A0A096M2T6_POEFO Loading...

Sodium-independent sulfate anion transporter

Sodium-independent anion exchanger mediating bicarbonate, chloride, sulfate and oxalate transport. Exhibits sodium-independent sulfate anion transporter activity that may cooperate with SLC26A2 to mediate DIDS-sensitive sulfate uptake into high endothelial venules endothelial cells (HEVEC). In the kidney, mediates chloride-bicarbonate exchange, facilitating V-ATPase-mediated acid secretion. May function as a chloride channel, playing an important role in moderating chloride homeostasis and neuronal activity in the cerebellum.

AlphaFold DB , UniProt , Accession A0A096M2T6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 530 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
1M45Very low44.7Very low76 Ų7624.5 Ų24.537%0.37413%0.129SC..  0-61.50-66.7-179.9178.400113S3 I4 R5 V194 F342 I345 L350M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.84Å; M1-I4 WeakPolarHBondContact O-CB 3.17Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; M1-R5 PolarHBondContact O-N 3.32Å; M1-R5 VanDerWaalsContact O-N 3.14Å; M1-V194 HydrophobicContact CE-CG1 4.02Å; M1-V194 HydrophobicContact SD-CB 4.13Å; M1-V194 HydrophobicContact SD-CG1 3.41Å; M1-V194 WeakPolarHBondContact SD-CG1 3.25Å; M1-F342 HydrophobicContact CE-CD1 4.23Å; M1-F342 HydrophobicContact CE-CE1 3.66Å; M1-F342 HydrophobicContact CE-CZ 4.45Å; M1-F342 HydrophobicContact CG-CE1 4.26Å; M1-F342 HydrophobicContact CG-CZ 4.32Å; M1-I345 HydrophobicContact CE-CD1 3.88Å; M1-I345 HydrophobicContact CG-CD1 3.98Å; M1-I345 HydrophobicContact SD-CD1 4.23Å; M1-L350 HydrophobicContact CB-CD2 4.14Å
2L47.5Very low44Very low27 Ų2731.5 Ų31.514%0.14116%0.161CC..Hα-helixtrans-62.8-34.3178.9-72.1156.8000114.1R5 N6 R309 V312 I354L2-R5 PolarHBondContact O-N 3.07Å; L2-N6 PolarHBondContact O-N 3.32Å; L2-R309 HydrophobicContact CB-CG 3.76Å; L2-R309 HydrophobicContact CD1-CG 4.47Å; L2-V312 HydrophobicContact CD1-CB 3.96Å; L2-V312 HydrophobicContact CD1-CG1 4.21Å; L2-V312 HydrophobicContact CD1-CG2 3.73Å; L2-I354 HydrophobicContact CD2-CD1 3.55Å; L2-I354 HydrophobicContact CD2-CG1 3.4Å
3S45.7Very low43.2Very low14 Ų1434.7 Ų34.710%0.09818%0.183CC..Hα-helixtrans-64.2-39.5173.7-53.10000112.4M1 R5 N6 V7 A27 R309M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.84Å; S3-R5 VanDerWaalsContact C-N 3.28Å; S3-R5 PolarHBondContact O-N 3.43Å; S3-N6 PolarHBondContact O-N 3.12Å; S3-V7 WeakPolarHBondContact O-CB 3.43Å; S3-V7 WeakPolarHBondContact O-CG2 3.31Å; S3-V7 PolarHBondContact O-N 2.97Å; S3-A27 VanDerWaalsContact CB-CB 3.46Å; S3-R309 WeakPolarHBondContact OG-CD 3.14Å
4I45.3Very low42.6Very low9 Ų938.7 Ų38.75%0.04620%0.204CC..Hα-helixtrans-60.5-43.5174-59.9157.9000109.2M1 Y8 L24 T215 F342M1-I4 WeakPolarHBondContact O-CB 3.17Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; I4-Y8 HydrophobicContact CG2-CD2 3.87Å; I4-Y8 HydrophobicContact CG2-CE2 3.95Å; I4-Y8 WeakPolarHBondContact O-CB 3.49Å; I4-Y8 WeakPolarHBondContact O-CD2 3.3Å; I4-Y8 PolarHBondContact O-N 2.84Å; I4-L24 HydrophobicContact CB-CD2 4.16Å; I4-L24 HydrophobicContact CD1-CD2 4.47Å; I4-L24 HydrophobicContact CG1-CD2 3.31Å; I4-L24 HydrophobicContact CG1-CG 4.49Å; I4-T215 HydrophobicContact CG2-CG2 3.84Å; I4-F342 HydrophobicContact CD1-CB 4.43Å; I4-F342 HydrophobicContact CD1-CD2 3.14Å; I4-F342 HydrophobicContact CD1-CE2 3.4Å; I4-F342 VanDerWaalsContact CD1-CE2 3.4Å; I4-F342 HydrophobicContact CD1-CG 3.98Å; I4-F342 HydrophobicContact CD1-CZ 4.42Å
5R51Low42.3Very low18 Ų1838.8 Ų38.87%0.06821%0.208CC..Hα-helixtrans-65.5-50.3178.6-171.6-168.8-173.6151.919.4113.7M1 L2 S3 V7 Y8 S9 N115 L350M1-R5 PolarHBondContact O-N 3.32Å; M1-R5 VanDerWaalsContact O-N 3.14Å; L2-R5 PolarHBondContact O-N 3.07Å; S3-R5 VanDerWaalsContact C-N 3.28Å; S3-R5 PolarHBondContact O-N 3.43Å; R5-V7 PolarHBondContact O-N 3.47Å; R5-Y8 CarbonylContact O-C 3.5Å; R5-Y8 PolarHBondContact O-N 3.45Å; R5-S9 WeakPolarHBondContact O-CB 3.42Å; R5-S9 PolarHBondContact O-N 3.02Å; R5-S9 PolarHBondContact O-OG 3.07Å; R5-S9 VanDerWaalsContact O-OG 3.09Å; R5-N115 VanDerWaalsContact NH2-CG 3.35Å; R5-N115 PolarHBondContact NH2-ND2 3.35Å; R5-L350 HydrophobicContact CB-CD1 4.27Å; R5-L350 PolarHBondContact NH1-O 2.97Å
6N49.2Very low42.3Very low23 Ų2342.8 Ų42.812%0.12324%0.24CC..Hα-helixtrans-57-41.3-178-80.4-0.6000110.7L2 S3 S9 S10 P47 S306L2-N6 PolarHBondContact O-N 3.32Å; S3-N6 PolarHBondContact O-N 3.12Å; N6-S9 WeakPolarHBondContact CA-OG 3.19Å; N6-S9 PolarHBondContact O-OG 3.4Å; N6-S9 VanDerWaalsContact O-OG 3.05Å; N6-S10 PolarHBondContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 3.22Å; N6-P47 PolarHBondContact ND2-O 3.43Å; N6-S306 PolarHBondContact ND2-OG 3.05Å
7V47.2Very low42.9Very low1 Ų143.6 Ų43.61%0.00626%0.261CS..Hα-helixtrans-62.4-48.8175.5172.80000110.5S3 R5 Q11 S20 G23 P47S3-V7 WeakPolarHBondContact O-CB 3.43Å; S3-V7 WeakPolarHBondContact O-CG2 3.31Å; S3-V7 PolarHBondContact O-N 2.97Å; R5-V7 PolarHBondContact O-N 3.47Å; V7-Q11 HydrophobicContact CG1-CG 4.5Å; V7-Q11 WeakPolarHBondContact O-CB 3.43Å; V7-Q11 WeakPolarHBondContact O-CG 3.16Å; V7-Q11 PolarHBondContact O-N 3.42Å; V7-S20 WeakPolarHBondContact CG1-O 3.15Å; V7-G23 WeakPolarHBondContact CG2-O 3.07Å; V7-P47 HydrophobicContact CG2-CB 3.81Å; V7-P47 HydrophobicContact CG2-CG 3.6Å
8Y44Very low43.6Very low37 Ų3752.4 Ų52.415%0.14529%0.289CS..Hα-helixtrans-70.1-35.6179.6-86-106.6000113.1I4 R5 Q11 Q12 S20 H217 T218I4-Y8 HydrophobicContact CG2-CD2 3.87Å; I4-Y8 HydrophobicContact CG2-CE2 3.95Å; I4-Y8 WeakPolarHBondContact O-CB 3.49Å; I4-Y8 WeakPolarHBondContact O-CD2 3.3Å; I4-Y8 PolarHBondContact O-N 2.84Å; R5-Y8 CarbonylContact O-C 3.5Å; R5-Y8 PolarHBondContact O-N 3.45Å; Y8-Q11 PolarHBondContact O-N 3.32Å; Y8-Q12 VanDerWaalsContact O-CB 3.28Å; Y8-Q12 WeakPolarHBondContact O-CB 3.34Å; Y8-Q12 PolarHBondContact O-N 3.02Å; Y8-S20 WeakPolarHBondContact CD2-OG 3.32Å; Y8-S20 WeakPolarHBondContact CE2-OG 3.26Å; Y8-H217 PolarHBondContact OH-O 3.31Å; Y8-T218 HydrophobicContact CE2-CG2 4.39Å; Y8-T218 PolarHBondContact OH-OG1 3.38Å
9S42.6Very low44.6Very low37 Ų3750.1 Ų50.126%0.25928%0.275SS..Hα-helixtrans-67.3-38.6-17855.40000113R5 N6 H124R5-S9 WeakPolarHBondContact O-CB 3.42Å; R5-S9 PolarHBondContact O-N 3.02Å; R5-S9 PolarHBondContact O-OG 3.07Å; R5-S9 VanDerWaalsContact O-OG 3.09Å; N6-S9 WeakPolarHBondContact CA-OG 3.19Å; N6-S9 PolarHBondContact O-OG 3.4Å; N6-S9 VanDerWaalsContact O-OG 3.05Å; S9-H124 PolarHBondContact O-CE1 2.86Å; S9-H124 PolarHBondContact O-NE2 3.38Å
10S37.8Very low45.7Very low14 Ų1448 Ų4810%0.09826%0.264CS..Hα-helixtrans-78.4-24.1174.232.90000113.1N6 S52N6-S10 PolarHBondContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 3.22Å; S10-S52 WeakPolarHBondContact OG-CB 3.28Å; S10-S52 PolarHBondContact OG-OG 3.4Å; S10-S52 VanDerWaalsContact OG-OG 3.1Å
11Q36.3Very low47.1Very low13 Ų1347.6 Ų47.66%0.06126%0.26CS..Hα-helixtrans-94.2-21.9-174.5-66.3-84.4-59.500114.4V7 Y8 T13 L14 C15V7-Q11 HydrophobicContact CG1-CG 4.5Å; V7-Q11 WeakPolarHBondContact O-CB 3.43Å; V7-Q11 WeakPolarHBondContact O-CG 3.16Å; V7-Q11 PolarHBondContact O-N 3.42Å; Y8-Q11 PolarHBondContact O-N 3.32Å; Q11-T13 PolarHBondContact O-N 3.25Å; Q11-T13 VanDerWaalsContact O-N 3.11Å; Q11-L14 PolarHBondContact O-N 2.94Å; Q11-C15 PolarHBondContact O-N 3.28Å
12Q36.5Very low48.6Very low109 Ų10945.9 Ų45.951%0.50925%0.25SS..THydrogen-bonded Turntrans-61.5-24.1-173.1-142.8133.84300113.5Y8Y8-Q12 VanDerWaalsContact O-CB 3.28Å; Y8-Q12 WeakPolarHBondContact O-CB 3.34Å; Y8-Q12 PolarHBondContact O-N 3.02Å
13T33.6Very low50Low73 Ų7344.6 Ų44.645%0.44824%0.243SC..THydrogen-bonded Turntrans-93.2-18.4-179.120.40000114.4Q11 H124Q11-T13 PolarHBondContact O-N 3.25Å; Q11-T13 VanDerWaalsContact O-N 3.11Å; T13-H124 PolarHBondContact OG1-NE2 3.19Å
14L35.1Very low51.6Low91 Ų9144.1 Ų44.148%0.47624%0.24SC..THydrogen-bonded Turntrans-133-13.5-163.1-110.678000117.4Q11 F56Q11-L14 PolarHBondContact O-N 2.94Å; L14-F56 HydrophobicContact CD2-CD1 3.55Å; L14-F56 HydrophobicContact CD2-CE1 3.43Å; L14-F56 VanDerWaalsContact CD2-CE1 3.43Å; L14-F56 HydrophobicContact CD2-CG 4.33Å; L14-F56 HydrophobicContact CD2-CZ 4.11Å; L14-F56 HydrophobicContact CG-CE1 4.3Å
15C37.7Very low53.5Low40 Ų4044.3 Ų44.327%0.2724%0.24SC..  trans-139.8144.3-167.2-66.20000117.6Q11 F19 F56Q11-C15 PolarHBondContact O-N 3.28Å; C15-F19 HydrophobicContact CB-CB 4.18Å; C15-F56 WeakPolarHBondContact SG-CD2 3.41Å; C15-F56 WeakPolarHBondContact SG-CE2 3.14Å
16S43Very low55.2Low102 Ų10243.5 Ų43.571%0.71324%0.237SC*.  trans-53.2138.5159.8-50.40000111.8R18 F19S16-R18 PolarHBondContact O-N 3.18Å; S16-F19 PolarHBondContact O-N 3.47Å
17G52.7Low56.9Low58 Ų5842.8 Ų42.860%0.59823%0.234SC*.THydrogen-bonded Turntrans-53-12.2-170.100000118.2
18R55.1Low58.9Low202 Ų20243.1 Ų43.176%0.76224%0.236SC*.Hα-helixtrans-65.7-37.8174.9-68.6-173-168.1179.24.3113.3S16 S20 Q21 Y22S16-R18 PolarHBondContact O-N 3.18Å; R18-S20 VanDerWaalsContact C-N 3.32Å; R18-S20 PolarHBondContact O-N 2.88Å; R18-Q21 WeakPolarHBondContact O-CB 3.34Å; R18-Q21 PolarHBondContact O-N 3.18Å; R18-Y22 WeakPolarHBondContact O-CD2 3.42Å
19F62.3Low61.2Low7 Ų742.5 Ų42.53%0.03124%0.235CC..Hα-helixtrans-72.5-28.6-177.7-165.2-66.8000111.8C15 S16 Q21 Y22 G23 F56 A66 Y301C15-F19 HydrophobicContact CB-CB 4.18Å; S16-F19 PolarHBondContact O-N 3.47Å; F19-Q21 VanDerWaalsContact C-N 3.25Å; F19-Q21 PolarHBondContact O-N 2.74Å; F19-Y22 PolarHBondContact O-N 3.04Å; F19-G23 PolarHBondContact O-N 2.9Å; F19-F56 HydrophobicContact CE2-CD2 4.48Å; F19-A66 HydrophobicContact CE2-CB 4.4Å; F19-Y301 HydrophobicContact CE1-CD1 4.28Å; F19-Y301 HydrophobicContact CE1-CE1 4.29Å
20S65.9Low63.5Low8 Ų840.8 Ų40.86%0.05622%0.222CC..Hα-helixtrans-57.7-36.5172.8-172.60000112.6V7 Y8 R18 Y22 G23 L24V7-S20 WeakPolarHBondContact CG1-O 3.15Å; Y8-S20 WeakPolarHBondContact CD2-OG 3.32Å; Y8-S20 WeakPolarHBondContact CE2-OG 3.26Å; R18-S20 VanDerWaalsContact C-N 3.32Å; R18-S20 PolarHBondContact O-N 2.88Å; S20-Y22 PolarHBondContact O-N 3.31Å; S20-G23 PolarHBondContact O-N 2.86Å; S20-L24 PolarHBondContact O-N 3.49Å
21Q74.8Confident66.1Low40 Ų4040.6 Ų40.619%0.18722%0.223CC..Hα-helixtrans-63.5-40.3179.1-170.6168.1-0.900112.9R18 F19 G23 L24 Y25 T219R18-Q21 WeakPolarHBondContact O-CB 3.34Å; R18-Q21 PolarHBondContact O-N 3.18Å; F19-Q21 VanDerWaalsContact C-N 3.25Å; F19-Q21 PolarHBondContact O-N 2.74Å; Q21-G23 VanDerWaalsContact C-N 3.25Å; Q21-G23 PolarHBondContact O-N 2.78Å; Q21-L24 WeakPolarHBondContact O-CB 3.33Å; Q21-L24 PolarHBondContact O-N 3.05Å; Q21-L24 VanDerWaalsContact O-N 3.1Å; Q21-Y25 HydrophobicContact CG-CD2 4.49Å; Q21-Y25 HydrophobicContact CG-CE1 4.03Å; Q21-Y25 HydrophobicContact CG-CE2 3.81Å; Q21-Y25 PolarHBondContact NE2-OH 3.43Å; Q21-Y25 PolarHBondContact O-N 3.16Å; Q21-Y25 VanDerWaalsContact O-N 3.14Å; Q21-T219 WeakPolarHBondContact CG-OG1 3.31Å; Q21-T219 PolarHBondContact OE1-OG1 3Å
