-N 3.48Å; S221-F223 PolarHBondContact O-N 3.43Å; S221-A239 PolarHBondContact OG-O 2.77Å; S221-A239 VanDerWaalsContact OG-O 3.07Å
222C88.4Confident79Confident0 Ų051.2 Ų51.20%030%0.296CS..G310 helixtrans-69.5-21.8-179.5-61.70000112.9G219 I220 F235 D236 A239G219-C222 WeakPolarHBondContact O-CB 3.36Å; G219-C222 PolarHBondContact O-N 2.72Å; I220-C222 PolarHBondContact O-N 3.42Å; C222-F235 HydrophobicContact CB-CD2 4.02Å; C222-F235 HydrophobicContact CB-CE2 3.58Å; C222-F235 HydrophobicContact CB-CZ 4.13Å; C222-F235 CarbonylContact O-C 3.31Å; C222-F235 WeakPolarHBondContact O-CA 3.26Å; C222-D236 PolarHBondContact O-N 2.9Å; C222-A239 VanDerWaalsContact SG-C 3.56Å
223F87.9Confident79.5Confident9 Ų948.4 Ų48.44%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-99.5107.7-176.4-59.5-86.5000110.6A81 L84 Y85 A88 L113 M116 I220 S221 F225 F235A81-F223 HydrophobicContact CB-CD1 4.42Å; L84-F223 HydrophobicContact CB-CE1 3.62Å; L84-F223 HydrophobicContact CB-CZ 3.62Å; L84-F223 HydrophobicContact CD1-CE1 4.03Å; L84-F223 HydrophobicContact CD1-CZ 4.46Å; L84-F223 HydrophobicContact CG-CE1 4.47Å; Y85-F223 HydrophobicContact CD2-CB 3.85Å; Y85-F223 HydrophobicContact CD2-CD2 4.17Å; Y85-F223 HydrophobicContact CD2-CG 4.26Å; Y85-F223 HydrophobicContact CE2-CB 4.45Å; A88-F223 HydrophobicContact CB-CD2 4.5Å; A88-F223 HydrophobicContact CB-CE2 3.91Å; L113-F223 HydrophobicContact CD1-CZ 4.36Å; M116-F223 HydrophobicContact SD-CE1 4.26Å; I220-F223 PolarHBondContact O-N 2.8Å; S221-F223 PolarHBondContact O-N 3.43Å; F223-F225 HydrophobicContact CB-CE2 3.93Å; F223-F225 HydrophobicContact CB-CZ 4.4Å; F223-F235 HydrophobicContact CD1-CD2 4.22Å; F223-F235 AromaticContact CE1-CD2 3.88Å; F223-F235 HydrophobicContact CE1-CD2 3.88Å; F223-F235 HydrophobicContact CE1-CE2 4.26Å; F223-F235 HydrophobicContact CE2-CE2 4.48Å; F223-F235 HydrophobicContact CZ-CD2 4.15Å; F223-F235 HydrophobicContact CZ-CE2 4.05Å
224K86.1Confident80.1Confident103 Ų10351.2 Ų51.245%0.44829%0.294SS..EExtended strand (participates in β ladder)trans-104.2111.6179.3-65.4-177.8-173.5172.40110.3V233 S234 D236K224-V233 WeakPolarHBondContact O-CA 3.34Å; K224-S234 WeakPolarHBondContact CB-OG 3.38Å; K224-S234 PolarHBondContact N-O 3.25Å; K224-S234 PolarHBondContact O-N 2.99Å; K224-D236 HydrophobicContact CD-CB 4.38Å; K224-D236 VanDerWaalsContact CE-OD2 3.26Å; K224-D236 WeakPolarHBondContact CE-OD2 3.27Å; K224-D236 IonicContact NZ-OD2 3.09Å; K224-D236 PolarHBondContact NZ-OD2 3.04Å
225F83.2Confident80.4Confident43 Ų4348.4 Ų48.419%0.18928%0.282CS..EExtended strand (participates in β ladder)trans-90.2119.9175.3-61.3-91.4000109I22 A81 M82 Y85 F223 V233I22-F225 HydrophobicContact CD1-CD1 4.22Å; I22-F225 HydrophobicContact CD1-CD2 3.77Å; I22-F225 HydrophobicContact CD1-CE1 4.14Å; I22-F225 HydrophobicContact CD1-CE2 3.67Å; I22-F225 HydrophobicContact CD1-CG 4.05Å; I22-F225 HydrophobicContact CD1-CZ 3.87Å; I22-F225 HydrophobicContact CG1-CB 4.38Å; I22-F225 HydrophobicContact CG1-CD2 3.72Å; I22-F225 HydrophobicContact CG1-CE2 4.12Å; I22-F225 HydrophobicContact CG1-CG 3.96Å; A81-F225 HydrophobicContact CB-CE1 4.21Å; A81-F225 HydrophobicContact CB-CZ 4.32Å; M82-F225 HydrophobicContact CG-CE1 3.77Å; M82-F225 HydrophobicContact CG-CZ 4.1Å; Y85-F225 AromaticContact CD2-CE2 3.88Å; Y85-F225 HydrophobicContact CD2-CE2 3.88Å; Y85-F225 HydrophobicContact CD2-CZ 4.47Å; Y85-F225 HydrophobicContact CE2-CE2 4.09Å; Y85-F225 HydrophobicContact CG-CE2 4.17Å; Y85-F225 HydrophobicContact CG-CZ 4.41Å; F223-F225 HydrophobicContact CB-CE2 3.93Å; F223-F225 HydrophobicContact CB-CZ 4.4Å; F225-V233 HydrophobicContact CD1-CB 4.45Å; F225-V233 HydrophobicContact CD1-CG1 4.14Å; F225-V233 HydrophobicContact CD1-CG2 3.51Å; F225-V233 HydrophobicContact CE1-CG1 4.04Å; F225-V233 HydrophobicContact CE1-CG2 3.67Å; F225-V233 HydrophobicContact CG-CG2 4.48Å; F225-V233 HydrophobicContact CZ-CG1 4.4Å
226N75Confident80.5Confident77 Ų7750.1 Ų50.141%0.41229%0.291SS..  trans-73.3129.7-178.7-169.5-4.2000110.4A228 V232N226-A228 PolarHBondContact OD1-N 3.4Å; N226-V232 HydrophobicContact CB-CB 4.36Å; N226-V232 WeakPolarHBondContact CB-O 3.43Å; N226-V232 PolarHBondContact N-O 3.25Å; N226-V232 VanDerWaalsContact N-O 3.09Å
227S65.7Low80.2Confident119 Ų11951 Ų5183%0.83230%0.299SS*.SBendtrans-78.2-21.2177.354.60000113.4
228A58.9Low80.2Confident92 Ų9257.7 Ų57.776%0.7634%0.335SS*.SBendtrans-88.4-30-177.500000113.7N226N226-A228 PolarHBondContact OD1-N 3.4Å
229D66.6Low80.2Confident60 Ų6058.9 Ų58.932%0.32135%0.345SS..SBendtrans-125.995.3174.8-169.5-10.8000106.9R74 D231 V232R74-D229 IonicContact NH1-OD1 3.31Å; R74-D229 PolarHBondContact NH1-OD1 3Å; R74-D229 IonicContact NH1-OD2 3.77Å; R74-D229 PolarHBondContact NH1-OD2 2.94Å; D229-D231 PolarHBondContact O-N 3.26Å; D229-V232 HydrophobicContact CB-CB 4.26Å; D229-V232 HydrophobicContact CB-CG2 3.92Å; D229-V232 VanDerWaalsContact CG-CG2 3.45Å; D229-V232 PolarHBondContact O-N 2.91Å; D229-V232 WeakPolarHBondContact OD2-CG2 3.37Å
230E64.6Low80.2Confident124 Ų12459.3 Ų59.358%0.57935%0.347SS*.THydrogen-bonded Turntrans-54.9-21.2-165-69.6-172.1176.500113.3K78K78-E230 WeakPolarHBondContact CD-O 3.38Å; K78-E230 VanDerWaalsContact CE-O 3.27Å; K78-E230 WeakPolarHBondContact CE-O 3.3Å; K78-E230 PolarHBondContact NZ-O 3.31Å
231D72.5Confident80.1Confident18 Ų1861.2 Ų61.210%0.09636%0.358CS..THydrogen-bonded Turntrans-104.70.4-176.1-64.6-29.2000114.6Y19 F71 R74 K78 D229Y19-D231 PolarHBondContact OH-OD1 3.48Å; F71-D231 WeakPolarHBondContact CE2-OD2 3.41Å; R74-D231 HydrophobicContact CB-CB 3.81Å; K78-D231 IonicContact NZ-OD1 3.51Å; D229-D231 PolarHBondContact O-N 3.26Å
232V77.1Confident80.1Confident52 Ų5265.4 Ų65.432%0.31537%0.37SS..  trans-93.4123.4179.11780000111N226 D229N226-V232 HydrophobicContact CB-CB 4.36Å; N226-V232 WeakPolarHBondContact CB-O 3.43Å; N226-V232 PolarHBondContact N-O 3.25Å; N226-V232 VanDerWaalsContact N-O 3.09Å; D229-V232 HydrophobicContact CB-CB 4.26Å; D229-V232 HydrophobicContact CB-CG2 3.92Å; D229-V232 VanDerWaalsContact CG-CG2 3.45Å; D229-V232 PolarHBondContact O-N 2.91Å; D229-V232 WeakPolarHBondContact OD2-CG2 3.37Å
233V81.3Confident79.8Confident32 Ų3266.2 Ų66.219%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-120.1130.7175.7-170.90000109.7K78 A81 K224 F225K78-V233 HydrophobicContact CB-CG2 4.03Å; K78-V233 HydrophobicContact CG-CG2 4.18Å; A81-V233 HydrophobicContact CB-CB 4.06Å; A81-V233 HydrophobicContact CB-CG1 3.63Å; A81-V233 HydrophobicContact CB-CG2 4.08Å; K224-V233 WeakPolarHBondContact O-CA 3.34Å; F225-V233 HydrophobicContact CD1-CB 4.45Å; F225-V233 HydrophobicContact CD1-CG1 4.14Å; F225-V233 HydrophobicContact CD1-CG2 3.51Å; F225-V233 HydrophobicContact CE1-CG1 4.04Å; F225-V233 HydrophobicContact CE1-CG2 3.67Å; F225-V233 HydrophobicContact CG-CG2 4.48Å; F225-V233 HydrophobicContact CZ-CG1 4.4Å
234S84.1Confident79.6Confident66 Ų6668.6 Ų68.646%0.46239%0.392SS..EExtended strand (participates in β ladder)trans-109.2144170.856.80000111.1K224K224-S234 WeakPolarHBondContact CB-OG 3.38Å; K224-S234 PolarHBondContact N-O 3.25Å; K224-S234 PolarHBondContact O-N 2.99Å
235F86.6Confident79.5Confident39 Ų3965 Ų6517%0.17138%0.376CS..EExtended strand (participates in β ladder)trans-103.1121.7172.5-179.2-95.5000108.5M116 V117 L139 P218 C222 F223 P237M116-F235 HydrophobicContact CE-CB 4.17Å; M116-F235 HydrophobicContact CG-CB 4.07Å; M116-F235 HydrophobicContact CG-CG 4.29Å; M116-F235 HydrophobicContact SD-CB 3.71Å; M116-F235 HydrophobicContact SD-CD2 3.93Å; M116-F235 HydrophobicContact SD-CG 3.95Å; V117-F235 HydrophobicContact CG2-CD1 4.26Å; V117-F235 HydrophobicContact CG2-CE1 3.72Å; V117-F235 HydrophobicContact CG2-CZ 3.96Å; L139-F235 HydrophobicContact CD2-CE1 3.91Å; L139-F235 HydrophobicContact CD2-CZ 4.1Å; P218-F235 HydrophobicContact CB-CE2 4.1Å; P218-F235 HydrophobicContact CB-CZ 4.03Å; C222-F235 HydrophobicContact CB-CD2 4.02Å; C222-F235 HydrophobicContact CB-CE2 3.58Å; C222-F235 HydrophobicContact CB-CZ 4.13Å; C222-F235 CarbonylContact O-C 3.31Å; C222-F235 WeakPolarHBondContact O-CA 3.26Å; F223-F235 HydrophobicContact CD1-CD2 4.22Å; F223-F235 AromaticContact CE1-CD2 3.88Å; F223-F235 HydrophobicContact CE1-CD2 3.88Å; F223-F235 HydrophobicContact CE1-CE2 4.26Å; F223-F235 HydrophobicContact CE2-CE2 4.48Å; F223-F235 HydrophobicContact CZ-CD2 4.15Å; F223-F235 HydrophobicContact CZ-CE2 4.05Å; F235-P237 HydrophobicContact CE1-CB 4.09Å; F235-P237 WeakPolarHBondContact O-CD 3.18Å
236D88.1Confident79.4Confident36 Ų3667.7 Ų67.719%0.19339%0.392CS..  trans-103.3100.1179.4-172.51.7000110.1C222 K224 D238 A239C222-D236 PolarHBondContact O-N 2.9Å; K224-D236 HydrophobicContact CD-CB 4.38Å; K224-D236 VanDerWaalsContact CE-OD2 3.26Å; K224-D236 WeakPolarHBondContact CE-OD2 3.27Å; K224-D236 IonicContact NZ-OD2 3.09Å; K224-D236 PolarHBondContact NZ-OD2 3.04Å; D236-D238 PolarHBondContact O-N 2.97Å; D236-D238 WeakPolarHBondContact OD1-CB 3.08Å; D236-D238 PolarHBondContact OD1-N 2.96Å; D236-D238 VanDerWaalsContact OD1-N 3.16Å; D236-A239 HydrophobicContact CB-CB 4.22Å; D236-A239 PolarHBondContact O-N 3.46Å
237P84.9Confident79.7Confident63 Ų6364.7 Ų64.741%0.40938%0.376SS..G310 helixtrans-66.2-24.5179.627-32.9000112.4L139 F235 A239 C240L139-P237 HydrophobicContact CD2-CB 4.34Å; F235-P237 HydrophobicContact CE1-CB 4.09Å; F235-P237 WeakPolarHBondContact O-CD 3.18Å; P237-A239 PolarHBondContact O-N 2.91Å; P237-C240 WeakPolarHBondContact O-CB 3.38Å; P237-C240 PolarHBondContact O-N 3.03Å; P237-C240 PolarHBondContact O-SG 3.36Å
238D85.2Confident80.6Confident151 Ų15159.2 Ų59.281%0.80734%0.338SS*.G310 helixtrans-72-15.9-179.8-62.9-28.9000112.2D236 C240D236-D238 PolarHBondContact O-N 2.97Å; D236-D238 WeakPolarHBondContact OD1-CB 3.08Å; D236-D238 PolarHBondContact OD1-N 2.96Å; D236-D238 VanDerWaalsContact OD1-N 3.16Å; D238-C240 VanDerWaalsContact C-N 3.32Å
239A88.8Confident81.9Confident26 Ų2657.8 Ų57.822%0.21531%0.313CS..G310 helixtrans-88.26.8177.200000113.9S221 C222 D236 P237S221-A239 PolarHBondContact OG-O 2.77Å; S221-A239 VanDerWaalsContact OG-O 3.07Å; C222-A239 VanDerWaalsContact SG-C 3.56Å; D236-A239 HydrophobicContact CB-CB 4.22Å; D236-A239 PolarHBondContact O-N 3.46Å; P237-A239 PolarHBondContact O-N 2.91Å
240C88.1Confident82.8Confident17 Ų1755.2 Ų55.212%0.11530%0.299CS..PPolyproline II helixtrans-72143.4177.1-650000111.8L216 L217 P237 D238L216-C240 HydrophobicContact CB-CB 3.89Å; L217-C240 WeakPolarHBondContact O-CA 3.17Å; L217-C240 WeakPolarHBondContact O-CB 3.29Å; P237-C240 WeakPolarHBondContact O-CB 3.38Å; P237-C240 PolarHBondContact O-N 3.03Å; P237-C240 PolarHBondContact O-SG 3.36Å; D238-C240 VanDerWaalsContact C-N 3.32Å
241D84.7Confident83.8Confident95 Ų9549.3 Ų49.351%0.50827%0.272SS..EExtended strand (participates in β ladder)trans-86.1142.4175.5-67-46.3000110.7L217L217-D241 PolarHBondContact N-O 2.88Å; L217-D241 PolarHBondContact O-N 3Å
242Q85.1Confident84.6Confident152 Ų15248.5 Ų48.571%0.7127%0.267SS*.EExtended strand (participates in β ladder)trans-79.3125.8172.8-171.1177.40.100110.3L216L216-Q242 HydrophobicContact CD2-CB 4.45Å
243I81.9Confident85.2Confident17 Ų1746.3 Ų46.39%0.08725%0.254CS..EExtended strand (participates in β ladder)trans-103.8144.9177.6-167.6158.3000111.3L215 L217 Y245 Q248L215-I243 HydrophobicContact CB-CG2 3.43Å; L215-I243 VanDerWaalsContact CB-CG2 3.43Å; L215-I243 HydrophobicContact CD1-CG2 4.27Å; L215-I243 PolarHBondContact O-N 3.4Å; L215-I243 VanDerWaalsContact O-N 3.09Å; L217-I243 HydrophobicContact CB-CB 4.45Å; I243-Y245 PolarHBondContact O-N 3.07Å; I243-Q248 HydrophobicContact CD1-CG 4.18Å; I243-Q248 HydrophobicContact CG1-CG 4.29Å; I243-Q248 HydrophobicContact CG2-CG 4.13Å
244S82.7Confident85.5Confident59 Ų5944.8 Ų44.841%0.41324%0.244SC..PPolyproline II helixtrans-64.2128.4175.9171.30000110.9D246 V247 Q248S244-D246 VanDerWaalsContact C-N 3.28Å; S244-D246 PolarHBondContact O-N 3.41Å; S244-D246 PolarHBondContact OG-N 3.26Å; S244-V247 PolarHBondContact O-N 3.43Å; S244-Q248 PolarHBondContact O-N 3.48Å
245Y84.6Confident85.7Confident28 Ų2841.8 Ų41.811%0.1122%0.223CC..Hα-helixtrans-56.3-42.9173.8171.4-101.6000111.7F207 C208 D210 A213 I243 V247 Q248 R249F207-Y245 HydrophobicContact CD2-CE2 4.28Å; F207-Y245 HydrophobicContact CE1-CE2 4.45Å; F207-Y245 AromaticContact CE2-CD2 3.96Å; F207-Y245 HydrophobicContact CE2-CD2 3.96Å; F207-Y245 AromaticContact CE2-CE2 3.66Å; F207-Y245 HydrophobicContact CE2-CE2 3.66Å; F207-Y245 AromaticContact CZ-CD2 3.96Å; F207-Y245 HydrophobicContact CZ-CD2 3.96Å; F207-Y245 AromaticContact CZ-CE2 3.75Å; F207-Y245 HydrophobicContact CZ-CE2 3.75Å; F207-Y245 PolarHBondContact O-OH 2.94Å; C208-Y245 PolarHBondContact O-OH 2.99Å; D210-Y245 VanDerWaalsContact C-OH 3.31Å; D210-Y245 WeakPolarHBondContact O-CE2 3.4Å; D210-Y245 PolarHBondContact O-OH 3.03Å; D210-Y245 VanDerWaalsContact O-OH 3.1Å; A213-Y245 HydrophobicContact CB-CD2 3.81Å; A213-Y245 HydrophobicContact CB-CE2 3.95Å; I243-Y245 PolarHBondContact O-N 3.07Å; Y245-V247 VanDerWaalsContact C-N 3.27Å; Y245-V247 PolarHBondContact O-N 3.31Å; Y245-Q248 PolarHBondContact O-N 2.8Å; Y245-Q248 VanDerWaalsContact O-N 3.15Å; Y245-R249 HydrophobicContact CE1-CB 4.29Å; Y245-R249 WeakPolarHBondContact O-CB 3.34Å; Y245-R249 PolarHBondContact O-N 3.31Å
246D81.6Confident85.9Confident98 Ų9839.9 Ų39.952%0.52422%0.215SC..Hα-helixtrans-60.4-38.1-177.6-66.3-38000112.2S244 R249 L250S244-D246 VanDerWaalsContact C-N 3.28Å; S244-D246 PolarHBondContact O-N 3.41Å; S244-D246 PolarHBondContact OG-N 3.26Å; D246-R249 PolarHBondContact O-N 2.92Å; D246-L250 VanDerWaalsContact O-CG 3.3Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 3.18Å
247V80.2Confident86Confident14 Ų1438.2 Ų38.29%0.08521%0.206CC..Hα-helixtrans-64.9-46.5177.7174.10000110.8S244 Y245 L250 M251 L286S244-V247 PolarHBondContact O-N 3.43Å; Y245-V247 VanDerWaalsContact C-N 3.27Å; Y245-V247 PolarHBondContact O-N 3.31Å; V247-L250 PolarHBondContact O-N 3.36Å; V247-M251 WeakPolarHBondContact O-CG 3.48Å; V247-M251 PolarHBondContact O-N 3.27Å; V247-M251 VanDerWaalsContact O-N 3.11Å; V247-L286 HydrophobicContact CB-CD1 4.29Å; V247-L286 HydrophobicContact CG1-CD1 3.83Å; V247-L286 HydrophobicContact CG1-CD2 4.31Å; V247-L286 HydrophobicContact CG2-CD1 3.64Å; V247-L286 HydrophobicContact CG2-CD2 4.08Å
248Q84.1Confident86.1Confident4 Ų435.4 Ų35.42%0.01919%0.187CC..Hα-helixtrans-69.7-35.6179.5-70.2-61.6-36.800112.1F207 L215 I243 S244 Y245 M251 A252F207-Q248 HydrophobicContact CE1-CB 4.32Å; F207-Q248 HydrophobicContact CZ-CB 3.93Å; L215-Q248 HydrophobicContact CD1-CB 3.69Å; L215-Q248 HydrophobicContact CD1-CG 3.69Å; I243-Q248 HydrophobicContact CD1-CG 4.18Å; I243-Q248 HydrophobicContact CG1-CG 4.29Å; I243-Q248 HydrophobicContact CG2-CG 4.13Å; S244-Q248 PolarHBondContact O-N 3.48Å; Y245-Q248 PolarHBondContact O-N 2.8Å; Y245-Q248 VanDerWaalsContact O-N 3.15Å; Q248-M251 PolarHBondContact O-N 3.45Å; Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 3.22Å
249R87.1Confident86.2Confident62 Ų6228.4 Ų28.423%0.23415%0.15CC..Hα-helixtrans-60.7-46.9172.9179.2175175-94.8-5.4111.7C208 Y245 D246 M251 A252 L253C208-R249 HydrophobicContact CB-CG 4.39Å; C208-R249 PolarHBondContact O-NE 2.88Å; Y245-R249 HydrophobicContact CE1-CB 4.29Å; Y245-R249 WeakPolarHBondContact O-CB 3.34Å; Y245-R249 PolarHBondContact O-N 3.31Å; D246-R249 PolarHBondContact O-N 2.92Å; R249-M251 VanDerWaalsContact C-N 3.31Å; R249-M251 PolarHBondContact O-N 3.32Å; R249-A252 PolarHBondContact O-N 3.34Å; R249-L253 HydrophobicContact CG-CD1 4.26Å; R249-L253 WeakPolarHBondContact O-CB 3.3Å; R249-L253 WeakPolarHBondContact O-CG 3.39Å; R249-L253 PolarHBondContact O-N 2.87Å
250L86.1Confident86.3Confident6 Ų628.6 Ų28.63%0.03115%0.145CC..Hα-helixtrans-62.9-38.2176.9-72.4170.6000112.2D246 V247 L253 F254 I276 H279 I283D246-L250 VanDerWaalsContact O-CG 3.3Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 3.18Å; V247-L250 PolarHBondContact O-N 3.36Å; L250-L253 PolarHBondContact O-N 3.49Å; L250-F254 WeakPolarHBondContact O-CB 3.49Å; L250-F254 PolarHBondContact O-N 2.91Å; L250-I276 HydrophobicContact CD2-CG1 4.42Å; L250-H279 HydrophobicContact CD1-CB 3.77Å; L250-H279 HydrophobicContact CD2-CB 3.87Å; L250-H279 HydrophobicContact CG-CB 4.49Å; L250-I283 HydrophobicContact CB-CD1 4.43Å; L250-I283 HydrophobicContact CD1-CD1 4.4Å; L250-I283 HydrophobicContact CD1-CG1 4.12Å
251M85.6Confident86.3Confident1 Ų130.7 Ų30.71%0.00515%0.152CC..Hα-helixtrans-68.5-41.6176-67.5-56.298.100112.4V247 Q248 R249 F254 D255 I283 S291 A293V247-M251 WeakPolarHBondContact O-CG 3.48Å; V247-M251 PolarHBondContact O-N 3.27Å; V247-M251 VanDerWaalsContact O-N 3.11Å; Q248-M251 PolarHBondContact O-N 3.45Å; R249-M251 VanDerWaalsContact C-N 3.31Å; R249-M251 PolarHBondContact O-N 3.32Å; M251-F254 WeakPolarHBondContact O-CB 3.26Å; M251-F254 PolarHBondContact O-N 2.77Å; M251-D255 VanDerWaalsContact O-CG 3.24Å; M251-D255 PolarHBondContact O-N 2.82Å; M251-I283 HydrophobicContact CE-CD1 4.41Å; M251-I283 HydrophobicContact CE-CG1 4.34Å; M251-I283 HydrophobicContact CE-CG2 4.38Å; M251-S291 WeakPolarHBondContact CE-OG 3.33Å; M251-S291 VanDerWaalsContact SD-CA 3.53Å; M251-S291 VanDerWaalsContact SD-CB 3.53Å; M251-S291 PolarHBondContact SD-OG 2.91Å; M251-S291 VanDerWaalsContact SD-OG 3.41Å; M251-A293 HydrophobicContact CE-CB 3.99Å; M251-A293 HydrophobicContact SD-CB 4.42Å
252A88.8Confident86.3Confident0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-62-42.5174.300000111.7L204 F207 Q248 R249 F254 D255 L256L204-A252 HydrophobicContact CD1-CB 4.28Å; L204-A252 HydrophobicContact CD2-CB 4.2Å; F207-A252 HydrophobicContact CD1-CB 4.08Å; F207-A252 HydrophobicContact CE1-CB 4.14Å; Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 3.22Å; R249-A252 PolarHBondContact O-N 3.34Å; A252-F254 VanDerWaalsContact C-N 3.33Å; A252-F254 PolarHBondContact O-N 3.39Å; A252-D255 PolarHBondContact O-N 3.37Å; A252-L256 WeakPolarHBondContact O-CB 3.02Å; A252-L256 VanDerWaalsContact O-CG 3.3Å; A252-L256 WeakPolarHBondContact O-CG 3.37Å; A252-L256 PolarHBondContact O-N 3.31Å
253L89Confident86.2Confident7 Ų725.7 Ų25.74%0.03713%0.125CC..Hα-helixtrans-63.3-37.9174.1-73.7170.9000112.3R249 L250 G257 L275 I276R249-L253 HydrophobicContact CG-CD1 4.26Å; R249-L253 WeakPolarHBondContact O-CB 3.3Å; R249-L253 WeakPolarHBondContact O-CG 3.39Å; R249-L253 PolarHBondContact O-N 2.87Å; L250-L253 PolarHBondContact O-N 3.49Å; L253-G257 PolarHBondContact O-N 3.31Å; L253-L275 HydrophobicContact CD1-CB 4.11Å; L253-L275 HydrophobicContact CD1-CD1 4.47Å; L253-L275 HydrophobicContact CD2-CD1 4.23Å; L253-I276 HydrophobicContact CB-CD1 3.85Å; L253-I276 HydrophobicContact CB-CG1 3.85Å
254F88.7Confident86.5Confident0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-63.9-46.4176.2-177.9-92.9000111.2L250 M251 A252 G257 E258 F273 I276 Y292 A293 R297 L298 Y301L250-F254 WeakPolarHBondContact O-CB 3.49Å; L250-F254 PolarHBondContact O-N 2.91Å; M251-F254 WeakPolarHBondContact O-CB 3.26Å; M251-F254 PolarHBondContact O-N 2.77Å; A252-F254 VanDerWaalsContact C-N 3.33Å; A252-F254 PolarHBondContact O-N 3.39Å; F254-G257 PolarHBondContact O-N 2.9Å; F254-E258 HydrophobicContact CD1-CG 4.19Å; F254-E258 VanDerWaalsContact CE1-CD 3.42Å; F254-E258 HydrophobicContact CE1-CG 3.74Å; F254-E258 HydrophobicContact CZ-CG 3.98Å; F254-E258 WeakPolarHBondContact O-CG 3.35Å; F254-E258 PolarHBondContact O-N 3.4Å; F254-F273 HydrophobicContact CD2-CE1 4.08Å; F254-F273 HydrophobicContact CE2-CE1 4.24Å; F254-I276 HydrophobicContact CB-CD1 4.05Å; F254-Y292 HydrophobicContact CD1-CE2 4.05Å; F254-Y292 HydrophobicContact CE1-CD2 4.09Å; F254-Y292 AromaticContact CE1-CE2 3.9Å; F254-Y292 HydrophobicContact CE1-CE2 3.9Å; F254-A293 HydrophobicContact CB-CB 4.46Å; F254-A293 HydrophobicContact CD1-CB 4.06Å; F254-A293 HydrophobicContact CD2-CB 3.53Å; F254-A293 HydrophobicContact CE1-CB 4.18Å; F254-A293 HydrophobicContact CE2-CB 3.67Å; F254-A293 HydrophobicContact CG-CB 3.74Å; F254-A293 HydrophobicContact CZ-CB 4Å; F254-R297 HydrophobicContact CZ-CB 4.5Å; F254-L298 HydrophobicContact CD2-CD2 3.72Å; F254-L298 HydrophobicContact CD2-CG 4.24Å; F254-L298 HydrophobicContact CE2-CD2 3.73Å; F254-L298 HydrophobicContact CE2-CG 3.93Å; F254-Y301 HydrophobicContact CZ-CE2 4.43Å
255D88.6Confident86.7Confident2 Ų233.1 Ų33.11%0.01115%0.151CC..Hα-helixtrans-63.9-42.4178.7-65.4-27000111.6R149 I152 M251 A252 E258 H259 Y292R149-D255 IonicContact CZ-OD2 3.78Å; R149-D255 IonicContact NE-OD2 2.67Å; R149-D255 PolarHBondContact NE-OD2 2.95Å; R149-D255 IonicContact NH2-OD2 3.94Å; R149-D255 PolarHBondContact NH2-OD2 2.9Å; I152-D255 HydrophobicContact CG2-CB 4.27Å; I152-D255 VanDerWaalsContact CG2-O 3.28Å; I152-D255 WeakPolarHBondContact CG2-O 3.47Å; M251-D255 VanDerWaalsContact O-CG 3.24Å; M251-D255 PolarHBondContact O-N 2.82Å; A252-D255 PolarHBondContact O-N 3.37Å; D255-E258 PolarHBondContact O-N 2.94Å; D255-H259 WeakPolarHBondContact O-CB 3.47Å; D255-H259 PolarHBondContact O-N 3.07Å; D255-Y292 VanDerWaalsContact OD1-CZ 3.28Å; D255-Y292 PolarHBondContact OD1-OH 3.11Å; D255-Y292 PolarHBondContact OD2-OH 3.4Å
256L90.8Very high86.9Confident0 Ų036.7 Ų36.70%017%0.168CC..Hα-helixtrans-60.7-45.4172.1-76.8168.4000111.7I152 L204 L205 A252 H259 Y260I152-L256 HydrophobicContact CD1-CD2 3.87Å; I152-L256 HydrophobicContact CD1-CG 4.49Å; L204-L256 HydrophobicContact CB-CD1 3.91Å; L204-L256 HydrophobicContact CB-CD2 4.3Å; L204-L256 HydrophobicContact CB-CG 4.22Å; L204-L256 HydrophobicContact CD1-CG 4.29Å; L205-L256 HydrophobicContact CD2-CD1 4.07Å; L205-L256 HydrophobicContact CG-CD1 4.37Å; A252-L256 WeakPolarHBondContact O-CB 3.02Å; A252-L256 VanDerWaalsContact O-CG 3.3Å; A252-L256 WeakPolarHBondContact O-CG 3.37Å; A252-L256 PolarHBondContact O-N 3.31Å; L256-H259 PolarHBondContact O-N 3.47Å; L256-Y260 HydrophobicContact CB-CD2 4.43Å; L256-Y260 HydrophobicContact CB-CE2 4.09Å; L256-Y260 HydrophobicContact CD2-CE2 4.29Å; L256-Y260 WeakPolarHBondContact O-CD2 3.36Å; L256-Y260 PolarHBondContact O-N 3.26Å
257G89.3Confident87.2Confident0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-61.4-45.3177.900000112.8L253 F254 H259 F261 F273L253-G257 PolarHBondContact O-N 3.31Å; F254-G257 PolarHBondContact O-N 2.9Å; G257-H259 VanDerWaalsContact C-N 3.29Å; G257-H259 PolarHBondContact O-N 3.07Å; G257-F261 VanDerWaalsContact O-CB 3.32Å; G257-F261 WeakPolarHBondContact O-CB 3.29Å; G257-F261 PolarHBondContact O-N 3.47Å; G257-F273 VanDerWaalsContact C-CE2 3.47Å; G257-F273 VanDerWaalsContact C-CZ 3.48Å; G257-F273 WeakPolarHBondContact O-CE2 3.45Å
258E87.9Confident87.6Confident5 Ų541.3 Ų41.32%0.02319%0.189CC..Hα-helixtrans-61.5-39.3174.4-68.2-152.1127.500111.4F254 D255 F262 R297 Y301F254-E258 HydrophobicContact CD1-CG 4.19Å; F254-E258 VanDerWaalsContact CE1-CD 3.42Å; F254-E258 HydrophobicContact CE1-CG 3.74Å; F254-E258 HydrophobicContact CZ-CG 3.98Å; F254-E258 WeakPolarHBondContact O-CG 3.35Å; F254-E258 PolarHBondContact O-N 3.4Å; D255-E258 PolarHBondContact O-N 2.94Å; E258-F262 WeakPolarHBondContact O-CB 3.36Å; E258-F262 PolarHBondContact O-N 3.1Å; E258-R297 IonicContact OE1-CZ 3.34Å; E258-R297 IonicContact OE1-NH1 2.71Å; E258-R297 PolarHBondContact OE1-NH1 3.31Å; E258-R297 IonicContact OE1-NH2 3.75Å; E258-R297 PolarHBondContact OE1-NH2 3.4Å; E258-R297 IonicContact OE2-NH1 3.28Å; E258-R297 PolarHBondContact OE2-NH1 3.29Å; E258-R297 IonicContact OE2-NH2 3.98Å; E258-Y301 VanDerWaalsContact CD-OH 3.28Å; E258-Y301 HydrophobicContact CG-CE2 3.78Å; E258-Y301 WeakPolarHBondContact CG-OH 3.36Å; E258-Y301 WeakPolarHBondContact OE1-CE2 3.44Å; E258-Y301 PolarHBondContact OE1-OH 3.22Å
259H87.5Confident87.8Confident4 Ų441.1 Ų41.12%0.01919%0.188CC..Hα-helixtrans-71.1-44.1179.8172.959.2000113.4I152 N155 D255 L256 G257 F261 F262 E263I152-H259 HydrophobicContact CG2-CB 3.35Å; N155-H259 PolarHBondContact ND2-CE1 3.31Å; D255-H259 WeakPolarHBondContact O-CB 3.47Å; D255-H259 PolarHBondContact O-N 3.07Å; L256-H259 PolarHBondContact O-N 3.47Å; G257-H259 VanDerWaalsContact C-N 3.29Å; G257-H259 PolarHBondContact O-N 3.07Å; H259-F261 VanDerWaalsContact C-N 3.28Å; H259-F261 PolarHBondContact O-N 2.95Å; H259-F262 WeakPolarHBondContact O-CB 3.28Å; H259-F262 PolarHBondContact O-N 2.92Å; H259-F262 VanDerWaalsContact O-N 3.15Å; H259-E263 IonicContact CE1-OE1 2.97Å; H259-E263 PolarHBondContact CE1-OE1 2.89Å; H259-E263 IonicContact NE2-OE1 2.79Å; H259-E263 IonicContact NE2-OE2 2.79Å; H259-E263 PolarHBondContact O-N 3.19Å
260Y89.6Confident87.9Confident30 Ų3042.5 Ų42.512%0.11820%0.196CC..Hα-helixtrans-62.8-37.7173.8-67.3-41.5000111.7L256 F262 E263 Q264 K265 E268L256-Y260 HydrophobicContact CB-CD2 4.43Å; L256-Y260 HydrophobicContact CB-CE2 4.09Å; L256-Y260 HydrophobicContact CD2-CE2 4.29Å; L256-Y260 WeakPolarHBondContact O-CD2 3.36Å; L256-Y260 PolarHBondContact O-N 3.26Å; Y260-F262 VanDerWaalsContact C-N 3.34Å; Y260-F262 PolarHBondContact O-N 3.05Å; Y260-E263 PolarHBondContact O-N 2.97Å; Y260-Q264 PolarHBondContact O-N 3.14Å; Y260-Q264 VanDerWaalsContact O-N 3.16Å; Y260-K265 HydrophobicContact CD1-CB 4.32Å; Y260-K265 HydrophobicContact CD1-CD 4.11Å; Y260-K265 PolarHBondContact O-N 3.33Å; Y260-E268 HydrophobicContact CD1-CB 4.18Å; Y260-E268 HydrophobicContact CD2-CB 3.71Å; Y260-E268 HydrophobicContact CE1-CB 4.47Å; Y260-E268 HydrophobicContact CE2-CB 4.02Å; Y260-E268 HydrophobicContact CG-CB 3.8Å
261F88.2Confident87.9Confident61 Ų6148.2 Ų48.227%0.26822%0.223SC..Hα-helixtrans-61.8-42.5172.8-168-86.4000111.8G257 H259 Q264 F266 A269 Y301 A304 L305G257-F261 VanDerWaalsContact O-CB 3.32Å; G257-F261 WeakPolarHBondContact O-CB 3.29Å; G257-F261 PolarHBondContact O-N 3.47Å; H259-F261 VanDerWaalsContact C-N 3.28Å; H259-F261 PolarHBondContact O-N 2.95Å; F261-Q264 PolarHBondContact O-N 3.27Å; F261-F266 HydrophobicContact CD2-CD1 4.32Å; F261-F266 HydrophobicContact CD2-CE1 4.42Å; F261-F266 HydrophobicContact CE2-CD1 4.41Å; F261-F266 HydrophobicContact CE2-CE1 4.31Å; F261-A269 HydrophobicContact CB-CB 4.27Å; F261-Y301 HydrophobicContact CB-CD1 4.43Å; F261-Y301 HydrophobicContact CB-CE1 4.22Å; F261-Y301 HydrophobicContact CD1-CD1 4.15Å; F261-Y301 AromaticContact CD1-CE1 3.75Å; F261-Y301 HydrophobicContact CD1-CE1 3.75Å; F261-Y301 AromaticContact CD2-CD1 3.85Å; F261-Y301 HydrophobicContact CD2-CD1 3.85Å; F261-Y301 HydrophobicContact CD2-CE1 4.27Å; F261-Y301 HydrophobicContact CE1-CD1 4.39Å; F261-Y301 HydrophobicContact CE1-CE1 4.16Å; F261-Y301 HydrophobicContact CE2-CD1 4.12Å; F261-Y301 AromaticContact CG-CD1 3.87Å; F261-Y301 HydrophobicContact CG-CD1 3.87Å; F261-Y301 AromaticContact CG-CE1 3.81Å; F261-Y301 HydrophobicContact CG-CE1 3.81Å; F261-Y301 HydrophobicContact CZ-CD1 4.38Å; F261-A304 HydrophobicContact CE2-CB 3.71Å; F261-A304 HydrophobicContact CZ-CB 3.81Å; F261-L305 HydrophobicContact CD2-CD1 4.23Å; F261-L305 HydrophobicContact CD2-CD2 3.94Å; F261-L305 HydrophobicContact CD2-CG 4.11Å; F261-L305 HydrophobicContact CE2-CD2 4.04Å; F261-L305 HydrophobicContact CE2-CG 4.11Å
262F84.4Confident88Confident78 Ų7848.6 Ų48.634%0.34223%0.225SC..Hα-helixtrans-65.2-40.3175.4175.1-98000113N155 C159 E258 H259 Y260 Q264N155-F262 WeakPolarHBondContact O-CE1 3.26Å; N155-F262 WeakPolarHBondContact O-CZ 3.41Å; C159-F262 HydrophobicContact CB-CE1 4.41Å; C159-F262 HydrophobicContact CB-CE2 4.41Å; C159-F262 HydrophobicContact CB-CZ 3.66Å; E258-F262 WeakPolarHBondContact O-CB 3.36Å; E258-F262 PolarHBondContact O-N 3.1Å; H259-F262 WeakPolarHBondContact O-CB 3.28Å; H259-F262 PolarHBondContact O-N 2.92Å; H259-F262 VanDerWaalsContact O-N 3.15Å; Y260-F262 VanDerWaalsContact C-N 3.34Å; Y260-F262 PolarHBondContact O-N 3.05Å; F262-Q264 PolarHBondContact O-N 2.72Å
263E84.2Confident88Confident63 Ų6348.7 Ų48.729%0.29423%0.226SC..THydrogen-bonded Turntrans-75.92.6175.7-70.3-158.5157.500114.1H259 Y260 K265H259-E263 IonicContact CE1-OE1 2.97Å; H259-E263 PolarHBondContact CE1-OE1 2.89Å; H259-E263 IonicContact NE2-OE1 2.79Å; H259-E263 IonicContact NE2-OE2 2.79Å; H259-E263 PolarHBondContact O-N 3.19Å; Y260-E263 PolarHBondContact O-N 2.97Å; E263-K265 HydrophobicContact CB-CD 4.39Å; E263-K265 HydrophobicContact CB-CG 4.39Å; E263-K265 PolarHBondContact O-N 3.28Å; E263-K265 WeakPolarHBondContact OE2-CE 3.39Å; E263-K265 IonicContact OE2-NZ 3.92Å; E263-K265 PolarHBondContact OE2-NZ 3.45Å
264Q86.6Confident87.8Confident149 Ų14950.8 Ų50.870%0.69624%0.241SC*.THydrogen-bonded Turntrans63.422.8-176.8-50.1176.415.300114.2Y260 F261 F262 F266Y260-Q264 PolarHBondContact O-N 3.14Å; Y260-Q264 VanDerWaalsContact O-N 3.16Å; F261-Q264 PolarHBondContact O-N 3.27Å; F262-Q264 PolarHBondContact O-N 2.72Å; Q264-F266 VanDerWaalsContact C-N 3.35Å; Q264-F266 HydrophobicContact CB-CE2 4.11Å; Q264-F266 HydrophobicContact CB-CZ 4.07Å; Q264-F266 HydrophobicContact CG-CZ 4.42Å; Q264-F266 WeakPolarHBondContact O-CD2 3.38Å; Q264-F266 PolarHBondContact O-N 3.08Å
265K88.1Confident87.6Confident84 Ų8454.2 Ų54.237%0.36526%0.259SS..  trans-89.870.8173.5-74.8178.7-175.8158.30109.8Y260 E263 D267 E268 A269Y260-K265 HydrophobicContact CD1-CB 4.32Å; Y260-K265 HydrophobicContact CD1-CD 4.11Å; Y260-K265 PolarHBondContact O-N 3.33Å; E263-K265 HydrophobicContact CB-CD 4.39Å; E263-K265 HydrophobicContact CB-CG 4.39Å; E263-K265 PolarHBondContact O-N 3.28Å; E263-K265 WeakPolarHBondContact OE2-CE 3.39Å; E263-K265 IonicContact OE2-NZ 3.92Å; E263-K265 PolarHBondContact OE2-NZ 3.45Å; K265-D267 VanDerWaalsContact C-N 3.32Å; K265-D267 PolarHBondContact O-N 2.93Å; K265-E268 HydrophobicContact CB-CB 4.46Å; K265-E268 WeakPolarHBondContact CB-OE2 3.3Å; K265-E268 PolarHBondContact O-N 3.39Å; K265-A269 WeakPolarHBondContact O-CB 3.42Å; K265-A269 PolarHBondContact O-N 2.98Å
266F88.9Confident87.4Confident102 Ų10254.1 Ų54.145%0.44726%0.259SS..Hα-helixtrans-66.9-30.4-168.5-59.7-61.9000113.5F261 Q264 K270 L305F261-F266 HydrophobicContact CD2-CD1 4.32Å; F261-F266 HydrophobicContact CD2-CE1 4.42Å; F261-F266 HydrophobicContact CE2-CD1 4.41Å; F261-F266 HydrophobicContact CE2-CE1 4.31Å; Q264-F266 VanDerWaalsContact C-N 3.35Å; Q264-F266 HydrophobicContact CB-CE2 4.11Å; Q264-F266 HydrophobicContact CB-CZ 4.07Å; Q264-F266 HydrophobicContact CG-CZ 4.42Å; Q264-F266 WeakPolarHBondContact O-CD2 3.38Å; Q264-F266 PolarHBondContact O-N 3.08Å; F266-K270 WeakPolarHBondContact O-CB 3.32Å; F266-K270 PolarHBondContact O-N 3.4Å; F266-L305 HydrophobicContact CB-CD2 4.04Å; F266-L305 HydrophobicContact CD1-CD2 3.95Å; F266-L305 HydrophobicContact CG-CD2 4.45Å
267D86.9Confident86.9Confident131 Ų13155.5 Ų55.570%0.70127%0.266SS*.Hα-helixtrans-69.2-44.9179.3-68-38.5000111.2K265 K270 E271K265-D267 VanDerWaalsContact C-N 3.32Å; K265-D267 PolarHBondContact O-N 2.93Å; D267-K270 WeakPolarHBondContact O-CB 3.14Å; D267-K270 PolarHBondContact O-N 3.48Å; D267-E271 PolarHBondContact O-N 3.5Å
268E88.2Confident86.5Confident78 Ų7860 Ų6036%0.36430%0.295SS..Hα-helixtrans-68.7-36.2176.5-60.393.6141.500111.9Y260 K265 K270 E271 S272Y260-E268 HydrophobicContact CD1-CB 4.18Å; Y260-E268 HydrophobicContact CD2-CB 3.71Å; Y260-E268 HydrophobicContact CE1-CB 4.47Å; Y260-E268 HydrophobicContact CE2-CB 4.02Å; Y260-E268 HydrophobicContact CG-CB 3.8Å; K265-E268 HydrophobicContact CB-CB 4.46Å; K265-E268 WeakPolarHBondContact CB-OE2 3.3Å; K265-E268 PolarHBondContact O-N 3.39Å; E268-K270 VanDerWaalsContact C-N 3.34Å; E268-E271 PolarHBondContact O-N 3.16Å; E268-S272 WeakPolarHBondContact O-CB 3.44Å; E268-S272 PolarHBondContact O-N 3.41Å; E268-S272 PolarHBondContact O-OG 3.05Å
269A89.4Confident86.1Confident0 Ų063.6 Ų63.60%031%0.311CS..Hα-helixtrans-62.1-44.4171.100000110.7F261 K265 S272 F273 L305F261-A269 HydrophobicContact CB-CB 4.27Å; K265-A269 WeakPolarHBondContact O-CB 3.42Å; K265-A269 PolarHBondContact O-N 2.98Å; A269-S272 PolarHBondContact O-N 3.16Å; A269-F273 HydrophobicContact CB-CD2 4.45Å; A269-F273 HydrophobicContact CB-CE2 4.47Å; A269-F273 WeakPolarHBondContact O-CD2 3.45Å; A269-F273 PolarHBondContact O-N 2.93Å; A269-L305 HydrophobicContact CB-CD1 3.99Å; A269-L305 HydrophobicContact CB-CD2 4.34Å
270K87.9Confident85.3Confident91 Ų9164.6 Ų64.640%0.39632%0.317SS..Hα-helixtrans-62.5-42.4178.2-171.8178.4-176.9170.50111.7F266 D267 E268 S274 L307F266-K270 WeakPolarHBondContact O-CB 3.32Å; F266-K270 PolarHBondContact O-N 3.4Å; D267-K270 WeakPolarHBondContact O-CB 3.14Å; D267-K270 PolarHBondContact O-N 3.48Å; E268-K270 VanDerWaalsContact C-N 3.34Å; K270-S274 WeakPolarHBondContact O-CB 3.04Å; K270-S274 PolarHBondContact O-N 2.91Å; K270-S274 PolarHBondContact O-OG 2.91Å; K270-L307 HydrophobicContact CD-CD2 4.37Å; K270-L307 HydrophobicContact CG-CD2 3.54Å; K270-L307 HydrophobicContact CG-CG 4.08Å
271E87.5Confident84.4Confident127 Ų12767.4 Ų67.459%0.59334%0.341SS*.Hα-helixtrans-60.8-50173.9-170.8177.8-177.400110.8D267 E268 F273 S274 L275D267-E271 PolarHBondContact O-N 3.5Å; E268-E271 PolarHBondContact O-N 3.16Å; E271-F273 PolarHBondContact O-N 2.99Å; E271-S274 PolarHBondContact O-N 3.27Å; E271-S274 PolarHBondContact O-OG 3.37Å; E271-L275 WeakPolarHBondContact O-CG 3.26Å; E271-L275 PolarHBondContact O-N 2.82Å; E271-L275 VanDerWaalsContact O-N 3.16Å
272S87.7Confident83.5Confident8 Ų867.6 Ų67.66%0.05635%0.347CS..Hα-helixtrans-58.6-48.8-179.8-57.50000112.2E268 A269 L275 I276E268-S272 WeakPolarHBondContact O-CB 3.44Å; E268-S272 PolarHBondContact O-N 3.41Å; E268-S272 PolarHBondContact O-OG 3.05Å; A269-S272 PolarHBondContact O-N 3.16Å; S272-L275 PolarHBondContact O-N 3.32Å; S272-I276 WeakPolarHBondContact O-CG1 3.27Å; S272-I276 PolarHBondContact O-N 3.22Å
273F88.2Confident82.7Confident3 Ų364 Ų641%0.01333%0.331CS..Hα-helixtrans-70.9-31.9178.6-72.3-62000112.7F254 G257 A269 E271 L275 I276 L277 L298 Y301 L305 L307F254-F273 HydrophobicContact CD2-CE1 4.08Å; F254-F273 HydrophobicContact CE2-CE1 4.24Å; G257-F273 VanDerWaalsContact C-CE2 3.47Å; G257-F273 VanDerWaalsContact C-CZ 3.48Å; G257-F273 WeakPolarHBondContact O-CE2 3.45Å; A269-F273 HydrophobicContact CB-CD2 4.45Å; A269-F273 HydrophobicContact CB-CE2 4.47Å; A269-F273 WeakPolarHBondContact O-CD2 3.45Å; A269-F273 PolarHBondContact O-N 2.93Å; E271-F273 PolarHBondContact O-N 2.99Å; F273-L275 VanDerWaalsContact C-N 3.27Å; F273-L275 PolarHBondContact O-N 3.21Å; F273-I276 HydrophobicContact CD1-CD1 3.99Å; F273-I276 HydrophobicContact CE1-CD1 4.46Å; F273-I276 PolarHBondContact O-N 3.31Å; F273-L277 WeakPolarHBondContact O-CG 3.44Å; F273-L277 PolarHBondContact O-N 3.26Å; F273-L298 HydrophobicContact CD1-CD2 3.75Å; F273-L298 HydrophobicContact CE1-CD2 3.91Å; F273-Y301 AromaticContact CE1-CD2 3.83Å; F273-Y301 HydrophobicContact CE1-CD2 3.83Å; F273-Y301 HydrophobicContact CE1-CE2 4.5Å; F273-Y301 HydrophobicContact CE1-CG 4.13Å; F273-Y301 HydrophobicContact CE2-CD1 4.05Å; F273-Y301 HydrophobicContact CE2-CD2 4.24Å; F273-Y301 AromaticContact CE2-CG 3.78Å; F273-Y301 HydrophobicContact CE2-CG 3.78Å; F273-Y301 HydrophobicContact CZ-CD1 4.05Å; F273-Y301 AromaticContact CZ-CD2 3.49Å; F273-Y301 HydrophobicContact CZ-CD2 3.49Å; F273-Y301 VanDerWaalsContact CZ-CD2 3.49Å; F273-Y301 AromaticContact CZ-CE2 4Å; F273-Y301 HydrophobicContact CZ-CE2 4Å; F273-Y301 AromaticContact CZ-CG 3.52Å; F273-Y301 HydrophobicContact CZ-CG 3.52Å; F273-L305 HydrophobicContact CD2-CD1 3.46Å; F273-L305 VanDerWaalsContact CD2-CD1 3.46Å; F273-L305 HydrophobicContact CE2-CD1 4.03Å; F273-L305 HydrophobicContact CG-CD1 4.43Å; F273-L307 HydrophobicContact CB-CD1 3.66Å
274S85.1Confident81.8Confident51 Ų5165.7 Ų65.736%0.35734%0.339SS..Hα-helixtrans-65-30.9176.270.30000112.8K270 E271 I276 P278K270-S274 WeakPolarHBondContact O-CB 3.04Å; K270-S274 PolarHBondContact O-N 2.91Å; K270-S274 PolarHBondContact O-OG 2.91Å; E271-S274 PolarHBondContact O-N 3.27Å; E271-S274 PolarHBondContact O-OG 3.37Å; S274-I276 VanDerWaalsContact C-N 3.34Å; S274-P278 WeakPolarHBondContact O-CD 3.24Å
275L85Confident80.7Confident72 Ų7261.9 Ų61.938%0.37734%0.34SS..Hα-helixtrans-71.8-24.8171.8-66.7172.5000113.4L253 E271 S272 F273 H279L253-L275 HydrophobicContact CD1-CB 4.11Å; L253-L275 HydrophobicContact CD1-CD1 4.47Å; L253-L275 HydrophobicContact CD2-CD1 4.23Å; E271-L275 WeakPolarHBondContact O-CG 3.26Å; E271-L275 PolarHBondContact O-N 2.82Å; E271-L275 VanDerWaalsContact O-N 3.16Å; S272-L275 PolarHBondContact O-N 3.32Å; F273-L275 VanDerWaalsContact C-N 3.27Å; F273-L275 PolarHBondContact O-N 3.21Å; L275-H279 PolarHBondContact O-CD2 2.71Å
276I84.9Confident79.5Confident0 Ų059.7 Ų59.70%033%0.332CS..Hα-helixtrans-85.3-39.8-178.4-64.4166.5000111.7L250 L253 F254 S272 F273 S274 P278 H279 I283 L298L250-I276 HydrophobicContact CD2-CG1 4.42Å; L253-I276 HydrophobicContact CB-CD1 3.85Å; L253-I276 HydrophobicContact CB-CG1 3.85Å; F254-I276 HydrophobicContact CB-CD1 4.05Å; S272-I276 WeakPolarHBondContact O-CG1 3.27Å; S272-I276 PolarHBondContact O-N 3.22Å; F273-I276 HydrophobicContact CD1-CD1 3.99Å; F273-I276 HydrophobicContact CE1-CD1 4.46Å; F273-I276 PolarHBondContact O-N 3.31Å; S274-I276 VanDerWaalsContact C-N 3.34Å; I276-P278 VanDerWaalsContact C-CD 3.43Å; I276-P278 VanDerWaalsContact C-N 3.35Å; I276-H279 PolarHBondContact O-N 2.79Å; I276-I283 HydrophobicContact CG2-CD1 3.52Å; I276-L298 HydrophobicContact CG2-CD1 4.12Å; I276-L298 HydrophobicContact CG2-CD2 3.96Å
277L80.1Confident77.8Confident29 Ų2958.4 Ų58.415%0.15233%0.333CS..G310 helixtrans-51.6-41.5-172.9-75.2172.8000114.4F273 H279 L280 L307F273-L277 WeakPolarHBondContact O-CG 3.44Å; F273-L277 PolarHBondContact O-N 3.26Å; L277-H279 PolarHBondContact O-N 2.87Å; L277-L280 HydrophobicContact CD2-CD1 3.72Å; L277-L280 HydrophobicContact CD2-CG 4.49Å; L277-L280 WeakPolarHBondContact O-CD1 3.4Å; L277-L280 WeakPolarHBondContact O-CG 3.45Å; L277-L280 PolarHBondContact O-N 2.94Å; L277-L307 HydrophobicContact CD1-CB 3.89Å; L277-L307 HydrophobicContact CD1-CD1 3.93Å; L277-L307 HydrophobicContact CD1-CG 4.37Å
278P81.1Confident76.2Confident94 Ų9459.8 Ų59.861%0.6134%0.34SS*.G310 helixtrans-62.2-21.4176.9-24.134.9000114.5S274 I276S274-P278 WeakPolarHBondContact O-CD 3.24Å; I276-P278 VanDerWaalsContact C-CD 3.43Å; I276-P278 VanDerWaalsContact C-N 3.35Å
279H77.6Confident74.9Confident80 Ų8057.7 Ų57.737%0.3734%0.336SS..G310 helixtrans-106.416.2-175.3-58.8-73.1000113.2L250 L275 I276 L277 S281 T282 I283L250-H279 HydrophobicContact CD1-CB 3.77Å; L250-H279 HydrophobicContact CD2-CB 3.87Å; L250-H279 HydrophobicContact CG-CB 4.49Å; L275-H279 PolarHBondContact O-CD2 2.71Å; I276-H279 PolarHBondContact O-N 2.79Å; L277-H279 PolarHBondContact O-N 2.87Å; H279-S281 VanDerWaalsContact C-N 3.28Å; H279-S281 PolarHBondContact O-N 3.41Å; H279-T282 WeakPolarHBondContact O-CB 3.44Å; H279-T282 PolarHBondContact O-N 3.15Å; H279-I283 PolarHBondContact O-N 3.47Å
280L70.8Confident73.5Confident25 Ų2559.1 Ų59.113%0.13134%0.343CS..Hα-helixtrans-52.3-42.3179.3-91.2162.8000113.2L277 T282 I283 E284 L298 R309L277-L280 HydrophobicContact CD2-CD1 3.72Å; L277-L280 HydrophobicContact CD2-CG 4.49Å; L277-L280 WeakPolarHBondContact O-CD1 3.4Å; L277-L280 WeakPolarHBondContact O-CG 3.45Å; L277-L280 PolarHBondContact O-N 2.94Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.85Å; L280-I283 PolarHBondContact O-N 2.97Å; L280-I283 VanDerWaalsContact O-N 3.12Å; L280-E284 WeakPolarHBondContact O-CG 3.34Å; L280-E284 PolarHBondContact O-N 3.25Å; L280-L298 HydrophobicContact CD2-CB 4.22Å; L280-L298 HydrophobicContact CD2-CD1 3.47Å; L280-L298 VanDerWaalsContact CD2-CD1 3.47Å; L280-L298 HydrophobicContact CD2-CG 4.47Å; L280-R309 VanDerWaalsContact CD1-NH2 3.33Å
281S71.3Confident72.3Confident89 Ų8955.1 Ų55.162%0.62233%0.326SS*.Hα-helixtrans-63.5-34.3178.855.50000112.7H279 G285H279-S281 VanDerWaalsContact C-N 3.28Å; H279-S281 PolarHBondContact O-N 3.41Å; S281-G285 PolarHBondContact O-N 3.43Å
282T70Confident71.6Confident66 Ų6649.9 Ų49.941%0.40530%0.302SS..Hα-helixtrans-67.2-39174.6-460000110.9H279 L280 L286H279-T282 WeakPolarHBondContact O-CB 3.44Å; H279-T282 PolarHBondContact O-N 3.15Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.85Å; T282-L286 HydrophobicContact CG2-CD1 4.28Å; T282-L286 WeakPolarHBondContact O-CD1 3.45Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.5Å
283I67.7Low70.9Confident2 Ų249.6 Ų49.61%0.0130%0.3CS..Hα-helixtrans-70.8-40179.7-63.3173.8000111.6L250 M251 I276 H279 L280 G285 L286 A293 L298L250-I283 HydrophobicContact CB-CD1 4.43Å; L250-I283 HydrophobicContact CD1-CD1 4.4Å; L250-I283 HydrophobicContact CD1-CG1 4.12Å; M251-I283 HydrophobicContact CE-CD1 4.41Å; M251-I283 HydrophobicContact CE-CG1 4.34Å; M251-I283 HydrophobicContact CE-CG2 4.38Å; I276-I283 HydrophobicContact CG2-CD1 3.52Å; H279-I283 PolarHBondContact O-N 3.47Å; L280-I283 PolarHBondContact O-N 2.97Å; L280-I283 VanDerWaalsContact O-N 3.12Å; I283-G285 VanDerWaalsContact C-N 3.28Å; I283-G285 PolarHBondContact O-N 3.36Å; I283-L286 PolarHBondContact O-N 3.14Å; I283-A293 HydrophobicContact CG2-CB 4.01Å; I283-A293 VanDerWaalsContact CG2-O 3.22Å; I283-A293 WeakPolarHBondContact CG2-O 3.08Å; I283-L298 HydrophobicContact CD1-CD1 4.27Å
284E65.3Low70.1Confident98 Ų9852.1 Ų52.146%0.45832%0.315SS..Hα-helixtrans-62.2-34.7179-74.6178.2172.300112.3L280 L286 T287 S295L280-E284 WeakPolarHBondContact O-CG 3.34Å; L280-E284 PolarHBondContact O-N 3.25Å; E284-L286 VanDerWaalsContact C-N 3.28Å; E284-L286 PolarHBondContact O-N 3.38Å; E284-T287 VanDerWaalsContact O-CG2 3.28Å; E284-T287 WeakPolarHBondContact O-CG2 3.34Å; E284-T287 PolarHBondContact O-OG1 2.96Å; E284-S295 WeakPolarHBondContact OE1-CB 3.46Å; E284-S295 PolarHBondContact OE1-OG 2.66Å
285G63.7Low69.5Low70 Ų7051.5 Ų51.572%0.72231%0.311SS*.THydrogen-bonded Turntrans-72.2-15.5174.300000115.1S281 I283S281-G285 PolarHBondContact O-N 3.43Å; I283-G285 VanDerWaalsContact C-N 3.28Å; I283-G285 PolarHBondContact O-N 3.36Å
286L62.8Low69.1Low37 Ų3755.9 Ų55.919%0.19433%0.329CS..THydrogen-bonded Turntrans-97.73.4-175.5-69161.8000113.5V247 T282 I283 E284 N288 A289V247-L286 HydrophobicContact CB-CD1 4.29Å; V247-L286 HydrophobicContact CG1-CD1 3.83Å; V247-L286 HydrophobicContact CG1-CD2 4.31Å; V247-L286 HydrophobicContact CG2-CD1 3.64Å; V247-L286 HydrophobicContact CG2-CD2 4.08Å; T282-L286 HydrophobicContact CG2-CD1 4.28Å; T282-L286 WeakPolarHBondContact O-CD1 3.45Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.5Å; I283-L286 PolarHBondContact O-N 3.14Å; E284-L286 VanDerWaalsContact C-N 3.28Å; E284-L286 PolarHBondContact O-N 3.38Å; L286-N288 PolarHBondContact O-N 3.18Å; L286-A289 PolarHBondContact O-N 3.21Å; L286-A289 VanDerWaalsContact O-N 3.07Å
287T52.4Low68.8Low76 Ų7659.3 Ų59.347%0.46634%0.343SS..THydrogen-bonded Turntrans-59.8-2.6-167.439.80000116.1E284E284-T287 VanDerWaalsContact O-CG2 3.28Å; E284-T287 WeakPolarHBondContact O-CG2 3.34Å; E284-T287 PolarHBondContact O-OG1 2.96Å
288N54.1Low68.8Low159 Ų15958.1 Ų58.185%0.8534%0.336SS*.THydrogen-bonded Turntrans-121.7-7.4176.5-71.4-33.6000115.5L286L286-N288 PolarHBondContact O-N 3.18Å
289A59.7Low68.6Low34 Ų3461 Ų6128%0.28134%0.335SS..THydrogen-bonded Turntrans-108.3-53.9-171.500000113.6N91 L286N91-A289 WeakPolarHBondContact CB-O 3.34Å; N91-A289 PolarHBondContact ND2-O 3.41Å; N91-A289 VanDerWaalsContact ND2-O 3.13Å; L286-A289 PolarHBondContact O-N 3.21Å; L286-A289 VanDerWaalsContact O-N 3.07Å
290H59.9Low68.7Low30 Ų3059.1 Ų59.114%0.13934%0.337CS..THydrogen-bonded Turntrans-142.8-4.2-172.6-56.3-67.3000115.2N91 L217N91-H290 PolarHBondContact O-ND1 3.24Å; N91-H290 VanDerWaalsContact O-ND1 3.17Å; L217-H290 WeakPolarHBondContact CD2-CE1 3.24Å
291S64.4Low69.4Low7 Ų759.8 Ų59.85%0.04934%0.338CS..  trans-108.5134.8-173.9174.40000111.4M251 A293M251-S291 WeakPolarHBondContact CE-OG 3.33Å; M251-S291 VanDerWaalsContact SD-CA 3.53Å; M251-S291 VanDerWaalsContact SD-CB 3.53Å; M251-S291 PolarHBondContact SD-OG 2.91Å; M251-S291 VanDerWaalsContact SD-OG 3.41Å; S291-A293 PolarHBondContact OG-N 3.33Å; S291-A293 VanDerWaalsContact OG-N 3.14Å
292Y72.5Confident69.8Low18 Ų1855.9 Ų55.97%0.07131%0.311CS..  trans-112.38.7163.153.4-97.1000112N93 L94 F95 F153 F254 D255 T294N93-Y292 WeakPolarHBondContact OD1-CD1 3.47Å; L94-Y292 HydrophobicContact CB-CE1 4.17Å; F95-Y292 HydrophobicContact CB-CD1 3.71Å; F95-Y292 HydrophobicContact CB-CD2 4.23Å; F95-Y292 HydrophobicContact CB-CE1 4.31Å; F95-Y292 HydrophobicContact CB-CG 3.64Å; F95-Y292 HydrophobicContact CG-CG 4.47Å; F153-Y292 HydrophobicContact CD2-CE2 4.13Å; F153-Y292 AromaticContact CD2-CZ 3.88Å; F153-Y292 WeakPolarHBondContact CD2-OH 3.3Å; F153-Y292 HydrophobicContact CE2-CE2 4.08Å; F254-Y292 HydrophobicContact CD1-CE2 4.05Å; F254-Y292 HydrophobicContact CE1-CD2 4.09Å; F254-Y292 AromaticContact CE1-CE2 3.9Å; F254-Y292 HydrophobicContact CE1-CE2 3.9Å; D255-Y292 VanDerWaalsContact OD1-CZ 3.28Å; D255-Y292 PolarHBondContact OD1-OH 3.11Å; D255-Y292 PolarHBondContact OD2-OH 3.4Å; Y292-T294 PolarHBondContact O-N 2.88Å; Y292-T294 VanDerWaalsContact O-N 3.1Å
293A71.9Confident70.3Confident2 Ų258.1 Ų58.12%0.01732%0.32CS..  trans-76.495.5172.500000108.7M251 F254 I283 S291M251-A293 HydrophobicContact CE-CB 3.99Å; M251-A293 HydrophobicContact SD-CB 4.42Å; F254-A293 HydrophobicContact CB-CB 4.46Å; F254-A293 HydrophobicContact CD1-CB 4.06Å; F254-A293 HydrophobicContact CD2-CB 3.53Å; F254-A293 HydrophobicContact CE1-CB 4.18Å; F254-A293 HydrophobicContact CE2-CB 3.67Å; F254-A293 HydrophobicContact CG-CB 3.74Å; F254-A293 HydrophobicContact CZ-CB 4Å; I283-A293 HydrophobicContact CG2-CB 4.01Å; I283-A293 VanDerWaalsContact CG2-O 3.22Å; I283-A293 WeakPolarHBondContact CG2-O 3.08Å; S291-A293 PolarHBondContact OG-N 3.33Å; S291-A293 VanDerWaalsContact OG-N 3.14Å
294T73Confident71Confident56 Ų5660.9 Ų60.934%0.34434%0.343SS..  trans-80.5147.4175.2580000110.8Y292 E296 R297 L298Y292-T294 PolarHBondContact O-N 2.88Å; Y292-T294 VanDerWaalsContact O-N 3.1Å; T294-E296 PolarHBondContact O-N 3.08Å; T294-E296 VanDerWaalsContact O-N 3.17Å; T294-R297 PolarHBondContact O-N 2.95Å; T294-R297 VanDerWaalsContact O-N 3.1Å; T294-R297 VanDerWaalsContact OG1-CB 3.3Å; T294-R297 WeakPolarHBondContact OG1-CB 2.85Å; T294-R297 WeakPolarHBondContact OG1-CD 3.21Å; T294-R297 WeakPolarHBondContact OG1-CG 3.4Å; T294-R297 PolarHBondContact OG1-N 3.48Å; T294-L298 PolarHBondContact O-N 3.35Å; T294-L298 VanDerWaalsContact O-N 3.09Å
295S70.8Confident71.9Confident38 Ų3857.1 Ų57.127%0.26633%0.326SS..Hα-helixtrans-54-34.4173.5-162.70000112.5E284 R299E284-S295 WeakPolarHBondContact OE1-CB 3.46Å; E284-S295 PolarHBondContact OE1-OG 2.66Å; S295-R299 VanDerWaalsContact O-CB 3.3Å; S295-R299 WeakPolarHBondContact O-CB 3.49Å; S295-R299 PolarHBondContact O-N 3.15Å
296E76.5Confident72.4Confident163 Ų16356.3 Ų56.376%0.76232%0.318SS*.Hα-helixtrans-65.8-45.9176.2-63.7-176.2168.800113.3T294 R299 G300T294-E296 PolarHBondContact O-N 3.08Å; T294-E296 VanDerWaalsContact O-N 3.17Å; E296-R299 WeakPolarHBondContact O-CB 3.46Å; E296-R299 PolarHBondContact O-N 3.01Å; E296-G300 PolarHBondContact O-N 3.23Å
297R79.8Confident73Confident73 Ų7355.6 Ų55.628%0.27531%0.314SS..Hα-helixtrans-65-43.5177-69.7176103.5-123.6-15.9111.5F254 E258 T294 R299 G300 Y301F254-R297 HydrophobicContact CZ-CB 4.5Å; E258-R297 IonicContact OE1-CZ 3.34Å; E258-R297 IonicContact OE1-NH1 2.71Å; E258-R297 PolarHBondContact OE1-NH1 3.31Å; E258-R297 IonicContact OE1-NH2 3.75Å; E258-R297 PolarHBondContact OE1-NH2 3.4Å; E258-R297 IonicContact OE2-NH1 3.28Å; E258-R297 PolarHBondContact OE2-NH1 3.29Å; E258-R297 IonicContact OE2-NH2 3.98Å; T294-R297 PolarHBondContact O-N 2.95Å; T294-R297 VanDerWaalsContact O-N 3.1Å; T294-R297 VanDerWaalsContact OG1-CB 3.3Å; T294-R297 WeakPolarHBondContact OG1-CB 2.85Å; T294-R297 WeakPolarHBondContact OG1-CD 3.21Å; T294-R297 WeakPolarHBondContact OG1-CG 3.4Å; T294-R297 PolarHBondContact OG1-N 3.48Å; R297-R299 VanDerWaalsContact C-N 3.29Å; R297-R299 PolarHBondContact O-N 2.99Å; R297-G300 PolarHBondContact O-N 3.3Å; R297-G300 VanDerWaalsContact O-N 3.12Å; R297-Y301 WeakPolarHBondContact O-CD2 3.4Å; R297-Y301 PolarHBondContact O-N 2.9Å
298L79.9Confident73.3Confident3 Ų357.5 Ų57.52%0.01633%0.328CS..Hα-helixtrans-60.6-39.1173.9-77.4170.3000111.9F254 F273 I276 L280 I283 T294 Y301 A302F254-L298 HydrophobicContact CD2-CD2 3.72Å; F254-L298 HydrophobicContact CD2-CG 4.24Å; F254-L298 HydrophobicContact CE2-CD2 3.73Å; F254-L298 HydrophobicContact CE2-CG 3.93Å; F273-L298 HydrophobicContact CD1-CD2 3.75Å; F273-L298 HydrophobicContact CE1-CD2 3.91Å; I276-L298 HydrophobicContact CG2-CD1 4.12Å; I276-L298 HydrophobicContact CG2-CD2 3.96Å; L280-L298 HydrophobicContact CD2-CB 4.22Å; L280-L298 HydrophobicContact CD2-CD1 3.47Å; L280-L298 VanDerWaalsContact CD2-CD1 3.47Å; L280-L298 HydrophobicContact CD2-CG 4.47Å; I283-L298 HydrophobicContact CD1-CD1 4.27Å; T294-L298 PolarHBondContact O-N 3.35Å; T294-L298 VanDerWaalsContact O-N 3.09Å; L298-Y301 PolarHBondContact O-N 3.44Å; L298-A302 WeakPolarHBondContact O-CB 3.4Å; L298-A302 PolarHBondContact O-N 3.27Å
299R75.7Confident73.3Confident154 Ų15455 Ų5558%0.58131%0.306SS*.Hα-helixtrans-61.1-43.2172.7-177.1-177.1-176177.72.7111.6S295 E296 R297 A302 I303S295-R299 VanDerWaalsContact O-CB 3.3Å; S295-R299 WeakPolarHBondContact O-CB 3.49Å; S295-R299 PolarHBondContact O-N 3.15Å; E296-R299 WeakPolarHBondContact O-CB 3.46Å; E296-R299 PolarHBondContact O-N 3.01Å; R297-R299 VanDerWaalsContact C-N 3.29Å; R297-R299 PolarHBondContact O-N 2.99Å; R299-A302 PolarHBondContact O-N 3.33Å; R299-I303 HydrophobicContact CG-CD1 3.93Å; R299-I303 VanDerWaalsContact O-CG1 3.26Å; R299-I303 WeakPolarHBondContact O-CG1 3.34Å; R299-I303 PolarHBondContact O-N 2.81Å
300G80.6Confident72.7Confident41 Ų4159.5 Ų59.542%0.42334%0.335SS..Hα-helixtrans-57.8-48.617600000112.7E296 R297 I303 A304E296-G300 PolarHBondContact O-N 3.23Å; R297-G300 PolarHBondContact O-N 3.3Å; R297-G300 VanDerWaalsContact O-N 3.12Å; G300-I303 PolarHBondContact O-N 3.47Å; G300-A304 WeakPolarHBondContact O-CB 3.44Å; G300-A304 PolarHBondContact O-N 2.64Å
301Y84.5Confident71.7Confident39 Ų3965.9 Ų65.915%0.15337%0.365CS..Hα-helixtrans-68.2-39.5177.7-67.8-63.3000113F254 E258 F261 F273 R297 L298 I303 A304 L305F254-Y301 HydrophobicContact CZ-CE2 4.43Å; E258-Y301 VanDerWaalsContact CD-OH 3.28Å; E258-Y301 HydrophobicContact CG-CE2 3.78Å; E258-Y301 WeakPolarHBondContact CG-OH 3.36Å; E258-Y301 WeakPolarHBondContact OE1-CE2 3.44Å; E258-Y301 PolarHBondContact OE1-OH 3.22Å; F261-Y301 HydrophobicContact CB-CD1 4.43Å; F261-Y301 HydrophobicContact CB-CE1 4.22Å; F261-Y301 HydrophobicContact CD1-CD1 4.15Å; F261-Y301 AromaticContact CD1-CE1 3.75Å; F261-Y301 HydrophobicContact CD1-CE1 3.75Å; F261-Y301 AromaticContact CD2-CD1 3.85Å; F261-Y301 HydrophobicContact CD2-CD1 3.85Å; F261-Y301 HydrophobicContact CD2-CE1 4.27Å; F261-Y301 HydrophobicContact CE1-CD1 4.39Å; F261-Y301 HydrophobicContact CE1-CE1 4.16Å; F261-Y301 HydrophobicContact CE2-CD1 4.12Å; F261-Y301 AromaticContact CG-CD1 3.87Å; F261-Y301 HydrophobicContact CG-CD1 3.87Å; F261-Y301 AromaticContact CG-CE1 3.81Å; F261-Y301 HydrophobicContact CG-CE1 3.81Å; F261-Y301 HydrophobicContact CZ-CD1 4.38Å; F273-Y301 AromaticContact CE1-CD2 3.83Å; F273-Y301 HydrophobicContact CE1-CD2 3.83Å; F273-Y301 HydrophobicContact CE1-CE2 4.5Å; F273-Y301 HydrophobicContact CE1-CG 4.13Å; F273-Y301 HydrophobicContact CE2-CD1 4.05Å; F273-Y301 HydrophobicContact CE2-CD2 4.24Å; F273-Y301 AromaticContact CE2-CG 3.78Å; F273-Y301 HydrophobicContact CE2-CG 3.78Å; F273-Y301 HydrophobicContact CZ-CD1 4.05Å; F273-Y301 AromaticContact CZ-CD2 3.49Å; F273-Y301 HydrophobicContact CZ-CD2 3.49Å; F273-Y301 VanDerWaalsContact CZ-CD2 3.49Å; F273-Y301 AromaticContact CZ-CE2 4Å; F273-Y301 HydrophobicContact CZ-CE2 4Å; F273-Y301 AromaticContact CZ-CG 3.52Å; F273-Y301 HydrophobicContact CZ-CG 3.52Å; R297-Y301 WeakPolarHBondContact O-CD2 3.4Å; R297-Y301 PolarHBondContact O-N 2.9Å; L298-Y301 PolarHBondContact O-N 3.44Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.19Å; Y301-A304 PolarHBondContact O-N 3.27Å; Y301-L305 WeakPolarHBondContact O-CB 3.41Å; Y301-L305 WeakPolarHBondContact O-CG 3.39Å; Y301-L305 PolarHBondContact O-N 2.85Å
302A80.9Confident70.3Confident7 Ų773.1 Ų73.16%0.05840%0.403CS..Hα-helixtrans-61.7-40.4177.500000112.2L298 R299 G306 L307L298-A302 WeakPolarHBondContact O-CB 3.4Å; L298-A302 PolarHBondContact O-N 3.27Å; R299-A302 PolarHBondContact O-N 3.33Å; A302-G306 PolarHBondContact O-N 2.95Å; A302-G306 VanDerWaalsContact O-N 3.11Å; A302-L307 HydrophobicContact CB-CB 4.22Å; A302-L307 PolarHBondContact O-N 2.94Å
303I79.6Confident68.6Low113 Ų11378 Ų7858%0.57944%0.435SS*.Hα-helixtrans-64.4-46.4173.6-68.1166.6000110.2R299 G300 Y301 L305 G306R299-I303 HydrophobicContact CG-CD1 3.93Å; R299-I303 VanDerWaalsContact O-CG1 3.26Å; R299-I303 WeakPolarHBondContact O-CG1 3.34Å; R299-I303 PolarHBondContact O-N 2.81Å; G300-I303 PolarHBondContact O-N 3.47Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.19Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 2.97Å; I303-G306 PolarHBondContact O-N 2.94Å
304A82.5Confident66.8Low60 Ų6086.9 Ų86.950%0.49648%0.476SS..Hα-helixtrans-65.9-27.5-178.200000113.9F261 G300 Y301F261-A304 HydrophobicContact CE2-CB 3.71Å; F261-A304 HydrophobicContact CZ-CB 3.81Å; G300-A304 WeakPolarHBondContact O-CB 3.44Å; G300-A304 PolarHBondContact O-N 2.64Å; Y301-A304 PolarHBondContact O-N 3.27Å
305L83.8Confident65.1Low20 Ų2090.5 Ų90.511%0.10549%0.493CS..THydrogen-bonded Turntrans-102.71.5-177.5-65.6170.6000113.8F261 F266 A269 F273 Y301 I303 L307F261-L305 HydrophobicContact CD2-CD1 4.23Å; F261-L305 HydrophobicContact CD2-CD2 3.94Å; F261-L305 HydrophobicContact CD2-CG 4.11Å; F261-L305 HydrophobicContact CE2-CD2 4.04Å; F261-L305 HydrophobicContact CE2-CG 4.11Å; F266-L305 HydrophobicContact CB-CD2 4.04Å; F266-L305 HydrophobicContact CD1-CD2 3.95Å; F266-L305 HydrophobicContact CG-CD2 4.45Å; A269-L305 HydrophobicContact CB-CD1 3.99Å; A269-L305 HydrophobicContact CB-CD2 4.34Å; F273-L305 HydrophobicContact CD2-CD1 3.46Å; F273-L305 VanDerWaalsContact CD2-CD1 3.46Å; F273-L305 HydrophobicContact CE2-CD1 4.03Å; F273-L305 HydrophobicContact CG-CD1 4.43Å; Y301-L305 WeakPolarHBondContact O-CB 3.41Å; Y301-L305 WeakPolarHBondContact O-CG 3.39Å; Y301-L305 PolarHBondContact O-N 2.85Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 2.97Å; L305-L307 HydrophobicContact CB-CD1 4.35Å; L305-L307 HydrophobicContact CB-CG 4.31Å; L305-L307 PolarHBondContact O-N 3.3Å
306G75.9Confident64Low53 Ų5393.3 Ų93.355%0.54651%0.51SS..THydrogen-bonded Turntrans61.638.5-178.800000113.7A302 I303A302-G306 PolarHBondContact O-N 2.95Å; A302-G306 VanDerWaalsContact O-N 3.11Å; I303-G306 PolarHBondContact O-N 2.94Å
307L73.8Confident62.9Low22 Ų2286.8 Ų86.812%0.11548%0.481CS..PPolyproline II helixtrans-83.2126178.5-76.1168.3000110.6K270 F273 L277 A302 L305 R309K270-L307 HydrophobicContact CD-CD2 4.37Å; K270-L307 HydrophobicContact CG-CD2 3.54Å; K270-L307 HydrophobicContact CG-CG 4.08Å; F273-L307 HydrophobicContact CB-CD1 3.66Å; L277-L307 HydrophobicContact CD1-CB 3.89Å; L277-L307 HydrophobicContact CD1-CD1 3.93Å; L277-L307 HydrophobicContact CD1-CG 4.37Å; A302-L307 HydrophobicContact CB-CB 4.22Å; A302-L307 PolarHBondContact O-N 2.94Å; L305-L307 HydrophobicContact CB-CD1 4.35Å; L305-L307 HydrophobicContact CB-CG 4.31Å; L305-L307 PolarHBondContact O-N 3.3Å; L307-R309 PolarHBondContact O-N 3.36Å
308P59.7Low61.6Low116 Ų11689.4 Ų89.475%0.75350%0.496SS*.PPolyproline II helixtrans-71.5128.1-178.328-32.5000110.8
309R54Low60.3Low107 Ų10797 Ų9740%0.40453%0.531SS..PPolyproline II helixtrans-92.5150.6165.8-96.9-173.3166.3164.9-3.6110.1L280 L307 E311L280-R309 VanDerWaalsContact CD1-NH2 3.33Å; L307-R309 PolarHBondContact O-N 3.36Å; R309-E311 PolarHBondContact O-N 2.83Å
310S47.1Very low59.4Low127 Ų12792.1 Ų92.189%0.88852%0.519SS*.SBendtrans-65.7-1.1-176.8-171.10000115.2
311E39.7Very low58.4Low165 Ų16590.7 Ų90.777%0.77150%0.501SS*.SBendtrans-142.1112.5176.1-66.8-179.1170.700109.3R309R309-E311 PolarHBondContact O-N 2.83Å
312D33.8Very low57.5Low158 Ų15893.9 Ų93.985%0.84552%0.521SS*.SBendtrans74.1125.9156.1-62-30.1000123.9
313V36.3Very low56.8Low121 Ų12199.1 Ų99.173%0.73354%0.544SS*.  trans81.792.8160-157.10000117.8L315V313-L315 PolarHBondContact O-N 3.32Å; V313-L315 VanDerWaalsContact O-N 3.12Å
314E34.3Very low56.4Low188 Ų18897.4 Ų97.488%0.87955%0.547SS*.  trans-45.8113.8151.5-66.2179.2159.800109.2P316E314-P316 WeakPolarHBondContact O-CD 3.44Å
315L38.8Very low55.9Low133 Ų13395.5 Ų95.570%0.69653%0.529SS*.  trans-84.9109.1170.9-82.6162.8000108.7V313 V317V313-L315 PolarHBondContact O-N 3.32Å; V313-L315 VanDerWaalsContact O-N 3.12Å; L315-V317 HydrophobicContact CD2-CG2 3.99Å; L315-V317 PolarHBondContact O-N 2.88Å; L315-V317 VanDerWaalsContact O-N 3.11Å
316P47.3Very low55.7Low97 Ų9796 Ų9663%0.6354%0.535SS*.THydrogen-bonded Turntrans-75.14.7176.6-11.730.8000112.9E314E314-P316 WeakPolarHBondContact O-CD 3.44Å
317V52.8Low55.8Low25 Ų2599 Ų9915%0.15253%0.534CS..Hα-helixtrans-86-27.8-152.8-177.40000113.5L315 L321L315-V317 HydrophobicContact CD2-CG2 3.99Å; L315-V317 PolarHBondContact O-N 2.88Å; L315-V317 VanDerWaalsContact O-N 3.11Å; V317-L321 HydrophobicContact CG1-CD1 3.51Å; V317-L321 HydrophobicContact CG1-CG 4.45Å; V317-L321 VanDerWaalsContact O-CD1 3.26Å; V317-L321 WeakPolarHBondContact O-CD1 3.38Å; V317-L321 VanDerWaalsContact O-CG 3.23Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å
318E53Low56.1Low129 Ų129105 Ų10560%0.60356%0.562SS**Hα-helixtrans-83.5-30.6-171.7-69.3-164.7146.100115N322E318-N322 PolarHBondContact O-ND2 3.42Å; E318-N322 VanDerWaalsContact O-ND2 3.16Å
319H53.2Low57.2Low162 Ų16299.6 Ų99.675%0.7553%0.527SS*.Hα-helixtrans-70.8-43.6179.8-80.987.1000111.7L321 N322H319-L321 PolarHBondContact O-N 3.2Å; H319-N322 PolarHBondContact O-N 3.19Å
320V56.7Low58.6Low52 Ų5294.8 Ų94.832%0.31551%0.51SS..Hα-helixtrans-70.4-31.7-176.8-177.40000112.5I329V320-I329 HydrophobicContact CG1-CG1 4.1Å
321L59.7Low60.3Low11 Ų1191 Ų916%0.05848%0.481CS..Hα-helixtrans-83.1-10.3-177.4-65.7173.3000114.3V317 H319 F332 V342 L350V317-L321 HydrophobicContact CG1-CD1 3.51Å; V317-L321 HydrophobicContact CG1-CG 4.45Å; V317-L321 VanDerWaalsContact O-CD1 3.26Å; V317-L321 WeakPolarHBondContact O-CD1 3.38Å; V317-L321 VanDerWaalsContact O-CG 3.23Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å; H319-L321 PolarHBondContact O-N 3.2Å; L321-F332 HydrophobicContact CD2-CD1 4.37Å; L321-F332 HydrophobicContact CD2-CE1 4.1Å; L321-F332 HydrophobicContact CG-CE1 4.49Å; L321-V342 HydrophobicContact CD1-CG2 4.1Å; L321-V342 HydrophobicContact CD2-CG2 4.22Å; L321-L350 HydrophobicContact CD2-CD1 3.7Å
322N64Low62.4Low106 Ų10685.3 Ų85.357%0.56745%0.454SS*.Hα-helixtrans-97.4-12.3178-74.6-22.2000113.1E318 H319E318-N322 PolarHBondContact O-ND2 3.42Å; E318-N322 VanDerWaalsContact O-ND2 3.16Å; H319-N322 PolarHBondContact O-N 3.19Å
323E66.6Low64.8Low116 Ų11677.8 Ų77.854%0.54241%0.414SS..SBendtrans-77.1166.7176.3-72.2-177.4173.400113
324A70.9Confident67.1Low77 Ų7772.2 Ų72.264%0.63638%0.38SS*.PPolyproline II helixtrans-61.9141176.600000110.6S326 I329A324-S326 PolarHBondContact O-N 3.45Å; A324-I329 VanDerWaalsContact O-CD1 3.28Å; A324-I329 WeakPolarHBondContact O-CD1 3.48Å
325P72.8Confident69.5Low20 Ų2067.8 Ų67.813%0.1336%0.359CS..PPolyproline II helixtrans-54125.8179.7-18.127000110.9K353 A354 T357 V361P325-K353 HydrophobicContact CG-CB 3.81Å; P325-A354 HydrophobicContact CB-CB 3.86Å; P325-A354 HydrophobicContact CG-CB 4.18Å; P325-T357 HydrophobicContact CB-CG2 4.49Å; P325-T357 HydrophobicContact CG-CG2 4.21Å; P325-V361 HydrophobicContact CB-CG1 4.16Å
326S79.9Confident71.6Confident31 Ų3161.6 Ų61.622%0.21733%0.327CS..  trans-135.4165.9-17970.70000110.3A324 Q328 I329 A330A324-S326 PolarHBondContact O-N 3.45Å; S326-Q328 PolarHBondContact O-N 2.95Å; S326-Q328 PolarHBondContact OG-N 3.39Å; S326-I329 WeakPolarHBondContact O-CB 3.5Å; S326-I329 PolarHBondContact O-N 3.36Å; S326-I329 PolarHBondContact OG-N 3.41Å; S326-A330 PolarHBondContact O-N 3.28Å
327E77.9Confident73.3Confident115 Ų11557.8 Ų57.854%0.53730%0.302SS..Hα-helixtrans-56.8-31.3174.2-60.6-176.917200111.7A330 V331 V361 E364E327-A330 PolarHBondContact O-N 3.36Å; E327-V331 WeakPolarHBondContact O-CG2 3.19Å; E327-V331 PolarHBondContact O-N 3.19Å; E327-V331 VanDerWaalsContact O-N 3.08Å; E327-V361 HydrophobicContact CG-CG2 4.39Å; E327-E364 WeakPolarHBondContact CA-OE2 3.41Å; E327-E364 WeakPolarHBondContact CB-OE2 3.33Å; E327-E364 WeakPolarHBondContact CG-OE2 3.41Å