22Y78.2Confident68.9Low40 Ų4043 Ų4316%0.15723%0.233CC..Hα-helixtrans-65.2-31.6178.8-74.3-108000111.7R18 F19 S20 L24 Y25 S26 P63 V67 S299R18-Y22 WeakPolarHBondContact O-CD2 3.42Å; F19-Y22 PolarHBondContact O-N 3.04Å; S20-Y22 PolarHBondContact O-N 3.31Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 3.36Å; Y22-Y25 PolarHBondContact O-N 2.88Å; Y22-S26 PolarHBondContact O-N 2.83Å; Y22-S26 PolarHBondContact O-OG 3.42Å; Y22-P63 HydrophobicContact CD1-CB 4.15Å; Y22-P63 HydrophobicContact CD2-CB 3.92Å; Y22-P63 HydrophobicContact CE1-CB 3.91Å; Y22-P63 HydrophobicContact CE2-CB 3.66Å; Y22-P63 HydrophobicContact CE2-CG 4.26Å; Y22-P63 HydrophobicContact CG-CB 4.19Å; Y22-V67 HydrophobicContact CD1-CG2 3.88Å; Y22-V67 HydrophobicContact CE1-CG2 3.78Å; Y22-S299 WeakPolarHBondContact CD1-O 3.32Å
23G77.1Confident71.7Confident0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-67.1-33.5173.700000113.9V7 F19 S20 Q21 Y25 S26 P47V7-G23 WeakPolarHBondContact CG2-O 3.07Å; F19-G23 PolarHBondContact O-N 2.9Å; S20-G23 PolarHBondContact O-N 2.86Å; Q21-G23 VanDerWaalsContact C-N 3.25Å; Q21-G23 PolarHBondContact O-N 2.78Å; G23-Y25 VanDerWaalsContact C-N 3.35Å; G23-S26 WeakPolarHBondContact O-CB 3.38Å; G23-S26 PolarHBondContact O-N 3.15Å; G23-P47 WeakPolarHBondContact O-CG 3.37Å
24L78.1Confident74.5Confident4 Ų435.6 Ų35.62%0.02119%0.193CC..Hα-helixtrans-69.3-36.6173.5-81.2158.2000111.9I4 S20 Q21 Y22 S26 A27 T218 L335 M339I4-L24 HydrophobicContact CB-CD2 4.16Å; I4-L24 HydrophobicContact CD1-CD2 4.47Å; I4-L24 HydrophobicContact CG1-CD2 3.31Å; I4-L24 HydrophobicContact CG1-CG 4.49Å; S20-L24 PolarHBondContact O-N 3.49Å; Q21-L24 WeakPolarHBondContact O-CB 3.33Å; Q21-L24 PolarHBondContact O-N 3.05Å; Q21-L24 VanDerWaalsContact O-N 3.1Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 3.36Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 3.19Å; L24-T218 HydrophobicContact CD1-CG2 3.34Å; L24-L335 HydrophobicContact CB-CD2 3.88Å; L24-L335 HydrophobicContact CD2-CD2 3.96Å; L24-L335 HydrophobicContact CG-CD2 4.34Å; L24-M339 HydrophobicContact CD1-CE 4.07Å
25Y85.3Confident77.2Confident13 Ų1332.7 Ų32.75%0.05118%0.18CC..Hα-helixtrans-66.3-36.5174-60.6-17.3000112.4Q21 Y22 G23 A27 F28 P223 L335Q21-Y25 HydrophobicContact CG-CD2 4.49Å; Q21-Y25 HydrophobicContact CG-CE1 4.03Å; Q21-Y25 HydrophobicContact CG-CE2 3.81Å; Q21-Y25 PolarHBondContact NE2-OH 3.43Å; Q21-Y25 PolarHBondContact O-N 3.16Å; Q21-Y25 VanDerWaalsContact O-N 3.14Å; Y22-Y25 PolarHBondContact O-N 2.88Å; G23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-A27 PolarHBondContact O-N 2.8Å; Y25-F28 WeakPolarHBondContact O-CD1 3.49Å; Y25-F28 WeakPolarHBondContact O-CE1 3.32Å; Y25-P223 HydrophobicContact CD1-CB 3.85Å; Y25-P223 HydrophobicContact CD1-CG 4.31Å; Y25-P223 HydrophobicContact CD2-CB 3.93Å; Y25-P223 HydrophobicContact CE1-CB 4.08Å; Y25-P223 HydrophobicContact CE2-CB 4.13Å; Y25-P223 HydrophobicContact CG-CB 3.74Å; Y25-L335 HydrophobicContact CD1-CD1 4.24Å
26S86Confident79.9Confident1 Ų137.5 Ų37.51%0.00720%0.202CC..THydrogen-bonded Turntrans-62.4-11.7172.4-70.70000114.8Y22 G23 L24 A300 Y301 V303Y22-S26 PolarHBondContact O-N 2.83Å; Y22-S26 PolarHBondContact O-OG 3.42Å; G23-S26 WeakPolarHBondContact O-CB 3.38Å; G23-S26 PolarHBondContact O-N 3.15Å; L24-S26 VanDerWaalsContact C-N 3.34Å; S26-A300 WeakPolarHBondContact OG-CA 3.37Å; S26-A300 WeakPolarHBondContact OG-CB 3.45Å; S26-Y301 PolarHBondContact OG-N 3.12Å; S26-Y301 PolarHBondContact OG-O 2.95Å; S26-V303 VanDerWaalsContact CB-CG1 3.49Å; S26-V303 WeakPolarHBondContact O-CG1 3.25Å
27A85.1Confident82.3Confident8 Ų834.8 Ų34.87%0.06618%0.179CC..THydrogen-bonded Turntrans-86.2-17.1-168.100000116.2S3 L24 Y25 P47 V331S3-A27 VanDerWaalsContact CB-CB 3.46Å; L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.34Å; L24-A27 PolarHBondContact O-N 3.19Å; Y25-A27 PolarHBondContact O-N 2.8Å; A27-P47 HydrophobicContact CB-CG 4.43Å; A27-V331 HydrophobicContact CB-CG1 4.31Å
28F90Very high84.2Confident9 Ų932.6 Ų32.64%0.03916%0.157CC..THydrogen-bonded Turntrans-109.2-34.6-171.473.5-88.7000113.9Y25 G30 G31 F32 P223 V298 S328 V331 L332Y25-F28 WeakPolarHBondContact O-CD1 3.49Å; Y25-F28 WeakPolarHBondContact O-CE1 3.32Å; F28-G30 PolarHBondContact O-N 3.33Å; F28-G31 PolarHBondContact O-N 3.23Å; F28-G31 VanDerWaalsContact O-N 3.11Å; F28-F32 HydrophobicContact CD2-CD2 4.08Å; F28-F32 AromaticContact CD2-CE2 3.85Å; F28-F32 HydrophobicContact CD2-CE2 3.85Å; F28-P223 HydrophobicContact CE1-CB 4.5Å; F28-P223 HydrophobicContact CE1-CG 3.65Å; F28-P223 HydrophobicContact CZ-CG 3.71Å; F28-V298 HydrophobicContact CE1-CB 4.49Å; F28-V298 HydrophobicContact CE1-CG2 4.22Å; F28-V298 HydrophobicContact CE2-CG2 4.47Å; F28-V298 HydrophobicContact CZ-CB 3.82Å; F28-V298 HydrophobicContact CZ-CG1 4.02Å; F28-V298 HydrophobicContact CZ-CG2 3.68Å; F28-S328 WeakPolarHBondContact O-CB 3.33Å; F28-S328 PolarHBondContact O-OG 3.46Å; F28-V331 HydrophobicContact CB-CB 4.24Å; F28-V331 HydrophobicContact CB-CG1 3.95Å; F28-L332 HydrophobicContact CB-CG 4.27Å; F28-L332 HydrophobicContact CD1-CD2 3.9Å; F28-L332 HydrophobicContact CD2-CD1 4.01Å; F28-L332 HydrophobicContact CD2-CD2 3.84Å; F28-L332 HydrophobicContact CD2-CG 3.96Å; F28-L332 HydrophobicContact CE1-CD2 4.04Å; F28-L332 HydrophobicContact CE2-CD1 4.37Å; F28-L332 HydrophobicContact CE2-CD2 3.96Å; F28-L332 HydrophobicContact CE2-CG 4.47Å; F28-L332 HydrophobicContact CG-CD2 3.8Å; F28-L332 HydrophobicContact CG-CG 3.98Å; F28-L332 HydrophobicContact CZ-CD2 4.05Å
29M92.9Very high86Confident24 Ų2425.2 Ų25.212%0.11813%0.134CC..Hα-helixtrans-59.2-37.3-175-174.959.172.700111.6G31 F32 I33 M294 V298M29-G31 VanDerWaalsContact C-N 3.35Å; M29-G31 PolarHBondContact O-N 3.47Å; M29-F32 PolarHBondContact O-N 2.81Å; M29-I33 HydrophobicContact CG-CG1 4.22Å; M29-I33 PolarHBondContact O-N 3.39Å; M29-I33 HydrophobicContact SD-CD1 4.43Å; M29-I33 HydrophobicContact SD-CG1 4.09Å; M29-M294 HydrophobicContact CE-CB 4.47Å; M29-M294 HydrophobicContact CG-CB 4.01Å; M29-M294 HydrophobicContact SD-CB 3.92Å; M29-V298 HydrophobicContact CB-CG2 4.37Å; M29-V298 HydrophobicContact CE-CB 4.36Å; M29-V298 HydrophobicContact CE-CG1 3.69Å; M29-V298 HydrophobicContact CE-CG2 3.69Å
30G91.1Very high87.5Confident0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-52.3-46.5175.100000113.8F28 F32 I33 Y34 T291F28-G30 PolarHBondContact O-N 3.33Å; G30-F32 VanDerWaalsContact C-N 3.32Å; G30-F32 PolarHBondContact O-N 3.32Å; G30-I33 PolarHBondContact O-N 2.65Å; G30-Y34 WeakPolarHBondContact O-CA 3.34Å; G30-Y34 WeakPolarHBondContact O-CB 3.48Å; G30-Y34 PolarHBondContact O-N 2.9Å; G30-T291 VanDerWaalsContact CA-CG2 3.46Å
31G91.8Very high88.7Confident10 Ų1026.9 Ų26.910%0.10314%0.14CC..Hα-helixtrans-66.2-31.3-178.200000114F28 M29 T35 S328F28-G31 PolarHBondContact O-N 3.23Å; F28-G31 VanDerWaalsContact O-N 3.11Å; M29-G31 VanDerWaalsContact C-N 3.35Å; M29-G31 PolarHBondContact O-N 3.47Å; G31-T35 PolarHBondContact O-N 3.39Å; G31-T35 PolarHBondContact O-OG1 3.41Å; G31-S328 WeakPolarHBondContact CA-OG 3.32Å
32F94.3Very high89.5Confident64 Ų6425 Ų2528%0.28113%0.131SC..Hα-helixtrans-71.1-52.7175.9-69.1-61.8000111.7F28 M29 G30 T35 I325 V329 L332F28-F32 HydrophobicContact CD2-CD2 4.08Å; F28-F32 AromaticContact CD2-CE2 3.85Å; F28-F32 HydrophobicContact CD2-CE2 3.85Å; M29-F32 PolarHBondContact O-N 2.81Å; G30-F32 VanDerWaalsContact C-N 3.32Å; G30-F32 PolarHBondContact O-N 3.32Å; F32-T35 PolarHBondContact O-N 3.15Å; F32-I325 HydrophobicContact CD1-CG1 4.36Å; F32-I325 HydrophobicContact CD1-CG2 4.49Å; F32-I325 HydrophobicContact CE1-CG2 4.14Å; F32-V329 HydrophobicContact CE1-CG2 4.11Å; F32-V329 HydrophobicContact CZ-CG2 4Å; F32-L332 HydrophobicContact CE2-CD1 3.89Å; F32-L332 HydrophobicContact CZ-CD1 4.12Å
33I95.2Very high90.2Very high20 Ų2023.3 Ų23.310%0.10313%0.126CC..Hα-helixtrans-68.2-41-177.5-59.3-55.7000111.2M29 G30 T35 L36 L37 V290 T291 M294M29-I33 HydrophobicContact CG-CG1 4.22Å; M29-I33 PolarHBondContact O-N 3.39Å; M29-I33 HydrophobicContact SD-CD1 4.43Å; M29-I33 HydrophobicContact SD-CG1 4.09Å; G30-I33 PolarHBondContact O-N 2.65Å; I33-T35 PolarHBondContact O-N 3.27Å; I33-L36 PolarHBondContact O-N 2.92Å; I33-L37 HydrophobicContact CG2-CD1 3.96Å; I33-L37 PolarHBondContact O-N 2.95Å; I33-V290 HydrophobicContact CD1-CG1 4.44Å; I33-V290 HydrophobicContact CG2-CB 3.97Å; I33-V290 HydrophobicContact CG2-CG1 3.71Å; I33-T291 WeakPolarHBondContact CB-OG1 3.34Å; I33-T291 WeakPolarHBondContact CG2-OG1 3.41Å; I33-M294 HydrophobicContact CD1-CB 4.18Å; I33-M294 HydrophobicContact CD1-CG 3.89Å; I33-M294 HydrophobicContact CG1-CB 4.21Å; I33-M294 HydrophobicContact CG1-CG 4.34Å
34Y92.8Very high90.9Very high6 Ų624.4 Ų24.42%0.02413%0.132CC..Hα-helixtrans-67-25.4-179.8-159.7-103.5000112.9G30 L36 G38 S40 V43 L45 E284 A287G30-Y34 WeakPolarHBondContact O-CA 3.34Å; G30-Y34 WeakPolarHBondContact O-CB 3.48Å; G30-Y34 PolarHBondContact O-N 2.9Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.99Å; Y34-G38 WeakPolarHBondContact O-CA 3.47Å; Y34-G38 PolarHBondContact O-N 3.48Å; Y34-S40 WeakPolarHBondContact CE1-O 3.48Å; Y34-S40 WeakPolarHBondContact OH-CB 3.39Å; Y34-V43 HydrophobicContact CE1-CB 3.76Å; Y34-V43 HydrophobicContact CE1-CG1 4.03Å; Y34-V43 WeakPolarHBondContact CE1-O 3.34Å; Y34-V43 HydrophobicContact CE2-CG1 4.15Å; Y34-V43 VanDerWaalsContact OH-CB 3.29Å; Y34-V43 WeakPolarHBondContact OH-CB 3.34Å; Y34-L45 HydrophobicContact CD2-CD1 3.51Å; Y34-L45 HydrophobicContact CD2-CD2 4.45Å; Y34-L45 HydrophobicContact CD2-CG 3.76Å; Y34-L45 HydrophobicContact CE2-CD1 4.25Å; Y34-L45 HydrophobicContact CE2-CG 4.25Å; Y34-L45 HydrophobicContact CG-CD1 4.19Å; Y34-L45 HydrophobicContact CG-CG 4.24Å; Y34-E284 VanDerWaalsContact CE2-OE2 3.25Å; Y34-E284 WeakPolarHBondContact CE2-OE2 3.32Å; Y34-E284 PolarHBondContact OH-OE1 3.49Å; Y34-E284 PolarHBondContact OH-OE2 3.39Å; Y34-A287 HydrophobicContact CD2-CB 4.01Å; Y34-A287 HydrophobicContact CE2-CB 4.25Å