328Q79.9Confident74.5Confident149 Ų14960.2 Ų60.270%0.69632%0.318SS*.Hα-helixtrans-65.4-39.4176.7-64.9166.8-8.900111.6S326 V331 F332S326-Q328 PolarHBondContact O-N 2.95Å; S326-Q328 PolarHBondContact OG-N 3.39Å; Q328-V331 PolarHBondContact O-N 2.96Å; Q328-F332 WeakPolarHBondContact O-CB 3.14Å; Q328-F332 PolarHBondContact O-N 3.44Å
329I83Confident75.7Confident2 Ų262.5 Ų62.51%0.0132%0.322CS..Hα-helixtrans-66.1-39.8175.4-68.1167000110.4V320 A324 S326 V331 F332 L333 L350V320-I329 HydrophobicContact CG1-CG1 4.1Å; A324-I329 VanDerWaalsContact O-CD1 3.28Å; A324-I329 WeakPolarHBondContact O-CD1 3.48Å; S326-I329 WeakPolarHBondContact O-CB 3.5Å; S326-I329 PolarHBondContact O-N 3.36Å; S326-I329 PolarHBondContact OG-N 3.41Å; I329-V331 VanDerWaalsContact C-N 3.33Å; I329-V331 PolarHBondContact O-N 3.49Å; I329-F332 PolarHBondContact O-N 3.26Å; I329-L333 HydrophobicContact CG2-CD1 4.15Å; I329-L333 HydrophobicContact CG2-CG 4.27Å; I329-L333 WeakPolarHBondContact O-CB 3.27Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 3.47Å; I329-L350 HydrophobicContact CG2-CD1 4.46Å
330A82.5Confident77Confident6 Ų660.3 Ų60.35%0.0531%0.311CS..Hα-helixtrans-62.8-39.5176.800000112.4S326 E327 L334 E364 V365S326-A330 PolarHBondContact O-N 3.28Å; E327-A330 PolarHBondContact O-N 3.36Å; A330-L334 PolarHBondContact O-N 3.48Å; A330-L334 VanDerWaalsContact O-N 3.14Å; A330-E364 HydrophobicContact CB-CB 3.6Å; A330-V365 HydrophobicContact CB-CG2 3.89Å
331V83.3Confident78Confident47 Ų4761.8 Ų61.829%0.28532%0.32SS..Hα-helixtrans-64.8-46.8173.3174.20000111E327 Q328 I329 L333 L334 E335E327-V331 WeakPolarHBondContact O-CG2 3.19Å; E327-V331 PolarHBondContact O-N 3.19Å; E327-V331 VanDerWaalsContact O-N 3.08Å; Q328-V331 PolarHBondContact O-N 2.96Å; I329-V331 VanDerWaalsContact C-N 3.33Å; I329-V331 PolarHBondContact O-N 3.49Å; V331-L333 VanDerWaalsContact C-N 3.34Å; V331-L333 PolarHBondContact O-N 3.31Å; V331-L334 WeakPolarHBondContact O-CB 3.26Å; V331-L334 PolarHBondContact O-N 3.45Å; V331-L334 VanDerWaalsContact O-N 3.07Å; V331-E335 HydrophobicContact CG1-CG 4.4Å; V331-E335 WeakPolarHBondContact O-CG 3.23Å; V331-E335 PolarHBondContact O-N 2.89Å
332F83.1Confident78.8Confident47 Ų4761.4 Ų61.421%0.20632%0.318CS..Hα-helixtrans-58-44.5176.5177.4-97.7000112.3L321 Q328 I329 L334 E335 D336 V342L321-F332 HydrophobicContact CD2-CD1 4.37Å; L321-F332 HydrophobicContact CD2-CE1 4.1Å; L321-F332 HydrophobicContact CG-CE1 4.49Å; Q328-F332 WeakPolarHBondContact O-CB 3.14Å; Q328-F332 PolarHBondContact O-N 3.44Å; I329-F332 PolarHBondContact O-N 3.26Å; F332-L334 VanDerWaalsContact C-N 3.25Å; F332-L334 PolarHBondContact O-N 2.89Å; F332-E335 PolarHBondContact O-N 3.13Å; F332-D336 WeakPolarHBondContact O-CB 3.33Å; F332-D336 PolarHBondContact O-N 3.37Å; F332-V342 HydrophobicContact CE1-CG2 3.86Å
333L84.6Confident79.6Confident0 Ų059.2 Ų59.20%031%0.311CS..Hα-helixtrans-62.4-33.3176.5-73.5177.4000112.5I329 V331 T337 V342 R347 L350 V365 A368I329-L333 HydrophobicContact CG2-CD1 4.15Å; I329-L333 HydrophobicContact CG2-CG 4.27Å; I329-L333 WeakPolarHBondContact O-CB 3.27Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 3.47Å; V331-L333 VanDerWaalsContact C-N 3.34Å; V331-L333 PolarHBondContact O-N 3.31Å; L333-T337 PolarHBondContact O-OG1 3.18Å; L333-V342 HydrophobicContact CD2-CB 4.42Å; L333-V342 HydrophobicContact CD2-CG1 4.18Å; L333-V342 HydrophobicContact CD2-CG2 4.39Å; L333-R347 HydrophobicContact CD2-CG 3.99Å; L333-R347 VanDerWaalsContact O-CZ 3.25Å; L333-R347 PolarHBondContact O-NH1 3.31Å; L333-R347 PolarHBondContact O-NH2 3.06Å; L333-L350 HydrophobicContact CD1-CD1 4.35Å; L333-L350 HydrophobicContact CD2-CD1 4.2Å; L333-V365 HydrophobicContact CD1-CG1 3.94Å; L333-A368 HydrophobicContact CB-CB 4.25Å
334L84.7Confident80.3Confident4 Ų456.6 Ų56.62%0.02130%0.3CS..Hα-helixtrans-70.6-45.9174.9-168.967.3000110.8A330 V331 F332 D336 T337 A368 I371 T400 K403 A404 L407 L409A330-L334 PolarHBondContact O-N 3.48Å; A330-L334 VanDerWaalsContact O-N 3.14Å; V331-L334 WeakPolarHBondContact O-CB 3.26Å; V331-L334 PolarHBondContact O-N 3.45Å; V331-L334 VanDerWaalsContact O-N 3.07Å; F332-L334 VanDerWaalsContact C-N 3.25Å; F332-L334 PolarHBondContact O-N 2.89Å; L334-D336 VanDerWaalsContact C-N 3.28Å; L334-D336 PolarHBondContact O-N 2.85Å; L334-T337 WeakPolarHBondContact O-CB 3.43Å; L334-T337 PolarHBondContact O-N 2.79Å; L334-T337 VanDerWaalsContact O-N 3.16Å; L334-T337 PolarHBondContact O-OG1 2.86Å; L334-A368 HydrophobicContact CB-CB 4.33Å; L334-A368 HydrophobicContact CD1-CB 4.41Å; L334-I371 HydrophobicContact CD1-CB 4.46Å; L334-I371 HydrophobicContact CD1-CD1 3.84Å; L334-I371 HydrophobicContact CD1-CG2 4.43Å; L334-T400 HydrophobicContact CD1-CG2 4.17Å; L334-T400 HydrophobicContact CD2-CG2 4.03Å; L334-K403 HydrophobicContact CD2-CB 3.58Å; L334-A404 HydrophobicContact CD1-CB 4.22Å; L334-A404 HydrophobicContact CD2-CB 4.47Å; L334-L407 HydrophobicContact CD2-CD1 4.09Å; L334-L407 HydrophobicContact CG-CD1 4.07Å; L334-L409 HydrophobicContact CD1-CD1 4.12Å; L334-L409 HydrophobicContact CG-CD1 4.08Å; L334-L409 WeakPolarHBondContact O-CD1 3.21Å
335E84.8Confident80.5Confident94 Ų9457.1 Ų57.144%0.43930%0.3SS..Hα-helixtrans-64.4-29.5176.8-70.9175.2175.500113.2V331 F332 T337 P338 Y339 L407V331-E335 HydrophobicContact CG1-CG 4.4Å; V331-E335 WeakPolarHBondContact O-CG 3.23Å; V331-E335 PolarHBondContact O-N 2.89Å; F332-E335 PolarHBondContact O-N 3.13Å; E335-T337 VanDerWaalsContact C-N 3.29Å; E335-T337 PolarHBondContact O-N 3.39Å; E335-P338 WeakPolarHBondContact O-CD 3.33Å; E335-Y339 WeakPolarHBondContact O-CD2 3.43Å; E335-Y339 WeakPolarHBondContact O-CE2 2.98Å; E335-L407 HydrophobicContact CG-CD1 3.99Å; E335-L407 HydrophobicContact CG-CD2 4.28Å
336D83.6Confident80.8Confident4 Ų461.2 Ų61.22%0.02131%0.312CS..THydrogen-bonded Turntrans-74.9-13.9175.5175.561.4000113.6F332 L334 P338 Y339 K340 T341 V342 R347F332-D336 WeakPolarHBondContact O-CB 3.33Å; F332-D336 PolarHBondContact O-N 3.37Å; L334-D336 VanDerWaalsContact C-N 3.28Å; L334-D336 PolarHBondContact O-N 2.85Å; D336-P338 VanDerWaalsContact C-N 3.34Å; D336-P338 WeakPolarHBondContact O-CD 3.3Å; D336-P338 VanDerWaalsContact O-N 3.17Å; D336-Y339 PolarHBondContact O-N 3.25Å; D336-Y339 VanDerWaalsContact O-N 3.1Å; D336-K340 PolarHBondContact O-N 3.4Å; D336-T341 WeakPolarHBondContact OD1-CA 3.49Å; D336-T341 VanDerWaalsContact OD1-CB 3.28Å; D336-T341 WeakPolarHBondContact OD1-CB 3.22Å; D336-T341 PolarHBondContact OD1-N 3.22Å; D336-T341 PolarHBondContact OD1-OG1 3.28Å; D336-V342 HydrophobicContact CB-CG2 4.44Å; D336-V342 PolarHBondContact OD1-N 2.88Å; D336-V342 VanDerWaalsContact OD2-CB 3.26Å; D336-V342 WeakPolarHBondContact OD2-CB 3.5Å; D336-V342 WeakPolarHBondContact OD2-CG2 3.41Å; D336-V342 PolarHBondContact OD2-N 3.29Å; D336-R347 IonicContact OD2-CZ 2.75Å; D336-R347 IonicContact OD2-NE 3.01Å; D336-R347 IonicContact OD2-NH2 3.36Å; D336-R347 PolarHBondContact OD2-NH2 3.18Å
337T82.3Confident81.1Confident16 Ų1659.8 Ų59.810%0.09830%0.302CS..THydrogen-bonded Turntrans-49.7-40.7-178.5-56.70000115.5L333 L334 E335 R372 L409L333-T337 PolarHBondContact O-OG1 3.18Å; L334-T337 WeakPolarHBondContact O-CB 3.43Å; L334-T337 PolarHBondContact O-N 2.79Å; L334-T337 VanDerWaalsContact O-N 3.16Å; L334-T337 PolarHBondContact O-OG1 2.86Å; E335-T337 VanDerWaalsContact C-N 3.29Å; E335-T337 PolarHBondContact O-N 3.39Å; T337-R372 PolarHBondContact O-NH1 3.39Å; T337-L409 HydrophobicContact CG2-CD1 4.4Å; T337-L409 HydrophobicContact CG2-CD2 4.09Å
338P77.6Confident81.4Confident77 Ų7758.9 Ų58.950%0.530%0.301SS..THydrogen-bonded Turntrans-80.9-32.5177.929.2-22.4000112.8E335 D336 L409E335-P338 WeakPolarHBondContact O-CD 3.33Å; D336-P338 VanDerWaalsContact C-N 3.34Å; D336-P338 WeakPolarHBondContact O-CD 3.3Å; D336-P338 VanDerWaalsContact O-N 3.17Å; P338-L409 HydrophobicContact CB-CD2 4.12Å; P338-L409 HydrophobicContact CG-CD2 3.85Å
339Y79.1Confident81.5Confident176 Ų17656.2 Ų56.269%0.6929%0.291SS*.THydrogen-bonded Turntrans-82.2-24.8-176.8-54.3-72.7000113.1E335 D336 T341E335-Y339 WeakPolarHBondContact O-CD2 3.43Å; E335-Y339 WeakPolarHBondContact O-CE2 2.98Å; D336-Y339 PolarHBondContact O-N 3.25Å; D336-Y339 VanDerWaalsContact O-N 3.1Å; Y339-T341 PolarHBondContact O-N 3.08Å
340K79.9Confident81.6Confident117 Ų11756.3 Ų56.351%0.50929%0.291SS..  trans54.930.4179.5-46.4-169.7174.2-159.20113.3D336 V342 R372 E376D336-K340 PolarHBondContact O-N 3.4Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 2.92Å; K340-R372 VanDerWaalsContact CD-NH2 3.33Å; K340-R372 VanDerWaalsContact CE-NH1 3.31Å; K340-R372 VanDerWaalsContact CG-NH2 3.31Å; K340-E376 IonicContact NZ-OE1 2.77Å; K340-E376 PolarHBondContact NZ-OE1 2.78Å
341T77Confident81.7Confident82 Ų8257.6 Ų57.650%0.50330%0.296SS..  trans-70.9-30-178.871.10000111.3D336 Y339D336-T341 WeakPolarHBondContact OD1-CA 3.49Å; D336-T341 VanDerWaalsContact OD1-CB 3.28Å; D336-T341 WeakPolarHBondContact OD1-CB 3.22Å; D336-T341 PolarHBondContact OD1-N 3.22Å; D336-T341 PolarHBondContact OD1-OG1 3.28Å; Y339-T341 PolarHBondContact O-N 3.08Å
342V78.2Confident81.8Confident3 Ų364.2 Ų64.22%0.01832%0.316CS..SBendtrans-92.4117173.9-170.40000110.4L321 F332 L333 D336 K340 R346 R347L321-V342 HydrophobicContact CD1-CG2 4.1Å; L321-V342 HydrophobicContact CD2-CG2 4.22Å; F332-V342 HydrophobicContact CE1-CG2 3.86Å; L333-V342 HydrophobicContact CD2-CB 4.42Å; L333-V342 HydrophobicContact CD2-CG1 4.18Å; L333-V342 HydrophobicContact CD2-CG2 4.39Å; D336-V342 HydrophobicContact CB-CG2 4.44Å; D336-V342 PolarHBondContact OD1-N 2.88Å; D336-V342 VanDerWaalsContact OD2-CB 3.26Å; D336-V342 WeakPolarHBondContact OD2-CB 3.5Å; D336-V342 WeakPolarHBondContact OD2-CG2 3.41Å; D336-V342 PolarHBondContact OD2-N 3.29Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 2.92Å; V342-R346 HydrophobicContact CG1-CB 3.95Å; V342-R346 HydrophobicContact CG1-CG 4.27Å; V342-R347 HydrophobicContact CB-CG 4.36Å; V342-R347 HydrophobicContact CG1-CG 3.79Å
343S80.3Confident81.7Confident61 Ų6166.2 Ų66.243%0.42732%0.324SS..  trans-61.4149.2176.872.10000112.4S345 R346 R347S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 3.2Å; S343-R346 PolarHBondContact O-N 3.13Å; S343-R346 WeakPolarHBondContact OG-CB 3.37Å; S343-R346 PolarHBondContact OG-N 3.19Å; S343-R347 PolarHBondContact O-N 2.85Å
344L81.4Confident81.7Confident60 Ų6066.2 Ų66.231%0.31432%0.324SS..Hα-helixtrans-55.3-40.1177.4-76.6169.9000112.6R346 R347 L348 R372 E376L344-R346 VanDerWaalsContact C-N 3.29Å; L344-R346 PolarHBondContact O-N 3.24Å; L344-R347 WeakPolarHBondContact O-CB 3.37Å; L344-R347 PolarHBondContact O-N 3.11Å; L344-L348 WeakPolarHBondContact O-CG 3.31Å; L344-L348 PolarHBondContact O-N 3.36Å; L344-R372 HydrophobicContact CD2-CG 4.3Å; L344-E376 WeakPolarHBondContact CD1-OE2 3.49Å
345S75.1Confident81.6Confident89 Ų8969.3 Ų69.362%0.62235%0.346SS*.Hα-helixtrans-61.3-38.1176.714.80000112S343 L349S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 3.2Å; S345-L349 PolarHBondContact O-N 3.07Å; S345-L349 VanDerWaalsContact O-N 3.1Å
346R78.9Confident81.4Confident105 Ų10572.5 Ų72.540%0.39636%0.361SS..Hα-helixtrans-73.2-36.4177-159.2132.6-177.7170.7-2111.9V342 S343 L344 L349 L350V342-R346 HydrophobicContact CG1-CB 3.95Å; V342-R346 HydrophobicContact CG1-CG 4.27Å; S343-R346 PolarHBondContact O-N 3.13Å; S343-R346 WeakPolarHBondContact OG-CB 3.37Å; S343-R346 PolarHBondContact OG-N 3.19Å; L344-R346 VanDerWaalsContact C-N 3.29Å; L344-R346 PolarHBondContact O-N 3.24Å; R346-L349 WeakPolarHBondContact O-CB 3.34Å; R346-L349 PolarHBondContact O-N 3.47Å; R346-L350 WeakPolarHBondContact O-CG 3.45Å; R346-L350 PolarHBondContact O-N 3.01Å
347R86.5Confident81Confident2 Ų274.9 Ų74.91%0.00838%0.376CS..Hα-helixtrans-60.7-44.3171.5-68.1-172.2173-126-1.1112.7L333 D336 V342 S343 L344 L349 L350 E351 N369L333-R347 HydrophobicContact CD2-CG 3.99Å; L333-R347 VanDerWaalsContact O-CZ 3.25Å; L333-R347 PolarHBondContact O-NH1 3.31Å; L333-R347 PolarHBondContact O-NH2 3.06Å; D336-R347 IonicContact OD2-CZ 2.75Å; D336-R347 IonicContact OD2-NE 3.01Å; D336-R347 IonicContact OD2-NH2 3.36Å; D336-R347 PolarHBondContact OD2-NH2 3.18Å; V342-R347 HydrophobicContact CB-CG 4.36Å; V342-R347 HydrophobicContact CG1-CG 3.79Å; S343-R347 PolarHBondContact O-N 2.85Å; L344-R347 WeakPolarHBondContact O-CB 3.37Å; L344-R347 PolarHBondContact O-N 3.11Å; R347-L349 VanDerWaalsContact C-N 3.34Å; R347-L350 PolarHBondContact O-N 2.94Å; R347-E351 WeakPolarHBondContact O-CB 3.47Å; R347-E351 PolarHBondContact O-N 3.38Å; R347-N369 PolarHBondContact O-ND2 2.88Å
348L84.5Confident80.8Confident96 Ų9680.6 Ų80.650%0.50341%0.406SS..Hα-helixtrans-65.1-36.5176.2-74.4167.4000112.2L344 E351 R352L344-L348 WeakPolarHBondContact O-CG 3.31Å; L344-L348 PolarHBondContact O-N 3.36Å; L348-E351 PolarHBondContact O-N 2.82Å; L348-R352 PolarHBondContact O-N 3.29Å
349L82Confident80.9Confident92 Ų9281 Ų8148%0.48240%0.402SS..Hα-helixtrans-63.8-43.5174-171.774.6000111.4S345 R346 R347 R352 K353S345-L349 PolarHBondContact O-N 3.07Å; S345-L349 VanDerWaalsContact O-N 3.1Å; R346-L349 WeakPolarHBondContact O-CB 3.34Å; R346-L349 PolarHBondContact O-N 3.47Å; R347-L349 VanDerWaalsContact C-N 3.34Å; L349-R352 PolarHBondContact O-N 3.34Å; L349-K353 WeakPolarHBondContact O-CG 3.42Å; L349-K353 PolarHBondContact O-N 3.44Å
350L83.9Confident81.1Confident4 Ų475.6 Ų75.62%0.02139%0.388CS..Hα-helixtrans-65.2-39.8176.4-72.7168.8000112.1L321 I329 L333 R346 R347 R352 K353 A354L321-L350 HydrophobicContact CD2-CD1 3.7Å; I329-L350 HydrophobicContact CG2-CD1 4.46Å; L333-L350 HydrophobicContact CD1-CD1 4.35Å; L333-L350 HydrophobicContact CD2-CD1 4.2Å; R346-L350 WeakPolarHBondContact O-CG 3.45Å; R346-L350 PolarHBondContact O-N 3.01Å; R347-L350 PolarHBondContact O-N 2.94Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 3.45Å; L350-K353 PolarHBondContact O-N 2.97Å; L350-A354 VanDerWaalsContact O-CB 3.32Å; L350-A354 WeakPolarHBondContact O-CB 3.42Å; L350-A354 PolarHBondContact O-N 3.4Å
351E85.9Confident81.3Confident33 Ų3370.9 Ų70.915%0.15437%0.369CS..Hα-helixtrans-59.5-43.7172.8-178.5-174.7131.700111.9R347 L348 A354 S355 Y362 V365 Y366 N369R347-E351 WeakPolarHBondContact O-CB 3.47Å; R347-E351 PolarHBondContact O-N 3.38Å; L348-E351 PolarHBondContact O-N 2.82Å; E351-A354 PolarHBondContact O-N 3.32Å; E351-S355 PolarHBondContact O-N 3.45Å; E351-Y362 HydrophobicContact CG-CE2 4.03Å; E351-V365 HydrophobicContact CB-CG1 4.34Å; E351-Y366 HydrophobicContact CG-CD2 3.87Å; E351-Y366 WeakPolarHBondContact OE1-CD2 3.37Å; E351-Y366 WeakPolarHBondContact OE1-CE2 3.11Å; E351-N369 PolarHBondContact OE2-ND2 3.24Å
352R84.1Confident81.9Confident187 Ų18769.1 Ų69.171%0.70635%0.354SS*.Hα-helixtrans-62.9-45.2176.7-155.5179.1-155.8172.25.5111.3L348 L349 L350 A354 S355L348-R352 PolarHBondContact O-N 3.29Å; L349-R352 PolarHBondContact O-N 3.34Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 3.45Å; R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 3.24Å; R352-S355 WeakPolarHBondContact O-CB 3.47Å; R352-S355 PolarHBondContact O-N 2.89Å; R352-S355 PolarHBondContact O-OG 3.15Å
353K82.4Confident82.3Confident88 Ų8869 Ų6938%0.38335%0.353SS..Hα-helixtrans-61.1-40.8172.8-72-177.2176.6-174.20112P325 L349 L350 S355 E356P325-K353 HydrophobicContact CG-CB 3.81Å; L349-K353 WeakPolarHBondContact O-CG 3.42Å; L349-K353 PolarHBondContact O-N 3.44Å; L350-K353 PolarHBondContact O-N 2.97Å; K353-S355 VanDerWaalsContact C-N 3.28Å; K353-S355 PolarHBondContact O-N 2.89Å; K353-E356 WeakPolarHBondContact O-CB 3.46Å; K353-E356 PolarHBondContact O-N 3.38Å
354A84.1Confident82.7Confident0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-66.6-31179.100000112P325 L350 E351 R352 E356 T357 Y362 V365P325-A354 HydrophobicContact CB-CB 3.86Å; P325-A354 HydrophobicContact CG-CB 4.18Å; L350-A354 VanDerWaalsContact O-CB 3.32Å; L350-A354 WeakPolarHBondContact O-CB 3.42Å; L350-A354 PolarHBondContact O-N 3.4Å; E351-A354 PolarHBondContact O-N 3.32Å; R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 3.24Å; A354-E356 PolarHBondContact O-N 3.27Å; A354-E356 VanDerWaalsContact O-N 3.13Å; A354-T357 PolarHBondContact O-N 3.36Å; A354-T357 PolarHBondContact O-OG1 3.23Å; A354-Y362 HydrophobicContact CB-CD2 4.3Å; A354-V365 HydrophobicContact CB-CB 4.23Å; A354-V365 HydrophobicContact CB-CG1 4.4Å; A354-V365 HydrophobicContact CB-CG2 4.18Å
355S83.1Confident83Confident69 Ų6964.6 Ų64.648%0.48332%0.324SS..THydrogen-bonded Turntrans-62.6-17.8175.378.30000113.9E351 R352 K353E351-S355 PolarHBondContact O-N 3.45Å; R352-S355 WeakPolarHBondContact O-CB 3.47Å; R352-S355 PolarHBondContact O-N 2.89Å; R352-S355 PolarHBondContact O-OG 3.15Å; K353-S355 VanDerWaalsContact C-N 3.28Å; K353-S355 PolarHBondContact O-N 2.89Å
356E79Confident83.7Confident161 Ų16161.3 Ų61.375%0.75230%0.298SS*.THydrogen-bonded Turntrans-89.4-4.2175.1-59.1173.4178.900112.7K353 A354K353-E356 WeakPolarHBondContact O-CB 3.46Å; K353-E356 PolarHBondContact O-N 3.38Å; A354-E356 PolarHBondContact O-N 3.27Å; A354-E356 VanDerWaalsContact O-N 3.13Å
357T76.3Confident84.2Confident55 Ų5556.3 Ų56.334%0.33728%0.279SS..SBendtrans-105.2-168.7-178.666.50000112.7P325 A354P325-T357 HydrophobicContact CB-CG2 4.49Å; P325-T357 HydrophobicContact CG-CG2 4.21Å; A354-T357 PolarHBondContact O-N 3.36Å; A354-T357 PolarHBondContact O-OG1 3.23Å
358L78.4Confident84.3Confident136 Ų13656.2 Ų56.271%0.71228%0.279SS*.  trans-60134.6176.4-76.8157.5000111.2P360 V361 Y362L358-P360 VanDerWaalsContact C-N 3.31Å; L358-P360 WeakPolarHBondContact O-CD 3.35Å; L358-P360 VanDerWaalsContact O-N 3.11Å; L358-V361 PolarHBondContact O-N 3.08Å; L358-Y362 PolarHBondContact O-N 3.19Å
359M80.1Confident84.5Confident84 Ų8451.8 Ų51.841%0.41426%0.256SS..Hα-helixtrans-46.8-38.5-178.9-85.6-63.3-5900116.1Y362 A363M359-Y362 HydrophobicContact CE-CD1 4.49Å; M359-Y362 HydrophobicContact SD-CD1 4.38Å; M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.21Å; M359-A363 PolarHBondContact O-N 3.41Å
360P82.9Confident84.8Confident63 Ų6347.6 Ų47.641%0.40923%0.234SC..Hα-helixtrans-63.6-41.7177.3-22.334.1000113.3L358 A363 E364L358-P360 VanDerWaalsContact C-N 3.31Å; L358-P360 WeakPolarHBondContact O-CD 3.35Å; L358-P360 VanDerWaalsContact O-N 3.11Å; P360-A363 PolarHBondContact O-N 3.49Å; P360-E364 WeakPolarHBondContact O-CG 3.33Å; P360-E364 PolarHBondContact O-N 3.49Å
361V83.7Confident85Confident18 Ų1848 Ų4811%0.10924%0.236CC..Hα-helixtrans-66.4-44179.8179.20000110.3P325 E327 L358 A363 E364 V365P325-V361 HydrophobicContact CB-CG1 4.16Å; E327-V361 HydrophobicContact CG-CG2 4.39Å; L358-V361 PolarHBondContact O-N 3.08Å; V361-A363 VanDerWaalsContact C-N 3.31Å; V361-A363 PolarHBondContact O-N 3.19Å; V361-E364 PolarHBondContact O-N 3.38Å; V361-V365 WeakPolarHBondContact O-CG2 3.49Å; V361-V365 PolarHBondContact O-N 3.39Å
362Y88.6Confident85Confident46 Ų4647.1 Ų47.118%0.1823%0.231CC..Hα-helixtrans-57.1-46.6171.6173.6-113000111.5E351 A354 L358 M359 E364 V365 Y366 F387E351-Y362 HydrophobicContact CG-CE2 4.03Å; A354-Y362 HydrophobicContact CB-CD2 4.3Å; L358-Y362 PolarHBondContact O-N 3.19Å; M359-Y362 HydrophobicContact CE-CD1 4.49Å; M359-Y362 HydrophobicContact SD-CD1 4.38Å; Y362-E364 VanDerWaalsContact C-N 3.33Å; Y362-E364 PolarHBondContact O-N 2.93Å; Y362-V365 PolarHBondContact O-N 2.87Å; Y362-Y366 HydrophobicContact CE2-CD2 4.29Å; Y362-Y366 WeakPolarHBondContact O-CB 3.46Å; Y362-Y366 PolarHBondContact O-N 3.08Å; Y362-F387 HydrophobicContact CD1-CE2 4.27Å; Y362-F387 HydrophobicContact CE1-CD2 4.15Å; Y362-F387 AromaticContact CE1-CE2 3.94Å; Y362-F387 HydrophobicContact CE1-CE2 3.94Å
363A87.4Confident85.1Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-63.5-37-178.600000112.8M359 P360 V361 S367 F387 I396M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.21Å; M359-A363 PolarHBondContact O-N 3.41Å; P360-A363 PolarHBondContact O-N 3.49Å; V361-A363 VanDerWaalsContact C-N 3.31Å; V361-A363 PolarHBondContact O-N 3.19Å; A363-S367 WeakPolarHBondContact O-CB 3.4Å; A363-S367 PolarHBondContact O-N 2.99Å; A363-S367 PolarHBondContact O-OG 3.23Å; A363-F387 HydrophobicContact CB-CE2 4.14Å; A363-F387 HydrophobicContact CB-CZ 3.73Å; A363-I396 HydrophobicContact CB-CB 4.4Å; A363-I396 HydrophobicContact CB-CD1 3.66Å; A363-I396 HydrophobicContact CB-CG2 4Å
364E88.2Confident85.1Confident28 Ų2836.6 Ų36.613%0.13119%0.192CC..Hα-helixtrans-69.2-46.9175.5-70.7-165146.200112.7E327 A330 P360 V361 Y362 Y366 S367 A368 I396 K403E327-E364 WeakPolarHBondContact CA-OE2 3.41Å; E327-E364 WeakPolarHBondContact CB-OE2 3.33Å; E327-E364 WeakPolarHBondContact CG-OE2 3.41Å; A330-E364 HydrophobicContact CB-CB 3.6Å; P360-E364 WeakPolarHBondContact O-CG 3.33Å; P360-E364 PolarHBondContact O-N 3.49Å; V361-E364 PolarHBondContact O-N 3.38Å; Y362-E364 VanDerWaalsContact C-N 3.33Å; Y362-E364 PolarHBondContact O-N 2.93Å; E364-Y366 VanDerWaalsContact C-N 3.35Å; E364-Y366 PolarHBondContact O-N 3.43Å; E364-S367 PolarHBondContact O-N 3.36Å; E364-A368 PolarHBondContact O-N 2.89Å; E364-I396 HydrophobicContact CG-CG2 3.64Å; E364-K403 IonicContact OE1-NZ 3.27Å
365V87.3Confident84.8Confident1 Ų138.6 Ų38.61%0.00621%0.213CC..Hα-helixtrans-61.8-44.7177.1173.90000110.6A330 L333 E351 A354 V361 Y362 S367 A368 N369A330-V365 HydrophobicContact CB-CG2 3.89Å; L333-V365 HydrophobicContact CD1-CG1 3.94Å; E351-V365 HydrophobicContact CB-CG1 4.34Å; A354-V365 HydrophobicContact CB-CB 4.23Å; A354-V365 HydrophobicContact CB-CG1 4.4Å; A354-V365 HydrophobicContact CB-CG2 4.18Å; V361-V365 WeakPolarHBondContact O-CG2 3.49Å; V361-V365 PolarHBondContact O-N 3.39Å; Y362-V365 PolarHBondContact O-N 2.87Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 3.16Å; V365-A368 PolarHBondContact O-N 3.39Å; V365-N369 PolarHBondContact O-N 3.4Å
366Y90.1Very high84.6Confident20 Ų2038.5 Ų38.58%0.07821%0.205CC..Hα-helixtrans-62-42.2176.9-162.7-108.4000111.1E351 Y362 E364 A368 N369 I370 F387E351-Y366 HydrophobicContact CG-CD2 3.87Å; E351-Y366 WeakPolarHBondContact OE1-CD2 3.37Å; E351-Y366 WeakPolarHBondContact OE1-CE2 3.11Å; Y362-Y366 HydrophobicContact CE2-CD2 4.29Å; Y362-Y366 WeakPolarHBondContact O-CB 3.46Å; Y362-Y366 PolarHBondContact O-N 3.08Å; E364-Y366 VanDerWaalsContact C-N 3.35Å; E364-Y366 PolarHBondContact O-N 3.43Å; Y366-A368 PolarHBondContact O-N 2.95Å; Y366-N369 PolarHBondContact O-N 2.95Å; Y366-I370 HydrophobicContact CD1-CD1 3.68Å; Y366-I370 HydrophobicContact CD1-CG1 4.2Å; Y366-I370 HydrophobicContact CE1-CD1 3.78Å; Y366-I370 HydrophobicContact CE1-CG1 4.21Å; Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.14Å; Y366-I370 PolarHBondContact O-N 2.91Å; Y366-F387 HydrophobicContact CD1-CB 4.46Å; Y366-F387 AromaticContact CD1-CD1 3.58Å; Y366-F387 HydrophobicContact CD1-CD1 3.58Å; Y366-F387 AromaticContact CD1-CD2 3.9Å; Y366-F387 HydrophobicContact CD1-CD2 3.9Å; Y366-F387 AromaticContact CD1-CE1 3.68Å; Y366-F387 HydrophobicContact CD1-CE1 3.68Å; Y366-F387 AromaticContact CD1-CE2 3.99Å; Y366-F387 HydrophobicContact CD1-CE2 3.99Å; Y366-F387 AromaticContact CD1-CG 3.71Å; Y366-F387 HydrophobicContact CD1-CG 3.71Å; Y366-F387 AromaticContact CD1-CZ 3.89Å; Y366-F387 HydrophobicContact CD1-CZ 3.89Å; Y366-F387 HydrophobicContact CE1-CB 3.98Å; Y366-F387 AromaticContact CE1-CD1 3.81Å; Y366-F387 HydrophobicContact CE1-CD1 3.81Å; Y366-F387 HydrophobicContact CE1-CD2 4.21Å; Y366-F387 HydrophobicContact CE1-CE1 4.38Å; Y366-F387 AromaticContact CE1-CG 3.72Å; Y366-F387 HydrophobicContact CE1-CG 3.72Å; Y366-F387 HydrophobicContact CG-CE2 4.49Å
367S90.4Very high84.6Confident0 Ų033.1 Ų33.10%019%0.193CC..Hα-helixtrans-63.3-38.5176.6-64.10000113A363 E364 V365 I370 I371 T400A363-S367 WeakPolarHBondContact O-CB 3.4Å; A363-S367 PolarHBondContact O-N 2.99Å; A363-S367 PolarHBondContact O-OG 3.23Å; E364-S367 PolarHBondContact O-N 3.36Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 3.16Å; S367-I370 WeakPolarHBondContact O-CB 3.43Å; S367-I370 PolarHBondContact O-N 3.17Å; S367-I371 WeakPolarHBondContact O-CG1 3.31Å; S367-I371 PolarHBondContact O-N 2.87Å; S367-T400 WeakPolarHBondContact CB-OG1 3.49Å
368A88.8Confident84.8Confident0 Ų034.1 Ų34.10%020%0.196CC..Hα-helixtrans-66.3-40.5174.200000111.8L333 L334 E364 V365 Y366 I371 R372L333-A368 HydrophobicContact CB-CB 4.25Å; L334-A368 HydrophobicContact CB-CB 4.33Å; L334-A368 HydrophobicContact CD1-CB 4.41Å; E364-A368 PolarHBondContact O-N 2.89Å; V365-A368 PolarHBondContact O-N 3.39Å; Y366-A368 PolarHBondContact O-N 2.95Å; A368-I371 PolarHBondContact O-N 2.99Å; A368-R372 PolarHBondContact O-N 3.13Å; A368-R372 VanDerWaalsContact O-N 3.14Å
369N88.7Confident85Confident3 Ų332.7 Ų32.72%0.01619%0.194CC..Hα-helixtrans-66.9-37175.5-75.1-8.8000112.7R347 E351 V365 Y366 I371 R372 N373R347-N369 PolarHBondContact O-ND2 2.88Å; E351-N369 PolarHBondContact OE2-ND2 3.24Å; V365-N369 PolarHBondContact O-N 3.4Å; Y366-N369 PolarHBondContact O-N 2.95Å; N369-I371 PolarHBondContact O-N 3.18Å; N369-R372 PolarHBondContact O-N 3.4Å; N369-N373 VanDerWaalsContact O-CB 3.3Å; N369-N373 WeakPolarHBondContact O-CB 3.34Å; N369-N373 PolarHBondContact O-N 2.9Å; N369-N373 PolarHBondContact O-ND2 2.94Å; N369-N373 PolarHBondContact O-OD1 3.49Å
370I88.4Confident85Confident4 Ų431.1 Ų31.12%0.02119%0.189CC..Hα-helixtrans-52.8-55.5171.8-76.1172.9000109.4Y366 S367 R372 N373 F374 L384 F387 F397 F419Y366-I370 HydrophobicContact CD1-CD1 3.68Å; Y366-I370 HydrophobicContact CD1-CG1 4.2Å; Y366-I370 HydrophobicContact CE1-CD1 3.78Å; Y366-I370 HydrophobicContact CE1-CG1 4.21Å; Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.14Å; Y366-I370 PolarHBondContact O-N 2.91Å; S367-I370 WeakPolarHBondContact O-CB 3.43Å; S367-I370 PolarHBondContact O-N 3.17Å; I370-R372 VanDerWaalsContact C-N 3.3Å; I370-R372 PolarHBondContact O-N 3.38Å; I370-N373 PolarHBondContact O-N 3.43Å; I370-N373 VanDerWaalsContact O-N 3.16Å; I370-F374 HydrophobicContact CB-CD2 4.49Å; I370-F374 HydrophobicContact CB-CE2 4.37Å; I370-F374 HydrophobicContact CG2-CD2 3.66Å; I370-F374 HydrophobicContact CG2-CE2 3.7Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 3.11Å; I370-L384 HydrophobicContact CD1-CD1 3.89Å; I370-L384 HydrophobicContact CD1-CG 4.07Å; I370-L384 HydrophobicContact CG1-CD1 3.69Å; I370-L384 HydrophobicContact CG1-CG 4.39Å; I370-L384 HydrophobicContact CG2-CD1 4.34Å; I370-F387 HydrophobicContact CD1-CD1 4.46Å; I370-F397 HydrophobicContact CB-CE2 4.2Å; I370-F397 HydrophobicContact CD1-CE2 4.38Å; I370-F397 HydrophobicContact CG2-CE2 3.48Å; I370-F397 VanDerWaalsContact CG2-CE2 3.48Å; I370-F397 HydrophobicContact CG2-CZ 3.81Å; I370-F419 HydrophobicContact CG2-CE1 3.95Å; I370-F419 HydrophobicContact CG2-CZ 3.94Å
371I86.8Confident85Confident11 Ų1131.3 Ų31.36%0.05619%0.19CC..Hα-helixtrans-59.9-42.2-177.3-64.7170.7000111.2L334 S367 A368 N369 G375 F397 T400 L401 A404L334-I371 HydrophobicContact CD1-CB 4.46Å; L334-I371 HydrophobicContact CD1-CD1 3.84Å; L334-I371 HydrophobicContact CD1-CG2 4.43Å; S367-I371 WeakPolarHBondContact O-CG1 3.31Å; S367-I371 PolarHBondContact O-N 2.87Å; A368-I371 PolarHBondContact O-N 2.99Å; N369-I371 PolarHBondContact O-N 3.18Å; I371-G375 PolarHBondContact O-N 2.96Å; I371-F397 HydrophobicContact CG1-CE2 4.46Å; I371-T400 HydrophobicContact CD1-CG2 3.93Å; I371-L401 HydrophobicContact CD1-CD2 4.29Å; I371-A404 HydrophobicContact CD1-CB 3.8Å
372R85.7Confident84.9Confident15 Ų1537.7 Ų37.76%0.05722%0.218CC..Hα-helixtrans-60.5-49.2175.3-173.271.1173.7101.723.2112.2T337 K340 L344 A368 N369 I370 G375 E376T337-R372 PolarHBondContact O-NH1 3.39Å; K340-R372 VanDerWaalsContact CD-NH2 3.33Å; K340-R372 VanDerWaalsContact CE-NH1 3.31Å; K340-R372 VanDerWaalsContact CG-NH2 3.31Å; L344-R372 HydrophobicContact CD2-CG 4.3Å; A368-R372 PolarHBondContact O-N 3.13Å; A368-R372 VanDerWaalsContact O-N 3.14Å; N369-R372 PolarHBondContact O-N 3.4Å; I370-R372 VanDerWaalsContact C-N 3.3Å; I370-R372 PolarHBondContact O-N 3.38Å; R372-G375 PolarHBondContact O-N 3.42Å; R372-E376 IonicContact CZ-OE1 2.62Å; R372-E376 IonicContact CZ-OE2 3.81Å; R372-E376 IonicContact NH1-OE1 3.07Å; R372-E376 PolarHBondContact NH1-OE1 3.45Å; R372-E376 VanDerWaalsContact NH2-CD 3.35Å; R372-E376 IonicContact NH2-OE1 3.38Å; R372-E376 PolarHBondContact NH2-OE1 3.12Å; R372-E376 IonicContact NH2-OE2 3.03Å; R372-E376 PolarHBondContact O-N 3.03Å; R372-E376 VanDerWaalsContact O-N 3.16Å
373N86Confident84.7Confident41 Ų4138.7 Ų38.722%0.21923%0.232CC..Hα-helixtrans-64.6-42.1-175.3-72-13.4000112N369 I370 E376 G377 L378N369-N373 VanDerWaalsContact O-CB 3.3Å; N369-N373 WeakPolarHBondContact O-CB 3.34Å; N369-N373 PolarHBondContact O-N 2.9Å; N369-N373 PolarHBondContact O-ND2 2.94Å; N369-N373 PolarHBondContact O-OD1 3.49Å; I370-N373 PolarHBondContact O-N 3.43Å; I370-N373 VanDerWaalsContact O-N 3.16Å; N373-E376 CarbonylContact O-C 3.59Å; N373-E376 PolarHBondContact O-N 3.45Å; N373-G377 PolarHBondContact O-N 3.36Å; N373-L378 HydrophobicContact CB-CB 4.16Å; N373-L378 HydrophobicContact CB-CD1 3.82Å; N373-L378 WeakPolarHBondContact O-CB 3.44Å; N373-L378 PolarHBondContact O-N 2.97Å
374F82.4Confident84.7Confident14 Ų1439 Ų396%0.06123%0.233CC..Hα-helixtrans-73.3-33176.8-68.7-63.2000112.8I370 E376 G377 L378 V380 L384 F419I370-F374 HydrophobicContact CB-CD2 4.49Å; I370-F374 HydrophobicContact CB-CE2 4.37Å; I370-F374 HydrophobicContact CG2-CD2 3.66Å; I370-F374 HydrophobicContact CG2-CE2 3.7Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 3.11Å; F374-E376 PolarHBondContact O-N 3.3Å; F374-G377 PolarHBondContact O-N 3.05Å; F374-G377 VanDerWaalsContact O-N 3.13Å; F374-L378 WeakPolarHBondContact CE1-O 3.1Å; F374-V380 HydrophobicContact CD1-CG2 4.5Å; F374-V380 HydrophobicContact CE1-CB 4.3Å; F374-V380 HydrophobicContact CE1-CG2 3.43Å; F374-V380 VanDerWaalsContact CE1-CG2 3.43Å; F374-V380 HydrophobicContact CZ-CB 4.34Å; F374-V380 HydrophobicContact CZ-CG1 4.5Å; F374-V380 HydrophobicContact CZ-CG2 3.8Å; F374-L384 HydrophobicContact CE2-CD1 3.41Å; F374-L384 VanDerWaalsContact CE2-CD1 3.41Å; F374-L384 HydrophobicContact CZ-CD1 3.58Å; F374-F419 HydrophobicContact CB-CB 4.45Å; F374-F419 HydrophobicContact CB-CD1 4.17Å; F374-F419 HydrophobicContact CB-CG 4.19Å; F374-F419 HydrophobicContact CD1-CB 4.13Å; F374-F419 HydrophobicContact CD1-CD1 4.3Å; F374-F419 AromaticContact CD1-CD2 3.43Å; F374-F419 HydrophobicContact CD1-CD2 3.43Å; F374-F419 VanDerWaalsContact CD1-CD2 3.43Å; F374-F419 AromaticContact CD1-CE2 3.83Å; F374-F419 HydrophobicContact CD1-CE2 3.83Å; F374-F419 AromaticContact CD1-CG 3.68Å; F374-F419 HydrophobicContact CD1-CG 3.68Å; F374-F419 HydrophobicContact CD1-CZ 4.38Å; F374-F419 AromaticContact CD2-CD1 3.73Å; F374-F419 HydrophobicContact CD2-CD1 3.73Å; F374-F419 AromaticContact CD2-CD2 3.88Å; F374-F419 HydrophobicContact CD2-CD2 3.88Å; F374-F419 AromaticContact CD2-CE1 3.41Å; F374-F419 HydrophobicContact CD2-CE1 3.41Å; F374-F419 VanDerWaalsContact CD2-CE1 3.41Å; F374-F419 AromaticContact CD2-CE2 3.6Å; F374-F419 HydrophobicContact CD2-CE2 3.6Å; F374-F419 AromaticContact CD2-CG 3.94Å; F374-F419 HydrophobicContact CD2-CG 3.94Å; F374-F419 AromaticContact CD2-CZ 3.32Å; F374-F419 HydrophobicContact CD2-CZ 3.32Å; F374-F419 AromaticContact CE1-CD2 3.42Å; F374-F419 HydrophobicContact CE1-CD2 3.42Å; F374-F419 VanDerWaalsContact CE1-CD2 3.42Å; F374-F419 AromaticContact CE1-CE2 3.48Å; F374-F419 HydrophobicContact CE1-CE2 3.48Å; F374-F419 VanDerWaalsContact CE1-CE2 3.48Å; F374-F419 HydrophobicContact CE1-CG 4.16Å; F374-F419 HydrophobicContact CE1-CZ 4.23Å; F374-F419 HydrophobicContact CE2-CD1 4.41Å; F374-F419 AromaticContact CE2-CD2 3.93Å; F374-F419 HydrophobicContact CE2-CD2 3.93Å; F374-F419 AromaticContact CE2-CE1 3.81Å; F374-F419 HydrophobicContact CE2-CE1 3.81Å; F374-F419 AromaticContact CE2-CE2 3.27Å; F374-F419 HydrophobicContact CE2-CE2 3.27Å; F374-F419 HydrophobicContact CE2-CG 4.44Å; F374-F419 AromaticContact CE2-CZ 3.18Å; F374-F419 HydrophobicContact CE2-CZ 3.18Å; F374-F419 HydrophobicContact CG-CB 4.23Å; F374-F419 AromaticContact CG-CD1 3.74Å; F374-F419 HydrophobicContact CG-CD1 3.74Å; F374-F419 AromaticContact CG-CD2 3.71Å; F374-F419 HydrophobicContact CG-CD2 3.71Å; F374-F419 AromaticContact CG-CE1 3.93Å; F374-F419 HydrophobicContact CG-CE1 3.93Å; F374-F419 AromaticContact CG-CE2 3.92Å; F374-F419 HydrophobicContact CG-CE2 3.92Å; F374-F419 AromaticContact CG-CG 3.6Å; F374-F419 HydrophobicContact CG-CG 3.6Å; F374-F419 HydrophobicContact CG-CZ 4Å; F374-F419 AromaticContact CZ-CD2 3.69Å; F374-F419 HydrophobicContact CZ-CD2 3.69Å; F374-F419 AromaticContact CZ-CE2 3.19Å; F374-F419 HydrophobicContact CZ-CE2 3.19Å; F374-F419 AromaticContact CZ-CZ 3.66Å; F374-F419 HydrophobicContact CZ-CZ 3.66Å
375G79.1Confident84.5Confident41 Ų4138.9 Ų38.942%0.42323%0.234SC..Hα-helixtrans-56.8-32.5168.800000112.6I371 R372I371-G375 PolarHBondContact O-N 2.96Å; R372-G375 PolarHBondContact O-N 3.42Å
376E77.8Confident84.4Confident67 Ų6744.7 Ų44.731%0.31326%0.261SS..THydrogen-bonded Turntrans-94.22178.2-61.4-161.6142.700114.8K340 L344 R372 N373 F374K340-E376 IonicContact NZ-OE1 2.77Å; K340-E376 PolarHBondContact NZ-OE1 2.78Å; L344-E376 WeakPolarHBondContact CD1-OE2 3.49Å; R372-E376 IonicContact CZ-OE1 2.62Å; R372-E376 IonicContact CZ-OE2 3.81Å; R372-E376 IonicContact NH1-OE1 3.07Å; R372-E376 PolarHBondContact NH1-OE1 3.45Å; R372-E376 VanDerWaalsContact NH2-CD 3.35Å; R372-E376 IonicContact NH2-OE1 3.38Å; R372-E376 PolarHBondContact NH2-OE1 3.12Å; R372-E376 IonicContact NH2-OE2 3.03Å; R372-E376 PolarHBondContact O-N 3.03Å; R372-E376 VanDerWaalsContact O-N 3.16Å; N373-E376 CarbonylContact O-C 3.59Å; N373-E376 PolarHBondContact O-N 3.45Å; F374-E376 PolarHBondContact O-N 3.3Å
377G79.1Confident84.3Confident49 Ų4944.3 Ų44.351%0.50526%0.259SS..THydrogen-bonded Turntrans77.223.2176.900000115.1N373 F374N373-G377 PolarHBondContact O-N 3.36Å; F374-G377 PolarHBondContact O-N 3.05Å; F374-G377 VanDerWaalsContact O-N 3.13Å
378L81.8Confident84.1Confident76 Ų7644.4 Ų44.440%0.39826%0.26SS..PPolyproline II helixtrans-71147.3174-69.9171.1000111.7N373 F374N373-L378 HydrophobicContact CB-CB 4.16Å; N373-L378 HydrophobicContact CB-CD1 3.82Å; N373-L378 WeakPolarHBondContact O-CB 3.44Å; N373-L378 PolarHBondContact O-N 2.97Å; F374-L378 WeakPolarHBondContact CE1-O 3.1Å
379P80.9Confident83.8Confident105 Ų10547.9 Ų47.968%0.68228%0.284SS*.PPolyproline II helixtrans-70.7150.7-176.728.7-35.1000112.9T381P379-T381 PolarHBondContact O-N 3.34Å
380V81.3Confident83.6Confident51 Ų5153.9 Ų53.931%0.30931%0.306SS..PPolyproline II helixtrans-72.1126.2174.6-172.70000110.5F374 L384 L385 F419 F422F374-V380 HydrophobicContact CD1-CG2 4.5Å; F374-V380 HydrophobicContact CE1-CB 4.3Å; F374-V380 HydrophobicContact CE1-CG2 3.43Å; F374-V380 VanDerWaalsContact CE1-CG2 3.43Å; F374-V380 HydrophobicContact CZ-CB 4.34Å; F374-V380 HydrophobicContact CZ-CG1 4.5Å; F374-V380 HydrophobicContact CZ-CG2 3.8Å; V380-L384 HydrophobicContact CG1-CD2 3.89Å; V380-L385 HydrophobicContact CG1-CD2 4.39Å; V380-L385 HydrophobicContact CG1-CG 4.2Å; V380-F419 HydrophobicContact CG2-CD2 3.84Å; V380-F419 HydrophobicContact CG2-CE2 3.88Å; V380-F422 HydrophobicContact CB-CE1 4.17Å; V380-F422 HydrophobicContact CG1-CE1 3.98Å; V380-F422 HydrophobicContact CG2-CD1 4.07Å; V380-F422 HydrophobicContact CG2-CE1 4.03Å
381T83.1Confident83.2Confident68 Ų6857.4 Ų57.442%0.41733%0.332SS..PPolyproline II helixtrans-95.5150.7177.750.90000112.7P379 S383 L384 L385P379-T381 PolarHBondContact O-N 3.34Å; T381-S383 WeakPolarHBondContact CB-OG 3.27Å; T381-S383 PolarHBondContact O-N 3.4Å; T381-S383 PolarHBondContact OG1-OG 3.1Å; T381-S383 VanDerWaalsContact OG1-OG 3.05Å; T381-L384 WeakPolarHBondContact O-CB 3.49Å; T381-L384 PolarHBondContact O-N 3.08Å; T381-L385 PolarHBondContact O-N 3.42Å
382Q82Confident83.1Confident151 Ų15163 Ų6371%0.70636%0.358SS*.Hα-helixtrans-58-33.4176.7-171.465.513.900113.1L384 L385 H386Q382-L384 VanDerWaalsContact C-N 3.29Å; Q382-L384 PolarHBondContact O-N 3.36Å; Q382-L385 PolarHBondContact O-N 3.24Å; Q382-H386 PolarHBondContact O-N 3.43Å
383S83.9Confident83.2Confident68 Ų6862.5 Ų62.548%0.47636%0.356SS..Hα-helixtrans-59.2-38.2174.746.80000112.7T381 H386 F387T381-S383 WeakPolarHBondContact CB-OG 3.27Å; T381-S383 PolarHBondContact O-N 3.4Å; T381-S383 PolarHBondContact OG1-OG 3.1Å; T381-S383 VanDerWaalsContact OG1-OG 3.05Å; S383-H386 PolarHBondContact O-N 3.06Å; S383-F387 VanDerWaalsContact O-CB 3.31Å; S383-F387 WeakPolarHBondContact O-CB 3.26Å; S383-F387 PolarHBondContact O-N 3.05Å
384L86.1Confident83.1Confident5 Ų561 Ų613%0.02635%0.348CS..Hα-helixtrans-68.5-45.3177.8176.9157.3000111.1I370 F374 V380 T381 Q382 H386 F387 L388 F419 L423I370-L384 HydrophobicContact CD1-CD1 3.89Å; I370-L384 HydrophobicContact CD1-CG 4.07Å; I370-L384 HydrophobicContact CG1-CD1 3.69Å; I370-L384 HydrophobicContact CG1-CG 4.39Å; I370-L384 HydrophobicContact CG2-CD1 4.34Å; F374-L384 HydrophobicContact CE2-CD1 3.41Å; F374-L384 VanDerWaalsContact CE2-CD1 3.41Å; F374-L384 HydrophobicContact CZ-CD1 3.58Å; V380-L384 HydrophobicContact CG1-CD2 3.89Å; T381-L384 WeakPolarHBondContact O-CB 3.49Å; T381-L384 PolarHBondContact O-N 3.08Å; Q382-L384 VanDerWaalsContact C-N 3.29Å; Q382-L384 PolarHBondContact O-N 3.36Å; L384-H386 VanDerWaalsContact C-N 3.3Å; L384-H386 PolarHBondContact O-N 3.35Å; L384-F387 WeakPolarHBondContact O-CB 3.46Å; L384-F387 PolarHBondContact O-N 2.67Å; L384-F387 VanDerWaalsContact O-N 3.16Å; L384-L388 HydrophobicContact CD2-CD1 3.65Å; L384-L388 HydrophobicContact CD2-CG 4.34Å; L384-L388 HydrophobicContact CG-CD1 4.35Å; L384-L388 PolarHBondContact O-N 2.88Å; L384-F419 HydrophobicContact CD1-CZ 4.31Å; L384-F419 HydrophobicContact CD2-CE2 4.37Å; L384-F419 HydrophobicContact CD2-CZ 4.36Å; L384-L423 HydrophobicContact CD2-CD2 3.99Å
385L85.5Confident83.3Confident27 Ų2763.8 Ų63.814%0.14137%0.367CS..Hα-helixtrans-59.7-44.8176.5-70.5176.3000110.6V380 T381 Q382 F387 L388 S389 F422 L423 Q426V380-L385 HydrophobicContact CG1-CD2 4.39Å; V380-L385 HydrophobicContact CG1-CG 4.2Å; T381-L385 PolarHBondContact O-N 3.42Å; Q382-L385 PolarHBondContact O-N 3.24Å; L385-F387 PolarHBondContact O-N 2.61Å; L385-L388 PolarHBondContact O-N 3.11Å; L385-S389 WeakPolarHBondContact O-CB 3.25Å; L385-S389 PolarHBondContact O-N 2.91Å; L385-S389 PolarHBondContact O-OG 3.13Å; L385-F422 HydrophobicContact CD2-CE1 4.11Å; L385-L423 HydrophobicContact CD2-CD2 4.16Å; L385-Q426 HydrophobicContact CD2-CB 4.2Å
386H84.7Confident83.6Confident123 Ų12363.3 Ų63.357%0.56936%0.355SS*.Hα-helixtrans-62.9-40.9175-175.6-92.7000112.2Q382 S383 L384 S389Q382-H386 PolarHBondContact O-N 3.43Å; S383-H386 PolarHBondContact O-N 3.06Å; L384-H386 VanDerWaalsContact C-N 3.3Å; L384-H386 PolarHBondContact O-N 3.35Å; H386-S389 PolarHBondContact O-N 2.94Å
387F87.6Confident84.1Confident12 Ų1260.1 Ų60.15%0.05334%0.34CS..Hα-helixtrans-60.6-48.4177.1173.8-91.7000112.1Y362 A363 Y366 I370 S383 L384 L385 S389 R390 N393Y362-F387 HydrophobicContact CD1-CE2 4.27Å; Y362-F387 HydrophobicContact CE1-CD2 4.15Å; Y362-F387 AromaticContact CE1-CE2 3.94Å; Y362-F387 HydrophobicContact CE1-CE2 3.94Å; A363-F387 HydrophobicContact CB-CE2 4.14Å; A363-F387 HydrophobicContact CB-CZ 3.73Å; Y366-F387 HydrophobicContact CD1-CB 4.46Å; Y366-F387 AromaticContact CD1-CD1 3.58Å; Y366-F387 HydrophobicContact CD1-CD1 3.58Å; Y366-F387 AromaticContact CD1-CD2 3.9Å; Y366-F387 HydrophobicContact CD1-CD2 3.9Å; Y366-F387 AromaticContact CD1-CE1 3.68Å; Y366-F387 HydrophobicContact CD1-CE1 3.68Å; Y366-F387 AromaticContact CD1-CE2 3.99Å; Y366-F387 HydrophobicContact CD1-CE2 3.99Å; Y366-F387 AromaticContact CD1-CG 3.71Å; Y366-F387 HydrophobicContact CD1-CG 3.71Å; Y366-F387 AromaticContact CD1-CZ 3.89Å; Y366-F387 HydrophobicContact CD1-CZ 3.89Å; Y366-F387 HydrophobicContact CE1-CB 3.98Å; Y366-F387 AromaticContact CE1-CD1 3.81Å; Y366-F387 HydrophobicContact CE1-CD1 3.81Å; Y366-F387 HydrophobicContact CE1-CD2 4.21Å; Y366-F387 HydrophobicContact CE1-CE1 4.38Å; Y366-F387 AromaticContact CE1-CG 3.72Å; Y366-F387 HydrophobicContact CE1-CG 3.72Å; Y366-F387 HydrophobicContact CG-CE2 4.49Å; I370-F387 HydrophobicContact CD1-CD1 4.46Å; S383-F387 VanDerWaalsContact O-CB 3.31Å; S383-F387 WeakPolarHBondContact O-CB 3.26Å; S383-F387 PolarHBondContact O-N 3.05Å; L384-F387 WeakPolarHBondContact O-CB 3.46Å; L384-F387 PolarHBondContact O-N 2.67Å; L384-F387 VanDerWaalsContact O-N 3.16Å; L385-F387 PolarHBondContact O-N 2.61Å; F387-S389 VanDerWaalsContact C-N 3.34Å; F387-R390 PolarHBondContact O-N 3.35Å; F387-N393 HydrophobicContact CD1-CB 4.36Å; F387-N393 WeakPolarHBondContact CD2-ND2 3.48Å; F387-N393 HydrophobicContact CE1-CB 3.88Å; F387-N393 HydrophobicContact CE2-CB 4.19Å; F387-N393 VanDerWaalsContact CE2-ND2 3.33Å; F387-N393 WeakPolarHBondContact CE2-ND2 3.3Å; F387-N393 HydrophobicContact CZ-CB 3.77Å; F387-N393 WeakPolarHBondContact O-CB 3.47Å; F387-N393 PolarHBondContact O-ND2 3.48Å
388L86.1Confident84.4Confident2 Ų257.9 Ų57.91%0.0132%0.317CS..Hα-helixtrans-75.6-19.8179.5-67.3178.5000113.4L384 L385 R390 F397 L423 I427L384-L388 HydrophobicContact CD2-CD1 3.65Å; L384-L388 HydrophobicContact CD2-CG 4.34Å; L384-L388 HydrophobicContact CG-CD1 4.35Å; L384-L388 PolarHBondContact O-N 2.88Å; L385-L388 PolarHBondContact O-N 3.11Å; L388-R390 PolarHBondContact O-N 3.09Å; L388-F397 HydrophobicContact CD1-CD1 4.42Å; L388-F397 HydrophobicContact CD1-CE1 4.32Å; L388-F397 HydrophobicContact CD2-CB 3.82Å; L388-F397 HydrophobicContact CD2-CD1 3.69Å; L388-F397 HydrophobicContact CD2-CD2 4.29Å; L388-F397 HydrophobicContact CD2-CE1 4.34Å; L388-F397 HydrophobicContact CD2-CG 3.66Å; L388-L423 HydrophobicContact CD1-CD1 3.75Å; L388-L423 HydrophobicContact CD1-CD2 3.69Å; L388-L423 HydrophobicContact CD1-CG 4.38Å; L388-I427 HydrophobicContact CB-CD1 3.47Å; L388-I427 VanDerWaalsContact CB-CD1 3.47Å; L388-I427 HydrophobicContact CD1-CD1 4.44Å
389S83.7Confident84.6Confident73 Ų7359 Ų5951%0.5132%0.322SS..Hα-helixtrans-68.3-18.1174.4-62.40000113.1L385 H386 F387L385-S389 WeakPolarHBondContact O-CB 3.25Å; L385-S389 PolarHBondContact O-N 2.91Å; L385-S389 PolarHBondContact O-OG 3.13Å; H386-S389 PolarHBondContact O-N 2.94Å; F387-S389 VanDerWaalsContact C-N 3.34Å
390R83.9Confident84.8Confident128 Ų12854.5 Ų54.548%0.48329%0.293SS..SBendtrans-79.6129.6177.9-59.2179.391.8158.44.4110.1F387 L388 E392 N393F387-R390 PolarHBondContact O-N 3.35Å; L388-R390 PolarHBondContact O-N 3.09Å; R390-E392 PolarHBondContact O-N 3.45Å; R390-E392 VanDerWaalsContact O-N 3.15Å; R390-N393 PolarHBondContact O-N 3.41Å
391S80.4Confident85Confident79 Ų7952.2 Ų52.255%0.55228%0.279SS*.THydrogen-bonded Turntrans-61.3-24.9-176.647.50000114.6P395S391-P395 VanDerWaalsContact O-CD 3.25Å; S391-P395 WeakPolarHBondContact O-CD 3.44Å
392E84.9Confident85Confident129 Ų12951.6 Ų51.660%0.60327%0.273SS*.THydrogen-bonded Turntrans-77.9-29.5-178.2-65163.7-161.900112.8R390 P395R390-E392 PolarHBondContact O-N 3.45Å; R390-E392 VanDerWaalsContact O-N 3.15Å; E392-P395 WeakPolarHBondContact O-CD 3.48Å
393N86.8Confident85.2Confident3 Ų348.4 Ų48.42%0.01626%0.256CS..Hα-helixtrans-89-26.7-174.5-64.6-22.6000112.6F387 R390 I396 F397F387-N393 HydrophobicContact CD1-CB 4.36Å; F387-N393 WeakPolarHBondContact CD2-ND2 3.48Å; F387-N393 HydrophobicContact CE1-CB 3.88Å; F387-N393 HydrophobicContact CE2-CB 4.19Å; F387-N393 VanDerWaalsContact CE2-ND2 3.33Å; F387-N393 WeakPolarHBondContact CE2-ND2 3.3Å; F387-N393 HydrophobicContact CZ-CB 3.77Å; F387-N393 WeakPolarHBondContact O-CB 3.47Å; F387-N393 PolarHBondContact O-ND2 3.48Å; R390-N393 PolarHBondContact O-N 3.41Å; N393-I396 PolarHBondContact O-N 2.79Å; N393-F397 PolarHBondContact O-N 3.11Å
394L85.1Confident85.1Confident10 Ų1045.2 Ų45.25%0.05223%0.234CC..Hα-helixtrans-59.1-44.7-177.4-158.570.7000113I396 F397 C398 R429 F430 S433L394-I396 PolarHBondContact O-N 2.93Å; L394-F397 PolarHBondContact O-N 3.5Å; L394-C398 PolarHBondContact O-N 2.71Å; L394-C398 PolarHBondContact O-SG 3.09Å; L394-C398 VanDerWaalsContact O-SG 3.36Å; L394-R429 HydrophobicContact CD2-CB 4.09Å; L394-F430 HydrophobicContact CD1-CB 4.16Å; L394-F430 HydrophobicContact CD1-CD2 3.6Å; L394-F430 HydrophobicContact CD1-CE2 4.48Å; L394-F430 HydrophobicContact CD1-CG 4.29Å; L394-F430 HydrophobicContact CG-CD2 4.35Å; L394-S433 WeakPolarHBondContact CD2-OG 3.46Å
395P84.9Confident84.9Confident72 Ų7249 Ų4947%0.46825%0.25SS..Hα-helixtrans-65.1-38.7176.2-19.733.4000112.5S391 E392 C398 L399S391-P395 VanDerWaalsContact O-CD 3.25Å; S391-P395 WeakPolarHBondContact O-CD 3.44Å; E392-P395 WeakPolarHBondContact O-CD 3.48Å; P395-C398 PolarHBondContact O-N 2.88Å; P395-L399 WeakPolarHBondContact O-CG 3.29Å; P395-L399 PolarHBondContact O-N 2.99Å
396I85.9Confident84.8Confident31 Ų3156 Ų5616%0.15928%0.279CS..Hα-helixtrans-62.2-47.4178.8-58.6175000109.5A363 E364 N393 L394 C398 L399 T400A363-I396 HydrophobicContact CB-CB 4.4Å; A363-I396 HydrophobicContact CB-CD1 3.66Å; A363-I396 HydrophobicContact CB-CG2 4Å; E364-I396 HydrophobicContact CG-CG2 3.64Å; N393-I396 PolarHBondContact O-N 2.79Å; L394-I396 PolarHBondContact O-N 2.93Å; I396-C398 PolarHBondContact O-N 3.45Å; I396-L399 WeakPolarHBondContact O-CB 3.33Å; I396-L399 PolarHBondContact O-N 3.13Å; I396-L399 VanDerWaalsContact O-N 3.15Å; I396-T400 PolarHBondContact O-N 3.08Å; I396-T400 PolarHBondContact O-OG1 3.29Å
397F88.4Confident84.4Confident1 Ų153.5 Ų53.50%0.00427%0.27CS..Hα-helixtrans-61.6-41.8176.3-177-117.8000112.5I370 I371 L388 N393 L394 L399 T400 L401 F419 L423 F430I370-F397 HydrophobicContact CB-CE2 4.2Å; I370-F397 HydrophobicContact CD1-CE2 4.38Å; I370-F397 HydrophobicContact CG2-CE2 3.48Å; I370-F397 VanDerWaalsContact CG2-CE2 3.48Å; I370-F397 HydrophobicContact CG2-CZ 3.81Å; I371-F397 HydrophobicContact CG1-CE2 4.46Å; L388-F397 HydrophobicContact CD1-CD1 4.42Å; L388-F397 HydrophobicContact CD1-CE1 4.32Å; L388-F397 HydrophobicContact CD2-CB 3.82Å; L388-F397 HydrophobicContact CD2-CD1 3.69Å; L388-F397 HydrophobicContact CD2-CD2 4.29Å; L388-F397 HydrophobicContact CD2-CE1 4.34Å; L388-F397 HydrophobicContact CD2-CG 3.66Å; N393-F397 PolarHBondContact O-N 3.11Å; L394-F397 PolarHBondContact O-N 3.5Å; F397-L399 VanDerWaalsContact C-N 3.33Å; F397-L399 PolarHBondContact O-N 3.26Å; F397-T400 WeakPolarHBondContact O-CB 3.31Å; F397-T400 PolarHBondContact O-N 3.05Å; F397-T400 VanDerWaalsContact O-N 3.17Å; F397-L401 HydrophobicContact CD1-CD1 4.06Å; F397-L401 HydrophobicContact CE1-CD1 3.68Å; F397-L401 HydrophobicContact CE1-CG 4.21Å; F397-L401 HydrophobicContact CE2-CG 4.46Å; F397-L401 HydrophobicContact CZ-CD1 4.07Å; F397-L401 HydrophobicContact CZ-CD2 4.21Å; F397-L401 HydrophobicContact CZ-CG 4.13Å; F397-L401 PolarHBondContact O-N 3.34Å; F397-F419 HydrophobicContact CZ-CE1 4.26Å; F397-L423 HydrophobicContact CE1-CD1 4.03Å; F397-L423 HydrophobicContact CZ-CD1 4.44Å; F397-F430 AromaticContact CD1-CE2 3.72Å; F397-F430 HydrophobicContact CD1-CE2 3.72Å; F397-F430 HydrophobicContact CD1-CZ 4.17Å; F397-F430 AromaticContact CE1-CE2 3.78Å; F397-F430 HydrophobicContact CE1-CE2 3.78Å; F397-F430 AromaticContact CE1-CZ 3.73Å; F397-F430 HydrophobicContact CE1-CZ 3.73Å
398C85Confident83.9Confident2 Ų260.9 Ų60.91%0.01431%0.305CS..Hα-helixtrans-60.4-40.4173.5-73.20000112.3L394 P395 I396 T400 L401 I402L394-C398 PolarHBondContact O-N 2.71Å; L394-C398 PolarHBondContact O-SG 3.09Å; L394-C398 VanDerWaalsContact O-SG 3.36Å; P395-C398 PolarHBondContact O-N 2.88Å; I396-C398 PolarHBondContact O-N 3.45Å; C398-T400 VanDerWaalsContact C-N 3.33Å; C398-T400 PolarHBondContact O-N 2.78Å; C398-L401 WeakPolarHBondContact O-CB 3.43Å; C398-L401 PolarHBondContact O-N 2.91Å; C398-I402 WeakPolarHBondContact O-CG1 3.49Å; C398-I402 PolarHBondContact O-N 3.42Å
399L86Confident83.3Confident99 Ų9962.1 Ų62.152%0.51831%0.311SS..Hα-helixtrans-63.3-39.6174.4-70.6168.2000111.5P395 I396 F397 L401 I402 K403P395-L399 WeakPolarHBondContact O-CG 3.29Å; P395-L399 PolarHBondContact O-N 2.99Å; I396-L399 WeakPolarHBondContact O-CB 3.33Å; I396-L399 PolarHBondContact O-N 3.13Å; I396-L399 VanDerWaalsContact O-N 3.15Å; F397-L399 VanDerWaalsContact C-N 3.33Å; F397-L399 PolarHBondContact O-N 3.26Å; L399-L401 VanDerWaalsContact C-N 3.35Å; L399-I402 PolarHBondContact O-N 3.41Å; L399-K403 WeakPolarHBondContact O-CG 3.45Å; L399-K403 PolarHBondContact O-N 2.86Å
400T85.3Confident82.6Confident11 Ų1159.8 Ų59.87%0.06729%0.293CS..Hα-helixtrans-64.2-39.5174.5-30.80000111.6L334 S367 I371 I396 F397 C398 K403 A404L334-T400 HydrophobicContact CD1-CG2 4.17Å; L334-T400 HydrophobicContact CD2-CG2 4.03Å; S367-T400 WeakPolarHBondContact CB-OG1 3.49Å; I371-T400 HydrophobicContact CD1-CG2 3.93Å; I396-T400 PolarHBondContact O-N 3.08Å; I396-T400 PolarHBondContact O-OG1 3.29Å; F397-T400 WeakPolarHBondContact O-CB 3.31Å; F397-T400 PolarHBondContact O-N 3.05Å; F397-T400 VanDerWaalsContact O-N 3.17Å; C398-T400 VanDerWaalsContact C-N 3.33Å; C398-T400 PolarHBondContact O-N 2.78Å; T400-K403 PolarHBondContact O-N 3.48Å; T400-A404 WeakPolarHBondContact O-CB 3.35Å; T400-A404 PolarHBondContact O-N 3.33Å
401L85.6Confident81.3Confident3 Ų356 Ų562%0.01629%0.294CS..Hα-helixtrans-63.3-39.7173.8-74172.3000112.4I371 F397 C398 L399 A404 K405 L410 L420 F430 L434 L439I371-L401 HydrophobicContact CD1-CD2 4.29Å; F397-L401 HydrophobicContact CD1-CD1 4.06Å; F397-L401 HydrophobicContact CE1-CD1 3.68Å; F397-L401 HydrophobicContact CE1-CG 4.21Å; F397-L401 HydrophobicContact CE2-CG 4.46Å; F397-L401 HydrophobicContact CZ-CD1 4.07Å; F397-L401 HydrophobicContact CZ-CD2 4.21Å; F397-L401 HydrophobicContact CZ-CG 4.13Å; F397-L401 PolarHBondContact O-N 3.34Å; C398-L401 WeakPolarHBondContact O-CB 3.43Å; C398-L401 PolarHBondContact O-N 2.91Å; L399-L401 VanDerWaalsContact C-N 3.35Å; L401-A404 PolarHBondContact O-N 3.45Å; L401-K405 WeakPolarHBondContact O-CB 3.49Å; L401-K405 PolarHBondContact O-N 3.39Å; L401-L410 HydrophobicContact CD2-CD1 4.29Å; L401-L410 HydrophobicContact CD2-CD2 4.29Å; L401-L410 WeakPolarHBondContact O-CD1 3.31Å; L401-L420 HydrophobicContact CD1-CD2 4.14Å; L401-L420 HydrophobicContact CD2-CD2 4.38Å; L401-F430 HydrophobicContact CD1-CE2 4.29Å; L401-F430 HydrophobicContact CD1-CZ 4.02Å; L401-L434 HydrophobicContact CD1-CD2 4.13Å; L401-L439 HydrophobicContact CB-CD1 3.95Å
402I84.2Confident80Confident55 Ų5560.8 Ų60.828%0.28231%0.307SS..Hα-helixtrans-61.8-45.6174.2-66.3167.8000110.5C398 L399 K405 K406 C437 L439C398-I402 WeakPolarHBondContact O-CG1 3.49Å; C398-I402 PolarHBondContact O-N 3.42Å; L399-I402 PolarHBondContact O-N 3.41Å; I402-K405 PolarHBondContact O-N 2.76Å; I402-K406 PolarHBondContact O-N 3.38Å; I402-K406 VanDerWaalsContact O-N 3.13Å; I402-C437 HydrophobicContact CD1-CB 4.37Å; I402-L439 HydrophobicContact CG1-CD1 3.95Å; I402-L439 HydrophobicContact CG1-CD2 3.99Å; I402-L439 HydrophobicContact CG1-CG 4.19Å
403K84.5Confident79Confident84 Ų8456 Ų5637%0.36529%0.293SS..Hα-helixtrans-60.8-45.6176-70.7176.7-179.31760110.8L334 E364 L399 T400 K405 K406 L407L334-K403 HydrophobicContact CD2-CB 3.58Å; E364-K403 IonicContact OE1-NZ 3.27Å; L399-K403 WeakPolarHBondContact O-CG 3.45Å; L399-K403 PolarHBondContact O-N 2.86Å; T400-K403 PolarHBondContact O-N 3.48Å; K403-K405 VanDerWaalsContact C-N 3.32Å; K403-K405 PolarHBondContact O-N 3.46Å; K403-K406 WeakPolarHBondContact O-CB 3.43Å; K403-K406 PolarHBondContact O-N 3.25Å; K403-K406 VanDerWaalsContact O-N 3.17Å; K403-L407 WeakPolarHBondContact O-CG 3.31Å; K403-L407 PolarHBondContact O-N 3.26Å; K403-L407 VanDerWaalsContact O-N 3.09Å
404A82.9Confident78.3Confident0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-64.3-35.2178.600000113.1L334 I371 T400 L401 L407 E408 L409 L410L334-A404 HydrophobicContact CD1-CB 4.22Å; L334-A404 HydrophobicContact CD2-CB 4.47Å; I371-A404 HydrophobicContact CD1-CB 3.8Å; T400-A404 WeakPolarHBondContact O-CB 3.35Å; T400-A404 PolarHBondContact O-N 3.33Å; L401-A404 PolarHBondContact O-N 3.45Å; A404-L407 PolarHBondContact O-N 2.87Å; A404-E408 PolarHBondContact O-N 2.85Å; A404-L409 HydrophobicContact CB-CB 4.34Å; A404-L409 HydrophobicContact CB-CD1 4.31Å; A404-L409 PolarHBondContact O-N 3.33Å; A404-L409 VanDerWaalsContact O-N 3.08Å; A404-L410 HydrophobicContact CB-CD1 4.04Å; A404-L410 HydrophobicContact CB-CD2 4.23Å; A404-L410 HydrophobicContact CB-CG 3.97Å
405K81.8Confident77.9Confident86 Ų8663.5 Ų63.537%0.37434%0.336SS..Hα-helixtrans-63.1-42.6173.2-169.7176.1174.6179.10111.5L401 I402 K403 L407 E408 L410 L439 S441 L442L401-K405 WeakPolarHBondContact O-CB 3.49Å; L401-K405 PolarHBondContact O-N 3.39Å; I402-K405 PolarHBondContact O-N 2.76Å; K403-K405 VanDerWaalsContact C-N 3.32Å; K403-K405 PolarHBondContact O-N 3.46Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 2.97Å; K405-E408 PolarHBondContact O-N 3.21Å; K405-L410 HydrophobicContact CB-CD1 3.87Å; K405-L439 HydrophobicContact CD-CD2 3.97Å; K405-S441 PolarHBondContact NZ-OG 3.46Å; K405-L442 HydrophobicContact CD-CD2 4.27Å; K405-L442 HydrophobicContact CG-CD2 4.42Å
406K82.4Confident77.5Confident173 Ų17361 Ų6175%0.75232%0.319SS*.Hα-helixtrans-65.7-32176.9-73.5-176.9177.7-176.40112.8I402 K403 E408I402-K406 PolarHBondContact O-N 3.38Å; I402-K406 VanDerWaalsContact O-N 3.13Å; K403-K406 WeakPolarHBondContact O-CB 3.43Å; K403-K406 PolarHBondContact O-N 3.25Å; K403-K406 VanDerWaalsContact O-N 3.17Å; K406-E408 PolarHBondContact O-N 3.36Å
407L78Confident77.1Confident71 Ų7163.4 Ų63.437%0.37233%0.326SS..THydrogen-bonded Turntrans-83.68.7176.8-67.2168.7000113.3L334 E335 K403 A404 K405 L409L334-L407 HydrophobicContact CD2-CD1 4.09Å; L334-L407 HydrophobicContact CG-CD1 4.07Å; E335-L407 HydrophobicContact CG-CD1 3.99Å; E335-L407 HydrophobicContact CG-CD2 4.28Å; K403-L407 WeakPolarHBondContact O-CG 3.31Å; K403-L407 PolarHBondContact O-N 3.26Å; K403-L407 VanDerWaalsContact O-N 3.09Å; A404-L407 PolarHBondContact O-N 2.87Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 2.97Å; L407-L409 HydrophobicContact CB-CD1 3.87Å; L407-L409 HydrophobicContact CB-CG 3.78Å; L407-L409 HydrophobicContact CD1-CD1 4.04Å; L407-L409 PolarHBondContact O-N 3.04Å
408E77.1Confident76.6Confident167 Ų16767.6 Ų67.678%0.7835%0.348SS*.THydrogen-bonded Turntrans56.614.4-177.2-58.4-172.5163.400115.2A404 K405 K406 L410 G411A404-E408 PolarHBondContact O-N 2.85Å; K405-E408 PolarHBondContact O-N 3.21Å; K406-E408 PolarHBondContact O-N 3.36Å; E408-L410 PolarHBondContact O-N 3.39Å; E408-G411 PolarHBondContact O-N 2.89Å; E408-G411 VanDerWaalsContact O-N 3.17Å
409L71.7Confident76.6Confident28 Ų2868.2 Ų68.215%0.14735%0.35CS..THydrogen-bonded Turntrans-69-18-178.9-61.8172.9000113.4L334 T337 P338 A404 L407L334-L409 HydrophobicContact CD1-CD1 4.12Å; L334-L409 HydrophobicContact CG-CD1 4.08Å; L334-L409 WeakPolarHBondContact O-CD1 3.21Å; T337-L409 HydrophobicContact CG2-CD1 4.4Å; T337-L409 HydrophobicContact CG2-CD2 4.09Å; P338-L409 HydrophobicContact CB-CD2 4.12Å; P338-L409 HydrophobicContact CG-CD2 3.85Å; A404-L409 HydrophobicContact CB-CB 4.34Å; A404-L409 HydrophobicContact CB-CD1 4.31Å; A404-L409 PolarHBondContact O-N 3.33Å; A404-L409 VanDerWaalsContact O-N 3.08Å; L407-L409 HydrophobicContact CB-CD1 3.87Å; L407-L409 HydrophobicContact CB-CG 3.78Å; L407-L409 HydrophobicContact CD1-CD1 4.04Å; L407-L409 PolarHBondContact O-N 3.04Å
410L70.3Confident76.5Confident23 Ų2363.6 Ų63.612%0.1233%0.326CS..THydrogen-bonded Turntrans-96.72.8-179.4-56.5175000112.2L401 A404 K405 E408 I416 L442L401-L410 HydrophobicContact CD2-CD1 4.29Å; L401-L410 HydrophobicContact CD2-CD2 4.29Å; L401-L410 WeakPolarHBondContact O-CD1 3.31Å; A404-L410 HydrophobicContact CB-CD1 4.04Å; A404-L410 HydrophobicContact CB-CD2 4.23Å; A404-L410 HydrophobicContact CB-CG 3.97Å; K405-L410 HydrophobicContact CB-CD1 3.87Å; E408-L410 PolarHBondContact O-N 3.39Å; L410-I416 HydrophobicContact CD2-CD1 4.19Å; L410-I416 HydrophobicContact CD2-CG2 3.75Å; L410-L442 HydrophobicContact CB-CD2 3.95Å; L410-L442 HydrophobicContact CD1-CD1 3.83Å; L410-L442 HydrophobicContact CD1-CD2 3.85Å
411G55.6Low76.4Confident50 Ų5065.4 Ų65.452%0.51533%0.333SS..SBendtrans-77.7121.3179.600000113.1E408 G413E408-G411 PolarHBondContact O-N 2.89Å; E408-G411 VanDerWaalsContact O-N 3.17Å; G411-G413 PolarHBondContact O-N 3.31Å
412H54Low76.3Confident178 Ų17868.6 Ų68.682%0.82435%0.347SS*.SBendtrans71.4-4.5169.1-61.9-59000120.7V414H412-V414 PolarHBondContact O-N 2.83Å
413G63.7Low76.3Confident30 Ų3066 Ų6631%0.30933%0.334SS..  trans-75.5109.9175.500000113.9G411 N415 I416 R417G411-G413 PolarHBondContact O-N 3.31Å; G413-N415 PolarHBondContact O-N 3.39Å; G413-I416 PolarHBondContact O-N 3.15Å; G413-R417 PolarHBondContact O-N 3.3Å
414V72.7Confident76.2Confident86 Ų8662.3 Ų62.352%0.52132%0.319SS..Hα-helixtrans-52.6-37.8172.2176.40000111.2H412 I416 R417 L418H412-V414 PolarHBondContact O-N 2.83Å; V414-I416 VanDerWaalsContact C-N 3.35Å; V414-I416 PolarHBondContact O-N 3.46Å; V414-R417 PolarHBondContact O-N 3.34Å; V414-L418 HydrophobicContact CG1-CD1 3.78Å; V414-L418 HydrophobicContact CG1-CG 4.17Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.36Å
415N75.4Confident76.1Confident83 Ų8366.9 Ų66.944%0.44434%0.34SS..Hα-helixtrans-60.3-39.3-179.8-63.5-13.1000113.5G413 F419G413-N415 PolarHBondContact O-N 3.39Å; N415-F419 VanDerWaalsContact O-CB 3.26Å; N415-F419 WeakPolarHBondContact O-CB 3.37Å; N415-F419 PolarHBondContact O-N 3.38Å
416I76.8Confident76.1Confident21 Ų2168 Ų6811%0.10835%0.347CS..Hα-helixtrans-72.4-38.6-178.5-63.8177.2000110.2L410 G413 V414 F419 L420L410-I416 HydrophobicContact CD2-CD1 4.19Å; L410-I416 HydrophobicContact CD2-CG2 3.75Å; G413-I416 PolarHBondContact O-N 3.15Å; V414-I416 VanDerWaalsContact C-N 3.35Å; V414-I416 PolarHBondContact O-N 3.46Å; I416-F419 PolarHBondContact O-N 2.86Å; I416-L420 HydrophobicContact CG2-CD1 4.19Å; I416-L420 HydrophobicContact CG2-CG 4.49Å; I416-L420 VanDerWaalsContact O-CG 3.31Å; I416-L420 WeakPolarHBondContact O-CG 3.47Å; I416-L420 PolarHBondContact O-N 3.23Å
417R77.7Confident76Confident81 Ų8160.3 Ų60.331%0.30631%0.314SS..Hα-helixtrans-63.6-50176-83.9-176.3-88.5164.6-5.9112.1G413 V414 F419 L420 E421 L442G413-R417 PolarHBondContact O-N 3.3Å; V414-R417 PolarHBondContact O-N 3.34Å; R417-F419 VanDerWaalsContact C-N 3.26Å; R417-F419 PolarHBondContact O-N 2.71Å; R417-L420 PolarHBondContact O-N 2.94Å; R417-E421 PolarHBondContact O-N 3Å; R417-L442 WeakPolarHBondContact CG-O 3.3Å
418L78.8Confident75.8Confident89 Ų8961.7 Ų61.747%0.46633%0.327SS..Hα-helixtrans-59.2-38.3175.3-68.7174.3000112.1V414 F422V414-L418 HydrophobicContact CG1-CD1 3.78Å; V414-L418 HydrophobicContact CG1-CG 4.17Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.36Å; L418-F422 WeakPolarHBondContact O-CB 3.34Å; L418-F422 PolarHBondContact O-N 3.34Å