35T92.8Very high91.6Very high30 Ų3024.4 Ų24.418%0.18413%0.132CC..Hα-helixtrans-66.2-35172.3-61.90000112.2G31 F32 I33 P321 A322 I325G31-T35 PolarHBondContact O-N 3.39Å; G31-T35 PolarHBondContact O-OG1 3.41Å; F32-T35 PolarHBondContact O-N 3.15Å; I33-T35 PolarHBondContact O-N 3.27Å; T35-P321 PolarHBondContact OG1-O 3.44Å; T35-P321 VanDerWaalsContact OG1-O 3.07Å; T35-A322 HydrophobicContact CG2-CB 4.1Å; T35-I325 HydrophobicContact CG2-CD1 3.68Å; T35-I325 HydrophobicContact CG2-CG1 3.91Å
36L93.4Very high91.8Very high141 Ų14123.8 Ų23.874%0.73813%0.13SC*.Hα-helixtrans-83.8-38.6-177.3-63174.2000112.3I33 Y34I33-L36 PolarHBondContact O-N 2.92Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.99Å
37L94.3Very high91.7Very high45 Ų4523.7 Ų23.724%0.23613%0.129CC..Hα-helixtrans-113.4-23.3-170.3-61.3177.9000113.8I33 Q283 A287 V290I33-L37 HydrophobicContact CG2-CD1 3.96Å; I33-L37 PolarHBondContact O-N 2.95Å; L37-Q283 WeakPolarHBondContact O-CG 3.38Å; L37-Q283 PolarHBondContact O-NE2 3.49Å; L37-A287 HydrophobicContact CB-CB 3.77Å; L37-V290 HydrophobicContact CD1-CB 3.75Å; L37-V290 HydrophobicContact CD1-CG1 3.91Å; L37-V290 HydrophobicContact CD1-CG2 3.77Å
38G92.1Very high91.7Very high12 Ų1223.6 Ų23.612%0.12413%0.128CC..  trans-72.3146.3-175.200000112.8Y34Y34-G38 WeakPolarHBondContact O-CA 3.47Å; Y34-G38 PolarHBondContact O-N 3.48Å
39T93.1Very high91Very high47 Ų4725 Ų2529%0.28814%0.141SC..  trans-100.4-25.8176.964.60000112.5D280 Q283 E284T39-D280 HydrophobicContact CG2-CB 4.07Å; T39-D280 PolarHBondContact OG1-N 2.88Å; T39-Q283 HydrophobicContact CG2-CB 3.72Å; T39-Q283 HydrophobicContact CG2-CG 3.47Å; T39-Q283 VanDerWaalsContact CG2-CG 3.47Å; T39-E284 WeakPolarHBondContact CA-OE1 3.33Å; T39-E284 PolarHBondContact N-OE1 3.39Å; T39-E284 PolarHBondContact OG1-OE1 3.1Å
40S92.9Very high90.3Very high0 Ų026 Ų260%015%0.146CC..  trans-79.5129.8177.7-160.50000111.4Y34 D42 V43 Y277 E284Y34-S40 WeakPolarHBondContact CE1-O 3.48Å; Y34-S40 WeakPolarHBondContact OH-CB 3.39Å; S40-D42 VanDerWaalsContact C-N 3.34Å; S40-V43 VanDerWaalsContact OG-CG2 3.25Å; S40-V43 WeakPolarHBondContact OG-CG2 3.35Å; S40-Y277 PolarHBondContact OG-OH 3.43Å; S40-E284 PolarHBondContact N-OE1 3.47Å; S40-E284 VanDerWaalsContact N-OE1 3.12Å
41K91.8Very high90.1Very high50 Ų5026 Ų2622%0.21715%0.146CC..SBendtrans-74.6-25.2173.968.6-178.5-173.763.40113.3Y277 V318 C319K41-Y277 HydrophobicContact CD-CE1 4.47Å; K41-Y277 HydrophobicContact CG-CE1 4.12Å; K41-V318 PolarHBondContact NZ-O 2.76Å; K41-V318 VanDerWaalsContact O-CG1 3.3Å; K41-V318 WeakPolarHBondContact O-CG1 3.35Å; K41-C319 WeakPolarHBondContact CD-O 3.35Å
42D91.9Very high89.6Confident0 Ų025.6 Ų25.60%014%0.142CC..SBendtrans-93.3-33.7-170.4-65-75.9000112.9S40 F271 N275 Y277 T310 N313 S314 V318S40-D42 VanDerWaalsContact C-N 3.34Å; D42-F271 HydrophobicContact CB-CB 4.11Å; D42-F271 HydrophobicContact CB-CD1 4.4Å; D42-F271 HydrophobicContact CB-CG 4.4Å; D42-N275 PolarHBondContact OD1-ND2 3.41Å; D42-N275 PolarHBondContact OD2-ND2 3.32Å; D42-Y277 WeakPolarHBondContact OD2-CE1 3.46Å; D42-Y277 PolarHBondContact OD2-OH 3.38Å; D42-Y277 VanDerWaalsContact OD2-OH 3.14Å; D42-T310 HydrophobicContact CB-CG2 4.17Å; D42-T310 WeakPolarHBondContact O-CG2 3.29Å; D42-N313 PolarHBondContact O-ND2 3.29Å; D42-S314 VanDerWaalsContact OD1-CA 3.27Å; D42-S314 WeakPolarHBondContact OD1-CA 3.47Å; D42-S314 WeakPolarHBondContact OD1-CB 3.34Å; D42-S314 PolarHBondContact OD1-OG 3.02Å; D42-V318 HydrophobicContact CB-CG1 4.49Å; D42-V318 WeakPolarHBondContact OD1-CG1 3.43Å
43V92.9Very high89Confident6 Ų627.3 Ų27.34%0.03615%0.154CC..  trans-63.5139.1-170.4168.80000111.8Y34 S40 L45 I267 A268 T310Y34-V43 HydrophobicContact CE1-CB 3.76Å; Y34-V43 HydrophobicContact CE1-CG1 4.03Å; Y34-V43 WeakPolarHBondContact CE1-O 3.34Å; Y34-V43 HydrophobicContact CE2-CG1 4.15Å; Y34-V43 VanDerWaalsContact OH-CB 3.29Å; Y34-V43 WeakPolarHBondContact OH-CB 3.34Å; S40-V43 VanDerWaalsContact OG-CG2 3.25Å; S40-V43 WeakPolarHBondContact OG-CG2 3.35Å; V43-L45 HydrophobicContact CG1-CD2 4.25Å; V43-I267 HydrophobicContact CG2-CG2 4.41Å; V43-A268 HydrophobicContact CG2-CB 3.63Å; V43-T310 HydrophobicContact CG2-CG2 4.36Å
44T91.4Very high88.4Confident22 Ų2228.2 Ų28.214%0.13516%0.158CC..  trans-125.2116.5174.651.90000109.9S306 R309 T310 N313T44-S306 PolarHBondContact O-N 3.26Å; T44-R309 VanDerWaalsContact OG1-C 3.24Å; T44-R309 WeakPolarHBondContact OG1-CB 3.42Å; T44-T310 PolarHBondContact N-OG1 3.31Å; T44-T310 VanDerWaalsContact N-OG1 3.07Å; T44-T310 PolarHBondContact OG1-N 3.33Å; T44-T310 PolarHBondContact OG1-OG1 2.86Å; T44-N313 HydrophobicContact CG2-CB 4.01Å
45L91.9Very high88.2Confident4 Ų427.9 Ų27.92%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-79.6145.9177.4-63.7-176.2000111.3Y34 V43 I288 T291 T304 R309Y34-L45 HydrophobicContact CD2-CD1 3.51Å; Y34-L45 HydrophobicContact CD2-CD2 4.45Å; Y34-L45 HydrophobicContact CD2-CG 3.76Å; Y34-L45 HydrophobicContact CE2-CD1 4.25Å; Y34-L45 HydrophobicContact CE2-CG 4.25Å; Y34-L45 HydrophobicContact CG-CD1 4.19Å; Y34-L45 HydrophobicContact CG-CG 4.24Å; V43-L45 HydrophobicContact CG1-CD2 4.25Å; L45-I288 HydrophobicContact CD1-CG1 4.41Å; L45-I288 HydrophobicContact CD2-CG1 4.06Å; L45-T291 HydrophobicContact CD1-CG2 4.02Å; L45-T291 VanDerWaalsContact CD1-OG1 3.32Å; L45-T291 WeakPolarHBondContact CD1-OG1 3.45Å; L45-T304 CarbonylContact C-O 3.59Å; L45-T304 WeakPolarHBondContact CA-O 3.38Å; L45-R309 PolarHBondContact O-NH1 2.91Å
46G89.1Confident87.8Confident0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans159.8-153.4167.700000112.2V303 T304 R309G46-V303 WeakPolarHBondContact O-CB 3.29Å; G46-T304 PolarHBondContact N-O 3.07Å; G46-T304 PolarHBondContact O-N 3.05Å; G46-T304 VanDerWaalsContact O-N 3.11Å; G46-R309 VanDerWaalsContact CA-NH1 3.35Å; G46-R309 VanDerWaalsContact N-NH2 3.15Å; G46-R309 PolarHBondContact O-NH2 3.34Å
47P85.3Confident87.3Confident0 Ų025.7 Ų25.70%015%0.149CC..  trans-67.4136.5-177.830.8-38.9000112.8N6 V7 G23 A27 Y301 R309N6-P47 PolarHBondContact ND2-O 3.43Å; V7-P47 HydrophobicContact CG2-CB 3.81Å; V7-P47 HydrophobicContact CG2-CG 3.6Å; G23-P47 WeakPolarHBondContact O-CG 3.37Å; A27-P47 HydrophobicContact CB-CG 4.43Å; P47-Y301 HydrophobicContact CB-CE2 4.35Å; P47-Y301 WeakPolarHBondContact CB-OH 3.41Å; P47-R309 PolarHBondContact O-NH2 3.5Å
48T84.3Confident87Confident6 Ų625.3 Ų25.34%0.03715%0.149CC..  trans-126.4154.7168.567.10000110.2I50 M51 S52 T304 G305T48-I50 VanDerWaalsContact C-N 3.31Å; T48-I50 PolarHBondContact O-N 3.4Å; T48-M51 PolarHBondContact O-N 3.31Å; T48-M51 VanDerWaalsContact OG1-CB 3.29Å; T48-M51 WeakPolarHBondContact OG1-CB 3.35Å; T48-M51 PolarHBondContact OG1-N 2.93Å; T48-S52 PolarHBondContact O-N 2.95Å; T48-S52 PolarHBondContact O-OG 3.27Å; T48-T304 HydrophobicContact CG2-CG2 3.56Å; T48-T304 WeakPolarHBondContact OG1-CG2 3.46Å; T48-G305 WeakPolarHBondContact CG2-O 3.47Å
49A76.3Confident86.7Confident39 Ų3925 Ų2532%0.32214%0.144SC..Hα-helixtrans-62.6-39.7-176.500000112.5S52 L53A49-S52 WeakPolarHBondContact O-CB 3.31Å; A49-S52 PolarHBondContact O-N 3.01Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 2.9Å
50I78.6Confident86.1Confident44 Ų4425.4 Ų25.423%0.22616%0.158CC..Hα-helixtrans-64.5-48.8178-60.9170.4000110.2T48 S52 L53 L54 M259 V392T48-I50 VanDerWaalsContact C-N 3.31Å; T48-I50 PolarHBondContact O-N 3.4Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.45Å; I50-L53 PolarHBondContact O-N 2.95Å; I50-L53 VanDerWaalsContact O-N 3.14Å; I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.41Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 3.41Å; I50-M259 HydrophobicContact CG2-CE 4.06Å; I50-V392 HydrophobicContact CD1-CB 4.47Å
51M85Confident85.2Confident0 Ų026.7 Ų26.70%017%0.171CC..Hα-helixtrans-64.1-37.5179.3-158.865.715900111.9T48 C55 I256 P302 T304T48-M51 PolarHBondContact O-N 3.31Å; T48-M51 VanDerWaalsContact OG1-CB 3.29Å; T48-M51 WeakPolarHBondContact OG1-CB 3.35Å; T48-M51 PolarHBondContact OG1-N 2.93Å; M51-C55 WeakPolarHBondContact O-CB 3.4Å; M51-C55 PolarHBondContact O-N 2.9Å; M51-I256 HydrophobicContact CE-CG2 3.29Å; M51-I256 HydrophobicContact SD-CG2 3.75Å; M51-P302 HydrophobicContact CE-CB 3.34Å; M51-P302 HydrophobicContact CE-CG 4.47Å; M51-P302 HydrophobicContact CG-CB 4.11Å; M51-P302 WeakPolarHBondContact CG-O 3.15Å; M51-P302 HydrophobicContact SD-CB 4.43Å; M51-T304 HydrophobicContact CB-CG2 4.33Å
52S82.9Confident84.7Confident2 Ų228 Ų281%0.01418%0.178CC..Hα-helixtrans-59.9-45172.4-550000112S10 T48 A49 I50 F56 Y301S10-S52 WeakPolarHBondContact OG-CB 3.28Å; S10-S52 PolarHBondContact OG-OG 3.4Å; S10-S52 VanDerWaalsContact OG-OG 3.1Å; T48-S52 PolarHBondContact O-N 2.95Å; T48-S52 PolarHBondContact O-OG 3.27Å; A49-S52 WeakPolarHBondContact O-CB 3.31Å; A49-S52 PolarHBondContact O-N 3.01Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.45Å; S52-F56 VanDerWaalsContact O-CB 3.28Å; S52-F56 WeakPolarHBondContact O-CB 3.34Å; S52-F56 PolarHBondContact O-N 2.89Å; S52-Y301 PolarHBondContact OG-OH 2.83Å
53L80.3Confident84.2Confident100 Ų10029.2 Ų29.252%0.52419%0.186SC..Hα-helixtrans-67.9-46.7-177-176.967.8000111.3A49 I50 F56 S57A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 2.9Å; I50-L53 PolarHBondContact O-N 2.95Å; I50-L53 VanDerWaalsContact O-N 3.14Å; L53-F56 PolarHBondContact O-N 2.81Å; L53-S57 PolarHBondContact O-N 2.98Å
54L84.1Confident83.7Confident38 Ų3833.7 Ų33.720%0.19921%0.206CC..Hα-helixtrans-62.9-46.7177.2-69.5175000111.2I50 F56 S57 V58 I256 M259I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.41Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 3.41Å; L54-F56 VanDerWaalsContact C-N 3.31Å; L54-F56 PolarHBondContact O-N 2.9Å; L54-S57 PolarHBondContact O-N 3.45Å; L54-S57 PolarHBondContact O-OG 2.9Å; L54-V58 WeakPolarHBondContact O-CG2 3.23Å; L54-V58 PolarHBondContact O-N 2.68Å; L54-V58 VanDerWaalsContact O-N 3.12Å; L54-I256 HydrophobicContact CB-CD1 4.3Å; L54-I256 HydrophobicContact CB-CG1 4.11Å; L54-M259 HydrophobicContact CD1-CB 4.24Å; L54-M259 HydrophobicContact CD1-CG 3.77Å
55C87.9Confident83.5Confident0 Ų034.2 Ų34.20%021%0.206CC..Hα-helixtrans-58-45.8175.3179.30000111.1M51 S57 V58 V59 A66 L69M51-C55 WeakPolarHBondContact O-CB 3.4Å; M51-C55 PolarHBondContact O-N 2.9Å; C55-S57 PolarHBondContact O-N 3.13Å; C55-V58 PolarHBondContact O-N 2.88Å; C55-V59 WeakPolarHBondContact O-CB 3.2Å; C55-V59 WeakPolarHBondContact O-CG2 3.5Å; C55-V59 PolarHBondContact O-N 2.81Å; C55-A66 VanDerWaalsContact SG-CB 3.6Å; C55-L69 HydrophobicContact CB-CD2 4.47Å