419F83.9Confident75.9Confident14 Ų1461.4 Ų61.46%0.06132%0.319CS..Hα-helixtrans-65.7-46176.1172.2-113000112.4I370 F374 V380 L384 F397 N415 I416 R417 E421 F422 L423I370-F419 HydrophobicContact CG2-CE1 3.95Å; I370-F419 HydrophobicContact CG2-CZ 3.94Å; F374-F419 HydrophobicContact CB-CB 4.45Å; F374-F419 HydrophobicContact CB-CD1 4.17Å; F374-F419 HydrophobicContact CB-CG 4.19Å; F374-F419 HydrophobicContact CD1-CB 4.13Å; F374-F419 HydrophobicContact CD1-CD1 4.3Å; F374-F419 AromaticContact CD1-CD2 3.43Å; F374-F419 HydrophobicContact CD1-CD2 3.43Å; F374-F419 VanDerWaalsContact CD1-CD2 3.43Å; F374-F419 AromaticContact CD1-CE2 3.83Å; F374-F419 HydrophobicContact CD1-CE2 3.83Å; F374-F419 AromaticContact CD1-CG 3.68Å; F374-F419 HydrophobicContact CD1-CG 3.68Å; F374-F419 HydrophobicContact CD1-CZ 4.38Å; F374-F419 AromaticContact CD2-CD1 3.73Å; F374-F419 HydrophobicContact CD2-CD1 3.73Å; F374-F419 AromaticContact CD2-CD2 3.88Å; F374-F419 HydrophobicContact CD2-CD2 3.88Å; F374-F419 AromaticContact CD2-CE1 3.41Å; F374-F419 HydrophobicContact CD2-CE1 3.41Å; F374-F419 VanDerWaalsContact CD2-CE1 3.41Å; F374-F419 AromaticContact CD2-CE2 3.6Å; F374-F419 HydrophobicContact CD2-CE2 3.6Å; F374-F419 AromaticContact CD2-CG 3.94Å; F374-F419 HydrophobicContact CD2-CG 3.94Å; F374-F419 AromaticContact CD2-CZ 3.32Å; F374-F419 HydrophobicContact CD2-CZ 3.32Å; F374-F419 AromaticContact CE1-CD2 3.42Å; F374-F419 HydrophobicContact CE1-CD2 3.42Å; F374-F419 VanDerWaalsContact CE1-CD2 3.42Å; F374-F419 AromaticContact CE1-CE2 3.48Å; F374-F419 HydrophobicContact CE1-CE2 3.48Å; F374-F419 VanDerWaalsContact CE1-CE2 3.48Å; F374-F419 HydrophobicContact CE1-CG 4.16Å; F374-F419 HydrophobicContact CE1-CZ 4.23Å; F374-F419 HydrophobicContact CE2-CD1 4.41Å; F374-F419 AromaticContact CE2-CD2 3.93Å; F374-F419 HydrophobicContact CE2-CD2 3.93Å; F374-F419 AromaticContact CE2-CE1 3.81Å; F374-F419 HydrophobicContact CE2-CE1 3.81Å; F374-F419 AromaticContact CE2-CE2 3.27Å; F374-F419 HydrophobicContact CE2-CE2 3.27Å; F374-F419 HydrophobicContact CE2-CG 4.44Å; F374-F419 AromaticContact CE2-CZ 3.18Å; F374-F419 HydrophobicContact CE2-CZ 3.18Å; F374-F419 HydrophobicContact CG-CB 4.23Å; F374-F419 AromaticContact CG-CD1 3.74Å; F374-F419 HydrophobicContact CG-CD1 3.74Å; F374-F419 AromaticContact CG-CD2 3.71Å; F374-F419 HydrophobicContact CG-CD2 3.71Å; F374-F419 AromaticContact CG-CE1 3.93Å; F374-F419 HydrophobicContact CG-CE1 3.93Å; F374-F419 AromaticContact CG-CE2 3.92Å; F374-F419 HydrophobicContact CG-CE2 3.92Å; F374-F419 AromaticContact CG-CG 3.6Å; F374-F419 HydrophobicContact CG-CG 3.6Å; F374-F419 HydrophobicContact CG-CZ 4Å; F374-F419 AromaticContact CZ-CD2 3.69Å; F374-F419 HydrophobicContact CZ-CD2 3.69Å; F374-F419 AromaticContact CZ-CE2 3.19Å; F374-F419 HydrophobicContact CZ-CE2 3.19Å; F374-F419 AromaticContact CZ-CZ 3.66Å; F374-F419 HydrophobicContact CZ-CZ 3.66Å; V380-F419 HydrophobicContact CG2-CD2 3.84Å; V380-F419 HydrophobicContact CG2-CE2 3.88Å; L384-F419 HydrophobicContact CD1-CZ 4.31Å; L384-F419 HydrophobicContact CD2-CE2 4.37Å; L384-F419 HydrophobicContact CD2-CZ 4.36Å; F397-F419 HydrophobicContact CZ-CE1 4.26Å; N415-F419 VanDerWaalsContact O-CB 3.26Å; N415-F419 WeakPolarHBondContact O-CB 3.37Å; N415-F419 PolarHBondContact O-N 3.38Å; I416-F419 PolarHBondContact O-N 2.86Å; R417-F419 VanDerWaalsContact C-N 3.26Å; R417-F419 PolarHBondContact O-N 2.71Å; F419-E421 VanDerWaalsContact C-N 3.33Å; F419-E421 PolarHBondContact O-N 3.37Å; F419-F422 PolarHBondContact O-N 2.95Å; F419-L423 HydrophobicContact CD1-CD1 4.14Å; F419-L423 HydrophobicContact CD2-CG 4.25Å; F419-L423 HydrophobicContact CE1-CD1 3.44Å; F419-L423 VanDerWaalsContact CE1-CD1 3.44Å; F419-L423 HydrophobicContact CE1-CG 4.17Å; F419-L423 HydrophobicContact CE2-CD1 3.89Å; F419-L423 HydrophobicContact CE2-CD2 3.96Å; F419-L423 HydrophobicContact CE2-CG 3.75Å; F419-L423 HydrophobicContact CZ-CD1 3.3Å; F419-L423 HydrophobicContact CZ-CD2 4.07Å; F419-L423 HydrophobicContact CZ-CG 3.73Å; F419-L423 WeakPolarHBondContact O-CG 3.21Å; F419-L423 PolarHBondContact O-N 3.44Å
420L83.9Confident76.4Confident3 Ų360 Ų602%0.01631%0.312CS..Hα-helixtrans-64.1-39.7177.3-70.3174.3000111.4L401 I416 R417 L423 C424 F430 L442 L443L401-L420 HydrophobicContact CD1-CD2 4.14Å; L401-L420 HydrophobicContact CD2-CD2 4.38Å; I416-L420 HydrophobicContact CG2-CD1 4.19Å; I416-L420 HydrophobicContact CG2-CG 4.49Å; I416-L420 VanDerWaalsContact O-CG 3.31Å; I416-L420 WeakPolarHBondContact O-CG 3.47Å; I416-L420 PolarHBondContact O-N 3.23Å; R417-L420 PolarHBondContact O-N 2.94Å; L420-L423 PolarHBondContact O-N 3.25Å; L420-C424 PolarHBondContact O-N 3.46Å; L420-C424 PolarHBondContact O-SG 3.29Å; L420-F430 HydrophobicContact CD2-CE1 3.99Å; L420-F430 HydrophobicContact CD2-CZ 3.85Å; L420-L442 HydrophobicContact CD1-CB 3.97Å; L420-L442 HydrophobicContact CD1-CD1 4.14Å; L420-L443 HydrophobicContact CB-CD2 3.97Å; L420-L443 HydrophobicContact CB-CG 4.5Å
421E83.1Confident76.8Confident48 Ų4861.7 Ų61.722%0.22432%0.318CS..Hα-helixtrans-58.6-51.1172.6179-176.1176.700110.8R417 F419 L423 C424 Q425 L443 E447R417-E421 PolarHBondContact O-N 3Å; F419-E421 VanDerWaalsContact C-N 3.33Å; F419-E421 PolarHBondContact O-N 3.37Å; E421-L423 VanDerWaalsContact C-N 3.32Å; E421-L423 PolarHBondContact O-N 3.17Å; E421-C424 PolarHBondContact O-N 2.71Å; E421-C424 VanDerWaalsContact O-N 3.1Å; E421-Q425 WeakPolarHBondContact O-CG 3.48Å; E421-Q425 PolarHBondContact O-N 3.39Å; E421-Q425 PolarHBondContact OE1-NE2 3.46Å; E421-L443 HydrophobicContact CB-CD2 4.22Å; E421-E447 WeakPolarHBondContact CG-O 3.32Å
422F83.7Confident77.9Confident70 Ų7064.3 Ų64.331%0.30732%0.32SS..Hα-helixtrans-57.1-43.9177.8176.6-98000112.2V380 L385 L418 F419 C424 Q425 Q426V380-F422 HydrophobicContact CB-CE1 4.17Å; V380-F422 HydrophobicContact CG1-CE1 3.98Å; V380-F422 HydrophobicContact CG2-CD1 4.07Å; V380-F422 HydrophobicContact CG2-CE1 4.03Å; L385-F422 HydrophobicContact CD2-CE1 4.11Å; L418-F422 WeakPolarHBondContact O-CB 3.34Å; L418-F422 PolarHBondContact O-N 3.34Å; F419-F422 PolarHBondContact O-N 2.95Å; F422-C424 PolarHBondContact O-N 3.29Å; F422-Q425 PolarHBondContact O-N 2.62Å; F422-Q426 HydrophobicContact CD1-CG 4.41Å; F422-Q426 HydrophobicContact CD2-CG 4.37Å; F422-Q426 HydrophobicContact CE1-CG 3.97Å; F422-Q426 HydrophobicContact CE2-CG 3.94Å; F422-Q426 HydrophobicContact CZ-CG 3.72Å; F422-Q426 WeakPolarHBondContact O-CG 3.47Å; F422-Q426 PolarHBondContact O-N 2.92Å
423L84.2Confident79.2Confident0 Ų057.2 Ų57.20%029%0.29CS..Hα-helixtrans-62.9-40.2175.8-74.8-176000112.5L384 L385 L388 F397 F419 L420 E421 Q425 Q426 I427 F430L384-L423 HydrophobicContact CD2-CD2 3.99Å; L385-L423 HydrophobicContact CD2-CD2 4.16Å; L388-L423 HydrophobicContact CD1-CD1 3.75Å; L388-L423 HydrophobicContact CD1-CD2 3.69Å; L388-L423 HydrophobicContact CD1-CG 4.38Å; F397-L423 HydrophobicContact CE1-CD1 4.03Å; F397-L423 HydrophobicContact CZ-CD1 4.44Å; F419-L423 HydrophobicContact CD1-CD1 4.14Å; F419-L423 HydrophobicContact CD2-CG 4.25Å; F419-L423 HydrophobicContact CE1-CD1 3.44Å; F419-L423 VanDerWaalsContact CE1-CD1 3.44Å; F419-L423 HydrophobicContact CE1-CG 4.17Å; F419-L423 HydrophobicContact CE2-CD1 3.89Å; F419-L423 HydrophobicContact CE2-CD2 3.96Å; F419-L423 HydrophobicContact CE2-CG 3.75Å; F419-L423 HydrophobicContact CZ-CD1 3.3Å; F419-L423 HydrophobicContact CZ-CD2 4.07Å; F419-L423 HydrophobicContact CZ-CG 3.73Å; F419-L423 WeakPolarHBondContact O-CG 3.21Å; F419-L423 PolarHBondContact O-N 3.44Å; L420-L423 PolarHBondContact O-N 3.25Å; E421-L423 VanDerWaalsContact C-N 3.32Å; E421-L423 PolarHBondContact O-N 3.17Å; L423-Q425 VanDerWaalsContact C-N 3.29Å; L423-Q425 PolarHBondContact O-N 3.15Å; L423-Q426 PolarHBondContact O-N 3.07Å; L423-I427 HydrophobicContact CD2-CD1 4.33Å; L423-I427 WeakPolarHBondContact O-CB 3.24Å; L423-I427 PolarHBondContact O-N 2.89Å; L423-F430 HydrophobicContact CB-CD1 3.62Å; L423-F430 HydrophobicContact CB-CE1 3.6Å; L423-F430 HydrophobicContact CD1-CD1 4.44Å; L423-F430 HydrophobicContact CD1-CE1 3.84Å; L423-F430 HydrophobicContact CD1-CZ 4.07Å; L423-F430 HydrophobicContact CG-CE1 4.43Å
424C82.7Confident79.9Confident7 Ų755.9 Ų55.95%0.04728%0.276CS..Hα-helixtrans-66.2-32.3176.9-65.40000112.3L420 E421 F422 F431 L434 P449L420-C424 PolarHBondContact O-N 3.46Å; L420-C424 PolarHBondContact O-SG 3.29Å; E421-C424 PolarHBondContact O-N 2.71Å; E421-C424 VanDerWaalsContact O-N 3.1Å; F422-C424 PolarHBondContact O-N 3.29Å; C424-F431 HydrophobicContact CB-CB 4.46Å; C424-L434 VanDerWaalsContact SG-CD1 3.57Å; C424-P449 HydrophobicContact CB-CG 3.37Å
425Q81Confident80.2Confident97 Ų9754.6 Ų54.645%0.45327%0.269SS..Hα-helixtrans-72-38.2175.7-68.6-179.510.900112.8E421 F422 L423E421-Q425 WeakPolarHBondContact O-CG 3.48Å; E421-Q425 PolarHBondContact O-N 3.39Å; E421-Q425 PolarHBondContact OE1-NE2 3.46Å; F422-Q425 PolarHBondContact O-N 2.62Å; L423-Q425 VanDerWaalsContact C-N 3.29Å; L423-Q425 PolarHBondContact O-N 3.15Å
426Q80.5Confident80.5Confident109 Ų10955 Ų5551%0.50928%0.278SS..Hα-helixtrans-86.1-30.6-177.4-65-63.7-20.600113.4L385 F422 L423L385-Q426 HydrophobicContact CD2-CB 4.2Å; F422-Q426 HydrophobicContact CD1-CG 4.41Å; F422-Q426 HydrophobicContact CD2-CG 4.37Å; F422-Q426 HydrophobicContact CE1-CG 3.97Å; F422-Q426 HydrophobicContact CE2-CG 3.94Å; F422-Q426 HydrophobicContact CZ-CG 3.72Å; F422-Q426 WeakPolarHBondContact O-CG 3.47Å; F422-Q426 PolarHBondContact O-N 2.92Å; L423-Q426 PolarHBondContact O-N 3.07Å
427I81.3Confident80.5Confident12 Ų1256.1 Ų56.16%0.06229%0.287CS..  trans-122.393.7-175.4-52.2177.9000109.3L388 L423 R429 F430L388-I427 HydrophobicContact CB-CD1 3.47Å; L388-I427 VanDerWaalsContact CB-CD1 3.47Å; L388-I427 HydrophobicContact CD1-CD1 4.44Å; L423-I427 HydrophobicContact CD2-CD1 4.33Å; L423-I427 WeakPolarHBondContact O-CB 3.24Å; L423-I427 PolarHBondContact O-N 2.89Å; I427-R429 VanDerWaalsContact C-N 3.27Å; I427-R429 PolarHBondContact O-N 3.23Å; I427-R429 VanDerWaalsContact O-N 3.16Å; I427-F430 HydrophobicContact CB-CB 3.99Å; I427-F430 HydrophobicContact CG2-CB 3.95Å; I427-F430 VanDerWaalsContact O-CB 3.25Å; I427-F430 WeakPolarHBondContact O-CB 3.37Å; I427-F430 PolarHBondContact O-N 3.23Å
428P74.2Confident80.5Confident99 Ų9960.2 Ų60.264%0.64331%0.31SS*.Hα-helixtrans-56.6-37.5-175.1-27.334.2000114.1F430 F431P428-F430 PolarHBondContact O-N 3.24Å; P428-F431 PolarHBondContact O-N 3.01Å
429R78.7Confident80.2Confident161 Ų16156.2 Ų56.261%0.60829%0.289SS*.Hα-helixtrans-67.9-20.4179.1-66.3-177179.1172-0.7113.8L394 I427 S433L394-R429 HydrophobicContact CD2-CB 4.09Å; I427-R429 VanDerWaalsContact C-N 3.27Å; I427-R429 PolarHBondContact O-N 3.23Å; I427-R429 VanDerWaalsContact O-N 3.16Å; R429-S433 WeakPolarHBondContact O-CB 3.42Å; R429-S433 PolarHBondContact O-N 3.02Å; R429-S433 PolarHBondContact O-OG 3.47Å
430F81.7Confident79.7Confident0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-69.3-38.5-179.6-177-122.8000110.9L394 F397 L401 L420 L423 I427 P428 S433 L434L394-F430 HydrophobicContact CD1-CB 4.16Å; L394-F430 HydrophobicContact CD1-CD2 3.6Å; L394-F430 HydrophobicContact CD1-CE2 4.48Å; L394-F430 HydrophobicContact CD1-CG 4.29Å; L394-F430 HydrophobicContact CG-CD2 4.35Å; F397-F430 AromaticContact CD1-CE2 3.72Å; F397-F430 HydrophobicContact CD1-CE2 3.72Å; F397-F430 HydrophobicContact CD1-CZ 4.17Å; F397-F430 AromaticContact CE1-CE2 3.78Å; F397-F430 HydrophobicContact CE1-CE2 3.78Å; F397-F430 AromaticContact CE1-CZ 3.73Å; F397-F430 HydrophobicContact CE1-CZ 3.73Å; L401-F430 HydrophobicContact CD1-CE2 4.29Å; L401-F430 HydrophobicContact CD1-CZ 4.02Å; L420-F430 HydrophobicContact CD2-CE1 3.99Å; L420-F430 HydrophobicContact CD2-CZ 3.85Å; L423-F430 HydrophobicContact CB-CD1 3.62Å; L423-F430 HydrophobicContact CB-CE1 3.6Å; L423-F430 HydrophobicContact CD1-CD1 4.44Å; L423-F430 HydrophobicContact CD1-CE1 3.84Å; L423-F430 HydrophobicContact CD1-CZ 4.07Å; L423-F430 HydrophobicContact CG-CE1 4.43Å; I427-F430 HydrophobicContact CB-CB 3.99Å; I427-F430 HydrophobicContact CG2-CB 3.95Å; I427-F430 VanDerWaalsContact O-CB 3.25Å; I427-F430 WeakPolarHBondContact O-CB 3.37Å; I427-F430 PolarHBondContact O-N 3.23Å; P428-F430 PolarHBondContact O-N 3.24Å; F430-S433 PolarHBondContact O-N 3.09Å; F430-L434 HydrophobicContact CD1-CD1 3.85Å; F430-L434 HydrophobicContact CD1-CG 4.42Å; F430-L434 HydrophobicContact CD2-CG 4.39Å; F430-L434 HydrophobicContact CE1-CD1 3.48Å; F430-L434 VanDerWaalsContact CE1-CD1 3.48Å; F430-L434 HydrophobicContact CE1-CG 4.09Å; F430-L434 HydrophobicContact CE2-CD1 4.35Å; F430-L434 HydrophobicContact CE2-CD2 4.2Å; F430-L434 HydrophobicContact CE2-CG 4.05Å; F430-L434 HydrophobicContact CG-CD1 4.45Å; F430-L434 HydrophobicContact CZ-CD1 3.76Å; F430-L434 HydrophobicContact CZ-CD2 3.96Å; F430-L434 HydrophobicContact CZ-CG 3.9Å; F430-L434 WeakPolarHBondContact O-CG 3.39Å; F430-L434 PolarHBondContact O-N 2.84Å
431F79.3Confident79.2Confident58 Ų5861 Ų6125%0.25432%0.321SS..Hα-helixtrans-61.4-45.8175.2-176.9-95.7000111.9C424 P428 S433 L434 T435 L440 P449C424-F431 HydrophobicContact CB-CB 4.46Å; P428-F431 PolarHBondContact O-N 3.01Å; F431-S433 VanDerWaalsContact C-N 3.27Å; F431-S433 PolarHBondContact O-N 3.5Å; F431-L434 PolarHBondContact O-N 2.86Å; F431-T435 WeakPolarHBondContact O-CB 3.35Å; F431-T435 PolarHBondContact O-N 3.24Å; F431-T435 PolarHBondContact O-OG1 2.89Å; F431-L440 HydrophobicContact CE2-CD2 3.81Å; F431-L440 HydrophobicContact CZ-CD2 4.04Å; F431-P449 HydrophobicContact CD2-CG 3.85Å; F431-P449 HydrophobicContact CE2-CG 4.25Å
432D78.7Confident78.6Confident105 Ų10560 Ų6056%0.56132%0.317SS*.Hα-helixtrans-60.4-40.3175.6-63.3-29.7000111.3T435 S436D432-T435 WeakPolarHBondContact O-CB 3.39Å; D432-T435 PolarHBondContact O-N 3.38Å; D432-S436 WeakPolarHBondContact O-CB 3.46Å; D432-S436 PolarHBondContact O-N 3.25Å
433S80.3Confident78.1Confident28 Ų2856.8 Ų56.820%0.19630%0.303CS..Hα-helixtrans-67.7-44.4179-58.40000111.8L394 R429 F430 F431 T435 S436 C437L394-S433 WeakPolarHBondContact CD2-OG 3.46Å; R429-S433 WeakPolarHBondContact O-CB 3.42Å; R429-S433 PolarHBondContact O-N 3.02Å; R429-S433 PolarHBondContact O-OG 3.47Å; F430-S433 PolarHBondContact O-N 3.09Å; F431-S433 VanDerWaalsContact C-N 3.27Å; F431-S433 PolarHBondContact O-N 3.5Å; S433-T435 VanDerWaalsContact C-N 3.26Å; S433-T435 PolarHBondContact O-N 3Å; S433-S436 WeakPolarHBondContact CA-OG 3.42Å; S433-S436 PolarHBondContact O-N 3.03Å; S433-S436 PolarHBondContact O-OG 2.84Å; S433-C437 WeakPolarHBondContact O-CB 3.42Å; S433-C437 PolarHBondContact O-N 3.31Å; S433-C437 PolarHBondContact O-SG 3.42Å; S433-C437 VanDerWaalsContact O-SG 3.34Å
434L80.1Confident77.2Confident2 Ų259.1 Ų59.11%0.0132%0.319CS..Hα-helixtrans-60.1-37.4173.4-75.6173.5000112.1L401 C424 F430 F431 C437 Q438 L439 L443L401-L434 HydrophobicContact CD1-CD2 4.13Å; C424-L434 VanDerWaalsContact SG-CD1 3.57Å; F430-L434 HydrophobicContact CD1-CD1 3.85Å; F430-L434 HydrophobicContact CD1-CG 4.42Å; F430-L434 HydrophobicContact CD2-CG 4.39Å; F430-L434 HydrophobicContact CE1-CD1 3.48Å; F430-L434 VanDerWaalsContact CE1-CD1 3.48Å; F430-L434 HydrophobicContact CE1-CG 4.09Å; F430-L434 HydrophobicContact CE2-CD1 4.35Å; F430-L434 HydrophobicContact CE2-CD2 4.2Å; F430-L434 HydrophobicContact CE2-CG 4.05Å; F430-L434 HydrophobicContact CG-CD1 4.45Å; F430-L434 HydrophobicContact CZ-CD1 3.76Å; F430-L434 HydrophobicContact CZ-CD2 3.96Å; F430-L434 HydrophobicContact CZ-CG 3.9Å; F430-L434 WeakPolarHBondContact O-CG 3.39Å; F430-L434 PolarHBondContact O-N 2.84Å; F431-L434 PolarHBondContact O-N 2.86Å; L434-C437 PolarHBondContact O-N 3.4Å; L434-Q438 PolarHBondContact O-N 3.39Å; L434-L439 HydrophobicContact CD2-CB 3.69Å; L434-L439 HydrophobicContact CD2-CD1 3.89Å; L434-L439 HydrophobicContact CD2-CG 4.49Å; L434-L439 PolarHBondContact O-N 2.97Å; L434-L443 HydrophobicContact CD1-CD1 4.4Å
435T78.7Confident76.4Confident60 Ų6064.8 Ų64.837%0.36835%0.349SS..Hα-helixtrans-65-48.4175.5-53.70000110.8F431 D432 S433 C437 Q438 L440F431-T435 WeakPolarHBondContact O-CB 3.35Å; F431-T435 PolarHBondContact O-N 3.24Å; F431-T435 PolarHBondContact O-OG1 2.89Å; D432-T435 WeakPolarHBondContact O-CB 3.39Å; D432-T435 PolarHBondContact O-N 3.38Å; S433-T435 VanDerWaalsContact C-N 3.26Å; S433-T435 PolarHBondContact O-N 3Å; T435-C437 VanDerWaalsContact C-N 3.26Å; T435-C437 PolarHBondContact O-N 3.42Å; T435-Q438 PolarHBondContact O-N 3.48Å; T435-L440 HydrophobicContact CG2-CD1 3.67Å; T435-L440 WeakPolarHBondContact OG1-CD1 3.43Å
436S80.1Confident75.4Confident91 Ų9169.2 Ų69.264%0.63637%0.37SS*.Hα-helixtrans-62.5-31.6178.1740000113.3D432 S433D432-S436 WeakPolarHBondContact O-CB 3.46Å; D432-S436 PolarHBondContact O-N 3.25Å; S433-S436 WeakPolarHBondContact CA-OG 3.42Å; S433-S436 PolarHBondContact O-N 3.03Å; S433-S436 PolarHBondContact O-OG 2.84Å
437C77.1Confident74.5Confident44 Ų4465.5 Ų65.530%0.29735%0.352SS..THydrogen-bonded Turntrans-89.46.8179-64.70000114.2I402 S433 L434 T435 L439I402-C437 HydrophobicContact CD1-CB 4.37Å; S433-C437 WeakPolarHBondContact O-CB 3.42Å; S433-C437 PolarHBondContact O-N 3.31Å; S433-C437 PolarHBondContact O-SG 3.42Å; S433-C437 VanDerWaalsContact O-SG 3.34Å; L434-C437 PolarHBondContact O-N 3.4Å; T435-C437 VanDerWaalsContact C-N 3.26Å; T435-C437 PolarHBondContact O-N 3.42Å; C437-L439 HydrophobicContact CB-CD1 3.96Å; C437-L439 HydrophobicContact CB-CG 4.04Å; C437-L439 PolarHBondContact O-N 2.85Å
438Q77.7Confident73.8Confident168 Ų16868.9 Ų68.979%0.78536%0.364SS*.THydrogen-bonded Turntrans56.728.1-176.9-56.5-179.5-4.400114.3L434 T435L434-Q438 PolarHBondContact O-N 3.39Å; T435-Q438 PolarHBondContact O-N 3.48Å
439L74.2Confident73.1Confident5 Ų565.5 Ų65.53%0.02634%0.342CS..  trans-94.41.5-177.7-71.8175.1000113.9L401 I402 K405 L434 C437 S441 L442L401-L439 HydrophobicContact CB-CD1 3.95Å; I402-L439 HydrophobicContact CG1-CD1 3.95Å; I402-L439 HydrophobicContact CG1-CD2 3.99Å; I402-L439 HydrophobicContact CG1-CG 4.19Å; K405-L439 HydrophobicContact CD-CD2 3.97Å; L434-L439 HydrophobicContact CD2-CB 3.69Å; L434-L439 HydrophobicContact CD2-CD1 3.89Å; L434-L439 HydrophobicContact CD2-CG 4.49Å; L434-L439 PolarHBondContact O-N 2.97Å; C437-L439 HydrophobicContact CB-CD1 3.96Å; C437-L439 HydrophobicContact CB-CG 4.04Å; C437-L439 PolarHBondContact O-N 2.85Å; L439-S441 PolarHBondContact O-N 3.23Å; L439-L442 HydrophobicContact CB-CD1 4.2Å; L439-L442 HydrophobicContact CD2-CD1 4.04Å; L439-L442 WeakPolarHBondContact O-CB 3.48Å; L439-L442 WeakPolarHBondContact O-CG 3.48Å; L439-L442 PolarHBondContact O-N 3.03Å
440L73.4Confident72Confident40 Ų4068.6 Ų68.621%0.20935%0.354CS..G310 helixtrans-55.8-21.2176.6-92.2157.8000114.7F431 T435 L442 L443 R448F431-L440 HydrophobicContact CE2-CD2 3.81Å; F431-L440 HydrophobicContact CZ-CD2 4.04Å; T435-L440 HydrophobicContact CG2-CD1 3.67Å; T435-L440 WeakPolarHBondContact OG1-CD1 3.43Å; L440-L442 PolarHBondContact O-N 3.32Å; L440-L443 PolarHBondContact O-N 3.44Å; L440-R448 HydrophobicContact CD2-CG 4.24Å
441S72.4Confident70.3Confident78 Ų7873.6 Ų73.655%0.54539%0.387SS..G310 helixtrans-64.9-14.9173.845.50000113.9K405 L439 L443K405-S441 PolarHBondContact NZ-OG 3.46Å; L439-S441 PolarHBondContact O-N 3.23Å; S441-L443 VanDerWaalsContact C-N 3.3Å
442L70.7Confident68.6Low25 Ų2580.9 Ų80.913%0.13141%0.412CS..G310 helixtrans-76.3-17.1175.5-65.4174000113.2K405 L410 R417 L420 L439 L440K405-L442 HydrophobicContact CD-CD2 4.27Å; K405-L442 HydrophobicContact CG-CD2 4.42Å; L410-L442 HydrophobicContact CB-CD2 3.95Å; L410-L442 HydrophobicContact CD1-CD1 3.83Å; L410-L442 HydrophobicContact CD1-CD2 3.85Å; R417-L442 WeakPolarHBondContact CG-O 3.3Å; L420-L442 HydrophobicContact CD1-CB 3.97Å; L420-L442 HydrophobicContact CD1-CD1 4.14Å; L439-L442 HydrophobicContact CB-CD1 4.2Å; L439-L442 HydrophobicContact CD2-CD1 4.04Å; L439-L442 WeakPolarHBondContact O-CB 3.48Å; L439-L442 WeakPolarHBondContact O-CG 3.48Å; L439-L442 PolarHBondContact O-N 3.03Å; L440-L442 PolarHBondContact O-N 3.32Å
443L72Confident66.6Low4 Ų481 Ų812%0.02142%0.416CS..SBendtrans-110.1132.9178.7-69.4160.2000109.2L420 E421 L434 L440 S441 E447 R448L420-L443 HydrophobicContact CB-CD2 3.97Å; L420-L443 HydrophobicContact CB-CG 4.5Å; E421-L443 HydrophobicContact CB-CD2 4.22Å; L434-L443 HydrophobicContact CD1-CD1 4.4Å; L440-L443 PolarHBondContact O-N 3.44Å; S441-L443 VanDerWaalsContact C-N 3.3Å; L443-E447 HydrophobicContact CD2-CB 4.23Å; L443-R448 HydrophobicContact CB-CG 3.98Å; L443-R448 PolarHBondContact O-NH2 3.3Å
444S66.4Low64.5Low48 Ų4886 Ų8634%0.33644%0.436SS..  trans-67.1158.617163.60000111E446 E447 R448S444-E446 PolarHBondContact O-N 2.93Å; S444-E446 VanDerWaalsContact O-N 3.13Å; S444-E447 WeakPolarHBondContact CB-OE2 3.43Å; S444-E447 PolarHBondContact N-OE2 3.31Å; S444-E447 PolarHBondContact O-N 3.32Å; S444-E447 VanDerWaalsContact O-N 3.08Å; S444-E447 WeakPolarHBondContact OG-CG 3.44Å; S444-E447 PolarHBondContact OG-OE2 3.3Å; S444-R448 PolarHBondContact O-N 3.1Å; S444-R448 VanDerWaalsContact O-N 3.16Å
445D65.2Low62.4Low126 Ų12693.6 Ų93.667%0.67447%0.472SS*.THydrogen-bonded Turntrans-59.1-26.5-176.8-72.1-24.5000112.9R448D445-R448 IonicContact OD1-CZ 3.81Å; D445-R448 IonicContact OD1-NE 2.94Å; D445-R448 IonicContact OD1-NH1 3.75Å; D445-R448 PolarHBondContact OD1-NH1 3.28Å; D445-R448 IonicContact OD1-NH2 3.95Å; D445-R448 PolarHBondContact OD1-NH2 3.11Å
446E60.2Low60.1Low190 Ų19099.9 Ų99.989%0.88849%0.489SS*.THydrogen-bonded Turntrans-80.7-31.5175.9-62.7-158.8160.700113.9S444S444-E446 PolarHBondContact O-N 2.93Å; S444-E446 VanDerWaalsContact O-N 3.13Å
447E63Low57.8Low31 Ų31101.9 Ų101.915%0.14549%0.49CS..THydrogen-bonded Turntrans-84.7-12.1-178.4-68.3163.1159.400112.7E421 L443 S444E421-E447 WeakPolarHBondContact CG-O 3.32Å; L443-E447 HydrophobicContact CD2-CB 4.23Å; S444-E447 WeakPolarHBondContact CB-OE2 3.43Å; S444-E447 PolarHBondContact N-OE2 3.31Å; S444-E447 PolarHBondContact O-N 3.32Å; S444-E447 VanDerWaalsContact O-N 3.08Å; S444-E447 WeakPolarHBondContact OG-CG 3.44Å; S444-E447 PolarHBondContact OG-OE2 3.3Å
448R66.4Low55.6Low83 Ų83106.2 Ų106.231%0.31351%0.51SS..SBendtrans-62.7129.8172-72.7178.4-167.914522107.3L440 L443 S444 D445 R450L440-R448 HydrophobicContact CD2-CG 4.24Å; L443-R448 HydrophobicContact CB-CG 3.98Å; L443-R448 PolarHBondContact O-NH2 3.3Å; S444-R448 PolarHBondContact O-N 3.1Å; S444-R448 VanDerWaalsContact O-N 3.16Å; D445-R448 IonicContact OD1-CZ 3.81Å; D445-R448 IonicContact OD1-NE 2.94Å; D445-R448 IonicContact OD1-NH1 3.75Å; D445-R448 PolarHBondContact OD1-NH1 3.28Å; D445-R448 IonicContact OD1-NH2 3.95Å; D445-R448 PolarHBondContact OD1-NH2 3.11Å; R448-R450 PolarHBondContact O-N 3.43Å
449P59.5Low53.5Low28 Ų28102 Ų10218%0.18250%0.498CS..PPolyproline II helixtrans-52.2118.7170.7-9.817.5000105.6C424 F431 P451C424-P449 HydrophobicContact CB-CG 3.37Å; F431-P449 HydrophobicContact CD2-CG 3.85Å; F431-P449 HydrophobicContact CE2-CG 4.25Å; P449-P451 VanDerWaalsContact O-N 3.09Å
450R54Low51.5Low227 Ų227109.6 Ų109.686%0.85753%0.533SS*.PPolyproline II helixtrans-47.1129.8157.4-66.6-176.4-173.1-174.31.9103.1R448 R452R448-R450 PolarHBondContact O-N 3.43Å; R450-R452 PolarHBondContact O-N 3.38Å
451P47.9Very low50.2Low105 Ų105113.3 Ų113.368%0.68256%0.558SS**PPolyproline II helixtrans-46.1121.9171.620.5-29.2000102.8P449 V453P449-P451 VanDerWaalsContact O-N 3.09Å; P451-V453 PolarHBondContact O-N 3.39Å
452R43.5Very low48.6Very low211 Ų211112.8 Ų112.880%0.79656%0.558SS**  trans-54.799.5150.2-79.1-172.1-177.6176.33.598.3R450 H454R450-R452 PolarHBondContact O-N 3.38Å; R452-H454 PolarHBondContact O-N 2.91Å
453V35.3Very low47.5Very low106 Ų106117.1 Ų117.164%0.64259%0.588SS**  trans-51.792.6152.5-178.9000097.2P451 E455P451-V453 PolarHBondContact O-N 3.39Å; V453-E455 HydrophobicContact CG1-CG 4.4Å; V453-E455 PolarHBondContact O-N 3.38Å
454H37.7Very low46.3Very low134 Ų134122.4 Ų122.462%0.6262%0.615SS**  trans-45.3106.5138.6-83.37.100098.8R452 R456R452-H454 PolarHBondContact O-N 2.91Å; H454-R456 HydrophobicContact CB-CB 4.3Å; H454-R456 HydrophobicContact CB-CG 4.2Å; H454-R456 CarbonylContact O-C 3.6Å; H454-R456 VanDerWaalsContact O-CA 3.3Å; H454-R456 WeakPolarHBondContact O-CA 3.49Å; H454-R456 PolarHBondContact O-N 2.88Å
455E35Very low45.2Very low162 Ų162124.6 Ų124.676%0.75763%0.628SS**  trans-56.255143-68178.9162.400107.2V453 M457V453-E455 HydrophobicContact CG1-CG 4.4Å; V453-E455 PolarHBondContact O-N 3.38Å; E455-M457 HydrophobicContact CB-CG 4.38Å; E455-M457 PolarHBondContact O-N 3.43Å
456R30.5Very low44.4Very low192 Ų192123.4 Ų123.473%0.72563%0.63SS**  -51.976.3101.5-63.9-171.7-171.8-1794.4106.3H454 D458H454-R456 HydrophobicContact CB-CB 4.3Å; H454-R456 HydrophobicContact CB-CG 4.2Å; H454-R456 CarbonylContact O-C 3.6Å; H454-R456 VanDerWaalsContact O-CA 3.3Å; H454-R456 WeakPolarHBondContact O-CA 3.49Å; H454-R456 PolarHBondContact O-N 2.88Å; R456-D458 PolarHBondContact O-N 2.99Å
457M31.2Very low43.6Very low133 Ų133118.2 Ų118.266%0.65562%0.619SS**  -46.694.9117.6-66.6-179100.400101.8E455 C459E455-M457 HydrophobicContact CB-CG 4.38Å; E455-M457 PolarHBondContact O-N 3.43Å; M457-C459 HydrophobicContact CB-CB 4.36Å; M457-C459 PolarHBondContact O-N 3.32Å
458D31.6Very low43Very low135 Ų135118.2 Ų118.272%0.72262%0.623SS**  -52.681125.3-67.7-27000102.3R456 E460R456-D458 PolarHBondContact O-N 2.99Å; D458-E460 PolarHBondContact O-N 3.39Å
459C33.8Very low42.1Very low78 Ų78119.7 Ų119.753%0.52763%0.633SS.*  trans-57.883.6143.4-80.8000099.7M457 V461M457-C459 HydrophobicContact CB-CB 4.36Å; M457-C459 PolarHBondContact O-N 3.32Å; C459-V461 PolarHBondContact O-N 3.11Å
460E32.1Very low41.6Very low166 Ų166122.5 Ų122.578%0.77665%0.653SS**  trans-40.9107.2133.5-78.1-166.6158.100101.8D458 A462D458-E460 PolarHBondContact O-N 3.39Å; E460-A462 PolarHBondContact O-N 2.95Å
461V45Very low41.2Very low118 Ų118115.3 Ų115.372%0.71564%0.637SS**  trans-64.973.6169.6178.70000102.7C459 P463 T489C459-V461 PolarHBondContact O-N 3.11Å; V461-P463 WeakPolarHBondContact O-CD 3.32Å; V461-T489 HydrophobicContact CG1-CG2 4.35Å
462A40.6Very low41.1Very low67 Ų67112.2 Ų112.255%0.55461%0.612SS**  trans-71.1120.4-173.400000103.2E460 L464E460-A462 PolarHBondContact O-N 2.95Å; A462-L464 PolarHBondContact O-N 3.37Å
463P46.4Very low41.3Very low116 Ų116109.7 Ų109.775%0.75361%0.607SS**  trans-55.6131.5174.524.4-30.8000106.9V461V461-P463 WeakPolarHBondContact O-CD 3.32Å
464L46.3Very low41.8Very low115 Ų115108.9 Ų108.960%0.60261%0.611SS**SBendtrans-21.8129.8-178.1-87.4142.5000113.9A462 R472A462-L464 PolarHBondContact O-N 3.37Å; L464-R472 VanDerWaalsContact CB-NH2 3.26Å; L464-R472 PolarHBondContact O-NH2 3.16Å
465P44.4Very low42.1Very low93 Ų93108.6 Ų108.660%0.60461%0.613SS**  trans-48.7140.9-164.6-5.1-1.6000113.9A467 S468P465-A467 PolarHBondContact O-N 3.45Å; P465-S468 PolarHBondContact O-N 3.01Å; P465-S468 PolarHBondContact O-OG 2.78Å
466S48.9Very low42.6Very low102 Ų102106.6 Ų106.671%0.71360%0.602SS**G310 helixtrans-49.6-21.9177.156.20000114.3S468 Q469S466-S468 PolarHBondContact O-N 2.9Å; S466-S468 VanDerWaalsContact O-N 3.07Å; S466-Q469 PolarHBondContact O-N 2.85Å; S466-Q469 VanDerWaalsContact O-N 3.08Å
467A43.5Very low43.5Very low80 Ų80108.1 Ų108.166%0.66161%0.614SS**G310 helixtrans-58.2-18.2173.200000114.3P465P465-A467 PolarHBondContact O-N 3.45Å
468S50.4Low44.4Very low32 Ų32104.5 Ų104.522%0.22460%0.597CS.*G310 helixtrans-88.5-7.1177.458.70000114.4P465 S466 S470 C471 R472P465-S468 PolarHBondContact O-N 3.01Å; P465-S468 PolarHBondContact O-OG 2.78Å; S466-S468 PolarHBondContact O-N 2.9Å; S466-S468 VanDerWaalsContact O-N 3.07Å; S468-S470 VanDerWaalsContact C-N 3.29Å; S468-S470 PolarHBondContact O-N 3.16Å; S468-C471 PolarHBondContact O-N 3.32Å; S468-R472 VanDerWaalsContact O-CB 3.25Å; S468-R472 WeakPolarHBondContact O-CB 3.47Å; S468-R472 WeakPolarHBondContact O-CG 3.26Å; S468-R472 PolarHBondContact O-N 3.17Å; S468-R472 PolarHBondContact OG-NE 3Å; S468-R472 PolarHBondContact OG-NH2 3.03Å
469Q47.3Very low45.3Very low114 Ų114100.3 Ų100.353%0.53359%0.586SS.*Hα-helixtrans-63-32179.8-95.9178.1-10.700113.8S466 K473S466-Q469 PolarHBondContact O-N 2.85Å; S466-Q469 VanDerWaalsContact O-N 3.08Å; Q469-K473 PolarHBondContact O-N 3.4Å
470S47.5Very low46.4Very low86 Ų8698.7 Ų98.760%0.60158%0.576SS**Hα-helixtrans-73.3-42.5175.7550000111.9S468 A474S468-S470 VanDerWaalsContact C-N 3.29Å; S468-S470 PolarHBondContact O-N 3.16Å; S470-A474 PolarHBondContact O-N 3.05Å
471C45.9Very low47.7Very low77 Ų7793.9 Ų93.952%0.5256%0.556SS.*Hα-helixtrans-67.9-36.6174.9-68.80000112.4S468 K473 A474 L475S468-C471 PolarHBondContact O-N 3.32Å; C471-K473 PolarHBondContact O-N 3Å; C471-A474 PolarHBondContact O-N 3.31Å; C471-L475 PolarHBondContact O-N 2.79Å; C471-L475 VanDerWaalsContact O-N 3.12Å
472R46.7Very low48.3Very low39 Ų3989.3 Ų89.315%0.14753%0.528CS..Hα-helixtrans-63.1-38.1178-76172.5-160.8-175.88.4112.3L464 S468 W483L464-R472 VanDerWaalsContact CB-NH2 3.26Å; L464-R472 PolarHBondContact O-NH2 3.16Å; S468-R472 VanDerWaalsContact O-CB 3.25Å; S468-R472 WeakPolarHBondContact O-CB 3.47Å; S468-R472 WeakPolarHBondContact O-CG 3.26Å; S468-R472 PolarHBondContact O-N 3.17Å; S468-R472 PolarHBondContact OG-NE 3Å; S468-R472 PolarHBondContact OG-NH2 3.03Å; R472-W483 HydrophobicContact CG-CG 4.34Å
473K47.9Very low49.1Very low159 Ų15991.5 Ų91.569%0.69152%0.522SS*.Hα-helixtrans-72.2-28.1175.4-77.9-178.2178.1178.60113.5Q469 C471Q469-K473 PolarHBondContact O-N 3.4Å; C471-K473 PolarHBondContact O-N 3Å
474A45.5Very low49.9Very low89 Ų8989.1 Ų89.174%0.73650%0.503SS*.Hα-helixtrans-82.2-31.8-178.500000113.2S470 C471S470-A474 PolarHBondContact O-N 3.05Å; C471-A474 PolarHBondContact O-N 3.31Å
475L44Very low50.7Low127 Ų12784 Ų8467%0.66548%0.476SS*.Hα-helixtrans-80.2-27.9-176.7-84.8159.5000114.3C471C471-L475 PolarHBondContact O-N 2.79Å; C471-L475 VanDerWaalsContact O-N 3.12Å
476F45.7Very low51.6Low120 Ų12083.1 Ų83.153%0.52647%0.469SS..  trans-139.6129.6179.2-64.5-80.5000111L478F476-L478 PolarHBondContact O-N 2.94Å
477K48.7Very low52.2Low225 Ų22580.7 Ų80.798%0.97846%0.46SS*.SBendtrans-62.55168.1-80.4-176.4175.8178.70113.8
478L49.7Very low53.4Low56 Ų5677.4 Ų77.429%0.29343%0.432SS..SBendtrans-109.6123.3174.6-70.6109.1000106.6F476F476-L478 PolarHBondContact O-N 2.94Å
479G51.4Low54.1Low48 Ų4879.9 Ų79.950%0.49545%0.446SS..  trans-58.6-166.7-17200000116.5N481 P482G479-N481 PolarHBondContact O-N 3.37Å; G479-P482 WeakPolarHBondContact O-CD 3.24Å
480S56Low55.3Low44 Ų4476.1 Ų76.131%0.30843%0.432SS..SBendtrans-51.7-27-171.5-320000116.1P482 W483 D484S480-P482 WeakPolarHBondContact O-CD 3.4Å; S480-W483 PolarHBondContact O-N 3.27Å; S480-D484 WeakPolarHBondContact CB-OD2 3.33Å; S480-D484 PolarHBondContact O-N 3.29Å
481N59.1Low56.3Low65 Ų6573 Ų7335%0.34841%0.41SS..Hα-helixtrans-53.1-38-165.6-565.3000116.8G479 W483 D484 M485 A501G479-N481 PolarHBondContact O-N 3.37Å; N481-W483 PolarHBondContact O-N 3.47Å; N481-D484 PolarHBondContact O-N 3.31Å; N481-M485 WeakPolarHBondContact O-CG 3.4Å; N481-M485 PolarHBondContact O-N 3.46Å; N481-A501 HydrophobicContact CB-CB 3.91Å; N481-A501 WeakPolarHBondContact ND2-CB 3.48Å
482P57.7Low57.6Low22 Ų2273.6 Ų73.614%0.14342%0.415CS..Hα-helixtrans-66.3-36.3-179.8-21.433.8000113.8G479 S480 M485 V486 F507G479-P482 WeakPolarHBondContact O-CD 3.24Å; S480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-M485 WeakPolarHBondContact O-CB 3.33Å; P482-M485 PolarHBondContact O-N 3.23Å; P482-V486 WeakPolarHBondContact O-CG2 3.2Å; P482-V486 PolarHBondContact O-N 2.91Å; P482-V486 VanDerWaalsContact O-N 3.08Å; P482-F507 HydrophobicContact CB-CE1 3.9Å; P482-F507 HydrophobicContact CB-CE2 3.87Å; P482-F507 HydrophobicContact CB-CZ 3.28Å; P482-F507 HydrophobicContact CG-CE1 4.4Å; P482-F507 HydrophobicContact CG-CE2 3.59Å; P482-F507 HydrophobicContact CG-CZ 3.34Å
483W58.9Low58.7Low113 Ų11376 Ų7643%0.42843%0.428SS..Hα-helixtrans-75.4-34.8179.8-71.7102.3000110.8R472 S480 N481 M485 V486 G487R472-W483 HydrophobicContact CG-CG 4.34Å; S480-W483 PolarHBondContact O-N 3.27Å; N481-W483 PolarHBondContact O-N 3.47Å; W483-M485 VanDerWaalsContact C-N 3.3Å; W483-V486 PolarHBondContact O-N 2.82Å; W483-G487 PolarHBondContact O-N 3.46Å
484D61.9Low59.8Low65 Ų6568.4 Ų68.435%0.34840%0.395SS..Hα-helixtrans-64.8-37.9172.9-55.7-30.4000110.1S480 N481 G487 C488 I497S480-D484 WeakPolarHBondContact CB-OD2 3.33Å; S480-D484 PolarHBondContact O-N 3.29Å; N481-D484 PolarHBondContact O-N 3.31Å; D484-G487 PolarHBondContact O-N 2.94Å; D484-C488 PolarHBondContact O-N 3.17Å; D484-C488 PolarHBondContact O-SG 3.5Å; D484-I497 HydrophobicContact CB-CD1 4.26Å
485M62.8Low61Low9 Ų969.3 Ų69.34%0.04438%0.382CS..Hα-helixtrans-63.4-41.2171.5-73.3177.262.500113.6N481 P482 W483 F494 I497 M498 A504 L535 F539N481-M485 WeakPolarHBondContact O-CG 3.4Å; N481-M485 PolarHBondContact O-N 3.46Å; P482-M485 WeakPolarHBondContact O-CB 3.33Å; P482-M485 PolarHBondContact O-N 3.23Å; W483-M485 VanDerWaalsContact C-N 3.3Å; M485-F494 HydrophobicContact CB-CD2 4.4Å; M485-F494 HydrophobicContact CB-CE2 4.04Å; M485-F494 HydrophobicContact CE-CE2 3.62Å; M485-F494 HydrophobicContact CE-CZ 3.73Å; M485-F494 HydrophobicContact CG-CE2 4.29Å; M485-I497 HydrophobicContact CG-CB 4.31Å; M485-I497 HydrophobicContact CG-CG2 3.47Å; M485-I497 VanDerWaalsContact CG-CG2 3.47Å; M485-I497 HydrophobicContact SD-CG2 4.45Å; M485-M498 HydrophobicContact CE-CE 3.87Å; M485-M498 HydrophobicContact CE-CG 3.73Å; M485-M498 HydrophobicContact CE-SD 4.01Å; M485-M498 HydrophobicContact SD-CG 4.42Å; M485-A504 HydrophobicContact SD-CB 4.29Å; M485-L535 HydrophobicContact CE-CD1 4.11Å; M485-F539 VanDerWaalsContact O-CZ 3.27Å; M485-F539 WeakPolarHBondContact O-CZ 3.4Å
486V63.2Low62.2Low74 Ų7465.6 Ų65.645%0.44837%0.367SS..Hα-helixtrans-72.2-29.9180173.50000112.3P482 W483 F539P482-V486 WeakPolarHBondContact O-CG2 3.2Å; P482-V486 PolarHBondContact O-N 2.91Å; P482-V486 VanDerWaalsContact O-N 3.08Å; W483-V486 PolarHBondContact O-N 2.82Å; V486-F539 HydrophobicContact CG2-CZ 4.21Å
487G63.4Low63.3Low51 Ų5161 Ų6153%0.52635%0.347SS..Hα-helixtrans-83.7-7177.100000115.1W483 D484 T489W483-G487 PolarHBondContact O-N 3.46Å; D484-G487 PolarHBondContact O-N 2.94Å; G487-T489 PolarHBondContact O-N 3.42Å
488C67.9Low64.1Low10 Ų1051.1 Ų51.17%0.06831%0.305CS..  trans-65.9124.6-178.2-80.50000112.4D484 F494 I497D484-C488 PolarHBondContact O-N 3.17Å; D484-C488 PolarHBondContact O-SG 3.5Å; C488-F494 HydrophobicContact CB-CB 4.13Å; C488-F494 HydrophobicContact CB-CD2 4.32Å; C488-I497 WeakPolarHBondContact SG-CD1 3.37Å
489T65.2Low64.8Low85 Ų8554.9 Ų54.952%0.52133%0.325SS..  trans-93.1-22.8171.2590000112V461 G487 W555V461-T489 HydrophobicContact CG1-CG2 4.35Å; G487-T489 PolarHBondContact O-N 3.42Å; T489-W555 PolarHBondContact O-NE1 3.07Å
490S71.4Confident65.4Low34 Ų3460.1 Ų60.124%0.23834%0.336CS..SBendtrans-106.2134.3-177.681.90000112.9S492 E493 F494S490-S492 VanDerWaalsContact C-N 3.3Å; S490-S492 PolarHBondContact O-N 2.86Å; S490-E493 PolarHBondContact O-N 2.92Å; S490-E493 WeakPolarHBondContact OG-CB 3.49Å; S490-E493 PolarHBondContact OG-N 3.37Å; S490-E493 PolarHBondContact OG-OE2 3.37Å; S490-F494 PolarHBondContact O-N 2.73Å; S490-F494 VanDerWaalsContact O-N 3.1Å
491P69.8Low65.6Low20 Ų2058.3 Ų58.313%0.1332%0.324CS..Hα-helixtrans-66-29178.9-20.530.3000114.4K495 N554 W555 A558P491-K495 WeakPolarHBondContact O-CB 3.44Å; P491-K495 PolarHBondContact O-N 3.34Å; P491-N554 HydrophobicContact CG-CB 4.39Å; P491-W555 HydrophobicContact CB-CD2 4.41Å; P491-W555 HydrophobicContact CG-CB 4.36Å; P491-W555 HydrophobicContact CG-CD2 3.94Å; P491-W555 HydrophobicContact CG-CG 3.81Å; P491-A558 HydrophobicContact CB-CB 3.14Å; P491-A558 HydrophobicContact CG-CB 3.61Å
492S72.4Confident65.4Low90 Ų9061.1 Ų61.163%0.62934%0.339SS*.Hα-helixtrans-68.3-43.1178.244.60000112S490 K495 S496S490-S492 VanDerWaalsContact C-N 3.3Å; S490-S492 PolarHBondContact O-N 2.86Å; S492-K495 PolarHBondContact O-N 3.19Å; S492-S496 PolarHBondContact O-N 3.37Å
493E71.2Confident65.2Low89 Ų8961.1 Ų61.142%0.41634%0.343SS..Hα-helixtrans-66.7-44.2175.6-174.1-177.7-171.300110.3S490 K495 S496 I497S490-E493 PolarHBondContact O-N 2.92Å; S490-E493 WeakPolarHBondContact OG-CB 3.49Å; S490-E493 PolarHBondContact OG-N 3.37Å; S490-E493 PolarHBondContact OG-OE2 3.37Å; E493-K495 VanDerWaalsContact C-N 3.34Å; E493-K495 PolarHBondContact O-N 3.39Å; E493-S496 WeakPolarHBondContact O-CB 3.14Å; E493-S496 PolarHBondContact O-N 3.31Å; E493-S496 PolarHBondContact O-OG 2.74Å; E493-I497 HydrophobicContact CG-CD1 3.89Å; E493-I497 WeakPolarHBondContact O-CG1 3.37Å; E493-I497 PolarHBondContact O-N 2.83Å
494F71Confident64.8Low1 Ų155.9 Ų55.90%0.00432%0.324CS..Hα-helixtrans-54.1-48.6173.3-177.2-100.8000112.1M485 C488 S490 S496 I497 M498 L535 F539 W555M485-F494 HydrophobicContact CB-CD2 4.4Å; M485-F494 HydrophobicContact CB-CE2 4.04Å; M485-F494 HydrophobicContact CE-CE2 3.62Å; M485-F494 HydrophobicContact CE-CZ 3.73Å; M485-F494 HydrophobicContact CG-CE2 4.29Å; C488-F494 HydrophobicContact CB-CB 4.13Å; C488-F494 HydrophobicContact CB-CD2 4.32Å; S490-F494 PolarHBondContact O-N 2.73Å; S490-F494 VanDerWaalsContact O-N 3.1Å; F494-S496 VanDerWaalsContact C-N 3.32Å; F494-S496 PolarHBondContact O-N 2.93Å; F494-I497 PolarHBondContact O-N 3.27Å; F494-M498 HydrophobicContact CD1-CG 4.11Å; F494-M498 HydrophobicContact CD1-SD 4.4Å; F494-M498 HydrophobicContact CE1-CG 3.72Å; F494-M498 HydrophobicContact CE1-SD 3.52Å; F494-M498 VanDerWaalsContact CE1-SD 3.52Å; F494-M498 HydrophobicContact CE2-CG 4.32Å; F494-M498 HydrophobicContact CZ-CG 3.81Å; F494-M498 HydrophobicContact CZ-SD 3.66Å; F494-M498 WeakPolarHBondContact O-CB 3.33Å; F494-M498 VanDerWaalsContact O-CG 3.24Å; F494-M498 WeakPolarHBondContact O-CG 3.29Å; F494-M498 PolarHBondContact O-N 3.47Å; F494-L535 HydrophobicContact CE1-CB 4.17Å; F494-L535 HydrophobicContact CZ-CB 3.74Å; F494-F539 HydrophobicContact CD2-CD2 4.43Å; F494-F539 HydrophobicContact CD2-CE2 4.19Å; F494-F539 AromaticContact CE2-CD2 3.71Å; F494-F539 HydrophobicContact CE2-CD2 3.71Å; F494-F539 AromaticContact CE2-CE2 3.31Å; F494-F539 HydrophobicContact CE2-CE2 3.31Å; F494-F539 HydrophobicContact CE2-CZ 4.06Å; F494-F539 AromaticContact CZ-CD2 3.87Å; F494-F539 HydrophobicContact CZ-CD2 3.87Å; F494-F539 AromaticContact CZ-CE2 3.75Å; F494-F539 HydrophobicContact CZ-CE2 3.75Å; F494-W555 HydrophobicContact CB-CH2 3.7Å; F494-W555 HydrophobicContact CB-CZ2 4.29Å; F494-W555 HydrophobicContact CB-CZ3 4.39Å; F494-W555 AromaticContact CD1-CH2 3.9Å; F494-W555 HydrophobicContact CD1-CH2 3.9Å; F494-W555 AromaticContact CD1-CZ3 3.89Å; F494-W555 HydrophobicContact CD1-CZ3 3.89Å; F494-W555 AromaticContact CD2-CH2 3.76Å; F494-W555 HydrophobicContact CD2-CH2 3.76Å; F494-W555 HydrophobicContact CD2-CZ3 4.48Å; F494-W555 HydrophobicContact CE1-CZ3 4.32Å; F494-W555 HydrophobicContact CE2-CH2 4.39Å; F494-W555 AromaticContact CG-CH2 3.49Å; F494-W555 HydrophobicContact CG-CH2 3.49Å; F494-W555 VanDerWaalsContact CG-CH2 3.49Å; F494-W555 HydrophobicContact CG-CZ2 4.49Å; F494-W555 AromaticContact CG-CZ3 3.99Å; F494-W555 HydrophobicContact CG-CZ3 3.99Å
495K69Low64.5Low108 Ų10859.1 Ų59.147%0.4734%0.335SS..Hα-helixtrans-60-40.4176.2-173.6176.4-179.3176.60112.1P491 S492 E493 L499P491-K495 WeakPolarHBondContact O-CB 3.44Å; P491-K495 PolarHBondContact O-N 3.34Å; S492-K495 PolarHBondContact O-N 3.19Å; E493-K495 VanDerWaalsContact C-N 3.34Å; E493-K495 PolarHBondContact O-N 3.39Å; K495-L499 HydrophobicContact CG-CD1 4.2Å; K495-L499 VanDerWaalsContact O-CG 3.3Å; K495-L499 WeakPolarHBondContact O-CG 3.34Å; K495-L499 PolarHBondContact O-N 2.72Å; K495-L499 VanDerWaalsContact O-N 3.08Å
496S71Confident64.1Low49 Ų4966.8 Ų66.834%0.34336%0.363SS..Hα-helixtrans-66.4-42.9179.376.90000112.4S492 E493 F494 L499 Q500S492-S496 PolarHBondContact O-N 3.37Å; E493-S496 WeakPolarHBondContact O-CB 3.14Å; E493-S496 PolarHBondContact O-N 3.31Å; E493-S496 PolarHBondContact O-OG 2.74Å; F494-S496 VanDerWaalsContact C-N 3.32Å; F494-S496 PolarHBondContact O-N 2.93Å; S496-L499 PolarHBondContact O-N 3.38Å; S496-Q500 WeakPolarHBondContact O-CG 3.45Å; S496-Q500 PolarHBondContact O-N 3.13Å; S496-Q500 VanDerWaalsContact O-N 3.14Å
497I67.1Low63.8Low23 Ų2365.5 Ų65.512%0.11835%0.352CS..Hα-helixtrans-69-39.2178.6-65.7161.3000110.2D484 M485 C488 E493 F494 L499 Q500 A501D484-I497 HydrophobicContact CB-CD1 4.26Å; M485-I497 HydrophobicContact CG-CB 4.31Å; M485-I497 HydrophobicContact CG-CG2 3.47Å; M485-I497 VanDerWaalsContact CG-CG2 3.47Å; M485-I497 HydrophobicContact SD-CG2 4.45Å; C488-I497 WeakPolarHBondContact SG-CD1 3.37Å; E493-I497 HydrophobicContact CG-CD1 3.89Å; E493-I497 WeakPolarHBondContact O-CG1 3.37Å; E493-I497 PolarHBondContact O-N 2.83Å; F494-I497 PolarHBondContact O-N 3.27Å; I497-L499 VanDerWaalsContact C-N 3.34Å; I497-L499 PolarHBondContact O-N 2.89Å; I497-Q500 PolarHBondContact O-N 3.07Å; I497-A501 WeakPolarHBondContact O-CB 3.32Å; I497-A501 PolarHBondContact O-N 3.21Å
498M65.2Low63.3Low18 Ų1866.1 Ų66.19%0.08934%0.341CS..Hα-helixtrans-59.1-41.8173.8-79.1-131.372.300113M485 F494 A504 V531 V532 L535M485-M498 HydrophobicContact CE-CE 3.87Å; M485-M498 HydrophobicContact CE-CG 3.73Å; M485-M498 HydrophobicContact CE-SD 4.01Å; M485-M498 HydrophobicContact SD-CG 4.42Å; F494-M498 HydrophobicContact CD1-CG 4.11Å; F494-M498 HydrophobicContact CD1-SD 4.4Å; F494-M498 HydrophobicContact CE1-CG 3.72Å; F494-M498 HydrophobicContact CE1-SD 3.52Å; F494-M498 VanDerWaalsContact CE1-SD 3.52Å; F494-M498 HydrophobicContact CE2-CG 4.32Å; F494-M498 HydrophobicContact CZ-CG 3.81Å; F494-M498 HydrophobicContact CZ-SD 3.66Å; F494-M498 WeakPolarHBondContact O-CB 3.33Å; F494-M498 VanDerWaalsContact O-CG 3.24Å; F494-M498 WeakPolarHBondContact O-CG 3.29Å; F494-M498 PolarHBondContact O-N 3.47Å; M498-A504 HydrophobicContact CE-CB 3.57Å; M498-V531 HydrophobicContact CE-CG1 4.07Å; M498-V532 HydrophobicContact SD-CG2 4.36Å; M498-L535 HydrophobicContact CE-CD1 3.25Å; M498-L535 HydrophobicContact SD-CB 4.44Å; M498-L535 HydrophobicContact SD-CD1 3.57Å; M498-L535 VanDerWaalsContact SD-CD1 3.57Å
499L66.1Low62.6Low135 Ų13575 Ų7571%0.70737%0.373SS*.Hα-helixtrans-71.5-29.6179.2-73.5167.8000112.7K495 S496 I497K495-L499 HydrophobicContact CG-CD1 4.2Å; K495-L499 VanDerWaalsContact O-CG 3.3Å; K495-L499 WeakPolarHBondContact O-CG 3.34Å; K495-L499 PolarHBondContact O-N 2.72Å; K495-L499 VanDerWaalsContact O-N 3.08Å; S496-L499 PolarHBondContact O-N 3.38Å; I497-L499 VanDerWaalsContact C-N 3.34Å; I497-L499 PolarHBondContact O-N 2.89Å
500Q64Low62.2Low157 Ų15773.4 Ų73.473%0.73437%0.365SS*.Hα-helixtrans-84.5-23.2178.7-69.8176.84.400113.4S496 I497 D502S496-Q500 WeakPolarHBondContact O-CG 3.45Å; S496-Q500 PolarHBondContact O-N 3.13Å; S496-Q500 VanDerWaalsContact O-N 3.14Å; I497-Q500 PolarHBondContact O-N 3.07Å; Q500-D502 PolarHBondContact O-N 3.22Å
501A59.6Low61.5Low6 Ų676.8 Ų76.85%0.0538%0.381CS..  trans-92.399.6-174.400000112.4N481 I497 G503 A504N481-A501 HydrophobicContact CB-CB 3.91Å; N481-A501 WeakPolarHBondContact ND2-CB 3.48Å; I497-A501 WeakPolarHBondContact O-CB 3.32Å; I497-A501 PolarHBondContact O-N 3.21Å; A501-G503 PolarHBondContact O-N 3.19Å; A501-G503 VanDerWaalsContact O-N 3.1Å; A501-A504 HydrophobicContact CB-CB 3.95Å; A501-A504 VanDerWaalsContact O-CB 3.22Å; A501-A504 WeakPolarHBondContact O-CB 3.36Å; A501-A504 PolarHBondContact O-N 3.24Å
502D54.9Low60.9Low124 Ų12479 Ų7966%0.66340%0.401SS*.THydrogen-bonded Turntrans-60.5-23171-129.9-0.7000112.1Q500 K505Q500-D502 PolarHBondContact O-N 3.22Å; D502-K505 IonicContact OD1-NZ 2.97Å; D502-K505 PolarHBondContact OD1-NZ 2.89Å
503G52.3Low60.1Low22 Ų2277.4 Ų77.423%0.22738%0.383CS..THydrogen-bonded Turntrans-72.7-19.3172.200000115.3A501 K505 R506 F507A501-G503 PolarHBondContact O-N 3.19Å; A501-G503 VanDerWaalsContact O-N 3.1Å; G503-K505 PolarHBondContact O-N 3.36Å; G503-R506 WeakPolarHBondContact O-CB 3.31Å; G503-R506 PolarHBondContact O-N 3.26Å; G503-F507 WeakPolarHBondContact O-CD2 3.34Å
504A52.3Low59.4Low4 Ų476.2 Ų76.23%0.03338%0.384CS..Hα-helixtrans-63.7-26.8177.200000112.3M485 M498 A501 R506 F507M485-A504 HydrophobicContact SD-CB 4.29Å; M498-A504 HydrophobicContact CE-CB 3.57Å; A501-A504 HydrophobicContact CB-CB 3.95Å; A501-A504 VanDerWaalsContact O-CB 3.22Å; A501-A504 WeakPolarHBondContact O-CB 3.36Å; A501-A504 PolarHBondContact O-N 3.24Å; A504-R506 PolarHBondContact O-N 2.72Å; A504-R506 VanDerWaalsContact O-N 3.09Å; A504-F507 PolarHBondContact O-N 3.32Å
505K54.3Low58.8Low132 Ų13276.3 Ų76.357%0.57439%0.385SS*.Hα-helixtrans-65.6-1.1169.2-62.6173.5-173.1153.90113.6D502 G503 H508D502-K505 IonicContact OD1-NZ 2.97Å; D502-K505 PolarHBondContact OD1-NZ 2.89Å; G503-K505 PolarHBondContact O-N 3.36Å; K505-H508 VanDerWaalsContact C-ND1 3.31Å; K505-H508 PolarHBondContact O-CE1 3.44Å; K505-H508 PolarHBondContact O-ND1 3.04Å
506R55.3Low58.3Low171 Ų17173.9 Ų73.965%0.64539%0.39SS*.Hα-helixtrans-104.1-25.4170.2-66.7-174.7-178.5175.50.2112.9G503 A504 H508 R509G503-R506 WeakPolarHBondContact O-CB 3.31Å; G503-R506 PolarHBondContact O-N 3.26Å; A504-R506 PolarHBondContact O-N 2.72Å; A504-R506 VanDerWaalsContact O-N 3.09Å; R506-H508 VanDerWaalsContact C-N 3.33Å; R506-H508 PolarHBondContact O-N 3.14Å; R506-R509 PolarHBondContact O-N 3.12Å
507F55.6Low57.5Low47 Ų4772.3 Ų72.321%0.20638%0.38CS..Hα-helixtrans-65.7-34.3-178.8-79.2-87.7000113P482 G503 A504 R509 S510 F513P482-F507 HydrophobicContact CB-CE1 3.9Å; P482-F507 HydrophobicContact CB-CE2 3.87Å; P482-F507 HydrophobicContact CB-CZ 3.28Å; P482-F507 HydrophobicContact CG-CE1 4.4Å; P482-F507 HydrophobicContact CG-CE2 3.59Å; P482-F507 HydrophobicContact CG-CZ 3.34Å; G503-F507 WeakPolarHBondContact O-CD2 3.34Å; A504-F507 PolarHBondContact O-N 3.32Å; F507-R509 PolarHBondContact O-N 3.43Å; F507-R509 VanDerWaalsContact O-N 3.09Å; F507-S510 PolarHBondContact O-N 3.37Å; F507-S510 VanDerWaalsContact O-N 3.14Å; F507-F513 AromaticContact CD1-CD2 3.99Å; F507-F513 HydrophobicContact CD1-CD2 3.99Å; F507-F513 AromaticContact CD1-CE2 3.71Å; F507-F513 HydrophobicContact CD1-CE2 3.71Å; F507-F513 HydrophobicContact CD1-CZ 4.24Å; F507-F513 AromaticContact CE1-CE2 4Å; F507-F513 HydrophobicContact CE1-CE2 4Å; F507-F513 HydrophobicContact CE1-CZ 4.32Å
508H52.8Low57.1Low64 Ų6471.8 Ų71.830%0.29638%0.377SS..THydrogen-bonded Turntrans-63.9-14176.676.2-98000114.6K505 R506 V531K505-H508 VanDerWaalsContact C-ND1 3.31Å; K505-H508 PolarHBondContact O-CE1 3.44Å; K505-H508 PolarHBondContact O-ND1 3.04Å; R506-H508 VanDerWaalsContact C-N 3.33Å; R506-H508 PolarHBondContact O-N 3.14Å; H508-V531 HydrophobicContact CB-CG1 4.08Å; H508-V531 HydrophobicContact CB-CG2 4.38Å
509R54.3Low56.6Low196 Ų19676 Ų7674%0.7440%0.4SS*.THydrogen-bonded Turntrans-94-10.1179.2-60.7-171.2-178.8178.4-1.9113.2R506 F507R506-R509 PolarHBondContact O-N 3.12Å; F507-R509 PolarHBondContact O-N 3.43Å; F507-R509 VanDerWaalsContact O-N 3.09Å
510S57.2Low55.9Low52 Ų5274.7 Ų74.736%0.36439%0.393SS..  trans-86.9123.5179-176.90000109.7F507 A512 F513F507-S510 PolarHBondContact O-N 3.37Å; F507-S510 VanDerWaalsContact O-N 3.14Å; S510-A512 PolarHBondContact O-N 3.12Å; S510-A512 VanDerWaalsContact O-N 3.1Å; S510-A512 WeakPolarHBondContact OG-CB 3.26Å; S510-A512 PolarHBondContact OG-N 2.79Å; S510-F513 PolarHBondContact O-N 3.1Å
511D56.9Low55.5Low105 Ų10568.1 Ų68.156%0.56136%0.362SS*.G310 helixtrans-58.3-21.4173.9-73.6-28.3000112.3F513 S514 R522D511-F513 PolarHBondContact O-N 3.34Å; D511-S514 PolarHBondContact O-N 3.43Å; D511-S514 PolarHBondContact O-OG 3.43Å; D511-R522 IonicContact OD1-CZ 3.56Å; D511-R522 IonicContact OD1-NH1 3.89Å; D511-R522 IonicContact OD1-NH2 2.62Å; D511-R522 PolarHBondContact OD1-NH2 2.96Å
512A55.7Low55.2Low66 Ų6674.5 Ų74.555%0.54539%0.385SS..G310 helixtrans-65.5-18.6178.600000114.5S510S510-A512 PolarHBondContact O-N 3.12Å; S510-A512 VanDerWaalsContact O-N 3.1Å; S510-A512 WeakPolarHBondContact OG-CB 3.26Å; S510-A512 PolarHBondContact OG-N 2.79Å
513F56.1Low55.1Low57 Ų5775.7 Ų75.725%0.2539%0.386CS..G310 helixtrans-118.637.5-178.5-62.5-80.1000112.1F507 S510 D511 L535 Y538F507-F513 AromaticContact CD1-CD2 3.99Å; F507-F513 HydrophobicContact CD1-CD2 3.99Å; F507-F513 AromaticContact CD1-CE2 3.71Å; F507-F513 HydrophobicContact CD1-CE2 3.71Å; F507-F513 HydrophobicContact CD1-CZ 4.24Å; F507-F513 AromaticContact CE1-CE2 4Å; F507-F513 HydrophobicContact CE1-CE2 4Å; F507-F513 HydrophobicContact CE1-CZ 4.32Å; S510-F513 PolarHBondContact O-N 3.1Å; D511-F513 PolarHBondContact O-N 3.34Å; F513-L535 HydrophobicContact CB-CD2 4.25Å; F513-Y538 HydrophobicContact CD1-CD1 4.13Å; F513-Y538 AromaticContact CD1-CE1 3.58Å; F513-Y538 HydrophobicContact CD1-CE1 3.58Å; F513-Y538 AromaticContact CD1-CZ 3.8Å; F513-Y538 HydrophobicContact CE1-CE1 4.22Å
514S55.8Low55.2Low63 Ų6379.1 Ų79.144%0.44140%0.397SS..  trans-107.5131.5176.863.80000110.7D511D511-S514 PolarHBondContact O-N 3.43Å; D511-S514 PolarHBondContact O-OG 3.43Å
515S58.9Low55.5Low4 Ų479.5 Ų79.53%0.02840%0.398CS..  trans-73.7139.1164.41750000108.7A517 L518 D541 R582S515-A517 PolarHBondContact O-N 3.3Å; S515-A517 VanDerWaalsContact O-N 3.11Å; S515-A517 WeakPolarHBondContact OG-CB 3.24Å; S515-A517 PolarHBondContact OG-N 2.94Å; S515-A517 VanDerWaalsContact OG-N 3.12Å; S515-L518 PolarHBondContact O-N 3.38Å; S515-D541 WeakPolarHBondContact CB-OD2 3.47Å; S515-D541 PolarHBondContact OG-OD2 3.31Å; S515-R582 PolarHBondContact OG-NH2 3.49Å; S515-R582 VanDerWaalsContact OG-NH2 3.09Å
516G58.1Low55.4Low56 Ų5682.6 Ų82.658%0.57741%0.406SS*.G310 helixtrans-54.9-27.1169.900000113L518 I519G516-L518 PolarHBondContact O-N 2.85Å; G516-I519 WeakPolarHBondContact O-CG1 3.35Å
517A55.9Low55.5Low16 Ų1677.1 Ų77.113%0.13240%0.397CS..G310 helixtrans-70.2-17.1177.900000114S515 F521 E578S515-A517 PolarHBondContact O-N 3.3Å; S515-A517 VanDerWaalsContact O-N 3.11Å; S515-A517 WeakPolarHBondContact OG-CB 3.24Å; S515-A517 PolarHBondContact OG-N 2.94Å; S515-A517 VanDerWaalsContact OG-N 3.12Å; A517-F521 WeakPolarHBondContact O-CD2 3.35Å; A517-E578 HydrophobicContact CB-CG 4.37Å; A517-E578 VanDerWaalsContact CB-OE1 3.24Å; A517-E578 WeakPolarHBondContact CB-OE1 3.48Å
518L56.9Low55.5Low12 Ų1279.7 Ų79.76%0.06342%0.421CS..G310 helixtrans-101.40.9-176-72.5163.1000113.5S515 G516 D520 F521 R522 L525 R534 L537S515-L518 PolarHBondContact O-N 3.38Å; G516-L518 PolarHBondContact O-N 2.85Å; L518-D520 PolarHBondContact O-N 3.12Å; L518-F521 HydrophobicContact CD2-CB 4.22Å; L518-F521 HydrophobicContact CD2-CD2 4.4Å; L518-F521 PolarHBondContact O-N 3.34Å; L518-R522 PolarHBondContact O-N 3.31Å; L518-L525 HydrophobicContact CD2-CD1 3.47Å; L518-L525 VanDerWaalsContact CD2-CD1 3.47Å; L518-R534 HydrophobicContact CD1-CB 3.81Å; L518-R534 HydrophobicContact CD1-CG 3.66Å; L518-R534 HydrophobicContact CD2-CG 4.17Å; L518-R534 HydrophobicContact CG-CG 4.46Å; L518-L537 HydrophobicContact CD1-CB 4.21Å; L518-L537 HydrophobicContact CD1-CD1 4Å; L518-L537 HydrophobicContact CD2-CD1 3.97Å; L518-L537 HydrophobicContact CG-CD1 4.16Å
519I55Low55.6Low108 Ų10880.1 Ų80.155%0.55442%0.423SS*.SBendtrans-58.9-40.3177.6-64.4173.8000109.6G516 R522G516-I519 WeakPolarHBondContact O-CG1 3.35Å; I519-R522 WeakPolarHBondContact O-CB 3.1Å
520D52.5Low55.9Low107 Ų10771.2 Ų71.257%0.57239%0.391SS*.THydrogen-bonded Turntrans-76.6-25.7-179.7-60.8-27.7000113L518 Q626L518-D520 PolarHBondContact O-N 3.12Å; D520-Q626 PolarHBondContact OD2-NE2 3.44Å
521F55.5Low56.1Low18 Ų1869.8 Ų69.88%0.07938%0.381CS..THydrogen-bonded Turntrans-964.5179.8-58.5-74.5000113.8A517 L518 E523 Q524 L525 E574A517-F521 WeakPolarHBondContact O-CD2 3.35Å; L518-F521 HydrophobicContact CD2-CB 4.22Å; L518-F521 HydrophobicContact CD2-CD2 4.4Å; L518-F521 PolarHBondContact O-N 3.34Å; F521-E523 PolarHBondContact O-N 2.97Å; F521-E523 VanDerWaalsContact O-N 3.12Å; F521-Q524 PolarHBondContact O-N 2.85Å; F521-Q524 VanDerWaalsContact O-N 3.17Å; F521-L525 HydrophobicContact CB-CD1 3.44Å; F521-L525 VanDerWaalsContact CB-CD1 3.44Å; F521-L525 HydrophobicContact CB-CG 4.11Å; F521-L525 HydrophobicContact CG-CD1 4.37Å; F521-L525 WeakPolarHBondContact O-CB 3.42Å; F521-L525 PolarHBondContact O-N 3.3Å; F521-E574 HydrophobicContact CE1-CB 3.53Å; F521-E574 HydrophobicContact CE1-CG 3.97Å; F521-E574 HydrophobicContact CZ-CB 3.7Å; F521-E574 HydrophobicContact CZ-CG 4.29Å
522R52.1Low56.5Low140 Ų14066.2 Ų66.253%0.52836%0.362SS..THydrogen-bonded Turntrans-57.2-33.1-170.8-162.3175.7-175178.64.1112.8D511 L518 I519D511-R522 IonicContact OD1-CZ 3.56Å; D511-R522 IonicContact OD1-NH1 3.89Å; D511-R522 IonicContact OD1-NH2 2.62Å; D511-R522 PolarHBondContact OD1-NH2 2.96Å; L518-R522 PolarHBondContact O-N 3.31Å; I519-R522 WeakPolarHBondContact O-CB 3.1Å
523E52.6Low57Low149 Ų14963.4 Ų63.470%0.69634%0.338SS*.THydrogen-bonded Turntrans-86.5-31.6-179.6-62.8-158.8145.800114.6F521 R526F521-E523 PolarHBondContact O-N 2.97Å; F521-E523 VanDerWaalsContact O-N 3.12Å; E523-R526 PolarHBondContact O-NE 3.02Å
524Q55.6Low57.4Low95 Ų9562.5 Ų62.544%0.44433%0.333SS..THydrogen-bonded Turntrans-85.3-24.4-171.5-65174-3.900112.9F521 R526 I571F521-Q524 PolarHBondContact O-N 2.85Å; F521-Q524 VanDerWaalsContact O-N 3.17Å; Q524-R526 PolarHBondContact O-N 3.32Å; Q524-I571 HydrophobicContact CB-CD1 4.1Å
525L57.4Low57.9Low12 Ų1259.8 Ų59.86%0.06331%0.314CS..  trans-91.135.2-172.9-81.2171.1000114.1L518 F521 A527 A530 R534 I571L518-L525 HydrophobicContact CD2-CD1 3.47Å; L518-L525 VanDerWaalsContact CD2-CD1 3.47Å; F521-L525 HydrophobicContact CB-CD1 3.44Å; F521-L525 VanDerWaalsContact CB-CD1 3.44Å; F521-L525 HydrophobicContact CB-CG 4.11Å; F521-L525 HydrophobicContact CG-CD1 4.37Å; F521-L525 WeakPolarHBondContact O-CB 3.42Å; F521-L525 PolarHBondContact O-N 3.3Å; L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 3.24Å; L525-A530 HydrophobicContact CB-CB 3.72Å; L525-A530 HydrophobicContact CD2-CB 3.53Å; L525-A530 HydrophobicContact CG-CB 4.21Å; L525-A530 WeakPolarHBondContact O-CB 3.25Å; L525-R534 VanDerWaalsContact C-NH2 3.35Å; L525-R534 HydrophobicContact CD1-CG 4.35Å; L525-R534 PolarHBondContact O-NH2 2.79Å; L525-I571 HydrophobicContact CD2-CG2 4Å
526R53.5Low58.4Low197 Ų19759.9 Ų59.974%0.74332%0.315SS*.  trans-76.3-2.4-171.8-70.9-178.3-168.4173.84.6116.2E523 Q524E523-R526 PolarHBondContact O-NE 3.02Å; Q524-R526 PolarHBondContact O-N 3.32Å
527A57.8Low58.9Low56 Ų5657.3 Ų57.346%0.46329%0.287SS..SBendtrans-80.4159.9-178.300000113.7L525 E529 A530 V531L525-A527 VanDerWaalsContact C-N 3.3Å; L525-A527 PolarHBondContact O-N 3.24Å; A527-E529 VanDerWaalsContact C-N 3.26Å; A527-E529 PolarHBondContact O-N 3.48Å; A527-A530 WeakPolarHBondContact O-CB 3.25Å; A527-A530 PolarHBondContact O-N 3.02Å; A527-V531 PolarHBondContact O-N 3.07Å
528S54.2Low59.7Low100 Ų10060.1 Ų60.170%0.69930%0.295SS*.Hα-helixtrans-57.5-36.5177.2520000113.1A530 V531S528-A530 VanDerWaalsContact C-N 3.3Å; S528-A530 PolarHBondContact O-N 3.14Å; S528-V531 PolarHBondContact O-N 3.44Å
529E55.8Low60.3Low74 Ų7460.9 Ų60.935%0.34630%0.298SS..Hα-helixtrans-66.6-33.3177-62.5-179.9150.100111.9A527 V531 V532 V533 S564 T566A527-E529 VanDerWaalsContact C-N 3.26Å; A527-E529 PolarHBondContact O-N 3.48Å; E529-V531 VanDerWaalsContact C-N 3.3Å; E529-V531 PolarHBondContact O-N 3.04Å; E529-V532 PolarHBondContact O-N 2.66Å; E529-V533 PolarHBondContact O-N 3.41Å; E529-S564 VanDerWaalsContact CD-CB 3.48Å; E529-S564 WeakPolarHBondContact OE1-CB 3.47Å; E529-S564 PolarHBondContact OE1-OG 2.89Å; E529-S564 WeakPolarHBondContact OE2-CB 3.3Å; E529-T566 PolarHBondContact OE2-OG1 3.33Å
530A60.8Low61.2Low8 Ų855.7 Ų55.77%0.06627%0.271CS..Hα-helixtrans-72.5-22.5178.800000113.1L525 A527 S528 R534L525-A530 HydrophobicContact CB-CB 3.72Å; L525-A530 HydrophobicContact CD2-CB 3.53Å; L525-A530 HydrophobicContact CG-CB 4.21Å; L525-A530 WeakPolarHBondContact O-CB 3.25Å; A527-A530 WeakPolarHBondContact O-CB 3.25Å; A527-A530 PolarHBondContact O-N 3.02Å; S528-A530 VanDerWaalsContact C-N 3.3Å; S528-A530 PolarHBondContact O-N 3.14Å; A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 VanDerWaalsContact O-CG 3.25Å; A530-R534 WeakPolarHBondContact O-CG 3.3Å; A530-R534 PolarHBondContact O-N 3.21Å
531V62Low62Low23 Ų2352.5 Ų52.514%0.13925%0.254CS..Hα-helixtrans-66.3-40.8172.9178.50000111.1M498 H508 A527 S528 E529 R534 L535M498-V531 HydrophobicContact CE-CG1 4.07Å; H508-V531 HydrophobicContact CB-CG1 4.08Å; H508-V531 HydrophobicContact CB-CG2 4.38Å; A527-V531 PolarHBondContact O-N 3.07Å; S528-V531 PolarHBondContact O-N 3.44Å; E529-V531 VanDerWaalsContact C-N 3.3Å; E529-V531 PolarHBondContact O-N 3.04Å; V531-R534 PolarHBondContact O-N 3.05Å; V531-L535 HydrophobicContact CG1-CD1 3.95Å; V531-L535 PolarHBondContact O-N 3.1Å; V531-L535 VanDerWaalsContact O-N 3.13Å
532V63.8Low62.8Low30 Ų3053.3 Ų53.318%0.18227%0.268CS..Hα-helixtrans-64.5-46177.5178.60000110.1M498 E529 S536 A562M498-V532 HydrophobicContact SD-CG2 4.36Å; E529-V532 PolarHBondContact O-N 2.66Å; V532-S536 VanDerWaalsContact O-CB 3.28Å; V532-S536 WeakPolarHBondContact O-CB 3.37Å; V532-S536 PolarHBondContact O-N 2.98Å; V532-S536 PolarHBondContact O-OG 3.41Å; V532-A562 HydrophobicContact CG1-CB 4.45Å
533V66.2Low63.7Low6 Ų648 Ų484%0.03625%0.25CC..Hα-helixtrans-60.8-46.3176.7174.10000111.2E529 L535 S536 L537 L575E529-V533 PolarHBondContact O-N 3.41Å; V533-L535 PolarHBondContact O-N 3.07Å; V533-S536 PolarHBondContact O-N 2.85Å; V533-L537 HydrophobicContact CG1-CD1 3.82Å; V533-L537 HydrophobicContact CG1-CG 4.27Å; V533-L537 WeakPolarHBondContact O-CB 3.5Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.39Å; V533-L575 HydrophobicContact CG1-CD1 3.88Å; V533-L575 HydrophobicContact CG1-CD2 3.54Å; V533-L575 HydrophobicContact CG1-CG 4.36Å; V533-L575 HydrophobicContact CG2-CD2 4.38Å
534R65.4Low64.5Low39 Ų3941.7 Ų41.715%0.14722%0.221CC..Hα-helixtrans-60.7-46.1-178.3-74.1-166.3-127-171.9-4.7112.9L518 L525 A530 V531 L537 Y538L518-R534 HydrophobicContact CD1-CB 3.81Å; L518-R534 HydrophobicContact CD1-CG 3.66Å; L518-R534 HydrophobicContact CD2-CG 4.17Å; L518-R534 HydrophobicContact CG-CG 4.46Å; L525-R534 VanDerWaalsContact C-NH2 3.35Å; L525-R534 HydrophobicContact CD1-CG 4.35Å; L525-R534 PolarHBondContact O-NH2 2.79Å; A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 VanDerWaalsContact O-CG 3.25Å; A530-R534 WeakPolarHBondContact O-CG 3.3Å; A530-R534 PolarHBondContact O-N 3.21Å; V531-R534 PolarHBondContact O-N 3.05Å; R534-L537 PolarHBondContact O-N 2.91Å; R534-Y538 PolarHBondContact O-N 3.36Å
535L67.1Low65.2Low5 Ų543 Ų433%0.02623%0.231CC..Hα-helixtrans-71.6-40-179.4-67.9164.8000111M485 F494 M498 F513 V531 V533 L537 Y538 F539M485-L535 HydrophobicContact CE-CD1 4.11Å; F494-L535 HydrophobicContact CE1-CB 4.17Å; F494-L535 HydrophobicContact CZ-CB 3.74Å; M498-L535 HydrophobicContact CE-CD1 3.25Å; M498-L535 HydrophobicContact SD-CB 4.44Å; M498-L535 HydrophobicContact SD-CD1 3.57Å; M498-L535 VanDerWaalsContact SD-CD1 3.57Å; F513-L535 HydrophobicContact CB-CD2 4.25Å; V531-L535 HydrophobicContact CG1-CD1 3.95Å; V531-L535 PolarHBondContact O-N 3.1Å; V531-L535 VanDerWaalsContact O-N 3.13Å; V533-L535 PolarHBondContact O-N 3.07Å; L535-L537 VanDerWaalsContact C-N 3.3Å; L535-L537 PolarHBondContact O-N 2.73Å; L535-Y538 WeakPolarHBondContact O-CB 3.4Å; L535-Y538 PolarHBondContact O-N 2.87Å; L535-Y538 VanDerWaalsContact O-N 3.16Å; L535-F539 VanDerWaalsContact O-CD2 3.23Å; L535-F539 WeakPolarHBondContact O-CD2 3.37Å; L535-F539 PolarHBondContact O-N 3.11Å
536S69.2Low65.8Low7 Ų748.7 Ų48.75%0.04926%0.261CS..Hα-helixtrans-61.8-36.7174.7-61.70000112.8V532 V533 F539 L540 C559V532-S536 VanDerWaalsContact O-CB 3.28Å; V532-S536 WeakPolarHBondContact O-CB 3.37Å; V532-S536 PolarHBondContact O-N 2.98Å; V532-S536 PolarHBondContact O-OG 3.41Å; V533-S536 PolarHBondContact O-N 2.85Å; S536-F539 PolarHBondContact O-N 3.15Å; S536-L540 VanDerWaalsContact O-CB 3.27Å; S536-L540 WeakPolarHBondContact O-CB 3.37Å; S536-L540 PolarHBondContact O-N 3.46Å; S536-C559 WeakPolarHBondContact CB-SG 3.29Å
537L68.5Low66.3Low1 Ų143.8 Ų43.81%0.00525%0.249CC..Hα-helixtrans-68.4-38173.2-71.4173.1000112.4L518 V533 R534 L535 L540 D541 L575 L579 R582L518-L537 HydrophobicContact CD1-CB 4.21Å; L518-L537 HydrophobicContact CD1-CD1 4Å; L518-L537 HydrophobicContact CD2-CD1 3.97Å; L518-L537 HydrophobicContact CG-CD1 4.16Å; V533-L537 HydrophobicContact CG1-CD1 3.82Å; V533-L537 HydrophobicContact CG1-CG 4.27Å; V533-L537 WeakPolarHBondContact O-CB 3.5Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.39Å; R534-L537 PolarHBondContact O-N 2.91Å; L535-L537 VanDerWaalsContact C-N 3.3Å; L535-L537 PolarHBondContact O-N 2.73Å; L537-L540 HydrophobicContact CD2-CD2 4.49Å; L537-L540 PolarHBondContact O-N 3.14Å; L537-D541 PolarHBondContact O-N 3.46Å; L537-L575 HydrophobicContact CD1-CD1 3.86Å; L537-L579 HydrophobicContact CD2-CD2 3.85Å; L537-R582 PolarHBondContact O-NH1 3.3Å
538Y71.4Confident66.8Low76 Ų7646 Ų4630%0.29825%0.25SC..Hα-helixtrans-62.3-46.1173173.9-91.5000111.6F513 R534 L535 L540 D541 G542F513-Y538 HydrophobicContact CD1-CD1 4.13Å; F513-Y538 AromaticContact CD1-CE1 3.58Å; F513-Y538 HydrophobicContact CD1-CE1 3.58Å; F513-Y538 AromaticContact CD1-CZ 3.8Å; F513-Y538 HydrophobicContact CE1-CE1 4.22Å; R534-Y538 PolarHBondContact O-N 3.36Å; L535-Y538 WeakPolarHBondContact O-CB 3.4Å; L535-Y538 PolarHBondContact O-N 2.87Å; L535-Y538 VanDerWaalsContact O-N 3.16Å; Y538-L540 VanDerWaalsContact C-N 3.31Å; Y538-L540 PolarHBondContact O-N 3.36Å; Y538-D541 PolarHBondContact O-N 3Å; Y538-G542 PolarHBondContact O-N 2.91Å