56F84.1Confident83.4Confident45 Ų4534.1 Ų34.120%0.19721%0.205CC..Hα-helixtrans-60.6-43.9177.1-177.7-88000112.3L14 C15 F19 S52 L53 L54 V58 V59 G60L14-F56 HydrophobicContact CD2-CD1 3.55Å; L14-F56 HydrophobicContact CD2-CE1 3.43Å; L14-F56 VanDerWaalsContact CD2-CE1 3.43Å; L14-F56 HydrophobicContact CD2-CG 4.33Å; L14-F56 HydrophobicContact CD2-CZ 4.11Å; L14-F56 HydrophobicContact CG-CE1 4.3Å; C15-F56 WeakPolarHBondContact SG-CD2 3.41Å; C15-F56 WeakPolarHBondContact SG-CE2 3.14Å; F19-F56 HydrophobicContact CE2-CD2 4.48Å; S52-F56 VanDerWaalsContact O-CB 3.28Å; S52-F56 WeakPolarHBondContact O-CB 3.34Å; S52-F56 PolarHBondContact O-N 2.89Å; L53-F56 PolarHBondContact O-N 2.81Å; L54-F56 VanDerWaalsContact C-N 3.31Å; L54-F56 PolarHBondContact O-N 2.9Å; F56-V58 VanDerWaalsContact C-N 3.3Å; F56-V58 PolarHBondContact O-N 3.34Å; F56-V59 PolarHBondContact O-N 2.84Å; F56-G60 WeakPolarHBondContact O-CA 3.38Å; F56-G60 PolarHBondContact O-N 3.35Å
57S83.9Confident83.5Confident80 Ų8034.3 Ų34.356%0.55921%0.207SC*.Hα-helixtrans-62.5-35.1-179.171.10000113.3L53 L54 C55L53-S57 PolarHBondContact O-N 2.98Å; L54-S57 PolarHBondContact O-N 3.45Å; L54-S57 PolarHBondContact O-OG 2.9Å; C55-S57 PolarHBondContact O-N 3.13Å
58V86.9Confident83.8Confident37 Ų3734.4 Ų34.422%0.22421%0.207CC..Hα-helixtrans-81.5-31.9179.4172.20000111.7L54 C55 F56 L69 F249 I256L54-V58 WeakPolarHBondContact O-CG2 3.23Å; L54-V58 PolarHBondContact O-N 2.68Å; L54-V58 VanDerWaalsContact O-N 3.12Å; C55-V58 PolarHBondContact O-N 2.88Å; F56-V58 VanDerWaalsContact C-N 3.3Å; F56-V58 PolarHBondContact O-N 3.34Å; V58-L69 HydrophobicContact CB-CD2 4.46Å; V58-L69 HydrophobicContact CG1-CD2 4.22Å; V58-F249 HydrophobicContact CG1-CB 3.97Å; V58-F249 HydrophobicContact CG1-CD1 3.62Å; V58-F249 HydrophobicContact CG1-CE1 4.45Å; V58-F249 HydrophobicContact CG1-CG 4.08Å; V58-I256 HydrophobicContact CB-CD1 4.11Å; V58-I256 HydrophobicContact CG2-CD1 3.67Å
59V85.6Confident84.2Confident4 Ų434.1 Ų34.12%0.02421%0.206CC..Hα-helixtrans-101-11.7-169.8175.60000113C55 F56 G61 Q62 R65 A66 L69 F249C55-V59 WeakPolarHBondContact O-CB 3.2Å; C55-V59 WeakPolarHBondContact O-CG2 3.5Å; C55-V59 PolarHBondContact O-N 2.81Å; F56-V59 PolarHBondContact O-N 2.84Å; V59-G61 PolarHBondContact O-N 3.37Å; V59-Q62 HydrophobicContact CG1-CB 4.07Å; V59-Q62 WeakPolarHBondContact CG1-O 3.39Å; V59-Q62 PolarHBondContact O-N 2.95Å; V59-R65 HydrophobicContact CB-CB 4.45Å; V59-R65 HydrophobicContact CG1-CB 3.38Å; V59-R65 HydrophobicContact CG2-CB 4.43Å; V59-A66 HydrophobicContact CG1-CB 4.21Å; V59-A66 HydrophobicContact CG2-CB 4.43Å; V59-L69 HydrophobicContact CG2-CB 4.41Å; V59-L69 HydrophobicContact CG2-CD2 3.61Å; V59-F249 HydrophobicContact CG2-CE1 3.99Å
60G80.2Confident85Confident57 Ų5732.3 Ų32.359%0.58819%0.19SC*.THydrogen-bonded Turntrans63.228.4-179.300000113.4F56 Q62F56-G60 WeakPolarHBondContact O-CA 3.38Å; F56-G60 PolarHBondContact O-N 3.35Å; G60-Q62 PolarHBondContact O-N 2.82Å
61G73.8Confident85.8Confident26 Ų2631.9 Ų31.927%0.26819%0.189SC..THydrogen-bonded Turntrans79.28178.900000116.3V59 P63V59-G61 PolarHBondContact O-N 3.37Å; G61-P63 WeakPolarHBondContact O-CD 3.48Å
62Q82.3Confident86.3Confident77 Ų7733.2 Ų33.236%0.3620%0.195SC..  trans-85.3110178.4-59.7-175.516.500112V59 G60 H64 R65 A66 D232V59-Q62 HydrophobicContact CG1-CB 4.07Å; V59-Q62 WeakPolarHBondContact CG1-O 3.39Å; V59-Q62 PolarHBondContact O-N 2.95Å; G60-Q62 PolarHBondContact O-N 2.82Å; Q62-H64 VanDerWaalsContact C-N 3.33Å; Q62-H64 PolarHBondContact O-N 3.16Å; Q62-R65 HydrophobicContact CB-CB 4.32Å; Q62-R65 HydrophobicContact CB-CG 4.34Å; Q62-R65 PolarHBondContact O-N 3.2Å; Q62-R65 VanDerWaalsContact OE1-CD 3.29Å; Q62-A66 PolarHBondContact O-N 3.44Å; Q62-D232 PolarHBondContact OE1-OD2 2.91Å
63P80.5Confident86.9Confident26 Ų2633.1 Ų33.117%0.16920%0.195CC..Hα-helixtrans-65-32.7-170.425-34.1000113.9Y22 G61 A66 V67Y22-P63 HydrophobicContact CD1-CB 4.15Å; Y22-P63 HydrophobicContact CD2-CB 3.92Å; Y22-P63 HydrophobicContact CE1-CB 3.91Å; Y22-P63 HydrophobicContact CE2-CB 3.66Å; Y22-P63 HydrophobicContact CE2-CG 4.26Å; Y22-P63 HydrophobicContact CG-CB 4.19Å; G61-P63 WeakPolarHBondContact O-CD 3.48Å; P63-A66 WeakPolarHBondContact O-CB 3.5Å; P63-A66 PolarHBondContact O-N 3.42Å; P63-A66 VanDerWaalsContact O-N 3.15Å; P63-V67 WeakPolarHBondContact O-CG2 3.46Å; P63-V67 PolarHBondContact O-N 3.11Å; P63-V67 VanDerWaalsContact O-N 3.15Å
64H83.3Confident87.7Confident100 Ų10028.3 Ų28.346%0.46317%0.17SC..Hα-helixtrans-62.1-45.5178.6-60104.8000112.3Q62 A66 V67 L68 P229Q62-H64 VanDerWaalsContact C-N 3.33Å; Q62-H64 PolarHBondContact O-N 3.16Å; H64-A66 VanDerWaalsContact C-N 3.27Å; H64-A66 PolarHBondContact O-N 3.06Å; H64-V67 PolarHBondContact O-N 3.4Å; H64-L68 PolarHBondContact O-N 3.17Å; H64-P229 HydrophobicContact CB-CG 3.97Å; H64-P229 WeakPolarHBondContact O-CG 3.39Å
65R87.8Confident88.3Confident33 Ų3330.2 Ų30.213%0.12518%0.183CC..Hα-helixtrans-63.9-31.5174.3-72.2-174.8-169.6-153.42.3112.1V59 Q62 L68 L69 D232 I245 D248 F249V59-R65 HydrophobicContact CB-CB 4.45Å; V59-R65 HydrophobicContact CG1-CB 3.38Å; V59-R65 HydrophobicContact CG2-CB 4.43Å; Q62-R65 HydrophobicContact CB-CB 4.32Å; Q62-R65 HydrophobicContact CB-CG 4.34Å; Q62-R65 PolarHBondContact O-N 3.2Å; Q62-R65 VanDerWaalsContact OE1-CD 3.29Å; R65-L68 PolarHBondContact O-N 2.87Å; R65-L69 WeakPolarHBondContact O-CB 2.98Å; R65-L69 PolarHBondContact O-N 3.14Å; R65-D232 IonicContact CZ-OD2 3.88Å; R65-D232 IonicContact NE-OD2 2.68Å; R65-D232 PolarHBondContact NE-OD2 3.33Å; R65-D232 VanDerWaalsContact NE-OD2 3.13Å; R65-D232 IonicContact NH2-OD2 3.24Å; R65-I245 HydrophobicContact CG-CG2 4.19Å; R65-D248 IonicContact CZ-OD2 3.1Å; R65-D248 IonicContact NH1-OD2 2.69Å; R65-D248 PolarHBondContact NH1-OD2 2.93Å; R65-F249 HydrophobicContact CB-CE1 4.17Å; R65-F249 HydrophobicContact CB-CZ 4.16Å; R65-F249 WeakPolarHBondContact O-CZ 3.46Å
66A88.7Confident88.7Confident2 Ų233.3 Ų33.32%0.01720%0.198CC..Hα-helixtrans-67.6-36.4176.100000112.3F19 C55 V59 Q62 P63 H64 L69 S70 P302F19-A66 HydrophobicContact CE2-CB 4.4Å; C55-A66 VanDerWaalsContact SG-CB 3.6Å; V59-A66 HydrophobicContact CG1-CB 4.21Å; V59-A66 HydrophobicContact CG2-CB 4.43Å; Q62-A66 PolarHBondContact O-N 3.44Å; P63-A66 WeakPolarHBondContact O-CB 3.5Å; P63-A66 PolarHBondContact O-N 3.42Å; P63-A66 VanDerWaalsContact O-N 3.15Å; H64-A66 VanDerWaalsContact C-N 3.27Å; H64-A66 PolarHBondContact O-N 3.06Å; A66-L69 PolarHBondContact O-N 3.43Å; A66-S70 PolarHBondContact O-N 3.24Å; A66-P302 WeakPolarHBondContact O-CD 3.45Å
67V91Very high89.2Confident5 Ų531.1 Ų31.13%0.0319%0.189CC..Hα-helixtrans-66-43.5173.9177.60000111.1Y22 P63 H64 L69 S70 L71 P228 S296Y22-V67 HydrophobicContact CD1-CG2 3.88Å; Y22-V67 HydrophobicContact CE1-CG2 3.78Å; P63-V67 WeakPolarHBondContact O-CG2 3.46Å; P63-V67 PolarHBondContact O-N 3.11Å; P63-V67 VanDerWaalsContact O-N 3.15Å; H64-V67 PolarHBondContact O-N 3.4Å; V67-L69 VanDerWaalsContact C-N 3.34Å; V67-S70 VanDerWaalsContact O-CB 3.29Å; V67-S70 WeakPolarHBondContact O-CB 3.25Å; V67-S70 PolarHBondContact O-N 3.23Å; V67-L71 PolarHBondContact O-N 3.22Å; V67-P228 HydrophobicContact CG1-CB 4.14Å; V67-S296 WeakPolarHBondContact CG1-O 3.23Å; V67-S296 WeakPolarHBondContact O-CB 3.36Å
68L92.1Very high89.8Confident2 Ų228 Ų281%0.0117%0.168CC..Hα-helixtrans-63.1-42175.4-174.659.9000111.8H64 R65 S70 L71 L72 P229 F242 I245 F249H64-L68 PolarHBondContact O-N 3.17Å; R65-L68 PolarHBondContact O-N 2.87Å; L68-S70 VanDerWaalsContact C-N 3.26Å; L68-S70 PolarHBondContact O-N 3.35Å; L68-L71 HydrophobicContact CD1-CD2 4.28Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L68-L72 HydrophobicContact CG-CD1 4.38Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 2.85Å; L68-P229 WeakPolarHBondContact CD1-O 3.29Å; L68-F242 HydrophobicContact CD1-CD2 4.39Å; L68-F242 HydrophobicContact CD1-CE2 3.99Å; L68-F242 HydrophobicContact CD2-CD2 4.04Å; L68-F242 HydrophobicContact CD2-CE2 4.14Å; L68-F242 HydrophobicContact CG-CE2 4.45Å; L68-I245 HydrophobicContact CD2-CB 4.34Å; L68-I245 HydrophobicContact CD2-CD1 4.35Å; L68-I245 HydrophobicContact CD2-CG2 3.81Å; L68-F249 HydrophobicContact CD2-CE2 4.43Å; L68-F249 HydrophobicContact CG-CE2 4.46Å
69L92.4Very high90.2Very high0 Ų027.6 Ų27.60%017%0.171CC..Hα-helixtrans-59.8-37.2174.8-177.662.9000111.6C55 V58 V59 R65 A66 V67 L72 C73 F249 L253 I256 P302C55-L69 HydrophobicContact CB-CD2 4.47Å; V58-L69 HydrophobicContact CB-CD2 4.46Å; V58-L69 HydrophobicContact CG1-CD2 4.22Å; V59-L69 HydrophobicContact CG2-CB 4.41Å; V59-L69 HydrophobicContact CG2-CD2 3.61Å; R65-L69 WeakPolarHBondContact O-CB 2.98Å; R65-L69 PolarHBondContact O-N 3.14Å; A66-L69 PolarHBondContact O-N 3.43Å; V67-L69 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-C73 WeakPolarHBondContact O-CB 3.21Å; L69-C73 PolarHBondContact O-N 2.89Å; L69-C73 PolarHBondContact O-SG 2.93Å; L69-F249 HydrophobicContact CB-CE2 4.13Å; L69-F249 HydrophobicContact CB-CZ 4.04Å; L69-F249 HydrophobicContact CD1-CD2 4.06Å; L69-F249 HydrophobicContact CD1-CE2 4.25Å; L69-F249 HydrophobicContact CD1-CG 4.3Å; L69-L253 HydrophobicContact CD1-CD2 3.91Å; L69-I256 HydrophobicContact CD2-CD1 3.71Å; L69-P302 HydrophobicContact CD2-CG 4.38Å; L69-P302 HydrophobicContact CG-CG 4.08Å
70S94.4Very high90.6Very high0 Ų029 Ų290%018%0.178CC..Hα-helixtrans-58.7-46.9172.8-168.90000112.2A66 V67 L68 L72 C73 G74 N292 A300A66-S70 PolarHBondContact O-N 3.24Å; V67-S70 VanDerWaalsContact O-CB 3.29Å; V67-S70 WeakPolarHBondContact O-CB 3.25Å; V67-S70 PolarHBondContact O-N 3.23Å; L68-S70 VanDerWaalsContact C-N 3.26Å; L68-S70 PolarHBondContact O-N 3.35Å; S70-L72 PolarHBondContact O-N 3.22Å; S70-C73 PolarHBondContact O-N 2.85Å; S70-G74 PolarHBondContact O-N 2.96Å; S70-N292 PolarHBondContact OG-O 2.97Å; S70-A300 WeakPolarHBondContact CB-O 3.33Å
71L95.6Very high91.3Very high36 Ų3626.6 Ų26.619%0.18815%0.152CC..Hα-helixtrans-58-51.8177.2179.673.4000110.8V67 L68 C73 G74 V75 P228 I293V67-L71 PolarHBondContact O-N 3.22Å; L68-L71 HydrophobicContact CD1-CD2 4.28Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L71-C73 PolarHBondContact O-N 2.93Å; L71-G74 PolarHBondContact O-N 3.24Å; L71-G74 VanDerWaalsContact O-N 3.16Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 3.37Å; L71-P228 HydrophobicContact CB-CB 4.49Å; L71-P228 HydrophobicContact CB-CG 4.42Å; L71-P228 HydrophobicContact CD1-CG 4.31Å; L71-P228 HydrophobicContact CD2-CB 4.34Å; L71-P228 HydrophobicContact CD2-CG 3.71Å; L71-P228 HydrophobicContact CG-CG 4.36Å; L71-I293 HydrophobicContact CD1-CG2 4.11Å
72L95.4Very high92.3Very high27 Ų2732.1 Ų32.114%0.14118%0.175CC..Hα-helixtrans-64-41.4-177.1-63.8174.9000111.9L68 L69 S70 G74 V75 I76 F242 V246 F249 L253L68-L72 HydrophobicContact CG-CD1 4.38Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 2.85Å; L69-L72 PolarHBondContact O-N 3.34Å; S70-L72 PolarHBondContact O-N 3.22Å; L72-G74 VanDerWaalsContact C-N 3.29Å; L72-G74 PolarHBondContact O-N 3.16Å; L72-V75 PolarHBondContact O-N 3.44Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 3.17Å; L72-F242 HydrophobicContact CD2-CE2 4.42Å; L72-F242 HydrophobicContact CD2-CZ 4.11Å; L72-V246 HydrophobicContact CD1-CG2 3.88Å; L72-F249 HydrophobicContact CD1-CD2 4Å; L72-F249 HydrophobicContact CD1-CE2 3.93Å; L72-L253 HydrophobicContact CB-CD2 3.73Å; L72-L253 HydrophobicContact CD1-CD2 3.7Å; L72-L253 HydrophobicContact CG-CD2 4.36Å
73C95.3Very high92.9Very high0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-59.7-43.1174.2-680000111.7L69 S70 L71 I76 Q77 I256 P257L69-C73 WeakPolarHBondContact O-CB 3.21Å; L69-C73 PolarHBondContact O-N 2.89Å; L69-C73 PolarHBondContact O-SG 2.93Å; S70-C73 PolarHBondContact O-N 2.85Å; L71-C73 PolarHBondContact O-N 2.93Å; C73-I76 PolarHBondContact O-N 2.87Å; C73-Q77 WeakPolarHBondContact O-CB 3.37Å; C73-Q77 WeakPolarHBondContact O-CG 3.31Å; C73-Q77 PolarHBondContact O-N 3.49Å; C73-Q77 PolarHBondContact O-OE1 3.39Å; C73-I256 VanDerWaalsContact SG-CG2 3.57Å; C73-P257 HydrophobicContact CB-CB 4.15Å; C73-P257 HydrophobicContact CB-CG 3.9Å
74G96.4Very high93.5Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-65-4117800000113.2S70 L71 L72 Q77 A78 G289S70-G74 PolarHBondContact O-N 2.96Å; L71-G74 PolarHBondContact O-N 3.24Å; L71-G74 VanDerWaalsContact O-N 3.16Å; L72-G74 VanDerWaalsContact C-N 3.29Å; L72-G74 PolarHBondContact O-N 3.16Å; G74-Q77 PolarHBondContact O-N 3.41Å; G74-A78 VanDerWaalsContact O-CB 3.29Å; G74-A78 WeakPolarHBondContact O-CB 3.38Å; G74-A78 PolarHBondContact O-N 3.41Å; G74-G289 WeakPolarHBondContact CA-O 3.12Å; G74-G289 WeakPolarHBondContact O-CA 3.42Å
75V96.4Very high93.8Very high78 Ų7841.1 Ų41.147%0.47321%0.212SC..Hα-helixtrans-63.4-45.1174.9171.20000111.2L71 L72 A78 G79 I293L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 3.37Å; L72-V75 PolarHBondContact O-N 3.44Å; V75-A78 PolarHBondContact O-N 3.49Å; V75-G79 PolarHBondContact O-N 3.02Å; V75-I293 HydrophobicContact CG2-CD1 4.23Å; V75-I293 HydrophobicContact CG2-CG1 4.27Å
76I96.1Very high93.8Very high64 Ų6439.7 Ų39.733%0.32821%0.207SC..Hα-helixtrans-62.2-46177.5-67.6168000110.2L72 C73 G79 M80 L253 P257L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 3.17Å; C73-I76 PolarHBondContact O-N 2.87Å; I76-G79 PolarHBondContact O-N 3.35Å; I76-M80 HydrophobicContact CG2-CE 4.18Å; I76-M80 HydrophobicContact CG2-SD 4.5Å; I76-M80 VanDerWaalsContact O-CG 3.3Å; I76-M80 WeakPolarHBondContact O-CG 3.3Å; I76-M80 PolarHBondContact O-N 3.16Å; I76-L253 HydrophobicContact CD1-CB 4.34Å; I76-L253 WeakPolarHBondContact CD1-O 3.46Å; I76-P257 HydrophobicContact CB-CB 4.39Å; I76-P257 HydrophobicContact CB-CG 4.27Å; I76-P257 HydrophobicContact CD1-CG 4.16Å; I76-P257 HydrophobicContact CG2-CB 4.19Å; I76-P257 HydrophobicContact CG2-CG 4.2Å
77Q95.6Very high93.6Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-63.5-43.6177.6-75.9165.1-20.300113C73 G74 G79 M80 A81 P257 L285 N292C73-Q77 WeakPolarHBondContact O-CB 3.37Å; C73-Q77 WeakPolarHBondContact O-CG 3.31Å; C73-Q77 PolarHBondContact O-N 3.49Å; C73-Q77 PolarHBondContact O-OE1 3.39Å; G74-Q77 PolarHBondContact O-N 3.41Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-M80 HydrophobicContact CB-CE 4.34Å; Q77-M80 HydrophobicContact CG-CE 3.85Å; Q77-M80 PolarHBondContact O-N 2.94Å; Q77-A81 PolarHBondContact O-N 3.02Å; Q77-P257 HydrophobicContact CG-CB 3.76Å; Q77-P257 PolarHBondContact NE2-O 2.94Å; Q77-L285 HydrophobicContact CB-CD1 3.9Å; Q77-L285 HydrophobicContact CG-CD1 4.09Å; Q77-L285 WeakPolarHBondContact O-CD1 3.4Å; Q77-L285 WeakPolarHBondContact O-CG 3.36Å; Q77-N292 PolarHBondContact OE1-ND2 3.42Å
78A95.9Very high93.2Very high14 Ų1450 Ų5012%0.11626%0.256CS..Hα-helixtrans-63.7-40.1174.500000111.5G74 V75 A81 L82 I293G74-A78 VanDerWaalsContact O-CB 3.29Å; G74-A78 WeakPolarHBondContact O-CB 3.38Å; G74-A78 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 3.49Å; A78-A81 WeakPolarHBondContact O-CB 3.09Å; A78-A81 PolarHBondContact O-N 2.72Å; A78-L82 WeakPolarHBondContact O-CG 3.45Å; A78-L82 PolarHBondContact O-N 3.45Å; A78-I293 HydrophobicContact CB-CD1 4.23Å
79G95.9Very high92.8Very high29 Ų2950.2 Ų50.230%0.29926%0.257SS..Hα-helixtrans-60.8-44.3173.400000112.6V75 I76 Q77 A81 L82 L83V75-G79 PolarHBondContact O-N 3.02Å; I76-G79 PolarHBondContact O-N 3.35Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; G79-A81 VanDerWaalsContact C-N 3.3Å; G79-A81 PolarHBondContact O-N 3.37Å; G79-L82 PolarHBondContact O-N 2.96Å; G79-L83 WeakPolarHBondContact O-CG 3.35Å; G79-L83 PolarHBondContact O-N 3.35Å
80M93.9Very high92.4Very high34 Ų3455.2 Ų55.217%0.16728%0.284CS..Hα-helixtrans-61.9-36.7174.3-67.9-171.6-65.800112I76 Q77 L83 R84 L85 L261 L285I76-M80 HydrophobicContact CG2-CE 4.18Å; I76-M80 HydrophobicContact CG2-SD 4.5Å; I76-M80 VanDerWaalsContact O-CG 3.3Å; I76-M80 WeakPolarHBondContact O-CG 3.3Å; I76-M80 PolarHBondContact O-N 3.16Å; Q77-M80 HydrophobicContact CB-CE 4.34Å; Q77-M80 HydrophobicContact CG-CE 3.85Å; Q77-M80 PolarHBondContact O-N 2.94Å; M80-L83 PolarHBondContact O-N 2.9Å; M80-R84 PolarHBondContact O-N 3.11Å; M80-L85 HydrophobicContact CB-CB 4.38Å; M80-L85 HydrophobicContact CB-CD1 4.02Å; M80-L85 HydrophobicContact CG-CD1 3.95Å; M80-L85 WeakPolarHBondContact O-CB 3.24Å; M80-L85 PolarHBondContact O-N 3.37Å; M80-L261 HydrophobicContact CE-CD2 4.39Å; M80-L285 HydrophobicContact CB-CD1 4.39Å; M80-L285 HydrophobicContact CB-CD2 3.73Å; M80-L285 HydrophobicContact CB-CG 4.45Å; M80-L285 HydrophobicContact CE-CD1 3.99Å
81A94.9Very high92Very high5 Ų560.3 Ų60.34%0.04131%0.306CS..Hα-helixtrans-67-40.1174.600000112.8Q77 A78 G79 L83 R84 N282 L285 L286Q77-A81 PolarHBondContact O-N 3.02Å; A78-A81 WeakPolarHBondContact O-CB 3.09Å; A78-A81 PolarHBondContact O-N 2.72Å; G79-A81 VanDerWaalsContact C-N 3.3Å; G79-A81 PolarHBondContact O-N 3.37Å; A81-L83 VanDerWaalsContact C-N 3.29Å; A81-L83 PolarHBondContact O-N 2.59Å; A81-R84 PolarHBondContact O-N 3.44Å; A81-N282 WeakPolarHBondContact CA-OD1 3.27Å; A81-N282 PolarHBondContact O-ND2 2.9Å; A81-N282 PolarHBondContact O-OD1 2.87Å; A81-L285 HydrophobicContact CB-CB 4.4Å; A81-L285 HydrophobicContact CB-CD2 4.2Å; A81-L285 HydrophobicContact CB-CG 3.94Å; A81-L286 HydrophobicContact CB-CB 3.81Å; A81-L286 HydrophobicContact CB-CD1 4.13Å
82L95.3Very high91.7Very high142 Ų14259.1 Ų59.174%0.74330%0.3SS*.Hα-helixtrans-62.6-38.7176.2-72.5170.6000111.4A78 G79 R84A78-L82 WeakPolarHBondContact O-CG 3.45Å; A78-L82 PolarHBondContact O-N 3.45Å; G79-L82 PolarHBondContact O-N 2.96Å; L82-R84 PolarHBondContact O-N 2.85Å
83L95Very high91.5Very high128 Ų12859.1 Ų59.167%0.6730%0.302SS*.THydrogen-bonded Turntrans-75.12.1173.9-65.7176.9000113.8G79 M80 A81 L85G79-L83 WeakPolarHBondContact O-CG 3.35Å; G79-L83 PolarHBondContact O-N 3.35Å; M80-L83 PolarHBondContact O-N 2.9Å; A81-L83 VanDerWaalsContact C-N 3.29Å; A81-L83 PolarHBondContact O-N 2.59Å; L83-L85 HydrophobicContact CB-CD1 4.28Å; L83-L85 HydrophobicContact CB-CD2 4.5Å; L83-L85 HydrophobicContact CB-CG 3.9Å; L83-L85 HydrophobicContact CD1-CD1 4.39Å; L83-L85 PolarHBondContact O-N 3.44Å
84R92.1Very high91.3Very high198 Ų19864.6 Ų64.675%0.74732%0.323SS*.THydrogen-bonded Turntrans55.833.5-178.2-58.9-175.5177.8-174.2-0.9113.7M80 A81 L82 G86 N282M80-R84 PolarHBondContact O-N 3.11Å; A81-R84 PolarHBondContact O-N 3.44Å; L82-R84 PolarHBondContact O-N 2.85Å; R84-G86 PolarHBondContact O-N 3.21Å; R84-N282 WeakPolarHBondContact CA-OD1 3.46Å
85L90.1Very high91.2Very high67 Ų6765.4 Ų65.435%0.35133%0.328SS..G310 helixtrans-70.91.3179.5-63.3179000113.6M80 L83 F87 L88M80-L85 HydrophobicContact CB-CB 4.38Å; M80-L85 HydrophobicContact CB-CD1 4.02Å; M80-L85 HydrophobicContact CG-CD1 3.95Å; M80-L85 WeakPolarHBondContact O-CB 3.24Å; M80-L85 PolarHBondContact O-N 3.37Å; L83-L85 HydrophobicContact CB-CD1 4.28Å; L83-L85 HydrophobicContact CB-CD2 4.5Å; L83-L85 HydrophobicContact CB-CG 3.9Å; L83-L85 HydrophobicContact CD1-CD1 4.39Å; L83-L85 PolarHBondContact O-N 3.44Å; L85-F87 HydrophobicContact CD2-CE1 4.01Å; L85-F87 PolarHBondContact O-N 3.47Å; L85-F87 VanDerWaalsContact O-N 3.13Å; L85-L88 PolarHBondContact O-N 2.9Å
86G86.3Confident91Very high2 Ų261.7 Ų61.72%0.02131%0.306CS..G310 helixtrans-55.4-24.5171.900000114.3R84 L88 L89 A281R84-G86 PolarHBondContact O-N 3.21Å; G86-L88 PolarHBondContact O-N 2.83Å; G86-L89 WeakPolarHBondContact O-CB 3.48Å; G86-L89 PolarHBondContact O-N 3.19Å; G86-A281 WeakPolarHBondContact O-CB 3.4Å
87F85.9Confident90.8Very high122 Ų12259.3 Ų59.354%0.53529%0.294SS..G310 helixtrans-59.1-29.6177.784.2-89.9000112.8L85 L89 D90 F91L85-F87 HydrophobicContact CD2-CE1 4.01Å; L85-F87 PolarHBondContact O-N 3.47Å; L85-F87 VanDerWaalsContact O-N 3.13Å; F87-L89 PolarHBondContact O-N 2.84Å; F87-D90 WeakPolarHBondContact O-CB 3.28Å; F87-D90 PolarHBondContact O-N 3.25Å; F87-F91 HydrophobicContact CD2-CE2 4.01Å; F87-F91 HydrophobicContact CE2-CE2 4.12Å
88L82.9Confident90.7Very high103 Ų10360.1 Ų60.154%0.53930%0.297SS..G310 helixtrans-63.3-25.9179-174.361.6000111.5L85 G86 D90 F91L85-L88 PolarHBondContact O-N 2.9Å; G86-L88 PolarHBondContact O-N 2.83Å; L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 PolarHBondContact O-N 3.01Å; L88-F91 HydrophobicContact CD1-CD2 4.2Å; L88-F91 WeakPolarHBondContact O-CD2 3.4Å
89L82.8Confident90.5Very high5 Ų559.5 Ų59.53%0.02629%0.292CS..G310 helixtrans-78.5-13.5-179.5-52.5178.4000112G86 F87 F91 I92 L261 L262 I265 K269 A281G86-L89 WeakPolarHBondContact O-CB 3.48Å; G86-L89 PolarHBondContact O-N 3.19Å; F87-L89 PolarHBondContact O-N 2.84Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 3.39Å; L89-I92 WeakPolarHBondContact O-CG1 3.5Å; L89-I92 PolarHBondContact O-N 3.46Å; L89-L261 HydrophobicContact CD1-CD1 3.66Å; L89-L261 HydrophobicContact CD1-CD2 4.09Å; L89-L261 HydrophobicContact CD1-CG 3.98Å; L89-L261 HydrophobicContact CD2-CD2 4.16Å; L89-L261 HydrophobicContact CD2-CG 4.28Å; L89-L262 HydrophobicContact CD2-CD2 4.25Å; L89-I265 HydrophobicContact CB-CG1 4.11Å; L89-I265 HydrophobicContact CD1-CB 4.07Å; L89-I265 HydrophobicContact CD1-CD1 4.34Å; L89-I265 HydrophobicContact CD1-CG1 3.81Å; L89-I265 HydrophobicContact CD1-CG2 4.13Å; L89-I265 HydrophobicContact CD2-CG2 4.03Å; L89-I265 HydrophobicContact CG-CG1 4.43Å; L89-I265 HydrophobicContact CG-CG2 4.5Å; L89-K269 PolarHBondContact O-NZ 3.46Å; L89-A281 HydrophobicContact CB-CB 3.98Å; L89-A281 HydrophobicContact CD1-CB 4.07Å