539F71.1Confident67.5Low27 Ų2743.5 Ų43.512%0.11823%0.225CC..Hα-helixtrans-62.6-39.9174.6-85.3-75.7000111.9M485 V486 F494 L535 S536 D541 G542 L543 W555M485-F539 VanDerWaalsContact O-CZ 3.27Å; M485-F539 WeakPolarHBondContact O-CZ 3.4Å; V486-F539 HydrophobicContact CG2-CZ 4.21Å; F494-F539 HydrophobicContact CD2-CD2 4.43Å; F494-F539 HydrophobicContact CD2-CE2 4.19Å; F494-F539 AromaticContact CE2-CD2 3.71Å; F494-F539 HydrophobicContact CE2-CD2 3.71Å; F494-F539 AromaticContact CE2-CE2 3.31Å; F494-F539 HydrophobicContact CE2-CE2 3.31Å; F494-F539 HydrophobicContact CE2-CZ 4.06Å; F494-F539 AromaticContact CZ-CD2 3.87Å; F494-F539 HydrophobicContact CZ-CD2 3.87Å; F494-F539 AromaticContact CZ-CE2 3.75Å; F494-F539 HydrophobicContact CZ-CE2 3.75Å; L535-F539 VanDerWaalsContact O-CD2 3.23Å; L535-F539 WeakPolarHBondContact O-CD2 3.37Å; L535-F539 PolarHBondContact O-N 3.11Å; S536-F539 PolarHBondContact O-N 3.15Å; F539-D541 VanDerWaalsContact C-N 3.32Å; F539-D541 PolarHBondContact O-N 3.3Å; F539-G542 PolarHBondContact O-N 3.48Å; F539-L543 WeakPolarHBondContact O-CB 3.31Å; F539-L543 VanDerWaalsContact O-CG 3.22Å; F539-L543 WeakPolarHBondContact O-CG 3.23Å; F539-L543 PolarHBondContact O-N 2.67Å; F539-W555 HydrophobicContact CB-CE3 4.05Å; F539-W555 HydrophobicContact CB-CH2 3.89Å; F539-W555 HydrophobicContact CB-CZ2 4.47Å; F539-W555 HydrophobicContact CB-CZ3 3.68Å; F539-W555 HydrophobicContact CD1-CH2 4.46Å; F539-W555 HydrophobicContact CD2-CH2 4.17Å; F539-W555 HydrophobicContact CD2-CZ3 4.29Å; F539-W555 AromaticContact CG-CH2 3.91Å; F539-W555 HydrophobicContact CG-CH2 3.91Å; F539-W555 HydrophobicContact CG-CZ3 4.11Å
540L72.5Confident68.1Low0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-61.8-38.8174.7-17562.7000111.5S536 L537 Y538 L543 L544 C552 W555 L556 R582S536-L540 VanDerWaalsContact O-CB 3.27Å; S536-L540 WeakPolarHBondContact O-CB 3.37Å; S536-L540 PolarHBondContact O-N 3.46Å; L537-L540 HydrophobicContact CD2-CD2 4.49Å; L537-L540 PolarHBondContact O-N 3.14Å; Y538-L540 VanDerWaalsContact C-N 3.31Å; Y538-L540 PolarHBondContact O-N 3.36Å; L540-L543 PolarHBondContact O-N 3.37Å; L540-L544 HydrophobicContact CG-CD1 4.32Å; L540-L544 HydrophobicContact CG-CG 4.5Å; L540-L544 VanDerWaalsContact O-CB 3.32Å; L540-L544 WeakPolarHBondContact O-CB 3.4Å; L540-L544 WeakPolarHBondContact O-CG 3.29Å; L540-L544 PolarHBondContact O-N 2.8Å; L540-C552 HydrophobicContact CD1-CB 4.15Å; L540-W555 HydrophobicContact CD1-CB 4.23Å; L540-L556 HydrophobicContact CD2-CD1 4.42Å; L540-R582 HydrophobicContact CD2-CB 4.37Å
541D70Confident68.7Low40 Ų4048.9 Ų48.921%0.21424%0.244CC..Hα-helixtrans-65.1-40174.1-71.2-28.2000112.3S515 L537 Y538 F539 L544 N545 R582S515-D541 WeakPolarHBondContact CB-OD2 3.47Å; S515-D541 PolarHBondContact OG-OD2 3.31Å; L537-D541 PolarHBondContact O-N 3.46Å; Y538-D541 PolarHBondContact O-N 3Å; F539-D541 VanDerWaalsContact C-N 3.32Å; F539-D541 PolarHBondContact O-N 3.3Å; D541-L544 PolarHBondContact O-N 2.62Å; D541-N545 PolarHBondContact O-N 2.8Å; D541-N545 PolarHBondContact O-ND2 3.18Å; D541-R582 IonicContact OD1-CZ 3.78Å; D541-R582 IonicContact OD1-NE 2.9Å; D541-R582 IonicContact OD1-NH1 2.96Å; D541-R582 PolarHBondContact OD1-NH1 2.74Å; D541-R582 IonicContact OD1-NH2 2.68Å; D541-R582 PolarHBondContact OD1-NH2 2.91Å; D541-R582 IonicContact OD2-CZ 2.66Å; D541-R582 IonicContact OD2-NH1 2.81Å; D541-R582 IonicContact OD2-NH2 3.3Å; D541-R582 PolarHBondContact OD2-NH2 3.14Å
542G72.2Confident69.1Low35 Ų3547.9 Ų47.936%0.36124%0.237SC..Hα-helixtrans-61.6-45.317200000112.4Y538 F539 N545 L546Y538-G542 PolarHBondContact O-N 2.91Å; F539-G542 PolarHBondContact O-N 3.48Å; G542-N545 PolarHBondContact O-N 3.27Å; G542-L546 WeakPolarHBondContact O-CG 3.4Å; G542-L546 PolarHBondContact O-N 3.33Å
543L71.4Confident69.6Low29 Ų2949.6 Ų49.615%0.15224%0.242CC..Hα-helixtrans-68.8-34.3179.2-71169.1000112.8F539 L540 N545 L546 N547 T551 W555F539-L543 WeakPolarHBondContact O-CB 3.31Å; F539-L543 VanDerWaalsContact O-CG 3.22Å; F539-L543 WeakPolarHBondContact O-CG 3.23Å; F539-L543 PolarHBondContact O-N 2.67Å; L540-L543 PolarHBondContact O-N 3.37Å; L543-N545 VanDerWaalsContact C-N 3.27Å; L543-N545 PolarHBondContact O-N 3.38Å; L543-L546 PolarHBondContact O-N 3.21Å; L543-N547 PolarHBondContact O-N 3.05Å; L543-T551 HydrophobicContact CD1-CG2 3.89Å; L543-T551 HydrophobicContact CD2-CG2 3.89Å; L543-W555 HydrophobicContact CD1-CB 4.33Å; L543-W555 HydrophobicContact CD1-CD2 4.05Å; L543-W555 HydrophobicContact CD1-CG 3.7Å
544L69.6Low70Confident15 Ų1553.8 Ų53.88%0.07927%0.265CS..Hα-helixtrans-59.5-40.1174-80.6168.9000110.8L540 D541 L546 N547 R582 I585 I586 R589L540-L544 HydrophobicContact CG-CD1 4.32Å; L540-L544 HydrophobicContact CG-CG 4.5Å; L540-L544 VanDerWaalsContact O-CB 3.32Å; L540-L544 WeakPolarHBondContact O-CB 3.4Å; L540-L544 WeakPolarHBondContact O-CG 3.29Å; L540-L544 PolarHBondContact O-N 2.8Å; D541-L544 PolarHBondContact O-N 2.62Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 3.39Å; L544-N547 PolarHBondContact O-N 2.68Å; L544-N547 PolarHBondContact O-OD1 2.6Å; L544-R582 HydrophobicContact CD1-CG 4.44Å; L544-I585 HydrophobicContact CD2-CG2 4.48Å; L544-I586 HydrophobicContact CD2-CD1 4.04Å; L544-I586 HydrophobicContact CD2-CG1 3.3Å; L544-R589 PolarHBondContact O-NH1 2.99Å
545N70.3Confident70.5Confident124 Ų12452 Ų5266%0.66326%0.258SS*.Hα-helixtrans-69.1-23.3175.9-68.4-24.7000113.3D541 G542 L543D541-N545 PolarHBondContact O-N 2.8Å; D541-N545 PolarHBondContact O-ND2 3.18Å; G542-N545 PolarHBondContact O-N 3.27Å; L543-N545 VanDerWaalsContact C-N 3.27Å; L543-N545 PolarHBondContact O-N 3.38Å
546L68.2Low70.8Confident131 Ų13151.9 Ų51.969%0.68626%0.257SS*.THydrogen-bonded Turntrans-88.6-3.3178.4-64171.4000113.6G542 L543 L544 H548G542-L546 WeakPolarHBondContact O-CG 3.4Å; G542-L546 PolarHBondContact O-N 3.33Å; L543-L546 PolarHBondContact O-N 3.21Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 3.39Å; L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 2.85Å
547N66Low71.1Confident93 Ų9355.4 Ų55.450%0.49727%0.273SS..THydrogen-bonded Turntrans51.340.8178.5-68.3-29.7000114.4L543 L544 F590L543-N547 PolarHBondContact O-N 3.05Å; L544-N547 PolarHBondContact O-N 2.68Å; L544-N547 PolarHBondContact O-OD1 2.6Å; N547-F590 VanDerWaalsContact O-CZ 3.23Å; N547-F590 WeakPolarHBondContact O-CZ 3.43Å
548H67.9Low71.3Confident104 Ų10456.7 Ų56.748%0.48128%0.284SS..  trans-102.994.8177.7-154.3-87000112.9L546 R550 T551 C552L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 2.85Å; H548-R550 PolarHBondContact O-N 2.67Å; H548-T551 PolarHBondContact ND1-OG1 3.45Å; H548-T551 PolarHBondContact O-N 2.69Å; H548-C552 PolarHBondContact O-N 3.17Å; H548-C552 PolarHBondContact O-SG 2.66Å
549Y68Low71.3Confident47 Ų4753.1 Ų53.118%0.18427%0.27CS..Hα-helixtrans-52.3-54.5-171.5153.3-110.1000114.4T551 C552 K553 F590 W602Y549-T551 VanDerWaalsContact C-N 3.31Å; Y549-T551 PolarHBondContact O-N 3.05Å; Y549-C552 PolarHBondContact O-N 3.4Å; Y549-K553 HydrophobicContact CE2-CB 4.36Å; Y549-K553 HydrophobicContact CE2-CD 3.99Å; Y549-K553 WeakPolarHBondContact O-CB 3.45Å; Y549-K553 PolarHBondContact O-N 2.81Å; Y549-F590 VanDerWaalsContact CA-CZ 3.48Å; Y549-F590 VanDerWaalsContact CB-CZ 3.43Å; Y549-F590 VanDerWaalsContact N-CZ 3.25Å; Y549-W602 HydrophobicContact CD2-CE3 4.13Å; Y549-W602 HydrophobicContact CD2-CH2 4.13Å; Y549-W602 AromaticContact CD2-CZ3 3.68Å; Y549-W602 HydrophobicContact CD2-CZ3 3.68Å; Y549-W602 HydrophobicContact CE2-CD2 4.06Å; Y549-W602 AromaticContact CE2-CE3 3.5Å; Y549-W602 HydrophobicContact CE2-CE3 3.5Å; Y549-W602 HydrophobicContact CE2-CH2 4.14Å; Y549-W602 AromaticContact CE2-CZ3 3.55Å; Y549-W602 HydrophobicContact CE2-CZ3 3.55Å
550R68.7Low71.3Confident168 Ų16854.7 Ų54.763%0.63428%0.277SS*.Hα-helixtrans-63.6-40.9-171.8-68.2-176.1-173.5178.31.8111.5H548 N554H548-R550 PolarHBondContact O-N 2.67Å; R550-N554 PolarHBondContact O-N 3.26Å; R550-N554 VanDerWaalsContact O-N 3.07Å; R550-N554 PolarHBondContact O-ND2 3.49Å; R550-N554 PolarHBondContact O-OD1 3Å
551T72.5Confident71.1Confident27 Ų2759.7 Ų59.717%0.16631%0.31CS..Hα-helixtrans-68.4-48.5178.9-450000109.6L543 H548 Y549 K553 N554 W555L543-T551 HydrophobicContact CD1-CG2 3.89Å; L543-T551 HydrophobicContact CD2-CG2 3.89Å; H548-T551 PolarHBondContact ND1-OG1 3.45Å; H548-T551 PolarHBondContact O-N 2.69Å; Y549-T551 VanDerWaalsContact C-N 3.31Å; Y549-T551 PolarHBondContact O-N 3.05Å; T551-K553 VanDerWaalsContact C-N 3.3Å; T551-K553 PolarHBondContact O-N 3.12Å; T551-N554 PolarHBondContact O-N 2.89Å; T551-W555 PolarHBondContact O-N 3.41Å
552C71.8Confident70.9Confident1 Ų158.9 Ų58.91%0.00731%0.31CS..Hα-helixtrans-55.6-44.8176.9-65.90000112.2L540 H548 Y549 W555 L556 I586L540-C552 HydrophobicContact CD1-CB 4.15Å; H548-C552 PolarHBondContact O-N 3.17Å; H548-C552 PolarHBondContact O-SG 2.66Å; Y549-C552 PolarHBondContact O-N 3.4Å; C552-W555 PolarHBondContact O-N 2.87Å; C552-L556 VanDerWaalsContact O-CB 3.27Å; C552-L556 WeakPolarHBondContact O-CB 3.15Å; C552-L556 PolarHBondContact O-N 2.97Å; C552-I586 HydrophobicContact CB-CD1 3.86Å; C552-I586 HydrophobicContact CB-CG1 4.37Å; C552-I586 HydrophobicContact CB-CG2 4.44Å
553K73.2Confident70.4Confident66 Ų6659 Ų5929%0.28730%0.302SS..Hα-helixtrans-62.4-46177.9-173.5179.3-179.3177.70112.4Y549 T551 W555 L556 E557Y549-K553 HydrophobicContact CE2-CB 4.36Å; Y549-K553 HydrophobicContact CE2-CD 3.99Å; Y549-K553 WeakPolarHBondContact O-CB 3.45Å; Y549-K553 PolarHBondContact O-N 2.81Å; T551-K553 VanDerWaalsContact C-N 3.3Å; T551-K553 PolarHBondContact O-N 3.12Å; K553-W555 VanDerWaalsContact C-N 3.33Å; K553-W555 PolarHBondContact O-N 3.26Å; K553-L556 PolarHBondContact O-N 3.44Å; K553-E557 PolarHBondContact O-N 3.14Å
554N75.9Confident69.7Low95 Ų9559 Ų5951%0.50830%0.304SS..Hα-helixtrans-62.1-41.7178.1-70-9000111.6P491 R550 T551 A558P491-N554 HydrophobicContact CG-CB 4.39Å; R550-N554 PolarHBondContact O-N 3.26Å; R550-N554 VanDerWaalsContact O-N 3.07Å; R550-N554 PolarHBondContact O-ND2 3.49Å; R550-N554 PolarHBondContact O-OD1 3Å; T551-N554 PolarHBondContact O-N 2.89Å; N554-A558 VanDerWaalsContact O-CB 3.32Å; N554-A558 WeakPolarHBondContact O-CB 3.46Å; N554-A558 PolarHBondContact O-N 3.13Å
555W74.4Confident69.1Low1 Ų163.9 Ų63.90%0.00434%0.336CS..Hα-helixtrans-66.7-37175.7-82.180.5000112.3T489 P491 F494 F539 L540 L543 T551 C552 K553 A558 C559T489-W555 PolarHBondContact O-NE1 3.07Å; P491-W555 HydrophobicContact CB-CD2 4.41Å; P491-W555 HydrophobicContact CG-CB 4.36Å; P491-W555 HydrophobicContact CG-CD2 3.94Å; P491-W555 HydrophobicContact CG-CG 3.81Å; F494-W555 HydrophobicContact CB-CH2 3.7Å; F494-W555 HydrophobicContact CB-CZ2 4.29Å; F494-W555 HydrophobicContact CB-CZ3 4.39Å; F494-W555 AromaticContact CD1-CH2 3.9Å; F494-W555 HydrophobicContact CD1-CH2 3.9Å; F494-W555 AromaticContact CD1-CZ3 3.89Å; F494-W555 HydrophobicContact CD1-CZ3 3.89Å; F494-W555 AromaticContact CD2-CH2 3.76Å; F494-W555 HydrophobicContact CD2-CH2 3.76Å; F494-W555 HydrophobicContact CD2-CZ3 4.48Å; F494-W555 HydrophobicContact CE1-CZ3 4.32Å; F494-W555 HydrophobicContact CE2-CH2 4.39Å; F494-W555 AromaticContact CG-CH2 3.49Å; F494-W555 HydrophobicContact CG-CH2 3.49Å; F494-W555 VanDerWaalsContact CG-CH2 3.49Å; F494-W555 HydrophobicContact CG-CZ2 4.49Å; F494-W555 AromaticContact CG-CZ3 3.99Å; F494-W555 HydrophobicContact CG-CZ3 3.99Å; F539-W555 HydrophobicContact CB-CE3 4.05Å; F539-W555 HydrophobicContact CB-CH2 3.89Å; F539-W555 HydrophobicContact CB-CZ2 4.47Å; F539-W555 HydrophobicContact CB-CZ3 3.68Å; F539-W555 HydrophobicContact CD1-CH2 4.46Å; F539-W555 HydrophobicContact CD2-CH2 4.17Å; F539-W555 HydrophobicContact CD2-CZ3 4.29Å; F539-W555 AromaticContact CG-CH2 3.91Å; F539-W555 HydrophobicContact CG-CH2 3.91Å; F539-W555 HydrophobicContact CG-CZ3 4.11Å; L540-W555 HydrophobicContact CD1-CB 4.23Å; L543-W555 HydrophobicContact CD1-CB 4.33Å; L543-W555 HydrophobicContact CD1-CD2 4.05Å; L543-W555 HydrophobicContact CD1-CG 3.7Å; T551-W555 PolarHBondContact O-N 3.41Å; C552-W555 PolarHBondContact O-N 2.87Å; K553-W555 VanDerWaalsContact C-N 3.33Å; K553-W555 PolarHBondContact O-N 3.26Å; W555-A558 PolarHBondContact O-N 2.72Å; W555-C559 PolarHBondContact O-N 3.48Å; W555-C559 PolarHBondContact O-SG 3.49Å
556L74.5Confident68.2Low2 Ų263.2 Ų63.21%0.0134%0.337CS..Hα-helixtrans-66.9-44.8176.3-167.3140.1000111.8L540 C552 K553 A558 C559 K560 R582 E583 I586L540-L556 HydrophobicContact CD2-CD1 4.42Å; C552-L556 VanDerWaalsContact O-CB 3.27Å; C552-L556 WeakPolarHBondContact O-CB 3.15Å; C552-L556 PolarHBondContact O-N 2.97Å; K553-L556 PolarHBondContact O-N 3.44Å; L556-A558 VanDerWaalsContact C-N 3.35Å; L556-C559 WeakPolarHBondContact O-CB 3.33Å; L556-C559 PolarHBondContact O-N 3.1Å; L556-K560 HydrophobicContact CD2-CD 4.08Å; L556-K560 WeakPolarHBondContact O-CG 3.25Å; L556-K560 PolarHBondContact O-N 3.4Å; L556-R582 HydrophobicContact CD1-CB 4.25Å; L556-E583 HydrophobicContact CD1-CB 3.79Å; L556-E583 HydrophobicContact CD1-CG 4.43Å; L556-E583 HydrophobicContact CD2-CB 4.2Å; L556-E583 HydrophobicContact CD2-CG 4.28Å; L556-I586 HydrophobicContact CD1-CD1 3.78Å
557E74.6Confident67.8Low81 Ų8158.4 Ų58.438%0.37931%0.313SS..Hα-helixtrans-62.2-40.8172.1-75.5-58.4143.400112K553 C559 K560 C561K553-E557 PolarHBondContact O-N 3.14Å; E557-C559 VanDerWaalsContact C-N 3.33Å; E557-C559 PolarHBondContact O-N 3.1Å; E557-K560 WeakPolarHBondContact O-CB 3.45Å; E557-K560 PolarHBondContact O-N 2.79Å; E557-K560 IonicContact OE1-NZ 3.58Å; E557-C561 PolarHBondContact O-N 3.43Å; E557-C561 PolarHBondContact O-SG 3.41Å; E557-C561 VanDerWaalsContact O-SG 3.34Å
558A72.2Confident67.5Low28 Ų2857.3 Ų57.323%0.23131%0.313CS..Hα-helixtrans-65.2-35.8175.800000113P491 N554 W555 L556 C561 A562P491-A558 HydrophobicContact CB-CB 3.14Å; P491-A558 HydrophobicContact CG-CB 3.61Å; N554-A558 VanDerWaalsContact O-CB 3.32Å; N554-A558 WeakPolarHBondContact O-CB 3.46Å; N554-A558 PolarHBondContact O-N 3.13Å; W555-A558 PolarHBondContact O-N 2.72Å; L556-A558 VanDerWaalsContact C-N 3.35Å; A558-C561 PolarHBondContact O-N 3.15Å; A558-A562 VanDerWaalsContact O-CB 3.26Å; A558-A562 WeakPolarHBondContact O-CB 3.34Å; A558-A562 PolarHBondContact O-N 3.32Å
559C71.9Confident67.3Low1 Ų158.7 Ų58.71%0.00732%0.324CS..Hα-helixtrans-64.3-42.6171.7-67.40000111.3S536 W555 L556 E557 A562 L563 L579S536-C559 WeakPolarHBondContact CB-SG 3.29Å; W555-C559 PolarHBondContact O-N 3.48Å; W555-C559 PolarHBondContact O-SG 3.49Å; L556-C559 WeakPolarHBondContact O-CB 3.33Å; L556-C559 PolarHBondContact O-N 3.1Å; E557-C559 VanDerWaalsContact C-N 3.33Å; E557-C559 PolarHBondContact O-N 3.1Å; C559-A562 PolarHBondContact O-N 3.04Å; C559-L563 PolarHBondContact O-N 2.78Å; C559-L579 HydrophobicContact CB-CD1 4.28Å; C559-L579 HydrophobicContact CB-CD2 3.58Å
560K70.7Confident67.1Low61 Ų6162.5 Ų62.527%0.26534%0.339SS..Hα-helixtrans-60.2-44.2174.5-71.7175.1178.5170.20111.6L556 E557 A562 L563 L579 E583L556-K560 HydrophobicContact CD2-CD 4.08Å; L556-K560 WeakPolarHBondContact O-CG 3.25Å; L556-K560 PolarHBondContact O-N 3.4Å; E557-K560 WeakPolarHBondContact O-CB 3.45Å; E557-K560 PolarHBondContact O-N 2.79Å; E557-K560 IonicContact OE1-NZ 3.58Å; K560-A562 VanDerWaalsContact C-N 3.35Å; K560-A562 PolarHBondContact O-N 2.87Å; K560-L563 WeakPolarHBondContact O-CB 3.39Å; K560-L563 PolarHBondContact O-N 3.01Å; K560-L579 HydrophobicContact CG-CD1 4.02Å; K560-E583 IonicContact NZ-OE1 3.98Å; K560-E583 IonicContact NZ-OE2 3.98Å; K560-E583 PolarHBondContact NZ-OE2 2.94Å
561C69.9Low66.8Low104 Ų10455.6 Ų55.670%0.70331%0.314SS*.Hα-helixtrans-74.1-20.8178.4-64.60000114.2E557 A558 L563E557-C561 PolarHBondContact O-N 3.43Å; E557-C561 PolarHBondContact O-SG 3.41Å; E557-C561 VanDerWaalsContact O-SG 3.34Å; A558-C561 PolarHBondContact O-N 3.15Å; C561-L563 VanDerWaalsContact C-N 3.28Å
562A64.3Low66.5Low24 Ų2457.2 Ų57.220%0.19832%0.321CS..Hα-helixtrans-79.1-12.6177.400000113.1V532 A558 C559 K560 S564V532-A562 HydrophobicContact CG1-CB 4.45Å; A558-A562 VanDerWaalsContact O-CB 3.26Å; A558-A562 WeakPolarHBondContact O-CB 3.34Å; A558-A562 PolarHBondContact O-N 3.32Å; C559-A562 PolarHBondContact O-N 3.04Å; K560-A562 VanDerWaalsContact C-N 3.35Å; K560-A562 PolarHBondContact O-N 2.87Å; A562-S564 PolarHBondContact O-N 3.4Å; A562-S564 VanDerWaalsContact O-N 3.11Å
563L62.3Low66.2Low38 Ų3859.3 Ų59.320%0.19934%0.338CS..  trans-70.999.6172.6-77163.2000109.9C559 K560 C561 L575 L579C559-L563 PolarHBondContact O-N 2.78Å; K560-L563 WeakPolarHBondContact O-CB 3.39Å; K560-L563 PolarHBondContact O-N 3.01Å; C561-L563 VanDerWaalsContact C-N 3.28Å; L563-L575 HydrophobicContact CD1-CD2 4.3Å; L563-L575 HydrophobicContact CD1-CG 4.32Å; L563-L575 HydrophobicContact CD2-CD2 3.23Å; L563-L575 HydrophobicContact CD2-CG 4.06Å; L563-L575 HydrophobicContact CG-CD2 4.11Å; L563-L579 HydrophobicContact CD1-CD1 3.78Å
564S56.5Low65.9Low28 Ų2858.4 Ų58.420%0.19634%0.335CS..  trans-72.4141.1173.8176.20000110.9E529 A562 T566 T567E529-S564 VanDerWaalsContact CD-CB 3.48Å; E529-S564 WeakPolarHBondContact OE1-CB 3.47Å; E529-S564 PolarHBondContact OE1-OG 2.89Å; E529-S564 WeakPolarHBondContact OE2-CB 3.3Å; A562-S564 PolarHBondContact O-N 3.4Å; A562-S564 VanDerWaalsContact O-N 3.11Å; S564-T566 PolarHBondContact O-N 2.99Å; S564-T566 PolarHBondContact OG-N 3.23Å; S564-T566 PolarHBondContact OG-OG1 3.21Å; S564-T567 PolarHBondContact O-N 2.93Å; S564-T567 VanDerWaalsContact O-N 3.13Å; S564-T567 PolarHBondContact O-OG1 3.33Å; S564-T567 VanDerWaalsContact O-OG1 3.07Å
565P57.1Low65.4Low117 Ų11754.5 Ų54.576%0.7631%0.314SS*.THydrogen-bonded Turntrans-61.5-6.1175.925.1-34.2000114.3T567P565-T567 VanDerWaalsContact C-N 3.3Å
566T52.2Low65.3Low110 Ų11055.9 Ų55.968%0.67533%0.328SS*.THydrogen-bonded Turntrans-80.7-6174.849.40000114.2E529 S564E529-T566 PolarHBondContact OE2-OG1 3.33Å; S564-T566 PolarHBondContact O-N 2.99Å; S564-T566 PolarHBondContact OG-N 3.23Å; S564-T566 PolarHBondContact OG-OG1 3.21Å
567T58.1Low65.3Low31 Ų3157.7 Ų57.719%0.1934%0.338CS..SBendtrans-80.5137.6-179.9-51.30000110.4S564 P565 N569 I571 M572S564-T567 PolarHBondContact O-N 2.93Å; S564-T567 VanDerWaalsContact O-N 3.13Å; S564-T567 PolarHBondContact O-OG1 3.33Å; S564-T567 VanDerWaalsContact O-OG1 3.07Å; P565-T567 VanDerWaalsContact C-N 3.3Å; T567-N569 PolarHBondContact O-N 3.18Å; T567-I571 HydrophobicContact CG2-CB 3.83Å; T567-I571 HydrophobicContact CG2-CG2 3.65Å; T567-M572 HydrophobicContact CG2-CG 4.06Å
568S61.3Low65.1Low70 Ų7054.4 Ų54.449%0.4932%0.323SS..  trans-48.1133.4178175.10000111.5Y570 I571 M572S568-Y570 PolarHBondContact O-N 2.85Å; S568-I571 PolarHBondContact O-N 3.46Å; S568-M572 PolarHBondContact O-N 3.48Å
569N63.4Low65.2Low133 Ų13353.2 Ų53.271%0.71131%0.313SS*.Hα-helixtrans-49.7-34.6179.4-72.4-17.2000112.6T567 A573T567-N569 PolarHBondContact O-N 3.18Å; N569-A573 WeakPolarHBondContact O-CB 3.46Å; N569-A573 PolarHBondContact O-N 2.95Å
570Y62.7Low65.6Low127 Ų12754.1 Ų54.150%0.49832%0.316SS..Hα-helixtrans-64.3-48.5176.1178.8-102.2000112.3S568 M572 A573 E574S568-Y570 PolarHBondContact O-N 2.85Å; Y570-M572 VanDerWaalsContact C-N 3.32Å; Y570-M572 PolarHBondContact O-N 3.13Å; Y570-A573 PolarHBondContact O-N 2.71Å; Y570-E574 HydrophobicContact CE1-CG 4.06Å; Y570-E574 HydrophobicContact CE2-CG 4.06Å; Y570-E574 WeakPolarHBondContact O-CG 3.42Å; Y570-E574 PolarHBondContact O-N 3.04Å
571I62.9Low66Low23 Ų2353.5 Ų53.512%0.11831%0.312CS..Hα-helixtrans-67.4-36.2178.9-61.7173.2000110.2Q524 L525 T567 S568 L575Q524-I571 HydrophobicContact CB-CD1 4.1Å; L525-I571 HydrophobicContact CD2-CG2 4Å; T567-I571 HydrophobicContact CG2-CB 3.83Å; T567-I571 HydrophobicContact CG2-CG2 3.65Å; S568-I571 PolarHBondContact O-N 3.46Å; I571-L575 WeakPolarHBondContact O-CB 3.46Å; I571-L575 PolarHBondContact O-N 3Å
572M65.6Low66.4Low60 Ų6048.5 Ų48.530%0.29628%0.279SS..Hα-helixtrans-64.8-39.2174.4-69.7-138.9-65.400112.5T567 S568 Y570 G576T567-M572 HydrophobicContact CG2-CG 4.06Å; S568-M572 PolarHBondContact O-N 3.48Å; Y570-M572 VanDerWaalsContact C-N 3.32Å; Y570-M572 PolarHBondContact O-N 3.13Å; M572-G576 WeakPolarHBondContact O-CA 3.31Å; M572-G576 PolarHBondContact O-N 3.16Å
573A67.2Low67.2Low46 Ų4647.7 Ų47.738%0.3827%0.271SS..Hα-helixtrans-67.3-4917700000111.8N569 Y570 G576 N577N569-A573 WeakPolarHBondContact O-CB 3.46Å; N569-A573 PolarHBondContact O-N 2.95Å; Y570-A573 PolarHBondContact O-N 2.71Å; A573-G576 PolarHBondContact O-N 3.18Å; A573-N577 VanDerWaalsContact O-CG 3.32Å; A573-N577 PolarHBondContact O-N 3.39Å; A573-N577 PolarHBondContact O-ND2 2.63Å
574E65.6Low68.3Low46 Ų4645.9 Ų45.922%0.21526%0.262CS..Hα-helixtrans-63.8-44.6179.4-72-63158.900112.5F521 Y570 G576 N577 E578F521-E574 HydrophobicContact CE1-CB 3.53Å; F521-E574 HydrophobicContact CE1-CG 3.97Å; F521-E574 HydrophobicContact CZ-CB 3.7Å; F521-E574 HydrophobicContact CZ-CG 4.29Å; Y570-E574 HydrophobicContact CE1-CG 4.06Å; Y570-E574 HydrophobicContact CE2-CG 4.06Å; Y570-E574 WeakPolarHBondContact O-CG 3.42Å; Y570-E574 PolarHBondContact O-N 3.04Å; E574-G576 VanDerWaalsContact C-N 3.32Å; E574-G576 PolarHBondContact O-N 3.21Å; E574-N577 WeakPolarHBondContact O-CB 3.36Å; E574-N577 PolarHBondContact O-N 3.1Å; E574-E578 PolarHBondContact O-N 2.62Å
575L66.3Low69.4Low13 Ų1345.6 Ų45.67%0.06826%0.257CS..Hα-helixtrans-68.9-32.7175.8-177.253.6000112V533 L537 L563 I571 E578 L579V533-L575 HydrophobicContact CG1-CD1 3.88Å; V533-L575 HydrophobicContact CG1-CD2 3.54Å; V533-L575 HydrophobicContact CG1-CG 4.36Å; V533-L575 HydrophobicContact CG2-CD2 4.38Å; L537-L575 HydrophobicContact CD1-CD1 3.86Å; L563-L575 HydrophobicContact CD1-CD2 4.3Å; L563-L575 HydrophobicContact CD1-CG 4.32Å; L563-L575 HydrophobicContact CD2-CD2 3.23Å; L563-L575 HydrophobicContact CD2-CG 4.06Å; L563-L575 HydrophobicContact CG-CD2 4.11Å; I571-L575 WeakPolarHBondContact O-CB 3.46Å; I571-L575 PolarHBondContact O-N 3Å; L575-E578 PolarHBondContact O-N 3.39Å; L575-L579 HydrophobicContact CD1-CG 4.35Å; L575-L579 HydrophobicContact CG-CD1 4.39Å; L575-L579 WeakPolarHBondContact O-CB 3.35Å; L575-L579 VanDerWaalsContact O-CG 3.26Å; L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 3.24Å
576G72.3Confident70.5Confident30 Ų3040.1 Ų40.131%0.30922%0.222SC..Hα-helixtrans-60.3-45.5170.300000112M572 A573 E574 L579 F580M572-G576 WeakPolarHBondContact O-CA 3.31Å; M572-G576 PolarHBondContact O-N 3.16Å; A573-G576 PolarHBondContact O-N 3.18Å; E574-G576 VanDerWaalsContact C-N 3.32Å; E574-G576 PolarHBondContact O-N 3.21Å; G576-L579 PolarHBondContact O-N 2.84Å; G576-F580 VanDerWaalsContact O-CB 3.26Å; G576-F580 WeakPolarHBondContact O-CB 3.48Å; G576-F580 PolarHBondContact O-N 3.44Å
577N73.5Confident72Confident41 Ų4135 Ų3522%0.21919%0.19CC..Hα-helixtrans-62.3-42175.6-70-22.6000111.8A573 E574 F580 R581 Y613 L630A573-N577 VanDerWaalsContact O-CG 3.32Å; A573-N577 PolarHBondContact O-N 3.39Å; A573-N577 PolarHBondContact O-ND2 2.63Å; E574-N577 WeakPolarHBondContact O-CB 3.36Å; E574-N577 PolarHBondContact O-N 3.1Å; N577-F580 PolarHBondContact O-N 3.08Å; N577-R581 WeakPolarHBondContact O-CB 3.43Å; N577-R581 PolarHBondContact O-N 3.13Å; N577-Y613 WeakPolarHBondContact OD1-CE2 3.45Å; N577-L630 HydrophobicContact CB-CD2 4.04Å
578E70.9Confident73.2Confident11 Ų1134 Ų345%0.05118%0.183CC..Hα-helixtrans-67.7-41.5177.9177.255.2-159.600112.5A517 E574 L575 F580 R581 R582A517-E578 HydrophobicContact CB-CG 4.37Å; A517-E578 VanDerWaalsContact CB-OE1 3.24Å; A517-E578 WeakPolarHBondContact CB-OE1 3.48Å; E574-E578 PolarHBondContact O-N 2.62Å; L575-E578 PolarHBondContact O-N 3.39Å; E578-F580 VanDerWaalsContact C-N 3.33Å; E578-R581 WeakPolarHBondContact O-CB 3.21Å; E578-R581 PolarHBondContact O-N 3.16Å; E578-R581 IonicContact OE1-CZ 3.69Å; E578-R581 IonicContact OE1-NE 3.08Å; E578-R581 IonicContact OE1-NH2 3.09Å; E578-R581 PolarHBondContact OE1-NH2 3Å; E578-R581 IonicContact OE2-CZ 3.05Å; E578-R581 IonicContact OE2-NE 3.67Å; E578-R581 PolarHBondContact OE2-NE 3.38Å; E578-R581 IonicContact OE2-NH2 3.95Å; E578-R581 PolarHBondContact OE2-NH2 3.33Å; E578-R582 WeakPolarHBondContact O-CG 3.26Å; E578-R582 PolarHBondContact O-N 2.91Å; E578-R582 IonicContact OE1-CZ 3.93Å; E578-R582 IonicContact OE1-NE 3.6Å; E578-R582 PolarHBondContact OE1-NE 3.36Å; E578-R582 IonicContact OE1-NH2 3.92Å; E578-R582 PolarHBondContact OE1-NH2 3.48Å
579L74.1Confident74Confident4 Ų436 Ų362%0.02118%0.18CC..Hα-helixtrans-63.9-40.6173.7-72.9173.6000111.5L537 C559 K560 L563 L575 G576 R582 E583L537-L579 HydrophobicContact CD2-CD2 3.85Å; C559-L579 HydrophobicContact CB-CD1 4.28Å; C559-L579 HydrophobicContact CB-CD2 3.58Å; K560-L579 HydrophobicContact CG-CD1 4.02Å; L563-L579 HydrophobicContact CD1-CD1 3.78Å; L575-L579 HydrophobicContact CD1-CG 4.35Å; L575-L579 HydrophobicContact CG-CD1 4.39Å; L575-L579 WeakPolarHBondContact O-CB 3.35Å; L575-L579 VanDerWaalsContact O-CG 3.26Å; L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 3.24Å; G576-L579 PolarHBondContact O-N 2.84Å; L579-R582 PolarHBondContact O-N 2.93Å; L579-E583 WeakPolarHBondContact O-CB 3.46Å; L579-E583 PolarHBondContact O-N 2.98Å
580F80.2Confident74.6Confident19 Ų1931.2 Ų31.28%0.08315%0.153CC..Hα-helixtrans-67-41.1176.6-177.9-126000112.2G576 N577 E578 R582 E583 L584 I606 N609 V610 Y613 L630 V634G576-F580 VanDerWaalsContact O-CB 3.26Å; G576-F580 WeakPolarHBondContact O-CB 3.48Å; G576-F580 PolarHBondContact O-N 3.44Å; N577-F580 PolarHBondContact O-N 3.08Å; E578-F580 VanDerWaalsContact C-N 3.33Å; F580-R582 VanDerWaalsContact C-N 3.31Å; F580-R582 PolarHBondContact O-N 2.97Å; F580-E583 WeakPolarHBondContact O-CB 2.99Å; F580-E583 PolarHBondContact O-N 3.29Å; F580-E583 VanDerWaalsContact O-N 3.16Å; F580-L584 HydrophobicContact CD1-CD1 4.18Å; F580-L584 HydrophobicContact CE1-CD1 3.73Å; F580-L584 HydrophobicContact CE2-CD1 4.21Å; F580-L584 HydrophobicContact CE2-CD2 4.46Å; F580-L584 HydrophobicContact CE2-CG 4.13Å; F580-L584 HydrophobicContact CZ-CD1 3.75Å; F580-L584 HydrophobicContact CZ-CD2 4.4Å; F580-L584 HydrophobicContact CZ-CG 4.13Å; F580-L584 PolarHBondContact O-N 3.42Å; F580-I606 HydrophobicContact CE2-CG2 4.5Å; F580-N609 HydrophobicContact CD2-CB 4.23Å; F580-N609 HydrophobicContact CE2-CB 3.69Å; F580-N609 HydrophobicContact CZ-CB 4.38Å; F580-V610 HydrophobicContact CE2-CG2 4.22Å; F580-V610 HydrophobicContact CZ-CB 4.26Å; F580-V610 HydrophobicContact CZ-CG2 3.58Å; F580-Y613 HydrophobicContact CD1-CD2 4.26Å; F580-Y613 HydrophobicContact CD1-CG 4.24Å; F580-Y613 HydrophobicContact CE1-CD1 4.15Å; F580-Y613 HydrophobicContact CE1-CD2 4.34Å; F580-Y613 AromaticContact CE1-CG 3.86Å; F580-Y613 HydrophobicContact CE1-CG 3.86Å; F580-L630 HydrophobicContact CD1-CD1 4Å; F580-L630 HydrophobicContact CE1-CD1 4.37Å; F580-V634 HydrophobicContact CE1-CG2 3.84Å; F580-V634 HydrophobicContact CZ-CG2 4.4Å
581R80.2Confident75.2Confident48 Ų4827.6 Ų27.618%0.18114%0.142CC..Hα-helixtrans-55-46.9172-169.5-173.170.684.22.9111.2N577 E578 L584 I585 Y629 L630 L633N577-R581 WeakPolarHBondContact O-CB 3.43Å; N577-R581 PolarHBondContact O-N 3.13Å; E578-R581 WeakPolarHBondContact O-CB 3.21Å; E578-R581 PolarHBondContact O-N 3.16Å; E578-R581 IonicContact OE1-CZ 3.69Å; E578-R581 IonicContact OE1-NE 3.08Å; E578-R581 IonicContact OE1-NH2 3.09Å; E578-R581 PolarHBondContact OE1-NH2 3Å; E578-R581 IonicContact OE2-CZ 3.05Å; E578-R581 IonicContact OE2-NE 3.67Å; E578-R581 PolarHBondContact OE2-NE 3.38Å; E578-R581 IonicContact OE2-NH2 3.95Å; E578-R581 PolarHBondContact OE2-NH2 3.33Å; R581-L584 PolarHBondContact O-N 2.84Å; R581-I585 HydrophobicContact CG-CD1 4.35Å; R581-I585 VanDerWaalsContact NH1-CD1 3.31Å; R581-I585 VanDerWaalsContact O-CG1 3.3Å; R581-I585 WeakPolarHBondContact O-CG1 3.31Å; R581-I585 PolarHBondContact O-N 2.76Å; R581-Y629 HydrophobicContact CG-CD1 4.39Å; R581-L630 HydrophobicContact CB-CD1 3.89Å; R581-L630 HydrophobicContact CG-CD1 4.21Å; R581-L633 HydrophobicContact CG-CD1 3.76Å
582R77.4Confident75.2Confident0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-65.6-41.7177-68.9171.8179.2-128.1-3.2111.7S515 L537 L540 D541 L544 L556 E578 L579 F580 L584 I585 I586S515-R582 PolarHBondContact OG-NH2 3.49Å; S515-R582 VanDerWaalsContact OG-NH2 3.09Å; L537-R582 PolarHBondContact O-NH1 3.3Å; L540-R582 HydrophobicContact CD2-CB 4.37Å; D541-R582 IonicContact OD1-CZ 3.78Å; D541-R582 IonicContact OD1-NE 2.9Å; D541-R582 IonicContact OD1-NH1 2.96Å; D541-R582 PolarHBondContact OD1-NH1 2.74Å; D541-R582 IonicContact OD1-NH2 2.68Å; D541-R582 PolarHBondContact OD1-NH2 2.91Å; D541-R582 IonicContact OD2-CZ 2.66Å; D541-R582 IonicContact OD2-NH1 2.81Å; D541-R582 IonicContact OD2-NH2 3.3Å; D541-R582 PolarHBondContact OD2-NH2 3.14Å; L544-R582 HydrophobicContact CD1-CG 4.44Å; L556-R582 HydrophobicContact CD1-CB 4.25Å; E578-R582 WeakPolarHBondContact O-CG 3.26Å; E578-R582 PolarHBondContact O-N 2.91Å; E578-R582 IonicContact OE1-CZ 3.93Å; E578-R582 IonicContact OE1-NE 3.6Å; E578-R582 PolarHBondContact OE1-NE 3.36Å; E578-R582 IonicContact OE1-NH2 3.92Å; E578-R582 PolarHBondContact OE1-NH2 3.48Å; L579-R582 PolarHBondContact O-N 2.93Å; F580-R582 VanDerWaalsContact C-N 3.31Å; F580-R582 PolarHBondContact O-N 2.97Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 3.07Å; R582-I585 PolarHBondContact O-N 2.95Å; R582-I586 WeakPolarHBondContact O-CG1 3.47Å; R582-I586 PolarHBondContact O-N 2.96Å
583E81.4Confident74.7Confident7 Ų728.5 Ų28.53%0.03315%0.154CC..Hα-helixtrans-57.4-43.4175.5-169.4168.2-169.800111.7L556 K560 L579 F580 I586 W587 W602 I606L556-E583 HydrophobicContact CD1-CB 3.79Å; L556-E583 HydrophobicContact CD1-CG 4.43Å; L556-E583 HydrophobicContact CD2-CB 4.2Å; L556-E583 HydrophobicContact CD2-CG 4.28Å; K560-E583 IonicContact NZ-OE1 3.98Å; K560-E583 IonicContact NZ-OE2 3.98Å; K560-E583 PolarHBondContact NZ-OE2 2.94Å; L579-E583 WeakPolarHBondContact O-CB 3.46Å; L579-E583 PolarHBondContact O-N 2.98Å; F580-E583 WeakPolarHBondContact O-CB 2.99Å; F580-E583 PolarHBondContact O-N 3.29Å; F580-E583 VanDerWaalsContact O-N 3.16Å; E583-I586 PolarHBondContact O-N 3.35Å; E583-W587 PolarHBondContact O-N 3.21Å; E583-W602 HydrophobicContact CG-CZ2 4.47Å; E583-W602 PolarHBondContact OE1-NE1 3Å; E583-I606 HydrophobicContact CG-CD1 4.11Å; E583-I606 HydrophobicContact CG-CG1 4.12Å
584L84.4Confident74.1Confident0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-66.5-40.3175.1-73.4170.3000113F580 R581 R582 I586 W587 H588 I606 V610 L630 L633 V634 F637F580-L584 HydrophobicContact CD1-CD1 4.18Å; F580-L584 HydrophobicContact CE1-CD1 3.73Å; F580-L584 HydrophobicContact CE2-CD1 4.21Å; F580-L584 HydrophobicContact CE2-CD2 4.46Å; F580-L584 HydrophobicContact CE2-CG 4.13Å; F580-L584 HydrophobicContact CZ-CD1 3.75Å; F580-L584 HydrophobicContact CZ-CD2 4.4Å; F580-L584 HydrophobicContact CZ-CG 4.13Å; F580-L584 PolarHBondContact O-N 3.42Å; R581-L584 PolarHBondContact O-N 2.84Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 3.07Å; L584-I586 VanDerWaalsContact C-N 3.33Å; L584-I586 PolarHBondContact O-N 3.03Å; L584-W587 PolarHBondContact O-N 3.28Å; L584-H588 PolarHBondContact O-CD2 3.05Å; L584-H588 PolarHBondContact O-N 2.64Å; L584-I606 HydrophobicContact CD2-CG2 3.69Å; L584-V610 HydrophobicContact CD2-CG2 4.17Å; L584-L630 HydrophobicContact CD1-CD1 3.85Å; L584-L633 HydrophobicContact CB-CB 4.13Å; L584-L633 HydrophobicContact CB-CD1 4.31Å; L584-L633 HydrophobicContact CD1-CB 4.02Å; L584-V634 HydrophobicContact CD1-CG2 3.61Å; L584-F637 HydrophobicContact CD2-CB 4.06Å; L584-F637 HydrophobicContact CD2-CD2 3.88Å; L584-F637 HydrophobicContact CD2-CG 4.09Å
585I81.6Confident73.7Confident21 Ų2136.3 Ų36.311%0.10819%0.188CC..Hα-helixtrans-61-44.6175.2-68.8164.7000110.7L544 R581 R582 W587 H588 R589 Y629 L633L544-I585 HydrophobicContact CD2-CG2 4.48Å; R581-I585 HydrophobicContact CG-CD1 4.35Å; R581-I585 VanDerWaalsContact NH1-CD1 3.31Å; R581-I585 VanDerWaalsContact O-CG1 3.3Å; R581-I585 WeakPolarHBondContact O-CG1 3.31Å; R581-I585 PolarHBondContact O-N 2.76Å; R582-I585 PolarHBondContact O-N 2.95Å; I585-W587 VanDerWaalsContact C-N 3.33Å; I585-H588 PolarHBondContact O-N 3.26Å; I585-R589 WeakPolarHBondContact O-CG 3.4Å; I585-R589 PolarHBondContact O-N 3.49Å; I585-R589 VanDerWaalsContact O-N 3.08Å; I585-Y629 HydrophobicContact CD1-CE1 4.15Å; I585-Y629 HydrophobicContact CG1-CE1 4.44Å; I585-L633 HydrophobicContact CD1-CD1 4.31Å; I585-L633 HydrophobicContact CG1-CD1 3.72Å; I585-L633 HydrophobicContact CG1-CD2 4.26Å
586I79.4Confident73.5Confident2 Ų244.2 Ų44.21%0.0122%0.222CC..Hα-helixtrans-58.9-50.8175.7-60163.1000107.8L544 C552 L556 R582 E583 L584 H588 R589 F590 W602L544-I586 HydrophobicContact CD2-CD1 4.04Å; L544-I586 HydrophobicContact CD2-CG1 3.3Å; C552-I586 HydrophobicContact CB-CD1 3.86Å; C552-I586 HydrophobicContact CB-CG1 4.37Å; C552-I586 HydrophobicContact CB-CG2 4.44Å; L556-I586 HydrophobicContact CD1-CD1 3.78Å; R582-I586 WeakPolarHBondContact O-CG1 3.47Å; R582-I586 PolarHBondContact O-N 2.96Å; E583-I586 PolarHBondContact O-N 3.35Å; L584-I586 VanDerWaalsContact C-N 3.33Å; L584-I586 PolarHBondContact O-N 3.03Å; I586-H588 PolarHBondContact O-N 3Å; I586-R589 PolarHBondContact O-N 3.21Å; I586-F590 HydrophobicContact CG2-CD2 3.64Å; I586-F590 HydrophobicContact CG2-CE2 3.67Å; I586-F590 WeakPolarHBondContact O-CD2 3.43Å; I586-F590 PolarHBondContact O-N 3.24Å; I586-F590 VanDerWaalsContact O-N 3.08Å; I586-W602 HydrophobicContact CB-CH2 4.04Å; I586-W602 HydrophobicContact CB-CZ2 4.32Å; I586-W602 HydrophobicContact CG2-CH2 3.47Å; I586-W602 VanDerWaalsContact CG2-CH2 3.47Å; I586-W602 HydrophobicContact CG2-CZ2 4.01Å; I586-W602 HydrophobicContact CG2-CZ3 4.47Å
587W84.4Confident73Confident3 Ų353.4 Ų53.41%0.01125%0.248CC..Hα-helixtrans-57.2-49.3-179.1-17586.4000113.2E583 L584 I585 R589 F590 L591 F599 W602 T603 I606 F637 N640 T641E583-W587 PolarHBondContact O-N 3.21Å; L584-W587 PolarHBondContact O-N 3.28Å; I585-W587 VanDerWaalsContact C-N 3.33Å; W587-R589 VanDerWaalsContact C-N 3.31Å; W587-R589 PolarHBondContact O-N 3.33Å; W587-F590 PolarHBondContact O-N 2.9Å; W587-F590 VanDerWaalsContact O-N 3.16Å; W587-L591 HydrophobicContact CH2-CD1 3.95Å; W587-L591 HydrophobicContact CH2-CD2 3.86Å; W587-L591 HydrophobicContact CH2-CG 4.49Å; W587-L591 HydrophobicContact CZ2-CD1 3.9Å; W587-L591 HydrophobicContact CZ3-CD2 3.95Å; W587-L591 PolarHBondContact O-N 3.49Å; W587-F599 AromaticContact CD1-CE2 3.96Å; W587-F599 AromaticContact CD1-CZ 3.68Å; W587-F599 HydrophobicContact CD2-CZ 4.35Å; W587-F599 AromaticContact CE2-CZ 3.82Å; W587-F599 HydrophobicContact CG-CZ 4.29Å; W587-F599 HydrophobicContact CZ2-CE1 4.37Å; W587-F599 HydrophobicContact CZ2-CZ 4.4Å; W587-F599 AromaticContact NE1-CE1 3.7Å; W587-F599 AromaticContact NE1-CZ 3.37Å; W587-W602 HydrophobicContact CB-CH2 4.03Å; W587-W602 HydrophobicContact CB-CZ2 4.23Å; W587-T603 HydrophobicContact CZ2-CG2 3.9Å; W587-T603 PolarHBondContact NE1-OG1 3.27Å; W587-I606 HydrophobicContact CB-CD1 3.66Å; W587-I606 VanDerWaalsContact CD1-CD1 3.4Å; W587-I606 HydrophobicContact CG-CD1 3.68Å; W587-F637 AromaticContact CD2-CD2 3.69Å; W587-F637 HydrophobicContact CD2-CD2 3.69Å; W587-F637 AromaticContact CD2-CE2 3.75Å; W587-F637 HydrophobicContact CD2-CE2 3.75Å; W587-F637 AromaticContact CE2-CD2 3.88Å; W587-F637 AromaticContact CE2-CE2 3.54Å; W587-F637 AromaticContact CE3-CD2 3.53Å; W587-F637 HydrophobicContact CE3-CD2 3.53Å; W587-F637 HydrophobicContact CE3-CE2 4.08Å; W587-F637 HydrophobicContact CG-CD2 4.45Å; W587-F637 HydrophobicContact CG-CE2 4.31Å; W587-F637 AromaticContact CH2-CD2 3.77Å; W587-F637 HydrophobicContact CH2-CD2 3.77Å; W587-F637 HydrophobicContact CH2-CE2 4.01Å; W587-F637 AromaticContact CZ2-CD2 3.94Å; W587-F637 HydrophobicContact CZ2-CD2 3.94Å; W587-F637 AromaticContact CZ2-CE2 3.69Å; W587-F637 HydrophobicContact CZ2-CE2 3.69Å; W587-F637 HydrophobicContact CZ3-CB 4.47Å; W587-F637 AromaticContact CZ3-CD2 3.58Å; W587-F637 HydrophobicContact CZ3-CD2 3.58Å; W587-F637 HydrophobicContact CZ3-CE2 4.2Å; W587-F637 HydrophobicContact CZ3-CG 4.35Å; W587-F637 AromaticContact NE1-CE2 3.99Å; W587-N640 HydrophobicContact CH2-CB 3.8Å; W587-N640 HydrophobicContact CZ3-CB 4.03Å; W587-T641 HydrophobicContact CH2-CG2 4.16Å; W587-T641 HydrophobicContact CZ2-CG2 4.14Å
588H83.4Confident72.6Confident10 Ų1055.4 Ų55.45%0.04626%0.258CS..Hα-helixtrans-61.4-36.9179.3-80.4-65.1000112.6L584 I585 I586 L633 F637 N640 L733L584-H588 PolarHBondContact O-CD2 3.05Å; L584-H588 PolarHBondContact O-N 2.64Å; I585-H588 PolarHBondContact O-N 3.26Å; I586-H588 PolarHBondContact O-N 3Å; H588-L633 PolarHBondContact NE2-O 2.86Å; H588-F637 PolarHBondContact CE1-N 3.29Å; H588-N640 PolarHBondContact CE1-ND2 3.01Å; H588-N640 PolarHBondContact ND1-ND2 3.41Å; H588-L733 HydrophobicContact CB-CD2 4.19Å
589R78Confident72.8Confident112 Ų11256.6 Ų56.642%0.42326%0.263SS..Hα-helixtrans-70.6-30.2176-73.1-177-179.3-1682.1113.8L544 I585 I586 W587L544-R589 PolarHBondContact O-NH1 2.99Å; I585-R589 WeakPolarHBondContact O-CG 3.4Å; I585-R589 PolarHBondContact O-N 3.49Å; I585-R589 VanDerWaalsContact O-N 3.08Å; I586-R589 PolarHBondContact O-N 3.21Å; W587-R589 VanDerWaalsContact C-N 3.31Å; W587-R589 PolarHBondContact O-N 3.33Å
590F75Confident73Confident33 Ų3363.1 Ų63.115%0.14529%0.291CS..Hα-helixtrans-95.9-3.6-179-74.2-72.3000114.2N547 Y549 I586 W587 D592 A593 F599 W602N547-F590 VanDerWaalsContact O-CZ 3.23Å; N547-F590 WeakPolarHBondContact O-CZ 3.43Å; Y549-F590 VanDerWaalsContact CA-CZ 3.48Å; Y549-F590 VanDerWaalsContact CB-CZ 3.43Å; Y549-F590 VanDerWaalsContact N-CZ 3.25Å; I586-F590 HydrophobicContact CG2-CD2 3.64Å; I586-F590 HydrophobicContact CG2-CE2 3.67Å; I586-F590 WeakPolarHBondContact O-CD2 3.43Å; I586-F590 PolarHBondContact O-N 3.24Å; I586-F590 VanDerWaalsContact O-N 3.08Å; W587-F590 PolarHBondContact O-N 2.9Å; W587-F590 VanDerWaalsContact O-N 3.16Å; F590-D592 PolarHBondContact O-N 3.16Å; F590-D592 VanDerWaalsContact O-N 3.17Å; F590-A593 HydrophobicContact CD1-CB 4.41Å; F590-A593 PolarHBondContact O-N 3.37Å; F590-F599 HydrophobicContact CB-CE2 3.94Å; F590-W602 HydrophobicContact CB-CZ3 4.48Å
591L75.4Confident72.9Confident51 Ų5169.6 Ų69.627%0.26732%0.32SS..THydrogen-bonded Turntrans-56.4-29.4172.8-170.659.6000111.5W587 F599 N640 R735W587-L591 HydrophobicContact CH2-CD1 3.95Å; W587-L591 HydrophobicContact CH2-CD2 3.86Å; W587-L591 HydrophobicContact CH2-CG 4.49Å; W587-L591 HydrophobicContact CZ2-CD1 3.9Å; W587-L591 HydrophobicContact CZ3-CD2 3.95Å; W587-L591 PolarHBondContact O-N 3.49Å; L591-F599 HydrophobicContact CB-CZ 4.24Å; L591-F599 HydrophobicContact CD1-CE1 3.65Å; L591-F599 HydrophobicContact CD1-CZ 3.9Å; L591-N640 HydrophobicContact CD2-CB 3.97Å; L591-R735 HydrophobicContact CD2-CB 3.45Å; L591-R735 VanDerWaalsContact CD2-CB 3.45Å; L591-R735 HydrophobicContact CD2-CG 3.89Å; L591-R735 HydrophobicContact CG-CB 4.37Å
592D62.4Low72.9Confident56 Ų5667.7 Ų67.730%0.29931%0.313SS..THydrogen-bonded Turntrans-76.4-16.7179.3-59.5-18.8000113.3F590 R735F590-D592 PolarHBondContact O-N 3.16Å; F590-D592 VanDerWaalsContact O-N 3.17Å; D592-R735 WeakPolarHBondContact OD1-CD 3.46Å; D592-R735 IonicContact OD1-CZ 3.93Å; D592-R735 IonicContact OD1-NE 3.52Å; D592-R735 PolarHBondContact OD1-NE 3.32Å; D592-R735 IonicContact OD2-CZ 2.81Å; D592-R735 IonicContact OD2-NE 3.42Å; D592-R735 PolarHBondContact OD2-NE 2.87Å; D592-R735 IonicContact OD2-NH2 3.54Å; D592-R735 PolarHBondContact OD2-NH2 3.28Å
593A55.7Low73.2Confident45 Ų4569 Ų6937%0.37232%0.32SS..SBendtrans-92.8115.2-177.500000110.8F590 V595F590-A593 HydrophobicContact CD1-CB 4.41Å; F590-A593 PolarHBondContact O-N 3.37Å; A593-V595 HydrophobicContact CB-CG2 4.41Å; A593-V595 PolarHBondContact O-N 3.44Å
594H55Low73.3Confident171 Ų17174.1 Ų74.179%0.79234%0.344SS*.  trans-59.636.4-176.6-67-57.2000117.8K596H594-K596 PolarHBondContact O-N 3.49Å; H594-K596 VanDerWaalsContact O-N 3.15Å
595V56.2Low73.3Confident85 Ų8576.8 Ų76.852%0.51536%0.363SS..  trans-87.880.7-177.8-1710000110.6A593 R597 F599A593-V595 HydrophobicContact CB-CG2 4.41Å; A593-V595 PolarHBondContact O-N 3.44Å; V595-R597 PolarHBondContact O-N 3.36Å; V595-F599 WeakPolarHBondContact O-CB 3.4Å
596K61.7Low73.5Confident180 Ų18075.8 Ų75.878%0.78336%0.358SS*.Hα-helixtrans-66.1-28.6-163-70.3-175.8178.1-179.40117.8H594H594-K596 PolarHBondContact O-N 3.49Å; H594-K596 VanDerWaalsContact O-N 3.15Å
597R62.1Low73.8Confident223 Ų22376.6 Ų76.684%0.84237%0.365SS*.Hα-helixtrans-90.1-53.5-171.7-73.9-172-173.11683114.2V595 F599V595-R597 PolarHBondContact O-N 3.36Å; R597-F599 VanDerWaalsContact C-N 3.34Å
598D66.3Low73.9Confident83 Ų8380.2 Ų80.244%0.44439%0.388SS..Hα-helixtrans-71.6-33.2-177-65.6-23.8000112K600 K601 W602D598-K600 VanDerWaalsContact C-N 3.33Å; D598-K600 PolarHBondContact O-N 3.47Å; D598-K601 PolarHBondContact O-N 3.15Å; D598-W602 PolarHBondContact O-N 3.32Å; D598-W602 VanDerWaalsContact O-N 3.1Å
599F75.1Confident73.9Confident36 Ų3682.5 Ų82.516%0.15840%0.4CS..Hα-helixtrans-65.5-34.2179.4-164.1-98.6000112.4W587 F590 L591 V595 R597 W602 T603W587-F599 AromaticContact CD1-CE2 3.96Å; W587-F599 AromaticContact CD1-CZ 3.68Å; W587-F599 HydrophobicContact CD2-CZ 4.35Å; W587-F599 AromaticContact CE2-CZ 3.82Å; W587-F599 HydrophobicContact CG-CZ 4.29Å; W587-F599 HydrophobicContact CZ2-CE1 4.37Å; W587-F599 HydrophobicContact CZ2-CZ 4.4Å; W587-F599 AromaticContact NE1-CE1 3.7Å; W587-F599 AromaticContact NE1-CZ 3.37Å; F590-F599 HydrophobicContact CB-CE2 3.94Å; L591-F599 HydrophobicContact CB-CZ 4.24Å; L591-F599 HydrophobicContact CD1-CE1 3.65Å; L591-F599 HydrophobicContact CD1-CZ 3.9Å; V595-F599 WeakPolarHBondContact O-CB 3.4Å; R597-F599 VanDerWaalsContact C-N 3.34Å; F599-W602 AromaticContact CD2-CE3 3.86Å; F599-W602 HydrophobicContact CD2-CE3 3.86Å; F599-W602 HydrophobicContact CD2-CZ3 4.04Å; F599-W602 AromaticContact CE2-CE3 4Å; F599-W602 HydrophobicContact CE2-CE3 4Å; F599-W602 AromaticContact CE2-CZ3 3.82Å; F599-W602 HydrophobicContact CE2-CZ3 3.82Å; F599-W602 PolarHBondContact O-N 2.94Å; F599-T603 WeakPolarHBondContact O-CB 3.49Å; F599-T603 PolarHBondContact O-N 3.19Å; F599-T603 PolarHBondContact O-OG1 3.17Å
600K77.4Confident74.2Confident140 Ų14077.2 Ų77.261%0.60938%0.38SS*.Hα-helixtrans-63.9-46.6176.4-173.3175.5-178.9176.10112.1D598 W602 T603 Q604D598-K600 VanDerWaalsContact C-N 3.33Å; D598-K600 PolarHBondContact O-N 3.47Å; K600-W602 VanDerWaalsContact C-N 3.32Å; K600-W602 PolarHBondContact O-N 2.93Å; K600-T603 PolarHBondContact O-N 3.13Å; K600-Q604 WeakPolarHBondContact O-CG 3.34Å; K600-Q604 PolarHBondContact O-N 3.23Å; K600-Q604 VanDerWaalsContact O-N 3.1Å
601K78.8Confident74.6Confident155 Ų15581 Ų8167%0.67439%0.394SS*.Hα-helixtrans-62.7-41.6176.7-71.8-174.8177.3-178.60111.4D598 Q604 S605D598-K601 PolarHBondContact O-N 3.15Å; K601-Q604 PolarHBondContact O-N 3.36Å; K601-S605 PolarHBondContact O-N 3.21Å; K601-S605 VanDerWaalsContact O-N 3.15Å
602W79.4Confident74.9Confident9 Ų981.5 Ų81.53%0.03441%0.405CS..Hα-helixtrans-67.1-41.9178.8-174.526.6000112.3Y549 E583 I586 W587 F590 D598 F599 K600 Q604 S605 I606Y549-W602 HydrophobicContact CD2-CE3 4.13Å; Y549-W602 HydrophobicContact CD2-CH2 4.13Å; Y549-W602 AromaticContact CD2-CZ3 3.68Å; Y549-W602 HydrophobicContact CD2-CZ3 3.68Å; Y549-W602 HydrophobicContact CE2-CD2 4.06Å; Y549-W602 AromaticContact CE2-CE3 3.5Å; Y549-W602 HydrophobicContact CE2-CE3 3.5Å; Y549-W602 HydrophobicContact CE2-CH2 4.14Å; Y549-W602 AromaticContact CE2-CZ3 3.55Å; Y549-W602 HydrophobicContact CE2-CZ3 3.55Å; E583-W602 HydrophobicContact CG-CZ2 4.47Å; E583-W602 PolarHBondContact OE1-NE1 3Å; I586-W602 HydrophobicContact CB-CH2 4.04Å; I586-W602 HydrophobicContact CB-CZ2 4.32Å; I586-W602 HydrophobicContact CG2-CH2 3.47Å; I586-W602 VanDerWaalsContact CG2-CH2 3.47Å; I586-W602 HydrophobicContact CG2-CZ2 4.01Å; I586-W602 HydrophobicContact CG2-CZ3 4.47Å; W587-W602 HydrophobicContact CB-CH2 4.03Å; W587-W602 HydrophobicContact CB-CZ2 4.23Å; F590-W602 HydrophobicContact CB-CZ3 4.48Å; D598-W602 PolarHBondContact O-N 3.32Å; D598-W602 VanDerWaalsContact O-N 3.1Å; F599-W602 AromaticContact CD2-CE3 3.86Å; F599-W602 HydrophobicContact CD2-CE3 3.86Å; F599-W602 HydrophobicContact CD2-CZ3 4.04Å; F599-W602 AromaticContact CE2-CE3 4Å; F599-W602 HydrophobicContact CE2-CE3 4Å; F599-W602 AromaticContact CE2-CZ3 3.82Å; F599-W602 HydrophobicContact CE2-CZ3 3.82Å; F599-W602 PolarHBondContact O-N 2.94Å; K600-W602 VanDerWaalsContact C-N 3.32Å; K600-W602 PolarHBondContact O-N 2.93Å; W602-Q604 VanDerWaalsContact C-N 3.3Å; W602-Q604 PolarHBondContact O-N 3.44Å; W602-S605 WeakPolarHBondContact O-CB 3.45Å; W602-S605 PolarHBondContact O-N 3.38Å; W602-S605 VanDerWaalsContact O-N 3.11Å; W602-I606 HydrophobicContact CD2-CD1 4.12Å; W602-I606 HydrophobicContact CG-CD1 4.26Å; W602-I606 HydrophobicContact CZ2-CD1 3.84Å; W602-I606 VanDerWaalsContact NE1-CD1 3.3Å; W602-I606 PolarHBondContact O-N 3.27Å
603T84Confident75.8Confident26 Ų2679.7 Ų79.716%0.1639%0.394CS..Hα-helixtrans-59.5-40.4175-56.50000111.6W587 F599 K600 I606 A607 F637 T641W587-T603 HydrophobicContact CZ2-CG2 3.9Å; W587-T603 PolarHBondContact NE1-OG1 3.27Å; F599-T603 WeakPolarHBondContact O-CB 3.49Å; F599-T603 PolarHBondContact O-N 3.19Å; F599-T603 PolarHBondContact O-OG1 3.17Å; K600-T603 PolarHBondContact O-N 3.13Å; T603-I606 PolarHBondContact O-N 3.47Å; T603-A607 WeakPolarHBondContact O-CB 3.5Å; T603-A607 PolarHBondContact O-N 2.97Å; T603-F637 HydrophobicContact CG2-CE2 4.35Å; T603-F637 HydrophobicContact CG2-CZ 4.19Å; T603-T641 HydrophobicContact CG2-CG2 4.02Å
604Q84.5Confident76.8Confident115 Ų11577.6 Ų77.654%0.53738%0.376SS..Hα-helixtrans-62.8-41.6174.5-72.2173.5-22.500112.4K600 K601 W602 A607 T608K600-Q604 WeakPolarHBondContact O-CG 3.34Å; K600-Q604 PolarHBondContact O-N 3.23Å; K600-Q604 VanDerWaalsContact O-N 3.1Å; K601-Q604 PolarHBondContact O-N 3.36Å; W602-Q604 VanDerWaalsContact C-N 3.3Å; W602-Q604 PolarHBondContact O-N 3.44Å; Q604-A607 PolarHBondContact O-N 3.03Å; Q604-T608 PolarHBondContact O-N 2.85Å; Q604-T608 VanDerWaalsContact O-N 3.14Å; Q604-T608 PolarHBondContact O-OG1 3.34Å
605S84Confident77.8Confident57 Ų5772.1 Ų72.140%0.39936%0.361SS..Hα-helixtrans-66.2-37.9176.2-173.10000112.8K601 W602 T608 N609K601-S605 PolarHBondContact O-N 3.21Å; K601-S605 VanDerWaalsContact O-N 3.15Å; W602-S605 WeakPolarHBondContact O-CB 3.45Å; W602-S605 PolarHBondContact O-N 3.38Å; W602-S605 VanDerWaalsContact O-N 3.11Å; S605-T608 PolarHBondContact O-OG1 3.32Å; S605-N609 VanDerWaalsContact O-CG 3.3Å; S605-N609 PolarHBondContact O-N 2.92Å; S605-N609 PolarHBondContact O-ND2 3.22Å; S605-N609 PolarHBondContact O-OD1 3.47Å
606I85.9Confident78.5Confident0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-70.1-40.1175.1-68.6167.6000109.9F580 E583 L584 W587 W602 T603 T608 N609 V610 F637F580-I606 HydrophobicContact CE2-CG2 4.5Å; E583-I606 HydrophobicContact CG-CD1 4.11Å; E583-I606 HydrophobicContact CG-CG1 4.12Å; L584-I606 HydrophobicContact CD2-CG2 3.69Å; W587-I606 HydrophobicContact CB-CD1 3.66Å; W587-I606 VanDerWaalsContact CD1-CD1 3.4Å; W587-I606 HydrophobicContact CG-CD1 3.68Å; W602-I606 HydrophobicContact CD2-CD1 4.12Å; W602-I606 HydrophobicContact CG-CD1 4.26Å; W602-I606 HydrophobicContact CZ2-CD1 3.84Å; W602-I606 VanDerWaalsContact NE1-CD1 3.3Å; W602-I606 PolarHBondContact O-N 3.27Å; T603-I606 PolarHBondContact O-N 3.47Å; I606-T608 VanDerWaalsContact C-N 3.28Å; I606-T608 PolarHBondContact O-N 3.36Å; I606-N609 CarbonylContact O-C 3.46Å; I606-N609 WeakPolarHBondContact O-CA 3.33Å; I606-N609 WeakPolarHBondContact O-CB 3.36Å; I606-N609 PolarHBondContact O-N 3.29Å; I606-V610 HydrophobicContact CG2-CG2 3.94Å; I606-V610 WeakPolarHBondContact O-CG2 3.47Å; I606-V610 PolarHBondContact O-N 3.34Å; I606-F637 HydrophobicContact CB-CE2 3.91Å; I606-F637 HydrophobicContact CB-CZ 4.05Å; I606-F637 HydrophobicContact CG2-CD2 3.85Å; I606-F637 HydrophobicContact CG2-CE1 4.39Å; I606-F637 HydrophobicContact CG2-CE2 3.34Å; I606-F637 HydrophobicContact CG2-CZ 3.65Å
607A85.9Confident78.7Confident19 Ų1964.7 Ų64.716%0.15733%0.326CS..Hα-helixtrans-58.8-38.8177.800000112.2T603 Q604 R611 F637T603-A607 WeakPolarHBondContact O-CB 3.5Å; T603-A607 PolarHBondContact O-N 2.97Å; Q604-A607 PolarHBondContact O-N 3.03Å; A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 VanDerWaalsContact O-CG 3.24Å; A607-R611 WeakPolarHBondContact O-CG 3.25Å; A607-R611 PolarHBondContact O-N 3.32Å; A607-F637 HydrophobicContact CB-CE1 4Å; A607-F637 HydrophobicContact CB-CZ 4.02Å
608T85.7Confident78.3Confident79 Ų7957.3 Ų57.349%0.48531%0.307SS..Hα-helixtrans-64.5-40.5172.848.10000112.2Q604 S605 I606 R611 A612Q604-T608 PolarHBondContact O-N 2.85Å; Q604-T608 VanDerWaalsContact O-N 3.14Å; Q604-T608 PolarHBondContact O-OG1 3.34Å; S605-T608 PolarHBondContact O-OG1 3.32Å; I606-T608 VanDerWaalsContact C-N 3.28Å; I606-T608 PolarHBondContact O-N 3.36Å; T608-R611 PolarHBondContact O-N 2.89Å; T608-A612 WeakPolarHBondContact O-CB 3.44Å; T608-A612 PolarHBondContact O-N 3.17Å
609N84.5Confident77.6Confident58 Ų5863.1 Ų63.131%0.3132%0.323SS..Hα-helixtrans-68.5-40.8178.1-65.7-9.9000112F580 S605 I606 A612 Y613F580-N609 HydrophobicContact CD2-CB 4.23Å; F580-N609 HydrophobicContact CE2-CB 3.69Å; F580-N609 HydrophobicContact CZ-CB 4.38Å; S605-N609 VanDerWaalsContact O-CG 3.3Å; S605-N609 PolarHBondContact O-N 2.92Å; S605-N609 PolarHBondContact O-ND2 3.22Å; S605-N609 PolarHBondContact O-OD1 3.47Å; I606-N609 CarbonylContact O-C 3.46Å; I606-N609 WeakPolarHBondContact O-CA 3.33Å; I606-N609 WeakPolarHBondContact O-CB 3.36Å; I606-N609 PolarHBondContact O-N 3.29Å; N609-A612 PolarHBondContact O-N 3.28Å; N609-Y613 WeakPolarHBondContact O-CB 3.3Å; N609-Y613 PolarHBondContact O-N 2.96Å
610V84.2Confident76.6Confident1 Ų166.4 Ų66.41%0.00634%0.339CS..Hα-helixtrans-57.7-521731680000109.9F580 L584 I606 A612 Y613 V614 V634 F637 L638F580-V610 HydrophobicContact CE2-CG2 4.22Å; F580-V610 HydrophobicContact CZ-CB 4.26Å; F580-V610 HydrophobicContact CZ-CG2 3.58Å; L584-V610 HydrophobicContact CD2-CG2 4.17Å; I606-V610 HydrophobicContact CG2-CG2 3.94Å; I606-V610 WeakPolarHBondContact O-CG2 3.47Å; I606-V610 PolarHBondContact O-N 3.34Å; V610-A612 VanDerWaalsContact C-N 3.27Å; V610-A612 PolarHBondContact O-N 2.96Å; V610-Y613 PolarHBondContact O-N 2.72Å; V610-Y613 VanDerWaalsContact O-N 3.16Å; V610-V614 HydrophobicContact CG1-CG2 4.32Å; V610-V614 VanDerWaalsContact O-CG2 3.24Å; V610-V614 WeakPolarHBondContact O-CG2 3.37Å; V610-V614 PolarHBondContact O-N 3.23Å; V610-V634 HydrophobicContact CG1-CG1 3.83Å; V610-F637 HydrophobicContact CB-CD1 4.36Å; V610-F637 HydrophobicContact CB-CE1 4.41Å; V610-F637 HydrophobicContact CG1-CD1 4.33Å; V610-F637 HydrophobicContact CG2-CD1 3.68Å; V610-F637 HydrophobicContact CG2-CE1 3.9Å; V610-F637 HydrophobicContact CG2-CG 4.12Å; V610-L638 HydrophobicContact CG1-CD2 3.88Å; V610-L638 HydrophobicContact CG1-CG 4.24Å
611R82.7Confident75.1Confident112 Ų11265.6 Ų65.642%0.42335%0.351SS..Hα-helixtrans-61.4-36.9179.9-69.7174.4-175.4162.31.2112.3A607 T608 A615 D643 Y646A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 VanDerWaalsContact O-CG 3.24Å; A607-R611 WeakPolarHBondContact O-CG 3.25Å; A607-R611 PolarHBondContact O-N 3.32Å; T608-R611 PolarHBondContact O-N 2.89Å; R611-A615 WeakPolarHBondContact O-CB 3.48Å; R611-A615 PolarHBondContact O-N 2.91Å; R611-A615 VanDerWaalsContact O-N 3.11Å; R611-D643 IonicContact CZ-OD2 3.88Å; R611-D643 IonicContact NE-OD2 3.1Å; R611-D643 IonicContact NH2-OD2 3.86Å; R611-D643 PolarHBondContact NH2-OD2 3.45Å; R611-Y646 HydrophobicContact CG-CE1 4.23Å; R611-Y646 HydrophobicContact CG-CE2 3.98Å
612A81.9Confident73.5Confident61 Ų6163.8 Ų63.850%0.50435%0.353SS..Hα-helixtrans-67.1-43.8174.500000112.3T608 N609 V610 A615 D616T608-A612 WeakPolarHBondContact O-CB 3.44Å; T608-A612 PolarHBondContact O-N 3.17Å; N609-A612 PolarHBondContact O-N 3.28Å; V610-A612 VanDerWaalsContact C-N 3.27Å; V610-A612 PolarHBondContact O-N 2.96Å; A612-A615 PolarHBondContact O-N 3.35Å; A612-D616 PolarHBondContact O-N 2.82Å
613Y80.7Confident72.1Confident18 Ų1870.8 Ų70.87%0.07139%0.386CS..Hα-helixtrans-61.3-45.5176.5174.8-99.8000111.9N577 F580 N609 V610 A615 D616 Q617 L630 V634N577-Y613 WeakPolarHBondContact OD1-CE2 3.45Å; F580-Y613 HydrophobicContact CD1-CD2 4.26Å; F580-Y613 HydrophobicContact CD1-CG 4.24Å; F580-Y613 HydrophobicContact CE1-CD1 4.15Å; F580-Y613 HydrophobicContact CE1-CD2 4.34Å; F580-Y613 AromaticContact CE1-CG 3.86Å; F580-Y613 HydrophobicContact CE1-CG 3.86Å; N609-Y613 WeakPolarHBondContact O-CB 3.3Å; N609-Y613 PolarHBondContact O-N 2.96Å; V610-Y613 PolarHBondContact O-N 2.72Å; V610-Y613 VanDerWaalsContact O-N 3.16Å; Y613-A615 VanDerWaalsContact C-N 3.31Å; Y613-A615 PolarHBondContact O-N 2.93Å; Y613-D616 PolarHBondContact O-N 2.91Å; Y613-D616 VanDerWaalsContact O-N 3.15Å; Y613-Q617 HydrophobicContact CD1-CG 4.05Å; Y613-Q617 HydrophobicContact CD2-CG 4.37Å; Y613-Q617 HydrophobicContact CE1-CG 3.59Å; Y613-Q617 HydrophobicContact CE2-CG 3.93Å; Y613-Q617 HydrophobicContact CG-CG 4.43Å; Y613-Q617 WeakPolarHBondContact O-CG 3.34Å; Y613-Q617 PolarHBondContact O-N 3.48Å; Y613-Q617 PolarHBondContact OH-NE2 2.85Å; Y613-L630 HydrophobicContact CE1-CD2 4.38Å; Y613-L630 HydrophobicContact CE1-CG 4.31Å; Y613-L630 HydrophobicContact CE2-CD2 3.75Å; Y613-L630 VanDerWaalsContact OH-CD2 3.27Å; Y613-L630 WeakPolarHBondContact OH-CD2 3.48Å; Y613-V634 HydrophobicContact CD1-CG2 3.98Å; Y613-V634 HydrophobicContact CE1-CG2 4.04Å
614V76.8Confident70.8Confident1 Ų172 Ų721%0.00640%0.395CS..Hα-helixtrans-59.2-43.8175.9171.60000111.1V610 D616 C618 V634 Q650 N653 L655V610-V614 HydrophobicContact CG1-CG2 4.32Å; V610-V614 VanDerWaalsContact O-CG2 3.24Å; V610-V614 WeakPolarHBondContact O-CG2 3.37Å; V610-V614 PolarHBondContact O-N 3.23Å; V614-D616 VanDerWaalsContact C-N 3.29Å; V614-D616 PolarHBondContact O-N 3.01Å; V614-C618 PolarHBondContact O-N 3.23Å; V614-C618 PolarHBondContact O-SG 2.96Å; V614-C618 VanDerWaalsContact O-SG 3.39Å; V614-V634 HydrophobicContact CG2-CG1 4.13Å; V614-Q650 VanDerWaalsContact CG1-OE1 3.26Å; V614-N653 WeakPolarHBondContact CG1-O 3.49Å; V614-L655 HydrophobicContact CB-CD1 4.14Å; V614-L655 HydrophobicContact CB-CG 4.32Å; V614-L655 HydrophobicContact CG1-CB 4.43Å; V614-L655 HydrophobicContact CG1-CD1 3.76Å; V614-L655 HydrophobicContact CG1-CG 3.86Å; V614-L655 HydrophobicContact CG2-CD1 3.24Å; V614-L655 HydrophobicContact CG2-CD2 4.44Å; V614-L655 HydrophobicContact CG2-CG 3.72Å
615A75.3Confident69.3Low56 Ų5673.9 Ų73.946%0.46341%0.409SS..Hα-helixtrans-65.6-28.8177.500000113.6R611 A612 Y613 C618R611-A615 WeakPolarHBondContact O-CB 3.48Å; R611-A615 PolarHBondContact O-N 2.91Å; R611-A615 VanDerWaalsContact O-N 3.11Å; A612-A615 PolarHBondContact O-N 3.35Å; Y613-A615 VanDerWaalsContact C-N 3.31Å; Y613-A615 PolarHBondContact O-N 2.93Å; A615-C618 WeakPolarHBondContact O-CB 3.43Å
616D72.7Confident68.1Low75 Ų7574.1 Ų74.140%0.40140%0.404SS..Hα-helixtrans-83.9-38.2178-163.255.3000112.6A612 Y613 V614 C618 R619 Q620A612-D616 PolarHBondContact O-N 2.82Å; Y613-D616 PolarHBondContact O-N 2.91Å; Y613-D616 VanDerWaalsContact O-N 3.15Å; V614-D616 VanDerWaalsContact C-N 3.29Å; V614-D616 PolarHBondContact O-N 3.01Å; D616-C618 PolarHBondContact O-N 3.16Å; D616-R619 WeakPolarHBondContact O-CB 3.49Å; D616-R619 PolarHBondContact O-N 3.31Å; D616-Q620 PolarHBondContact OD2-NE2 2.85Å
617Q66Low67.1Low35 Ų3575.1 Ų75.116%0.16441%0.41CS..Hα-helixtrans-56.8-29.6172.5-78.2-87.8-47.200112.5Y613 R619 Q620Y613-Q617 HydrophobicContact CD1-CG 4.05Å; Y613-Q617 HydrophobicContact CD2-CG 4.37Å; Y613-Q617 HydrophobicContact CE1-CG 3.59Å; Y613-Q617 HydrophobicContact CE2-CG 3.93Å; Y613-Q617 HydrophobicContact CG-CG 4.43Å; Y613-Q617 WeakPolarHBondContact O-CG 3.34Å; Y613-Q617 PolarHBondContact O-N 3.48Å; Y613-Q617 PolarHBondContact OH-NE2 2.85Å; Q617-R619 PolarHBondContact O-N 3.01Å; Q617-Q620 PolarHBondContact O-N 3.16Å; Q617-Q620 VanDerWaalsContact O-N 3.16Å
618C52.5Low66.3Low67 Ų6775.8 Ų75.845%0.45341%0.413SS..THydrogen-bonded Turntrans-46.5-25.1168.4-68.40000114.1V614 A615 D616 N653 G654V614-C618 PolarHBondContact O-N 3.23Å; V614-C618 PolarHBondContact O-SG 2.96Å; V614-C618 VanDerWaalsContact O-SG 3.39Å; A615-C618 WeakPolarHBondContact O-CB 3.43Å; D616-C618 PolarHBondContact O-N 3.16Å; C618-N653 PolarHBondContact SG-O 3.09Å; C618-G654 WeakPolarHBondContact SG-CA 3.44Å
619R51.9Low65.8Low205 Ų20576 Ų7677%0.77441%0.406SS*.THydrogen-bonded Turntrans-104.4-7.3-170.1-57.8178.4177.6173.5-1.3114D616 Q617D616-R619 WeakPolarHBondContact O-CB 3.49Å; D616-R619 PolarHBondContact O-N 3.31Å; Q617-R619 PolarHBondContact O-N 3.01Å
620Q54.8Low65.6Low106 Ų10673.5 Ų73.550%0.49539%0.392SS..  trans-126.6131.8-171-59.7-177.723.300111.7D616 Q617D616-Q620 PolarHBondContact OD2-NE2 2.85Å; Q617-Q620 PolarHBondContact O-N 3.16Å; Q617-Q620 VanDerWaalsContact O-N 3.16Å
621S44.3Very low65.4Low123 Ų12373.9 Ų73.986%0.8640%0.395SS*.  trans-10824.5-16569.90000115.4
622V46.3Very low65.5Low116 Ų11668.6 Ų68.670%0.70338%0.375SS*.  trans-125.3106.4-171.5-172.50000111.3S624V622-S624 PolarHBondContact O-N 3.48Å
623E50.8Low65.7Low156 Ų15665.7 Ų65.773%0.72935%0.351SS*.  trans-78.3109.4170.5-69.9-177.3165.500109.5
624S55.2Low66Low51 Ų5164.9 Ų64.936%0.35735%0.347SS..  trans-97.9159.8162.878.80000109.7V622 Q626 T627 S628V622-S624 PolarHBondContact O-N 3.48Å; S624-Q626 PolarHBondContact O-N 3.27Å; S624-Q626 VanDerWaalsContact O-N 3.17Å; S624-Q626 PolarHBondContact OG-N 3.31Å; S624-T627 WeakPolarHBondContact CB-OG1 3.18Å; S624-T627 PolarHBondContact N-OG1 3.36Å; S624-T627 WeakPolarHBondContact O-CA 3.43Å; S624-T627 VanDerWaalsContact O-CB 3.3Å; S624-T627 WeakPolarHBondContact O-CB 3.35Å; S624-T627 PolarHBondContact O-N 2.97Å; S624-T627 PolarHBondContact O-OG1 3.38Å; S624-T627 PolarHBondContact OG-N 3.5Å; S624-T627 PolarHBondContact OG-OG1 3.02Å; S624-S628 PolarHBondContact O-N 3.24Å
625N53Low66.4Low156 Ų15665 Ų6583%0.83435%0.348SS*.Hα-helixtrans-55.7-32.4174.7-81.5-19000112.6S628 Y629N625-S628 WeakPolarHBondContact O-CB 3.49Å; N625-S628 PolarHBondContact O-N 3Å; N625-Y629 PolarHBondContact O-N 2.98Å
626Q58.3Low67Low61 Ų6162.3 Ų62.329%0.28533%0.326SS..Hα-helixtrans-69.2-40175.3-60-171.9200111.4D520 S624 S628 Y629 L630D520-Q626 PolarHBondContact OD2-NE2 3.44Å; S624-Q626 PolarHBondContact O-N 3.27Å; S624-Q626 VanDerWaalsContact O-N 3.17Å; S624-Q626 PolarHBondContact OG-N 3.31Å; Q626-S628 VanDerWaalsContact C-N 3.25Å; Q626-S628 PolarHBondContact O-N 3.26Å; Q626-Y629 PolarHBondContact O-N 2.91Å; Q626-L630 PolarHBondContact O-N 3.45Å; Q626-L630 VanDerWaalsContact O-N 3.14Å
627T65Low67.8Low21 Ų2158.8 Ų58.813%0.12931%0.307CS..Hα-helixtrans-60.5-36.7173.9-30.90000111.1S624 L630 N631S624-T627 WeakPolarHBondContact CB-OG1 3.18Å; S624-T627 PolarHBondContact N-OG1 3.36Å; S624-T627 WeakPolarHBondContact O-CA 3.43Å; S624-T627 VanDerWaalsContact O-CB 3.3Å; S624-T627 WeakPolarHBondContact O-CB 3.35Å; S624-T627 PolarHBondContact O-N 2.97Å; S624-T627 PolarHBondContact O-OG1 3.38Å; S624-T627 PolarHBondContact OG-N 3.5Å; S624-T627 PolarHBondContact OG-OG1 3.02Å; T627-L630 PolarHBondContact O-N 3.17Å; T627-N631 VanDerWaalsContact O-CB 3.29Å; T627-N631 WeakPolarHBondContact O-CB 3.27Å; T627-N631 PolarHBondContact O-N 3.29Å; T627-N631 PolarHBondContact O-ND2 3.2Å
628S70.5Confident68.9Low33 Ų3357.5 Ų57.523%0.23130%0.301CS..Hα-helixtrans-61.4-47178.7-169.80000113S624 N625 Q626 N631 C632 Y659S624-S628 PolarHBondContact O-N 3.24Å; N625-S628 WeakPolarHBondContact O-CB 3.49Å; N625-S628 PolarHBondContact O-N 3Å; Q626-S628 VanDerWaalsContact C-N 3.25Å; Q626-S628 PolarHBondContact O-N 3.26Å; S628-N631 PolarHBondContact O-N 3.5Å; S628-C632 PolarHBondContact O-N 3.17Å; S628-C632 VanDerWaalsContact O-N 3.08Å; S628-Y659 VanDerWaalsContact O-CE2 3.25Å; S628-Y659 WeakPolarHBondContact O-CE2 3.42Å