90D84.8Confident90.3Very high106 Ų10658.1 Ų58.157%0.56728%0.278SS*.G310 helixtrans-76.8-14.6176.6-66.8-26.5000113.4F87 L88 I92 K269F87-D90 WeakPolarHBondContact O-CB 3.28Å; F87-D90 PolarHBondContact O-N 3.25Å; L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 PolarHBondContact O-N 3.01Å; D90-I92 PolarHBondContact O-N 2.82Å; D90-K269 IonicContact OD1-NZ 3.68Å; D90-K269 PolarHBondContact OD1-NZ 2.84Å
91F85Confident90.2Very high107 Ų10756.8 Ų56.847%0.46927%0.271SS..G310 helixtrans-72.6-8.8170.7-66.9-82.2000113.5F87 L88 L89 S93 V400F87-F91 HydrophobicContact CD2-CE2 4.01Å; F87-F91 HydrophobicContact CE2-CE2 4.12Å; L88-F91 HydrophobicContact CD1-CD2 4.2Å; L88-F91 WeakPolarHBondContact O-CD2 3.4Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 3.39Å; F91-S93 PolarHBondContact O-N 2.8Å; F91-S93 VanDerWaalsContact O-N 3.13Å; F91-V400 HydrophobicContact CB-CG1 4.25Å
92I89.9Confident90.1Very high11 Ų1156.9 Ų56.96%0.05627%0.272CS..SBendtrans-77.1100.4173.8-48.9175.3000109.1L89 D90 V96 I97 I265 V400L89-I92 WeakPolarHBondContact O-CG1 3.5Å; L89-I92 PolarHBondContact O-N 3.46Å; D90-I92 PolarHBondContact O-N 2.82Å; I92-V96 HydrophobicContact CG2-CB 4.3Å; I92-V96 HydrophobicContact CG2-CG1 3.91Å; I92-I97 HydrophobicContact CG2-CD1 4.39Å; I92-I97 HydrophobicContact CG2-CG1 3.74Å; I92-I265 HydrophobicContact CD1-CG2 4.13Å; I92-V400 HydrophobicContact CB-CG2 4.33Å; I92-V400 HydrophobicContact CG1-CG2 3.88Å; I92-V400 HydrophobicContact CG2-CG2 4.35Å
93S91.6Very high90Very high27 Ų2750.1 Ų50.119%0.18924%0.236CC..  trans-73.3159.9-176.266.90000113.4F91 V96 I97 S403F91-S93 PolarHBondContact O-N 2.8Å; F91-S93 VanDerWaalsContact O-N 3.13Å; S93-V96 WeakPolarHBondContact O-CB 3.48Å; S93-V96 PolarHBondContact O-N 3.25Å; S93-V96 VanDerWaalsContact O-N 3.14Å; S93-V96 WeakPolarHBondContact OG-CG2 3.41Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 3.23Å; S93-S403 VanDerWaalsContact CB-OG 3.31Å; S93-S403 WeakPolarHBondContact CB-OG 3.42Å; S93-S403 PolarHBondContact OG-OG 2.87Å
94Y90.8Very high89.8Confident115 Ų11544.1 Ų44.145%0.45121%0.205SC..Hα-helixtrans-55.6-43.5178.8-177.2-88.7000114V96 I97 K98 S273 V366 M370Y94-V96 VanDerWaalsContact C-N 3.34Å; Y94-V96 PolarHBondContact O-N 3.4Å; Y94-I97 PolarHBondContact O-N 2.97Å; Y94-K98 HydrophobicContact CD1-CG 4.18Å; Y94-K98 HydrophobicContact CE1-CG 3.77Å; Y94-K98 VanDerWaalsContact CZ-CE 3.48Å; Y94-K98 WeakPolarHBondContact O-CG 3.28Å; Y94-K98 PolarHBondContact O-N 3.29Å; Y94-K98 WeakPolarHBondContact OH-CE 3.48Å; Y94-S273 VanDerWaalsContact CE2-OG 3.23Å; Y94-S273 WeakPolarHBondContact CE2-OG 3.17Å; Y94-V366 HydrophobicContact CE1-CG1 4.11Å; Y94-M370 HydrophobicContact CD1-CE 3.67Å; Y94-M370 HydrophobicContact CE1-CE 3.78Å
95P93.2Very high89.7Confident16 Ų1634.9 Ų34.910%0.10417%0.171CC..Hα-helixtrans-60.1-39.9174.6-22.733.5000113.6K98 G99 M370 D377 P380 F381P95-K98 PolarHBondContact O-N 2.88Å; P95-G99 PolarHBondContact O-N 3.34Å; P95-M370 HydrophobicContact CB-CE 4Å; P95-M370 HydrophobicContact CB-SD 4.45Å; P95-M370 HydrophobicContact CG-CE 4.07Å; P95-D377 WeakPolarHBondContact CB-O 3.35Å; P95-D377 HydrophobicContact CG-CB 4.26Å; P95-P380 HydrophobicContact CB-CG 4.05Å; P95-P380 HydrophobicContact CG-CG 4.47Å; P95-F381 HydrophobicContact CB-CB 4.06Å; P95-F381 WeakPolarHBondContact O-CD2 3.34Å
96V93.8Very high89.8Confident1 Ų134.2 Ų34.21%0.00617%0.17CC..Hα-helixtrans-63.1-48.4177.5174.30000110.1I92 S93 Y94 K98 G99 F100 P380 T384 G399 V400I92-V96 HydrophobicContact CG2-CB 4.3Å; I92-V96 HydrophobicContact CG2-CG1 3.91Å; S93-V96 WeakPolarHBondContact O-CB 3.48Å; S93-V96 PolarHBondContact O-N 3.25Å; S93-V96 VanDerWaalsContact O-N 3.14Å; S93-V96 WeakPolarHBondContact OG-CG2 3.41Å; Y94-V96 VanDerWaalsContact C-N 3.34Å; Y94-V96 PolarHBondContact O-N 3.4Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 3.37Å; V96-G99 PolarHBondContact O-N 3.32Å; V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.35Å; V96-P380 HydrophobicContact CG2-CB 3.99Å; V96-T384 HydrophobicContact CG1-CG2 4.19Å; V96-G399 VanDerWaalsContact CG2-C 3.43Å; V96-G399 WeakPolarHBondContact CG2-O 3.49Å; V96-V400 HydrophobicContact CG1-CG2 4.35Å
97I91.8Very high90Very high14 Ų1435.4 Ų35.47%0.07218%0.177CC..Hα-helixtrans-56.6-46.8178-64.4160.3000110.4I92 S93 Y94 T101 K269 A270I92-I97 HydrophobicContact CG2-CD1 4.39Å; I92-I97 HydrophobicContact CG2-CG1 3.74Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 3.23Å; Y94-I97 PolarHBondContact O-N 2.97Å; I97-T101 VanDerWaalsContact O-CB 3.31Å; I97-T101 WeakPolarHBondContact O-CB 3.3Å; I97-T101 PolarHBondContact O-N 3.15Å; I97-T101 PolarHBondContact O-OG1 3.24Å; I97-K269 HydrophobicContact CD1-CB 3.85Å; I97-K269 HydrophobicContact CD1-CD 4.01Å; I97-K269 HydrophobicContact CG1-CB 4.3Å; I97-K269 HydrophobicContact CG2-CB 4.48Å; I97-A270 HydrophobicContact CG2-CB 4.08Å
98K91.9Very high90.1Very high17 Ų1731.4 Ų31.47%0.07416%0.16CC..Hα-helixtrans-68.1-39.7-179.1-70.8-69.2-174.2-175.80112.8Y94 P95 V96 T101 C102 S273 V366 F381Y94-K98 HydrophobicContact CD1-CG 4.18Å; Y94-K98 HydrophobicContact CE1-CG 3.77Å; Y94-K98 VanDerWaalsContact CZ-CE 3.48Å; Y94-K98 WeakPolarHBondContact O-CG 3.28Å; Y94-K98 PolarHBondContact O-N 3.29Å; Y94-K98 WeakPolarHBondContact OH-CE 3.48Å; P95-K98 PolarHBondContact O-N 2.88Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 3.37Å; K98-T101 PolarHBondContact O-N 3.13Å; K98-C102 PolarHBondContact O-N 3.27Å; K98-C102 PolarHBondContact O-SG 3.24Å; K98-S273 VanDerWaalsContact CE-OG 3.28Å; K98-S273 WeakPolarHBondContact CE-OG 3.38Å; K98-S273 PolarHBondContact NZ-OG 3.1Å; K98-V366 HydrophobicContact CB-CG1 4.31Å; K98-V366 HydrophobicContact CD-CG1 4.46Å; K98-V366 HydrophobicContact CD-CG2 4.41Å; K98-V366 HydrophobicContact CG-CG1 4.07Å; K98-F381 HydrophobicContact CB-CD2 4.12Å; K98-F381 HydrophobicContact CB-CE2 4.09Å
99G93.3Very high90.5Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-62.1-48.7175.800000111.7P95 V96 T101 C102 A103 F381P95-G99 PolarHBondContact O-N 3.34Å; V96-G99 PolarHBondContact O-N 3.32Å; G99-T101 PolarHBondContact O-N 3.36Å; G99-C102 PolarHBondContact O-N 3.2Å; G99-A103 PolarHBondContact O-N 3.35Å; G99-F381 VanDerWaalsContact CA-CD2 3.45Å; G99-F381 VanDerWaalsContact CA-CE2 3.42Å; G99-F381 VanDerWaalsContact N-CD2 3.3Å
100F91.8Very high90.9Very high1 Ų129 Ų290%0.00415%0.15CC..Hα-helixtrans-60.8-44.6176.3156.6-100.2000111.9V96 C102 A103 A104 A266 F307 T384 V392 I396V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.35Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.97Å; F100-A103 PolarHBondContact O-N 3.2Å; F100-A104 VanDerWaalsContact O-CB 3.27Å; F100-A104 WeakPolarHBondContact O-CB 3.46Å; F100-A104 PolarHBondContact O-N 3.12Å; F100-A266 HydrophobicContact CD1-CB 4Å; F100-A266 HydrophobicContact CE1-CB 3.31Å; F100-A266 HydrophobicContact CE2-CB 4.21Å; F100-A266 HydrophobicContact CZ-CB 3.43Å; F100-A266 VanDerWaalsContact CZ-CB 3.43Å; F100-F307 HydrophobicContact CD1-CZ 4.15Å; F100-F307 HydrophobicContact CE1-CE1 4.21Å; F100-F307 AromaticContact CE1-CE2 3.93Å; F100-F307 HydrophobicContact CE1-CE2 3.93Å; F100-F307 AromaticContact CE1-CZ 3.25Å; F100-F307 HydrophobicContact CE1-CZ 3.25Å; F100-F307 AromaticContact CE2-CE2 3.97Å; F100-F307 HydrophobicContact CE2-CE2 3.97Å; F100-F307 AromaticContact CE2-CZ 3.99Å; F100-F307 HydrophobicContact CE2-CZ 3.99Å; F100-F307 HydrophobicContact CZ-CE1 4.43Å; F100-F307 AromaticContact CZ-CE2 3.33Å; F100-F307 HydrophobicContact CZ-CE2 3.33Å; F100-F307 AromaticContact CZ-CZ 3.17Å; F100-F307 HydrophobicContact CZ-CZ 3.17Å; F100-T384 HydrophobicContact CB-CG2 3.6Å; F100-T384 VanDerWaalsContact N-CG2 3.32Å; F100-V392 HydrophobicContact CD2-CG1 3.68Å; F100-V392 HydrophobicContact CE2-CG1 3.19Å; F100-V392 HydrophobicContact CZ-CG1 4.33Å; F100-I396 HydrophobicContact CB-CG1 4.4Å; F100-I396 HydrophobicContact CD2-CD1 3.67Å; F100-I396 HydrophobicContact CD2-CG1 3.53Å; F100-I396 HydrophobicContact CE2-CD1 3.43Å; F100-I396 VanDerWaalsContact CE2-CD1 3.43Å; F100-I396 HydrophobicContact CE2-CG1 3.88Å; F100-I396 HydrophobicContact CG-CD1 4.42Å; F100-I396 HydrophobicContact CG-CG1 4.06Å; F100-I396 HydrophobicContact CZ-CD1 4.04Å
101T91.5Very high91.1Very high5 Ų524.3 Ų24.33%0.03113%0.126CC..Hα-helixtrans-61.6-43179.7-560000111.3I97 K98 G99 A105 A270 M361I97-T101 VanDerWaalsContact O-CB 3.31Å; I97-T101 WeakPolarHBondContact O-CB 3.3Å; I97-T101 PolarHBondContact O-N 3.15Å; I97-T101 PolarHBondContact O-OG1 3.24Å; K98-T101 PolarHBondContact O-N 3.13Å; G99-T101 PolarHBondContact O-N 3.36Å; T101-A105 WeakPolarHBondContact O-CB 3.37Å; T101-A105 PolarHBondContact O-N 3.21Å; T101-A270 HydrophobicContact CG2-CB 4.15Å; T101-A270 WeakPolarHBondContact OG1-CB 3.45Å; T101-M361 HydrophobicContact CG2-CB 4.07Å; T101-M361 HydrophobicContact CG2-CE 3.68Å
102C92.7Very high91.3Very high7 Ų720.2 Ų20.25%0.04711%0.109CC..Hα-helixtrans-65.8-44.9177.5-67.40000111.5K98 G99 F100 A105 V106 F385K98-C102 PolarHBondContact O-N 3.27Å; K98-C102 PolarHBondContact O-SG 3.24Å; G99-C102 PolarHBondContact O-N 3.2Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.97Å; C102-A105 PolarHBondContact O-N 3.32Å; C102-V106 WeakPolarHBondContact O-CG2 3.35Å; C102-V106 PolarHBondContact O-N 2.97Å; C102-F385 HydrophobicContact CB-CD2 3.87Å; C102-F385 HydrophobicContact CB-CE2 3.9Å
103A93.1Very high91.5Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-63.5-46.3177.600000111.6G99 F100 A105 V106 T107 F385G99-A103 PolarHBondContact O-N 3.35Å; F100-A103 PolarHBondContact O-N 3.2Å; A103-A105 VanDerWaalsContact C-N 3.33Å; A103-A105 PolarHBondContact O-N 3.39Å; A103-V106 PolarHBondContact O-N 3.43Å; A103-T107 WeakPolarHBondContact O-CB 3.29Å; A103-T107 PolarHBondContact O-N 3.46Å; A103-T107 PolarHBondContact O-OG1 3.1Å; A103-T107 VanDerWaalsContact O-OG1 3.07Å; A103-F385 HydrophobicContact CB-CD2 3.87Å; A103-F385 HydrophobicContact CB-CE2 4.33Å; A103-F385 WeakPolarHBondContact CB-O 3.4Å
104A89.8Confident91.4Very high3 Ų321.8 Ų21.83%0.02512%0.115CC..Hα-helixtrans-59.2-42.6176.500000111.9F100 V106 T107 I108 F307F100-A104 VanDerWaalsContact O-CB 3.27Å; F100-A104 WeakPolarHBondContact O-CB 3.46Å; F100-A104 PolarHBondContact O-N 3.12Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-T107 PolarHBondContact O-N 2.84Å; A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.31Å; A104-I108 WeakPolarHBondContact O-CD1 3.4Å; A104-I108 WeakPolarHBondContact O-CG1 3.5Å; A104-I108 PolarHBondContact O-N 3.14Å; A104-F307 HydrophobicContact CB-CD1 4.5Å; A104-F307 HydrophobicContact CB-CD2 4.31Å; A104-F307 HydrophobicContact CB-CE1 3.95Å; A104-F307 HydrophobicContact CB-CE2 3.72Å; A104-F307 HydrophobicContact CB-CZ 3.46Å; A104-F307 VanDerWaalsContact CB-CZ 3.46Å
105A90.9Very high91.3Very high4 Ų417.5 Ų17.53%0.03310%0.1CC..Hα-helixtrans-63.1-40.8176.600000112.4T101 C102 A103 G109 V358 M361 V362T101-A105 WeakPolarHBondContact O-CB 3.37Å; T101-A105 PolarHBondContact O-N 3.21Å; C102-A105 PolarHBondContact O-N 3.32Å; A103-A105 VanDerWaalsContact C-N 3.33Å; A103-A105 PolarHBondContact O-N 3.39Å; A105-G109 WeakPolarHBondContact O-CA 3.44Å; A105-G109 PolarHBondContact O-N 3.2Å; A105-V358 HydrophobicContact CB-CB 4.43Å; A105-M361 HydrophobicContact CB-CB 3.99Å; A105-V362 HydrophobicContact CB-CG2 3.61Å
106V93Very high91.2Very high52 Ų5217.4 Ų17.432%0.31510%0.099SC..Hα-helixtrans-66.9-48.9175.7173.30000111.2C102 A103 A104 G109 F110 F126 V362 F389C102-V106 WeakPolarHBondContact O-CG2 3.35Å; C102-V106 PolarHBondContact O-N 2.97Å; A103-V106 PolarHBondContact O-N 3.43Å; A104-V106 PolarHBondContact O-N 3.28Å; V106-G109 PolarHBondContact O-N 2.94Å; V106-F110 WeakPolarHBondContact O-CB 3.33Å; V106-F110 PolarHBondContact O-N 3.03Å; V106-F126 HydrophobicContact CG1-CE2 4.22Å; V106-F126 HydrophobicContact CG1-CZ 4.09Å; V106-V362 HydrophobicContact CG2-CG2 4.49Å; V106-F389 HydrophobicContact CB-CE1 4.18Å; V106-F389 HydrophobicContact CG1-CE1 3.82Å; V106-F389 HydrophobicContact CG1-CZ 4.29Å
107T89.9Confident91.1Very high27 Ų2718.8 Ų18.817%0.16611%0.106CC..Hα-helixtrans-61.4-47.4179.4-59.50000111.6A103 A104 G111 F126A103-T107 WeakPolarHBondContact O-CB 3.29Å; A103-T107 PolarHBondContact O-N 3.46Å; A103-T107 PolarHBondContact O-OG1 3.1Å; A103-T107 VanDerWaalsContact O-OG1 3.07Å; A104-T107 PolarHBondContact O-N 2.84Å; T107-G111 PolarHBondContact O-N 3Å; T107-F126 HydrophobicContact CG2-CB 4.37Å; T107-F126 HydrophobicContact CG2-CD2 4.02Å
108I87.9Confident90.8Very high38 Ų3818.4 Ų18.420%0.19511%0.105CC..Hα-helixtrans-67.9-40.5179.1-65.3166.7000110.9A104 Q112 F307 I354 V358A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.31Å; A104-I108 WeakPolarHBondContact O-CD1 3.4Å; A104-I108 WeakPolarHBondContact O-CG1 3.5Å; A104-I108 PolarHBondContact O-N 3.14Å; I108-Q112 VanDerWaalsContact O-CG 3.29Å; I108-Q112 WeakPolarHBondContact O-CG 3.45Å; I108-Q112 PolarHBondContact O-N 3.14Å; I108-Q112 PolarHBondContact O-NE2 3.4Å; I108-F307 HydrophobicContact CD1-CB 3.39Å; I108-F307 HydrophobicContact CD1-CD2 4.13Å; I108-F307 HydrophobicContact CD1-CG 3.83Å; I108-I354 HydrophobicContact CG2-CG2 3.54Å; I108-V358 HydrophobicContact CB-CG1 4.46Å; I108-V358 HydrophobicContact CG2-CG1 3.9Å; I108-V358 HydrophobicContact CG2-CG2 4.45Å
109G90.8Very high90.7Very high15 Ų1518.1 Ų18.116%0.15510%0.104CC..Hα-helixtrans-61.8-50177.300000111.8A105 V106 Q112A105-G109 WeakPolarHBondContact O-CA 3.44Å; A105-G109 PolarHBondContact O-N 3.2Å; V106-G109 PolarHBondContact O-N 2.94Å; G109-Q112 WeakPolarHBondContact O-CB 3.33Å; G109-Q112 PolarHBondContact O-N 3.4Å
110F91.7Very high90.2Very high44 Ų4424.3 Ų24.319%0.19313%0.128CC..Hα-helixtrans-66.5-40.2178.4-165.9-84.2000112V106 Q112 V113 F126 E129 V130 T133 F134V106-F110 WeakPolarHBondContact O-CB 3.33Å; V106-F110 PolarHBondContact O-N 3.03Å; F110-Q112 PolarHBondContact O-N 3.24Å; F110-V113 HydrophobicContact CD2-CG2 4.48Å; F110-V113 VanDerWaalsContact O-CB 3.24Å; F110-V113 WeakPolarHBondContact O-CB 3.48Å; F110-V113 WeakPolarHBondContact O-CG2 3.44Å; F110-V113 PolarHBondContact O-N 2.9Å; F110-F126 HydrophobicContact CB-CE2 3.95Å; F110-F126 HydrophobicContact CG-CE2 4.28Å; F110-E129 HydrophobicContact CD1-CG 4.36Å; F110-E129 HydrophobicContact CE1-CG 4.45Å; F110-V130 HydrophobicContact CD1-CG2 3.67Å; F110-V130 HydrophobicContact CD2-CG2 4.44Å; F110-V130 VanDerWaalsContact CE1-CA 3.43Å; F110-V130 HydrophobicContact CE1-CB 3.96Å; F110-V130 HydrophobicContact CE1-CG1 4.5Å; F110-V130 HydrophobicContact CE1-CG2 3.47Å; F110-V130 VanDerWaalsContact CE1-CG2 3.47Å; F110-V130 HydrophobicContact CE2-CG2 4.23Å; F110-V130 HydrophobicContact CG-CG2 4.18Å; F110-V130 HydrophobicContact CZ-CB 4.08Å; F110-V130 HydrophobicContact CZ-CG1 4.11Å; F110-V130 HydrophobicContact CZ-CG2 3.76Å; F110-T133 HydrophobicContact CE1-CG2 4.37Å; F110-T133 HydrophobicContact CZ-CG2 4.33Å; F110-F134 HydrophobicContact CE2-CE2 4.2Å; F110-F134 AromaticContact CZ-CE2 3.97Å; F110-F134 HydrophobicContact CZ-CE2 3.97Å
111G88.4Confident89.6Confident6 Ų630 Ų306%0.06216%0.158CC..THydrogen-bonded Turntrans-65-10.1178.200000114.6T107 K114 E129T107-G111 PolarHBondContact O-N 3Å; G111-K114 WeakPolarHBondContact O-CE 3.33Å; G111-K114 WeakPolarHBondContact O-CG 3.45Å; G111-E129 VanDerWaalsContact CA-CD 3.45Å; G111-E129 WeakPolarHBondContact CA-OE1 3.46Å; G111-E129 WeakPolarHBondContact CA-OE2 3.33Å
112Q90.6Very high89.2Confident22 Ų2230.2 Ų30.210%0.10316%0.16CC..THydrogen-bonded Turntrans-85.9-18.7170.1-66.7-13.7-64.600113.6I108 G109 F110 K114 N115 I116 A351 I354 I355I108-Q112 VanDerWaalsContact O-CG 3.29Å; I108-Q112 WeakPolarHBondContact O-CG 3.45Å; I108-Q112 PolarHBondContact O-N 3.14Å; I108-Q112 PolarHBondContact O-NE2 3.4Å; G109-Q112 WeakPolarHBondContact O-CB 3.33Å; G109-Q112 PolarHBondContact O-N 3.4Å; F110-Q112 PolarHBondContact O-N 3.24Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.47Å; Q112-N115 WeakPolarHBondContact O-CB 3.26Å; Q112-N115 PolarHBondContact O-N 3.06Å; Q112-N115 PolarHBondContact OE1-ND2 2.81Å; Q112-I116 PolarHBondContact O-N 3.1Å; Q112-A351 HydrophobicContact CB-CB 4.08Å; Q112-I354 HydrophobicContact CG-CB 3.81Å; Q112-I354 HydrophobicContact CG-CG2 3.67Å; Q112-I355 HydrophobicContact CB-CD1 3.62Å; Q112-I355 HydrophobicContact CB-CG1 3.56Å; Q112-I355 HydrophobicContact CG-CG1 4.06Å
113V92.4Very high88.7Confident47 Ų4731.9 Ų31.929%0.28517%0.171SC..Hα-helixtrans-60.4-42.6-177.5176.10000111.2F110 N115 I116 L117 T133F110-V113 HydrophobicContact CD2-CG2 4.48Å; F110-V113 VanDerWaalsContact O-CB 3.24Å; F110-V113 WeakPolarHBondContact O-CB 3.48Å; F110-V113 WeakPolarHBondContact O-CG2 3.44Å; F110-V113 PolarHBondContact O-N 2.9Å; V113-N115 PolarHBondContact O-N 3.37Å; V113-N115 VanDerWaalsContact O-N 3.14Å; V113-I116 PolarHBondContact O-N 3.11Å; V113-L117 HydrophobicContact CG1-CD1 3.97Å; V113-L117 HydrophobicContact CG1-CG 4.27Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.38Å; V113-T133 HydrophobicContact CG1-CG2 4.03Å
114K89.5Confident87.7Confident24 Ų2436.1 Ų36.110%0.10419%0.19CC..Hα-helixtrans-55.2-34175.266.6-175.7175.5-159.10113.6G111 Q112 L117 G118 I119 V122 E129G111-K114 WeakPolarHBondContact O-CE 3.33Å; G111-K114 WeakPolarHBondContact O-CG 3.45Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.47Å; K114-L117 PolarHBondContact O-N 2.99Å; K114-G118 PolarHBondContact O-N 3.36Å; K114-I119 PolarHBondContact O-N 3.38Å; K114-V122 HydrophobicContact CB-CG2 4.25Å; K114-V122 HydrophobicContact CD-CB 3.76Å; K114-V122 HydrophobicContact CD-CG1 4.11Å; K114-V122 HydrophobicContact CD-CG2 4.23Å; K114-E129 WeakPolarHBondContact CD-OE1 3.43Å; K114-E129 WeakPolarHBondContact CE-OE1 3.44Å; K114-E129 IonicContact NZ-OE1 2.8Å; K114-E129 PolarHBondContact NZ-OE1 3.43Å
115N88.8Confident87.4Confident24 Ų2439.2 Ų39.213%0.12820%0.204CC..Hα-helixtrans-78.9-26.8179.2-66-66.2000112.8R5 Q112 V113 K347 A348 A351R5-N115 VanDerWaalsContact NH2-CG 3.35Å; R5-N115 PolarHBondContact NH2-ND2 3.35Å; Q112-N115 WeakPolarHBondContact O-CB 3.26Å; Q112-N115 PolarHBondContact O-N 3.06Å; Q112-N115 PolarHBondContact OE1-ND2 2.81Å; V113-N115 PolarHBondContact O-N 3.37Å; V113-N115 VanDerWaalsContact O-N 3.14Å; N115-K347 HydrophobicContact CB-CB 4.47Å; N115-A348 WeakPolarHBondContact O-CA 3.35Å; N115-A351 HydrophobicContact CB-CB 3.74Å
116I91.4Very high87.2Confident15 Ų1540.1 Ų40.18%0.07721%0.207CC..Hα-helixtrans-71.5-40168.9-67.9-178.2000109.7Q112 V113 G118 D144 V145 A351 I355Q112-I116 PolarHBondContact O-N 3.1Å; V113-I116 PolarHBondContact O-N 3.11Å; I116-G118 PolarHBondContact O-N 3.49Å; I116-D144 CarbonylContact O-C 3.51Å; I116-V145 VanDerWaalsContact O-CA 3.27Å; I116-V145 WeakPolarHBondContact O-CA 3.26Å; I116-V145 PolarHBondContact O-N 3.09Å; I116-V145 VanDerWaalsContact O-N 3.1Å; I116-A351 HydrophobicContact CD1-CB 4.42Å; I116-A351 HydrophobicContact CG1-CB 3.68Å; I116-I355 HydrophobicContact CD1-CD1 3.51Å; I116-I355 HydrophobicContact CG1-CD1 4.49Å
117L91.2Very high87.1Confident29 Ų2942.4 Ų42.415%0.15221%0.213CC..Hα-helixtrans-73.5-15.1177.9-61.8176.8000113.4V113 K114 I119 T133 I137 A140 R141 V145V113-L117 HydrophobicContact CG1-CD1 3.97Å; V113-L117 HydrophobicContact CG1-CG 4.27Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.38Å; K114-L117 PolarHBondContact O-N 2.99Å; L117-I119 HydrophobicContact CB-CD1 3.59Å; L117-I119 HydrophobicContact CB-CG1 3.75Å; L117-I119 HydrophobicContact CD1-CD1 3.65Å; L117-I119 HydrophobicContact CG-CD1 4.26Å; L117-I119 PolarHBondContact O-N 3.47Å; L117-T133 HydrophobicContact CD1-CG2 3.89Å; L117-I137 HydrophobicContact CD1-CG1 4.42Å; L117-A140 HydrophobicContact CB-CB 4.13Å; L117-A140 HydrophobicContact CD2-CB 4.34Å; L117-A140 CarbonylContact O-C 3.52Å; L117-A140 VanDerWaalsContact O-CA 3.27Å; L117-A140 WeakPolarHBondContact O-CA 3.35Å; L117-A140 WeakPolarHBondContact O-CB 3.35Å; L117-R141 PolarHBondContact O-N 3.1Å; L117-V145 HydrophobicContact CD2-CG2 3.93Å
118G87.3Confident87Confident6 Ų644.3 Ų44.36%0.06222%0.222CC..THydrogen-bonded Turntrans71.717.1-176.300000114.1K114 I116 D144K114-G118 PolarHBondContact O-N 3.36Å; I116-G118 PolarHBondContact O-N 3.49Å; G118-D144 WeakPolarHBondContact CA-OD2 3.48Å
119I88.6Confident87Confident11 Ų1142.9 Ų42.96%0.05622%0.215CC..  trans-81.2141.6-177.3-59.5166.9000109.8K114 L117 V122 K136 A140K114-I119 PolarHBondContact O-N 3.38Å; L117-I119 HydrophobicContact CB-CD1 3.59Å; L117-I119 HydrophobicContact CB-CG1 3.75Å; L117-I119 HydrophobicContact CD1-CD1 3.65Å; L117-I119 HydrophobicContact CG-CD1 4.26Å; L117-I119 PolarHBondContact O-N 3.47Å; I119-V122 HydrophobicContact CG2-CG2 3.86Å; I119-K136 HydrophobicContact CD1-CB 4.13Å; I119-K136 VanDerWaalsContact CD1-O 3.27Å; I119-K136 WeakPolarHBondContact CD1-O 3.17Å; I119-K136 HydrophobicContact CG2-CB 3.68Å; I119-K136 HydrophobicContact CG2-CD 3.71Å; I119-K136 HydrophobicContact CG2-CG 4.38Å; I119-A140 HydrophobicContact CG1-CB 4.49Å