629Y75.6Confident70.6Confident84 Ų8454.3 Ų54.333%0.32928%0.28SS..Hα-helixtrans-71.9-37.2178.9-174.7-108.3000112.4R581 I585 N625 Q626 N631 C632 L633R581-Y629 HydrophobicContact CG-CD1 4.39Å; I585-Y629 HydrophobicContact CD1-CE1 4.15Å; I585-Y629 HydrophobicContact CG1-CE1 4.44Å; N625-Y629 PolarHBondContact O-N 2.98Å; Q626-Y629 PolarHBondContact O-N 2.91Å; Y629-N631 VanDerWaalsContact C-N 3.34Å; Y629-C632 WeakPolarHBondContact O-CB 3.2Å; Y629-C632 PolarHBondContact O-N 3.48Å; Y629-L633 HydrophobicContact CD1-CD1 3.91Å; Y629-L633 HydrophobicContact CD1-CG 4.38Å; Y629-L633 HydrophobicContact CE1-CD1 3.57Å; Y629-L633 HydrophobicContact CE1-CD2 4.37Å; Y629-L633 HydrophobicContact CE1-CG 4.03Å; Y629-L633 PolarHBondContact O-N 2.82Å
630L79.5Confident72.4Confident5 Ų545.4 Ų45.43%0.02625%0.248CC..Hα-helixtrans-61.8-43.5173.2-179.654.3000111.3N577 F580 R581 L584 Y613 Q626 T627 C632 L633 V634N577-L630 HydrophobicContact CB-CD2 4.04Å; F580-L630 HydrophobicContact CD1-CD1 4Å; F580-L630 HydrophobicContact CE1-CD1 4.37Å; R581-L630 HydrophobicContact CB-CD1 3.89Å; R581-L630 HydrophobicContact CG-CD1 4.21Å; L584-L630 HydrophobicContact CD1-CD1 3.85Å; Y613-L630 HydrophobicContact CE1-CD2 4.38Å; Y613-L630 HydrophobicContact CE1-CG 4.31Å; Y613-L630 HydrophobicContact CE2-CD2 3.75Å; Y613-L630 VanDerWaalsContact OH-CD2 3.27Å; Y613-L630 WeakPolarHBondContact OH-CD2 3.48Å; Q626-L630 PolarHBondContact O-N 3.45Å; Q626-L630 VanDerWaalsContact O-N 3.14Å; T627-L630 PolarHBondContact O-N 3.17Å; L630-C632 VanDerWaalsContact C-N 3.28Å; L630-C632 PolarHBondContact O-N 3.29Å; L630-L633 PolarHBondContact O-N 2.8Å; L630-L633 VanDerWaalsContact O-N 3.17Å; L630-V634 HydrophobicContact CD1-CG2 4.17Å; L630-V634 HydrophobicContact CG-CG2 4.48Å; L630-V634 WeakPolarHBondContact O-CG2 3.45Å; L630-V634 PolarHBondContact O-N 3.44Å
631N80.3Confident73.9Confident10 Ų1042.5 Ų42.55%0.05324%0.237CC..Hα-helixtrans-60.1-37.9174.4-74.8-11.3000111.9T627 S628 Y629 T635T627-N631 VanDerWaalsContact O-CB 3.29Å; T627-N631 WeakPolarHBondContact O-CB 3.27Å; T627-N631 PolarHBondContact O-N 3.29Å; T627-N631 PolarHBondContact O-ND2 3.2Å; S628-N631 PolarHBondContact O-N 3.5Å; Y629-N631 VanDerWaalsContact C-N 3.34Å; N631-T635 VanDerWaalsContact O-CB 3.24Å; N631-T635 WeakPolarHBondContact O-CB 3.22Å; N631-T635 PolarHBondContact O-N 2.92Å; N631-T635 PolarHBondContact O-OG1 3.2Å
632C84.7Confident75.9Confident0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-60.4-50.6172.3-174.30000111.8S628 Y629 L630 V634 T635 C636 Y659S628-C632 PolarHBondContact O-N 3.17Å; S628-C632 VanDerWaalsContact O-N 3.08Å; Y629-C632 WeakPolarHBondContact O-CB 3.2Å; Y629-C632 PolarHBondContact O-N 3.48Å; L630-C632 VanDerWaalsContact C-N 3.28Å; L630-C632 PolarHBondContact O-N 3.29Å; C632-V634 PolarHBondContact O-N 2.9Å; C632-T635 PolarHBondContact O-N 3.41Å; C632-C636 WeakPolarHBondContact O-CB 3.4Å; C632-C636 PolarHBondContact O-N 3.49Å; C632-C636 PolarHBondContact O-SG 3.02Å; C632-Y659 HydrophobicContact CB-CD1 3.89Å; C632-Y659 HydrophobicContact CB-CD2 4.06Å; C632-Y659 HydrophobicContact CB-CE1 3.71Å; C632-Y659 HydrophobicContact CB-CE2 3.89Å; C632-Y659 HydrophobicContact CB-CG 4.05Å; C632-Y659 VanDerWaalsContact SG-CE1 3.52Å
633L85.6Confident77.7Confident1 Ų135.5 Ų35.51%0.00519%0.19CC..Hα-helixtrans-62.1-42.2-179.8-69.7170.2000112.7R581 L584 I585 H588 Y629 L630 F637 L733R581-L633 HydrophobicContact CG-CD1 3.76Å; L584-L633 HydrophobicContact CB-CB 4.13Å; L584-L633 HydrophobicContact CB-CD1 4.31Å; L584-L633 HydrophobicContact CD1-CB 4.02Å; I585-L633 HydrophobicContact CD1-CD1 4.31Å; I585-L633 HydrophobicContact CG1-CD1 3.72Å; I585-L633 HydrophobicContact CG1-CD2 4.26Å; H588-L633 PolarHBondContact NE2-O 2.86Å; Y629-L633 HydrophobicContact CD1-CD1 3.91Å; Y629-L633 HydrophobicContact CD1-CG 4.38Å; Y629-L633 HydrophobicContact CE1-CD1 3.57Å; Y629-L633 HydrophobicContact CE1-CD2 4.37Å; Y629-L633 HydrophobicContact CE1-CG 4.03Å; Y629-L633 PolarHBondContact O-N 2.82Å; L630-L633 PolarHBondContact O-N 2.8Å; L630-L633 VanDerWaalsContact O-N 3.17Å; L633-F637 WeakPolarHBondContact O-CB 3.31Å; L633-F637 PolarHBondContact O-N 3.46Å; L633-L733 HydrophobicContact CD2-CD1 3.88Å; L633-L733 HydrophobicContact CD2-CD2 4.15Å
634V86.6Confident79.3Confident0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-63.1-46.3176.1167.10000110.5F580 L584 V610 Y613 V614 L630 C632 F637 L638 L655F580-V634 HydrophobicContact CE1-CG2 3.84Å; F580-V634 HydrophobicContact CZ-CG2 4.4Å; L584-V634 HydrophobicContact CD1-CG2 3.61Å; V610-V634 HydrophobicContact CG1-CG1 3.83Å; Y613-V634 HydrophobicContact CD1-CG2 3.98Å; Y613-V634 HydrophobicContact CE1-CG2 4.04Å; V614-V634 HydrophobicContact CG2-CG1 4.13Å; L630-V634 HydrophobicContact CD1-CG2 4.17Å; L630-V634 HydrophobicContact CG-CG2 4.48Å; L630-V634 WeakPolarHBondContact O-CG2 3.45Å; L630-V634 PolarHBondContact O-N 3.44Å; C632-V634 PolarHBondContact O-N 2.9Å; V634-F637 WeakPolarHBondContact O-CB 3.49Å; V634-F637 PolarHBondContact O-N 3.41Å; V634-L638 WeakPolarHBondContact O-CG 3.46Å; V634-L638 PolarHBondContact O-N 3.35Å; V634-L638 VanDerWaalsContact O-N 3.1Å; V634-L655 HydrophobicContact CG1-CD1 4.29Å
635T85.6Confident80.7Confident4 Ų432.1 Ų32.13%0.02517%0.168CC..Hα-helixtrans-63.3-46.3179-57.40000111.2N631 C632 F637 L638 V639 A663 M730N631-T635 VanDerWaalsContact O-CB 3.24Å; N631-T635 WeakPolarHBondContact O-CB 3.22Å; N631-T635 PolarHBondContact O-N 2.92Å; N631-T635 PolarHBondContact O-OG1 3.2Å; C632-T635 PolarHBondContact O-N 3.41Å; T635-F637 VanDerWaalsContact C-N 3.29Å; T635-F637 PolarHBondContact O-N 3.24Å; T635-L638 PolarHBondContact O-N 3.47Å; T635-V639 WeakPolarHBondContact O-CG2 3.19Å; T635-V639 PolarHBondContact O-N 2.86Å; T635-V639 VanDerWaalsContact O-N 3.08Å; T635-A663 HydrophobicContact CG2-CB 3.18Å; T635-M730 HydrophobicContact CG2-CE 3.84Å
636C88.3Confident82.1Confident0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-64.3-34176.5-64.20000111.9C632 V639 N640 L733C632-C636 WeakPolarHBondContact O-CB 3.4Å; C632-C636 PolarHBondContact O-N 3.49Å; C632-C636 PolarHBondContact O-SG 3.02Å; C636-V639 PolarHBondContact O-N 3.19Å; C636-N640 WeakPolarHBondContact O-CB 3.16Å; C636-N640 PolarHBondContact O-N 3.31Å; C636-N640 PolarHBondContact O-ND2 2.87Å; C636-L733 HydrophobicContact CB-CB 3.86Å
637F89.6Confident83.3Confident1 Ų124.2 Ų24.20%0.00412%0.124CC..Hα-helixtrans-59.9-48.5173.8175.4-84.9000110.6L584 W587 H588 T603 I606 A607 V610 L633 V634 T635 V639 N640 T641L584-F637 HydrophobicContact CD2-CB 4.06Å; L584-F637 HydrophobicContact CD2-CD2 3.88Å; L584-F637 HydrophobicContact CD2-CG 4.09Å; W587-F637 AromaticContact CD2-CD2 3.69Å; W587-F637 HydrophobicContact CD2-CD2 3.69Å; W587-F637 AromaticContact CD2-CE2 3.75Å; W587-F637 HydrophobicContact CD2-CE2 3.75Å; W587-F637 AromaticContact CE2-CD2 3.88Å; W587-F637 AromaticContact CE2-CE2 3.54Å; W587-F637 AromaticContact CE3-CD2 3.53Å; W587-F637 HydrophobicContact CE3-CD2 3.53Å; W587-F637 HydrophobicContact CE3-CE2 4.08Å; W587-F637 HydrophobicContact CG-CD2 4.45Å; W587-F637 HydrophobicContact CG-CE2 4.31Å; W587-F637 AromaticContact CH2-CD2 3.77Å; W587-F637 HydrophobicContact CH2-CD2 3.77Å; W587-F637 HydrophobicContact CH2-CE2 4.01Å; W587-F637 AromaticContact CZ2-CD2 3.94Å; W587-F637 HydrophobicContact CZ2-CD2 3.94Å; W587-F637 AromaticContact CZ2-CE2 3.69Å; W587-F637 HydrophobicContact CZ2-CE2 3.69Å; W587-F637 HydrophobicContact CZ3-CB 4.47Å; W587-F637 AromaticContact CZ3-CD2 3.58Å; W587-F637 HydrophobicContact CZ3-CD2 3.58Å; W587-F637 HydrophobicContact CZ3-CE2 4.2Å; W587-F637 HydrophobicContact CZ3-CG 4.35Å; W587-F637 AromaticContact NE1-CE2 3.99Å; H588-F637 PolarHBondContact CE1-N 3.29Å; T603-F637 HydrophobicContact CG2-CE2 4.35Å; T603-F637 HydrophobicContact CG2-CZ 4.19Å; I606-F637 HydrophobicContact CB-CE2 3.91Å; I606-F637 HydrophobicContact CB-CZ 4.05Å; I606-F637 HydrophobicContact CG2-CD2 3.85Å; I606-F637 HydrophobicContact CG2-CE1 4.39Å; I606-F637 HydrophobicContact CG2-CE2 3.34Å; I606-F637 HydrophobicContact CG2-CZ 3.65Å; A607-F637 HydrophobicContact CB-CE1 4Å; A607-F637 HydrophobicContact CB-CZ 4.02Å; V610-F637 HydrophobicContact CB-CD1 4.36Å; V610-F637 HydrophobicContact CB-CE1 4.41Å; V610-F637 HydrophobicContact CG1-CD1 4.33Å; V610-F637 HydrophobicContact CG2-CD1 3.68Å; V610-F637 HydrophobicContact CG2-CE1 3.9Å; V610-F637 HydrophobicContact CG2-CG 4.12Å; L633-F637 WeakPolarHBondContact O-CB 3.31Å; L633-F637 PolarHBondContact O-N 3.46Å; V634-F637 WeakPolarHBondContact O-CB 3.49Å; V634-F637 PolarHBondContact O-N 3.41Å; T635-F637 VanDerWaalsContact C-N 3.29Å; T635-F637 PolarHBondContact O-N 3.24Å; F637-V639 PolarHBondContact O-N 2.93Å; F637-N640 PolarHBondContact O-N 3.14Å; F637-T641 HydrophobicContact CD1-CG2 4.19Å; F637-T641 HydrophobicContact CE1-CG2 3.76Å; F637-T641 HydrophobicContact CE2-CG2 4.15Å; F637-T641 HydrophobicContact CZ-CG2 3.74Å; F637-T641 WeakPolarHBondContact O-CG2 3.35Å; F637-T641 PolarHBondContact O-N 2.95Å; F637-T641 PolarHBondContact O-OG1 3.25Å; F637-T641 VanDerWaalsContact O-OG1 3.05Å
638L87.9Confident84.1Confident7 Ų726 Ų264%0.03713%0.133CC..Hα-helixtrans-60.5-45.2179.4-65.8174.7000111.8V610 V634 T635 T641 S642 D643 Y646 I647 L655V610-L638 HydrophobicContact CG1-CD2 3.88Å; V610-L638 HydrophobicContact CG1-CG 4.24Å; V634-L638 WeakPolarHBondContact O-CG 3.46Å; V634-L638 PolarHBondContact O-N 3.35Å; V634-L638 VanDerWaalsContact O-N 3.1Å; T635-L638 PolarHBondContact O-N 3.47Å; L638-T641 WeakPolarHBondContact CA-OG1 3.47Å; L638-T641 PolarHBondContact O-N 2.94Å; L638-T641 PolarHBondContact O-OG1 2.65Å; L638-S642 PolarHBondContact O-N 2.96Å; L638-D643 PolarHBondContact O-N 3.45Å; L638-Y646 HydrophobicContact CD1-CD1 3.9Å; L638-Y646 HydrophobicContact CD1-CE1 3.89Å; L638-Y646 HydrophobicContact CD2-CD1 3.6Å; L638-Y646 HydrophobicContact CD2-CE1 3.82Å; L638-Y646 HydrophobicContact CG-CD1 4.37Å; L638-I647 HydrophobicContact CB-CD1 3.84Å; L638-I647 HydrophobicContact CB-CG1 3.72Å; L638-I647 HydrophobicContact CD1-CG1 4.29Å; L638-L655 HydrophobicContact CD1-CD1 4.16Å
639V89Confident84.4Confident0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-60.4-47175.4173.20000110.8T635 C636 F637 T641 S642 W644 I647 A663 L666 I734T635-V639 WeakPolarHBondContact O-CG2 3.19Å; T635-V639 PolarHBondContact O-N 2.86Å; T635-V639 VanDerWaalsContact O-N 3.08Å; C636-V639 PolarHBondContact O-N 3.19Å; F637-V639 PolarHBondContact O-N 2.93Å; V639-T641 VanDerWaalsContact C-N 3.27Å; V639-T641 PolarHBondContact O-N 3.4Å; V639-S642 PolarHBondContact O-N 2.68Å; V639-W644 HydrophobicContact CG1-CH2 4.31Å; V639-W644 HydrophobicContact CG1-CZ3 4.15Å; V639-I647 HydrophobicContact CG2-CD1 3.92Å; V639-A663 HydrophobicContact CG2-CB 3.96Å; V639-L666 HydrophobicContact CG1-CD2 4.44Å; V639-I734 HydrophobicContact CG1-CG1 4.42Å; V639-I734 HydrophobicContact CG1-CG2 4.27Å
640N89.1Confident84Confident18 Ų1824.2 Ų24.210%0.09613%0.131CC..Hα-helixtrans-67.2-25-179.7-70.2-14.5000113.8W587 H588 L591 C636 F637 S642 L733 I734 R735 E736W587-N640 HydrophobicContact CH2-CB 3.8Å; W587-N640 HydrophobicContact CZ3-CB 4.03Å; H588-N640 PolarHBondContact CE1-ND2 3.01Å; H588-N640 PolarHBondContact ND1-ND2 3.41Å; L591-N640 HydrophobicContact CD2-CB 3.97Å; C636-N640 WeakPolarHBondContact O-CB 3.16Å; C636-N640 PolarHBondContact O-N 3.31Å; C636-N640 PolarHBondContact O-ND2 2.87Å; F637-N640 PolarHBondContact O-N 3.14Å; N640-S642 VanDerWaalsContact C-N 3.32Å; N640-L733 PolarHBondContact ND2-O 3.42Å; N640-I734 WeakPolarHBondContact OD1-CA 3.45Å; N640-R735 PolarHBondContact OD1-N 3Å; N640-E736 PolarHBondContact OD1-N 3.45Å
641T86.7Confident82.9Confident46 Ų4630.1 Ų30.128%0.28216%0.163SC..THydrogen-bonded Turntrans-86.8-0.4172.956.10000114W587 T603 F637 L638 V639 D643W587-T641 HydrophobicContact CH2-CG2 4.16Å; W587-T641 HydrophobicContact CZ2-CG2 4.14Å; T603-T641 HydrophobicContact CG2-CG2 4.02Å; F637-T641 HydrophobicContact CD1-CG2 4.19Å; F637-T641 HydrophobicContact CE1-CG2 3.76Å; F637-T641 HydrophobicContact CE2-CG2 4.15Å; F637-T641 HydrophobicContact CZ-CG2 3.74Å; F637-T641 WeakPolarHBondContact O-CG2 3.35Å; F637-T641 PolarHBondContact O-N 2.95Å; F637-T641 PolarHBondContact O-OG1 3.25Å; F637-T641 VanDerWaalsContact O-OG1 3.05Å; L638-T641 WeakPolarHBondContact CA-OG1 3.47Å; L638-T641 PolarHBondContact O-N 2.94Å; L638-T641 PolarHBondContact O-OG1 2.65Å; V639-T641 VanDerWaalsContact C-N 3.27Å; V639-T641 PolarHBondContact O-N 3.4Å; T641-D643 PolarHBondContact O-N 3.15Å
642S86.2Confident81.7Confident50 Ų5040.8 Ų40.835%0.3520%0.202SC..THydrogen-bonded Turntrans55.130.1-177.1-46.70000113.8L638 V639 N640 W644 E736L638-S642 PolarHBondContact O-N 2.96Å; V639-S642 PolarHBondContact O-N 2.68Å; N640-S642 VanDerWaalsContact C-N 3.32Å; S642-W644 PolarHBondContact O-N 2.86Å; S642-E736 WeakPolarHBondContact OG-CG 3.42Å
643D84.1Confident80.1Confident41 Ų4144.4 Ų44.422%0.21922%0.222CC..  trans-82.957179.7-156.1-8000110.1R611 L638 T641 E645 Y646 I647R611-D643 IonicContact CZ-OD2 3.88Å; R611-D643 IonicContact NE-OD2 3.1Å; R611-D643 IonicContact NH2-OD2 3.86Å; R611-D643 PolarHBondContact NH2-OD2 3.45Å; L638-D643 PolarHBondContact O-N 3.45Å; T641-D643 PolarHBondContact O-N 3.15Å; D643-E645 VanDerWaalsContact C-N 3.33Å; D643-E645 PolarHBondContact O-N 2.97Å; D643-Y646 VanDerWaalsContact CG-CB 3.43Å; D643-Y646 WeakPolarHBondContact O-CB 3.49Å; D643-Y646 PolarHBondContact O-N 2.87Å; D643-Y646 VanDerWaalsContact O-N 3.12Å; D643-Y646 WeakPolarHBondContact OD1-CB 3.39Å; D643-I647 PolarHBondContact O-N 3.48Å; D643-I647 VanDerWaalsContact O-N 3.15Å
644W85.8Confident78.7Confident22 Ų2245.5 Ų45.58%0.08323%0.233CC..Hα-helixtrans-57.3-44-170.1-50.5125.7000112.5V639 S642 Y646 I647 L648 A667 C670 F671 E736 S739V639-W644 HydrophobicContact CG1-CH2 4.31Å; V639-W644 HydrophobicContact CG1-CZ3 4.15Å; S642-W644 PolarHBondContact O-N 2.86Å; W644-Y646 VanDerWaalsContact C-N 3.28Å; W644-Y646 PolarHBondContact O-N 2.76Å; W644-I647 HydrophobicContact CE3-CD1 4.22Å; W644-I647 PolarHBondContact O-N 2.72Å; W644-L648 VanDerWaalsContact O-CG 3.31Å; W644-L648 WeakPolarHBondContact O-CG 3.49Å; W644-L648 PolarHBondContact O-N 3.29Å; W644-A667 HydrophobicContact CE3-CB 3.65Å; W644-A667 HydrophobicContact CZ3-CB 4.27Å; W644-C670 HydrophobicContact CD2-CB 4.18Å; W644-C670 HydrophobicContact CE3-CB 4.2Å; W644-C670 HydrophobicContact CH2-CB 3.91Å; W644-C670 HydrophobicContact CZ2-CB 3.83Å; W644-C670 HydrophobicContact CZ3-CB 4.07Å; W644-F671 HydrophobicContact CB-CB 4.01Å; W644-F671 HydrophobicContact CB-CD2 3.82Å; W644-F671 HydrophobicContact CB-CG 4.35Å; W644-F671 HydrophobicContact CG-CB 4.29Å; W644-F671 HydrophobicContact CG-CD2 4.39Å; W644-E736 HydrophobicContact CH2-CG 4.08Å; W644-E736 WeakPolarHBondContact CH2-OE2 3.38Å; W644-E736 HydrophobicContact CZ2-CG 4.12Å; W644-E736 WeakPolarHBondContact CZ2-OE2 3.46Å; W644-S739 VanDerWaalsContact CH2-OG 3.3Å; W644-S739 WeakPolarHBondContact CH2-OG 3.4Å
645E83.9Confident77.6Confident115 Ų11545.7 Ų45.754%0.53723%0.234SC..Hα-helixtrans-61.6-39.4179.7-64.6-177.7173.400111.1D643 L648 C649 F671 K675D643-E645 VanDerWaalsContact C-N 3.33Å; D643-E645 PolarHBondContact O-N 2.97Å; E645-L648 PolarHBondContact O-N 2.84Å; E645-C649 WeakPolarHBondContact O-CB 3.49Å; E645-C649 PolarHBondContact O-N 3.3Å; E645-C649 PolarHBondContact O-SG 3.4Å; E645-F671 HydrophobicContact CG-CD2 4.39Å; E645-F671 HydrophobicContact CG-CE2 3.59Å; E645-F671 HydrophobicContact CG-CZ 4.19Å; E645-K675 IonicContact OE1-NZ 2.8Å
646Y83Confident76.6Confident46 Ų4655.4 Ų55.418%0.1827%0.271CS..Hα-helixtrans-66.1-38.6176.5-173.8-100.6000112.3R611 L638 D643 W644 Q650R611-Y646 HydrophobicContact CG-CE1 4.23Å; R611-Y646 HydrophobicContact CG-CE2 3.98Å; L638-Y646 HydrophobicContact CD1-CD1 3.9Å; L638-Y646 HydrophobicContact CD1-CE1 3.89Å; L638-Y646 HydrophobicContact CD2-CD1 3.6Å; L638-Y646 HydrophobicContact CD2-CE1 3.82Å; L638-Y646 HydrophobicContact CG-CD1 4.37Å; D643-Y646 VanDerWaalsContact CG-CB 3.43Å; D643-Y646 WeakPolarHBondContact O-CB 3.49Å; D643-Y646 PolarHBondContact O-N 2.87Å; D643-Y646 VanDerWaalsContact O-N 3.12Å; D643-Y646 WeakPolarHBondContact OD1-CB 3.39Å; W644-Y646 VanDerWaalsContact C-N 3.28Å; W644-Y646 PolarHBondContact O-N 2.76Å; Y646-Q650 VanDerWaalsContact O-CG 3.31Å; Y646-Q650 WeakPolarHBondContact O-CG 3.32Å; Y646-Q650 PolarHBondContact O-NE2 3.35Å
647I81.7Confident75.9Confident4 Ų456.4 Ų56.42%0.02128%0.28CS..Hα-helixtrans-66.2-45.2176.4-61.8168.9000110.7L638 V639 D643 W644 C649 Q650 A663 K664 A667L638-I647 HydrophobicContact CB-CD1 3.84Å; L638-I647 HydrophobicContact CB-CG1 3.72Å; L638-I647 HydrophobicContact CD1-CG1 4.29Å; V639-I647 HydrophobicContact CG2-CD1 3.92Å; D643-I647 PolarHBondContact O-N 3.48Å; D643-I647 VanDerWaalsContact O-N 3.15Å; W644-I647 HydrophobicContact CE3-CD1 4.22Å; W644-I647 PolarHBondContact O-N 2.72Å; I647-C649 VanDerWaalsContact C-N 3.32Å; I647-C649 PolarHBondContact O-N 2.98Å; I647-Q650 WeakPolarHBondContact O-CB 3.45Å; I647-Q650 VanDerWaalsContact O-CG 3.29Å; I647-Q650 WeakPolarHBondContact O-CG 3.42Å; I647-Q650 PolarHBondContact O-N 3.31Å; I647-A663 HydrophobicContact CG2-CB 4.48Å; I647-K664 HydrophobicContact CG2-CG 4.06Å; I647-A667 HydrophobicContact CB-CB 4.04Å; I647-A667 HydrophobicContact CD1-CB 4.03Å; I647-A667 HydrophobicContact CG2-CB 3.79Å
648L82.8Confident75.4Confident59 Ų5959.7 Ų59.731%0.30930%0.295SS..Hα-helixtrans-68.3-30.8-178.1-67172000112.7W644 E645 Q650 A667 A668 F671W644-L648 VanDerWaalsContact O-CG 3.31Å; W644-L648 WeakPolarHBondContact O-CG 3.49Å; W644-L648 PolarHBondContact O-N 3.29Å; E645-L648 PolarHBondContact O-N 2.84Å; L648-Q650 PolarHBondContact O-N 3.03Å; L648-A667 HydrophobicContact CD2-CB 4.49Å; L648-A668 HydrophobicContact CD2-CB 3.75Å; L648-F671 HydrophobicContact CD1-CB 4.34Å; L648-F671 HydrophobicContact CD1-CD1 4.46Å; L648-F671 HydrophobicContact CD1-CG 4.35Å
649C76.6Confident75.1Confident75 Ų7560 Ų6051%0.50730%0.296SS..G310 helixtrans-77.3-2.7177.3-67.90000114.2E645 I647 D651 R652E645-C649 WeakPolarHBondContact O-CB 3.49Å; E645-C649 PolarHBondContact O-N 3.3Å; E645-C649 PolarHBondContact O-SG 3.4Å; I647-C649 VanDerWaalsContact C-N 3.32Å; I647-C649 PolarHBondContact O-N 2.98Å; C649-D651 VanDerWaalsContact C-N 3.25Å; C649-D651 PolarHBondContact O-N 3.35Å; C649-R652 PolarHBondContact O-N 3.08Å
650Q66.7Low74.8Confident4 Ų460.2 Ų60.22%0.01930%0.297CS..G310 helixtrans-67.7-16.3-173-69.5-57.1-41.300115.1V614 Y646 I647 L648 R652 N653 G654V614-Q650 VanDerWaalsContact CG1-OE1 3.26Å; Y646-Q650 VanDerWaalsContact O-CG 3.31Å; Y646-Q650 WeakPolarHBondContact O-CG 3.32Å; Y646-Q650 PolarHBondContact O-NE2 3.35Å; I647-Q650 WeakPolarHBondContact O-CB 3.45Å; I647-Q650 VanDerWaalsContact O-CG 3.29Å; I647-Q650 WeakPolarHBondContact O-CG 3.42Å; I647-Q650 PolarHBondContact O-N 3.31Å; L648-Q650 PolarHBondContact O-N 3.03Å; Q650-R652 PolarHBondContact O-N 3.36Å; Q650-N653 PolarHBondContact O-N 3.35Å; Q650-N653 PolarHBondContact OE1-O 2.85Å; Q650-G654 PolarHBondContact O-N 3.17Å
651D56.9Low74.5Confident130 Ų13063.3 Ų63.370%0.69531%0.313SS*.G310 helixtrans-58.8-21.4176.2-77.3-18.9000113.1C649 K664C649-D651 VanDerWaalsContact C-N 3.25Å; C649-D651 PolarHBondContact O-N 3.35Å; D651-K664 WeakPolarHBondContact OD1-CE 3.26Å; D651-K664 IonicContact OD1-NZ 2.97Å; D651-K664 PolarHBondContact OD1-NZ 3.26Å
652R54.1Low74.5Confident234 Ų23461.3 Ų61.388%0.88330%0.301SS*.G310 helixtrans-97.1-11.3174.4-62.9-172.1178.1-163.7-0114C649 Q650C649-R652 PolarHBondContact O-N 3.08Å; Q650-R652 PolarHBondContact O-N 3.36Å
653N52.6Low74.5Confident75 Ų7558.9 Ų58.940%0.40128%0.284SS..THydrogen-bonded Turntrans-132.719.1-156.8-62-23.2000116.4V614 C618 Q650V614-N653 WeakPolarHBondContact CG1-O 3.49Å; C618-N653 PolarHBondContact SG-O 3.09Å; Q650-N653 PolarHBondContact O-N 3.35Å; Q650-N653 PolarHBondContact OE1-O 2.85Å
654G56.5Low74.6Confident24 Ų2458.4 Ų58.425%0.24728%0.28CS..  trans101.5-15.315000000120.2C618 Q650 R656C618-G654 WeakPolarHBondContact SG-CA 3.44Å; Q650-G654 PolarHBondContact O-N 3.17Å; G654-R656 PolarHBondContact O-N 3.13Å
655L61.9Low74.8Confident4 Ų458.7 Ų58.72%0.02128%0.284CS..  trans-73.1109.4169.5-96.6164.9000109.9V614 V634 L638 V660V614-L655 HydrophobicContact CB-CD1 4.14Å; V614-L655 HydrophobicContact CB-CG 4.32Å; V614-L655 HydrophobicContact CG1-CB 4.43Å; V614-L655 HydrophobicContact CG1-CD1 3.76Å; V614-L655 HydrophobicContact CG1-CG 3.86Å; V614-L655 HydrophobicContact CG2-CD1 3.24Å; V614-L655 HydrophobicContact CG2-CD2 4.44Å; V614-L655 HydrophobicContact CG2-CG 3.72Å; V634-L655 HydrophobicContact CG1-CD1 4.29Å; L638-L655 HydrophobicContact CD1-CD1 4.16Å; L655-V660 HydrophobicContact CB-CG1 4.15Å; L655-V660 HydrophobicContact CB-CG2 3.94Å; L655-V660 HydrophobicContact CD2-CG2 3.86Å; L655-V660 HydrophobicContact CG-CG2 4.38Å
656R65.1Low75.1Confident209 Ų20953.2 Ų53.279%0.78926%0.258SS*.  trans-116.1147.2172.4-66-173.4177.9-162.2-1.1109.9G654G654-R656 PolarHBondContact O-N 3.13Å
657G73.2Confident75.4Confident20 Ų2051 Ų5121%0.20625%0.25CC..SBendtrans138.1160.7172.200000112.8Y659 V660 D661G657-Y659 PolarHBondContact O-N 3.23Å; G657-Y659 VanDerWaalsContact O-N 3.08Å; G657-V660 WeakPolarHBondContact O-CB 3.47Å; G657-V660 PolarHBondContact O-N 3.48Å; G657-D661 PolarHBondContact O-N 2.67Å; G657-D661 VanDerWaalsContact O-N 3.12Å
658K79.5Confident75.7Confident71 Ų7151.3 Ų51.331%0.30925%0.253SS..Hα-helixtrans-54.7-33.2-172.4-56.5-178.4-171.9-179.10113.8F662 S717 G719 L722K658-F662 PolarHBondContact O-N 2.84Å; K658-S717 PolarHBondContact NZ-O 3.21Å; K658-G719 VanDerWaalsContact CE-O 3.28Å; K658-G719 WeakPolarHBondContact CE-O 3.39Å; K658-G719 PolarHBondContact NZ-O 3.49Å; K658-L722 HydrophobicContact CB-CD2 3.57Å; K658-L722 HydrophobicContact CB-CG 4Å
659Y82.2Confident76.1Confident14 Ų1448.5 Ų48.56%0.05524%0.238CC..Hα-helixtrans-67.6-42.3175.9-63.6-74.5000112.7S628 C632 G657 D661 F662 A663 L722 Q726 M730S628-Y659 VanDerWaalsContact O-CE2 3.25Å; S628-Y659 WeakPolarHBondContact O-CE2 3.42Å; C632-Y659 HydrophobicContact CB-CD1 3.89Å; C632-Y659 HydrophobicContact CB-CD2 4.06Å; C632-Y659 HydrophobicContact CB-CE1 3.71Å; C632-Y659 HydrophobicContact CB-CE2 3.89Å; C632-Y659 HydrophobicContact CB-CG 4.05Å; C632-Y659 VanDerWaalsContact SG-CE1 3.52Å; G657-Y659 PolarHBondContact O-N 3.23Å; G657-Y659 VanDerWaalsContact O-N 3.08Å; Y659-D661 VanDerWaalsContact C-N 3.35Å; Y659-F662 PolarHBondContact O-N 3.03Å; Y659-A663 WeakPolarHBondContact O-CB 3.44Å; Y659-A663 PolarHBondContact O-N 3.43Å; Y659-L722 HydrophobicContact CD1-CD1 3.73Å; Y659-L722 HydrophobicContact CD1-CD2 3.47Å; Y659-L722 VanDerWaalsContact CD1-CD2 3.47Å; Y659-L722 HydrophobicContact CD1-CG 4.27Å; Y659-L722 HydrophobicContact CD2-CD2 4.09Å; Y659-L722 HydrophobicContact CE1-CD1 4.11Å; Y659-L722 HydrophobicContact CE1-CD2 3.49Å; Y659-L722 VanDerWaalsContact CE1-CD2 3.49Å; Y659-L722 HydrophobicContact CE1-CG 4.45Å; Y659-L722 HydrophobicContact CE2-CD2 4.09Å; Y659-L722 HydrophobicContact CG-CD2 3.79Å; Y659-Q726 HydrophobicContact CE1-CB 4.06Å; Y659-Q726 WeakPolarHBondContact OH-CB 3.33Å; Y659-Q726 WeakPolarHBondContact OH-CG 3.16Å; Y659-M730 HydrophobicContact CD1-CB 4.27Å; Y659-M730 HydrophobicContact CD1-CG 4.34Å; Y659-M730 HydrophobicContact CD1-SD 3.73Å; Y659-M730 HydrophobicContact CE1-CB 4.33Å
660V81.8Confident76.8Confident4 Ų445 Ų452%0.02421%0.214CC..Hα-helixtrans-69-40.2-178.2-179.30000109.6L655 G657 A663 K664L655-V660 HydrophobicContact CB-CG1 4.15Å; L655-V660 HydrophobicContact CB-CG2 3.94Å; L655-V660 HydrophobicContact CD2-CG2 3.86Å; L655-V660 HydrophobicContact CG-CG2 4.38Å; G657-V660 WeakPolarHBondContact O-CB 3.47Å; G657-V660 PolarHBondContact O-N 3.48Å; V660-A663 CarbonylContact O-C 3.22Å; V660-A663 PolarHBondContact O-N 3Å; V660-K664 HydrophobicContact CG1-CD 4.29Å; V660-K664 HydrophobicContact CG1-CG 4.36Å; V660-K664 WeakPolarHBondContact O-CG 3.43Å; V660-K664 PolarHBondContact O-N 3.25Å
661D82.5Confident77.9Confident83 Ų8346.5 Ų46.544%0.44422%0.221SC..Hα-helixtrans-61.3-46.1177.6-61.2-30000110.9G657 Y659 A663 K664 V665G657-D661 PolarHBondContact O-N 2.67Å; G657-D661 VanDerWaalsContact O-N 3.12Å; Y659-D661 VanDerWaalsContact C-N 3.35Å; D661-A663 PolarHBondContact O-N 3.01Å; D661-K664 PolarHBondContact O-N 3.4Å; D661-V665 WeakPolarHBondContact O-CG2 3.28Å; D661-V665 PolarHBondContact O-N 2.64Å
662F86.9Confident79.4Confident3 Ų341.6 Ų41.61%0.01319%0.194CC..Hα-helixtrans-60-45.7172.4175.9-102000112.3K658 Y659 K664 V665 L666 F687 V691 F721 L722 F727 M730 I734 L743K658-F662 PolarHBondContact O-N 2.84Å; Y659-F662 PolarHBondContact O-N 3.03Å; F662-K664 VanDerWaalsContact C-N 3.32Å; F662-K664 PolarHBondContact O-N 2.98Å; F662-V665 PolarHBondContact O-N 3.27Å; F662-L666 HydrophobicContact CE1-CD2 4.2Å; F662-L666 PolarHBondContact O-N 2.94Å; F662-F687 HydrophobicContact CE2-CE2 4.17Å; F662-F687 HydrophobicContact CE2-CZ 4.22Å; F662-V691 HydrophobicContact CD2-CG2 4.04Å; F662-V691 HydrophobicContact CE2-CG1 4.38Å; F662-V691 HydrophobicContact CE2-CG2 3.76Å; F662-F721 HydrophobicContact CD2-CE2 4.34Å; F662-F721 AromaticContact CD2-CZ 3.72Å; F662-F721 HydrophobicContact CD2-CZ 3.72Å; F662-F721 HydrophobicContact CE2-CZ 4.39Å; F662-F721 HydrophobicContact CG-CZ 4.47Å; F662-L722 HydrophobicContact CB-CD1 4.43Å; F662-F727 AromaticContact CD2-CE2 3.96Å; F662-F727 HydrophobicContact CD2-CE2 3.96Å; F662-F727 HydrophobicContact CE1-CE2 4.3Å; F662-F727 AromaticContact CE2-CE2 3.57Å; F662-F727 HydrophobicContact CE2-CE2 3.57Å; F662-F727 HydrophobicContact CE2-CZ 4.01Å; F662-F727 HydrophobicContact CG-CE2 4.45Å; F662-F727 AromaticContact CZ-CE2 3.74Å; F662-F727 HydrophobicContact CZ-CE2 3.74Å; F662-F727 HydrophobicContact CZ-CZ 4.08Å; F662-M730 HydrophobicContact CD1-CE 3.6Å; F662-M730 HydrophobicContact CD1-SD 3.51Å; F662-M730 VanDerWaalsContact CD1-SD 3.51Å; F662-M730 HydrophobicContact CE1-CE 4.19Å; F662-M730 HydrophobicContact CE1-SD 4.08Å; F662-M730 HydrophobicContact CG-SD 4.41Å; F662-I734 HydrophobicContact CE1-CD1 4.34Å; F662-L743 HydrophobicContact CZ-CD2 3.94Å
663A86.9Confident81Confident0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-65.2-32.2179.800000113.5T635 V639 I647 Y659 V660 D661 A667 M730T635-A663 HydrophobicContact CG2-CB 3.18Å; V639-A663 HydrophobicContact CG2-CB 3.96Å; I647-A663 HydrophobicContact CG2-CB 4.48Å; Y659-A663 WeakPolarHBondContact O-CB 3.44Å; Y659-A663 PolarHBondContact O-N 3.43Å; V660-A663 CarbonylContact O-C 3.22Å; V660-A663 PolarHBondContact O-N 3Å; D661-A663 PolarHBondContact O-N 3.01Å; A663-A667 WeakPolarHBondContact O-CA 3.46Å; A663-A667 WeakPolarHBondContact O-CB 3.46Å; A663-A667 PolarHBondContact O-N 3.1Å; A663-M730 HydrophobicContact CB-CE 4.03Å
664K87.2Confident82.7Confident30 Ų3030.8 Ų30.813%0.1316%0.159CC..Hα-helixtrans-64.2-46174.6-78.8172-179.6166.20111.4I647 D651 V660 D661 F662 A667 A668I647-K664 HydrophobicContact CG2-CG 4.06Å; D651-K664 WeakPolarHBondContact OD1-CE 3.26Å; D651-K664 IonicContact OD1-NZ 2.97Å; D651-K664 PolarHBondContact OD1-NZ 3.26Å; V660-K664 HydrophobicContact CG1-CD 4.29Å; V660-K664 HydrophobicContact CG1-CG 4.36Å; V660-K664 WeakPolarHBondContact O-CG 3.43Å; V660-K664 PolarHBondContact O-N 3.25Å; D661-K664 PolarHBondContact O-N 3.4Å; F662-K664 VanDerWaalsContact C-N 3.32Å; F662-K664 PolarHBondContact O-N 2.98Å; K664-A667 PolarHBondContact O-N 3.45Å; K664-A668 WeakPolarHBondContact O-CB 3.44Å; K664-A668 PolarHBondContact O-N 3.29Å
665V88.3Confident84.1Confident28 Ų2835.5 Ų35.517%0.1717%0.173CC..Hα-helixtrans-67.2-40.9179.7-1710000110.2D661 F662 L669 F687 I690D661-V665 WeakPolarHBondContact O-CG2 3.28Å; D661-V665 PolarHBondContact O-N 2.64Å; F662-V665 PolarHBondContact O-N 3.27Å; V665-L669 PolarHBondContact O-N 3.48Å; V665-F687 HydrophobicContact CB-CD2 4.34Å; V665-F687 VanDerWaalsContact CG1-CA 3.49Å; V665-F687 HydrophobicContact CG1-CB 3.79Å; V665-F687 HydrophobicContact CG1-CD2 3.76Å; V665-F687 HydrophobicContact CG1-CG 4.2Å; V665-I690 HydrophobicContact CG1-CD1 4.04Å; V665-I690 HydrophobicContact CG2-CD1 3.76Å
666L90.7Very high85Confident0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-63.3-47.6173.2-176.161.4000111.8V639 F662 A668 L669 C670 F687 I734 I742 L743V639-L666 HydrophobicContact CG1-CD2 4.44Å; F662-L666 HydrophobicContact CE1-CD2 4.2Å; F662-L666 PolarHBondContact O-N 2.94Å; L666-A668 PolarHBondContact O-N 3.13Å; L666-L669 PolarHBondContact O-N 3.19Å; L666-C670 WeakPolarHBondContact O-CB 3.37Å; L666-C670 PolarHBondContact O-N 3.31Å; L666-C670 PolarHBondContact O-SG 2.78Å; L666-F687 HydrophobicContact CB-CE2 4.01Å; L666-F687 HydrophobicContact CD1-CE2 3.79Å; L666-F687 HydrophobicContact CD1-CZ 4.22Å; L666-F687 HydrophobicContact CG-CE2 4.5Å; L666-I734 HydrophobicContact CD2-CD1 4.06Å; L666-I742 HydrophobicContact CD1-CG2 4.27Å; L666-L743 HydrophobicContact CD1-CD2 4.26Å; L666-L743 HydrophobicContact CD1-CG 4.26Å; L666-L743 HydrophobicContact CD2-CD1 4.34Å
667A89.7Confident85.8Confident0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-63.7-38.1-179.500000112.6W644 I647 L648 A663 K664 L669 C670 F671W644-A667 HydrophobicContact CE3-CB 3.65Å; W644-A667 HydrophobicContact CZ3-CB 4.27Å; I647-A667 HydrophobicContact CB-CB 4.04Å; I647-A667 HydrophobicContact CD1-CB 4.03Å; I647-A667 HydrophobicContact CG2-CB 3.79Å; L648-A667 HydrophobicContact CD2-CB 4.49Å; A663-A667 WeakPolarHBondContact O-CA 3.46Å; A663-A667 WeakPolarHBondContact O-CB 3.46Å; A663-A667 PolarHBondContact O-N 3.1Å; K664-A667 PolarHBondContact O-N 3.45Å; A667-L669 VanDerWaalsContact C-N 3.33Å; A667-C670 PolarHBondContact O-N 2.99Å; A667-F671 WeakPolarHBondContact O-CB 3.39Å; A667-F671 PolarHBondContact O-N 2.91Å
668A88.9Confident86.3Confident11 Ų1138.2 Ų38.29%0.09121%0.209CC..Hα-helixtrans-60.3-45.6175.600000110.9L648 K664 L666 E672 Y683L648-A668 HydrophobicContact CD2-CB 3.75Å; K664-A668 WeakPolarHBondContact O-CB 3.44Å; K664-A668 PolarHBondContact O-N 3.29Å; L666-A668 PolarHBondContact O-N 3.13Å; A668-E672 WeakPolarHBondContact O-CG 3.41Å; A668-E672 PolarHBondContact O-N 3.03Å; A668-E672 VanDerWaalsContact O-N 3.13Å; A668-Y683 HydrophobicContact CB-CD1 3.84Å; A668-Y683 HydrophobicContact CB-CE1 4.09Å; A668-Y683 HydrophobicContact CB-CG 4.41Å
669L90.6Very high86.5Confident0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-68.1-47.5177.7-176.756.9000111.8V665 L666 A667 F671 E672 V673 A684 F687 I742 W769V665-L669 PolarHBondContact O-N 3.48Å; L666-L669 PolarHBondContact O-N 3.19Å; A667-L669 VanDerWaalsContact C-N 3.33Å; L669-F671 VanDerWaalsContact C-N 3.3Å; L669-F671 PolarHBondContact O-N 2.98Å; L669-E672 PolarHBondContact O-N 3.31Å; L669-V673 HydrophobicContact CD1-CG2 4.01Å; L669-V673 HydrophobicContact CG-CG2 4.4Å; L669-V673 WeakPolarHBondContact O-CB 3.48Å; L669-V673 VanDerWaalsContact O-CG2 3.26Å; L669-V673 WeakPolarHBondContact O-CG2 3.36Å; L669-V673 PolarHBondContact O-N 3.02Å; L669-A684 HydrophobicContact CD1-CB 3.88Å; L669-F687 HydrophobicContact CD2-CB 4.02Å; L669-F687 HydrophobicContact CD2-CD1 4.38Å; L669-F687 HydrophobicContact CD2-CD2 4.39Å; L669-F687 HydrophobicContact CD2-CG 4.01Å; L669-I742 HydrophobicContact CD2-CG2 3.6Å; L669-I742 HydrophobicContact CG-CD1 4.34Å; L669-I742 HydrophobicContact CG-CG2 4.27Å; L669-W769 HydrophobicContact CD2-CH2 3.81Å; L669-W769 HydrophobicContact CD2-CZ3 4.31Å
670C90.4Very high86.7Confident0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-58.5-41.6176.6-67.80000111.8W644 L666 A667 S674 L738 S739 I742W644-C670 HydrophobicContact CD2-CB 4.18Å; W644-C670 HydrophobicContact CE3-CB 4.2Å; W644-C670 HydrophobicContact CH2-CB 3.91Å; W644-C670 HydrophobicContact CZ2-CB 3.83Å; W644-C670 HydrophobicContact CZ3-CB 4.07Å; L666-C670 WeakPolarHBondContact O-CB 3.37Å; L666-C670 PolarHBondContact O-N 3.31Å; L666-C670 PolarHBondContact O-SG 2.78Å; A667-C670 PolarHBondContact O-N 2.99Å; C670-S674 VanDerWaalsContact O-CB 3.24Å; C670-S674 WeakPolarHBondContact O-CB 3.37Å; C670-S674 PolarHBondContact O-N 3.15Å; C670-S674 PolarHBondContact O-OG 2.92Å; C670-L738 HydrophobicContact CB-CD2 4.16Å; C670-L738 WeakPolarHBondContact O-CD2 3.02Å; C670-S739 PolarHBondContact SG-OG 3.21Å; C670-I742 HydrophobicContact CB-CD1 4.31Å; C670-I742 VanDerWaalsContact SG-CD1 3.55Å
671F89.5Confident86.8Confident36 Ų3648.4 Ų48.416%0.15825%0.253CS..Hα-helixtrans-62.7-47.8178.1-179.3-102000112.3W644 E645 L648 A667 L669 S674 K675W644-F671 HydrophobicContact CB-CB 4.01Å; W644-F671 HydrophobicContact CB-CD2 3.82Å; W644-F671 HydrophobicContact CB-CG 4.35Å; W644-F671 HydrophobicContact CG-CB 4.29Å; W644-F671 HydrophobicContact CG-CD2 4.39Å; E645-F671 HydrophobicContact CG-CD2 4.39Å; E645-F671 HydrophobicContact CG-CE2 3.59Å; E645-F671 HydrophobicContact CG-CZ 4.19Å; L648-F671 HydrophobicContact CD1-CB 4.34Å; L648-F671 HydrophobicContact CD1-CD1 4.46Å; L648-F671 HydrophobicContact CD1-CG 4.35Å; A667-F671 WeakPolarHBondContact O-CB 3.39Å; A667-F671 PolarHBondContact O-N 2.91Å; L669-F671 VanDerWaalsContact C-N 3.3Å; L669-F671 PolarHBondContact O-N 2.98Å; F671-S674 PolarHBondContact O-N 3.35Å; F671-S674 PolarHBondContact O-OG 3.41Å; F671-K675 HydrophobicContact CE1-CD 4.11Å; F671-K675 HydrophobicContact CE2-CD 4.14Å; F671-K675 VanDerWaalsContact CE2-CE 3.42Å; F671-K675 HydrophobicContact CZ-CD 3.94Å; F671-K675 PolarHBondContact O-N 3.22Å
672E88.9Confident87.1Confident27 Ų2748 Ų4813%0.12625%0.253CS..Hα-helixtrans-67.9-41.1179.5-73.1-80.9143.300112.1A668 L669 S674 K675 D676 G677 N679 Y683A668-E672 WeakPolarHBondContact O-CG 3.41Å; A668-E672 PolarHBondContact O-N 3.03Å; A668-E672 VanDerWaalsContact O-N 3.13Å; L669-E672 PolarHBondContact O-N 3.31Å; E672-S674 VanDerWaalsContact C-N 3.33Å; E672-S674 PolarHBondContact O-N 2.79Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 3.32Å; E672-D676 PolarHBondContact O-N 3.48Å; E672-D676 VanDerWaalsContact O-N 3.07Å; E672-G677 PolarHBondContact O-N 2.66Å; E672-G677 WeakPolarHBondContact OE2-CA 3.49Å; E672-N679 PolarHBondContact OE2-N 3Å; E672-Y683 HydrophobicContact CB-CD2 4.43Å; E672-Y683 HydrophobicContact CG-CD2 3.58Å; E672-Y683 HydrophobicContact CG-CE2 3.73Å
673V88.6Confident87.1Confident18 Ų1851.5 Ų51.511%0.10927%0.267CS..Hα-helixtrans-63-40174.4174.80000110.9L669 K675 D676 T680 L738 I742 L768L669-V673 HydrophobicContact CD1-CG2 4.01Å; L669-V673 HydrophobicContact CG-CG2 4.4Å; L669-V673 WeakPolarHBondContact O-CB 3.48Å; L669-V673 VanDerWaalsContact O-CG2 3.26Å; L669-V673 WeakPolarHBondContact O-CG2 3.36Å; L669-V673 PolarHBondContact O-N 3.02Å; V673-K675 PolarHBondContact O-N 3.3Å; V673-D676 PolarHBondContact O-N 3.25Å; V673-T680 HydrophobicContact CG2-CG2 3.79Å; V673-L738 HydrophobicContact CG1-CD1 3.94Å; V673-I742 HydrophobicContact CB-CD1 4.38Å; V673-I742 HydrophobicContact CG2-CD1 4.24Å; V673-L768 HydrophobicContact CG2-CD1 4.27Å; V673-L768 HydrophobicContact CG2-CD2 4.48Å
674S87.5Confident87.2Confident65 Ų6551.5 Ų51.546%0.45527%0.267SS..Hα-helixtrans-66.1-20.9178.275.60000114.2C670 F671 E672C670-S674 VanDerWaalsContact O-CB 3.24Å; C670-S674 WeakPolarHBondContact O-CB 3.37Å; C670-S674 PolarHBondContact O-N 3.15Å; C670-S674 PolarHBondContact O-OG 2.92Å; F671-S674 PolarHBondContact O-N 3.35Å; F671-S674 PolarHBondContact O-OG 3.41Å; E672-S674 VanDerWaalsContact C-N 3.33Å; E672-S674 PolarHBondContact O-N 2.79Å
675K85.4Confident87.2Confident122 Ų12257.2 Ų57.253%0.5329%0.288SS..THydrogen-bonded Turntrans-109.94.4-178-68.5-172.5178.6-176.80113.5E645 F671 E672 V673 G677E645-K675 IonicContact OE1-NZ 2.8Å; F671-K675 HydrophobicContact CE1-CD 4.11Å; F671-K675 HydrophobicContact CE2-CD 4.14Å; F671-K675 VanDerWaalsContact CE2-CE 3.42Å; F671-K675 HydrophobicContact CZ-CD 3.94Å; F671-K675 PolarHBondContact O-N 3.22Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 3.32Å; V673-K675 PolarHBondContact O-N 3.3Å; K675-G677 PolarHBondContact O-N 2.99Å
676D81.5Confident87.1Confident152 Ų15260.4 Ų60.481%0.81330%0.301SS*.THydrogen-bonded Turntrans4744.8-169.2-69.3-44.6000112.4E672 V673E672-D676 PolarHBondContact O-N 3.48Å; E672-D676 VanDerWaalsContact O-N 3.07Å; V673-D676 PolarHBondContact O-N 3.25Å
677G81.1Confident87Confident13 Ų1360.4 Ų60.413%0.13430%0.301CS..  trans-69.8148.7-171.900000113.3E672 K675 N679 T680E672-G677 PolarHBondContact O-N 2.66Å; E672-G677 WeakPolarHBondContact OE2-CA 3.49Å; K675-G677 PolarHBondContact O-N 2.99Å; G677-N679 PolarHBondContact O-N 3.26Å; G677-T680 WeakPolarHBondContact O-CB 3.22Å; G677-T680 PolarHBondContact O-N 3.06Å; G677-T680 PolarHBondContact O-OG1 3.4Å
678P84.4Confident86.9Confident126 Ų12660.6 Ų60.682%0.81830%0.302SS*.THydrogen-bonded Turntrans-65.2-22.1-177.728-35.3000113
679N84.4Confident86.7Confident77 Ų7764.3 Ų64.341%0.41232%0.32SS..THydrogen-bonded Turntrans-92.74.1-176.2-64.5-38.4000113.3E672 G677 R681 T682 Y683E672-N679 PolarHBondContact OE2-N 3Å; G677-N679 PolarHBondContact O-N 3.26Å; N679-R681 PolarHBondContact O-N 2.77Å; N679-R681 VanDerWaalsContact O-N 3.11Å; N679-T682 WeakPolarHBondContact O-CA 3.29Å; N679-T682 WeakPolarHBondContact O-CB 3.13Å; N679-T682 PolarHBondContact O-N 2.79Å; N679-Y683 HydrophobicContact CB-CD2 3.8Å; N679-Y683 HydrophobicContact CB-CE2 3.62Å; N679-Y683 WeakPolarHBondContact O-CD2 3.43Å; N679-Y683 PolarHBondContact O-N 2.94Å; N679-Y683 VanDerWaalsContact O-N 3.13Å
680T85.5Confident86.4Confident22 Ų2267.6 Ų67.614%0.13534%0.337CS..Hα-helixtrans-48-43.7-178-62.20000112.8V673 G677 T682 A684 L768V673-T680 HydrophobicContact CG2-CG2 3.79Å; G677-T680 WeakPolarHBondContact O-CB 3.22Å; G677-T680 PolarHBondContact O-N 3.06Å; G677-T680 PolarHBondContact O-OG1 3.4Å; T680-T682 PolarHBondContact O-N 2.97Å; T680-A684 WeakPolarHBondContact O-CB 3.37Å; T680-A684 PolarHBondContact O-N 3.07Å; T680-L768 HydrophobicContact CG2-CD2 3.58Å
681R84.8Confident86.1Confident204 Ų20467.6 Ų67.677%0.7734%0.337SS*.Hα-helixtrans-68.8-31.8179-72.1-175.2176.6176.60.3113.8N679 R685N679-R681 PolarHBondContact O-N 2.77Å; N679-R681 VanDerWaalsContact O-N 3.11Å; R681-R685 PolarHBondContact O-N 3.18Å; R681-R685 VanDerWaalsContact O-N 3.08Å
682T87.5Confident85.8Confident74 Ų7466.4 Ų66.445%0.45433%0.332SS..Hα-helixtrans-69.4-51.5179-50.40000109.5N679 T680 A684 R685 E686N679-T682 WeakPolarHBondContact O-CA 3.29Å; N679-T682 WeakPolarHBondContact O-CB 3.13Å; N679-T682 PolarHBondContact O-N 2.79Å; T680-T682 PolarHBondContact O-N 2.97Å; T682-A684 VanDerWaalsContact C-N 3.32Å; T682-A684 PolarHBondContact O-N 3.14Å; T682-R685 PolarHBondContact O-N 2.85Å; T682-R685 VanDerWaalsContact O-N 3.16Å; T682-E686 PolarHBondContact O-N 3.4Å
683Y88.2Confident85.3Confident77 Ų7769.4 Ų69.430%0.30235%0.352SS..Hα-helixtrans-65.1-34.4176.4-69.1-68.7000112.7A668 E672 N679 R685 E686 F687A668-Y683 HydrophobicContact CB-CD1 3.84Å; A668-Y683 HydrophobicContact CB-CE1 4.09Å; A668-Y683 HydrophobicContact CB-CG 4.41Å; E672-Y683 HydrophobicContact CB-CD2 4.43Å; E672-Y683 HydrophobicContact CG-CD2 3.58Å; E672-Y683 HydrophobicContact CG-CE2 3.73Å; N679-Y683 HydrophobicContact CB-CD2 3.8Å; N679-Y683 HydrophobicContact CB-CE2 3.62Å; N679-Y683 WeakPolarHBondContact O-CD2 3.43Å; N679-Y683 PolarHBondContact O-N 2.94Å; N679-Y683 VanDerWaalsContact O-N 3.13Å; Y683-R685 VanDerWaalsContact C-N 3.34Å; Y683-R685 PolarHBondContact O-N 3.1Å; Y683-E686 PolarHBondContact O-N 2.84Å; Y683-F687 WeakPolarHBondContact O-CB 3.34Å; Y683-F687 PolarHBondContact O-N 3.23Å
684A88.1Confident84.6Confident0 Ų069.8 Ų69.80%036%0.358CS..Hα-helixtrans-63.1-40.5173.600000111.8L669 T680 T682 F688 L768 W769L669-A684 HydrophobicContact CD1-CB 3.88Å; T680-A684 WeakPolarHBondContact O-CB 3.37Å; T680-A684 PolarHBondContact O-N 3.07Å; T682-A684 VanDerWaalsContact C-N 3.32Å; T682-A684 PolarHBondContact O-N 3.14Å; A684-F688 VanDerWaalsContact O-CB 3.22Å; A684-F688 WeakPolarHBondContact O-CB 3.22Å; A684-F688 PolarHBondContact O-N 3.07Å; A684-L768 HydrophobicContact CB-CB 4.32Å; A684-L768 WeakPolarHBondContact CB-O 3.28Å; A684-W769 HydrophobicContact CB-CZ3 4.36Å; A684-W769 WeakPolarHBondContact O-CZ3 3.29Å
685R87.1Confident84.1Confident150 Ų15067 Ų6757%0.56634%0.337SS*.Hα-helixtrans-66.4-45175-177.4176.8-70.6143.5-1.9111.6R681 T682 Y683 F687 F688 D689R681-R685 PolarHBondContact O-N 3.18Å; R681-R685 VanDerWaalsContact O-N 3.08Å; T682-R685 PolarHBondContact O-N 2.85Å; T682-R685 VanDerWaalsContact O-N 3.16Å; Y683-R685 VanDerWaalsContact C-N 3.34Å; Y683-R685 PolarHBondContact O-N 3.1Å; R685-F687 PolarHBondContact O-N 3.16Å; R685-F688 WeakPolarHBondContact O-CB 3.37Å; R685-F688 PolarHBondContact O-N 3.47Å; R685-D689 VanDerWaalsContact O-CG 3.32Å; R685-D689 PolarHBondContact O-N 2.74Å
686E86.3Confident83.4Confident94 Ų9463 Ų6344%0.43933%0.327SS..Hα-helixtrans-59.3-46.9176.2-71.5178.3-177.600111.7T682 Y683 F688 D689 I690T682-E686 PolarHBondContact O-N 3.4Å; Y683-E686 PolarHBondContact O-N 2.84Å; E686-F688 VanDerWaalsContact C-N 3.33Å; E686-F688 PolarHBondContact O-N 3.33Å; E686-D689 PolarHBondContact O-N 3.27Å; E686-I690 WeakPolarHBondContact O-CB 3.39Å; E686-I690 WeakPolarHBondContact O-CD1 3.19Å; E686-I690 WeakPolarHBondContact O-CG1 3.1Å; E686-I690 PolarHBondContact O-N 2.87Å
687F89.4Confident82.4Confident0 Ų058.6 Ų58.60%031%0.306CS..Hα-helixtrans-57.1-48.4173.6-176.7-83.5000111.4F662 V665 L666 L669 Y683 R685 D689 I690 V691 L743 F746 W769F662-F687 HydrophobicContact CE2-CE2 4.17Å; F662-F687 HydrophobicContact CE2-CZ 4.22Å; V665-F687 HydrophobicContact CB-CD2 4.34Å; V665-F687 VanDerWaalsContact CG1-CA 3.49Å; V665-F687 HydrophobicContact CG1-CB 3.79Å; V665-F687 HydrophobicContact CG1-CD2 3.76Å; V665-F687 HydrophobicContact CG1-CG 4.2Å; L666-F687 HydrophobicContact CB-CE2 4.01Å; L666-F687 HydrophobicContact CD1-CE2 3.79Å; L666-F687 HydrophobicContact CD1-CZ 4.22Å; L666-F687 HydrophobicContact CG-CE2 4.5Å; L669-F687 HydrophobicContact CD2-CB 4.02Å; L669-F687 HydrophobicContact CD2-CD1 4.38Å; L669-F687 HydrophobicContact CD2-CD2 4.39Å; L669-F687 HydrophobicContact CD2-CG 4.01Å; Y683-F687 WeakPolarHBondContact O-CB 3.34Å; Y683-F687 PolarHBondContact O-N 3.23Å; R685-F687 PolarHBondContact O-N 3.16Å; F687-D689 PolarHBondContact O-N 3.44Å; F687-I690 PolarHBondContact O-N 2.92Å; F687-V691 HydrophobicContact CD1-CG2 4.13Å; F687-V691 HydrophobicContact CD2-CG2 4.19Å; F687-V691 HydrophobicContact CE1-CB 4.27Å; F687-V691 HydrophobicContact CE1-CG2 3.86Å; F687-V691 HydrophobicContact CE2-CG2 3.9Å; F687-V691 HydrophobicContact CG-CG2 4.28Å; F687-V691 HydrophobicContact CZ-CG2 3.74Å; F687-V691 WeakPolarHBondContact O-CB 3.34Å; F687-V691 VanDerWaalsContact O-CG2 3.31Å; F687-V691 WeakPolarHBondContact O-CG2 3.39Å; F687-V691 PolarHBondContact O-N 3.15Å; F687-L743 HydrophobicContact CZ-CD2 4.02Å; F687-F746 HydrophobicContact CD1-CD2 4.08Å; F687-F746 HydrophobicContact CD1-CG 4.44Å; F687-F746 HydrophobicContact CE1-CB 4.06Å; F687-F746 HydrophobicContact CE1-CD1 4.21Å; F687-F746 AromaticContact CE1-CD2 3.82Å; F687-F746 HydrophobicContact CE1-CD2 3.82Å; F687-F746 HydrophobicContact CE1-CE2 4.36Å; F687-F746 AromaticContact CE1-CG 3.74Å; F687-F746 HydrophobicContact CE1-CG 3.74Å; F687-W769 AromaticContact CD1-CH2 3.59Å; F687-W769 HydrophobicContact CD1-CH2 3.59Å; F687-W769 AromaticContact CD1-CZ3 3.72Å; F687-W769 HydrophobicContact CD1-CZ3 3.72Å; F687-W769 AromaticContact CE1-CH2 3.98Å; F687-W769 HydrophobicContact CE1-CH2 3.98Å; F687-W769 HydrophobicContact CE1-CZ3 4.47Å; F687-W769 HydrophobicContact CG-CH2 4.46Å
688F87.7Confident81.1Confident5 Ų563.2 Ų63.22%0.02234%0.336CS..Hα-helixtrans-59.1-50-179.2-171.4-90.7000111.5A684 R685 E686 T692 F746 K749 M750 I753 W769 P770 T773A684-F688 VanDerWaalsContact O-CB 3.22Å; A684-F688 WeakPolarHBondContact O-CB 3.22Å; A684-F688 PolarHBondContact O-N 3.07Å; R685-F688 WeakPolarHBondContact O-CB 3.37Å; R685-F688 PolarHBondContact O-N 3.47Å; E686-F688 VanDerWaalsContact C-N 3.33Å; E686-F688 PolarHBondContact O-N 3.33Å; F688-T692 WeakPolarHBondContact O-CB 3.48Å; F688-T692 PolarHBondContact O-N 3.13Å; F688-T692 PolarHBondContact O-OG1 2.92Å; F688-F746 AromaticContact CD2-CD2 3.84Å; F688-F746 HydrophobicContact CD2-CD2 3.84Å; F688-F746 AromaticContact CD2-CE2 3.64Å; F688-F746 HydrophobicContact CD2-CE2 3.64Å; F688-F746 HydrophobicContact CE2-CD2 4.36Å; F688-F746 HydrophobicContact CE2-CE2 4.07Å; F688-F746 HydrophobicContact CG-CE2 4.27Å; F688-K749 HydrophobicContact CE2-CG 4.14Å; F688-M750 HydrophobicContact CE2-SD 3.99Å; F688-M750 HydrophobicContact CZ-SD 3.89Å; F688-I753 HydrophobicContact CZ-CD1 4.42Å; F688-W769 HydrophobicContact CB-CE3 3.97Å; F688-W769 HydrophobicContact CB-CZ3 4.14Å; F688-W769 HydrophobicContact CD2-CB 4.39Å; F688-W769 HydrophobicContact CD2-CD2 4.2Å; F688-W769 AromaticContact CD2-CE3 3.67Å; F688-W769 HydrophobicContact CD2-CE3 3.67Å; F688-W769 HydrophobicContact CD2-CZ3 4.36Å; F688-W769 HydrophobicContact CG-CE3 4.26Å; F688-P770 HydrophobicContact CD1-CG 4.15Å; F688-P770 HydrophobicContact CG-CG 4.32Å; F688-T773 HydrophobicContact CE1-CG2 3.63Å; F688-T773 HydrophobicContact CZ-CG2 3.5Å
689D83.7Confident79.2Confident89 Ų8961.1 Ų61.148%0.47634%0.337SS..Hα-helixtrans-64.3-46.4-177.9-67.9-22.3000111.2R685 E686 F687 T693R685-D689 VanDerWaalsContact O-CG 3.32Å; R685-D689 PolarHBondContact O-N 2.74Å; E686-D689 PolarHBondContact O-N 3.27Å; F687-D689 PolarHBondContact O-N 3.44Å; D689-T693 VanDerWaalsContact O-CG2 3.24Å; D689-T693 WeakPolarHBondContact O-CG2 3.2Å; D689-T693 PolarHBondContact O-N 3.03Å
690I83.7Confident77.1Confident69 Ų6966.3 Ų66.335%0.35436%0.359SS..Hα-helixtrans-63.1-53.7-179.2-68.1167.9000110.8V665 E686 F687 T692 T693 F721V665-I690 HydrophobicContact CG1-CD1 4.04Å; V665-I690 HydrophobicContact CG2-CD1 3.76Å; E686-I690 WeakPolarHBondContact O-CB 3.39Å; E686-I690 WeakPolarHBondContact O-CD1 3.19Å; E686-I690 WeakPolarHBondContact O-CG1 3.1Å; E686-I690 PolarHBondContact O-N 2.87Å; F687-I690 PolarHBondContact O-N 2.92Å; I690-T692 PolarHBondContact O-N 3.07Å; I690-T693 PolarHBondContact O-N 3.38Å; I690-T693 PolarHBondContact O-OG1 3.41Å; I690-F721 HydrophobicContact CG2-CE2 4.06Å
691V84.7Confident75Confident0 Ų071.6 Ų71.60%038%0.384CS..Hα-helixtrans-72-32.4-173.6-177.60000111.1F662 F687 T693 A694 F695 F721 F727 F746F662-V691 HydrophobicContact CD2-CG2 4.04Å; F662-V691 HydrophobicContact CE2-CG1 4.38Å; F662-V691 HydrophobicContact CE2-CG2 3.76Å; F687-V691 HydrophobicContact CD1-CG2 4.13Å; F687-V691 HydrophobicContact CD2-CG2 4.19Å; F687-V691 HydrophobicContact CE1-CB 4.27Å; F687-V691 HydrophobicContact CE1-CG2 3.86Å; F687-V691 HydrophobicContact CE2-CG2 3.9Å; F687-V691 HydrophobicContact CG-CG2 4.28Å; F687-V691 HydrophobicContact CZ-CG2 3.74Å; F687-V691 WeakPolarHBondContact O-CB 3.34Å; F687-V691 VanDerWaalsContact O-CG2 3.31Å; F687-V691 WeakPolarHBondContact O-CG2 3.39Å; F687-V691 PolarHBondContact O-N 3.15Å; V691-T693 VanDerWaalsContact C-N 3.25Å; V691-T693 PolarHBondContact O-N 3.37Å; V691-A694 WeakPolarHBondContact O-CB 3.48Å; V691-A694 PolarHBondContact O-N 3.29Å; V691-F695 HydrophobicContact CG1-CE2 4.06Å; V691-F695 WeakPolarHBondContact O-CD2 3.42Å; V691-F721 HydrophobicContact CG2-CZ 4.46Å; V691-F727 HydrophobicContact CG1-CZ 4.29Å; V691-F746 HydrophobicContact CB-CE1 4.1Å; V691-F746 HydrophobicContact CB-CE2 4.31Å; V691-F746 HydrophobicContact CB-CZ 3.75Å; V691-F746 HydrophobicContact CG1-CD1 4.24Å; V691-F746 HydrophobicContact CG1-CE1 3.4Å; V691-F746 VanDerWaalsContact CG1-CE1 3.4Å; V691-F746 HydrophobicContact CG1-CE2 4.48Å; V691-F746 HydrophobicContact CG1-CZ 3.56Å
692T82.5Confident72.7Confident10 Ų1071.4 Ų71.46%0.06139%0.389CS..Hα-helixtrans-60.4-35.1175-63.40000112.1F688 I690 A694 F695 A696 M750 F779F688-T692 WeakPolarHBondContact O-CB 3.48Å; F688-T692 PolarHBondContact O-N 3.13Å; F688-T692 PolarHBondContact O-OG1 2.92Å; I690-T692 PolarHBondContact O-N 3.07Å; T692-A694 PolarHBondContact O-N 3.28Å; T692-F695 PolarHBondContact O-N 3.45Å; T692-F695 VanDerWaalsContact O-N 3.11Å; T692-A696 PolarHBondContact O-N 2.74Å; T692-M750 HydrophobicContact CG2-CE 3.82Å; T692-M750 HydrophobicContact CG2-SD 4.24Å; T692-F779 HydrophobicContact CG2-CE1 3.55Å; T692-F779 HydrophobicContact CG2-CZ 3.88Å
693T79Confident70.6Confident90 Ų9078.9 Ų78.955%0.55241%0.409SS*.Hα-helixtrans-62.1-26.1176.969.20000113.2D689 I690 V691 F695 A696D689-T693 VanDerWaalsContact O-CG2 3.24Å; D689-T693 WeakPolarHBondContact O-CG2 3.2Å; D689-T693 PolarHBondContact O-N 3.03Å; I690-T693 PolarHBondContact O-N 3.38Å; I690-T693 PolarHBondContact O-OG1 3.41Å; V691-T693 VanDerWaalsContact C-N 3.25Å; V691-T693 PolarHBondContact O-N 3.37Å; T693-F695 PolarHBondContact O-N 2.94Å; T693-A696 PolarHBondContact O-N 2.81Å
694A75Confident68.8Low27 Ų2778.1 Ų78.122%0.22341%0.412CS..THydrogen-bonded Turntrans-66.2-25.7177.100000113.3V691 T692 F721V691-A694 WeakPolarHBondContact O-CB 3.48Å; V691-A694 PolarHBondContact O-N 3.29Å; T692-A694 PolarHBondContact O-N 3.28Å; A694-F721 HydrophobicContact CB-CB 4.44Å; A694-F721 HydrophobicContact CB-CD1 3.16Å; A694-F721 HydrophobicContact CB-CD2 4.43Å; A694-F721 HydrophobicContact CB-CE1 3.28Å; A694-F721 HydrophobicContact CB-CG 3.78Å; A694-F721 HydrophobicContact CB-CZ 3.98Å
695F75.7Confident67.1Low5 Ų584 Ų842%0.02246%0.46CS..THydrogen-bonded Turntrans-101-8.7-177.4-66.8-85.9000113.4V691 T692 T693 T697 F727 F746 F747 F779 D780 F783 L784 A787V691-F695 HydrophobicContact CG1-CE2 4.06Å; V691-F695 WeakPolarHBondContact O-CD2 3.42Å; T692-F695 PolarHBondContact O-N 3.45Å; T692-F695 VanDerWaalsContact O-N 3.11Å; T693-F695 PolarHBondContact O-N 2.94Å; F695-T697 PolarHBondContact O-N 2.96Å; F695-F727 HydrophobicContact CE2-CE1 4.12Å; F695-F727 HydrophobicContact CE2-CZ 4.45Å; F695-F727 HydrophobicContact CZ-CD1 4.2Å; F695-F727 AromaticContact CZ-CE1 3.64Å; F695-F727 HydrophobicContact CZ-CE1 3.64Å; F695-F727 HydrophobicContact CZ-CZ 4.4Å; F695-F746 HydrophobicContact CE2-CE1 4.39Å; F695-F747 AromaticContact CE2-CE1 3.91Å; F695-F747 HydrophobicContact CE2-CE1 3.91Å; F695-F747 HydrophobicContact CZ-CD1 4.44Å; F695-F747 AromaticContact CZ-CE1 3.58Å; F695-F747 HydrophobicContact CZ-CE1 3.58Å; F695-F747 HydrophobicContact CZ-CZ 4.42Å; F695-F779 HydrophobicContact CB-CD1 4.1Å; F695-F779 WeakPolarHBondContact O-CA 3.41Å; F695-D780 PolarHBondContact O-N 3.09Å; F695-F783 AromaticContact CD1-CD1 3.24Å; F695-F783 HydrophobicContact CD1-CD1 3.24Å; F695-F783 AromaticContact CD1-CE1 3.46Å; F695-F783 HydrophobicContact CD1-CE1 3.46Å; F695-F783 VanDerWaalsContact CD1-CE1 3.46Å; F695-F783 HydrophobicContact CD1-CG 4.01Å; F695-F783 HydrophobicContact CD1-CZ 4.38Å; F695-F783 AromaticContact CE1-CD1 3.26Å; F695-F783 HydrophobicContact CE1-CD1 3.26Å; F695-F783 HydrophobicContact CE1-CD2 4.19Å; F695-F783 AromaticContact CE1-CE1 3.19Å; F695-F783 HydrophobicContact CE1-CE1 3.19Å; F695-F783 HydrophobicContact CE1-CE2 4.14Å; F695-F783 AromaticContact CE1-CG 3.78Å; F695-F783 HydrophobicContact CE1-CG 3.78Å; F695-F783 AromaticContact CE1-CZ 3.67Å; F695-F783 HydrophobicContact CE1-CZ 3.67Å; F695-F783 HydrophobicContact CE2-CE1 4.49Å; F695-F783 HydrophobicContact CG-CD1 4.24Å; F695-F783 HydrophobicContact CG-CE1 4.22Å; F695-F783 HydrophobicContact CZ-CD1 4.26Å; F695-F783 AromaticContact CZ-CE1 3.76Å; F695-F783 HydrophobicContact CZ-CE1 3.76Å; F695-F783 AromaticContact CZ-CZ 3.96Å; F695-F783 HydrophobicContact CZ-CZ 3.96Å; F695-L784 HydrophobicContact CD1-CB 4.38Å; F695-L784 HydrophobicContact CE1-CD1 4.43Å; F695-A787 HydrophobicContact CE1-CB 4.36Å; F695-A787 HydrophobicContact CZ-CB 4.33Å
696A71.7Confident65.8Low38 Ų3881.1 Ų81.131%0.31446%0.463SS..BIsolated β-bridgetrans-73.8120.3-179.200000110.2T692 T693 S698T692-A696 PolarHBondContact O-N 2.74Å; T693-A696 PolarHBondContact O-N 2.81Å; A696-S698 PolarHBondContact O-N 3.47Å
697T60.8Low63.9Low61 Ų6179.8 Ų79.837%0.37448%0.475SS..PPolyproline II helixtrans-70.5120.7170.6560000108.7F695 G699 S778 D780F695-T697 PolarHBondContact O-N 2.96Å; T697-G699 PolarHBondContact O-N 3.49Å; T697-G699 VanDerWaalsContact O-N 3.16Å; T697-S778 PolarHBondContact N-O 3.32Å; T697-S778 VanDerWaalsContact N-O 3.14Å; T697-S778 PolarHBondContact OG1-O 2.55Å; T697-S778 PolarHBondContact OG1-OG 3.43Å; T697-D780 HydrophobicContact CG2-CB 4.32Å
698S53.4Low61.7Low109 Ų10984 Ų8476%0.76250%0.501SS*.PPolyproline II helixtrans-62.7119.4176.763.30000109.9A696 Q700A696-S698 PolarHBondContact O-N 3.47Å; S698-Q700 PolarHBondContact O-N 3.49Å
699G44.3Very low59.6Low82 Ų8288 Ų8885%0.84553%0.527SS*.SBendtrans-71.326-171.500000116.4T697T697-G699 PolarHBondContact O-N 3.49Å; T697-G699 VanDerWaalsContact O-N 3.16Å
700Q40Very low57.5Low186 Ų18687.3 Ų87.387%0.86953%0.526SS*.  trans-125.274.5176.9-71.2-164.3-15.900111.7S698 K702S698-Q700 PolarHBondContact O-N 3.49Å; Q700-K702 PolarHBondContact O-N 3.38Å
701M40.8Very low55.2Low134 Ų13488.7 Ų88.766%0.6654%0.541SS*.  trans-70.3113.2168.1-81.9-172.6157.600111R703M701-R703 PolarHBondContact O-N 3.11Å
702K37.6Very low52.9Low199 Ų19994.1 Ų94.187%0.86558%0.575SS**  trans-71.4110.5166-139.5176.8-173.7178.80108.1Q700Q700-K702 PolarHBondContact O-N 3.38Å
703R42.6Very low50.6Low232 Ų23297.8 Ų97.888%0.87561%0.606SS**  trans-71.3138.6179-61.3177.3-169.2142.12.7110.4M701M701-R703 PolarHBondContact O-N 3.11Å
704T51.4Low48.4Very low60 Ų6097.8 Ų97.837%0.36861%0.61SS.*  trans-77.5157.6163.955.40000109.8S706 G707 V708 V710T704-S706 PolarHBondContact O-N 2.88Å; T704-S706 PolarHBondContact OG1-OG 3.21Å; T704-G707 PolarHBondContact O-N 2.84Å; T704-V708 PolarHBondContact OG1-O 3.13Å; T704-V708 VanDerWaalsContact OG1-O 3.11Å; T704-V710 HydrophobicContact CG2-CG2 3.45Å; T704-V710 VanDerWaalsContact CG2-CG2 3.45Å
705A52.5Low46.8Very low123 Ų123103.3 Ų103.3100%1.01764%0.635SS**THydrogen-bonded Turntrans-62.2-8.9-178.600000114.5
706S59.7Low44.9Very low90 Ų90109.4 Ų109.463%0.62967%0.668SS**THydrogen-bonded Turntrans-100.94-17957.80000114.6T704 V708T704-S706 PolarHBondContact O-N 2.88Å; T704-S706 PolarHBondContact OG1-OG 3.21Å; S706-V708 PolarHBondContact O-N 3.17Å; S706-V708 VanDerWaalsContact O-N 3.14Å
707G46Very low43.6Very low66 Ų66111.8 Ų111.868%0.6868%0.682SS**SBendtrans70.74.7177.300000115.2T704T704-G707 PolarHBondContact O-N 2.84Å
708V43.1Very low43Very low90 Ų90115.9 Ų115.955%0.54570%0.701SS.*  trans-85.6124.7175-176.30000108.6T704 S706 V710T704-V708 PolarHBondContact OG1-O 3.13Å; T704-V708 VanDerWaalsContact OG1-O 3.11Å; S706-V708 PolarHBondContact O-N 3.17Å; S706-V708 VanDerWaalsContact O-N 3.14Å; V708-V710 PolarHBondContact O-N 3.31Å
709P44.1Very low43.2Very low87 Ų87112.2 Ų112.257%0.56568%0.681SS**  trans-59125.6171.224.5-30.7000108.1S711P709-S711 PolarHBondContact O-N 3.43Å
710V38.1Very low43.9Very low75 Ų75114.7 Ų114.746%0.45568%0.682SS.*  trans-59.5109.5172178.20000106.2T704 V708 T712T704-V710 HydrophobicContact CG2-CG2 3.45Å; T704-V710 VanDerWaalsContact CG2-CG2 3.45Å; V708-V710 PolarHBondContact O-N 3.31Å; V710-T712 PolarHBondContact O-N 3.06Å
711S35.4Very low45.4Very low98 Ų98107.4 Ų107.469%0.68565%0.648SS**  trans-49.5133.9170.1-58.70000108.3P709 A713P709-S711 PolarHBondContact O-N 3.43Å; S711-A713 PolarHBondContact O-N 3.2Å
712T37.7Very low47Very low114 Ų114101.7 Ų101.770%0.69962%0.62SS**SBendtrans-62.442.9-175.135.50000114.5V710V710-T712 PolarHBondContact O-N 3.06Å
713A33.9Very low48.9Very low88 Ų8895 Ų9573%0.72759%0.594SS**  trans-91.70.3177.900000113.5S711S711-A713 PolarHBondContact O-N 3.2Å
714S33Very low50.7Low89 Ų8987.6 Ų87.662%0.62257%0.569SS**  trans-117.838.2-176.9740000114.5D716S714-D716 PolarHBondContact O-N 2.92Å; S714-D716 VanDerWaalsContact O-N 3.12Å
715L40.2Very low52.2Low143 Ų14395.1 Ų95.175%0.74959%0.591SS**  trans-80.955.7158.6-94.9150.8000109
716D35.8Very low53.7Low134 Ų13491.5 Ų91.572%0.71755%0.553SS**  trans-83122.6173.4-79.2-35.3000109.7S714 D718S714-D716 PolarHBondContact O-N 2.92Å; S714-D716 VanDerWaalsContact O-N 3.12Å; D716-D718 PolarHBondContact O-N 3.42Å; D716-D718 VanDerWaalsContact O-N 3.09Å
717S44.6Very low55Low87 Ų8787.2 Ų87.261%0.60852%0.523SS*.SBendtrans61.8-37.316583.60000124K658K658-S717 PolarHBondContact NZ-O 3.21Å
718D49.4Very low56.9Low147 Ų14784.5 Ų84.579%0.78649%0.492SS*.  trans-106.29.8-154.9-75.44.5000118.2D716D716-D718 PolarHBondContact O-N 3.42Å; D716-D718 VanDerWaalsContact O-N 3.09Å
719G57.2Low59Low33 Ų3381.7 Ų81.734%0.3448%0.477SS..  trans-72.2149.117400000113.5K658 F721K658-G719 VanDerWaalsContact CE-O 3.28Å; K658-G719 WeakPolarHBondContact CE-O 3.39Å; K658-G719 PolarHBondContact NZ-O 3.49Å; G719-F721 PolarHBondContact O-N 2.86Å; G719-F721 VanDerWaalsContact O-N 3.15Å
720P60Low61.1Low133 Ų13377.6 Ų77.686%0.86445%0.45SS*.SBendtrans-65.3-16.5179.226.5-34.3000113.7
721F69.9Low63.6Low34 Ų3474.1 Ų74.115%0.14943%0.429CS..SBendtrans-111.8168.1-178.3-155-97.6000111.9F662 I690 V691 A694 G719 F727F662-F721 HydrophobicContact CD2-CE2 4.34Å; F662-F721 AromaticContact CD2-CZ 3.72Å; F662-F721 HydrophobicContact CD2-CZ 3.72Å; F662-F721 HydrophobicContact CE2-CZ 4.39Å; F662-F721 HydrophobicContact CG-CZ 4.47Å; I690-F721 HydrophobicContact CG2-CE2 4.06Å; V691-F721 HydrophobicContact CG2-CZ 4.46Å; A694-F721 HydrophobicContact CB-CB 4.44Å; A694-F721 HydrophobicContact CB-CD1 3.16Å; A694-F721 HydrophobicContact CB-CD2 4.43Å; A694-F721 HydrophobicContact CB-CE1 3.28Å; A694-F721 HydrophobicContact CB-CG 3.78Å; A694-F721 HydrophobicContact CB-CZ 3.98Å; G719-F721 PolarHBondContact O-N 2.86Å; G719-F721 VanDerWaalsContact O-N 3.15Å; F721-F727 AromaticContact CE1-CD2 3.74Å; F721-F727 HydrophobicContact CE1-CD2 3.74Å; F721-F727 AromaticContact CE1-CE2 3.73Å; F721-F727 HydrophobicContact CE1-CE2 3.73Å; F721-F727 HydrophobicContact CZ-CD2 4.41Å; F721-F727 HydrophobicContact CZ-CE2 4.03Å
722L75.3Confident66.1Low13 Ų1374.1 Ų74.17%0.06842%0.418CS..  trans-56.8142176.1-67.4169.6000111.2K658 Y659 F662 Q726 F727 M730K658-L722 HydrophobicContact CB-CD2 3.57Å; K658-L722 HydrophobicContact CB-CG 4Å; Y659-L722 HydrophobicContact CD1-CD1 3.73Å; Y659-L722 HydrophobicContact CD1-CD2 3.47Å; Y659-L722 VanDerWaalsContact CD1-CD2 3.47Å; Y659-L722 HydrophobicContact CD1-CG 4.27Å; Y659-L722 HydrophobicContact CD2-CD2 4.09Å; Y659-L722 HydrophobicContact CE1-CD1 4.11Å; Y659-L722 HydrophobicContact CE1-CD2 3.49Å; Y659-L722 VanDerWaalsContact CE1-CD2 3.49Å; Y659-L722 HydrophobicContact CE1-CG 4.45Å; Y659-L722 HydrophobicContact CE2-CD2 4.09Å; Y659-L722 HydrophobicContact CG-CD2 3.79Å; F662-L722 HydrophobicContact CB-CD1 4.43Å; L722-Q726 HydrophobicContact CB-CB 4.25Å; L722-Q726 HydrophobicContact CD2-CB 4.11Å; L722-F727 HydrophobicContact CB-CB 4.18Å; L722-F727 HydrophobicContact CB-CD2 4.38Å; L722-F727 HydrophobicContact CD1-CD2 4Å; L722-M730 HydrophobicContact CD1-SD 3.99Å
723N77.9Confident68.6Low60 Ų6070 Ų7032%0.32139%0.392SS..  trans-70162.8171.275.734.5000110.8R725 Q726 F727N723-R725 VanDerWaalsContact C-N 3.32Å; N723-R725 PolarHBondContact O-N 3.4Å; N723-R725 PolarHBondContact OD1-N 2.93Å; N723-Q726 VanDerWaalsContact ND2-CD 3.32Å; N723-Q726 PolarHBondContact ND2-OE1 3.08Å; N723-Q726 PolarHBondContact O-N 3.45Å; N723-Q726 VanDerWaalsContact O-N 3.13Å; N723-Q726 VanDerWaalsContact OD1-CB 3.3Å; N723-Q726 WeakPolarHBondContact OD1-CB 3.46Å; N723-Q726 WeakPolarHBondContact OD1-CG 3.45Å; N723-Q726 PolarHBondContact OD1-N 3.2Å; N723-F727 WeakPolarHBondContact O-CB 3.48Å; N723-F727 PolarHBondContact O-N 3.37Å
724Q79.7Confident71.2Confident76 Ų7665.9 Ų65.936%0.35536%0.357SS..Hα-helixtrans-50.2-48.6-177.4169.7165.718.400112.6Q726 F727 I728 F783 E786Q724-Q726 PolarHBondContact O-N 3.28Å; Q724-F727 PolarHBondContact O-N 3.22Å; Q724-I728 VanDerWaalsContact O-CG1 3.31Å; Q724-I728 WeakPolarHBondContact O-CG1 3.28Å; Q724-I728 PolarHBondContact O-N 3.29Å; Q724-F783 HydrophobicContact CB-CD2 4.12Å; Q724-F783 HydrophobicContact CB-CE2 3.95Å; Q724-F783 HydrophobicContact CB-CZ 4.26Å; Q724-F783 HydrophobicContact CG-CD2 3.43Å; Q724-F783 VanDerWaalsContact CG-CD2 3.43Å; Q724-F783 HydrophobicContact CG-CE2 3.58Å; Q724-F783 HydrophobicContact CG-CG 4.14Å; Q724-F783 HydrophobicContact CG-CZ 4.37Å; Q724-E786 PolarHBondContact NE2-OE2 3.05Å
725R83.3Confident73.8Confident217 Ų21763.4 Ų63.482%0.81934%0.335SS*.Hα-helixtrans-65.5-42-178.9-66.1-177.1-176.7158.42.9112.7N723 F727 S729N723-R725 VanDerWaalsContact C-N 3.32Å; N723-R725 PolarHBondContact O-N 3.4Å; N723-R725 PolarHBondContact OD1-N 2.93Å; R725-F727 VanDerWaalsContact C-N 3.34Å; R725-S729 VanDerWaalsContact O-CB 3.27Å; R725-S729 WeakPolarHBondContact O-CB 3.41Å; R725-S729 PolarHBondContact O-N 3.23Å
726Q83.7Confident76.1Confident47 Ų4757.6 Ų57.622%0.2230%0.303CS..Hα-helixtrans-64.6-40.9177.8-71.5174.6-25.900110.9Y659 L722 N723 Q724 M730Y659-Q726 HydrophobicContact CE1-CB 4.06Å; Y659-Q726 WeakPolarHBondContact OH-CB 3.33Å; Y659-Q726 WeakPolarHBondContact OH-CG 3.16Å; L722-Q726 HydrophobicContact CB-CB 4.25Å; L722-Q726 HydrophobicContact CD2-CB 4.11Å; N723-Q726 VanDerWaalsContact ND2-CD 3.32Å; N723-Q726 PolarHBondContact ND2-OE1 3.08Å; N723-Q726 PolarHBondContact O-N 3.45Å; N723-Q726 VanDerWaalsContact O-N 3.13Å; N723-Q726 VanDerWaalsContact OD1-CB 3.3Å; N723-Q726 WeakPolarHBondContact OD1-CB 3.46Å; N723-Q726 WeakPolarHBondContact OD1-CG 3.45Å; N723-Q726 PolarHBondContact OD1-N 3.2Å; Q724-Q726 PolarHBondContact O-N 3.28Å; Q726-M730 WeakPolarHBondContact O-CB 3.46Å; Q726-M730 PolarHBondContact O-N 2.54Å
727F86.4Confident78.6Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-66.2-49.9178.3-167.9-109.3000111.8F662 V691 F695 F721 L722 N723 Q724 R725 S729 M730 L731 F747 F783F662-F727 AromaticContact CD2-CE2 3.96Å; F662-F727 HydrophobicContact CD2-CE2 3.96Å; F662-F727 HydrophobicContact CE1-CE2 4.3Å; F662-F727 AromaticContact CE2-CE2 3.57Å; F662-F727 HydrophobicContact CE2-CE2 3.57Å; F662-F727 HydrophobicContact CE2-CZ 4.01Å; F662-F727 HydrophobicContact CG-CE2 4.45Å; F662-F727 AromaticContact CZ-CE2 3.74Å; F662-F727 HydrophobicContact CZ-CE2 3.74Å; F662-F727 HydrophobicContact CZ-CZ 4.08Å; V691-F727 HydrophobicContact CG1-CZ 4.29Å; F695-F727 HydrophobicContact CE2-CE1 4.12Å; F695-F727 HydrophobicContact CE2-CZ 4.45Å; F695-F727 HydrophobicContact CZ-CD1 4.2Å; F695-F727 AromaticContact CZ-CE1 3.64Å; F695-F727 HydrophobicContact CZ-CE1 3.64Å; F695-F727 HydrophobicContact CZ-CZ 4.4Å; F721-F727 AromaticContact CE1-CD2 3.74Å; F721-F727 HydrophobicContact CE1-CD2 3.74Å; F721-F727 AromaticContact CE1-CE2 3.73Å; F721-F727 HydrophobicContact CE1-CE2 3.73Å; F721-F727 HydrophobicContact CZ-CD2 4.41Å; F721-F727 HydrophobicContact CZ-CE2 4.03Å; L722-F727 HydrophobicContact CB-CB 4.18Å; L722-F727 HydrophobicContact CB-CD2 4.38Å; L722-F727 HydrophobicContact CD1-CD2 4Å; N723-F727 WeakPolarHBondContact O-CB 3.48Å; N723-F727 PolarHBondContact O-N 3.37Å; Q724-F727 PolarHBondContact O-N 3.22Å; R725-F727 VanDerWaalsContact C-N 3.34Å; F727-S729 VanDerWaalsContact C-N 3.33Å; F727-S729 PolarHBondContact O-N 3.05Å; F727-M730 PolarHBondContact O-N 2.8Å; F727-M730 VanDerWaalsContact O-N 3.13Å; F727-L731 HydrophobicContact CD1-CD1 3.84Å; F727-L731 HydrophobicContact CD1-CG 4.33Å; F727-L731 HydrophobicContact CE1-CD1 3.57Å; F727-L731 HydrophobicContact CE1-CD2 4.42Å; F727-L731 HydrophobicContact CE1-CG 4.12Å; F727-L731 HydrophobicContact CZ-CD1 4.26Å; F727-L731 HydrophobicContact CZ-CD2 4.31Å; F727-L731 HydrophobicContact CZ-CG 4.42Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 2.81Å; F727-F747 HydrophobicContact CE1-CE1 4.16Å; F727-F747 AromaticContact CE1-CZ 3.72Å; F727-F747 HydrophobicContact CE1-CZ 3.72Å; F727-F747 AromaticContact CZ-CZ 3.95Å; F727-F747 HydrophobicContact CZ-CZ 3.95Å; F727-F783 HydrophobicContact CB-CZ 4.1Å; F727-F783 HydrophobicContact CD1-CE2 4.04Å; F727-F783 AromaticContact CD1-CZ 3.6Å; F727-F783 HydrophobicContact CD1-CZ 3.6Å; F727-F783 HydrophobicContact CE1-CZ 4.42Å; F727-F783 HydrophobicContact CG-CZ 4.15Å
728I87.1Confident80.8Confident9 Ų951.4 Ų51.45%0.04627%0.266CS..Hα-helixtrans-59.4-43.9175.6-63.2-59.1000111.1Q724 M730 L731 Q732 F783 E786 A787 A790Q724-I728 VanDerWaalsContact O-CG1 3.31Å; Q724-I728 WeakPolarHBondContact O-CG1 3.28Å; Q724-I728 PolarHBondContact O-N 3.29Å; I728-M730 VanDerWaalsContact C-N 3.28Å; I728-M730 PolarHBondContact O-N 3.43Å; I728-L731 HydrophobicContact CD1-CD1 4.44Å; I728-L731 PolarHBondContact O-N 2.79Å; I728-Q732 HydrophobicContact CG2-CG 4.31Å; I728-Q732 WeakPolarHBondContact O-CB 3.34Å; I728-Q732 VanDerWaalsContact O-CG 3.3Å; I728-Q732 WeakPolarHBondContact O-CG 3.26Å; I728-Q732 PolarHBondContact O-N 3.39Å; I728-F783 HydrophobicContact CD1-CD2 4.33Å; I728-F783 HydrophobicContact CD1-CE2 3.92Å; I728-F783 HydrophobicContact CG1-CE2 4.04Å; I728-E786 HydrophobicContact CD1-CB 4.3Å; I728-E786 HydrophobicContact CD1-CG 3.95Å; I728-E786 HydrophobicContact CG1-CG 4.21Å; I728-A787 HydrophobicContact CD1-CB 3.78Å; I728-A790 HydrophobicContact CG2-CB 4.27Å
729S85.5Confident82.9Confident32 Ų3244.4 Ų44.422%0.22423%0.229CC..Hα-helixtrans-60.9-37177-176.20000112.3R725 F727 L733R725-S729 VanDerWaalsContact O-CB 3.27Å; R725-S729 WeakPolarHBondContact O-CB 3.41Å; R725-S729 PolarHBondContact O-N 3.23Å; F727-S729 VanDerWaalsContact C-N 3.33Å; F727-S729 PolarHBondContact O-N 3.05Å; S729-L733 WeakPolarHBondContact O-CG 3.25Å; S729-L733 PolarHBondContact O-N 2.92Å
730M88.8Confident84.6Confident0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-69.2-46.6175.9-172.2176.6-176.500111.1T635 Y659 F662 A663 L722 Q726 F727 I728 Q732 L733 I734T635-M730 HydrophobicContact CG2-CE 3.84Å; Y659-M730 HydrophobicContact CD1-CB 4.27Å; Y659-M730 HydrophobicContact CD1-CG 4.34Å; Y659-M730 HydrophobicContact CD1-SD 3.73Å; Y659-M730 HydrophobicContact CE1-CB 4.33Å; F662-M730 HydrophobicContact CD1-CE 3.6Å; F662-M730 HydrophobicContact CD1-SD 3.51Å; F662-M730 VanDerWaalsContact CD1-SD 3.51Å; F662-M730 HydrophobicContact CE1-CE 4.19Å; F662-M730 HydrophobicContact CE1-SD 4.08Å; F662-M730 HydrophobicContact CG-SD 4.41Å; A663-M730 HydrophobicContact CB-CE 4.03Å; L722-M730 HydrophobicContact CD1-SD 3.99Å; Q726-M730 WeakPolarHBondContact O-CB 3.46Å; Q726-M730 PolarHBondContact O-N 2.54Å; F727-M730 PolarHBondContact O-N 2.8Å; F727-M730 VanDerWaalsContact O-N 3.13Å; I728-M730 VanDerWaalsContact C-N 3.28Å; I728-M730 PolarHBondContact O-N 3.43Å; M730-Q732 VanDerWaalsContact C-N 3.27Å; M730-Q732 PolarHBondContact O-N 2.94Å; M730-L733 PolarHBondContact O-N 2.91Å; M730-I734 HydrophobicContact CG-CD1 4.5Å; M730-I734 WeakPolarHBondContact O-CG1 3.29Å; M730-I734 PolarHBondContact O-N 3.43Å
731L90.3Very high86.1Confident2 Ų236.9 Ų36.91%0.0117%0.174CC..Hα-helixtrans-57-42.5176.4-67.7177.9000111.4F727 I728 L733 I734 L743 F747 A787 V791 N794F727-L731 HydrophobicContact CD1-CD1 3.84Å; F727-L731 HydrophobicContact CD1-CG 4.33Å; F727-L731 HydrophobicContact CE1-CD1 3.57Å; F727-L731 HydrophobicContact CE1-CD2 4.42Å; F727-L731 HydrophobicContact CE1-CG 4.12Å; F727-L731 HydrophobicContact CZ-CD1 4.26Å; F727-L731 HydrophobicContact CZ-CD2 4.31Å; F727-L731 HydrophobicContact CZ-CG 4.42Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 2.81Å; I728-L731 HydrophobicContact CD1-CD1 4.44Å; I728-L731 PolarHBondContact O-N 2.79Å; L731-L733 PolarHBondContact O-N 2.86Å; L731-I734 PolarHBondContact O-N 2.92Å; L731-L743 HydrophobicContact CD2-CD1 3.9Å; L731-L743 HydrophobicContact CD2-CD2 4.11Å; L731-F747 HydrophobicContact CD1-CE2 3.97Å; L731-F747 HydrophobicContact CD1-CZ 3.84Å; L731-F747 HydrophobicContact CD2-CE2 4.08Å; L731-F747 HydrophobicContact CD2-CZ 4.27Å; L731-A787 HydrophobicContact CD1-CB 3.86Å; L731-V791 HydrophobicContact CB-CG2 4.15Å; L731-V791 HydrophobicContact CD1-CG2 4Å; L731-V791 HydrophobicContact CD2-CG2 3.96Å; L731-V791 HydrophobicContact CG-CG2 4.26Å; L731-N794 PolarHBondContact O-ND2 3.37Å
732Q88.8Confident87.2Confident99 Ų9935.2 Ų35.246%0.46317%0.167SC..Hα-helixtrans-61.6-23.3176.6-76.5177.6-7.200113.9I728 M730 R735 A790 N794I728-Q732 HydrophobicContact CG2-CG 4.31Å; I728-Q732 WeakPolarHBondContact O-CB 3.34Å; I728-Q732 VanDerWaalsContact O-CG 3.3Å; I728-Q732 WeakPolarHBondContact O-CG 3.26Å; I728-Q732 PolarHBondContact O-N 3.39Å; M730-Q732 VanDerWaalsContact C-N 3.27Å; M730-Q732 PolarHBondContact O-N 2.94Å; Q732-R735 PolarHBondContact O-NH1 3.37Å; Q732-A790 HydrophobicContact CG-CB 4.15Å; Q732-N794 WeakPolarHBondContact CA-ND2 3.33Å; Q732-N794 PolarHBondContact O-ND2 3.33Å; Q732-N794 PolarHBondContact O-OD1 3.15Å
733L88.8Confident88Confident26 Ų2634.7 Ų34.714%0.13616%0.164CC..Hα-helixtrans-92.8-18.5177.5-70.6168.6000113.6H588 L633 C636 N640 S729 M730 L731 R735H588-L733 HydrophobicContact CB-CD2 4.19Å; L633-L733 HydrophobicContact CD2-CD1 3.88Å; L633-L733 HydrophobicContact CD2-CD2 4.15Å; C636-L733 HydrophobicContact CB-CB 3.86Å; N640-L733 PolarHBondContact ND2-O 3.42Å; S729-L733 WeakPolarHBondContact O-CG 3.25Å; S729-L733 PolarHBondContact O-N 2.92Å; M730-L733 PolarHBondContact O-N 2.91Å; L731-L733 PolarHBondContact O-N 2.86Å; L733-R735 PolarHBondContact O-N 3.18Å
734I89.8Confident88.7Confident2 Ų231.9 Ų31.91%0.0115%0.149CC..  trans-72.7124.2177.7-64169000109.1V639 N640 F662 L666 M730 L731 I740 L743 N794V639-I734 HydrophobicContact CG1-CG1 4.42Å; V639-I734 HydrophobicContact CG1-CG2 4.27Å; N640-I734 WeakPolarHBondContact OD1-CA 3.45Å; F662-I734 HydrophobicContact CE1-CD1 4.34Å; L666-I734 HydrophobicContact CD2-CD1 4.06Å; M730-I734 HydrophobicContact CG-CD1 4.5Å; M730-I734 WeakPolarHBondContact O-CG1 3.29Å; M730-I734 PolarHBondContact O-N 3.43Å; L731-I734 PolarHBondContact O-N 2.92Å; I734-I740 HydrophobicContact CG2-CG1 4.35Å; I734-L743 HydrophobicContact CD1-CD1 3.88Å; I734-L743 HydrophobicContact CG2-CD1 4.3Å; I734-N794 PolarHBondContact O-ND2 3.4Å
735R86.7Confident89.3Confident38 Ų3828.4 Ų28.414%0.14313%0.133CC..  trans-128.7-1.5-174.1-69.2-74.9-164.4-99.15.1112.5L591 D592 N640 Q732 L733 N794 V798L591-R735 HydrophobicContact CD2-CB 3.45Å; L591-R735 VanDerWaalsContact CD2-CB 3.45Å; L591-R735 HydrophobicContact CD2-CG 3.89Å; L591-R735 HydrophobicContact CG-CB 4.37Å; D592-R735 WeakPolarHBondContact OD1-CD 3.46Å; D592-R735 IonicContact OD1-CZ 3.93Å; D592-R735 IonicContact OD1-NE 3.52Å; D592-R735 PolarHBondContact OD1-NE 3.32Å; D592-R735 IonicContact OD2-CZ 2.81Å; D592-R735 IonicContact OD2-NE 3.42Å; D592-R735 PolarHBondContact OD2-NE 2.87Å; D592-R735 IonicContact OD2-NH2 3.54Å; D592-R735 PolarHBondContact OD2-NH2 3.28Å; N640-R735 PolarHBondContact OD1-N 3Å; Q732-R735 PolarHBondContact O-NH1 3.37Å; L733-R735 PolarHBondContact O-N 3.18Å; R735-N794 PolarHBondContact NH1-ND2 3.28Å; R735-N794 PolarHBondContact NH1-OD1 2.9Å; R735-V798 HydrophobicContact CB-CG2 3.99Å; R735-V798 HydrophobicContact CG-CG2 4.31Å; R735-V798 WeakPolarHBondContact O-CG1 3.25Å; R735-V798 WeakPolarHBondContact O-CG2 3.46Å
736E88.5Confident89.7Confident20 Ų2018 Ų189%0.0939%0.094CC..  trans-77.3124.8179-162.2-80.5127.900110.9N640 S642 W644 L738 S739 I740N640-E736 PolarHBondContact OD1-N 3.45Å; S642-E736 WeakPolarHBondContact OG-CG 3.42Å; W644-E736 HydrophobicContact CH2-CG 4.08Å; W644-E736 WeakPolarHBondContact CH2-OE2 3.38Å; W644-E736 HydrophobicContact CZ2-CG 4.12Å; W644-E736 WeakPolarHBondContact CZ2-OE2 3.46Å; E736-L738 PolarHBondContact O-N 3.35Å; E736-L738 WeakPolarHBondContact OE1-CB 3.48Å; E736-L738 PolarHBondContact OE1-N 2.9Å; E736-L738 WeakPolarHBondContact OE2-CB 3.25Å; E736-L738 PolarHBondContact OE2-N 3.37Å; E736-S739 PolarHBondContact O-N 3.14Å; E736-S739 VanDerWaalsContact OE2-CB 3.25Å; E736-S739 WeakPolarHBondContact OE2-CB 3.19Å; E736-S739 PolarHBondContact OE2-N 3.07Å; E736-S739 PolarHBondContact OE2-OG 3.2Å; E736-I740 WeakPolarHBondContact O-CG1 3.41Å; E736-I740 PolarHBondContact O-N 3.01Å
737P89.3Confident90Very high56 Ų5615.8 Ų15.836%0.3648%0.084SC..Hα-helixtrans-57.5-44.4-173-28.235.5000115.4I740 S741 V798 W805P737-I740 PolarHBondContact O-N 2.95Å; P737-S741 PolarHBondContact O-N 3.35Å; P737-V798 HydrophobicContact CG-CG1 4.2Å; P737-W805 HydrophobicContact CB-CH2 3.98Å; P737-W805 HydrophobicContact CB-CZ2 4.2Å; P737-W805 WeakPolarHBondContact O-CZ2 3.39Å
738L91.2Very high90.1Very high35 Ų3515.9 Ų15.918%0.1838%0.084CC..Hα-helixtrans-66.2-42.8-177.5177.760.7000111.3C670 V673 E736 I740 S741 I742C670-L738 HydrophobicContact CB-CD2 4.16Å; C670-L738 WeakPolarHBondContact O-CD2 3.02Å; V673-L738 HydrophobicContact CG1-CD1 3.94Å; E736-L738 PolarHBondContact O-N 3.35Å; E736-L738 WeakPolarHBondContact OE1-CB 3.48Å; E736-L738 PolarHBondContact OE1-N 2.9Å; E736-L738 WeakPolarHBondContact OE2-CB 3.25Å; E736-L738 PolarHBondContact OE2-N 3.37Å; L738-I740 VanDerWaalsContact C-N 3.32Å; L738-I740 PolarHBondContact O-N 3.43Å; L738-S741 PolarHBondContact O-N 3.25Å; L738-I742 HydrophobicContact CD1-CD1 4.02Å; L738-I742 HydrophobicContact CD1-CG1 4.39Å; L738-I742 HydrophobicContact CG-CD1 3.95Å; L738-I742 WeakPolarHBondContact O-CG1 3.2Å; L738-I742 PolarHBondContact O-N 3.47Å
739S92Very high90.1Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-59.9-43.6175.2-59.50000110.8W644 C670 E736 I742 L743W644-S739 VanDerWaalsContact CH2-OG 3.3Å; W644-S739 WeakPolarHBondContact CH2-OG 3.4Å; C670-S739 PolarHBondContact SG-OG 3.21Å; E736-S739 PolarHBondContact O-N 3.14Å; E736-S739 VanDerWaalsContact OE2-CB 3.25Å; E736-S739 WeakPolarHBondContact OE2-CB 3.19Å; E736-S739 PolarHBondContact OE2-N 3.07Å; E736-S739 PolarHBondContact OE2-OG 3.2Å; S739-I742 PolarHBondContact O-N 3.08Å; S739-L743 VanDerWaalsContact O-CB 3.3Å; S739-L743 WeakPolarHBondContact O-CB 3.38Å; S739-L743 WeakPolarHBondContact O-CD1 3.42Å; S739-L743 WeakPolarHBondContact O-CG 3.17Å; S739-L743 PolarHBondContact O-N 2.93Å
740I92.5Very high90.1Very high2 Ų216.5 Ų16.51%0.018%0.082CC..Hα-helixtrans-61.4-47.8174.8-69.9170000110.6I734 E736 P737 L738 I742 L743 L744 V791 A795 V798 W805I734-I740 HydrophobicContact CG2-CG1 4.35Å; E736-I740 WeakPolarHBondContact O-CG1 3.41Å; E736-I740 PolarHBondContact O-N 3.01Å; P737-I740 PolarHBondContact O-N 2.95Å; L738-I740 VanDerWaalsContact C-N 3.32Å; L738-I740 PolarHBondContact O-N 3.43Å; I740-I742 VanDerWaalsContact C-N 3.35Å; I740-I742 PolarHBondContact O-N 2.68Å; I740-L743 PolarHBondContact O-N 3.39Å; I740-L744 HydrophobicContact CG2-CD1 3.93Å; I740-L744 HydrophobicContact CG2-CG 4.26Å; I740-L744 WeakPolarHBondContact O-CB 2.98Å; I740-L744 WeakPolarHBondContact O-CG 3.15Å; I740-L744 PolarHBondContact O-N 2.95Å; I740-V791 HydrophobicContact CG2-CG1 4.09Å; I740-A795 HydrophobicContact CG2-CB 3.69Å; I740-V798 HydrophobicContact CD1-CB 4.28Å; I740-V798 HydrophobicContact CD1-CG2 3.79Å; I740-W805 HydrophobicContact CB-CH2 4.41Å; I740-W805 HydrophobicContact CB-CZ2 4.14Å; I740-W805 HydrophobicContact CG2-CD2 4.41Å; I740-W805 HydrophobicContact CG2-CH2 4.15Å; I740-W805 HydrophobicContact CG2-CZ2 3.86Å
741S92.2Very high90Very high6 Ų617.2 Ų17.24%0.0429%0.085CC..Hα-helixtrans-59.8-42.4177.7-75.80000112.5P737 L738 S745 E764 W805P737-S741 PolarHBondContact O-N 3.35Å; L738-S741 PolarHBondContact O-N 3.25Å; S741-S745 WeakPolarHBondContact O-CB 3.5Å; S741-S745 PolarHBondContact O-N 2.97Å; S741-E764 WeakPolarHBondContact CB-OE2 3.35Å; S741-E764 PolarHBondContact OG-OE2 2.97Å; S741-W805 PolarHBondContact OG-NE1 2.83Å
742I92.7Very high89.8Confident0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-66.1-46.7177.3-71.1165.9000110.8L666 L669 C670 V673 L738 S739 I740 S745 F746 W769L666-I742 HydrophobicContact CD1-CG2 4.27Å; L669-I742 HydrophobicContact CD2-CG2 3.6Å; L669-I742 HydrophobicContact CG-CD1 4.34Å; L669-I742 HydrophobicContact CG-CG2 4.27Å; C670-I742 HydrophobicContact CB-CD1 4.31Å; C670-I742 VanDerWaalsContact SG-CD1 3.55Å; V673-I742 HydrophobicContact CB-CD1 4.38Å; V673-I742 HydrophobicContact CG2-CD1 4.24Å; L738-I742 HydrophobicContact CD1-CD1 4.02Å; L738-I742 HydrophobicContact CD1-CG1 4.39Å; L738-I742 HydrophobicContact CG-CD1 3.95Å; L738-I742 WeakPolarHBondContact O-CG1 3.2Å; L738-I742 PolarHBondContact O-N 3.47Å; S739-I742 PolarHBondContact O-N 3.08Å; I740-I742 VanDerWaalsContact C-N 3.35Å; I740-I742 PolarHBondContact O-N 2.68Å; I742-S745 PolarHBondContact O-N 3.5Å; I742-S745 PolarHBondContact O-OG 3.01Å; I742-S745 VanDerWaalsContact O-OG 3.08Å; I742-F746 PolarHBondContact O-N 2.74Å; I742-W769 HydrophobicContact CG2-CH2 4.23Å; I742-W769 HydrophobicContact CG2-CZ2 4.25Å
743L93Very high89.5Confident1 Ų115.6 Ų15.61%0.0058%0.08CC..Hα-helixtrans-61.5-45.3177.9-72.1168.3000111.6F662 L666 F687 L731 I734 S739 I740 S745 F746 F747 V791F662-L743 HydrophobicContact CZ-CD2 3.94Å; L666-L743 HydrophobicContact CD1-CD2 4.26Å; L666-L743 HydrophobicContact CD1-CG 4.26Å; L666-L743 HydrophobicContact CD2-CD1 4.34Å; F687-L743 HydrophobicContact CZ-CD2 4.02Å; L731-L743 HydrophobicContact CD2-CD1 3.9Å; L731-L743 HydrophobicContact CD2-CD2 4.11Å; I734-L743 HydrophobicContact CD1-CD1 3.88Å; I734-L743 HydrophobicContact CG2-CD1 4.3Å; S739-L743 VanDerWaalsContact O-CB 3.3Å; S739-L743 WeakPolarHBondContact O-CB 3.38Å; S739-L743 WeakPolarHBondContact O-CD1 3.42Å; S739-L743 WeakPolarHBondContact O-CG 3.17Å; S739-L743 PolarHBondContact O-N 2.93Å; I740-L743 PolarHBondContact O-N 3.39Å; L743-S745 VanDerWaalsContact C-N 3.32Å; L743-S745 PolarHBondContact O-N 2.91Å; L743-F746 PolarHBondContact O-N 2.89Å; L743-F747 HydrophobicContact CB-CD2 4.33Å; L743-F747 HydrophobicContact CB-CE2 4.12Å; L743-F747 HydrophobicContact CD2-CE2 4.14Å; L743-F747 WeakPolarHBondContact O-CD2 3.29Å; L743-F747 PolarHBondContact O-N 3.49Å; L743-V791 HydrophobicContact CB-CG1 4.12Å; L743-V791 HydrophobicContact CB-CG2 4.41Å
744L92.3Very high89.1Confident2 Ų215.3 Ų15.31%0.018%0.08CC..Hα-helixtrans-58.6-44.8174.9-75.5177.3000111I740 F746 F747 C748 L788 V791 L792 A795 W805I740-L744 HydrophobicContact CG2-CD1 3.93Å; I740-L744 HydrophobicContact CG2-CG 4.26Å; I740-L744 WeakPolarHBondContact O-CB 2.98Å; I740-L744 WeakPolarHBondContact O-CG 3.15Å; I740-L744 PolarHBondContact O-N 2.95Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 2.69Å; L744-F747 PolarHBondContact O-N 3.25Å; L744-C748 VanDerWaalsContact O-CB 3.25Å; L744-C748 WeakPolarHBondContact O-CB 3.47Å; L744-C748 PolarHBondContact O-N 3.05Å; L744-C748 PolarHBondContact O-SG 2.67Å; L744-L788 HydrophobicContact CD2-CD1 4.05Å; L744-V791 HydrophobicContact CD2-CB 3.98Å; L744-V791 HydrophobicContact CD2-CG1 3.55Å; L744-V791 HydrophobicContact CG-CG1 3.63Å; L744-L792 HydrophobicContact CD1-CD2 4.3Å; L744-L792 HydrophobicContact CD2-CD2 3.51Å; L744-L792 HydrophobicContact CD2-CG 3.67Å; L744-A795 HydrophobicContact CD1-CB 4.26Å; L744-W805 HydrophobicContact CD1-CB 4.31Å; L744-W805 HydrophobicContact CD1-CG 3.9Å
745S91.9Very high88.5Confident2 Ų217.8 Ų17.81%0.0149%0.091CC..Hα-helixtrans-65.8-37.7-179.9900000112.7S741 I742 L743 K749 E764 W769S741-S745 WeakPolarHBondContact O-CB 3.5Å; S741-S745 PolarHBondContact O-N 2.97Å; I742-S745 PolarHBondContact O-N 3.5Å; I742-S745 PolarHBondContact O-OG 3.01Å; I742-S745 VanDerWaalsContact O-OG 3.08Å; L743-S745 VanDerWaalsContact C-N 3.32Å; L743-S745 PolarHBondContact O-N 2.91Å; S745-K749 WeakPolarHBondContact O-CB 3.36Å; S745-K749 PolarHBondContact O-N 3.18Å; S745-E764 WeakPolarHBondContact CB-O 3.35Å; S745-W769 PolarHBondContact O-NE1 3.49Å; S745-W769 WeakPolarHBondContact OG-CZ2 3.43Å; S745-W769 PolarHBondContact OG-NE1 2.91Å
746F91.1Very high87.7Confident0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-62.2-54.1173173.9-100.7000111.6F687 F688 V691 F695 I742 L743 L744 C748 K749 M750 W769F687-F746 HydrophobicContact CD1-CD2 4.08Å; F687-F746 HydrophobicContact CD1-CG 4.44Å; F687-F746 HydrophobicContact CE1-CB 4.06Å; F687-F746 HydrophobicContact CE1-CD1 4.21Å; F687-F746 AromaticContact CE1-CD2 3.82Å; F687-F746 HydrophobicContact CE1-CD2 3.82Å; F687-F746 HydrophobicContact CE1-CE2 4.36Å; F687-F746 AromaticContact CE1-CG 3.74Å; F687-F746 HydrophobicContact CE1-CG 3.74Å; F688-F746 AromaticContact CD2-CD2 3.84Å; F688-F746 HydrophobicContact CD2-CD2 3.84Å; F688-F746 AromaticContact CD2-CE2 3.64Å; F688-F746 HydrophobicContact CD2-CE2 3.64Å; F688-F746 HydrophobicContact CE2-CD2 4.36Å; F688-F746 HydrophobicContact CE2-CE2 4.07Å; F688-F746 HydrophobicContact CG-CE2 4.27Å; V691-F746 HydrophobicContact CB-CE1 4.1Å; V691-F746 HydrophobicContact CB-CE2 4.31Å; V691-F746 HydrophobicContact CB-CZ 3.75Å; V691-F746 HydrophobicContact CG1-CD1 4.24Å; V691-F746 HydrophobicContact CG1-CE1 3.4Å; V691-F746 VanDerWaalsContact CG1-CE1 3.4Å; V691-F746 HydrophobicContact CG1-CE2 4.48Å; V691-F746 HydrophobicContact CG1-CZ 3.56Å; F695-F746 HydrophobicContact CE2-CE1 4.39Å; I742-F746 PolarHBondContact O-N 2.74Å; L743-F746 PolarHBondContact O-N 2.89Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 2.69Å; F746-C748 VanDerWaalsContact C-N 3.31Å; F746-C748 PolarHBondContact O-N 3.35Å; F746-K749 WeakPolarHBondContact O-CB 3.24Å; F746-K749 PolarHBondContact O-N 3.35Å; F746-K749 VanDerWaalsContact O-N 3.15Å; F746-M750 HydrophobicContact CD1-CG 4.42Å; F746-M750 HydrophobicContact CD2-CG 4.44Å; F746-M750 HydrophobicContact CE1-CG 3.9Å; F746-M750 HydrophobicContact CE2-CG 3.92Å; F746-M750 HydrophobicContact CE2-SD 4.4Å; F746-M750 HydrophobicContact CZ-CG 3.63Å; F746-M750 HydrophobicContact CZ-SD 4.27Å; F746-M750 WeakPolarHBondContact O-CG 3.23Å; F746-M750 PolarHBondContact O-N 3.32Å; F746-W769 HydrophobicContact CB-CH2 3.85Å; F746-W769 HydrophobicContact CB-CZ2 3.5Å; F746-W769 HydrophobicContact CD2-CE3 4.33Å; F746-W769 HydrophobicContact CD2-CH2 4.09Å; F746-W769 HydrophobicContact CD2-CZ2 4.37Å; F746-W769 HydrophobicContact CD2-CZ3 4.07Å; F746-W769 HydrophobicContact CG-CH2 4.41Å; F746-W769 HydrophobicContact CG-CZ2 4.44Å
747F90.2Very high86.6Confident0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-64.5-36.6-178.1-70-55000112.1F695 F727 L731 L743 L744 M750 Y751 L784 A787 L788 V791F695-F747 AromaticContact CE2-CE1 3.91Å; F695-F747 HydrophobicContact CE2-CE1 3.91Å; F695-F747 HydrophobicContact CZ-CD1 4.44Å; F695-F747 AromaticContact CZ-CE1 3.58Å; F695-F747 HydrophobicContact CZ-CE1 3.58Å; F695-F747 HydrophobicContact CZ-CZ 4.42Å; F727-F747 HydrophobicContact CE1-CE1 4.16Å; F727-F747 AromaticContact CE1-CZ 3.72Å; F727-F747 HydrophobicContact CE1-CZ 3.72Å; F727-F747 AromaticContact CZ-CZ 3.95Å; F727-F747 HydrophobicContact CZ-CZ 3.95Å; L731-F747 HydrophobicContact CD1-CE2 3.97Å; L731-F747 HydrophobicContact CD1-CZ 3.84Å; L731-F747 HydrophobicContact CD2-CE2 4.08Å; L731-F747 HydrophobicContact CD2-CZ 4.27Å; L743-F747 HydrophobicContact CB-CD2 4.33Å; L743-F747 HydrophobicContact CB-CE2 4.12Å; L743-F747 HydrophobicContact CD2-CE2 4.14Å; L743-F747 WeakPolarHBondContact O-CD2 3.29Å; L743-F747 PolarHBondContact O-N 3.49Å; L744-F747 PolarHBondContact O-N 3.25Å; F747-M750 PolarHBondContact O-N 3.47Å; F747-Y751 VanDerWaalsContact O-CB 3.25Å; F747-Y751 WeakPolarHBondContact O-CB 3.28Å; F747-Y751 PolarHBondContact O-N 3.18Å; F747-L784 HydrophobicContact CD1-CD1 3.79Å; F747-A787 HydrophobicContact CD1-CB 4.34Å; F747-A787 HydrophobicContact CE1-CB 3.94Å; F747-A787 HydrophobicContact CZ-CB 4.12Å; F747-L788 HydrophobicContact CB-CB 4.32Å; F747-L788 HydrophobicContact CB-CD1 3.85Å; F747-V791 HydrophobicContact CD2-CG2 3.98Å; F747-V791 HydrophobicContact CE2-CG2 3.74Å
748C88.7Confident85.6Confident2 Ų231.1 Ų31.11%0.01417%0.172CC..Hα-helixtrans-61.9-44.8172.9-70.50000111.6L744 F746 M750 Y751 N752 L761 A763 T808L744-C748 VanDerWaalsContact O-CB 3.25Å; L744-C748 WeakPolarHBondContact O-CB 3.47Å; L744-C748 PolarHBondContact O-N 3.05Å; L744-C748 PolarHBondContact O-SG 2.67Å; F746-C748 VanDerWaalsContact C-N 3.31Å; F746-C748 PolarHBondContact O-N 3.35Å; C748-M750 PolarHBondContact O-N 3.42Å; C748-Y751 PolarHBondContact O-N 2.85Å; C748-N752 WeakPolarHBondContact O-CB 3.22Å; C748-N752 PolarHBondContact O-N 3.37Å; C748-N752 PolarHBondContact O-ND2 3.47Å; C748-N752 PolarHBondContact O-OD1 3.44Å; C748-L761 HydrophobicContact CB-CB 3.86Å; C748-L761 HydrophobicContact CB-CD1 4.37Å; C748-A763 HydrophobicContact CB-CB 4.02Å; C748-T808 WeakPolarHBondContact SG-CG2 3.42Å
749K87.2Confident84.5Confident53 Ų5330.3 Ų30.323%0.2317%0.17CC..Hα-helixtrans-60.7-46.3176.6-179.561.7172.2173.10111.4F688 S745 F746 Y751 N752 I753 W769 P770 A771F688-K749 HydrophobicContact CE2-CG 4.14Å; S745-K749 WeakPolarHBondContact O-CB 3.36Å; S745-K749 PolarHBondContact O-N 3.18Å; F746-K749 WeakPolarHBondContact O-CB 3.24Å; F746-K749 PolarHBondContact O-N 3.35Å; F746-K749 VanDerWaalsContact O-N 3.15Å; K749-Y751 VanDerWaalsContact C-N 3.34Å; K749-Y751 PolarHBondContact O-N 3.34Å; K749-N752 PolarHBondContact O-N 2.94Å; K749-I753 HydrophobicContact CD-CD1 4.31Å; K749-I753 HydrophobicContact CG-CD1 4.21Å; K749-I753 VanDerWaalsContact O-CG1 3.26Å; K749-I753 WeakPolarHBondContact O-CG1 3.49Å; K749-I753 PolarHBondContact O-N 3.11Å; K749-I753 VanDerWaalsContact O-N 3.13Å; K749-W769 HydrophobicContact CB-CB 4.42Å; K749-W769 HydrophobicContact CB-CG 4.17Å; K749-W769 HydrophobicContact CD-CB 4.36Å; K749-W769 HydrophobicContact CG-CB 3.82Å; K749-W769 HydrophobicContact CG-CG 4.11Å; K749-P770 WeakPolarHBondContact CE-O 3.35Å; K749-P770 PolarHBondContact NZ-O 3.16Å; K749-A771 PolarHBondContact NZ-O 3.19Å
750M85.7Confident84Confident0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-61.9-41.3177.3-73.7-59.8-64.900112.3F688 T692 F746 F747 C748 I753 S754 F779 L784F688-M750 HydrophobicContact CE2-SD 3.99Å; F688-M750 HydrophobicContact CZ-SD 3.89Å; T692-M750 HydrophobicContact CG2-CE 3.82Å; T692-M750 HydrophobicContact CG2-SD 4.24Å; F746-M750 HydrophobicContact CD1-CG 4.42Å; F746-M750 HydrophobicContact CD2-CG 4.44Å; F746-M750 HydrophobicContact CE1-CG 3.9Å; F746-M750 HydrophobicContact CE2-CG 3.92Å; F746-M750 HydrophobicContact CE2-SD 4.4Å; F746-M750 HydrophobicContact CZ-CG 3.63Å; F746-M750 HydrophobicContact CZ-SD 4.27Å; F746-M750 WeakPolarHBondContact O-CG 3.23Å; F746-M750 PolarHBondContact O-N 3.32Å; F747-M750 PolarHBondContact O-N 3.47Å; C748-M750 PolarHBondContact O-N 3.42Å; M750-I753 PolarHBondContact O-N 3.07Å; M750-S754 PolarHBondContact O-N 3.13Å; M750-F779 HydrophobicContact CE-CD1 3.8Å; M750-F779 HydrophobicContact CE-CD2 4.24Å; M750-F779 HydrophobicContact CE-CE1 3.56Å; M750-F779 HydrophobicContact CE-CE2 4.01Å; M750-F779 HydrophobicContact CE-CG 4.14Å; M750-F779 HydrophobicContact CE-CZ 3.66Å; M750-L784 HydrophobicContact CB-CD1 3.82Å; M750-L784 HydrophobicContact CB-CD2 4.13Å
751Y86.7Confident83.7Confident15 Ų1536.9 Ų36.96%0.05920%0.201CC..Hα-helixtrans-68.4-41.2178.8-171.4-88.4000111.8F747 C748 K749 I753 S754 Q755 L761 L784 L788 F812 T815F747-Y751 VanDerWaalsContact O-CB 3.25Å; F747-Y751 WeakPolarHBondContact O-CB 3.28Å; F747-Y751 PolarHBondContact O-N 3.18Å; C748-Y751 PolarHBondContact O-N 2.85Å; K749-Y751 VanDerWaalsContact C-N 3.34Å; K749-Y751 PolarHBondContact O-N 3.34Å; Y751-I753 VanDerWaalsContact C-N 3.25Å; Y751-I753 PolarHBondContact O-N 3.21Å; Y751-S754 PolarHBondContact O-N 3.34Å; Y751-S754 PolarHBondContact O-OG 2.85Å; Y751-Q755 HydrophobicContact CD1-CG 3.84Å; Y751-Q755 HydrophobicContact CE1-CG 3.55Å; Y751-Q755 WeakPolarHBondContact O-CB 3.33Å; Y751-Q755 VanDerWaalsContact O-CG 3.3Å; Y751-Q755 WeakPolarHBondContact O-CG 3.26Å; Y751-Q755 PolarHBondContact O-N 3.27Å; Y751-Q755 PolarHBondContact OH-NE2 3.43Å; Y751-L761 HydrophobicContact CD1-CD1 3.38Å; Y751-L761 HydrophobicContact CD1-CG 3.9Å; Y751-L761 HydrophobicContact CE1-CD1 4.03Å; Y751-L761 HydrophobicContact CE1-CG 4.36Å; Y751-L761 HydrophobicContact CG-CD1 3.8Å; Y751-L784 HydrophobicContact CD2-CD2 4.29Å; Y751-L784 HydrophobicContact CD2-CG 4.49Å; Y751-L788 HydrophobicContact CD2-CD2 4.36Å; Y751-L788 HydrophobicContact CG-CD2 4.41Å; Y751-F812 HydrophobicContact CE2-CE2 4.42Å; Y751-T815 HydrophobicContact CE1-CG2 4.18Å; Y751-T815 PolarHBondContact OH-OG1 3.36Å; Y751-T815 VanDerWaalsContact OH-OG1 3.12Å
752N85.8Confident83.4Confident31 Ų3138 Ų3817%0.16621%0.207CC..Hα-helixtrans-62.7-34.9176-66.2-8.7000111.8C748 K749 G757 A759 L761C748-N752 WeakPolarHBondContact O-CB 3.22Å; C748-N752 PolarHBondContact O-N 3.37Å; C748-N752 PolarHBondContact O-ND2 3.47Å; C748-N752 PolarHBondContact O-OD1 3.44Å; K749-N752 PolarHBondContact O-N 2.94Å; N752-G757 PolarHBondContact O-N 2.66Å; N752-A759 PolarHBondContact OD1-O 2.93Å; N752-L761 PolarHBondContact ND2-N 3.45Å; N752-L761 PolarHBondContact ND2-O 3.46Å; N752-L761 WeakPolarHBondContact OD1-CB 3.43Å; N752-L761 PolarHBondContact OD1-N 2.75Å
753I82.9Confident83Confident37 Ų3738.2 Ų38.219%0.1921%0.209CC..Hα-helixtrans-68.8-44.1175.1-66.9168.7000110.9F688 K749 M750 Y751 Q755 H756 T773 F779F688-I753 HydrophobicContact CZ-CD1 4.42Å; K749-I753 HydrophobicContact CD-CD1 4.31Å; K749-I753 HydrophobicContact CG-CD1 4.21Å; K749-I753 VanDerWaalsContact O-CG1 3.26Å; K749-I753 WeakPolarHBondContact O-CG1 3.49Å; K749-I753 PolarHBondContact O-N 3.11Å; K749-I753 VanDerWaalsContact O-N 3.13Å; M750-I753 PolarHBondContact O-N 3.07Å; Y751-I753 VanDerWaalsContact C-N 3.25Å; Y751-I753 PolarHBondContact O-N 3.21Å; I753-Q755 VanDerWaalsContact C-N 3.3Å; I753-Q755 PolarHBondContact O-N 3.48Å; I753-H756 PolarHBondContact O-N 3Å; I753-T773 HydrophobicContact CD1-CG2 3.54Å; I753-F779 HydrophobicContact CG2-CE2 4.38Å
754S80.2Confident82.3Confident20 Ų2040.6 Ų40.614%0.1422%0.22CC..Hα-helixtrans-67.5-30.4179.972.20000113M750 Y751 H756M750-S754 PolarHBondContact O-N 3.13Å; Y751-S754 PolarHBondContact O-N 3.34Å; Y751-S754 PolarHBondContact O-OG 2.85Å; S754-H756 VanDerWaalsContact C-N 3.25Å; S754-H756 PolarHBondContact O-N 3.05Å
755Q77.9Confident81.7Confident53 Ų5343.2 Ų43.225%0.24823%0.232CC..THydrogen-bonded Turntrans-81.63.9176.8-65.3-64-16.900114Y751 I753 G757 L758Y751-Q755 HydrophobicContact CD1-CG 3.84Å; Y751-Q755 HydrophobicContact CE1-CG 3.55Å; Y751-Q755 WeakPolarHBondContact O-CB 3.33Å; Y751-Q755 VanDerWaalsContact O-CG 3.3Å; Y751-Q755 WeakPolarHBondContact O-CG 3.26Å; Y751-Q755 PolarHBondContact O-N 3.27Å; Y751-Q755 PolarHBondContact OH-NE2 3.43Å; I753-Q755 VanDerWaalsContact C-N 3.3Å; I753-Q755 PolarHBondContact O-N 3.48Å; Q755-G757 PolarHBondContact O-N 3.47Å; Q755-L758 WeakPolarHBondContact O-CB 3.42Å; Q755-L758 WeakPolarHBondContact O-CG 3.43Å; Q755-L758 PolarHBondContact O-N 3.18Å
756H69.8Low81.2Confident175 Ų17549.6 Ų49.681%0.8126%0.262SS*.THydrogen-bonded Turntrans49.135179.6-62.5-70.1000114.2I753 S754 L758I753-H756 PolarHBondContact O-N 3Å; S754-H756 VanDerWaalsContact C-N 3.25Å; S754-H756 PolarHBondContact O-N 3.05Å; H756-L758 PolarHBondContact O-N 3.43Å
757G66.5Low80.8Confident65 Ų6553.8 Ų53.867%0.6729%0.291SS*.THydrogen-bonded Turntrans78.87.3179.200000116.1N752 Q755 A759N752-G757 PolarHBondContact O-N 2.66Å; Q755-G757 PolarHBondContact O-N 3.47Å; G757-A759 VanDerWaalsContact C-N 3.26Å; G757-A759 PolarHBondContact O-N 3.27Å
758L66.9Low80.6Confident155 Ų15555 Ų5581%0.81230%0.297SS*.SBendtrans-67.8-28.9173.1-68.5174000112.5Q755 H756Q755-L758 WeakPolarHBondContact O-CB 3.42Å; Q755-L758 WeakPolarHBondContact O-CG 3.43Å; Q755-L758 PolarHBondContact O-N 3.18Å; H756-L758 PolarHBondContact O-N 3.43Å
759A69.1Low80.5Confident18 Ų1855.7 Ų55.715%0.14930%0.3CS..  trans-135.5139.1176.100000110.6N752 G757 T815N752-A759 PolarHBondContact OD1-O 2.93Å; G757-A759 VanDerWaalsContact C-N 3.26Å; G757-A759 PolarHBondContact O-N 3.27Å; A759-T815 HydrophobicContact CB-CG2 3.29Å
760E80.7Confident80.2Confident133 Ų13354.6 Ų54.662%0.62130%0.298SS*.  trans-121.299.6176.4-172.1176.6-163.200108.7
761L85.9Confident79.7Confident6 Ų658.6 Ų58.63%0.03133%0.331CS..  trans-73.2127.8168.4-58.2-179.8000108.9C748 Y751 N752 L788 D811 F812 T815C748-L761 HydrophobicContact CB-CB 3.86Å; C748-L761 HydrophobicContact CB-CD1 4.37Å; Y751-L761 HydrophobicContact CD1-CD1 3.38Å; Y751-L761 HydrophobicContact CD1-CG 3.9Å; Y751-L761 HydrophobicContact CE1-CD1 4.03Å; Y751-L761 HydrophobicContact CE1-CG 4.36Å; Y751-L761 HydrophobicContact CG-CD1 3.8Å; N752-L761 PolarHBondContact ND2-N 3.45Å; N752-L761 PolarHBondContact ND2-O 3.46Å; N752-L761 WeakPolarHBondContact OD1-CB 3.43Å; N752-L761 PolarHBondContact OD1-N 2.75Å; L761-L788 HydrophobicContact CD1-CD2 3.64Å; L761-D811 VanDerWaalsContact CD2-C 3.44Å; L761-D811 HydrophobicContact CD2-CB 3.55Å; L761-F812 HydrophobicContact CD2-CB 4.1Å; L761-T815 HydrophobicContact CD2-CG2 4.26Å
762V85.5Confident78.8Confident29 Ų2963.3 Ų63.318%0.17636%0.361CS..  trans-99.6130.8175.6-179.40000109.8T808 D811V762-T808 WeakPolarHBondContact O-CB 3.4Å; V762-T808 PolarHBondContact O-OG1 3.37Å; V762-D811 PolarHBondContact N-OD2 3.34Å; V762-D811 VanDerWaalsContact N-OD2 3.15Å
763A84.1Confident77.9Confident6 Ų663.6 Ų63.65%0.0537%0.365CS..  trans-132.4156.3179.100000111.6C748 H766C748-A763 HydrophobicContact CB-CB 4.02Å; A763-H766 PolarHBondContact O-N 3.3Å
764E78.4Confident76.8Confident51 Ų5171.2 Ų71.224%0.23840%0.399CS..THydrogen-bonded Turntrans-61.6134.4170.1-158.4179-162.500109.2S741 S745 H802 F804S741-E764 WeakPolarHBondContact CB-OE2 3.35Å; S741-E764 PolarHBondContact OG-OE2 2.97Å; S745-E764 WeakPolarHBondContact CB-O 3.35Å; E764-H802 IonicContact OE2-CE1 2.72Å; E764-H802 PolarHBondContact OE2-CE1 3.28Å; E764-H802 IonicContact OE2-NE2 3.83Å; E764-F804 HydrophobicContact CB-CB 4.03Å; E764-F804 HydrophobicContact CB-CD1 4.49Å; E764-F804 HydrophobicContact CB-CG 4.13Å; E764-F804 HydrophobicContact CG-CD2 4.16Å; E764-F804 HydrophobicContact CG-CG 4.24Å
765H81.2Confident75.7Confident56 Ų5672.5 Ų72.526%0.25941%0.408SS..THydrogen-bonded Turntrans69.226.4-176.3-42.297.1000117.3S767 L768H765-S767 PolarHBondContact O-N 3.4Å; H765-L768 HydrophobicContact CB-CD1 3.51Å; H765-L768 HydrophobicContact CB-CG 3.88Å; H765-L768 WeakPolarHBondContact O-CB 3.23Å; H765-L768 WeakPolarHBondContact O-CG 3.43Å; H765-L768 PolarHBondContact O-N 2.88Å; H765-L768 VanDerWaalsContact O-N 3.09Å
766H81.2Confident74.3Confident136 Ų13677.1 Ų77.163%0.6344%0.44SS*.G310 helixtrans-51.2-28.1175.270.6-87.2000114.6A763 L768A763-H766 PolarHBondContact O-N 3.3Å; H766-L768 PolarHBondContact O-N 3.42Å
767S82.9Confident73.7Confident88 Ų8870.6 Ų70.662%0.61541%0.414SS*.G310 helixtrans-73.2-7.3-178.357.70000114.9H765 W769H765-S767 PolarHBondContact O-N 3.4Å; S767-W769 VanDerWaalsContact C-N 3.33Å
768L85.1Confident73.7Confident25 Ų2571.4 Ų71.413%0.13141%0.41CS..G310 helixtrans-71.6-28.4179.6-68.9178.2000112.8V673 T680 A684 H765 H766V673-L768 HydrophobicContact CG2-CD1 4.27Å; V673-L768 HydrophobicContact CG2-CD2 4.48Å; T680-L768 HydrophobicContact CG2-CD2 3.58Å; A684-L768 HydrophobicContact CB-CB 4.32Å; A684-L768 WeakPolarHBondContact CB-O 3.28Å; H765-L768 HydrophobicContact CB-CD1 3.51Å; H765-L768 HydrophobicContact CB-CG 3.88Å; H765-L768 WeakPolarHBondContact O-CB 3.23Å; H765-L768 WeakPolarHBondContact O-CG 3.43Å; H765-L768 PolarHBondContact O-N 2.88Å; H765-L768 VanDerWaalsContact O-N 3.09Å; H766-L768 PolarHBondContact O-N 3.42Å
769W87.6Confident74.1Confident18 Ų1865.3 Ų65.37%0.06838%0.377CS..SBendtrans-93.7150.9-166-50.2112.9000113.6L669 A684 F687 F688 I742 S745 F746 K749 S767L669-W769 HydrophobicContact CD2-CH2 3.81Å; L669-W769 HydrophobicContact CD2-CZ3 4.31Å; A684-W769 HydrophobicContact CB-CZ3 4.36Å; A684-W769 WeakPolarHBondContact O-CZ3 3.29Å; F687-W769 AromaticContact CD1-CH2 3.59Å; F687-W769 HydrophobicContact CD1-CH2 3.59Å; F687-W769 AromaticContact CD1-CZ3 3.72Å; F687-W769 HydrophobicContact CD1-CZ3 3.72Å; F687-W769 AromaticContact CE1-CH2 3.98Å; F687-W769 HydrophobicContact CE1-CH2 3.98Å; F687-W769 HydrophobicContact CE1-CZ3 4.47Å; F687-W769 HydrophobicContact CG-CH2 4.46Å; F688-W769 HydrophobicContact CB-CE3 3.97Å; F688-W769 HydrophobicContact CB-CZ3 4.14Å; F688-W769 HydrophobicContact CD2-CB 4.39Å; F688-W769 HydrophobicContact CD2-CD2 4.2Å; F688-W769 AromaticContact CD2-CE3 3.67Å; F688-W769 HydrophobicContact CD2-CE3 3.67Å; F688-W769 HydrophobicContact CD2-CZ3 4.36Å; F688-W769 HydrophobicContact CG-CE3 4.26Å; I742-W769 HydrophobicContact CG2-CH2 4.23Å; I742-W769 HydrophobicContact CG2-CZ2 4.25Å; S745-W769 PolarHBondContact O-NE1 3.49Å; S745-W769 WeakPolarHBondContact OG-CZ2 3.43Å; S745-W769 PolarHBondContact OG-NE1 2.91Å; F746-W769 HydrophobicContact CB-CH2 3.85Å; F746-W769 HydrophobicContact CB-CZ2 3.5Å; F746-W769 HydrophobicContact CD2-CE3 4.33Å; F746-W769 HydrophobicContact CD2-CH2 4.09Å; F746-W769 HydrophobicContact CD2-CZ2 4.37Å; F746-W769 HydrophobicContact CD2-CZ3 4.07Å; F746-W769 HydrophobicContact CG-CH2 4.41Å; F746-W769 HydrophobicContact CG-CZ2 4.44Å; K749-W769 HydrophobicContact CB-CB 4.42Å; K749-W769 HydrophobicContact CB-CG 4.17Å; K749-W769 HydrophobicContact CD-CB 4.36Å; K749-W769 HydrophobicContact CG-CB 3.82Å; K749-W769 HydrophobicContact CG-CG 4.11Å; S767-W769 VanDerWaalsContact C-N 3.33Å
770P81Confident74.7Confident29 Ų2966.8 Ų66.819%0.18838%0.382CS..  trans-56.6143.3172.5-22.132.7000112.2F688 K749 T772F688-P770 HydrophobicContact CD1-CG 4.15Å; F688-P770 HydrophobicContact CG-CG 4.32Å; K749-P770 WeakPolarHBondContact CE-O 3.35Å; K749-P770 PolarHBondContact NZ-O 3.16Å; P770-T772 VanDerWaalsContact C-N 3.32Å; P770-T772 PolarHBondContact O-N 3.31Å
771A73.5Confident74.8Confident85 Ų8563.3 Ų63.370%0.70237%0.37SS*.SBendtrans-63.1-39.1178.700000112.2K749K749-A771 PolarHBondContact NZ-O 3.19Å
772T68.6Low74.7Confident113 Ų11366.7 Ų66.769%0.69339%0.394SS*.SBendtrans-125.1135.8-174.451.30000111.7P770P770-T772 VanDerWaalsContact C-N 3.32Å; P770-T772 PolarHBondContact O-N 3.31Å
773T66.3Low74.7Confident38 Ų3866 Ų6623%0.23339%0.389CS..  trans-82.3134.6166.742.70000110.3F688 I753 S775F688-T773 HydrophobicContact CE1-CG2 3.63Å; F688-T773 HydrophobicContact CZ-CG2 3.5Å; I753-T773 HydrophobicContact CD1-CG2 3.54Å; T773-S775 VanDerWaalsContact C-N 3.27Å
774Q60.4Low74.9Confident197 Ų19765.8 Ų65.892%0.92139%0.387SS*.  trans-77.9-15.2171.7-67.3-176.24.500112.6T776Q774-T776 PolarHBondContact O-N 2.85Å
775S56.9Low75.3Confident47 Ų4765 Ų6533%0.32939%0.386SS..  trans-81.6113.9-17551.80000112T773 S777T773-S775 VanDerWaalsContact C-N 3.27Å; S775-S777 WeakPolarHBondContact CB-OG 3.48Å; S775-S777 PolarHBondContact O-N 3.36Å
776T49.2Very low75.7Confident150 Ų15066.5 Ų66.592%0.9239%0.393SS*.  trans-76.411165.841.80000113.1Q774Q774-T776 PolarHBondContact O-N 2.85Å
777S57.5Low76.2Confident37 Ų3760 Ų6026%0.25936%0.363SS..PPolyproline II helixtrans-76131.7-179.853.20000110.6S775 F779S775-S777 WeakPolarHBondContact CB-OG 3.48Å; S775-S777 PolarHBondContact O-N 3.36Å; S777-F779 PolarHBondContact O-N 2.87Å
778S66.7Low76.5Confident83 Ų8355.8 Ų55.858%0.5833%0.333SS*.PPolyproline II helixtrans-56.9130.1163.544.20000109.6T697T697-S778 PolarHBondContact N-O 3.32Å; T697-S778 VanDerWaalsContact N-O 3.14Å; T697-S778 PolarHBondContact OG1-O 2.55Å; T697-S778 PolarHBondContact OG1-OG 3.43Å
779F75.3Confident76.8Confident26 Ų2658.3 Ų58.311%0.11434%0.344CS..BIsolated β-bridgetrans-90.1146.4171.9-60.4-65.4000109.6T692 F695 M750 I753 S777 V781T692-F779 HydrophobicContact CG2-CE1 3.55Å; T692-F779 HydrophobicContact CG2-CZ 3.88Å; F695-F779 HydrophobicContact CB-CD1 4.1Å; F695-F779 WeakPolarHBondContact O-CA 3.41Å; M750-F779 HydrophobicContact CE-CD1 3.8Å; M750-F779 HydrophobicContact CE-CD2 4.24Å; M750-F779 HydrophobicContact CE-CE1 3.56Å; M750-F779 HydrophobicContact CE-CE2 4.01Å; M750-F779 HydrophobicContact CE-CG 4.14Å; M750-F779 HydrophobicContact CE-CZ 3.66Å; I753-F779 HydrophobicContact CG2-CE2 4.38Å; S777-F779 PolarHBondContact O-N 2.87Å; F779-V781 PolarHBondContact O-N 3.1Å
780D80.4Confident77Confident50 Ų5057.9 Ų57.927%0.26735%0.345SS..  trans-73.297.4166.6-172.7-10.2000109.8F695 T697 S782 F783 L784F695-D780 PolarHBondContact O-N 3.09Å; T697-D780 HydrophobicContact CG2-CB 4.32Å; D780-S782 PolarHBondContact O-N 3.35Å; D780-S782 WeakPolarHBondContact OD1-CB 3.38Å; D780-S782 PolarHBondContact OD1-N 3.43Å; D780-S782 PolarHBondContact OD1-OG 3.12Å; D780-F783 HydrophobicContact CB-CB 4.06Å; D780-F783 PolarHBondContact O-N 2.95Å; D780-F783 PolarHBondContact OD1-N 3.02Å; D780-L784 WeakPolarHBondContact O-CB 3.22Å; D780-L784 PolarHBondContact O-N 3.02Å
781V82.6Confident77.5Confident60 Ų6056.6 Ų56.636%0.36434%0.336SS..Hα-helixtrans-62.9-30-179.9-176.10000111.5F779 T785F779-V781 PolarHBondContact O-N 3.1Å; V781-T785 WeakPolarHBondContact O-CB 3.32Å; V781-T785 PolarHBondContact O-N 3.11Å; V781-T785 PolarHBondContact O-OG1 3.16Å
782S85Confident78.4Confident77 Ų7752.6 Ų52.654%0.53830%0.303SS..Hα-helixtrans-69-46.8179.872.90000111D780 L784 T785 E786D780-S782 PolarHBondContact O-N 3.35Å; D780-S782 WeakPolarHBondContact OD1-CB 3.38Å; D780-S782 PolarHBondContact OD1-N 3.43Å; D780-S782 PolarHBondContact OD1-OG 3.12Å; S782-L784 PolarHBondContact O-N 2.9Å; S782-T785 PolarHBondContact O-N 3.46Å; S782-E786 PolarHBondContact O-N 2.92Å
783F85.7Confident79.4Confident14 Ų1449.9 Ų49.96%0.06129%0.289CS..Hα-helixtrans-64.2-41.1175.5176.8-144.4000112F695 Q724 F727 I728 D780 T785 E786 A787F695-F783 AromaticContact CD1-CD1 3.24Å; F695-F783 HydrophobicContact CD1-CD1 3.24Å; F695-F783 AromaticContact CD1-CE1 3.46Å; F695-F783 HydrophobicContact CD1-CE1 3.46Å; F695-F783 VanDerWaalsContact CD1-CE1 3.46Å; F695-F783 HydrophobicContact CD1-CG 4.01Å; F695-F783 HydrophobicContact CD1-CZ 4.38Å; F695-F783 AromaticContact CE1-CD1 3.26Å; F695-F783 HydrophobicContact CE1-CD1 3.26Å; F695-F783 HydrophobicContact CE1-CD2 4.19Å; F695-F783 AromaticContact CE1-CE1 3.19Å; F695-F783 HydrophobicContact CE1-CE1 3.19Å; F695-F783 HydrophobicContact CE1-CE2 4.14Å; F695-F783 AromaticContact CE1-CG 3.78Å; F695-F783 HydrophobicContact CE1-CG 3.78Å; F695-F783 AromaticContact CE1-CZ 3.67Å; F695-F783 HydrophobicContact CE1-CZ 3.67Å; F695-F783 HydrophobicContact CE2-CE1 4.49Å; F695-F783 HydrophobicContact CG-CD1 4.24Å; F695-F783 HydrophobicContact CG-CE1 4.22Å; F695-F783 HydrophobicContact CZ-CD1 4.26Å; F695-F783 AromaticContact CZ-CE1 3.76Å; F695-F783 HydrophobicContact CZ-CE1 3.76Å; F695-F783 AromaticContact CZ-CZ 3.96Å; F695-F783 HydrophobicContact CZ-CZ 3.96Å; Q724-F783 HydrophobicContact CB-CD2 4.12Å; Q724-F783 HydrophobicContact CB-CE2 3.95Å; Q724-F783 HydrophobicContact CB-CZ 4.26Å; Q724-F783 HydrophobicContact CG-CD2 3.43Å; Q724-F783 VanDerWaalsContact CG-CD2 3.43Å; Q724-F783 HydrophobicContact CG-CE2 3.58Å; Q724-F783 HydrophobicContact CG-CG 4.14Å; Q724-F783 HydrophobicContact CG-CZ 4.37Å; F727-F783 HydrophobicContact CB-CZ 4.1Å; F727-F783 HydrophobicContact CD1-CE2 4.04Å; F727-F783 AromaticContact CD1-CZ 3.6Å; F727-F783 HydrophobicContact CD1-CZ 3.6Å; F727-F783 HydrophobicContact CE1-CZ 4.42Å; F727-F783 HydrophobicContact CG-CZ 4.15Å; I728-F783 HydrophobicContact CD1-CD2 4.33Å; I728-F783 HydrophobicContact CD1-CE2 3.92Å; I728-F783 HydrophobicContact CG1-CE2 4.04Å; D780-F783 HydrophobicContact CB-CB 4.06Å; D780-F783 PolarHBondContact O-N 2.95Å; D780-F783 PolarHBondContact OD1-N 3.02Å; F783-T785 VanDerWaalsContact C-N 3.31Å; F783-T785 PolarHBondContact O-N 2.99Å; F783-E786 PolarHBondContact O-N 3.42Å; F783-A787 WeakPolarHBondContact O-CB 3.47Å; F783-A787 PolarHBondContact O-N 2.68Å
784L87.5Confident80.4Confident1 Ų148.5 Ų48.51%0.00528%0.28CS..Hα-helixtrans-60.9-40.9176.2-179.763.4000112.2F695 F747 M750 Y751 D780 S782 A787 L788F695-L784 HydrophobicContact CD1-CB 4.38Å; F695-L784 HydrophobicContact CE1-CD1 4.43Å; F747-L784 HydrophobicContact CD1-CD1 3.79Å; M750-L784 HydrophobicContact CB-CD1 3.82Å; M750-L784 HydrophobicContact CB-CD2 4.13Å; Y751-L784 HydrophobicContact CD2-CD2 4.29Å; Y751-L784 HydrophobicContact CD2-CG 4.49Å; D780-L784 WeakPolarHBondContact O-CB 3.22Å; D780-L784 PolarHBondContact O-N 3.02Å; S782-L784 PolarHBondContact O-N 2.9Å; L784-A787 PolarHBondContact O-N 3.12Å; L784-L788 WeakPolarHBondContact O-CB 3.18Å; L784-L788 PolarHBondContact O-N 3.28Å
785T87.8Confident81.8Confident36 Ų3639.2 Ų39.222%0.22124%0.237CC..Hα-helixtrans-67.1-44.3178.5-55.80000110.9V781 S782 F783 A787 L788 E789 F812V781-T785 WeakPolarHBondContact O-CB 3.32Å; V781-T785 PolarHBondContact O-N 3.11Å; V781-T785 PolarHBondContact O-OG1 3.16Å; S782-T785 PolarHBondContact O-N 3.46Å; F783-T785 VanDerWaalsContact C-N 3.31Å; F783-T785 PolarHBondContact O-N 2.99Å; T785-A787 VanDerWaalsContact C-N 3.34Å; T785-A787 PolarHBondContact O-N 2.81Å; T785-L788 PolarHBondContact O-N 3.32Å; T785-E789 WeakPolarHBondContact O-CB 3.4Å; T785-E789 WeakPolarHBondContact O-CG 3.42Å; T785-E789 PolarHBondContact O-N 3.29Å; T785-F812 HydrophobicContact CG2-CE2 3.98Å; T785-F812 HydrophobicContact CG2-CZ 3.77Å
786E89.2Confident83.2Confident86 Ų8638.9 Ų38.940%0.40223%0.231SC..Hα-helixtrans-61.1-41.4175.7-171.4-177-170.100111.9Q724 I728 S782 F783 E789 A790Q724-E786 PolarHBondContact NE2-OE2 3.05Å; I728-E786 HydrophobicContact CD1-CB 4.3Å; I728-E786 HydrophobicContact CD1-CG 3.95Å; I728-E786 HydrophobicContact CG1-CG 4.21Å; S782-E786 PolarHBondContact O-N 2.92Å; F783-E786 PolarHBondContact O-N 3.42Å; E786-E789 PolarHBondContact O-N 3.47Å; E786-A790 WeakPolarHBondContact O-CB 3.28Å; E786-A790 PolarHBondContact O-N 3.15Å
787A90.3Very high84.9Confident0 Ų036.4 Ų36.40%021%0.211CC..Hα-helixtrans-64.7-45176.300000112.1F695 I728 L731 F747 F783 L784 T785 A790 V791F695-A787 HydrophobicContact CE1-CB 4.36Å; F695-A787 HydrophobicContact CZ-CB 4.33Å; I728-A787 HydrophobicContact CD1-CB 3.78Å; L731-A787 HydrophobicContact CD1-CB 3.86Å; F747-A787 HydrophobicContact CD1-CB 4.34Å; F747-A787 HydrophobicContact CE1-CB 3.94Å; F747-A787 HydrophobicContact CZ-CB 4.12Å; F783-A787 WeakPolarHBondContact O-CB 3.47Å; F783-A787 PolarHBondContact O-N 2.68Å; L784-A787 PolarHBondContact O-N 3.12Å; T785-A787 VanDerWaalsContact C-N 3.34Å; T785-A787 PolarHBondContact O-N 2.81Å; A787-A790 PolarHBondContact O-N 3.46Å; A787-V791 WeakPolarHBondContact O-CG2 3.41Å; A787-V791 PolarHBondContact O-N 3.1Å; A787-V791 VanDerWaalsContact O-N 3.12Å
788L90.8Very high86.1Confident0 Ų036.3 Ų36.30%021%0.209CC..Hα-helixtrans-62.7-44176.8-179.858.7000111.3L744 F747 Y751 L761 L784 T785 A790 V791 L792 F812L744-L788 HydrophobicContact CD2-CD1 4.05Å; F747-L788 HydrophobicContact CB-CB 4.32Å; F747-L788 HydrophobicContact CB-CD1 3.85Å; Y751-L788 HydrophobicContact CD2-CD2 4.36Å; Y751-L788 HydrophobicContact CG-CD2 4.41Å; L761-L788 HydrophobicContact CD1-CD2 3.64Å; L784-L788 WeakPolarHBondContact O-CB 3.18Å; L784-L788 PolarHBondContact O-N 3.28Å; T785-L788 PolarHBondContact O-N 3.32Å; L788-A790 VanDerWaalsContact C-N 3.35Å; L788-A790 PolarHBondContact O-N 3.41Å; L788-V791 PolarHBondContact O-N 3.25Å; L788-L792 HydrophobicContact CD1-CD1 4.01Å; L788-L792 HydrophobicContact CD1-CG 4.09Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.39Å; L788-L792 VanDerWaalsContact O-CB 3.26Å; L788-L792 WeakPolarHBondContact O-CB 3.4Å; L788-L792 VanDerWaalsContact O-CG 3.3Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 2.89Å; L788-F812 HydrophobicContact CD2-CD2 3.44Å; L788-F812 VanDerWaalsContact CD2-CD2 3.44Å; L788-F812 HydrophobicContact CD2-CE2 3.73Å; L788-F812 HydrophobicContact CD2-CG 4.28Å; L788-F812 HydrophobicContact CG-CD2 4.2Å; L788-F812 HydrophobicContact CG-CE2 4.32Å
789E91.7Very high87Confident77 Ų7735.8 Ų35.836%0.3620%0.198SC..Hα-helixtrans-62.3-39175.8-76.2-170.6160.300112.8T785 E786 S793 F812T785-E789 WeakPolarHBondContact O-CB 3.4Å; T785-E789 WeakPolarHBondContact O-CG 3.42Å; T785-E789 PolarHBondContact O-N 3.29Å; E786-E789 PolarHBondContact O-N 3.47Å; E789-S793 VanDerWaalsContact O-CB 3.26Å; E789-S793 WeakPolarHBondContact O-CB 3.27Å; E789-S793 PolarHBondContact O-N 3.19Å; E789-S793 PolarHBondContact O-OG 3.46Å; E789-F812 HydrophobicContact CG-CE1 3.46Å; E789-F812 VanDerWaalsContact CG-CE1 3.46Å; E789-F812 HydrophobicContact CG-CZ 3.44Å; E789-F812 VanDerWaalsContact CG-CZ 3.44Å; E789-F812 WeakPolarHBondContact OE1-CE1 3.13Å
790A90.7Very high87.5Confident10 Ų1038.5 Ų38.58%0.08322%0.218CC..Hα-helixtrans-63.1-46.117700000111.7I728 Q732 E786 A787 L788 N794I728-A790 HydrophobicContact CG2-CB 4.27Å; Q732-A790 HydrophobicContact CG-CB 4.15Å; E786-A790 WeakPolarHBondContact O-CB 3.28Å; E786-A790 PolarHBondContact O-N 3.15Å; A787-A790 PolarHBondContact O-N 3.46Å; L788-A790 VanDerWaalsContact C-N 3.35Å; L788-A790 PolarHBondContact O-N 3.41Å; A790-N794 WeakPolarHBondContact O-CB 3.47Å; A790-N794 PolarHBondContact O-N 3.48Å
791V92.1Very high87.8Confident2 Ų239.6 Ų39.61%0.01223%0.229CC..Hα-helixtrans-69-41.9178.4-176.90000111.3L731 I740 L743 L744 F747 A787 L788 S793 N794 A795L731-V791 HydrophobicContact CB-CG2 4.15Å; L731-V791 HydrophobicContact CD1-CG2 4Å; L731-V791 HydrophobicContact CD2-CG2 3.96Å; L731-V791 HydrophobicContact CG-CG2 4.26Å; I740-V791 HydrophobicContact CG2-CG1 4.09Å; L743-V791 HydrophobicContact CB-CG1 4.12Å; L743-V791 HydrophobicContact CB-CG2 4.41Å; L744-V791 HydrophobicContact CD2-CB 3.98Å; L744-V791 HydrophobicContact CD2-CG1 3.55Å; L744-V791 HydrophobicContact CG-CG1 3.63Å; F747-V791 HydrophobicContact CD2-CG2 3.98Å; F747-V791 HydrophobicContact CE2-CG2 3.74Å; A787-V791 WeakPolarHBondContact O-CG2 3.41Å; A787-V791 PolarHBondContact O-N 3.1Å; A787-V791 VanDerWaalsContact O-N 3.12Å; L788-V791 PolarHBondContact O-N 3.25Å; V791-S793 PolarHBondContact O-N 3.33Å; V791-N794 WeakPolarHBondContact O-CB 3.35Å; V791-N794 PolarHBondContact O-N 2.93Å; V791-A795 WeakPolarHBondContact O-CB 3.5Å; V791-A795 PolarHBondContact O-N 3.38Å
792L91.4Very high88.2Confident1 Ų138 Ų381%0.00522%0.218CC..Hα-helixtrans-62.9-40.9176.9-80.9175.9000112.3L744 L788 N794 A795 L796 T808 Y809 F812L744-L792 HydrophobicContact CD1-CD2 4.3Å; L744-L792 HydrophobicContact CD2-CD2 3.51Å; L744-L792 HydrophobicContact CD2-CG 3.67Å; L788-L792 HydrophobicContact CD1-CD1 4.01Å; L788-L792 HydrophobicContact CD1-CG 4.09Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.39Å; L788-L792 VanDerWaalsContact O-CB 3.26Å; L788-L792 WeakPolarHBondContact O-CB 3.4Å; L788-L792 VanDerWaalsContact O-CG 3.3Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 2.89Å; L792-N794 VanDerWaalsContact C-N 3.34Å; L792-A795 WeakPolarHBondContact O-CB 3.39Å; L792-A795 PolarHBondContact O-N 2.84Å; L792-L796 PolarHBondContact O-N 3.46Å; L792-T808 HydrophobicContact CD2-CG2 4.09Å; L792-Y809 HydrophobicContact CB-CD2 3.58Å; L792-Y809 HydrophobicContact CB-CE2 3.65Å; L792-Y809 HydrophobicContact CD1-CD2 4.03Å; L792-Y809 HydrophobicContact CD1-CE2 4.44Å; L792-Y809 HydrophobicContact CD2-CD2 3.81Å; L792-Y809 HydrophobicContact CD2-CG 4.4Å; L792-Y809 HydrophobicContact CG-CD2 4.01Å; L792-Y809 HydrophobicContact CG-CE2 4.48Å; L792-F812 HydrophobicContact CD1-CB 3.99Å; L792-F812 HydrophobicContact CD1-CD1 3.84Å; L792-F812 HydrophobicContact CD1-CG 3.88Å
793S90.3Very high88.4Confident55 Ų5535.4 Ų35.439%0.38520%0.199SC..Hα-helixtrans-65.5-39.9176.2-59.20000111.4E789 V791 L796 L797E789-S793 VanDerWaalsContact O-CB 3.26Å; E789-S793 WeakPolarHBondContact O-CB 3.27Å; E789-S793 PolarHBondContact O-N 3.19Å; E789-S793 PolarHBondContact O-OG 3.46Å; V791-S793 PolarHBondContact O-N 3.33Å; S793-L796 PolarHBondContact O-N 3.45Å; S793-L797 PolarHBondContact O-N 3.34Å
794N87.2Confident88.7Confident10 Ų1037.6 Ų37.65%0.05321%0.209CC..Hα-helixtrans-64.8-41.4174-84.27.9000113.3L731 Q732 I734 R735 A790 V791 L792 L796 L797 V798L731-N794 PolarHBondContact O-ND2 3.37Å; Q732-N794 WeakPolarHBondContact CA-ND2 3.33Å; Q732-N794 PolarHBondContact O-ND2 3.33Å; Q732-N794 PolarHBondContact O-OD1 3.15Å; I734-N794 PolarHBondContact O-ND2 3.4Å; R735-N794 PolarHBondContact NH1-ND2 3.28Å; R735-N794 PolarHBondContact NH1-OD1 2.9Å; A790-N794 WeakPolarHBondContact O-CB 3.47Å; A790-N794 PolarHBondContact O-N 3.48Å; V791-N794 WeakPolarHBondContact O-CB 3.35Å; V791-N794 PolarHBondContact O-N 2.93Å; L792-N794 VanDerWaalsContact C-N 3.34Å; N794-L796 VanDerWaalsContact C-N 3.26Å; N794-L796 PolarHBondContact O-N 2.83Å; N794-L797 PolarHBondContact O-N 2.98Å; N794-V798 WeakPolarHBondContact O-CG2 3.46Å; N794-V798 PolarHBondContact O-N 3.15Å
795A89.1Confident89Confident1 Ų137.9 Ų37.91%0.00821%0.21CC..Hα-helixtrans-55.8-43.2177.100000111.3I740 L744 V791 L792 L797 V798 Q799 W805I740-A795 HydrophobicContact CG2-CB 3.69Å; L744-A795 HydrophobicContact CD1-CB 4.26Å; V791-A795 WeakPolarHBondContact O-CB 3.5Å; V791-A795 PolarHBondContact O-N 3.38Å; L792-A795 WeakPolarHBondContact O-CB 3.39Å; L792-A795 PolarHBondContact O-N 2.84Å; A795-L797 VanDerWaalsContact C-N 3.35Å; A795-L797 PolarHBondContact O-N 3.06Å; A795-V798 PolarHBondContact O-N 2.97Å; A795-Q799 CarbonylContact O-C 3.32Å; A795-Q799 PolarHBondContact O-N 3.24Å; A795-W805 HydrophobicContact CB-CB 4.3Å; A795-W805 HydrophobicContact CB-CD2 3.85Å; A795-W805 HydrophobicContact CB-CE3 3.54Å; A795-W805 HydrophobicContact CB-CG 4.2Å; A795-W805 HydrophobicContact CB-CZ3 4.08Å; A795-W805 VanDerWaalsContact O-CZ3 3.32Å; A795-W805 WeakPolarHBondContact O-CZ3 3.3Å
796L86.2Confident89.2Confident41 Ų4136.3 Ų36.322%0.21520%0.2CC..Hα-helixtrans-67.3-31176.4-68.3176.9000113.5L792 S793 N794 P800 L806 Y809 Y825L792-L796 PolarHBondContact O-N 3.46Å; S793-L796 PolarHBondContact O-N 3.45Å; N794-L796 VanDerWaalsContact C-N 3.26Å; N794-L796 PolarHBondContact O-N 2.83Å; L796-P800 WeakPolarHBondContact O-CD 3.5Å; L796-P800 WeakPolarHBondContact O-CG 3.4Å; L796-L806 HydrophobicContact CD2-CD2 3.73Å; L796-Y809 HydrophobicContact CD1-CD2 3.92Å; L796-Y809 HydrophobicContact CD1-CE2 3.59Å; L796-Y809 HydrophobicContact CG-CD2 4.4Å; L796-Y809 HydrophobicContact CG-CE2 4.41Å; L796-Y825 HydrophobicContact CD1-CE1 4.28Å
797L85.1Confident89.4Confident97 Ų9732.5 Ų32.551%0.50818%0.182SC..Hα-helixtrans-72.4-38.9175.1-68.3173.8000112S793 N794 A795S793-L797 PolarHBondContact O-N 3.34Å; N794-L797 PolarHBondContact O-N 2.98Å; A795-L797 VanDerWaalsContact C-N 3.35Å; A795-L797 PolarHBondContact O-N 3.06Å
798V83.4Confident89.5Confident35 Ų3532.5 Ų32.521%0.21218%0.182CC..Hα-helixtrans-74.6-53.3-177.91750000111.5R735 P737 I740 N794 A795 W805R735-V798 HydrophobicContact CB-CG2 3.99Å; R735-V798 HydrophobicContact CG-CG2 4.31Å; R735-V798 WeakPolarHBondContact O-CG1 3.25Å; R735-V798 WeakPolarHBondContact O-CG2 3.46Å; P737-V798 HydrophobicContact CG-CG1 4.2Å; I740-V798 HydrophobicContact CD1-CB 4.28Å; I740-V798 HydrophobicContact CD1-CG2 3.79Å; N794-V798 WeakPolarHBondContact O-CG2 3.46Å; N794-V798 PolarHBondContact O-N 3.15Å; A795-V798 PolarHBondContact O-N 2.97Å; V798-W805 HydrophobicContact CB-CZ3 4.48Å
799Q84.7Confident89.6Confident72 Ų7233.2 Ų33.234%0.33619%0.185SC..  trans-144.389.3-178.7-169.5176.6-12.200110.6A795 S801 H802 W805A795-Q799 CarbonylContact O-C 3.32Å; A795-Q799 PolarHBondContact O-N 3.24Å; Q799-S801 PolarHBondContact O-N 3.44Å; Q799-S801 VanDerWaalsContact O-N 3.11Å; Q799-H802 HydrophobicContact CB-CB 4.36Å; Q799-H802 HydrophobicContact CG-CB 4.11Å; Q799-H802 PolarHBondContact O-N 3.17Å; Q799-W805 HydrophobicContact CB-CE3 4.32Å; Q799-W805 HydrophobicContact CB-CH2 4.29Å; Q799-W805 HydrophobicContact CB-CZ3 3.61Å
800P85.6Confident89.6Confident84 Ų8429.6 Ų29.655%0.54517%0.168SC..THydrogen-bonded Turntrans-60-24.7-179.4-16.421.6000114L796 L806L796-P800 WeakPolarHBondContact O-CD 3.5Å; L796-P800 WeakPolarHBondContact O-CG 3.4Å; P800-L806 WeakPolarHBondContact O-CD1 3.36Å
801S87.3Confident89.7Confident72 Ų7229.3 Ų29.350%0.50317%0.165SC..THydrogen-bonded Turntrans-94.39.4-175.359.50000114.3Q799 P803 A832Q799-S801 PolarHBondContact O-N 3.44Å; Q799-S801 VanDerWaalsContact O-N 3.11Å; S801-P803 VanDerWaalsContact O-CD 3.26Å; S801-P803 WeakPolarHBondContact O-CD 3.43Å; S801-A832 WeakPolarHBondContact O-CB 3.22Å
802H90.7Very high89.7Confident28 Ų2829.4 Ų29.413%0.1317%0.165CC..  trans-74.7114.3-177.3-164.5-93.4000111.7E764 Q799 F804 W805 L806E764-H802 IonicContact OE2-CE1 2.72Å; E764-H802 PolarHBondContact OE2-CE1 3.28Å; E764-H802 IonicContact OE2-NE2 3.83Å; Q799-H802 HydrophobicContact CB-CB 4.36Å; Q799-H802 HydrophobicContact CG-CB 4.11Å; Q799-H802 PolarHBondContact O-N 3.17Å; H802-F804 PolarHBondContact O-N 3.13Å; H802-W805 HydrophobicContact CB-CB 4.2Å; H802-W805 HydrophobicContact CB-CD2 3.57Å; H802-W805 HydrophobicContact CB-CE3 3.43Å; H802-W805 VanDerWaalsContact CB-CE3 3.43Å; H802-W805 HydrophobicContact CB-CG 3.93Å; H802-W805 HydrophobicContact CB-CZ3 4.08Å; H802-W805 AromaticContact CE1-CD1 3.88Å; H802-W805 AromaticContact CE1-CE2 3.99Å; H802-W805 AromaticContact CE1-NE1 3.66Å; H802-W805 AromaticContact CG-CD2 3.56Å; H802-W805 AromaticContact CG-CE2 3.81Å; H802-W805 AromaticContact CG-CE3 3.87Å; H802-W805 AromaticContact CG-CG 3.84Å; H802-W805 AromaticContact ND1-CD1 3.27Å; H802-W805 VanDerWaalsContact ND1-CD1 3.27Å; H802-W805 AromaticContact ND1-CD2 3.43Å; H802-W805 AromaticContact ND1-CE2 3.53Å; H802-W805 AromaticContact ND1-CG 3.28Å; H802-W805 VanDerWaalsContact ND1-CG 3.28Å; H802-W805 AromaticContact ND1-NE1 3.38Å; H802-W805 PolarHBondContact ND1-NE1 3.09Å; H802-W805 PolarHBondContact O-N 3.45Å; H802-L806 WeakPolarHBondContact O-CG 3.43Å; H802-L806 PolarHBondContact O-N 2.68Å; H802-L806 VanDerWaalsContact O-N 3.13Å
803P90.6Very high89.7Confident22 Ų2232 Ų3214%0.14318%0.175CC..Hα-helixtrans-62.5-43-168.6-23.833.6000114.2S801 L806 R807 A829 A832 K833 F845S801-P803 VanDerWaalsContact O-CD 3.26Å; S801-P803 WeakPolarHBondContact O-CD 3.43Å; P803-L806 PolarHBondContact O-N 3.12Å; P803-R807 PolarHBondContact O-N 2.77Å; P803-A829 WeakPolarHBondContact O-CB 3.45Å; P803-A832 HydrophobicContact CG-CB 4.04Å; P803-K833 HydrophobicContact CB-CB 4.1Å; P803-K833 HydrophobicContact CB-CD 4.44Å; P803-K833 HydrophobicContact CG-CB 4.21Å; P803-K833 HydrophobicContact CG-CD 4.32Å; P803-F845 HydrophobicContact CB-CE1 4.44Å; P803-F845 HydrophobicContact CB-CE2 3.91Å; P803-F845 HydrophobicContact CB-CZ 3.68Å; P803-F845 WeakPolarHBondContact O-CZ 3.49Å
804F91Very high89.8Confident59 Ų5930.7 Ų30.726%0.25916%0.164SC..Hα-helixtrans-67.3-38.3-178.4-73-78000112E764 H802 R807 T808 F845E764-F804 HydrophobicContact CB-CB 4.03Å; E764-F804 HydrophobicContact CB-CD1 4.49Å; E764-F804 HydrophobicContact CB-CG 4.13Å; E764-F804 HydrophobicContact CG-CD2 4.16Å; E764-F804 HydrophobicContact CG-CG 4.24Å; H802-F804 PolarHBondContact O-N 3.13Å; F804-R807 PolarHBondContact O-N 3.1Å; F804-T808 PolarHBondContact O-N 3.11Å; F804-T808 PolarHBondContact O-OG1 3.1Å; F804-F845 HydrophobicContact CD1-CD2 4.12Å; F804-F845 AromaticContact CD1-CE2 3.79Å; F804-F845 HydrophobicContact CD1-CE2 3.79Å; F804-F845 HydrophobicContact CD2-CE2 4.49Å; F804-F845 AromaticContact CE1-CD2 3.71Å; F804-F845 HydrophobicContact CE1-CD2 3.71Å; F804-F845 AromaticContact CE1-CE2 3.88Å; F804-F845 HydrophobicContact CE1-CE2 3.88Å; F804-F845 HydrophobicContact CG-CE2 4.11Å; F804-F845 AromaticContact CZ-CD2 3.93Å; F804-F845 HydrophobicContact CZ-CD2 3.93Å; F804-F845 HydrophobicContact CZ-CE2 4.28Å
805W93.7Very high89.9Confident7 Ų732.2 Ų32.23%0.02717%0.174CC..Hα-helixtrans-67.4-42179.3-58.7-13.7000110.9P737 I740 S741 L744 A795 V798 Q799 H802 T808 Y809P737-W805 HydrophobicContact CB-CH2 3.98Å; P737-W805 HydrophobicContact CB-CZ2 4.2Å; P737-W805 WeakPolarHBondContact O-CZ2 3.39Å; I740-W805 HydrophobicContact CB-CH2 4.41Å; I740-W805 HydrophobicContact CB-CZ2 4.14Å; I740-W805 HydrophobicContact CG2-CD2 4.41Å; I740-W805 HydrophobicContact CG2-CH2 4.15Å; I740-W805 HydrophobicContact CG2-CZ2 3.86Å; S741-W805 PolarHBondContact OG-NE1 2.83Å; L744-W805 HydrophobicContact CD1-CB 4.31Å; L744-W805 HydrophobicContact CD1-CG 3.9Å; A795-W805 HydrophobicContact CB-CB 4.3Å; A795-W805 HydrophobicContact CB-CD2 3.85Å; A795-W805 HydrophobicContact CB-CE3 3.54Å; A795-W805 HydrophobicContact CB-CG 4.2Å; A795-W805 HydrophobicContact CB-CZ3 4.08Å; A795-W805 VanDerWaalsContact O-CZ3 3.32Å; A795-W805 WeakPolarHBondContact O-CZ3 3.3Å; V798-W805 HydrophobicContact CB-CZ3 4.48Å; Q799-W805 HydrophobicContact CB-CE3 4.32Å; Q799-W805 HydrophobicContact CB-CH2 4.29Å; Q799-W805 HydrophobicContact CB-CZ3 3.61Å; H802-W805 HydrophobicContact CB-CB 4.2Å; H802-W805 HydrophobicContact CB-CD2 3.57Å; H802-W805 HydrophobicContact CB-CE3 3.43Å; H802-W805 VanDerWaalsContact CB-CE3 3.43Å; H802-W805 HydrophobicContact CB-CG 3.93Å; H802-W805 HydrophobicContact CB-CZ3 4.08Å; H802-W805 AromaticContact CE1-CD1 3.88Å; H802-W805 AromaticContact CE1-CE2 3.99Å; H802-W805 AromaticContact CE1-NE1 3.66Å; H802-W805 AromaticContact CG-CD2 3.56Å; H802-W805 AromaticContact CG-CE2 3.81Å; H802-W805 AromaticContact CG-CE3 3.87Å; H802-W805 AromaticContact CG-CG 3.84Å; H802-W805 AromaticContact ND1-CD1 3.27Å; H802-W805 VanDerWaalsContact ND1-CD1 3.27Å; H802-W805 AromaticContact ND1-CD2 3.43Å; H802-W805 AromaticContact ND1-CE2 3.53Å; H802-W805 AromaticContact ND1-CG 3.28Å; H802-W805 VanDerWaalsContact ND1-CG 3.28Å; H802-W805 AromaticContact ND1-NE1 3.38Å; H802-W805 PolarHBondContact ND1-NE1 3.09Å; H802-W805 PolarHBondContact O-N 3.45Å; W805-T808 PolarHBondContact O-N 2.99Å; W805-Y809 WeakPolarHBondContact O-CB 3.39Å; W805-Y809 PolarHBondContact O-N 3.41Å
806L93.1Very high89.8Confident4 Ų434.9 Ų34.92%0.02120%0.195CC..Hα-helixtrans-61.2-43.1173.7-68.3168.6000111.5L796 P800 H802 P803 Y809 G810 Y825 E828 A829L796-L806 HydrophobicContact CD2-CD2 3.73Å; P800-L806 WeakPolarHBondContact O-CD1 3.36Å; H802-L806 WeakPolarHBondContact O-CG 3.43Å; H802-L806 PolarHBondContact O-N 2.68Å; H802-L806 VanDerWaalsContact O-N 3.13Å; P803-L806 PolarHBondContact O-N 3.12Å; L806-Y809 WeakPolarHBondContact O-CB 3.37Å; L806-Y809 PolarHBondContact O-N 2.92Å; L806-G810 PolarHBondContact O-N 3.42Å; L806-Y825 HydrophobicContact CD2-CD1 3.84Å; L806-Y825 HydrophobicContact CD2-CE1 4.38Å; L806-E828 HydrophobicContact CD1-CB 4.06Å; L806-E828 HydrophobicContact CD2-CB 4.49Å; L806-A829 HydrophobicContact CB-CB 3.69Å
807R93.1Very high90Very high5 Ų539.7 Ų39.72%0.01922%0.217CC..Hα-helixtrans-59.9-49.3175.2178.4176.8171.6174.6-3111.6P803 F804 Y809 G810 D811 A829 F845 D847 M850P803-R807 PolarHBondContact O-N 2.77Å; F804-R807 PolarHBondContact O-N 3.1Å; R807-Y809 VanDerWaalsContact C-N 3.26Å; R807-Y809 PolarHBondContact O-N 3.06Å; R807-G810 WeakPolarHBondContact O-CA 3.4Å; R807-G810 PolarHBondContact O-N 3.49Å; R807-D811 PolarHBondContact O-N 3.05Å; R807-A829 HydrophobicContact CB-CB 4.37Å; R807-F845 HydrophobicContact CB-CZ 4.09Å; R807-F845 PolarHBondContact NH1-O 3Å; R807-D847 IonicContact CZ-OD1 2.87Å; R807-D847 IonicContact CZ-OD2 3.71Å; R807-D847 VanDerWaalsContact CZ-OD2 3.28Å; R807-D847 IonicContact NH1-OD1 2.68Å; R807-D847 IonicContact NH1-OD2 2.78Å; R807-D847 PolarHBondContact NH1-OD2 3.32Å; R807-D847 VanDerWaalsContact NH2-CG 3.32Å; R807-D847 IonicContact NH2-OD1 3.06Å; R807-D847 PolarHBondContact NH2-OD1 3.21Å; R807-D847 IonicContact NH2-OD2 2.77Å; R807-D847 PolarHBondContact NH2-OD2 3.17Å; R807-M850 HydrophobicContact CG-SD 4.41Å
808T92.3Very high90.4Very high1 Ų138 Ų381%0.00621%0.208CC..Hα-helixtrans-57.7-41.4176-53.50000111.5C748 V762 L792 F804 W805 G810 D811 F812C748-T808 WeakPolarHBondContact SG-CG2 3.42Å; V762-T808 WeakPolarHBondContact O-CB 3.4Å; V762-T808 PolarHBondContact O-OG1 3.37Å; L792-T808 HydrophobicContact CD2-CG2 4.09Å; F804-T808 PolarHBondContact O-N 3.11Å; F804-T808 PolarHBondContact O-OG1 3.1Å; W805-T808 PolarHBondContact O-N 2.99Å; T808-G810 VanDerWaalsContact C-N 3.33Å; T808-D811 PolarHBondContact O-N 3.12Å; T808-F812 WeakPolarHBondContact O-CB 3.44Å; T808-F812 PolarHBondContact O-N 2.92Å
809Y92.5Very high90.9Very high15 Ų1538.4 Ų38.46%0.05921%0.206CC..Hα-helixtrans-64-39.6176-152.9-76.4000111.7L792 L796 W805 L806 R807 F812 R813 Y825L792-Y809 HydrophobicContact CB-CD2 3.58Å; L792-Y809 HydrophobicContact CB-CE2 3.65Å; L792-Y809 HydrophobicContact CD1-CD2 4.03Å; L792-Y809 HydrophobicContact CD1-CE2 4.44Å; L792-Y809 HydrophobicContact CD2-CD2 3.81Å; L792-Y809 HydrophobicContact CD2-CG 4.4Å; L792-Y809 HydrophobicContact CG-CD2 4.01Å; L792-Y809 HydrophobicContact CG-CE2 4.48Å; L796-Y809 HydrophobicContact CD1-CD2 3.92Å; L796-Y809 HydrophobicContact CD1-CE2 3.59Å; L796-Y809 HydrophobicContact CG-CD2 4.4Å; L796-Y809 HydrophobicContact CG-CE2 4.41Å; W805-Y809 WeakPolarHBondContact O-CB 3.39Å; W805-Y809 PolarHBondContact O-N 3.41Å; L806-Y809 WeakPolarHBondContact O-CB 3.37Å; L806-Y809 PolarHBondContact O-N 2.92Å; R807-Y809 VanDerWaalsContact C-N 3.26Å; R807-Y809 PolarHBondContact O-N 3.06Å; Y809-F812 PolarHBondContact O-N 3.2Å; Y809-R813 HydrophobicContact CD1-CG 3.74Å; Y809-R813 HydrophobicContact CE1-CG 3.74Å; Y809-R813 VanDerWaalsContact CE1-NE 3.26Å; Y809-R813 WeakPolarHBondContact O-CB 3.3Å; Y809-R813 WeakPolarHBondContact O-CG 3.16Å; Y809-R813 PolarHBondContact O-N 3.16Å; Y809-R813 PolarHBondContact OH-NH2 3.1Å; Y809-Y825 HydrophobicContact CD1-CD1 4.03Å; Y809-Y825 AromaticContact CD1-CD2 3.35Å; Y809-Y825 HydrophobicContact CD1-CD2 3.35Å; Y809-Y825 AromaticContact CD1-CE1 3.81Å; Y809-Y825 HydrophobicContact CD1-CE1 3.81Å; Y809-Y825 AromaticContact CD1-CE2 3.15Å; Y809-Y825 HydrophobicContact CD1-CE2 3.15Å; Y809-Y825 AromaticContact CD1-CG 3.81Å; Y809-Y825 HydrophobicContact CD1-CG 3.81Å; Y809-Y825 AromaticContact CD1-CZ 3.37Å; Y809-Y825 AromaticContact CE1-CD2 3.89Å; Y809-Y825 HydrophobicContact CE1-CD2 3.89Å; Y809-Y825 HydrophobicContact CE1-CE1 4.04Å; Y809-Y825 AromaticContact CE1-CE2 3.17Å; Y809-Y825 HydrophobicContact CE1-CE2 3.17Å; Y809-Y825 AromaticContact CE1-CZ 3.23Å; Y809-Y825 VanDerWaalsContact CE1-OH 3.26Å; Y809-Y825 WeakPolarHBondContact CE1-OH 3.45Å; Y809-Y825 HydrophobicContact CG-CD1 4.41Å; Y809-Y825 HydrophobicContact CG-CD2 4.35Å; Y809-Y825 HydrophobicContact CG-CE1 4.32Å; Y809-Y825 HydrophobicContact CG-CE2 4.32Å; Y809-Y825 HydrophobicContact CG-CG 4.41Å
810G92.3Very high91.3Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-60.9-48.7173.600000112.4L806 R807 T808 F812 R813 L814 A822L806-G810 PolarHBondContact O-N 3.42Å; R807-G810 WeakPolarHBondContact O-CA 3.4Å; R807-G810 PolarHBondContact O-N 3.49Å; T808-G810 VanDerWaalsContact C-N 3.33Å; G810-F812 VanDerWaalsContact C-N 3.33Å; G810-F812 PolarHBondContact O-N 3.43Å; G810-R813 PolarHBondContact O-N 3.19Å; G810-L814 PolarHBondContact O-N 2.93Å; G810-A822 WeakPolarHBondContact O-CB 3.32Å
811D92.3Very high91.6Very high4 Ų436.2 Ų36.22%0.02120%0.195CC..Hα-helixtrans-60.1-43.1175.8-65.5-30.9000111L761 V762 R807 T808 L814 T815 Y826 N853L761-D811 VanDerWaalsContact CD2-C 3.44Å; L761-D811 HydrophobicContact CD2-CB 3.55Å; V762-D811 PolarHBondContact N-OD2 3.34Å; V762-D811 VanDerWaalsContact N-OD2 3.15Å; R807-D811 PolarHBondContact O-N 3.05Å; T808-D811 PolarHBondContact O-N 3.12Å; D811-L814 WeakPolarHBondContact O-CB 3.45Å; D811-L814 PolarHBondContact O-N 3.27Å; D811-T815 WeakPolarHBondContact O-CG2 3.28Å; D811-T815 PolarHBondContact O-N 2.91Å; D811-T815 VanDerWaalsContact O-N 3.11Å; D811-Y826 WeakPolarHBondContact CA-OH 3.46Å; D811-Y826 PolarHBondContact N-OH 2.75Å; D811-Y826 VanDerWaalsContact OD1-CE1 3.25Å; D811-Y826 WeakPolarHBondContact OD1-CE1 3.4Å; D811-Y826 VanDerWaalsContact OD1-CZ 3.28Å; D811-Y826 PolarHBondContact OD1-OH 3.41Å; D811-N853 PolarHBondContact OD1-ND2 3.35Å
812F91.7Very high92Very high4 Ų432.8 Ų32.82%0.01817%0.171CC..Hα-helixtrans-65.4-39.6177.5178.9-103.2000113Y751 L761 T785 L788 E789 L792 T808 Y809 G810 L814 T815 A816Y751-F812 HydrophobicContact CE2-CE2 4.42Å; L761-F812 HydrophobicContact CD2-CB 4.1Å; T785-F812 HydrophobicContact CG2-CE2 3.98Å; T785-F812 HydrophobicContact CG2-CZ 3.77Å; L788-F812 HydrophobicContact CD2-CD2 3.44Å; L788-F812 VanDerWaalsContact CD2-CD2 3.44Å; L788-F812 HydrophobicContact CD2-CE2 3.73Å; L788-F812 HydrophobicContact CD2-CG 4.28Å; L788-F812 HydrophobicContact CG-CD2 4.2Å; L788-F812 HydrophobicContact CG-CE2 4.32Å; E789-F812 HydrophobicContact CG-CE1 3.46Å; E789-F812 VanDerWaalsContact CG-CE1 3.46Å; E789-F812 HydrophobicContact CG-CZ 3.44Å; E789-F812 VanDerWaalsContact CG-CZ 3.44Å; E789-F812 WeakPolarHBondContact OE1-CE1 3.13Å; L792-F812 HydrophobicContact CD1-CB 3.99Å; L792-F812 HydrophobicContact CD1-CD1 3.84Å; L792-F812 HydrophobicContact CD1-CG 3.88Å; T808-F812 WeakPolarHBondContact O-CB 3.44Å; T808-F812 PolarHBondContact O-N 2.92Å; Y809-F812 PolarHBondContact O-N 3.2Å; G810-F812 VanDerWaalsContact C-N 3.33Å; G810-F812 PolarHBondContact O-N 3.43Å; F812-L814 VanDerWaalsContact C-N 3.29Å; F812-L814 PolarHBondContact O-N 3.17Å; F812-T815 PolarHBondContact O-N 3.02Å; F812-T815 PolarHBondContact O-OG1 2.78Å; F812-A816 PolarHBondContact O-N 2.72Å; F812-A816 VanDerWaalsContact O-N 3.17Å
813R91.6Very high92.1Very high57 Ų5731.5 Ų31.522%0.21517%0.165CC..Hα-helixtrans-69.6-28.8174.8-70-60.4-175.5-168.70.4112.5Y809 G810 A816 E817 N818 A822 Y825Y809-R813 HydrophobicContact CD1-CG 3.74Å; Y809-R813 HydrophobicContact CE1-CG 3.74Å; Y809-R813 VanDerWaalsContact CE1-NE 3.26Å; Y809-R813 WeakPolarHBondContact O-CB 3.3Å; Y809-R813 WeakPolarHBondContact O-CG 3.16Å; Y809-R813 PolarHBondContact O-N 3.16Å; Y809-R813 PolarHBondContact OH-NH2 3.1Å; G810-R813 PolarHBondContact O-N 3.19Å; R813-A816 CarbonylContact O-C 3.52Å; R813-A816 PolarHBondContact O-N 3.12Å; R813-E817 PolarHBondContact O-N 3.16Å; R813-N818 PolarHBondContact O-N 3.09Å; R813-A822 HydrophobicContact CB-CB 4.13Å; R813-Y825 HydrophobicContact CG-CD2 4.19Å; R813-Y825 HydrophobicContact CG-CE2 4.14Å
814L92Very high92.3Very high26 Ų2634.1 Ų34.114%0.13617%0.174CC..Hα-helixtrans-65.9-40.8172.7-179.761.6000111.5G810 D811 F812 A816 E817 Y819 A822 N853G810-L814 PolarHBondContact O-N 2.93Å; D811-L814 WeakPolarHBondContact O-CB 3.45Å; D811-L814 PolarHBondContact O-N 3.27Å; F812-L814 VanDerWaalsContact C-N 3.29Å; F812-L814 PolarHBondContact O-N 3.17Å; L814-A816 VanDerWaalsContact C-N 3.28Å; L814-A816 PolarHBondContact O-N 3.31Å; L814-E817 PolarHBondContact O-N 2.93Å; L814-Y819 HydrophobicContact CD1-CD1 3.65Å; L814-Y819 HydrophobicContact CD1-CE1 3.83Å; L814-A822 HydrophobicContact CB-CB 4.01Å; L814-N853 HydrophobicContact CD2-CB 3.55Å
815T88.9Confident92.4Very high43 Ų4333.2 Ų33.226%0.26417%0.169SC..Hα-helixtrans-67.9-30175.965.80000112.7Y751 A759 L761 D811 F812 E817Y751-T815 HydrophobicContact CE1-CG2 4.18Å; Y751-T815 PolarHBondContact OH-OG1 3.36Å; Y751-T815 VanDerWaalsContact OH-OG1 3.12Å; A759-T815 HydrophobicContact CB-CG2 3.29Å; L761-T815 HydrophobicContact CD2-CG2 4.26Å; D811-T815 WeakPolarHBondContact O-CG2 3.28Å; D811-T815 PolarHBondContact O-N 2.91Å; D811-T815 VanDerWaalsContact O-N 3.11Å; F812-T815 PolarHBondContact O-N 3.02Å; F812-T815 PolarHBondContact O-OG1 2.78Å; T815-E817 PolarHBondContact O-N 3.35Å
816A88.2Confident92.5Very high56 Ų5632.9 Ų32.946%0.46317%0.168SC..THydrogen-bonded Turntrans-77.610170.800000114F812 R813 L814 N818F812-A816 PolarHBondContact O-N 2.72Å; F812-A816 VanDerWaalsContact O-N 3.17Å; R813-A816 CarbonylContact O-C 3.52Å; R813-A816 PolarHBondContact O-N 3.12Å; L814-A816 VanDerWaalsContact C-N 3.28Å; L814-A816 PolarHBondContact O-N 3.31Å; A816-N818 PolarHBondContact O-N 3.26Å; A816-N818 VanDerWaalsContact O-N 3.08Å
817E90.5Very high92.5Very high142 Ų14232.7 Ų32.766%0.66417%0.167SC*.THydrogen-bonded Turntrans57.119.1-177.9-55.5-170.3165.800115R813 L814 T815 Y819R813-E817 PolarHBondContact O-N 3.16Å; L814-E817 PolarHBondContact O-N 2.93Å; T815-E817 PolarHBondContact O-N 3.35Å; E817-Y819 HydrophobicContact CB-CE2 4.29Å; E817-Y819 VanDerWaalsContact O-CD2 3.29Å; E817-Y819 WeakPolarHBondContact O-CD2 3.3Å; E817-Y819 VanDerWaalsContact O-CE2 3.25Å; E817-Y819 WeakPolarHBondContact O-CE2 3.26Å; E817-Y819 PolarHBondContact O-N 3.34Å
818N92.8Very high92.5Very high61 Ų6134.6 Ų34.633%0.32618%0.176SC..  trans-9479.2174.8-172.5-10.7000110.6R813 A816 N820 S821 A822R813-N818 PolarHBondContact O-N 3.09Å; A816-N818 PolarHBondContact O-N 3.26Å; A816-N818 VanDerWaalsContact O-N 3.08Å; N818-N820 VanDerWaalsContact C-N 3.35Å; N818-N820 PolarHBondContact O-N 3.49Å; N818-S821 PolarHBondContact ND2-OG 3.49Å; N818-S821 PolarHBondContact O-N 2.85Å; N818-S821 PolarHBondContact OD1-N 3.19Å; N818-S821 PolarHBondContact OD1-OG 3.37Å; N818-A822 WeakPolarHBondContact O-CB 3.37Å; N818-A822 PolarHBondContact O-N 2.94Å
819Y93.8Very high92.6Very high45 Ų4534.6 Ų34.618%0.17618%0.176CC..Hα-helixtrans-63.2-34.3-174.1-51.1-70.3000114L814 E817 M823 K860L814-Y819 HydrophobicContact CD1-CD1 3.65Å; L814-Y819 HydrophobicContact CD1-CE1 3.83Å; E817-Y819 HydrophobicContact CB-CE2 4.29Å; E817-Y819 VanDerWaalsContact O-CD2 3.29Å; E817-Y819 WeakPolarHBondContact O-CD2 3.3Å; E817-Y819 VanDerWaalsContact O-CE2 3.25Å; E817-Y819 WeakPolarHBondContact O-CE2 3.26Å; E817-Y819 PolarHBondContact O-N 3.34Å; Y819-M823 WeakPolarHBondContact O-CB 3.21Å; Y819-M823 PolarHBondContact O-N 3.18Å; Y819-K860 HydrophobicContact CD1-CB 3.94Å; Y819-K860 HydrophobicContact CD1-CG 4.16Å; Y819-K860 HydrophobicContact CD2-CB 3.71Å; Y819-K860 HydrophobicContact CD2-CG 4.46Å; Y819-K860 HydrophobicContact CE1-CB 3.92Å; Y819-K860 HydrophobicContact CE1-CG 3.69Å; Y819-K860 HydrophobicContact CE2-CB 3.71Å; Y819-K860 HydrophobicContact CE2-CD 4.41Å; Y819-K860 HydrophobicContact CE2-CG 4.05Å; Y819-K860 HydrophobicContact CG-CB 3.84Å
820N93.1Very high92.6Very high74 Ų7433.9 Ų33.940%0.39617%0.173SC..Hα-helixtrans-66.8-49.1178.6-86.1-47.8000111.2N818 M823 K824 L861N818-N820 VanDerWaalsContact C-N 3.35Å; N818-N820 PolarHBondContact O-N 3.49Å; N820-M823 PolarHBondContact O-N 3.31Å; N820-K824 PolarHBondContact O-N 3.43Å; N820-L861 WeakPolarHBondContact ND2-CD2 2.89Å; N820-L861 WeakPolarHBondContact OD1-CD1 3.32Å
821S93.1Very high92.6Very high36 Ų3636 Ų3625%0.25218%0.184SC..Hα-helixtrans-64.4-42176.5-62.80000111.3N818 M823 K824 Y825N818-S821 PolarHBondContact ND2-OG 3.49Å; N818-S821 PolarHBondContact O-N 2.85Å; N818-S821 PolarHBondContact OD1-N 3.19Å; N818-S821 PolarHBondContact OD1-OG 3.37Å; S821-M823 VanDerWaalsContact C-N 3.35Å; S821-M823 PolarHBondContact O-N 2.94Å; S821-K824 WeakPolarHBondContact O-CB 3.33Å; S821-K824 PolarHBondContact O-N 3.42Å; S821-Y825 WeakPolarHBondContact O-CD2 3.17Å; S821-Y825 PolarHBondContact O-N 3.38Å
822A94Very high92.5Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-55.9-49176.100000111.8G810 R813 L814 N818 K824 Y825 Y826G810-A822 WeakPolarHBondContact O-CB 3.32Å; R813-A822 HydrophobicContact CB-CB 4.13Å; L814-A822 HydrophobicContact CB-CB 4.01Å; N818-A822 WeakPolarHBondContact O-CB 3.37Å; N818-A822 PolarHBondContact O-N 2.94Å; A822-K824 PolarHBondContact O-N 2.9Å; A822-Y825 PolarHBondContact O-N 2.98Å; A822-Y826 HydrophobicContact CB-CE2 4.31Å; A822-Y826 WeakPolarHBondContact O-CD2 3.34Å; A822-Y826 VanDerWaalsContact O-CG 3.3Å; A822-Y826 PolarHBondContact O-N 3.36Å
823M93.8Very high92.5Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-60.7-44.7177-171.167.89000112.1Y819 N820 S821 Y825 Y826 L827 M854 C857 S858 L870 F964Y819-M823 WeakPolarHBondContact O-CB 3.21Å; Y819-M823 PolarHBondContact O-N 3.18Å; N820-M823 PolarHBondContact O-N 3.31Å; S821-M823 VanDerWaalsContact C-N 3.35Å; S821-M823 PolarHBondContact O-N 2.94Å; M823-Y825 PolarHBondContact O-N 3Å; M823-Y826 PolarHBondContact O-N 3.34Å; M823-L827 HydrophobicContact CG-CD1 3.88Å; M823-L827 HydrophobicContact CG-CG 4.39Å; M823-L827 VanDerWaalsContact O-CG 3.27Å; M823-L827 WeakPolarHBondContact O-CG 3.43Å; M823-L827 PolarHBondContact O-N 3.01Å; M823-L827 HydrophobicContact SD-CD1 4.48Å; M823-M854 HydrophobicContact CE-CB 4.22Å; M823-M854 VanDerWaalsContact CE-O 3.29Å; M823-M854 WeakPolarHBondContact CE-O 3.22Å; M823-M854 HydrophobicContact SD-CB 4.08Å; M823-M854 HydrophobicContact SD-CE 3.57Å; M823-M854 VanDerWaalsContact SD-CE 3.57Å; M823-M854 HydrophobicContact SD-CG 3.97Å; M823-C857 HydrophobicContact CE-CB 3.92Å; M823-S858 WeakPolarHBondContact CE-OG 3.39Å; M823-L870 HydrophobicContact CE-CD1 4.43Å; M823-F964 HydrophobicContact CB-CD1 4.08Å; M823-F964 HydrophobicContact CB-CE1 3.86Å; M823-F964 HydrophobicContact CB-CZ 4.15Å; M823-F964 HydrophobicContact CE-CE2 4.44Å; M823-F964 HydrophobicContact CE-CZ 4.28Å; M823-F964 HydrophobicContact CG-CD1 3.94Å; M823-F964 HydrophobicContact CG-CD2 3.81Å; M823-F964 HydrophobicContact CG-CE1 3.73Å; M823-F964 HydrophobicContact CG-CE2 3.61Å; M823-F964 HydrophobicContact CG-CG 3.98Å; M823-F964 HydrophobicContact CG-CZ 3.56Å
824K94.4Very high92.3Very high78 Ų7839 Ų3934%0.33921%0.205SC..Hα-helixtrans-55.2-50.9176.2167.6167.1-177.7177.80111.9N820 S821 A822 Y826 L827 E828 V965N820-K824 PolarHBondContact O-N 3.43Å; S821-K824 WeakPolarHBondContact O-CB 3.33Å; S821-K824 PolarHBondContact O-N 3.42Å; A822-K824 PolarHBondContact O-N 2.9Å; K824-Y826 PolarHBondContact O-N 2.62Å; K824-L827 PolarHBondContact O-N 3.16Å; K824-E828 WeakPolarHBondContact CE-OE1 3.4Å; K824-E828 HydrophobicContact CG-CG 4.48Å; K824-E828 IonicContact NZ-OE1 2.76Å; K824-E828 WeakPolarHBondContact O-CG 3.35Å; K824-E828 PolarHBondContact O-N 2.64Å; K824-V965 HydrophobicContact CB-CG2 4.41Å; K824-V965 HydrophobicContact CD-CG2 4.19Å; K824-V965 HydrophobicContact CG-CG2 3.81Å
825Y93.8Very high92Very high39 Ų3942.8 Ų42.815%0.15323%0.225CC..Hα-helixtrans-66.6-36.5-179.3-71.2-64.3000112.9L796 L806 Y809 R813 S821 A822 M823 L827 A829L796-Y825 HydrophobicContact CD1-CE1 4.28Å; L806-Y825 HydrophobicContact CD2-CD1 3.84Å; L806-Y825 HydrophobicContact CD2-CE1 4.38Å; Y809-Y825 HydrophobicContact CD1-CD1 4.03Å; Y809-Y825 AromaticContact CD1-CD2 3.35Å; Y809-Y825 HydrophobicContact CD1-CD2 3.35Å; Y809-Y825 AromaticContact CD1-CE1 3.81Å; Y809-Y825 HydrophobicContact CD1-CE1 3.81Å; Y809-Y825 AromaticContact CD1-CE2 3.15Å; Y809-Y825 HydrophobicContact CD1-CE2 3.15Å; Y809-Y825 AromaticContact CD1-CG 3.81Å; Y809-Y825 HydrophobicContact CD1-CG 3.81Å; Y809-Y825 AromaticContact CD1-CZ 3.37Å; Y809-Y825 AromaticContact CE1-CD2 3.89Å; Y809-Y825 HydrophobicContact CE1-CD2 3.89Å; Y809-Y825 HydrophobicContact CE1-CE1 4.04Å; Y809-Y825 AromaticContact CE1-CE2 3.17Å; Y809-Y825 HydrophobicContact CE1-CE2 3.17Å; Y809-Y825 AromaticContact CE1-CZ 3.23Å; Y809-Y825 VanDerWaalsContact CE1-OH 3.26Å; Y809-Y825 WeakPolarHBondContact CE1-OH 3.45Å; Y809-Y825 HydrophobicContact CG-CD1 4.41Å; Y809-Y825 HydrophobicContact CG-CD2 4.35Å; Y809-Y825 HydrophobicContact CG-CE1 4.32Å; Y809-Y825 HydrophobicContact CG-CE2 4.32Å; Y809-Y825 HydrophobicContact CG-CG 4.41Å; R813-Y825 HydrophobicContact CG-CD2 4.19Å; R813-Y825 HydrophobicContact CG-CE2 4.14Å; S821-Y825 WeakPolarHBondContact O-CD2 3.17Å; S821-Y825 PolarHBondContact O-N 3.38Å; A822-Y825 PolarHBondContact O-N 2.98Å; M823-Y825 PolarHBondContact O-N 3Å; Y825-L827 VanDerWaalsContact C-N 3.34Å; Y825-L827 PolarHBondContact O-N 3.26Å; Y825-A829 VanDerWaalsContact O-CB 3.24Å; Y825-A829 WeakPolarHBondContact O-CB 3.47Å; Y825-A829 PolarHBondContact O-N 2.85Å
826Y94.5Very high91.9Very high0 Ų043.9 Ų43.90%023%0.234CC..Hα-helixtrans-61.1-42.6171.9-68.7-36.9000112D811 A822 M823 K824 A829 L830 M850 N853 M854D811-Y826 WeakPolarHBondContact CA-OH 3.46Å; D811-Y826 PolarHBondContact N-OH 2.75Å; D811-Y826 VanDerWaalsContact OD1-CE1 3.25Å; D811-Y826 WeakPolarHBondContact OD1-CE1 3.4Å; D811-Y826 VanDerWaalsContact OD1-CZ 3.28Å; D811-Y826 PolarHBondContact OD1-OH 3.41Å; A822-Y826 HydrophobicContact CB-CE2 4.31Å; A822-Y826 WeakPolarHBondContact O-CD2 3.34Å; A822-Y826 VanDerWaalsContact O-CG 3.3Å; A822-Y826 PolarHBondContact O-N 3.36Å; M823-Y826 PolarHBondContact O-N 3.34Å; K824-Y826 PolarHBondContact O-N 2.62Å; Y826-A829 WeakPolarHBondContact O-CB 3.45Å; Y826-A829 PolarHBondContact O-N 3.07Å; Y826-L830 VanDerWaalsContact O-CG 3.26Å; Y826-L830 WeakPolarHBondContact O-CG 3.23Å; Y826-L830 PolarHBondContact O-N 3.34Å; Y826-M850 HydrophobicContact CD1-CE 3.66Å; Y826-M850 HydrophobicContact CD1-CG 4.18Å; Y826-M850 HydrophobicContact CE1-CG 4.4Å; Y826-M850 HydrophobicContact CG-CE 3.88Å; Y826-M850 WeakPolarHBondContact O-CE 3.08Å; Y826-N853 HydrophobicContact CE2-CB 3.97Å; Y826-N853 WeakPolarHBondContact OH-CB 3.3Å; Y826-N853 PolarHBondContact OH-ND2 3.15Å; Y826-M854 HydrophobicContact CD2-CG 3.67Å; Y826-M854 HydrophobicContact CE2-CG 4.37Å; Y826-M854 HydrophobicContact CG-CG 4.15Å
827L94.1Very high91.9Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-69.7-40.7179.3-68.5169.4000112.4M823 K824 Y825 A829 L830 M831 M854 F957 L960 F961 F964M823-L827 HydrophobicContact CG-CD1 3.88Å; M823-L827 HydrophobicContact CG-CG 4.39Å; M823-L827 VanDerWaalsContact O-CG 3.27Å; M823-L827 WeakPolarHBondContact O-CG 3.43Å; M823-L827 PolarHBondContact O-N 3.01Å; M823-L827 HydrophobicContact SD-CD1 4.48Å; K824-L827 PolarHBondContact O-N 3.16Å; Y825-L827 VanDerWaalsContact C-N 3.34Å; Y825-L827 PolarHBondContact O-N 3.26Å; L827-A829 VanDerWaalsContact C-N 3.33Å; L827-L830 PolarHBondContact O-N 2.96Å; L827-M831 VanDerWaalsContact O-CB 3.31Å; L827-M831 WeakPolarHBondContact O-CB 3.25Å; L827-M831 PolarHBondContact O-N 3.27Å; L827-M854 HydrophobicContact CD2-CE 3.85Å; L827-M854 HydrophobicContact CG-CE 4.39Å; L827-F957 HydrophobicContact CD2-CD1 4.3Å; L827-L960 HydrophobicContact CD1-CG 3.93Å; L827-L960 HydrophobicContact CD2-CB 4.45Å; L827-L960 HydrophobicContact CD2-CD2 3.66Å; L827-L960 HydrophobicContact CD2-CG 3.8Å; L827-F961 HydrophobicContact CB-CD2 3.91Å; L827-F964 HydrophobicContact CD1-CB 3.87Å; L827-F964 HydrophobicContact CD1-CD2 3.67Å; L827-F964 HydrophobicContact CD1-CG 4Å
828E93.6Very high91.6Very high46 Ų4639.1 Ų39.122%0.21521%0.208CC..Hα-helixtrans-61.4-41.2171.6-72.1177.2174.200111.4L806 K824 M831 A832 F961L806-E828 HydrophobicContact CD1-CB 4.06Å; L806-E828 HydrophobicContact CD2-CB 4.49Å; K824-E828 WeakPolarHBondContact CE-OE1 3.4Å; K824-E828 HydrophobicContact CG-CG 4.48Å; K824-E828 IonicContact NZ-OE1 2.76Å; K824-E828 WeakPolarHBondContact O-CG 3.35Å; K824-E828 PolarHBondContact O-N 2.64Å; E828-M831 PolarHBondContact O-N 2.88Å; E828-A832 VanDerWaalsContact O-CB 3.3Å; E828-A832 WeakPolarHBondContact O-CB 2.86Å; E828-A832 PolarHBondContact O-N 3.35Å; E828-F961 HydrophobicContact CG-CE2 3.9Å; E828-F961 HydrophobicContact CG-CZ 4.32Å
829A92.9Very high91.2Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-62.1-46.4175.800000112.1P803 L806 R807 Y825 Y826 L827 A832 K833 F845P803-A829 WeakPolarHBondContact O-CB 3.45Å; L806-A829 HydrophobicContact CB-CB 3.69Å; R807-A829 HydrophobicContact CB-CB 4.37Å; Y825-A829 VanDerWaalsContact O-CB 3.24Å; Y825-A829 WeakPolarHBondContact O-CB 3.47Å; Y825-A829 PolarHBondContact O-N 2.85Å; Y826-A829 WeakPolarHBondContact O-CB 3.45Å; Y826-A829 PolarHBondContact O-N 3.07Å; L827-A829 VanDerWaalsContact C-N 3.33Å; A829-A832 PolarHBondContact O-N 3.35Å; A829-K833 WeakPolarHBondContact O-CB 3.43Å; A829-K833 PolarHBondContact O-N 2.85Å; A829-F845 HydrophobicContact CB-CE1 4.18Å; A829-F845 HydrophobicContact CB-CZ 4.03Å
830L93.2Very high90.7Very high0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-66.4-40.2177.5-65.9171.3000111.6Y826 L827 K833 S834 F837 L841 F845 F846 M850 M854 F957Y826-L830 VanDerWaalsContact O-CG 3.26Å; Y826-L830 WeakPolarHBondContact O-CG 3.23Å; Y826-L830 PolarHBondContact O-N 3.34Å; L827-L830 PolarHBondContact O-N 2.96Å; L830-K833 PolarHBondContact O-N 3.09Å; L830-S834 VanDerWaalsContact O-CB 3.31Å; L830-S834 WeakPolarHBondContact O-CB 3.26Å; L830-S834 PolarHBondContact O-N 3.03Å; L830-S834 PolarHBondContact O-OG 2.9Å; L830-F837 HydrophobicContact CB-CE1 3.87Å; L830-F837 HydrophobicContact CB-CZ 4.43Å; L830-L841 HydrophobicContact CB-CD2 4.12Å; L830-L841 HydrophobicContact CD2-CD2 3.98Å; L830-F845 HydrophobicContact CD2-CD1 4.12Å; L830-F845 HydrophobicContact CD2-CE1 4.16Å; L830-F846 HydrophobicContact CD1-CD2 4.17Å; L830-F846 HydrophobicContact CD1-CE2 4.17Å; L830-F846 HydrophobicContact CD2-CB 3.81Å; L830-F846 HydrophobicContact CD2-CD2 3.73Å; L830-F846 HydrophobicContact CD2-CG 3.91Å; L830-M850 HydrophobicContact CD1-CE 3.98Å; L830-M850 HydrophobicContact CD2-CE 3.82Å; L830-M850 HydrophobicContact CD2-SD 4.16Å; L830-M850 HydrophobicContact CG-CE 3.62Å; L830-M854 HydrophobicContact CD1-CE 4.28Å; L830-M854 HydrophobicContact CD1-SD 4.1Å; L830-F957 HydrophobicContact CD1-CD1 4.28Å; L830-F957 HydrophobicContact CD1-CE1 3.89Å
831M92.5Very high90.2Very high46 Ų4643.3 Ų43.323%0.22723%0.226CC..Hα-helixtrans-61-48.8175.6172.6-179.1-78.700111.1L827 E828 K833 S834 L835 C836 F837 F961L827-M831 VanDerWaalsContact O-CB 3.31Å; L827-M831 WeakPolarHBondContact O-CB 3.25Å; L827-M831 PolarHBondContact O-N 3.27Å; E828-M831 PolarHBondContact O-N 2.88Å; M831-K833 VanDerWaalsContact C-N 3.3Å; M831-K833 PolarHBondContact O-N 3.07Å; M831-S834 PolarHBondContact O-N 3.43Å; M831-L835 PolarHBondContact O-N 3.35Å; M831-L835 VanDerWaalsContact O-N 3.14Å; M831-C836 HydrophobicContact CG-CB 4.49Å; M831-C836 PolarHBondContact O-N 3.17Å; M831-C836 VanDerWaalsContact O-N 3.07Å; M831-F837 HydrophobicContact CB-CE2 4.13Å; M831-F837 HydrophobicContact CB-CZ 3.97Å; M831-F837 HydrophobicContact CE-CE2 4.21Å; M831-F961 HydrophobicContact CB-CD2 4.35Å; M831-F961 HydrophobicContact CB-CE2 4.21Å; M831-F961 HydrophobicContact CE-CB 4.36Å; M831-F961 HydrophobicContact CE-CD1 3.39Å; M831-F961 HydrophobicContact CE-CD2 3.46Å; M831-F961 VanDerWaalsContact CE-CD2 3.46Å; M831-F961 HydrophobicContact CE-CE1 3.34Å; M831-F961 HydrophobicContact CE-CE2 3.43Å; M831-F961 VanDerWaalsContact CE-CE2 3.43Å; M831-F961 HydrophobicContact CE-CG 3.45Å; M831-F961 VanDerWaalsContact CE-CG 3.45Å; M831-F961 HydrophobicContact CE-CZ 3.37Å; M831-F961 HydrophobicContact SD-CD2 4.24Å; M831-F961 HydrophobicContact SD-CE1 4.09Å; M831-F961 HydrophobicContact SD-CE2 3.66Å; M831-F961 HydrophobicContact SD-CZ 3.57Å; M831-F961 VanDerWaalsContact SD-CZ 3.57Å
832A91.2Very high89.7Confident36 Ų3643.7 Ų43.730%0.29823%0.228SC..Hα-helixtrans-62.8-38.4179.700000111.7S801 P803 E828 A829S801-A832 WeakPolarHBondContact O-CB 3.22Å; P803-A832 HydrophobicContact CG-CB 4.04Å; E828-A832 VanDerWaalsContact O-CB 3.3Å; E828-A832 WeakPolarHBondContact O-CB 2.86Å; E828-A832 PolarHBondContact O-N 3.35Å; A829-A832 PolarHBondContact O-N 3.35Å
833K89.8Confident89.2Confident90 Ų9048.2 Ų48.239%0.39126%0.26SS..Hα-helixtrans-73-28.7178.7-170.361.8176.8-1790113.9P803 A829 L830 M831 F845P803-K833 HydrophobicContact CB-CB 4.1Å; P803-K833 HydrophobicContact CB-CD 4.44Å; P803-K833 HydrophobicContact CG-CB 4.21Å; P803-K833 HydrophobicContact CG-CD 4.32Å; A829-K833 WeakPolarHBondContact O-CB 3.43Å; A829-K833 PolarHBondContact O-N 2.85Å; L830-K833 PolarHBondContact O-N 3.09Å; M831-K833 VanDerWaalsContact C-N 3.3Å; M831-K833 PolarHBondContact O-N 3.07Å; K833-F845 HydrophobicContact CB-CD1 4.17Å; K833-F845 HydrophobicContact CB-CE1 4.2Å; K833-F845 HydrophobicContact CG-CB 4.38Å; K833-F845 HydrophobicContact CG-CD1 3.97Å; K833-F845 HydrophobicContact CG-CE1 4.44Å; K833-F845 HydrophobicContact CG-CG 4.05Å
834S88.2Confident88.6Confident2 Ų256.3 Ų56.31%0.01430%0.298CS..THydrogen-bonded Turntrans-108.79.5-172.663.40000115.4L830 M831 C836 F837 T838 E839L830-S834 VanDerWaalsContact O-CB 3.31Å; L830-S834 WeakPolarHBondContact O-CB 3.26Å; L830-S834 PolarHBondContact O-N 3.03Å; L830-S834 PolarHBondContact O-OG 2.9Å; M831-S834 PolarHBondContact O-N 3.43Å; S834-C836 PolarHBondContact O-N 3.34Å; S834-F837 PolarHBondContact O-N 3.46Å; S834-F837 WeakPolarHBondContact OG-CA 3.44Å; S834-F837 VanDerWaalsContact OG-CD1 3.32Å; S834-F837 WeakPolarHBondContact OG-CD1 3.42Å; S834-F837 PolarHBondContact OG-N 2.79Å; S834-T838 PolarHBondContact O-N 3Å; S834-T838 VanDerWaalsContact O-N 3.14Å; S834-T838 PolarHBondContact O-OG1 3.39Å; S834-E839 PolarHBondContact O-N 2.96Å; S834-E839 VanDerWaalsContact O-N 3.12Å
835L86.4Confident88.3Confident104 Ų10452.9 Ų52.955%0.54528%0.283SS..THydrogen-bonded Turntrans51.357.8-175.2-59175.1000111.6M831 F837 T838 E839M831-L835 PolarHBondContact O-N 3.35Å; M831-L835 VanDerWaalsContact O-N 3.14Å; L835-F837 PolarHBondContact O-N 2.87Å; L835-T838 WeakPolarHBondContact CB-OG1 3.25Å; L835-T838 WeakPolarHBondContact O-CG2 3.28Å; L835-T838 PolarHBondContact O-N 2.89Å; L835-T838 PolarHBondContact O-OG1 3.2Å; L835-E839 HydrophobicContact CD1-CG 4.41Å
836C86.4Confident88.1Confident67 Ų6752 Ų5245%0.45328%0.28SS..THydrogen-bonded Turntrans61.840.4-177.1-540000113.7M831 S834 T838 R958M831-C836 HydrophobicContact CG-CB 4.49Å; M831-C836 PolarHBondContact O-N 3.17Å; M831-C836 VanDerWaalsContact O-N 3.07Å; S834-C836 PolarHBondContact O-N 3.34Å; C836-T838 PolarHBondContact O-N 2.88Å; C836-R958 PolarHBondContact O-NE 2.74Å; C836-R958 VanDerWaalsContact O-NE 3.1Å; C836-R958 PolarHBondContact O-NH2 3.29Å; C836-R958 VanDerWaalsContact O-NH2 3.07Å
837F88.4Confident87.9Confident7 Ų754.1 Ų54.13%0.03129%0.291CS..THydrogen-bonded Turntrans60.128.5178.1-43.8-75000113.2L830 M831 S834 L835 L841 A954 F957 R958 F961L830-F837 HydrophobicContact CB-CE1 3.87Å; L830-F837 HydrophobicContact CB-CZ 4.43Å; M831-F837 HydrophobicContact CB-CE2 4.13Å; M831-F837 HydrophobicContact CB-CZ 3.97Å; M831-F837 HydrophobicContact CE-CE2 4.21Å; S834-F837 PolarHBondContact O-N 3.46Å; S834-F837 WeakPolarHBondContact OG-CA 3.44Å; S834-F837 VanDerWaalsContact OG-CD1 3.32Å; S834-F837 WeakPolarHBondContact OG-CD1 3.42Å; S834-F837 PolarHBondContact OG-N 2.79Å; L835-F837 PolarHBondContact O-N 2.87Å; F837-L841 HydrophobicContact CD1-CD2 4.3Å; F837-L841 HydrophobicContact CE1-CD2 4.47Å; F837-A954 HydrophobicContact CB-CB 4.21Å; F837-A954 VanDerWaalsContact O-CB 3.29Å; F837-A954 WeakPolarHBondContact O-CB 3.46Å; F837-F957 HydrophobicContact CD1-CB 3.55Å; F837-F957 HydrophobicContact CD1-CG 4.14Å; F837-F957 HydrophobicContact CD2-CB 4.1Å; F837-F957 HydrophobicContact CE1-CB 3.51Å; F837-F957 HydrophobicContact CE1-CD1 4.22Å; F837-F957 AromaticContact CE1-CG 3.98Å; F837-F957 HydrophobicContact CE1-CG 3.98Å; F837-F957 HydrophobicContact CE2-CB 4.06Å; F837-F957 HydrophobicContact CG-CB 3.85Å; F837-F957 HydrophobicContact CZ-CB 3.77Å; F837-R958 HydrophobicContact CB-CG 4.47Å; F837-R958 HydrophobicContact CD2-CG 3.68Å; F837-R958 HydrophobicContact CE2-CG 4.46Å; F837-R958 HydrophobicContact CG-CG 4.48Å; F837-R958 PolarHBondContact O-NH2 3.36Å; F837-R958 VanDerWaalsContact O-NH2 3.13Å; F837-F961 HydrophobicContact CE2-CB 4.28Å
838T84.5Confident87.7Confident91 Ų9160.6 Ų60.656%0.55832%0.32SS*.THydrogen-bonded Turntrans-82.3-33.4171.454.10000110.7S834 L835 C836S834-T838 PolarHBondContact O-N 3Å; S834-T838 VanDerWaalsContact O-N 3.14Å; S834-T838 PolarHBondContact O-OG1 3.39Å; L835-T838 WeakPolarHBondContact CB-OG1 3.25Å; L835-T838 WeakPolarHBondContact O-CG2 3.28Å; L835-T838 PolarHBondContact O-N 2.89Å; L835-T838 PolarHBondContact O-OG1 3.2Å; C836-T838 PolarHBondContact O-N 2.88Å
839E84.3Confident87.5Confident116 Ų11660.2 Ų60.254%0.54232%0.322SS..SBendtrans-96.4158.8173.1-61.6-173.3167.300111.7S834 L835S834-E839 PolarHBondContact O-N 2.96Å; S834-E839 VanDerWaalsContact O-N 3.12Å; L835-E839 HydrophobicContact CD1-CG 4.41Å
840E82.3Confident87.5Confident126 Ų12660.2 Ų60.259%0.58932%0.322SS*.PPolyproline II helixtrans-69.1140.2176.5-70.6-174177.500111.6S842 R950E840-S842 PolarHBondContact O-N 3.04Å; E840-R950 HydrophobicContact CG-CG 4.23Å; E840-R950 IonicContact OE1-CZ 3.45Å; E840-R950 IonicContact OE1-NE 2.83Å; E840-R950 PolarHBondContact OE1-NE 3.37Å; E840-R950 IonicContact OE1-NH2 3.72Å; E840-R950 PolarHBondContact OE1-NH2 3.32Å
841L83.7Confident87.5Confident26 Ų2660.4 Ų60.414%0.13632%0.323CS..PPolyproline II helixtrans-67.1116.2174.3-64.6174.5000109.7L830 F837 S843 F846 F957L830-L841 HydrophobicContact CB-CD2 4.12Å; L830-L841 HydrophobicContact CD2-CD2 3.98Å; F837-L841 HydrophobicContact CD1-CD2 4.3Å; F837-L841 HydrophobicContact CE1-CD2 4.47Å; L841-S843 PolarHBondContact O-N 2.93Å; L841-F846 HydrophobicContact CB-CB 4.36Å; L841-F846 HydrophobicContact CB-CD1 4.44Å; L841-F846 HydrophobicContact CD1-CD1 4.06Å; L841-F846 HydrophobicContact CD1-CE1 4.37Å; L841-F957 HydrophobicContact CD1-CD2 3.84Å; L841-F957 HydrophobicContact CD1-CE1 4.27Å; L841-F957 HydrophobicContact CD1-CE2 3.47Å; L841-F957 VanDerWaalsContact CD1-CE2 3.47Å; L841-F957 HydrophobicContact CD1-CG 4.41Å; L841-F957 HydrophobicContact CD1-CZ 3.7Å
842S82.7Confident87.5Confident44 Ų4461.4 Ų61.431%0.30833%0.329SS..PPolyproline II helixtrans-59.9130.2175.31220000110.1E840 E844 F845 F846E840-S842 PolarHBondContact O-N 3.04Å; S842-E844 PolarHBondContact O-N 2.9Å; S842-E844 PolarHBondContact OG-N 3.12Å; S842-F845 PolarHBondContact O-N 3.28Å; S842-F845 PolarHBondContact OG-N 3.43Å; S842-F845 VanDerWaalsContact OG-N 3.13Å; S842-F846 PolarHBondContact O-N 3.42Å
843S82.2Confident87.6Confident95 Ų9560.5 Ų60.566%0.66432%0.319SS*.THydrogen-bonded Turntrans-66.8-19.7177.450.90000113.1L841L841-S843 PolarHBondContact O-N 2.93Å
844E82.6Confident87.8Confident170 Ų17056.2 Ų56.279%0.79430%0.301SS*.THydrogen-bonded Turntrans-72.4-37.7173.9-61.8179.6170.200111.7S842S842-E844 PolarHBondContact O-N 2.9Å; S842-E844 PolarHBondContact OG-N 3.12Å
845F87.1Confident88Confident6 Ų656.5 Ų56.53%0.02630%0.302CS..THydrogen-bonded Turntrans-88.7-44.4-179.9-174-95.9000112.3P803 F804 R807 A829 L830 K833 S842 D847P803-F845 HydrophobicContact CB-CE1 4.44Å; P803-F845 HydrophobicContact CB-CE2 3.91Å; P803-F845 HydrophobicContact CB-CZ 3.68Å; P803-F845 WeakPolarHBondContact O-CZ 3.49Å; F804-F845 HydrophobicContact CD1-CD2 4.12Å; F804-F845 AromaticContact CD1-CE2 3.79Å; F804-F845 HydrophobicContact CD1-CE2 3.79Å; F804-F845 HydrophobicContact CD2-CE2 4.49Å; F804-F845 AromaticContact CE1-CD2 3.71Å; F804-F845 HydrophobicContact CE1-CD2 3.71Å; F804-F845 AromaticContact CE1-CE2 3.88Å; F804-F845 HydrophobicContact CE1-CE2 3.88Å; F804-F845 HydrophobicContact CG-CE2 4.11Å; F804-F845 AromaticContact CZ-CD2 3.93Å; F804-F845 HydrophobicContact CZ-CD2 3.93Å; F804-F845 HydrophobicContact CZ-CE2 4.28Å; R807-F845 HydrophobicContact CB-CZ 4.09Å; R807-F845 PolarHBondContact NH1-O 3Å; A829-F845 HydrophobicContact CB-CE1 4.18Å; A829-F845 HydrophobicContact CB-CZ 4.03Å; L830-F845 HydrophobicContact CD2-CD1 4.12Å; L830-F845 HydrophobicContact CD2-CE1 4.16Å; K833-F845 HydrophobicContact CB-CD1 4.17Å; K833-F845 HydrophobicContact CB-CE1 4.2Å; K833-F845 HydrophobicContact CG-CB 4.38Å; K833-F845 HydrophobicContact CG-CD1 3.97Å; K833-F845 HydrophobicContact CG-CE1 4.44Å; K833-F845 HydrophobicContact CG-CG 4.05Å; S842-F845 PolarHBondContact O-N 3.28Å; S842-F845 PolarHBondContact OG-N 3.43Å; S842-F845 VanDerWaalsContact OG-N 3.13Å; F845-D847 PolarHBondContact O-N 3.49Å
846F90.5Very high88.3Confident19 Ų1957.3 Ų57.38%0.08330%0.301CS..SBendtrans-95.273.2175.1-174.5-129.1000110L830 L841 S842 M850 L851 M854 C873 F957L830-F846 HydrophobicContact CD1-CD2 4.17Å; L830-F846 HydrophobicContact CD1-CE2 4.17Å; L830-F846 HydrophobicContact CD2-CB 3.81Å; L830-F846 HydrophobicContact CD2-CD2 3.73Å; L830-F846 HydrophobicContact CD2-CG 3.91Å; L841-F846 HydrophobicContact CB-CB 4.36Å; L841-F846 HydrophobicContact CB-CD1 4.44Å; L841-F846 HydrophobicContact CD1-CD1 4.06Å; L841-F846 HydrophobicContact CD1-CE1 4.37Å; S842-F846 PolarHBondContact O-N 3.42Å; F846-M850 HydrophobicContact CD2-CB 4.43Å; F846-M850 HydrophobicContact CD2-CG 4.2Å; F846-M850 HydrophobicContact CD2-SD 3.97Å; F846-M850 HydrophobicContact CE2-CG 4.47Å; F846-L851 HydrophobicContact CE2-CB 4.11Å; F846-L851 HydrophobicContact CE2-CD1 4.43Å; F846-L851 HydrophobicContact CZ-CB 4.11Å; F846-L851 HydrophobicContact CZ-CD1 3.82Å; F846-L851 HydrophobicContact CZ-CG 4.41Å; F846-M854 HydrophobicContact CE2-SD 3.74Å; F846-M854 HydrophobicContact CZ-SD 4.41Å; F846-C873 HydrophobicContact CE1-CB 3.91Å; F846-C873 HydrophobicContact CZ-CB 4.26Å; F846-F957 AromaticContact CE1-CZ 3.93Å; F846-F957 HydrophobicContact CE1-CZ 3.93Å; F846-F957 HydrophobicContact CZ-CE1 4.41Å; F846-F957 AromaticContact CZ-CZ 3.94Å; F846-F957 HydrophobicContact CZ-CZ 3.94Å
847D89.8Confident88.6Confident45 Ų4554.1 Ų54.124%0.24128%0.28CS..  trans-83.6176.3-17863.434.8000112.8R807 F845 S849 M850 L851R807-D847 IonicContact CZ-OD1 2.87Å; R807-D847 IonicContact CZ-OD2 3.71Å; R807-D847 VanDerWaalsContact CZ-OD2 3.28Å; R807-D847 IonicContact NH1-OD1 2.68Å; R807-D847 IonicContact NH1-OD2 2.78Å; R807-D847 PolarHBondContact NH1-OD2 3.32Å; R807-D847 VanDerWaalsContact NH2-CG 3.32Å; R807-D847 IonicContact NH2-OD1 3.06Å; R807-D847 PolarHBondContact NH2-OD1 3.21Å; R807-D847 IonicContact NH2-OD2 2.77Å; R807-D847 PolarHBondContact NH2-OD2 3.17Å; F845-D847 PolarHBondContact O-N 3.49Å; D847-S849 PolarHBondContact O-N 3.24Å; D847-S849 WeakPolarHBondContact OD1-CA 3.31Å; D847-S849 VanDerWaalsContact OD1-CB 3.27Å; D847-S849 WeakPolarHBondContact OD1-CB 3.48Å; D847-S849 PolarHBondContact OD1-N 3.14Å; D847-M850 PolarHBondContact O-N 3.33Å; D847-M850 PolarHBondContact OD1-N 3.4Å; D847-L851 PolarHBondContact O-N 2.79Å; D847-L851 VanDerWaalsContact O-N 3.11Å
848K89.9Confident88.8Confident137 Ų13753.8 Ų53.860%0.59628%0.278SS*.Hα-helixtrans-62-27.6177.4-66.5-177180-179.50112.7N852K848-N852 VanDerWaalsContact O-CB 3.3Å; K848-N852 WeakPolarHBondContact O-CB 3.5Å; K848-N852 PolarHBondContact O-N 3.44Å; K848-N852 PolarHBondContact O-ND2 3.22Å
849S89Confident89.2Confident38 Ų3852.7 Ų52.727%0.26627%0.269SS..Hα-helixtrans-71.2-50.9-178.9-1720000110.4D847 L851 N852 N853D847-S849 PolarHBondContact O-N 3.24Å; D847-S849 WeakPolarHBondContact OD1-CA 3.31Å; D847-S849 VanDerWaalsContact OD1-CB 3.27Å; D847-S849 WeakPolarHBondContact OD1-CB 3.48Å; D847-S849 PolarHBondContact OD1-N 3.14Å; S849-L851 VanDerWaalsContact C-N 3.33Å; S849-L851 PolarHBondContact O-N 2.84Å; S849-N852 PolarHBondContact O-N 2.89Å; S849-N853 WeakPolarHBondContact O-CB 3.35Å; S849-N853 PolarHBondContact O-N 3.44Å
850M92.3Very high89.5Confident0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-60-43.1175.8-174176178.800111.4R807 Y826 L830 F846 D847 N853 M854R807-M850 HydrophobicContact CG-SD 4.41Å; Y826-M850 HydrophobicContact CD1-CE 3.66Å; Y826-M850 HydrophobicContact CD1-CG 4.18Å; Y826-M850 HydrophobicContact CE1-CG 4.4Å; Y826-M850 HydrophobicContact CG-CE 3.88Å; Y826-M850 WeakPolarHBondContact O-CE 3.08Å; L830-M850 HydrophobicContact CD1-CE 3.98Å; L830-M850 HydrophobicContact CD2-CE 3.82Å; L830-M850 HydrophobicContact CD2-SD 4.16Å; L830-M850 HydrophobicContact CG-CE 3.62Å; F846-M850 HydrophobicContact CD2-CB 4.43Å; F846-M850 HydrophobicContact CD2-CG 4.2Å; F846-M850 HydrophobicContact CD2-SD 3.97Å; F846-M850 HydrophobicContact CE2-CG 4.47Å; D847-M850 PolarHBondContact O-N 3.33Å; D847-M850 PolarHBondContact OD1-N 3.4Å; M850-N853 WeakPolarHBondContact O-CB 3.42Å; M850-N853 PolarHBondContact O-N 3.5Å; M850-M854 WeakPolarHBondContact O-CG 3.35Å; M850-M854 PolarHBondContact O-N 3.06Å
851L93.1Very high90Very high4 Ų448.7 Ų48.72%0.02125%0.249CC..Hα-helixtrans-62.6-43.9176.3177.357.3000112.3F846 D847 S849 N853 M854 I855 L870 C873 F874F846-L851 HydrophobicContact CE2-CB 4.11Å; F846-L851 HydrophobicContact CE2-CD1 4.43Å; F846-L851 HydrophobicContact CZ-CB 4.11Å; F846-L851 HydrophobicContact CZ-CD1 3.82Å; F846-L851 HydrophobicContact CZ-CG 4.41Å; D847-L851 PolarHBondContact O-N 2.79Å; D847-L851 VanDerWaalsContact O-N 3.11Å; S849-L851 VanDerWaalsContact C-N 3.33Å; S849-L851 PolarHBondContact O-N 2.84Å; L851-N853 VanDerWaalsContact C-N 3.3Å; L851-N853 PolarHBondContact O-N 2.85Å; L851-M854 PolarHBondContact O-N 3.2Å; L851-I855 HydrophobicContact CD1-CD1 3.99Å; L851-I855 HydrophobicContact CD1-CG1 4.31Å; L851-I855 HydrophobicContact CG-CD1 4.02Å; L851-I855 WeakPolarHBondContact O-CG1 3.46Å; L851-I855 PolarHBondContact O-N 3.31Å; L851-L870 HydrophobicContact CD1-CB 4.01Å; L851-L870 HydrophobicContact CD1-CD2 4.11Å; L851-L870 WeakPolarHBondContact CD1-O 3.39Å; L851-C873 HydrophobicContact CD1-CB 3.96Å; L851-C873 HydrophobicContact CD2-CB 3.77Å; L851-F874 HydrophobicContact CD2-CB 4.4Å; L851-F874 HydrophobicContact CD2-CD1 3.55Å; L851-F874 HydrophobicContact CD2-CD2 3.81Å; L851-F874 HydrophobicContact CD2-CE1 3.61Å; L851-F874 HydrophobicContact CD2-CE2 3.88Å; L851-F874 HydrophobicContact CD2-CG 3.64Å; L851-F874 HydrophobicContact CD2-CZ 3.77Å; L851-F874 HydrophobicContact CG-CD1 4.45Å; L851-F874 HydrophobicContact CG-CE1 4.02Å; L851-F874 HydrophobicContact CG-CE2 4.18Å; L851-F874 HydrophobicContact CG-CZ 3.86Å
852N92.9Very high90.3Very high67 Ų6753.4 Ų53.436%0.35826%0.264SS..Hα-helixtrans-61.8-38.4174.7-79.1-33.4000111.9K848 S849 I855 K856 F874K848-N852 VanDerWaalsContact O-CB 3.3Å; K848-N852 WeakPolarHBondContact O-CB 3.5Å; K848-N852 PolarHBondContact O-N 3.44Å; K848-N852 PolarHBondContact O-ND2 3.22Å; S849-N852 PolarHBondContact O-N 2.89Å; N852-I855 PolarHBondContact O-N 3.03Å; N852-K856 WeakPolarHBondContact O-CB 3.21Å; N852-K856 VanDerWaalsContact O-CG 3.31Å; N852-K856 WeakPolarHBondContact O-CG 3.28Å; N852-K856 PolarHBondContact O-N 3.43Å; N852-F874 VanDerWaalsContact OD1-CZ 3.3Å; N852-F874 WeakPolarHBondContact OD1-CZ 3.39Å
853N92.5Very high90.7Very high17 Ų1753 Ų539%0.09126%0.256CS..Hα-helixtrans-65.7-44.6176.3-75.9-7.4000111.6D811 L814 Y826 S849 M850 L851 I855 K856 C857D811-N853 PolarHBondContact OD1-ND2 3.35Å; L814-N853 HydrophobicContact CD2-CB 3.55Å; Y826-N853 HydrophobicContact CE2-CB 3.97Å; Y826-N853 WeakPolarHBondContact OH-CB 3.3Å; Y826-N853 PolarHBondContact OH-ND2 3.15Å; S849-N853 WeakPolarHBondContact O-CB 3.35Å; S849-N853 PolarHBondContact O-N 3.44Å; M850-N853 WeakPolarHBondContact O-CB 3.42Å; M850-N853 PolarHBondContact O-N 3.5Å; L851-N853 VanDerWaalsContact C-N 3.3Å; L851-N853 PolarHBondContact O-N 2.85Å; N853-I855 VanDerWaalsContact C-N 3.34Å; N853-I855 PolarHBondContact O-N 2.97Å; N853-K856 WeakPolarHBondContact O-CB 3.35Å; N853-K856 PolarHBondContact O-N 3Å; N853-C857 PolarHBondContact O-N 2.84Å; N853-C857 PolarHBondContact O-SG 3.08Å
854M94.1Very high91.1Very high0 Ų049.2 Ų49.20%023%0.228CC..Hα-helixtrans-60.6-42.8173.2-69.8178.575.500111.8M823 Y826 L827 L830 F846 M850 L851 C857 S858 L870 F957 L960M823-M854 HydrophobicContact CE-CB 4.22Å; M823-M854 VanDerWaalsContact CE-O 3.29Å; M823-M854 WeakPolarHBondContact CE-O 3.22Å; M823-M854 HydrophobicContact SD-CB 4.08Å; M823-M854 HydrophobicContact SD-CE 3.57Å; M823-M854 VanDerWaalsContact SD-CE 3.57Å; M823-M854 HydrophobicContact SD-CG 3.97Å; Y826-M854 HydrophobicContact CD2-CG 3.67Å; Y826-M854 HydrophobicContact CE2-CG 4.37Å; Y826-M854 HydrophobicContact CG-CG 4.15Å; L827-M854 HydrophobicContact CD2-CE 3.85Å; L827-M854 HydrophobicContact CG-CE 4.39Å; L830-M854 HydrophobicContact CD1-CE 4.28Å; L830-M854 HydrophobicContact CD1-SD 4.1Å; F846-M854 HydrophobicContact CE2-SD 3.74Å; F846-M854 HydrophobicContact CZ-SD 4.41Å; M850-M854 WeakPolarHBondContact O-CG 3.35Å; M850-M854 PolarHBondContact O-N 3.06Å; L851-M854 PolarHBondContact O-N 3.2Å; M854-C857 WeakPolarHBondContact O-CB 3.49Å; M854-C857 PolarHBondContact O-N 3.24Å; M854-S858 PolarHBondContact O-N 3.45Å; M854-S858 PolarHBondContact O-OG 3.4Å; M854-L870 HydrophobicContact CB-CD1 4.07Å; M854-L870 HydrophobicContact CE-CD2 4.16Å; M854-F957 HydrophobicContact CE-CE1 4.45Å; M854-L960 HydrophobicContact CE-CD2 4.25Å
855I93.5Very high91.4Very high8 Ų841.2 Ų41.24%0.04119%0.191CC..Hα-helixtrans-62.7-43.1175.8-73.8165.6000111.3L851 N852 N853 C857 S858 N859 E867 L870 F874 L881L851-I855 HydrophobicContact CD1-CD1 3.99Å; L851-I855 HydrophobicContact CD1-CG1 4.31Å; L851-I855 HydrophobicContact CG-CD1 4.02Å; L851-I855 WeakPolarHBondContact O-CG1 3.46Å; L851-I855 PolarHBondContact O-N 3.31Å; N852-I855 PolarHBondContact O-N 3.03Å; N853-I855 VanDerWaalsContact C-N 3.34Å; N853-I855 PolarHBondContact O-N 2.97Å; I855-C857 VanDerWaalsContact C-N 3.33Å; I855-C857 PolarHBondContact O-N 2.85Å; I855-S858 PolarHBondContact O-N 3.49Å; I855-N859 WeakPolarHBondContact O-CB 3.26Å; I855-N859 PolarHBondContact O-N 3.12Å; I855-E867 HydrophobicContact CG2-CG 3.98Å; I855-L870 HydrophobicContact CD1-CB 4.23Å; I855-L870 HydrophobicContact CG1-CB 3.7Å; I855-L870 HydrophobicContact CG1-CD1 4.13Å; I855-F874 HydrophobicContact CD1-CE2 3.37Å; I855-F874 HydrophobicContact CD1-CZ 3.62Å; I855-L881 HydrophobicContact CD1-CD2 4.4Å; I855-L881 HydrophobicContact CG2-CD2 3.95Å
856K92.4Very high91.6Very high121 Ų12141 Ų4153%0.52619%0.19SC..Hα-helixtrans-58.8-44173.3-76172.3-178.4174.80111.5N852 N853 N859 K860N852-K856 WeakPolarHBondContact O-CB 3.21Å; N852-K856 VanDerWaalsContact O-CG 3.31Å; N852-K856 WeakPolarHBondContact O-CG 3.28Å; N852-K856 PolarHBondContact O-N 3.43Å; N853-K856 WeakPolarHBondContact O-CB 3.35Å; N853-K856 PolarHBondContact O-N 3Å; K856-N859 PolarHBondContact O-N 3.19Å; K856-K860 WeakPolarHBondContact O-CB 3.5Å; K856-K860 VanDerWaalsContact O-CG 3.27Å; K856-K860 WeakPolarHBondContact O-CG 3.43Å; K856-K860 PolarHBondContact O-N 2.49Å
857C93.6Very high91.7Very high0 Ų040.5 Ų40.50%019%0.188CC..Hα-helixtrans-57.8-50.3174.3-68.20000111.2M823 N853 M854 I855 N859 K860 L861M823-C857 HydrophobicContact CE-CB 3.92Å; N853-C857 PolarHBondContact O-N 2.84Å; N853-C857 PolarHBondContact O-SG 3.08Å; M854-C857 WeakPolarHBondContact O-CB 3.49Å; M854-C857 PolarHBondContact O-N 3.24Å; I855-C857 VanDerWaalsContact C-N 3.33Å; I855-C857 PolarHBondContact O-N 2.85Å; C857-N859 PolarHBondContact O-N 2.97Å; C857-K860 PolarHBondContact O-N 3.16Å; C857-L861 WeakPolarHBondContact O-CB 3.29Å; C857-L861 VanDerWaalsContact O-CG 3.25Å; C857-L861 WeakPolarHBondContact O-CG 3.48Å; C857-L861 PolarHBondContact O-N 3.16Å
858S92.3Very high91.7Very high0 Ų038.4 Ų38.40%018%0.177CC..Hα-helixtrans-59.3-44.3178.9-63.50000112.2M823 M854 I855 L861 R862 Y863M823-S858 WeakPolarHBondContact CE-OG 3.39Å; M854-S858 PolarHBondContact O-N 3.45Å; M854-S858 PolarHBondContact O-OG 3.4Å; I855-S858 PolarHBondContact O-N 3.49Å; S858-L861 CarbonylContact O-C 3.58Å; S858-L861 PolarHBondContact O-N 2.97Å; S858-R862 PolarHBondContact O-N 3.2Å; S858-Y863 PolarHBondContact O-N 3.26Å
859N91.8Very high91.8Very high67 Ų6731.9 Ų31.936%0.35815%0.149SC..Hα-helixtrans-63-44.7178.7-173.7-95.1000111.9I855 K856 C857 L861 R862 E867I855-N859 WeakPolarHBondContact O-CB 3.26Å; I855-N859 PolarHBondContact O-N 3.12Å; K856-N859 PolarHBondContact O-N 3.19Å; C857-N859 PolarHBondContact O-N 2.97Å; N859-L861 VanDerWaalsContact C-N 3.32Å; N859-L861 PolarHBondContact O-N 3.03Å; N859-R862 PolarHBondContact O-N 3.07Å; N859-R862 VanDerWaalsContact O-N 3.1Å; N859-E867 PolarHBondContact ND2-OE1 3.4Å; N859-E867 PolarHBondContact ND2-OE2 3.17Å
860K91.9Very high92Very high133 Ų13330.1 Ų30.158%0.57814%0.136SC*.Hα-helixtrans-67.8-30.6178.4-69.2-70.5-174.1179.10113.2Y819 K856 C857 R862Y819-K860 HydrophobicContact CD1-CB 3.94Å; Y819-K860 HydrophobicContact CD1-CG 4.16Å; Y819-K860 HydrophobicContact CD2-CB 3.71Å; Y819-K860 HydrophobicContact CD2-CG 4.46Å; Y819-K860 HydrophobicContact CE1-CB 3.92Å; Y819-K860 HydrophobicContact CE1-CG 3.69Å; Y819-K860 HydrophobicContact CE2-CB 3.71Å; Y819-K860 HydrophobicContact CE2-CD 4.41Å; Y819-K860 HydrophobicContact CE2-CG 4.05Å; Y819-K860 HydrophobicContact CG-CB 3.84Å; K856-K860 WeakPolarHBondContact O-CB 3.5Å; K856-K860 VanDerWaalsContact O-CG 3.27Å; K856-K860 WeakPolarHBondContact O-CG 3.43Å; K856-K860 PolarHBondContact O-N 2.49Å; C857-K860 PolarHBondContact O-N 3.16Å; K860-R862 VanDerWaalsContact C-N 3.3Å
861L91.9Very high92Very high25 Ų2530.1 Ų30.113%0.13114%0.136CC..THydrogen-bonded Turntrans-83.4-3.2173.7-65.6170000113.5N820 C857 S858 N859 Y863 F964N820-L861 WeakPolarHBondContact ND2-CD2 2.89Å; N820-L861 WeakPolarHBondContact OD1-CD1 3.32Å; C857-L861 WeakPolarHBondContact O-CB 3.29Å; C857-L861 VanDerWaalsContact O-CG 3.25Å; C857-L861 WeakPolarHBondContact O-CG 3.48Å; C857-L861 PolarHBondContact O-N 3.16Å; S858-L861 CarbonylContact O-C 3.58Å; S858-L861 PolarHBondContact O-N 2.97Å; N859-L861 VanDerWaalsContact C-N 3.32Å; N859-L861 PolarHBondContact O-N 3.03Å; L861-Y863 VanDerWaalsContact C-N 3.3Å; L861-Y863 HydrophobicContact CB-CD1 4.4Å; L861-Y863 HydrophobicContact CB-CD2 3.6Å; L861-Y863 HydrophobicContact CB-CE1 4.41Å; L861-Y863 HydrophobicContact CB-CE2 3.63Å; L861-Y863 HydrophobicContact CB-CG 4.02Å; L861-Y863 HydrophobicContact CD1-CD2 4Å; L861-Y863 HydrophobicContact CD1-CE2 3.7Å; L861-Y863 HydrophobicContact CG-CD2 4.45Å; L861-Y863 HydrophobicContact CG-CE2 4.22Å; L861-Y863 WeakPolarHBondContact O-CD1 3.45Å; L861-Y863 PolarHBondContact O-N 2.91Å; L861-F964 HydrophobicContact CD1-CE1 4Å; L861-F964 HydrophobicContact CD1-CZ 4.31Å
862R90.3Very high92Very high125 Ų12530.1 Ų30.147%0.47214%0.136SC..THydrogen-bonded Turntrans6232.8-175.4-54.4-179.8175.4178.6-2.8113.9S858 N859 K860 H864 C891 W892S858-R862 PolarHBondContact O-N 3.2Å; N859-R862 PolarHBondContact O-N 3.07Å; N859-R862 VanDerWaalsContact O-N 3.1Å; K860-R862 VanDerWaalsContact C-N 3.3Å; R862-H864 PolarHBondContact O-N 3.13Å; R862-C891 CarbonylContact O-C 3.58Å; R862-C891 WeakPolarHBondContact O-CA 3.32Å; R862-W892 HydrophobicContact CB-CB 4.45Å; R862-W892 HydrophobicContact CB-CG 4.11Å; R862-W892 PolarHBondContact O-N 3.31Å
863Y91.7Very high91.9Very high35 Ų3527.5 Ų27.514%0.13712%0.123CC..  trans-9568.1174.2-59.5-24.2000110.3S858 L861 L866 E867 W892 D893 F963 F964S858-Y863 PolarHBondContact O-N 3.26Å; L861-Y863 VanDerWaalsContact C-N 3.3Å; L861-Y863 HydrophobicContact CB-CD1 4.4Å; L861-Y863 HydrophobicContact CB-CD2 3.6Å; L861-Y863 HydrophobicContact CB-CE1 4.41Å; L861-Y863 HydrophobicContact CB-CE2 3.63Å; L861-Y863 HydrophobicContact CB-CG 4.02Å; L861-Y863 HydrophobicContact CD1-CD2 4Å; L861-Y863 HydrophobicContact CD1-CE2 3.7Å; L861-Y863 HydrophobicContact CG-CD2 4.45Å; L861-Y863 HydrophobicContact CG-CE2 4.22Å; L861-Y863 WeakPolarHBondContact O-CD1 3.45Å; L861-Y863 PolarHBondContact O-N 2.91Å; Y863-L866 HydrophobicContact CD2-CD1 4.15Å; Y863-L866 HydrophobicContact CG-CD1 4.28Å; Y863-L866 PolarHBondContact O-N 3.24Å; Y863-E867 PolarHBondContact O-N 3.05Å; Y863-W892 HydrophobicContact CD1-CB 3.92Å; Y863-W892 HydrophobicContact CE1-CB 3.76Å; Y863-W892 WeakPolarHBondContact CE1-O 3.3Å; Y863-D893 VanDerWaalsContact C-OD2 3.22Å; Y863-D893 WeakPolarHBondContact CA-OD2 3.43Å; Y863-D893 HydrophobicContact CD1-CB 3.77Å; Y863-D893 HydrophobicContact CG-CB 3.96Å; Y863-F963 HydrophobicContact CD2-CE1 4.23Å; Y863-F963 HydrophobicContact CE1-CE1 4.46Å; Y863-F963 HydrophobicContact CE1-CZ 4.35Å; Y863-F963 AromaticContact CE2-CE1 3.78Å; Y863-F963 HydrophobicContact CE2-CE1 3.78Å; Y863-F963 HydrophobicContact CE2-CZ 4.44Å; Y863-F963 AromaticContact CZ-CE1 3.92Å; Y863-F964 HydrophobicContact CD2-CE1 4.37Å; Y863-F964 AromaticContact CD2-CZ 3.66Å; Y863-F964 HydrophobicContact CD2-CZ 3.66Å; Y863-F964 AromaticContact CE2-CE1 3.8Å; Y863-F964 HydrophobicContact CE2-CE1 3.8Å; Y863-F964 AromaticContact CE2-CZ 3.51Å; Y863-F964 HydrophobicContact CE2-CZ 3.51Å
864H90Very high91.7Very high16 Ų1627.6 Ų27.67%0.07412%0.123CC..Hα-helixtrans-74-23.8-172.3-59.6-61.2000114R862 E867 T868 A885 E888 C890 C891 D893R862-H864 PolarHBondContact O-N 3.13Å; H864-E867 IonicContact CE1-OE2 3.95Å; H864-E867 IonicContact ND1-OE2 3.76Å; H864-E867 PolarHBondContact ND1-OE2 3.43Å; H864-E867 VanDerWaalsContact ND1-OE2 3.09Å; H864-T868 WeakPolarHBondContact O-CB 3.39Å; H864-T868 PolarHBondContact O-N 2.98Å; H864-T868 PolarHBondContact O-OG1 3.04Å; H864-A885 HydrophobicContact CB-CB 4.48Å; H864-A885 WeakPolarHBondContact CB-O 3.35Å; H864-E888 HydrophobicContact CB-CB 4.13Å; H864-E888 VanDerWaalsContact CD2-CB 3.42Å; H864-E888 WeakPolarHBondContact CD2-CB 3.44Å; H864-C890 PolarHBondContact CD2-O 3.43Å; H864-C890 VanDerWaalsContact CD2-O 3.3Å; H864-C891 PolarHBondContact N-SG 3.41Å; H864-D893 PolarHBondContact N-OD2 3.14Å
865T88.9Confident91.2Very high3 Ų333.8 Ų33.82%0.01816%0.156CC..Hα-helixtrans-66.6-46.9169.7-44.60000109E867 T868 M869 C891 D893 F898 Y899T865-E867 VanDerWaalsContact C-N 3.34Å; T865-E867 PolarHBondContact O-N 3.36Å; T865-T868 WeakPolarHBondContact O-CB 3.38Å; T865-T868 PolarHBondContact O-N 3.12Å; T865-T868 VanDerWaalsContact O-N 3.16Å; T865-M869 VanDerWaalsContact O-CG 3.29Å; T865-M869 WeakPolarHBondContact O-CG 3.22Å; T865-M869 PolarHBondContact O-N 2.89Å; T865-C891 PolarHBondContact N-SG 3.11Å; T865-C891 VanDerWaalsContact N-SG 3.38Å; T865-C891 PolarHBondContact OG1-SG 3.28Å; T865-D893 VanDerWaalsContact CA-OD2 3.28Å; T865-D893 WeakPolarHBondContact CA-OD2 3.25Å; T865-D893 WeakPolarHBondContact CB-OD1 3.42Å; T865-D893 WeakPolarHBondContact CB-OD2 3.3Å; T865-D893 PolarHBondContact N-OD2 3.44Å; T865-D893 PolarHBondContact OG1-OD1 3.07Å; T865-D893 PolarHBondContact OG1-OD2 2.83Å; T865-F898 HydrophobicContact CG2-CB 3.87Å; T865-Y899 HydrophobicContact CG2-CD1 4.21Å; T865-Y899 HydrophobicContact CG2-CD2 3.92Å; T865-Y899 HydrophobicContact CG2-CE1 3.92Å; T865-Y899 HydrophobicContact CG2-CE2 3.6Å; T865-Y899 HydrophobicContact CG2-CG 4.2Å
866L91.8Very high90.8Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-62.5-39.6175.8-65.5-176.9000112.7Y863 T868 M869 L870 D893 F898 F956 L960 F963 F964Y863-L866 HydrophobicContact CD2-CD1 4.15Å; Y863-L866 HydrophobicContact CG-CD1 4.28Å; Y863-L866 PolarHBondContact O-N 3.24Å; L866-T868 VanDerWaalsContact C-N 3.34Å; L866-T868 PolarHBondContact O-N 3.38Å; L866-M869 PolarHBondContact O-N 3.06Å; L866-L870 WeakPolarHBondContact O-CB 3.34Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.49Å; L866-L870 PolarHBondContact O-N 2.99Å; L866-D893 HydrophobicContact CD1-CB 4.17Å; L866-D893 HydrophobicContact CG-CB 4.04Å; L866-D893 PolarHBondContact N-OD2 2.88Å; L866-F898 HydrophobicContact CD2-CD1 3.72Å; L866-F898 HydrophobicContact CD2-CD2 3.66Å; L866-F898 HydrophobicContact CD2-CE1 3.73Å; L866-F898 HydrophobicContact CD2-CE2 3.66Å; L866-F898 HydrophobicContact CD2-CG 3.7Å; L866-F898 HydrophobicContact CD2-CZ 3.7Å; L866-F898 HydrophobicContact CG-CD2 4.41Å; L866-F898 HydrophobicContact CG-CE2 4.32Å; L866-F956 HydrophobicContact CD2-CE2 4.13Å; L866-L960 HydrophobicContact CD1-CD1 3.57Å; L866-L960 HydrophobicContact CD2-CD1 3.81Å; L866-L960 HydrophobicContact CG-CD1 4.26Å; L866-F963 HydrophobicContact CD1-CD1 4.28Å; L866-F963 HydrophobicContact CD1-CE1 4.25Å; L866-F964 HydrophobicContact CD1-CE2 3.99Å; L866-F964 HydrophobicContact CD1-CZ 4.48Å
867E91.9Very high90.6Very high9 Ų933.8 Ų33.84%0.04217%0.169CC..Hα-helixtrans-56.8-47.4171.7177.5171.8-167.700111.3I855 N859 Y863 H864 T865 M869 L870 C871 A885I855-E867 HydrophobicContact CG2-CG 3.98Å; N859-E867 PolarHBondContact ND2-OE1 3.4Å; N859-E867 PolarHBondContact ND2-OE2 3.17Å; Y863-E867 PolarHBondContact O-N 3.05Å; H864-E867 IonicContact CE1-OE2 3.95Å; H864-E867 IonicContact ND1-OE2 3.76Å; H864-E867 PolarHBondContact ND1-OE2 3.43Å; H864-E867 VanDerWaalsContact ND1-OE2 3.09Å; T865-E867 VanDerWaalsContact C-N 3.34Å; T865-E867 PolarHBondContact O-N 3.36Å; E867-M869 VanDerWaalsContact C-N 3.33Å; E867-M869 PolarHBondContact O-N 3.46Å; E867-L870 PolarHBondContact O-N 2.98Å; E867-C871 PolarHBondContact O-N 3.15Å; E867-C871 VanDerWaalsContact O-N 3.14Å; E867-C871 PolarHBondContact O-SG 2.85Å; E867-A885 HydrophobicContact CB-CB 4.03Å; E867-A885 HydrophobicContact CG-CB 3.61Å
868T90.3Very high90.5Very high2 Ų236.3 Ų36.31%0.01218%0.182CC..Hα-helixtrans-59.8-42.8176.5-55.70000111.6H864 T865 L866 C871 A882 A885 C886 Y899 V911H864-T868 WeakPolarHBondContact O-CB 3.39Å; H864-T868 PolarHBondContact O-N 2.98Å; H864-T868 PolarHBondContact O-OG1 3.04Å; T865-T868 WeakPolarHBondContact O-CB 3.38Å; T865-T868 PolarHBondContact O-N 3.12Å; T865-T868 VanDerWaalsContact O-N 3.16Å; L866-T868 VanDerWaalsContact C-N 3.34Å; L866-T868 PolarHBondContact O-N 3.38Å; T868-C871 WeakPolarHBondContact O-CB 3.19Å; T868-C871 PolarHBondContact O-N 2.94Å; T868-A882 HydrophobicContact CG2-CB 3.97Å; T868-A885 WeakPolarHBondContact OG1-CB 3.47Å; T868-C886 HydrophobicContact CG2-CB 4.28Å; T868-C886 PolarHBondContact OG1-N 3.5Å; T868-Y899 HydrophobicContact CG2-CE1 4.06Å; T868-V911 HydrophobicContact CG2-CG2 4.01Å
869M91.6Very high90.5Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-69.1-42.4179.1-65.6-58.4-62.500112.8T865 L866 E867 C871 Q872 F898 Y899 L901 T902 F956T865-M869 VanDerWaalsContact O-CG 3.29Å; T865-M869 WeakPolarHBondContact O-CG 3.22Å; T865-M869 PolarHBondContact O-N 2.89Å; L866-M869 PolarHBondContact O-N 3.06Å; E867-M869 VanDerWaalsContact C-N 3.33Å; E867-M869 PolarHBondContact O-N 3.46Å; M869-C871 PolarHBondContact O-N 3.48Å; M869-Q872 VanDerWaalsContact CE-NE2 3.29Å; M869-Q872 WeakPolarHBondContact O-CB 3.33Å; M869-Q872 PolarHBondContact O-N 3.24Å; M869-Q872 PolarHBondContact SD-NE2 2.93Å; M869-F898 WeakPolarHBondContact CE-O 3.48Å; M869-F898 HydrophobicContact CG-CB 4.08Å; M869-F898 VanDerWaalsContact SD-O 3.33Å; M869-Y899 HydrophobicContact SD-CD1 4.35Å; M869-L901 VanDerWaalsContact CE-C 3.49Å; M869-L901 HydrophobicContact CE-CB 4.03Å; M869-T902 PolarHBondContact SD-OG1 2.8Å; M869-T902 VanDerWaalsContact SD-OG1 3.33Å; M869-F956 HydrophobicContact CB-CD2 4.13Å; M869-F956 HydrophobicContact CB-CE2 3.37Å; M869-F956 HydrophobicContact CB-CZ 3.59Å; M869-F956 HydrophobicContact CE-CD2 4.1Å; M869-F956 HydrophobicContact CE-CE2 4.42Å; M869-F956 HydrophobicContact CG-CE2 3.98Å
870L92.7Very high90.4Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-61.5-28.5175.9-74.4170.9000111.8M823 L851 M854 I855 L866 E867 Q872 C873 F956 L960M823-L870 HydrophobicContact CE-CD1 4.43Å; L851-L870 HydrophobicContact CD1-CB 4.01Å; L851-L870 HydrophobicContact CD1-CD2 4.11Å; L851-L870 WeakPolarHBondContact CD1-O 3.39Å; M854-L870 HydrophobicContact CB-CD1 4.07Å; M854-L870 HydrophobicContact CE-CD2 4.16Å; I855-L870 HydrophobicContact CD1-CB 4.23Å; I855-L870 HydrophobicContact CG1-CB 3.7Å; I855-L870 HydrophobicContact CG1-CD1 4.13Å; L866-L870 WeakPolarHBondContact O-CB 3.34Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.49Å; L866-L870 PolarHBondContact O-N 2.99Å; E867-L870 PolarHBondContact O-N 2.98Å; L870-Q872 PolarHBondContact O-N 3.47Å; L870-C873 VanDerWaalsContact O-CB 3.26Å; L870-C873 WeakPolarHBondContact O-CB 3.32Å; L870-C873 PolarHBondContact O-N 3.35Å; L870-F956 HydrophobicContact CD2-CE1 3.99Å; L870-F956 HydrophobicContact CD2-CZ 4.16Å; L870-F956 HydrophobicContact CG-CZ 4.25Å; L870-L960 HydrophobicContact CD2-CD2 4.42Å
871C92.7Very high90.4Very high0 Ų035.7 Ų35.70%019%0.187CC..G310 helixtrans-62.8-20.1174.9-67.80000114E867 T868 M869 C873 P877 N878 A882 M907E867-C871 PolarHBondContact O-N 3.15Å; E867-C871 VanDerWaalsContact O-N 3.14Å; E867-C871 PolarHBondContact O-SG 2.85Å; T868-C871 WeakPolarHBondContact O-CB 3.19Å; T868-C871 PolarHBondContact O-N 2.94Å; M869-C871 PolarHBondContact O-N 3.48Å; C871-C873 PolarHBondContact O-N 3.16Å; C871-P877 WeakPolarHBondContact O-CA 3.19Å; C871-N878 PolarHBondContact O-N 3.38Å; C871-A882 HydrophobicContact CB-CB 3.84Å; C871-M907 HydrophobicContact CB-CE 4.19Å
872Q92.3Very high90.3Very high4 Ų434.5 Ų34.52%0.01918%0.181CC..G310 helixtrans-73-16.5172.6-63.6178.367.500113M869 L870 F874 T902 W903 M907M869-Q872 VanDerWaalsContact CE-NE2 3.29Å; M869-Q872 WeakPolarHBondContact O-CB 3.33Å; M869-Q872 PolarHBondContact O-N 3.24Å; M869-Q872 PolarHBondContact SD-NE2 2.93Å; L870-Q872 PolarHBondContact O-N 3.47Å; Q872-F874 VanDerWaalsContact C-N 3.34Å; Q872-T902 PolarHBondContact NE2-OG1 3.47Å; Q872-T902 VanDerWaalsContact OE1-CG2 3.27Å; Q872-W903 HydrophobicContact CB-CH2 4.2Å; Q872-W903 HydrophobicContact CB-CZ2 3.54Å; Q872-M907 HydrophobicContact CG-CB 4.25Å; Q872-M907 HydrophobicContact CG-CE 3.75Å; Q872-M907 HydrophobicContact CG-CG 3.77Å
873C91Very high90.3Very high13 Ų1329.7 Ų29.79%0.08817%0.166CC..G310 helixtrans-82.2-9.7-179.4-680000113.6F846 L851 L870 C871F846-C873 HydrophobicContact CE1-CB 3.91Å; F846-C873 HydrophobicContact CZ-CB 4.26Å; L851-C873 HydrophobicContact CD1-CB 3.96Å; L851-C873 HydrophobicContact CD2-CB 3.77Å; L870-C873 VanDerWaalsContact O-CB 3.26Å; L870-C873 WeakPolarHBondContact O-CB 3.32Å; L870-C873 PolarHBondContact O-N 3.35Å; C871-C873 PolarHBondContact O-N 3.16Å
874F89Confident90.2Very high18 Ų1835.2 Ų35.28%0.07919%0.191CC..SBendtrans-71.6148.1171.1-68.8-77.8000110.6L851 N852 I855 Q872 P876 P877 N878L851-F874 HydrophobicContact CD2-CB 4.4Å; L851-F874 HydrophobicContact CD2-CD1 3.55Å; L851-F874 HydrophobicContact CD2-CD2 3.81Å; L851-F874 HydrophobicContact CD2-CE1 3.61Å; L851-F874 HydrophobicContact CD2-CE2 3.88Å; L851-F874 HydrophobicContact CD2-CG 3.64Å; L851-F874 HydrophobicContact CD2-CZ 3.77Å; L851-F874 HydrophobicContact CG-CD1 4.45Å; L851-F874 HydrophobicContact CG-CE1 4.02Å; L851-F874 HydrophobicContact CG-CE2 4.18Å; L851-F874 HydrophobicContact CG-CZ 3.86Å; N852-F874 VanDerWaalsContact OD1-CZ 3.3Å; N852-F874 WeakPolarHBondContact OD1-CZ 3.39Å; I855-F874 HydrophobicContact CD1-CE2 3.37Å; I855-F874 HydrophobicContact CD1-CZ 3.62Å; Q872-F874 VanDerWaalsContact C-N 3.34Å; F874-P876 CarbonylContact C-O 3.54Å; F874-P876 VanDerWaalsContact C-O 3.31Å; F874-P876 WeakPolarHBondContact CB-O 3.35Å; F874-P876 CarbonylContact O-C 3.57Å; F874-P877 WeakPolarHBondContact O-CA 3.4Å; F874-P877 WeakPolarHBondContact O-CD 3.48Å; F874-N878 HydrophobicContact CD2-CB 3.58Å; F874-N878 HydrophobicContact CE2-CB 3.94Å; F874-N878 HydrophobicContact CG-CB 4.28Å
875N84.5Confident90.1Very high131 Ų13134.6 Ų34.670%0.70119%0.188SC*.SBendtrans-115.3104.8169.6-72.6-23.1000108.9
876P84.9Confident90Very high107 Ų10734.7 Ų34.770%0.69519%0.189SC*.SBendcis-71.9161.5-932.5-36.2000113.2F874F874-P876 CarbonylContact C-O 3.54Å; F874-P876 VanDerWaalsContact C-O 3.31Å; F874-P876 WeakPolarHBondContact CB-O 3.35Å; F874-P876 CarbonylContact O-C 3.57Å
877P88.5Confident89.7Confident22 Ų2238.4 Ų38.414%0.14321%0.207CC..  trans-56.7146.2179.5-28.236.1000114C871 F874 Y879 M907C871-P877 WeakPolarHBondContact O-CA 3.19Å; F874-P877 WeakPolarHBondContact O-CA 3.4Å; F874-P877 WeakPolarHBondContact O-CD 3.48Å; P877-Y879 HydrophobicContact CB-CD1 4.36Å; P877-Y879 HydrophobicContact CB-CE1 3.72Å; P877-Y879 HydrophobicContact CB-CE2 4.49Å; P877-Y879 HydrophobicContact CG-CE1 4.37Å; P877-Y879 PolarHBondContact O-N 3.44Å; P877-M907 HydrophobicContact CB-CE 3.88Å
878N91.1Very high89.3Confident53 Ų5342.9 Ų42.928%0.28323%0.228SC..  trans-93.982.5179-170.2-13.6000111.8C871 F874 S880 L881 A882C871-N878 PolarHBondContact O-N 3.38Å; F874-N878 HydrophobicContact CD2-CB 3.58Å; F874-N878 HydrophobicContact CE2-CB 3.94Å; F874-N878 HydrophobicContact CG-CB 4.28Å; N878-S880 VanDerWaalsContact C-N 3.29Å; N878-S880 PolarHBondContact O-N 3.01Å; N878-S880 PolarHBondContact OD1-N 3.21Å; N878-S880 PolarHBondContact OD1-OG 2.72Å; N878-L881 HydrophobicContact CB-CB 4.45Å; N878-L881 PolarHBondContact O-N 2.85Å; N878-L881 PolarHBondContact OD1-N 3.31Å; N878-A882 PolarHBondContact O-N 3.42Å
879Y91.5Very high88.4Confident65 Ų6550.4 Ų50.426%0.25527%0.267SS..Hα-helixtrans-61.3-35.4-179.4-48.9-66.9000113.3P877 L881 A882 C883 D904 T906 M907P877-Y879 HydrophobicContact CB-CD1 4.36Å; P877-Y879 HydrophobicContact CB-CE1 3.72Å; P877-Y879 HydrophobicContact CB-CE2 4.49Å; P877-Y879 HydrophobicContact CG-CE1 4.37Å; P877-Y879 PolarHBondContact O-N 3.44Å; Y879-L881 PolarHBondContact O-N 3.3Å; Y879-A882 PolarHBondContact O-N 2.96Å; Y879-C883 PolarHBondContact O-N 3.09Å; Y879-C883 PolarHBondContact O-SG 2.84Å; Y879-D904 WeakPolarHBondContact CE1-OD2 3.42Å; Y879-D904 PolarHBondContact OH-OD2 2.88Å; Y879-T906 HydrophobicContact CD1-CG2 4.29Å; Y879-T906 HydrophobicContact CE1-CG2 3.84Å; Y879-T906 HydrophobicContact CE2-CG2 4.14Å; Y879-M907 HydrophobicContact CD1-CB 4.33Å; Y879-M907 HydrophobicContact CD1-CE 3.68Å; Y879-M907 HydrophobicContact CD1-SD 3.85Å; Y879-M907 HydrophobicContact CE1-CB 4.22Å; Y879-M907 HydrophobicContact CE1-CE 4.03Å
880S90.7Very high87.7Confident77 Ų7753.6 Ų53.654%0.53829%0.289SS..Hα-helixtrans-66.1-38.1-176.272.60000112.9N878 K884N878-S880 VanDerWaalsContact C-N 3.29Å; N878-S880 PolarHBondContact O-N 3.01Å; N878-S880 PolarHBondContact OD1-N 3.21Å; N878-S880 PolarHBondContact OD1-OG 2.72Å; S880-K884 WeakPolarHBondContact O-CG 3.46Å; S880-K884 PolarHBondContact O-N 3.37Å
881L91Very high87.1Confident45 Ų4555.2 Ų55.224%0.23630%0.3CS..Hα-helixtrans-75.3-40.5177.4-174.361.1000110.6I855 N878 Y879 C883 K884 A885I855-L881 HydrophobicContact CD1-CD2 4.4Å; I855-L881 HydrophobicContact CG2-CD2 3.95Å; N878-L881 HydrophobicContact CB-CB 4.45Å; N878-L881 PolarHBondContact O-N 2.85Å; N878-L881 PolarHBondContact OD1-N 3.31Å; Y879-L881 PolarHBondContact O-N 3.3Å; L881-C883 PolarHBondContact O-N 3.39Å; L881-K884 PolarHBondContact O-N 2.71Å; L881-A885 WeakPolarHBondContact O-CB 3.33Å; L881-A885 PolarHBondContact O-N 2.94Å
882A89.9Confident86.7Confident0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-56.7-47.3173.700000112.4T868 C871 N878 Y879 K884 A885 C886 M907T868-A882 HydrophobicContact CG2-CB 3.97Å; C871-A882 HydrophobicContact CB-CB 3.84Å; N878-A882 PolarHBondContact O-N 3.42Å; Y879-A882 PolarHBondContact O-N 2.96Å; A882-K884 VanDerWaalsContact C-N 3.3Å; A882-K884 PolarHBondContact O-N 2.9Å; A882-A885 PolarHBondContact O-N 3.38Å; A882-C886 WeakPolarHBondContact O-CB 3.27Å; A882-C886 PolarHBondContact O-N 2.92Å; A882-M907 HydrophobicContact CB-CE 3.9Å; A882-M907 HydrophobicContact CB-SD 3.3Å; A882-M907 WeakPolarHBondContact CB-SD 3.37Å
883C90.1Very high86.1Confident24 Ų2462.7 Ų62.716%0.16233%0.328CS..Hα-helixtrans-65.7-30.5177.8-67.70000113.2Y879 L881 C886 M887 T914Y879-C883 PolarHBondContact O-N 3.09Å; Y879-C883 PolarHBondContact O-SG 2.84Å; L881-C883 PolarHBondContact O-N 3.39Å; C883-C886 PolarHBondContact O-SG 3.03Å; C883-M887 WeakPolarHBondContact O-CG 3.43Å; C883-T914 HydrophobicContact CB-CG2 4.22Å; C883-T914 PolarHBondContact SG-OG1 3.32Å; C883-T914 VanDerWaalsContact SG-OG1 3.39Å
884K90.4Very high84.8Confident151 Ų15165.7 Ų65.766%0.65736%0.361SS*.Hα-helixtrans-71.4-47.3173.9-74.1176.5-177.3-179.60111.1S880 L881 A882 C886 M887S880-K884 WeakPolarHBondContact O-CG 3.46Å; S880-K884 PolarHBondContact O-N 3.37Å; L881-K884 PolarHBondContact O-N 2.71Å; A882-K884 VanDerWaalsContact C-N 3.3Å; A882-K884 PolarHBondContact O-N 2.9Å; K884-C886 PolarHBondContact O-N 2.83Å; K884-M887 PolarHBondContact O-N 3.47Å
885A87.8Confident83.8Confident3 Ų366.8 Ų66.83%0.02537%0.371CS..Hα-helixtrans-62.8-42.3-179.200000112H864 E867 T868 L881 A882 M887 E888H864-A885 HydrophobicContact CB-CB 4.48Å; H864-A885 WeakPolarHBondContact CB-O 3.35Å; E867-A885 HydrophobicContact CB-CB 4.03Å; E867-A885 HydrophobicContact CG-CB 3.61Å; T868-A885 WeakPolarHBondContact OG1-CB 3.47Å; L881-A885 WeakPolarHBondContact O-CB 3.33Å; L881-A885 PolarHBondContact O-N 2.94Å; A882-A885 PolarHBondContact O-N 3.38Å; A885-M887 PolarHBondContact O-N 3.39Å; A885-E888 WeakPolarHBondContact O-CB 3.46Å; A885-E888 PolarHBondContact O-N 3.37Å; A885-E888 VanDerWaalsContact O-N 3.15Å
886C86Confident83.4Confident5 Ų563.6 Ų63.63%0.03435%0.354CS..Hα-helixtrans-68.3-17-177.977.50000114.3T868 A882 C883 K884 V911 M915T868-C886 HydrophobicContact CG2-CB 4.28Å; T868-C886 PolarHBondContact OG1-N 3.5Å; A882-C886 WeakPolarHBondContact O-CB 3.27Å; A882-C886 PolarHBondContact O-N 2.92Å; C883-C886 PolarHBondContact O-SG 3.03Å; K884-C886 PolarHBondContact O-N 2.83Å; C886-V911 HydrophobicContact CB-CG1 4.09Å; C886-M915 HydrophobicContact CB-CE 4.17Å
887M84.9Confident83.3Confident77 Ų7763.1 Ų63.138%0.37934%0.343SS..THydrogen-bonded Turntrans-85-11.3176.7-73.4-64-6600113.6C883 K884 A885 L889 T914C883-M887 WeakPolarHBondContact O-CG 3.43Å; K884-M887 PolarHBondContact O-N 3.47Å; A885-M887 PolarHBondContact O-N 3.39Å; M887-L889 PolarHBondContact O-N 3.31Å; M887-T914 HydrophobicContact CG-CG2 3.34Å; M887-T914 HydrophobicContact SD-CG2 3.5Å; M887-T914 VanDerWaalsContact SD-CG2 3.5Å
888E83.7Confident83.2Confident103 Ų10362.5 Ų62.548%0.48134%0.338SS..  trans-66122.3178.2-69.4-65166.200110.6H864 A885 C890H864-E888 HydrophobicContact CB-CB 4.13Å; H864-E888 VanDerWaalsContact CD2-CB 3.42Å; H864-E888 WeakPolarHBondContact CD2-CB 3.44Å; A885-E888 WeakPolarHBondContact O-CB 3.46Å; A885-E888 PolarHBondContact O-N 3.37Å; A885-E888 VanDerWaalsContact O-N 3.15Å; E888-C890 VanDerWaalsContact C-N 3.3Å; E888-C890 PolarHBondContact O-N 3.34Å
889L72.8Confident83Confident161 Ų16160.2 Ų60.284%0.84333%0.325SS*.SBendtrans-72.8-24-173.6-69.2169.4000112.8M887M887-L889 PolarHBondContact O-N 3.31Å
890C76.5Confident82.7Confident66 Ų6660.5 Ų60.545%0.44633%0.329SS..  trans-112.297.4-174.7-165.50000110.3H864 E888 W892H864-C890 PolarHBondContact CD2-O 3.43Å; H864-C890 VanDerWaalsContact CD2-O 3.3Å; E888-C890 VanDerWaalsContact C-N 3.3Å; E888-C890 PolarHBondContact O-N 3.34Å; C890-W892 PolarHBondContact SG-NE1 3.2Å
891C80.6Confident82.7Confident34 Ų3457.6 Ų57.623%0.2331%0.307CS..  trans-118.3130-179.1-161.10000110.9R862 H864 T865 D893R862-C891 CarbonylContact O-C 3.58Å; R862-C891 WeakPolarHBondContact O-CA 3.32Å; H864-C891 PolarHBondContact N-SG 3.41Å; T865-C891 PolarHBondContact N-SG 3.11Å; T865-C891 VanDerWaalsContact N-SG 3.38Å; T865-C891 PolarHBondContact OG1-SG 3.28Å; C891-D893 PolarHBondContact SG-OD1 3.14Å; C891-D893 PolarHBondContact SG-OD2 2.83Å
892W82.6Confident82.6Confident156 Ų15655.6 Ų55.659%0.59130%0.297SS*.  trans-106.31.2-170.9-67.926.6000113R862 Y863 C890 G894R862-W892 HydrophobicContact CB-CB 4.45Å; R862-W892 HydrophobicContact CB-CG 4.11Å; R862-W892 PolarHBondContact O-N 3.31Å; Y863-W892 HydrophobicContact CD1-CB 3.92Å; Y863-W892 HydrophobicContact CE1-CB 3.76Å; Y863-W892 WeakPolarHBondContact CE1-O 3.3Å; C890-W892 PolarHBondContact SG-NE1 3.2Å; W892-G894 PolarHBondContact O-N 2.79Å
893D80.3Confident82.6Confident5 Ų556.6 Ų56.63%0.02730%0.301CS..SBendtrans-80.2-0.2178.953.225.1000114Y863 H864 T865 L866 C891 S895 F963Y863-D893 VanDerWaalsContact C-OD2 3.22Å; Y863-D893 WeakPolarHBondContact CA-OD2 3.43Å; Y863-D893 HydrophobicContact CD1-CB 3.77Å; Y863-D893 HydrophobicContact CG-CB 3.96Å; H864-D893 PolarHBondContact N-OD2 3.14Å; T865-D893 VanDerWaalsContact CA-OD2 3.28Å; T865-D893 WeakPolarHBondContact CA-OD2 3.25Å; T865-D893 WeakPolarHBondContact CB-OD1 3.42Å; T865-D893 WeakPolarHBondContact CB-OD2 3.3Å; T865-D893 PolarHBondContact N-OD2 3.44Å; T865-D893 PolarHBondContact OG1-OD1 3.07Å; T865-D893 PolarHBondContact OG1-OD2 2.83Å; L866-D893 HydrophobicContact CD1-CB 4.17Å; L866-D893 HydrophobicContact CG-CB 4.04Å; L866-D893 PolarHBondContact N-OD2 2.88Å; C891-D893 PolarHBondContact SG-OD1 3.14Å; C891-D893 PolarHBondContact SG-OD2 2.83Å; D893-S895 PolarHBondContact O-N 3.33Å; D893-F963 HydrophobicContact CB-CZ 4.4Å
894G64.8Low82.6Confident76 Ų7657 Ų5778%0.78430%0.301SS*.  trans62.212.7162.800000115.8W892W892-G894 PolarHBondContact O-N 2.79Å
895S67.8Low82.6Confident41 Ų4151.9 Ų51.929%0.28728%0.283SS..  trans-150.9108.5-172.2-135.50000115D893 H897 F898D893-S895 PolarHBondContact O-N 3.33Å; S895-H897 PolarHBondContact O-N 2.98Å; S895-H897 WeakPolarHBondContact OG-CB 3.19Å; S895-F898 PolarHBondContact O-N 3.24Å
896D75.9Confident82.7Confident64 Ų6454.4 Ų54.434%0.34230%0.298SS..THydrogen-bonded Turntrans-65-8.8158.5-65-31.8000111.5F898 Y899 K923D896-F898 VanDerWaalsContact C-N 3.27Å; D896-F898 PolarHBondContact O-N 2.84Å; D896-Y899 WeakPolarHBondContact O-CB 3.44Å; D896-Y899 PolarHBondContact O-N 2.92Å; D896-K923 WeakPolarHBondContact OD1-CD 3.26Å; D896-K923 WeakPolarHBondContact OD1-CE 3.48Å; D896-K923 IonicContact OD1-NZ 2.64Å
897H82.2Confident82.9Confident98 Ų9854.2 Ų54.245%0.45430%0.296SS..Hα-helixtrans-61.2-33.2175.4-17456.5000112.7S895 Y899 Q900S895-H897 PolarHBondContact O-N 2.98Å; S895-H897 WeakPolarHBondContact OG-CB 3.19Å; H897-Y899 PolarHBondContact O-N 3.38Å; H897-Q900 PolarHBondContact CE1-OE1 3.49Å; H897-Q900 PolarHBondContact ND1-OE1 2.91Å; H897-Q900 WeakPolarHBondContact O-CB 3.42Å; H897-Q900 PolarHBondContact O-N 3.49Å; H897-Q900 VanDerWaalsContact O-N 3.09Å
898F86.4Confident83.1Confident9 Ų950.5 Ų50.54%0.03928%0.278CS..Hα-helixtrans-63.5-31.2179.8-71.3-66.2000112.2T865 L866 M869 S895 D896 Q900 L901 F956 A959 F963T865-F898 HydrophobicContact CG2-CB 3.87Å; L866-F898 HydrophobicContact CD2-CD1 3.72Å; L866-F898 HydrophobicContact CD2-CD2 3.66Å; L866-F898 HydrophobicContact CD2-CE1 3.73Å; L866-F898 HydrophobicContact CD2-CE2 3.66Å; L866-F898 HydrophobicContact CD2-CG 3.7Å; L866-F898 HydrophobicContact CD2-CZ 3.7Å; L866-F898 HydrophobicContact CG-CD2 4.41Å; L866-F898 HydrophobicContact CG-CE2 4.32Å; M869-F898 WeakPolarHBondContact CE-O 3.48Å; M869-F898 HydrophobicContact CG-CB 4.08Å; M869-F898 VanDerWaalsContact SD-O 3.33Å; S895-F898 PolarHBondContact O-N 3.24Å; D896-F898 VanDerWaalsContact C-N 3.27Å; D896-F898 PolarHBondContact O-N 2.84Å; F898-Q900 PolarHBondContact O-N 2.95Å; F898-L901 HydrophobicContact CD1-CD1 4.5Å; F898-L901 WeakPolarHBondContact O-CB 3.35Å; F898-L901 PolarHBondContact O-N 2.81Å; F898-F956 HydrophobicContact CD1-CD2 4.27Å; F898-F956 HydrophobicContact CD1-CE2 4.25Å; F898-A959 HydrophobicContact CE1-CB 3.99Å; F898-F963 HydrophobicContact CZ-CB 4.49Å
899Y86.1Confident83.4Confident4 Ų451.1 Ų51.12%0.01628%0.281CS..Hα-helixtrans-61.6-28.3176.5-75.9-52.2000113T865 T868 M869 D896 H897 L901 T902 V911 M915 K923 L927T865-Y899 HydrophobicContact CG2-CD1 4.21Å; T865-Y899 HydrophobicContact CG2-CD2 3.92Å; T865-Y899 HydrophobicContact CG2-CE1 3.92Å; T865-Y899 HydrophobicContact CG2-CE2 3.6Å; T865-Y899 HydrophobicContact CG2-CG 4.2Å; T868-Y899 HydrophobicContact CG2-CE1 4.06Å; M869-Y899 HydrophobicContact SD-CD1 4.35Å; D896-Y899 WeakPolarHBondContact O-CB 3.44Å; D896-Y899 PolarHBondContact O-N 2.92Å; H897-Y899 PolarHBondContact O-N 3.38Å; Y899-L901 PolarHBondContact O-N 2.89Å; Y899-T902 VanDerWaalsContact O-CB 3.31Å; Y899-T902 WeakPolarHBondContact O-CB 3.48Å; Y899-T902 PolarHBondContact O-N 3.29Å; Y899-T902 VanDerWaalsContact O-N 3.15Å; Y899-T902 PolarHBondContact O-OG1 3.22Å; Y899-V911 HydrophobicContact CE1-CG1 4.44Å; Y899-M915 HydrophobicContact CD2-CE 4.45Å; Y899-M915 HydrophobicContact CE1-CE 3.94Å; Y899-M915 HydrophobicContact CE2-CE 3.71Å; Y899-M915 VanDerWaalsContact CZ-CE 3.4Å; Y899-M915 WeakPolarHBondContact OH-CE 3.49Å; Y899-K923 HydrophobicContact CE2-CD 4.25Å; Y899-L927 HydrophobicContact CD1-CD1 4.26Å; Y899-L927 HydrophobicContact CD1-CD2 3.96Å; Y899-L927 HydrophobicContact CD1-CG 4.4Å; Y899-L927 HydrophobicContact CG-CD1 4.49Å; Y899-L927 HydrophobicContact CG-CD2 4.05Å; Y899-L927 HydrophobicContact CG-CG 4.29Å
900Q86.3Confident84.3Confident71 Ų7145.2 Ų45.233%0.33225%0.253SS..Hα-helixtrans-64.2-23.8175.7-62.3175.2-14.900112.8H897 F898 T902 V926 E930 R952H897-Q900 PolarHBondContact CE1-OE1 3.49Å; H897-Q900 PolarHBondContact ND1-OE1 2.91Å; H897-Q900 WeakPolarHBondContact O-CB 3.42Å; H897-Q900 PolarHBondContact O-N 3.49Å; H897-Q900 VanDerWaalsContact O-N 3.09Å; F898-Q900 PolarHBondContact O-N 2.95Å; Q900-T902 PolarHBondContact O-N 2.97Å; Q900-V926 HydrophobicContact CG-CG1 3.76Å; Q900-E930 HydrophobicContact CB-CG 4.24Å; Q900-E930 HydrophobicContact CG-CG 4.2Å; Q900-R952 PolarHBondContact O-NH1 3.42Å; Q900-R952 VanDerWaalsContact O-NH1 3.1Å
901L89.6Confident84.9Confident16 Ų1642.2 Ų42.28%0.08423%0.233CC..THydrogen-bonded Turntrans-87.59.8-179.6-54.9174.8000112.3M869 F898 Y899 W903 Q955 F956 A959M869-L901 VanDerWaalsContact CE-C 3.49Å; M869-L901 HydrophobicContact CE-CB 4.03Å; F898-L901 HydrophobicContact CD1-CD1 4.5Å; F898-L901 WeakPolarHBondContact O-CB 3.35Å; F898-L901 PolarHBondContact O-N 2.81Å; Y899-L901 PolarHBondContact O-N 2.89Å; L901-W903 WeakPolarHBondContact O-CZ3 3.39Å; L901-Q955 HydrophobicContact CD2-CB 3.98Å; L901-F956 HydrophobicContact CB-CB 4.18Å; L901-F956 HydrophobicContact CD1-CB 4.2Å; L901-F956 HydrophobicContact CD1-CD2 4.48Å; L901-A959 HydrophobicContact CD1-CB 4.15Å
902T89.5Confident85.4Confident4 Ų441.5 Ų41.53%0.02523%0.226CC..  trans-69.5137.7176.3-58.60000109.2M869 Q872 Y899 Q900 M907 F908 R952M869-T902 PolarHBondContact SD-OG1 2.8Å; M869-T902 VanDerWaalsContact SD-OG1 3.33Å; Q872-T902 PolarHBondContact NE2-OG1 3.47Å; Q872-T902 VanDerWaalsContact OE1-CG2 3.27Å; Y899-T902 VanDerWaalsContact O-CB 3.31Å; Y899-T902 WeakPolarHBondContact O-CB 3.48Å; Y899-T902 PolarHBondContact O-N 3.29Å; Y899-T902 VanDerWaalsContact O-N 3.15Å; Y899-T902 PolarHBondContact O-OG1 3.22Å; Q900-T902 PolarHBondContact O-N 2.97Å; T902-M907 HydrophobicContact CG2-CB 4.34Å; T902-M907 HydrophobicContact CG2-CG 4.37Å; T902-F908 HydrophobicContact CG2-CD1 4Å; T902-F908 HydrophobicContact CG2-CD2 3.66Å; T902-F908 HydrophobicContact CG2-CE1 3.83Å; T902-F908 HydrophobicContact CG2-CE2 3.47Å; T902-F908 VanDerWaalsContact CG2-CE2 3.47Å; T902-F908 HydrophobicContact CG2-CG 3.92Å; T902-F908 HydrophobicContact CG2-CZ 3.59Å; T902-F908 WeakPolarHBondContact O-CE2 3.23Å; T902-F908 WeakPolarHBondContact O-CZ 3.18Å; T902-R952 WeakPolarHBondContact O-CD 3.37Å; T902-R952 PolarHBondContact O-NH1 3.17Å
903W90.9Very high85.7Confident20 Ų2037 Ų378%0.07622%0.223CC..  trans-125.8-11.3-176.259.273.3000114.2Q872 L901 V949 R952 K953 F956Q872-W903 HydrophobicContact CB-CH2 4.2Å; Q872-W903 HydrophobicContact CB-CZ2 3.54Å; L901-W903 WeakPolarHBondContact O-CZ3 3.39Å; W903-V949 HydrophobicContact CB-CG2 4.1Å; W903-V949 HydrophobicContact CG-CB 4.45Å; W903-V949 HydrophobicContact CG-CG1 4.06Å; W903-V949 HydrophobicContact CG-CG2 4.24Å; W903-R952 HydrophobicContact CB-CB 4.07Å; W903-R952 HydrophobicContact CE3-CB 4Å; W903-K953 HydrophobicContact CE3-CB 4.25Å; W903-K953 HydrophobicContact CH2-CB 4.16Å; W903-K953 HydrophobicContact CH2-CG 4.07Å; W903-K953 HydrophobicContact CZ2-CB 4.39Å; W903-K953 HydrophobicContact CZ2-CG 4.27Å; W903-K953 HydrophobicContact CZ3-CB 4.09Å; W903-K953 HydrophobicContact CZ3-CG 4.46Å; W903-F956 HydrophobicContact CH2-CD1 4.15Å; W903-F956 HydrophobicContact CH2-CG 4.48Å; W903-F956 HydrophobicContact CZ3-CB 3.91Å; W903-F956 HydrophobicContact CZ3-CD1 4.3Å; W903-F956 HydrophobicContact CZ3-CG 4.2Å
904D90.1Very high86.2Confident34 Ų3438.7 Ų38.718%0.18223%0.233CC..  trans-96.5123.5177.1-176.678.9000111.5Y879 T906 M907 F908Y879-D904 WeakPolarHBondContact CE1-OD2 3.42Å; Y879-D904 PolarHBondContact OH-OD2 2.88Å; D904-T906 VanDerWaalsContact C-N 3.34Å; D904-T906 PolarHBondContact O-N 3.43Å; D904-T906 WeakPolarHBondContact OD2-CA 3.39Å; D904-T906 VanDerWaalsContact OD2-CB 3.31Å; D904-T906 WeakPolarHBondContact OD2-CB 3.21Å; D904-T906 PolarHBondContact OD2-N 3.11Å; D904-T906 VanDerWaalsContact OD2-N 3.09Å; D904-M907 HydrophobicContact CB-CB 3.9Å; D904-M907 WeakPolarHBondContact O-CB 3.31Å; D904-M907 PolarHBondContact O-N 3.21Å; D904-M907 PolarHBondContact OD2-N 2.92Å; D904-F908 WeakPolarHBondContact O-CD2 3.14Å; D904-F908 PolarHBondContact O-N 2.88Å; D904-F908 VanDerWaalsContact O-N 3.11Å
905T89.7Confident87.3Confident43 Ų4335 Ų3526%0.26420%0.195SC..Hα-helixtrans-65.1-36.7-177.152.20000112.5M907 F908 E909 L931 L936T905-M907 VanDerWaalsContact C-N 3.32Å; T905-M907 PolarHBondContact O-N 3.07Å; T905-F908 WeakPolarHBondContact O-CB 3.19Å; T905-F908 PolarHBondContact O-N 3.43Å; T905-E909 WeakPolarHBondContact O-CG 3.36Å; T905-E909 PolarHBondContact O-N 3.42Å; T905-E909 VanDerWaalsContact O-N 3.08Å; T905-L931 HydrophobicContact CG2-CD1 4.45Å; T905-L936 WeakPolarHBondContact CG2-O 3.12Å
906T89.8Confident88.3Confident55 Ų5535.9 Ų35.934%0.33720%0.199SC..Hα-helixtrans-68.4-36.6178-47.50000110.6Y879 D904 E909 C910Y879-T906 HydrophobicContact CD1-CG2 4.29Å; Y879-T906 HydrophobicContact CE1-CG2 3.84Å; Y879-T906 HydrophobicContact CE2-CG2 4.14Å; D904-T906 VanDerWaalsContact C-N 3.34Å; D904-T906 PolarHBondContact O-N 3.43Å; D904-T906 WeakPolarHBondContact OD2-CA 3.39Å; D904-T906 VanDerWaalsContact OD2-CB 3.31Å; D904-T906 WeakPolarHBondContact OD2-CB 3.21Å; D904-T906 PolarHBondContact OD2-N 3.11Å; D904-T906 VanDerWaalsContact OD2-N 3.09Å; T906-E909 PolarHBondContact O-N 3.43Å; T906-C910 WeakPolarHBondContact O-CB 3.32Å; T906-C910 PolarHBondContact O-N 3.47Å; T906-C910 PolarHBondContact O-SG 3.06Å
907M89.5Confident88.9Confident1 Ų136 Ų361%0.00522%0.215CC..Hα-helixtrans-62.6-43.7173.8-167.667.173.900111.3C871 Q872 P877 Y879 A882 T902 D904 T905 C910 V911C871-M907 HydrophobicContact CB-CE 4.19Å; Q872-M907 HydrophobicContact CG-CB 4.25Å; Q872-M907 HydrophobicContact CG-CE 3.75Å; Q872-M907 HydrophobicContact CG-CG 3.77Å; P877-M907 HydrophobicContact CB-CE 3.88Å; Y879-M907 HydrophobicContact CD1-CB 4.33Å; Y879-M907 HydrophobicContact CD1-CE 3.68Å; Y879-M907 HydrophobicContact CD1-SD 3.85Å; Y879-M907 HydrophobicContact CE1-CB 4.22Å; Y879-M907 HydrophobicContact CE1-CE 4.03Å; A882-M907 HydrophobicContact CB-CE 3.9Å; A882-M907 HydrophobicContact CB-SD 3.3Å; A882-M907 WeakPolarHBondContact CB-SD 3.37Å; T902-M907 HydrophobicContact CG2-CB 4.34Å; T902-M907 HydrophobicContact CG2-CG 4.37Å; D904-M907 HydrophobicContact CB-CB 3.9Å; D904-M907 WeakPolarHBondContact O-CB 3.31Å; D904-M907 PolarHBondContact O-N 3.21Å; D904-M907 PolarHBondContact OD2-N 2.92Å; T905-M907 VanDerWaalsContact C-N 3.32Å; T905-M907 PolarHBondContact O-N 3.07Å; M907-C910 PolarHBondContact O-N 3.18Å; M907-V911 HydrophobicContact CG-CG2 4.2Å; M907-V911 WeakPolarHBondContact O-CB 3.39Å; M907-V911 VanDerWaalsContact O-CG2 3.26Å; M907-V911 WeakPolarHBondContact O-CG2 3.34Å; M907-V911 PolarHBondContact O-N 3.04Å; M907-V911 HydrophobicContact SD-CG2 4.07Å
908F89.7Confident89Confident0 Ų032.8 Ų32.80%021%0.208CC..Hα-helixtrans-54.7-54.7172.3-80.6-72.4000111T902 D904 T905 C910 V911 I912 L927 E930 L931 L936T902-F908 HydrophobicContact CG2-CD1 4Å; T902-F908 HydrophobicContact CG2-CD2 3.66Å; T902-F908 HydrophobicContact CG2-CE1 3.83Å; T902-F908 HydrophobicContact CG2-CE2 3.47Å; T902-F908 VanDerWaalsContact CG2-CE2 3.47Å; T902-F908 HydrophobicContact CG2-CG 3.92Å; T902-F908 HydrophobicContact CG2-CZ 3.59Å; T902-F908 WeakPolarHBondContact O-CE2 3.23Å; T902-F908 WeakPolarHBondContact O-CZ 3.18Å; D904-F908 WeakPolarHBondContact O-CD2 3.14Å; D904-F908 PolarHBondContact O-N 2.88Å; D904-F908 VanDerWaalsContact O-N 3.11Å; T905-F908 WeakPolarHBondContact O-CB 3.19Å; T905-F908 PolarHBondContact O-N 3.43Å; F908-C910 PolarHBondContact O-N 2.91Å; F908-V911 PolarHBondContact O-N 3.2Å; F908-I912 HydrophobicContact CB-CD1 4.2Å; F908-I912 WeakPolarHBondContact O-CB 2.91Å; F908-I912 WeakPolarHBondContact O-CD1 3.48Å; F908-I912 WeakPolarHBondContact O-CG1 3.46Å; F908-I912 PolarHBondContact O-N 3.04Å; F908-L927 HydrophobicContact CD1-CB 4.04Å; F908-L927 HydrophobicContact CD1-CD2 3.62Å; F908-L927 HydrophobicContact CD1-CG 4.41Å; F908-L927 HydrophobicContact CE1-CB 4.33Å; F908-L927 HydrophobicContact CE1-CD2 3.52Å; F908-E930 HydrophobicContact CE1-CB 3.78Å; F908-E930 HydrophobicContact CZ-CB 3.89Å; F908-L931 HydrophobicContact CB-CB 4.44Å; F908-L931 HydrophobicContact CB-CD1 3.9Å; F908-L931 HydrophobicContact CB-CD2 4.3Å; F908-L931 HydrophobicContact CB-CG 4.45Å; F908-L931 HydrophobicContact CD1-CB 4.29Å; F908-L931 HydrophobicContact CD2-CD1 4.1Å; F908-L931 HydrophobicContact CG-CB 4.28Å; F908-L931 HydrophobicContact CG-CD1 4.1Å; F908-L936 HydrophobicContact CD2-CD1 4.44Å; F908-L936 HydrophobicContact CE2-CD1 3.47Å; F908-L936 VanDerWaalsContact CE2-CD1 3.47Å; F908-L936 HydrophobicContact CZ-CD1 3.93Å
909E90.7Very high89Confident116 Ų11640 Ų4054%0.54224%0.24SC..Hα-helixtrans-58.3-46.6-178.2-69.4176.1-175.500112.6T905 T906 A913T905-E909 WeakPolarHBondContact O-CG 3.36Å; T905-E909 PolarHBondContact O-N 3.42Å; T905-E909 VanDerWaalsContact O-N 3.08Å; T906-E909 PolarHBondContact O-N 3.43Å; E909-A913 VanDerWaalsContact O-CB 3.26Å; E909-A913 WeakPolarHBondContact O-CB 3.45Å; E909-A913 PolarHBondContact O-N 3.26Å
910C90.7Very high88.9Confident37 Ų3741.9 Ų41.925%0.2525%0.25CS..Hα-helixtrans-64.8-46.6-179-68.40000112.1T906 M907 F908 T914T906-C910 WeakPolarHBondContact O-CB 3.32Å; T906-C910 PolarHBondContact O-N 3.47Å; T906-C910 PolarHBondContact O-SG 3.06Å; M907-C910 PolarHBondContact O-N 3.18Å; F908-C910 PolarHBondContact O-N 2.91Å; C910-T914 WeakPolarHBondContact O-CB 3.46Å; C910-T914 PolarHBondContact O-N 3.34Å; C910-T914 PolarHBondContact O-OG1 3.23Å
911V89.8Confident88.8Confident3 Ų343 Ų432%0.01825%0.254CS..Hα-helixtrans-70.2-40.8-179.41760000110.7T868 C886 Y899 M907 F908 T914 M915 L927T868-V911 HydrophobicContact CG2-CG2 4.01Å; C886-V911 HydrophobicContact CB-CG1 4.09Å; Y899-V911 HydrophobicContact CE1-CG1 4.44Å; M907-V911 HydrophobicContact CG-CG2 4.2Å; M907-V911 WeakPolarHBondContact O-CB 3.39Å; M907-V911 VanDerWaalsContact O-CG2 3.26Å; M907-V911 WeakPolarHBondContact O-CG2 3.34Å; M907-V911 PolarHBondContact O-N 3.04Å; M907-V911 HydrophobicContact SD-CG2 4.07Å; F908-V911 PolarHBondContact O-N 3.2Å; V911-T914 PolarHBondContact O-N 3.18Å; V911-M915 HydrophobicContact CG1-CE 3.57Å; V911-M915 HydrophobicContact CG1-CG 4.24Å; V911-M915 HydrophobicContact CG1-SD 3.97Å; V911-M915 WeakPolarHBondContact O-CB 3.32Å; V911-M915 VanDerWaalsContact O-CG 3.29Å; V911-M915 WeakPolarHBondContact O-CG 3.45Å; V911-M915 PolarHBondContact O-N 3.48Å; V911-L927 HydrophobicContact CB-CD1 4.18Å; V911-L927 HydrophobicContact CG1-CD1 3.51Å
912I90.5Very high88.5Confident18 Ų1846.8 Ų46.89%0.09228%0.28CS..Hα-helixtrans-61.9-45.6175.9-72.1166.7000111F908 T914 M915 T916 R924 L927 L928 L931F908-I912 HydrophobicContact CB-CD1 4.2Å; F908-I912 WeakPolarHBondContact O-CB 2.91Å; F908-I912 WeakPolarHBondContact O-CD1 3.48Å; F908-I912 WeakPolarHBondContact O-CG1 3.46Å; F908-I912 PolarHBondContact O-N 3.04Å; I912-T914 VanDerWaalsContact C-N 3.32Å; I912-T914 PolarHBondContact O-N 2.67Å; I912-M915 PolarHBondContact O-N 3.32Å; I912-T916 WeakPolarHBondContact O-CB 3.35Å; I912-T916 PolarHBondContact O-N 3.17Å; I912-T916 PolarHBondContact O-OG1 3.21Å; I912-R924 HydrophobicContact CB-CG 4.49Å; I912-R924 HydrophobicContact CG2-CG 3.84Å; I912-L927 HydrophobicContact CD1-CB 3.89Å; I912-L927 HydrophobicContact CG1-CB 3.66Å; I912-L927 HydrophobicContact CG1-CD1 4.14Å; I912-L928 HydrophobicContact CD1-CD2 3.96Å; I912-L928 HydrophobicContact CD1-CG 4.15Å; I912-L928 HydrophobicContact CG2-CD2 4.1Å; I912-L928 HydrophobicContact CG2-CG 4.33Å; I912-L931 HydrophobicContact CD1-CD2 4.12Å
913A90.6Very high88.2Confident63 Ų6349 Ų4952%0.52129%0.289SS..Hα-helixtrans-61.4-43.7177.600000111.3E909 T916 G917E909-A913 VanDerWaalsContact O-CB 3.26Å; E909-A913 WeakPolarHBondContact O-CB 3.45Å; E909-A913 PolarHBondContact O-N 3.26Å; A913-T916 PolarHBondContact O-N 3.29Å; A913-G917 PolarHBondContact O-N 3.38Å
914T89.4Confident88Confident39 Ų3951 Ų5124%0.23930%0.296CS..Hα-helixtrans-65.4-46.9179.1-56.70000111.6C883 M887 C910 V911 I912 T916 G917 G918C883-T914 HydrophobicContact CB-CG2 4.22Å; C883-T914 PolarHBondContact SG-OG1 3.32Å; C883-T914 VanDerWaalsContact SG-OG1 3.39Å; M887-T914 HydrophobicContact CG-CG2 3.34Å; M887-T914 HydrophobicContact SD-CG2 3.5Å; M887-T914 VanDerWaalsContact SD-CG2 3.5Å; C910-T914 WeakPolarHBondContact O-CB 3.46Å; C910-T914 PolarHBondContact O-N 3.34Å; C910-T914 PolarHBondContact O-OG1 3.23Å; V911-T914 PolarHBondContact O-N 3.18Å; I912-T914 VanDerWaalsContact C-N 3.32Å; I912-T914 PolarHBondContact O-N 2.67Å; T914-T916 VanDerWaalsContact C-N 3.28Å; T914-T916 PolarHBondContact O-N 3.47Å; T914-G917 PolarHBondContact O-N 3.39Å; T914-G918 PolarHBondContact O-N 2.98Å
915M88.1Confident87.9Confident0 Ų052.4 Ų52.40%030%0.304CS..Hα-helixtrans-62.9-33.2175.1-73.5-178.4175.600112.8C886 Y899 V911 I912 G918 K919 L920 K923 R924 L927C886-M915 HydrophobicContact CB-CE 4.17Å; Y899-M915 HydrophobicContact CD2-CE 4.45Å; Y899-M915 HydrophobicContact CE1-CE 3.94Å; Y899-M915 HydrophobicContact CE2-CE 3.71Å; Y899-M915 VanDerWaalsContact CZ-CE 3.4Å; Y899-M915 WeakPolarHBondContact OH-CE 3.49Å; V911-M915 HydrophobicContact CG1-CE 3.57Å; V911-M915 HydrophobicContact CG1-CG 4.24Å; V911-M915 HydrophobicContact CG1-SD 3.97Å; V911-M915 WeakPolarHBondContact O-CB 3.32Å; V911-M915 VanDerWaalsContact O-CG 3.29Å; V911-M915 WeakPolarHBondContact O-CG 3.45Å; V911-M915 PolarHBondContact O-N 3.48Å; I912-M915 PolarHBondContact O-N 3.32Å; M915-G918 CarbonylContact O-C 3.56Å; M915-G918 PolarHBondContact O-N 3.24Å; M915-K919 PolarHBondContact O-N 2.9Å; M915-L920 HydrophobicContact CB-CB 4.21Å; M915-L920 HydrophobicContact CG-CB 4.4Å; M915-L920 PolarHBondContact O-N 3.04Å; M915-K923 HydrophobicContact CE-CB 3.92Å; M915-K923 HydrophobicContact CE-CD 4.36Å; M915-K923 HydrophobicContact SD-CB 3.69Å; M915-R924 HydrophobicContact CB-CB 4.22Å; M915-L927 HydrophobicContact CE-CD1 4.05Å; M915-L927 HydrophobicContact SD-CD1 3.79Å
916T89.5Confident87.8Confident58 Ų5852.1 Ų52.136%0.35630%0.302SS..Hα-helixtrans-66.6-43.3174.6-57.70000110.8I912 A913 T914 G918 K919 R924I912-T916 WeakPolarHBondContact O-CB 3.35Å; I912-T916 PolarHBondContact O-N 3.17Å; I912-T916 PolarHBondContact O-OG1 3.21Å; A913-T916 PolarHBondContact O-N 3.29Å; T914-T916 VanDerWaalsContact C-N 3.28Å; T914-T916 PolarHBondContact O-N 3.47Å; T916-G918 VanDerWaalsContact C-N 3.34Å; T916-K919 PolarHBondContact O-N 2.82Å; T916-R924 WeakPolarHBondContact OG1-CD 3.34Å
917G87.8Confident87.6Confident67 Ų6749.6 Ų49.669%0.69129%0.286SS*.Hα-helixtrans-62.6-39172.600000113A913 T914 K919A913-G917 PolarHBondContact O-N 3.38Å; T914-G917 PolarHBondContact O-N 3.39Å; G917-K919 VanDerWaalsContact C-N 3.28Å; G917-K919 PolarHBondContact O-N 3.18Å
918G84.5Confident87.6Confident30 Ų3052.7 Ų52.731%0.30930%0.303SS..THydrogen-bonded Turntrans-77-2.6176.200000115.8T914 M915 T916 L920T914-G918 PolarHBondContact O-N 2.98Å; M915-G918 CarbonylContact O-C 3.56Å; M915-G918 PolarHBondContact O-N 3.24Å; T916-G918 VanDerWaalsContact C-N 3.34Å; G918-L920 VanDerWaalsContact C-N 3.27Å; G918-L920 PolarHBondContact O-N 3.46Å
919K85.5Confident87.7Confident162 Ų16258.2 Ų58.270%0.70433%0.332SS*.THydrogen-bonded Turntrans59.429.8-175.3-55.6-179.8179.7178.50114.5M915 T916 G917 F921M915-K919 PolarHBondContact O-N 2.9Å; T916-K919 PolarHBondContact O-N 2.82Å; G917-K919 VanDerWaalsContact C-N 3.28Å; G917-K919 PolarHBondContact O-N 3.18Å; K919-F921 VanDerWaalsContact C-N 3.32Å; K919-F921 HydrophobicContact CB-CE2 3.97Å; K919-F921 HydrophobicContact CB-CZ 4.43Å; K919-F921 HydrophobicContact CG-CE2 4.44Å; K919-F921 PolarHBondContact O-N 3.29Å
920L84Confident87.5Confident43 Ų4354.5 Ų54.523%0.22532%0.315CS..  trans-90.358.7177.1-62.3175.4000111.6M915 G918 K923 R924M915-L920 HydrophobicContact CB-CB 4.21Å; M915-L920 HydrophobicContact CG-CB 4.4Å; M915-L920 PolarHBondContact O-N 3.04Å; G918-L920 VanDerWaalsContact C-N 3.27Å; G918-L920 PolarHBondContact O-N 3.46Å; L920-K923 PolarHBondContact O-N 3.28Å; L920-R924 PolarHBondContact O-N 3.2Å
921F85.4Confident87.4Confident93 Ų9355.4 Ų55.441%0.40832%0.317SS..Hα-helixtrans-58.7-41.2-172.1-59.5-68.8000115.5K919 K923 R924 D925K919-F921 VanDerWaalsContact C-N 3.32Å; K919-F921 HydrophobicContact CB-CE2 3.97Å; K919-F921 HydrophobicContact CB-CZ 4.43Å; K919-F921 HydrophobicContact CG-CE2 4.44Å; K919-F921 PolarHBondContact O-N 3.29Å; F921-K923 PolarHBondContact O-N 3.4Å; F921-R924 WeakPolarHBondContact O-CB 3.5Å; F921-R924 PolarHBondContact O-N 3.46Å; F921-D925 PolarHBondContact O-N 3.32Å
922P82.8Confident87.4Confident97 Ų9759.1 Ų59.163%0.6335%0.348SS*.Hα-helixtrans-60.7-42.4-179.2-25.135000113.3D925 V926P922-D925 PolarHBondContact O-N 3.42Å; P922-V926 PolarHBondContact O-N 3.34Å
923K82.7Confident87.3Confident50 Ų5060 Ų6022%0.21736%0.356CS..Hα-helixtrans-69.1-39.1177.8-60.5-167.8176.6-162.80111.7D896 Y899 M915 L920 F921 D925 V926 L927D896-K923 WeakPolarHBondContact OD1-CD 3.26Å; D896-K923 WeakPolarHBondContact OD1-CE 3.48Å; D896-K923 IonicContact OD1-NZ 2.64Å; Y899-K923 HydrophobicContact CE2-CD 4.25Å; M915-K923 HydrophobicContact CE-CB 3.92Å; M915-K923 HydrophobicContact CE-CD 4.36Å; M915-K923 HydrophobicContact SD-CB 3.69Å; L920-K923 PolarHBondContact O-N 3.28Å; F921-K923 PolarHBondContact O-N 3.4Å; K923-D925 VanDerWaalsContact C-N 3.31Å; K923-D925 PolarHBondContact O-N 2.81Å; K923-V926 PolarHBondContact O-N 3.27Å; K923-L927 PolarHBondContact O-N 3.46Å
924R87.2Confident87.2Confident61 Ų6161.9 Ų61.923%0.2336%0.363CS..Hα-helixtrans-58.2-43.7174.8-174.6-152.168.21711111.4I912 M915 T916 L920 F921 V926 L927 L928I912-R924 HydrophobicContact CB-CG 4.49Å; I912-R924 HydrophobicContact CG2-CG 3.84Å; M915-R924 HydrophobicContact CB-CB 4.22Å; T916-R924 WeakPolarHBondContact OG1-CD 3.34Å; L920-R924 PolarHBondContact O-N 3.2Å; F921-R924 WeakPolarHBondContact O-CB 3.5Å; F921-R924 PolarHBondContact O-N 3.46Å; R924-V926 VanDerWaalsContact C-N 3.32Å; R924-V926 PolarHBondContact O-N 3.11Å; R924-L927 PolarHBondContact O-N 3.4Å; R924-L928 HydrophobicContact CG-CD1 4.01Å; R924-L928 HydrophobicContact CG-CG 4.39Å; R924-L928 WeakPolarHBondContact O-CG 3.43Å; R924-L928 PolarHBondContact O-N 3Å
925D88.5Confident87.2Confident65 Ų6563.4 Ų63.435%0.34837%0.367SS..Hα-helixtrans-66.7-34.2-176.3-66.9-15.8000112.3F921 P922 K923 L928 N929F921-D925 PolarHBondContact O-N 3.32Å; P922-D925 PolarHBondContact O-N 3.42Å; K923-D925 VanDerWaalsContact C-N 3.31Å; K923-D925 PolarHBondContact O-N 2.81Å; D925-L928 PolarHBondContact O-N 3.24Å; D925-N929 VanDerWaalsContact O-CG 3.22Å; D925-N929 PolarHBondContact O-N 3.35Å; D925-N929 PolarHBondContact O-ND2 2.61Å
926V86.5Confident87.1Confident37 Ų3763.7 Ų63.722%0.22437%0.368CS..Hα-helixtrans-60.5-46.5171.8177.40000110.9Q900 P922 K923 R924 N929 E930Q900-V926 HydrophobicContact CG-CG1 3.76Å; P922-V926 PolarHBondContact O-N 3.34Å; K923-V926 PolarHBondContact O-N 3.27Å; R924-V926 VanDerWaalsContact C-N 3.32Å; R924-V926 PolarHBondContact O-N 3.11Å; V926-N929 PolarHBondContact O-N 3.39Å; V926-E930 WeakPolarHBondContact O-CG 3.43Å; V926-E930 PolarHBondContact O-N 3.03Å
927L87.5Confident87Confident1 Ų164.3 Ų64.31%0.00537%0.369CS..Hα-helixtrans-67.2-37.7178-72.7172.7000112.7Y899 F908 V911 I912 M915 K923 R924 E930 L931Y899-L927 HydrophobicContact CD1-CD1 4.26Å; Y899-L927 HydrophobicContact CD1-CD2 3.96Å; Y899-L927 HydrophobicContact CD1-CG 4.4Å; Y899-L927 HydrophobicContact CG-CD1 4.49Å; Y899-L927 HydrophobicContact CG-CD2 4.05Å; Y899-L927 HydrophobicContact CG-CG 4.29Å; F908-L927 HydrophobicContact CD1-CB 4.04Å; F908-L927 HydrophobicContact CD1-CD2 3.62Å; F908-L927 HydrophobicContact CD1-CG 4.41Å; F908-L927 HydrophobicContact CE1-CB 4.33Å; F908-L927 HydrophobicContact CE1-CD2 3.52Å; V911-L927 HydrophobicContact CB-CD1 4.18Å; V911-L927 HydrophobicContact CG1-CD1 3.51Å; I912-L927 HydrophobicContact CD1-CB 3.89Å; I912-L927 HydrophobicContact CG1-CB 3.66Å; I912-L927 HydrophobicContact CG1-CD1 4.14Å; M915-L927 HydrophobicContact CE-CD1 4.05Å; M915-L927 HydrophobicContact SD-CD1 3.79Å; K923-L927 PolarHBondContact O-N 3.46Å; R924-L927 PolarHBondContact O-N 3.4Å; L927-E930 PolarHBondContact O-N 3.34Å; L927-L931 WeakPolarHBondContact O-CB 3.43Å; L927-L931 PolarHBondContact O-N 2.9Å
928L89.5Confident86.9Confident66 Ų6664.9 Ų64.935%0.34636%0.363SS..Hα-helixtrans-63.8-42.1176.6-78.5169.5000112I912 R924 D925 E930 L931 A932I912-L928 HydrophobicContact CD1-CD2 3.96Å; I912-L928 HydrophobicContact CD1-CG 4.15Å; I912-L928 HydrophobicContact CG2-CD2 4.1Å; I912-L928 HydrophobicContact CG2-CG 4.33Å; R924-L928 HydrophobicContact CG-CD1 4.01Å; R924-L928 HydrophobicContact CG-CG 4.39Å; R924-L928 WeakPolarHBondContact O-CG 3.43Å; R924-L928 PolarHBondContact O-N 3Å; D925-L928 PolarHBondContact O-N 3.24Å; L928-E930 VanDerWaalsContact C-N 3.28Å; L928-E930 PolarHBondContact O-N 3.35Å; L928-L931 PolarHBondContact O-N 3.06Å; L928-A932 PolarHBondContact O-N 3.27Å; L928-A932 VanDerWaalsContact O-N 3.12Å
929N89.8Confident87Confident117 Ų11772.3 Ų72.363%0.62639%0.387SS*.Hα-helixtrans-62.3-38.2176.4-71.2-24.7000111.5D925 V926 A932D925-N929 VanDerWaalsContact O-CG 3.22Å; D925-N929 PolarHBondContact O-N 3.35Å; D925-N929 PolarHBondContact O-ND2 2.61Å; V926-N929 PolarHBondContact O-N 3.39Å; N929-A932 PolarHBondContact O-N 2.95Å
930E88.3Confident87.2Confident38 Ų3867 Ų6718%0.17837%0.367CS..Hα-helixtrans-75.7-35.7179.2-72.8-70.715900113.4Q900 F908 V926 L927 L928 A932 C933 R952Q900-E930 HydrophobicContact CB-CG 4.24Å; Q900-E930 HydrophobicContact CG-CG 4.2Å; F908-E930 HydrophobicContact CE1-CB 3.78Å; F908-E930 HydrophobicContact CZ-CB 3.89Å; V926-E930 WeakPolarHBondContact O-CG 3.43Å; V926-E930 PolarHBondContact O-N 3.03Å; L927-E930 PolarHBondContact O-N 3.34Å; L928-E930 VanDerWaalsContact C-N 3.28Å; L928-E930 PolarHBondContact O-N 3.35Å; E930-A932 PolarHBondContact O-N 2.77Å; E930-C933 WeakPolarHBondContact O-CB 3.26Å; E930-C933 PolarHBondContact O-N 3.28Å; E930-C933 VanDerWaalsContact O-N 3.12Å; E930-R952 IonicContact OE2-CZ 2.85Å; E930-R952 IonicContact OE2-NH1 3.55Å; E930-R952 PolarHBondContact OE2-NH1 3.41Å; E930-R952 IonicContact OE2-NH2 2.94Å; E930-R952 PolarHBondContact OE2-NH2 3.35Å
931L88.5Confident87.5Confident55 Ų5572.3 Ų72.329%0.28839%0.388SS..Hα-helixtrans-63.7-30.3172.2-176.963000111.6T905 F908 I912 L927 L928 C933T905-L931 HydrophobicContact CG2-CD1 4.45Å; F908-L931 HydrophobicContact CB-CB 4.44Å; F908-L931 HydrophobicContact CB-CD1 3.9Å; F908-L931 HydrophobicContact CB-CD2 4.3Å; F908-L931 HydrophobicContact CB-CG 4.45Å; F908-L931 HydrophobicContact CD1-CB 4.29Å; F908-L931 HydrophobicContact CD2-CD1 4.1Å; F908-L931 HydrophobicContact CG-CB 4.28Å; F908-L931 HydrophobicContact CG-CD1 4.1Å; I912-L931 HydrophobicContact CD1-CD2 4.12Å; L927-L931 WeakPolarHBondContact O-CB 3.43Å; L927-L931 PolarHBondContact O-N 2.9Å; L928-L931 PolarHBondContact O-N 3.06Å; L931-C933 PolarHBondContact O-N 3.15Å
932A89Confident87.7Confident82 Ų8272.3 Ų72.368%0.67840%0.397SS*.THydrogen-bonded Turntrans-72.4-8.9175.700000113.7L928 N929 E930L928-A932 PolarHBondContact O-N 3.27Å; L928-A932 VanDerWaalsContact O-N 3.12Å; N929-A932 PolarHBondContact O-N 2.95Å; E930-A932 PolarHBondContact O-N 2.77Å
933C88.5Confident88.1Confident37 Ų3771.2 Ų71.225%0.2539%0.392CS..  trans-65.3126.2177-71.30000110.8E930 L931 E935 L936E930-C933 WeakPolarHBondContact O-CB 3.26Å; E930-C933 PolarHBondContact O-N 3.28Å; E930-C933 VanDerWaalsContact O-N 3.12Å; L931-C933 PolarHBondContact O-N 3.15Å; C933-E935 PolarHBondContact O-N 3.33Å; C933-L936 PolarHBondContact O-N 3.09Å; C933-L936 VanDerWaalsContact O-N 3.17Å
934P89.4Confident88.5Confident102 Ų10271.7 Ų71.766%0.66240%0.399SS*.G310 helixtrans-64.5-19.3-17526-35.1000113.4L936 N937 N940P934-L936 VanDerWaalsContact C-N 3.31Å; P934-L936 PolarHBondContact O-N 3.15Å; P934-N937 VanDerWaalsContact O-CB 3.25Å; P934-N937 WeakPolarHBondContact O-CB 3.46Å; P934-N937 PolarHBondContact O-N 3.4Å; P934-N940 PolarHBondContact O-ND2 2.97Å
935E88.8Confident88.7Confident71 Ų7171 Ų7133%0.33240%0.399SS..G310 helixtrans-64.3-32.7177.7-61.3-175.7153.400113.3C933 N937 N940 V948 R951C933-E935 PolarHBondContact O-N 3.33Å; E935-N937 VanDerWaalsContact C-N 3.32Å; E935-N940 PolarHBondContact O-ND2 3.47Å; E935-V948 HydrophobicContact CB-CG1 4.25Å; E935-V948 HydrophobicContact CB-CG2 4.01Å; E935-R951 IonicContact OE1-CZ 3.97Å; E935-R951 IonicContact OE1-NH1 2.64Å; E935-R951 IonicContact OE1-NH2 3.21Å; E935-R951 PolarHBondContact OE1-NH2 3.39Å; E935-R951 IonicContact OE2-CZ 3.43Å; E935-R951 IonicContact OE2-NH2 3.93Å; E935-R951 PolarHBondContact OE2-NH2 3.16Å
936L86.4Confident88.7Confident5 Ų573.6 Ų73.63%0.02641%0.409CS..G310 helixtrans-91.55.8-179.5-70175.9000113.1T905 F908 C933 P934 S938 V948T905-L936 WeakPolarHBondContact CG2-O 3.12Å; F908-L936 HydrophobicContact CD2-CD1 4.44Å; F908-L936 HydrophobicContact CE2-CD1 3.47Å; F908-L936 VanDerWaalsContact CE2-CD1 3.47Å; F908-L936 HydrophobicContact CZ-CD1 3.93Å; C933-L936 PolarHBondContact O-N 3.09Å; C933-L936 VanDerWaalsContact O-N 3.17Å; P934-L936 VanDerWaalsContact C-N 3.31Å; P934-L936 PolarHBondContact O-N 3.15Å; L936-S938 PolarHBondContact O-N 3.27Å; L936-V948 HydrophobicContact CD2-CG1 3.84Å
937N86.9Confident88.9Confident71 Ų7174.5 Ų74.538%0.3842%0.417SS..  trans-62.5120.7179.1-173.9-14.2000110.2P934 E935 F939 N940P934-N937 VanDerWaalsContact O-CB 3.25Å; P934-N937 WeakPolarHBondContact O-CB 3.46Å; P934-N937 PolarHBondContact O-N 3.4Å; E935-N937 VanDerWaalsContact C-N 3.32Å; N937-F939 PolarHBondContact O-N 2.84Å; N937-F939 VanDerWaalsContact OD1-CD2 3.31Å; N937-F939 WeakPolarHBondContact OD1-CD2 3.41Å; N937-F939 PolarHBondContact OD1-N 3.41Å; N937-N940 VanDerWaalsContact O-CB 3.23Å; N937-N940 WeakPolarHBondContact O-CB 3.44Å; N937-N940 PolarHBondContact O-N 3.32Å; N937-N940 PolarHBondContact O-ND2 3.16Å
938S84.9Confident89.1Confident80 Ų8074.9 Ų74.956%0.55942%0.419SS*.THydrogen-bonded Turntrans-59.7-15.6179.956.70000114L936L936-S938 PolarHBondContact O-N 3.27Å
939F87.5Confident89.1Confident186 Ų18674 Ų7482%0.81642%0.417SS*.THydrogen-bonded Turntrans-85.5-3.6173.9-64.8-75.7000114.1N937N937-F939 PolarHBondContact O-N 2.84Å; N937-F939 VanDerWaalsContact OD1-CD2 3.31Å; N937-F939 WeakPolarHBondContact OD1-CD2 3.41Å; N937-F939 PolarHBondContact OD1-N 3.41Å
940N89.9Confident89Confident51 Ų5173.4 Ų73.427%0.27341%0.406SS..SBendtrans-65.5157172.1-72.4-23.8000111.2P934 E935 N937 V944 L945P934-N940 PolarHBondContact O-ND2 2.97Å; E935-N940 PolarHBondContact O-ND2 3.47Å; N937-N940 VanDerWaalsContact O-CB 3.23Å; N937-N940 WeakPolarHBondContact O-CB 3.44Å; N937-N940 PolarHBondContact O-N 3.32Å; N937-N940 PolarHBondContact O-ND2 3.16Å; N940-V944 HydrophobicContact CB-CB 4.42Å; N940-V944 HydrophobicContact CB-CG1 4.45Å; N940-L945 HydrophobicContact CB-CD2 4.16Å; N940-L945 HydrophobicContact CB-CG 4.05Å
941K90.5Very high89.2Confident154 Ų15476.9 Ų76.967%0.6742%0.417SS*.  trans-59143.1172.7-67.9-178.3179.9178.50110.1S943 V944 L945K941-S943 PolarHBondContact O-N 3.37Å; K941-V944 HydrophobicContact CB-CG2 4.29Å; K941-V944 WeakPolarHBondContact O-CB 3.4Å; K941-V944 PolarHBondContact O-N 3.18Å; K941-L945 PolarHBondContact O-N 3.25Å
942P89.7Confident89.3Confident92 Ų9275 Ų7560%0.59741%0.406SS*.Hα-helixtrans-58-35.6-176.721.3-32.7000112.8V944 L945 E946P942-V944 VanDerWaalsContact C-N 3.29Å; P942-V944 PolarHBondContact O-N 3.2Å; P942-L945 PolarHBondContact O-N 2.81Å; P942-E946 WeakPolarHBondContact O-CB 3.37Å; P942-E946 WeakPolarHBondContact O-CG 3.5Å; P942-E946 PolarHBondContact O-N 3.01Å
943S91Very high89.4Confident75 Ų7573.6 Ų73.652%0.52439%0.385SS..Hα-helixtrans-62.4-33175.758.10000113.8K941 S947K941-S943 PolarHBondContact O-N 3.37Å; S943-S947 WeakPolarHBondContact O-CB 3.29Å; S943-S947 PolarHBondContact O-N 2.73Å; S943-S947 VanDerWaalsContact O-N 3.13Å; S943-S947 PolarHBondContact O-OG 3.48Å
944V90.8Very high89.6Confident60 Ų6072.6 Ų72.636%0.36438%0.379SS..Hα-helixtrans-70-48.5175178.10000109.1N940 K941 P942 E946 S947 V948N940-V944 HydrophobicContact CB-CB 4.42Å; N940-V944 HydrophobicContact CB-CG1 4.45Å; K941-V944 HydrophobicContact CB-CG2 4.29Å; K941-V944 WeakPolarHBondContact O-CB 3.4Å; K941-V944 PolarHBondContact O-N 3.18Å; P942-V944 VanDerWaalsContact C-N 3.29Å; P942-V944 PolarHBondContact O-N 3.2Å; V944-E946 PolarHBondContact O-N 2.95Å; V944-S947 PolarHBondContact O-N 2.84Å; V944-S947 PolarHBondContact O-OG 3.16Å; V944-V948 HydrophobicContact CG1-CG2 4.37Å; V944-V948 VanDerWaalsContact O-CG2 3.29Å; V944-V948 WeakPolarHBondContact O-CG2 3.49Å; V944-V948 PolarHBondContact O-N 2.96Å
945L90.4Very high89.7Confident46 Ų4671.7 Ų71.724%0.24137%0.366CS..Hα-helixtrans-59.3-46.6178.3-68.2173.4000111.9N940 K941 P942 S947 V948 V949N940-L945 HydrophobicContact CB-CD2 4.16Å; N940-L945 HydrophobicContact CB-CG 4.05Å; K941-L945 PolarHBondContact O-N 3.25Å; P942-L945 PolarHBondContact O-N 2.81Å; L945-S947 VanDerWaalsContact C-N 3.33Å; L945-S947 PolarHBondContact O-N 3.41Å; L945-V948 PolarHBondContact O-N 3.47Å; L945-V949 WeakPolarHBondContact O-CB 3.11Å; L945-V949 VanDerWaalsContact O-CG2 3.25Å; L945-V949 WeakPolarHBondContact O-CG2 3.33Å; L945-V949 PolarHBondContact O-N 3.18Å
946E89.4Confident89.9Confident120 Ų12068.3 Ų68.356%0.56135%0.351SS*.Hα-helixtrans-58.5-42.9175.3-74.8173-170.300112P942 V944 R950P942-E946 WeakPolarHBondContact O-CB 3.37Å; P942-E946 WeakPolarHBondContact O-CG 3.5Å; P942-E946 PolarHBondContact O-N 3.01Å; V944-E946 PolarHBondContact O-N 2.95Å; E946-R950 VanDerWaalsContact O-CB 3.3Å; E946-R950 WeakPolarHBondContact O-CB 3.37Å; E946-R950 PolarHBondContact O-N 3.28Å
947S89.9Confident90.2Very high56 Ų5668.2 Ų68.239%0.39235%0.35SS..Hα-helixtrans-65.2-38.9177.777.80000112.6S943 V944 L945 R951S943-S947 WeakPolarHBondContact O-CB 3.29Å; S943-S947 PolarHBondContact O-N 2.73Å; S943-S947 VanDerWaalsContact O-N 3.13Å; S943-S947 PolarHBondContact O-OG 3.48Å; V944-S947 PolarHBondContact O-N 2.84Å; V944-S947 PolarHBondContact O-OG 3.16Å; L945-S947 VanDerWaalsContact C-N 3.33Å; L945-S947 PolarHBondContact O-N 3.41Å; S947-R951 WeakPolarHBondContact O-CB 3.3Å; S947-R951 PolarHBondContact O-N 3.06Å
948V91.3Very high90.4Very high8 Ų870.1 Ų70.15%0.04835%0.352CS..Hα-helixtrans-69.2-46178.2172.40000110.3E935 L936 V944 L945 R951 R952E935-V948 HydrophobicContact CB-CG1 4.25Å; E935-V948 HydrophobicContact CB-CG2 4.01Å; L936-V948 HydrophobicContact CD2-CG1 3.84Å; V944-V948 HydrophobicContact CG1-CG2 4.37Å; V944-V948 VanDerWaalsContact O-CG2 3.29Å; V944-V948 WeakPolarHBondContact O-CG2 3.49Å; V944-V948 PolarHBondContact O-N 2.96Å; L945-V948 PolarHBondContact O-N 3.47Å; V948-R951 PolarHBondContact O-N 2.98Å; V948-R952 HydrophobicContact CG1-CG 4.4Å; V948-R952 WeakPolarHBondContact O-CB 3.28Å; V948-R952 PolarHBondContact O-N 3.18Å
949V89.9Confident90.7Very high47 Ų4767.7 Ų67.729%0.28534%0.337SS..Hα-helixtrans-58.4-48.3174.9169.50000110.3W903 L945 R951 R952 K953W903-V949 HydrophobicContact CB-CG2 4.1Å; W903-V949 HydrophobicContact CG-CB 4.45Å; W903-V949 HydrophobicContact CG-CG1 4.06Å; W903-V949 HydrophobicContact CG-CG2 4.24Å; L945-V949 WeakPolarHBondContact O-CB 3.11Å; L945-V949 VanDerWaalsContact O-CG2 3.25Å; L945-V949 WeakPolarHBondContact O-CG2 3.33Å; L945-V949 PolarHBondContact O-N 3.18Å; V949-R951 VanDerWaalsContact C-N 3.34Å; V949-R951 PolarHBondContact O-N 3.43Å; V949-R952 PolarHBondContact O-N 3.2Å; V949-K953 WeakPolarHBondContact O-CB 3.42Å; V949-K953 PolarHBondContact O-N 3.07Å
950R89.1Confident90.9Very high106 Ų10658.9 Ų58.940%0.430%0.298SS..Hα-helixtrans-57-46.4176.8-173.7-173.3-61.5113.45111.6E840 E946 A954E840-R950 HydrophobicContact CG-CG 4.23Å; E840-R950 IonicContact OE1-CZ 3.45Å; E840-R950 IonicContact OE1-NE 2.83Å; E840-R950 PolarHBondContact OE1-NE 3.37Å; E840-R950 IonicContact OE1-NH2 3.72Å; E840-R950 PolarHBondContact OE1-NH2 3.32Å; E946-R950 VanDerWaalsContact O-CB 3.3Å; E946-R950 WeakPolarHBondContact O-CB 3.37Å; E946-R950 PolarHBondContact O-N 3.28Å; R950-A954 WeakPolarHBondContact O-CB 3.44Å; R950-A954 PolarHBondContact O-N 3.16Å
951R91Very high91Very high111 Ų11158 Ų5842%0.41929%0.292SS..Hα-helixtrans-63.9-50.7179.2-175.917967.4178.3-0.1112.1E935 S947 V948 V949 A954 Q955E935-R951 IonicContact OE1-CZ 3.97Å; E935-R951 IonicContact OE1-NH1 2.64Å; E935-R951 IonicContact OE1-NH2 3.21Å; E935-R951 PolarHBondContact OE1-NH2 3.39Å; E935-R951 IonicContact OE2-CZ 3.43Å; E935-R951 IonicContact OE2-NH2 3.93Å; E935-R951 PolarHBondContact OE2-NH2 3.16Å; S947-R951 WeakPolarHBondContact O-CB 3.3Å; S947-R951 PolarHBondContact O-N 3.06Å; V948-R951 PolarHBondContact O-N 2.98Å; V949-R951 VanDerWaalsContact C-N 3.34Å; V949-R951 PolarHBondContact O-N 3.43Å; R951-A954 PolarHBondContact O-N 3.27Å; R951-Q955 WeakPolarHBondContact O-CG 3.41Å; R951-Q955 PolarHBondContact O-N 3.34Å
952R91.3Very high91Very high14 Ų1455 Ų555%0.05329%0.29CS..Hα-helixtrans-64-41.2-180-72.5-173.2176.5-130.8-9.6111.1Q900 T902 W903 E930 V948 V949 Q955 F956Q900-R952 PolarHBondContact O-NH1 3.42Å; Q900-R952 VanDerWaalsContact O-NH1 3.1Å; T902-R952 WeakPolarHBondContact O-CD 3.37Å; T902-R952 PolarHBondContact O-NH1 3.17Å; W903-R952 HydrophobicContact CB-CB 4.07Å; W903-R952 HydrophobicContact CE3-CB 4Å; E930-R952 IonicContact OE2-CZ 2.85Å; E930-R952 IonicContact OE2-NH1 3.55Å; E930-R952 PolarHBondContact OE2-NH1 3.41Å; E930-R952 IonicContact OE2-NH2 2.94Å; E930-R952 PolarHBondContact OE2-NH2 3.35Å; V948-R952 HydrophobicContact CG1-CG 4.4Å; V948-R952 WeakPolarHBondContact O-CB 3.28Å; V948-R952 PolarHBondContact O-N 3.18Å; V949-R952 PolarHBondContact O-N 3.2Å; R952-Q955 PolarHBondContact O-N 2.83Å; R952-F956 WeakPolarHBondContact O-CB 3.37Å; R952-F956 PolarHBondContact O-N 3.12Å
953K91.1Very high91Very high53 Ų5354.4 Ų54.423%0.2328%0.278CS..Hα-helixtrans-60.5-46173.9-172.6175.7-179179.60112W903 V949 F956 F957W903-K953 HydrophobicContact CE3-CB 4.25Å; W903-K953 HydrophobicContact CH2-CB 4.16Å; W903-K953 HydrophobicContact CH2-CG 4.07Å; W903-K953 HydrophobicContact CZ2-CB 4.39Å; W903-K953 HydrophobicContact CZ2-CG 4.27Å; W903-K953 HydrophobicContact CZ3-CB 4.09Å; W903-K953 HydrophobicContact CZ3-CG 4.46Å; V949-K953 WeakPolarHBondContact O-CB 3.42Å; V949-K953 PolarHBondContact O-N 3.07Å; K953-F956 WeakPolarHBondContact O-CB 3.28Å; K953-F956 PolarHBondContact O-N 3.21Å; K953-F957 HydrophobicContact CD-CE2 4.46Å; K953-F957 HydrophobicContact CG-CD2 3.94Å; K953-F957 HydrophobicContact CG-CE2 3.78Å; K953-F957 VanDerWaalsContact O-CD2 3.27Å; K953-F957 WeakPolarHBondContact O-CD2 3.47Å; K953-F957 PolarHBondContact O-N 2.75Å
954A92Very high90.8Very high16 Ų1652.5 Ų52.513%0.13226%0.261CS..Hα-helixtrans-63.1-41.4176.200000112.5F837 R950 R951 F957 R958F837-A954 HydrophobicContact CB-CB 4.21Å; F837-A954 VanDerWaalsContact O-CB 3.29Å; F837-A954 WeakPolarHBondContact O-CB 3.46Å; R950-A954 WeakPolarHBondContact O-CB 3.44Å; R950-A954 PolarHBondContact O-N 3.16Å; R951-A954 PolarHBondContact O-N 3.27Å; A954-F957 PolarHBondContact O-N 3.24Å; A954-R958 WeakPolarHBondContact O-CB 3.47Å; A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.37Å; A954-R958 PolarHBondContact O-N 3.38Å
955Q92Very high90.5Very high84 Ų8453.6 Ų53.639%0.39327%0.267SS..Hα-helixtrans-63-42.8174.6-74.1172.4-22.800111.8L901 R951 R952 R958 A959L901-Q955 HydrophobicContact CD2-CB 3.98Å; R951-Q955 WeakPolarHBondContact O-CG 3.41Å; R951-Q955 PolarHBondContact O-N 3.34Å; R952-Q955 PolarHBondContact O-N 2.83Å; Q955-R958 PolarHBondContact O-N 2.74Å; Q955-A959 WeakPolarHBondContact O-CB 3.44Å; Q955-A959 PolarHBondContact O-N 2.58Å
956F92.5Very high90.5Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-57.3-51.5175.2171.2-108.1000112.1L866 M869 L870 F898 L901 W903 R952 K953 R958 A959 L960L866-F956 HydrophobicContact CD2-CE2 4.13Å; M869-F956 HydrophobicContact CB-CD2 4.13Å; M869-F956 HydrophobicContact CB-CE2 3.37Å; M869-F956 HydrophobicContact CB-CZ 3.59Å; M869-F956 HydrophobicContact CE-CD2 4.1Å; M869-F956 HydrophobicContact CE-CE2 4.42Å; M869-F956 HydrophobicContact CG-CE2 3.98Å; L870-F956 HydrophobicContact CD2-CE1 3.99Å; L870-F956 HydrophobicContact CD2-CZ 4.16Å; L870-F956 HydrophobicContact CG-CZ 4.25Å; F898-F956 HydrophobicContact CD1-CD2 4.27Å; F898-F956 HydrophobicContact CD1-CE2 4.25Å; L901-F956 HydrophobicContact CB-CB 4.18Å; L901-F956 HydrophobicContact CD1-CB 4.2Å; L901-F956 HydrophobicContact CD1-CD2 4.48Å; W903-F956 HydrophobicContact CH2-CD1 4.15Å; W903-F956 HydrophobicContact CH2-CG 4.48Å; W903-F956 HydrophobicContact CZ3-CB 3.91Å; W903-F956 HydrophobicContact CZ3-CD1 4.3Å; W903-F956 HydrophobicContact CZ3-CG 4.2Å; R952-F956 WeakPolarHBondContact O-CB 3.37Å; R952-F956 PolarHBondContact O-N 3.12Å; K953-F956 WeakPolarHBondContact O-CB 3.28Å; K953-F956 PolarHBondContact O-N 3.21Å; F956-R958 VanDerWaalsContact C-N 3.34Å; F956-R958 PolarHBondContact O-N 2.66Å; F956-A959 PolarHBondContact O-N 2.97Å; F956-L960 HydrophobicContact CE1-CD2 4.15Å; F956-L960 HydrophobicContact CZ-CD2 4.01Å; F956-L960 VanDerWaalsContact O-CB 3.26Å; F956-L960 WeakPolarHBondContact O-CB 3.24Å; F956-L960 PolarHBondContact O-N 3.07Å
957F92.9Very high90.5Very high2 Ų250.5 Ų50.51%0.00925%0.253CS..Hα-helixtrans-67.5-31.5179.4-78.8-74.4000113.4L827 L830 F837 L841 F846 M854 K953 A954 L960 F961L827-F957 HydrophobicContact CD2-CD1 4.3Å; L830-F957 HydrophobicContact CD1-CD1 4.28Å; L830-F957 HydrophobicContact CD1-CE1 3.89Å; F837-F957 HydrophobicContact CD1-CB 3.55Å; F837-F957 HydrophobicContact CD1-CG 4.14Å; F837-F957 HydrophobicContact CD2-CB 4.1Å; F837-F957 HydrophobicContact CE1-CB 3.51Å; F837-F957 HydrophobicContact CE1-CD1 4.22Å; F837-F957 AromaticContact CE1-CG 3.98Å; F837-F957 HydrophobicContact CE1-CG 3.98Å; F837-F957 HydrophobicContact CE2-CB 4.06Å; F837-F957 HydrophobicContact CG-CB 3.85Å; F837-F957 HydrophobicContact CZ-CB 3.77Å; L841-F957 HydrophobicContact CD1-CD2 3.84Å; L841-F957 HydrophobicContact CD1-CE1 4.27Å; L841-F957 HydrophobicContact CD1-CE2 3.47Å; L841-F957 VanDerWaalsContact CD1-CE2 3.47Å; L841-F957 HydrophobicContact CD1-CG 4.41Å; L841-F957 HydrophobicContact CD1-CZ 3.7Å; F846-F957 AromaticContact CE1-CZ 3.93Å; F846-F957 HydrophobicContact CE1-CZ 3.93Å; F846-F957 HydrophobicContact CZ-CE1 4.41Å; F846-F957 AromaticContact CZ-CZ 3.94Å; F846-F957 HydrophobicContact CZ-CZ 3.94Å; M854-F957 HydrophobicContact CE-CE1 4.45Å; K953-F957 HydrophobicContact CD-CE2 4.46Å; K953-F957 HydrophobicContact CG-CD2 3.94Å; K953-F957 HydrophobicContact CG-CE2 3.78Å; K953-F957 VanDerWaalsContact O-CD2 3.27Å; K953-F957 WeakPolarHBondContact O-CD2 3.47Å; K953-F957 PolarHBondContact O-N 2.75Å; A954-F957 PolarHBondContact O-N 3.24Å; F957-L960 HydrophobicContact CD1-CD2 4.37Å; F957-F961 VanDerWaalsContact O-CB 3.31Å; F957-F961 WeakPolarHBondContact O-CB 3.36Å; F957-F961 PolarHBondContact O-N 2.76Å
958R92.4Very high90.6Very high111 Ų11150.2 Ų50.242%0.41925%0.246SC..Hα-helixtrans-67.9-42.9172.5-73.6176.1-172.3141.66.6112.4C836 F837 A954 Q955 F956 L960 F961 S962C836-R958 PolarHBondContact O-NE 2.74Å; C836-R958 VanDerWaalsContact O-NE 3.1Å; C836-R958 PolarHBondContact O-NH2 3.29Å; C836-R958 VanDerWaalsContact O-NH2 3.07Å; F837-R958 HydrophobicContact CB-CG 4.47Å; F837-R958 HydrophobicContact CD2-CG 3.68Å; F837-R958 HydrophobicContact CE2-CG 4.46Å; F837-R958 HydrophobicContact CG-CG 4.48Å; F837-R958 PolarHBondContact O-NH2 3.36Å; F837-R958 VanDerWaalsContact O-NH2 3.13Å; A954-R958 WeakPolarHBondContact O-CB 3.47Å; A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.37Å; A954-R958 PolarHBondContact O-N 3.38Å; Q955-R958 PolarHBondContact O-N 2.74Å; F956-R958 VanDerWaalsContact C-N 3.34Å; F956-R958 PolarHBondContact O-N 2.66Å; R958-L960 VanDerWaalsContact C-N 3.34Å; R958-F961 PolarHBondContact O-N 3.33Å; R958-S962 PolarHBondContact O-N 3.39Å
959A91.1Very high90.5Very high30 Ų3052.7 Ų52.725%0.24826%0.257CS..Hα-helixtrans-64.3-42.3175.300000110.9F898 L901 Q955 F956 S962 F963F898-A959 HydrophobicContact CE1-CB 3.99Å; L901-A959 HydrophobicContact CD1-CB 4.15Å; Q955-A959 WeakPolarHBondContact O-CB 3.44Å; Q955-A959 PolarHBondContact O-N 2.58Å; F956-A959 PolarHBondContact O-N 2.97Å; A959-S962 PolarHBondContact O-N 3.01Å; A959-F963 WeakPolarHBondContact O-CB 3.3Å; A959-F963 PolarHBondContact O-N 3.1Å
960L91.7Very high90.6Very high0 Ų053.1 Ų53.10%026%0.256CS..Hα-helixtrans-63.5-42.5175.5-174.260.2000111.8L827 M854 L866 L870 F956 F957 R958 F963 F964L827-L960 HydrophobicContact CD1-CG 3.93Å; L827-L960 HydrophobicContact CD2-CB 4.45Å; L827-L960 HydrophobicContact CD2-CD2 3.66Å; L827-L960 HydrophobicContact CD2-CG 3.8Å; M854-L960 HydrophobicContact CE-CD2 4.25Å; L866-L960 HydrophobicContact CD1-CD1 3.57Å; L866-L960 HydrophobicContact CD2-CD1 3.81Å; L866-L960 HydrophobicContact CG-CD1 4.26Å; L870-L960 HydrophobicContact CD2-CD2 4.42Å; F956-L960 HydrophobicContact CE1-CD2 4.15Å; F956-L960 HydrophobicContact CZ-CD2 4.01Å; F956-L960 VanDerWaalsContact O-CB 3.26Å; F956-L960 WeakPolarHBondContact O-CB 3.24Å; F956-L960 PolarHBondContact O-N 3.07Å; F957-L960 HydrophobicContact CD1-CD2 4.37Å; R958-L960 VanDerWaalsContact C-N 3.34Å; L960-F963 WeakPolarHBondContact O-CB 3.41Å; L960-F963 PolarHBondContact O-N 3.07Å; L960-F964 HydrophobicContact CD1-CD2 3.83Å; L960-F964 HydrophobicContact CD1-CE2 3.58Å; L960-F964 HydrophobicContact CG-CD2 4.39Å; L960-F964 WeakPolarHBondContact O-CD2 3.11Å; L960-F964 PolarHBondContact O-N 3.46Å
961F91.5Very high90.7Very high34 Ų3449.5 Ų49.515%0.14925%0.246CC..Hα-helixtrans-60-51.5175.1-172.5-85.6000111.2L827 E828 M831 F837 F957 R958 F963 F964 V965L827-F961 HydrophobicContact CB-CD2 3.91Å; E828-F961 HydrophobicContact CG-CE2 3.9Å; E828-F961 HydrophobicContact CG-CZ 4.32Å; M831-F961 HydrophobicContact CB-CD2 4.35Å; M831-F961 HydrophobicContact CB-CE2 4.21Å; M831-F961 HydrophobicContact CE-CB 4.36Å; M831-F961 HydrophobicContact CE-CD1 3.39Å; M831-F961 HydrophobicContact CE-CD2 3.46Å; M831-F961 VanDerWaalsContact CE-CD2 3.46Å; M831-F961 HydrophobicContact CE-CE1 3.34Å; M831-F961 HydrophobicContact CE-CE2 3.43Å; M831-F961 VanDerWaalsContact CE-CE2 3.43Å; M831-F961 HydrophobicContact CE-CG 3.45Å; M831-F961 VanDerWaalsContact CE-CG 3.45Å; M831-F961 HydrophobicContact CE-CZ 3.37Å; M831-F961 HydrophobicContact SD-CD2 4.24Å; M831-F961 HydrophobicContact SD-CE1 4.09Å; M831-F961 HydrophobicContact SD-CE2 3.66Å; M831-F961 HydrophobicContact SD-CZ 3.57Å; M831-F961 VanDerWaalsContact SD-CZ 3.57Å; F837-F961 HydrophobicContact CE2-CB 4.28Å; F957-F961 VanDerWaalsContact O-CB 3.31Å; F957-F961 WeakPolarHBondContact O-CB 3.36Å; F957-F961 PolarHBondContact O-N 2.76Å; R958-F961 PolarHBondContact O-N 3.33Å; F961-F963 PolarHBondContact O-N 3.3Å; F961-F963 VanDerWaalsContact O-N 3.13Å; F961-F964 PolarHBondContact O-N 3.15Å; F961-F964 VanDerWaalsContact O-N 3.11Å; F961-V965 HydrophobicContact CD1-CB 4.04Å; F961-V965 HydrophobicContact CD2-CG2 4.27Å; F961-V965 HydrophobicContact CE1-CB 3.61Å; F961-V965 HydrophobicContact CE1-CG1 3.71Å; F961-V965 HydrophobicContact CE1-CG2 4.23Å; F961-V965 HydrophobicContact CE2-CB 4.22Å; F961-V965 HydrophobicContact CE2-CG1 4.46Å; F961-V965 HydrophobicContact CE2-CG2 3.91Å; F961-V965 HydrophobicContact CZ-CB 3.71Å; F961-V965 HydrophobicContact CZ-CG1 3.63Å; F961-V965 HydrophobicContact CZ-CG2 3.9Å; F961-V965 PolarHBondContact O-N 3.41Å
962S90.4Very high90.6Very high90 Ų9045.1 Ų45.163%0.62923%0.234SC*.Hα-helixtrans-61.9-19.8177.9-176.90000114R958 A959R958-S962 PolarHBondContact O-N 3.39Å; A959-S962 PolarHBondContact O-N 3.01Å
963F89.1Confident90.6Very high80 Ų8047.5 Ų47.535%0.35125%0.248SC..Hα-helixtrans-80.8-32.7177.1-179.6-97.9000112.3Y863 L866 D893 F898 A959 L960 F961Y863-F963 HydrophobicContact CD2-CE1 4.23Å; Y863-F963 HydrophobicContact CE1-CE1 4.46Å; Y863-F963 HydrophobicContact CE1-CZ 4.35Å; Y863-F963 AromaticContact CE2-CE1 3.78Å; Y863-F963 HydrophobicContact CE2-CE1 3.78Å; Y863-F963 HydrophobicContact CE2-CZ 4.44Å; Y863-F963 AromaticContact CZ-CE1 3.92Å; L866-F963 HydrophobicContact CD1-CD1 4.28Å; L866-F963 HydrophobicContact CD1-CE1 4.25Å; D893-F963 HydrophobicContact CB-CZ 4.4Å; F898-F963 HydrophobicContact CZ-CB 4.49Å; A959-F963 WeakPolarHBondContact O-CB 3.3Å; A959-F963 PolarHBondContact O-N 3.1Å; L960-F963 WeakPolarHBondContact O-CB 3.41Å; L960-F963 PolarHBondContact O-N 3.07Å; F961-F963 PolarHBondContact O-N 3.3Å; F961-F963 VanDerWaalsContact O-N 3.13Å
964F87.8Confident90.5Very high34 Ų3447.1 Ų47.115%0.14925%0.249CC..Hα-helixtrans-101.4-24.7-177.8-80.1-82.4000114.5M823 L827 L861 Y863 L866 L960 F961M823-F964 HydrophobicContact CB-CD1 4.08Å; M823-F964 HydrophobicContact CB-CE1 3.86Å; M823-F964 HydrophobicContact CB-CZ 4.15Å; M823-F964 HydrophobicContact CE-CE2 4.44Å; M823-F964 HydrophobicContact CE-CZ 4.28Å; M823-F964 HydrophobicContact CG-CD1 3.94Å; M823-F964 HydrophobicContact CG-CD2 3.81Å; M823-F964 HydrophobicContact CG-CE1 3.73Å; M823-F964 HydrophobicContact CG-CE2 3.61Å; M823-F964 HydrophobicContact CG-CG 3.98Å; M823-F964 HydrophobicContact CG-CZ 3.56Å; L827-F964 HydrophobicContact CD1-CB 3.87Å; L827-F964 HydrophobicContact CD1-CD2 3.67Å; L827-F964 HydrophobicContact CD1-CG 4Å; L861-F964 HydrophobicContact CD1-CE1 4Å; L861-F964 HydrophobicContact CD1-CZ 4.31Å; Y863-F964 HydrophobicContact CD2-CE1 4.37Å; Y863-F964 AromaticContact CD2-CZ 3.66Å; Y863-F964 HydrophobicContact CD2-CZ 3.66Å; Y863-F964 AromaticContact CE2-CE1 3.8Å; Y863-F964 HydrophobicContact CE2-CE1 3.8Å; Y863-F964 AromaticContact CE2-CZ 3.51Å; Y863-F964 HydrophobicContact CE2-CZ 3.51Å; L866-F964 HydrophobicContact CD1-CE2 3.99Å; L866-F964 HydrophobicContact CD1-CZ 4.48Å; L960-F964 HydrophobicContact CD1-CD2 3.83Å; L960-F964 HydrophobicContact CD1-CE2 3.58Å; L960-F964 HydrophobicContact CG-CD2 4.39Å; L960-F964 WeakPolarHBondContact O-CD2 3.11Å; L960-F964 PolarHBondContact O-N 3.46Å; F961-F964 PolarHBondContact O-N 3.15Å; F961-F964 VanDerWaalsContact O-N 3.11Å
965V83.1Confident90.4Very high84 Ų8449.9 Ų49.951%0.50926%0.26SS..  trans-1270-174.6-171.60000109.5K824 F961K824-V965 HydrophobicContact CB-CG2 4.41Å; K824-V965 HydrophobicContact CD-CG2 4.19Å; K824-V965 HydrophobicContact CG-CG2 3.81Å; F961-V965 HydrophobicContact CD1-CB 4.04Å; F961-V965 HydrophobicContact CD2-CG2 4.27Å; F961-V965 HydrophobicContact CE1-CB 3.61Å; F961-V965 HydrophobicContact CE1-CG1 3.71Å; F961-V965 HydrophobicContact CE1-CG2 4.23Å; F961-V965 HydrophobicContact CE2-CB 4.22Å; F961-V965 HydrophobicContact CE2-CG1 4.46Å; F961-V965 HydrophobicContact CE2-CG2 3.91Å; F961-V965 HydrophobicContact CZ-CB 3.71Å; F961-V965 HydrophobicContact CZ-CG1 3.63Å; F961-V965 HydrophobicContact CZ-CG2 3.9Å; F961-V965 PolarHBondContact O-N 3.41Å

Retrieved 965 of 965 residues in 288.7 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).