120R83.1Confident87.1Confident130 Ų13044 Ų4449%0.49122%0.218SC..  trans-110163.4179.3-60.1-179.3-176.3177.8-1.7111.3V122 K136R120-V122 PolarHBondContact O-N 3.33Å; R120-K136 PolarHBondContact O-NZ 3.2Å
121D79.5Confident87.2Confident121 Ų12148.9 Ų48.965%0.64724%0.236SC*.  trans56.753.2173.2-47.7-46.7000113.2K136D121-K136 PolarHBondContact O-NZ 3.46Å
122V82.5Confident87.3Confident9 Ų953 Ų536%0.05525%0.251CS..  trans-106128172.3-178.70000108.4K114 I119 R120 E129K114-V122 HydrophobicContact CB-CG2 4.25Å; K114-V122 HydrophobicContact CD-CB 3.76Å; K114-V122 HydrophobicContact CD-CG1 4.11Å; K114-V122 HydrophobicContact CD-CG2 4.23Å; I119-V122 HydrophobicContact CG2-CG2 3.86Å; R120-V122 PolarHBondContact O-N 3.33Å; V122-E129 HydrophobicContact CG1-CB 4.27Å; V122-E129 HydrophobicContact CG1-CG 3.89Å
123P81.6Confident87.3Confident43 Ų4352 Ų5228%0.27925%0.246SC..  trans-55.3157177.1-2635.1000113.5L128 E129 Y132P123-L128 HydrophobicContact CB-CB 3.88Å; P123-L128 HydrophobicContact CB-CD2 4.18Å; P123-L128 HydrophobicContact CG-CB 4.16Å; P123-L128 HydrophobicContact CG-CD2 4.27Å; P123-E129 WeakPolarHBondContact O-CB 3.3Å; P123-Y132 HydrophobicContact CG-CD2 3.76Å; P123-Y132 HydrophobicContact CG-CE2 4.01Å; P123-Y132 HydrophobicContact CG-CG 4.48Å
124H72.6Confident87.4Confident89 Ų8955.9 Ų55.941%0.41226%0.259SS..SBendtrans-86.8-18.8-179.7-69.3-60.1000114.5S9 T13 F126S9-H124 PolarHBondContact O-CE1 2.86Å; S9-H124 PolarHBondContact O-NE2 3.38Å; T13-H124 PolarHBondContact OG1-NE2 3.19Å; H124-F126 PolarHBondContact O-N 2.95Å
125Q83.1Confident87.5Confident67 Ų6760.6 Ų60.631%0.31328%0.281SS..SBendtrans-71.6128.4178.3-171.9-178.50.200109.7F127 L128 E129Q125-F127 PolarHBondContact O-N 3.24Å; Q125-L128 HydrophobicContact CB-CD1 4.3Å; Q125-L128 HydrophobicContact CG-CD1 4.26Å; Q125-L128 PolarHBondContact O-N 3.06Å; Q125-L128 VanDerWaalsContact O-N 3.08Å; Q125-E129 WeakPolarHBondContact O-CB 3.38Å; Q125-E129 PolarHBondContact O-N 2.88Å
126F87.5Confident87.7Confident24 Ų2461.1 Ų61.111%0.10528%0.283CS..Hα-helixtrans-52-49-167.9178-103.9000114.2V106 T107 F110 H124 L128 E129 V130 F389V106-F126 HydrophobicContact CG1-CE2 4.22Å; V106-F126 HydrophobicContact CG1-CZ 4.09Å; T107-F126 HydrophobicContact CG2-CB 4.37Å; T107-F126 HydrophobicContact CG2-CD2 4.02Å; F110-F126 HydrophobicContact CB-CE2 3.95Å; F110-F126 HydrophobicContact CG-CE2 4.28Å; H124-F126 PolarHBondContact O-N 2.95Å; F126-L128 PolarHBondContact O-N 3.29Å; F126-E129 WeakPolarHBondContact O-CB 3.43Å; F126-E129 PolarHBondContact O-N 3.48Å; F126-V130 HydrophobicContact CD1-CG2 4.41Å; F126-V130 HydrophobicContact CD2-CG2 4.34Å; F126-V130 HydrophobicContact CE1-CG2 4.1Å; F126-V130 HydrophobicContact CE2-CG2 4.03Å; F126-V130 HydrophobicContact CZ-CG2 3.91Å; F126-V130 VanDerWaalsContact O-CG2 3.26Å; F126-V130 WeakPolarHBondContact O-CG2 3.49Å; F126-V130 PolarHBondContact O-N 3.4Å; F126-F389 VanDerWaalsContact CB-O 3.31Å; F126-F389 WeakPolarHBondContact CB-O 3.11Å; F126-F389 HydrophobicContact CD1-CB 3.84Å; F126-F389 AromaticContact CD1-CD1 3.44Å; F126-F389 HydrophobicContact CD1-CD1 3.44Å; F126-F389 VanDerWaalsContact CD1-CD1 3.44Å; F126-F389 HydrophobicContact CD1-CE1 4.27Å; F126-F389 AromaticContact CD1-CG 3.89Å; F126-F389 HydrophobicContact CD1-CG 3.89Å; F126-F389 HydrophobicContact CD2-CD1 4.3Å; F126-F389 HydrophobicContact CE1-CB 4.38Å; F126-F389 AromaticContact CE1-CD1 3.35Å; F126-F389 HydrophobicContact CE1-CD1 3.35Å; F126-F389 AromaticContact CE1-CE1 3.75Å; F126-F389 HydrophobicContact CE1-CE1 3.75Å; F126-F389 AromaticContact CE1-CG 3.96Å; F126-F389 HydrophobicContact CE1-CG 3.96Å; F126-F389 HydrophobicContact CE2-CD1 4.22Å; F126-F389 HydrophobicContact CE2-CE1 4.31Å; F126-F389 HydrophobicContact CG-CB 4.48Å; F126-F389 AromaticContact CG-CD1 3.92Å; F126-F389 HydrophobicContact CG-CD1 3.92Å; F126-F389 AromaticContact CZ-CD1 3.77Å; F126-F389 HydrophobicContact CZ-CD1 3.77Å; F126-F389 AromaticContact CZ-CE1 3.76Å; F126-F389 HydrophobicContact CZ-CE1 3.76Å
127F90.1Very high87.7Confident99 Ų9964.1 Ų64.143%0.43430%0.298SS..Hα-helixtrans-64.2-40.8-178.6-65.8-71.6000112.8Q125 Y131 F389 W390Q125-F127 PolarHBondContact O-N 3.24Å; F127-Y131 WeakPolarHBondContact O-CB 3.35Å; F127-Y131 PolarHBondContact O-N 3Å; F127-F389 HydrophobicContact CE2-CB 3.76Å; F127-F389 HydrophobicContact CZ-CB 3.68Å; F127-F389 HydrophobicContact CZ-CG 4.48Å; F127-W390 HydrophobicContact CD2-CE3 4.11Å; F127-W390 HydrophobicContact CD2-CZ3 4.39Å; F127-W390 AromaticContact CE2-CE3 3.95Å; F127-W390 HydrophobicContact CE2-CE3 3.95Å; F127-W390 HydrophobicContact CE2-CZ3 4.49Å
128L88.7Confident87.7Confident67 Ų6768.4 Ų68.435%0.35133%0.328SS..Hα-helixtrans-68.5-41.8175-79.373000110.1P123 Q125 F126 V130 Y131 Y132P123-L128 HydrophobicContact CB-CB 3.88Å; P123-L128 HydrophobicContact CB-CD2 4.18Å; P123-L128 HydrophobicContact CG-CB 4.16Å; P123-L128 HydrophobicContact CG-CD2 4.27Å; Q125-L128 HydrophobicContact CB-CD1 4.3Å; Q125-L128 HydrophobicContact CG-CD1 4.26Å; Q125-L128 PolarHBondContact O-N 3.06Å; Q125-L128 VanDerWaalsContact O-N 3.08Å; F126-L128 PolarHBondContact O-N 3.29Å; L128-V130 VanDerWaalsContact C-N 3.31Å; L128-V130 PolarHBondContact O-N 2.81Å; L128-Y131 PolarHBondContact O-N 2.95Å; L128-Y132 HydrophobicContact CB-CD2 4.2Å; L128-Y132 HydrophobicContact CB-CE2 4.45Å; L128-Y132 WeakPolarHBondContact O-CB 3.09Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.35Å
129E88Confident87.9Confident9 Ų974 Ų744%0.04235%0.352CS..Hα-helixtrans-57.2-46177-178164-139.500111.1F110 G111 K114 V122 P123 Q125 F126 T133F110-E129 HydrophobicContact CD1-CG 4.36Å; F110-E129 HydrophobicContact CE1-CG 4.45Å; G111-E129 VanDerWaalsContact CA-CD 3.45Å; G111-E129 WeakPolarHBondContact CA-OE1 3.46Å; G111-E129 WeakPolarHBondContact CA-OE2 3.33Å; K114-E129 WeakPolarHBondContact CD-OE1 3.43Å; K114-E129 WeakPolarHBondContact CE-OE1 3.44Å; K114-E129 IonicContact NZ-OE1 2.8Å; K114-E129 PolarHBondContact NZ-OE1 3.43Å; V122-E129 HydrophobicContact CG1-CB 4.27Å; V122-E129 HydrophobicContact CG1-CG 3.89Å; P123-E129 WeakPolarHBondContact O-CB 3.3Å; Q125-E129 WeakPolarHBondContact O-CB 3.38Å; Q125-E129 PolarHBondContact O-N 2.88Å; F126-E129 WeakPolarHBondContact O-CB 3.43Å; F126-E129 PolarHBondContact O-N 3.48Å; E129-T133 WeakPolarHBondContact O-CB 3.39Å; E129-T133 PolarHBondContact O-N 3.03Å; E129-T133 PolarHBondContact O-OG1 3Å
130V92.3Very high88Confident38 Ų3874.7 Ų74.723%0.2336%0.36CS..Hα-helixtrans-58.5-55.7173.9174.20000110.9F110 F126 L128 Y132 T133 F134F110-V130 HydrophobicContact CD1-CG2 3.67Å; F110-V130 HydrophobicContact CD2-CG2 4.44Å; F110-V130 VanDerWaalsContact CE1-CA 3.43Å; F110-V130 HydrophobicContact CE1-CB 3.96Å; F110-V130 HydrophobicContact CE1-CG1 4.5Å; F110-V130 HydrophobicContact CE1-CG2 3.47Å; F110-V130 VanDerWaalsContact CE1-CG2 3.47Å; F110-V130 HydrophobicContact CE2-CG2 4.23Å; F110-V130 HydrophobicContact CG-CG2 4.18Å; F110-V130 HydrophobicContact CZ-CB 4.08Å; F110-V130 HydrophobicContact CZ-CG1 4.11Å; F110-V130 HydrophobicContact CZ-CG2 3.76Å; F126-V130 HydrophobicContact CD1-CG2 4.41Å; F126-V130 HydrophobicContact CD2-CG2 4.34Å; F126-V130 HydrophobicContact CE1-CG2 4.1Å; F126-V130 HydrophobicContact CE2-CG2 4.03Å; F126-V130 HydrophobicContact CZ-CG2 3.91Å; F126-V130 VanDerWaalsContact O-CG2 3.26Å; F126-V130 WeakPolarHBondContact O-CG2 3.49Å; F126-V130 PolarHBondContact O-N 3.4Å; L128-V130 VanDerWaalsContact C-N 3.31Å; L128-V130 PolarHBondContact O-N 2.81Å; V130-Y132 PolarHBondContact O-N 3.29Å; V130-T133 PolarHBondContact O-N 3.48Å; V130-F134 HydrophobicContact CG1-CD2 3.88Å; V130-F134 HydrophobicContact CG1-CE2 3.84Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-F134 PolarHBondContact O-N 3.17Å; V130-F134 VanDerWaalsContact O-N 3.1Å
131Y93.4Very high88.3Confident147 Ų14773 Ų7358%0.57635%0.353SS*.Hα-helixtrans-57.5-52.1-177.7177.2-97.9000112.6F127 L128 T133 F134 H135F127-Y131 WeakPolarHBondContact O-CB 3.35Å; F127-Y131 PolarHBondContact O-N 3Å; L128-Y131 PolarHBondContact O-N 2.95Å; Y131-T133 PolarHBondContact O-N 3.4Å; Y131-F134 PolarHBondContact O-N 2.88Å; Y131-H135 WeakPolarHBondContact O-CB 3.39Å; Y131-H135 PolarHBondContact O-N 3.31Å
132Y90.9Very high88.9Confident92 Ų9272.7 Ų72.736%0.36136%0.356SS..Hα-helixtrans-69.8-31.2-178.6-79.5-75.8000112.7P123 L128 V130 H135 K136P123-Y132 HydrophobicContact CG-CD2 3.76Å; P123-Y132 HydrophobicContact CG-CE2 4.01Å; P123-Y132 HydrophobicContact CG-CG 4.48Å; L128-Y132 HydrophobicContact CB-CD2 4.2Å; L128-Y132 HydrophobicContact CB-CE2 4.45Å; L128-Y132 WeakPolarHBondContact O-CB 3.09Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.35Å; V130-Y132 PolarHBondContact O-N 3.29Å; Y132-H135 PolarHBondContact O-N 3.43Å; Y132-K136 WeakPolarHBondContact O-CB 3.42Å; Y132-K136 PolarHBondContact O-N 3.05Å
133T91.5Very high89.3Confident2 Ų273 Ų731%0.01236%0.361CS..Hα-helixtrans-63-44.9173.9-62.70000110.6F110 V113 L117 E129 V130 Y131 I137F110-T133 HydrophobicContact CE1-CG2 4.37Å; F110-T133 HydrophobicContact CZ-CG2 4.33Å; V113-T133 HydrophobicContact CG1-CG2 4.03Å; L117-T133 HydrophobicContact CD1-CG2 3.89Å; E129-T133 WeakPolarHBondContact O-CB 3.39Å; E129-T133 PolarHBondContact O-N 3.03Å; E129-T133 PolarHBondContact O-OG1 3Å; V130-T133 PolarHBondContact O-N 3.48Å; Y131-T133 PolarHBondContact O-N 3.4Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.33Å; T133-I137 PolarHBondContact O-N 2.6Å
134F92.8Very high89.7Confident127 Ų12771 Ų7156%0.55735%0.348SS*.Hα-helixtrans-68.9-38.5176.3-78.6-70.2000112.7F110 V130 Y131 I137F110-F134 HydrophobicContact CE2-CE2 4.2Å; F110-F134 AromaticContact CZ-CE2 3.97Å; F110-F134 HydrophobicContact CZ-CE2 3.97Å; V130-F134 HydrophobicContact CG1-CD2 3.88Å; V130-F134 HydrophobicContact CG1-CE2 3.84Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-F134 PolarHBondContact O-N 3.17Å; V130-F134 VanDerWaalsContact O-N 3.1Å; Y131-F134 PolarHBondContact O-N 2.88Å; F134-I137 HydrophobicContact CD1-CD1 3.65Å; F134-I137 HydrophobicContact CE1-CD1 4.34Å; F134-I137 HydrophobicContact CG-CD1 4.47Å; F134-I137 WeakPolarHBondContact O-CG1 3.31Å; F134-I137 PolarHBondContact O-N 2.87Å
135H93.2Very high90.8Very high123 Ų12368.3 Ų68.357%0.56934%0.338SS*.Hα-helixtrans-65.6-39.6179.4-170.370.3000112.7Y131 Y132 P138Y131-H135 WeakPolarHBondContact O-CB 3.39Å; Y131-H135 PolarHBondContact O-N 3.31Å; Y132-H135 PolarHBondContact O-N 3.43Å; H135-P138 WeakPolarHBondContact O-CD 3.42Å
136K92.4Very high91.3Very high35 Ų3569 Ų6915%0.15235%0.347CS..THydrogen-bonded Turntrans-90.610.9-178.2-66.8-171.9173.1-175.70114.4I119 R120 D121 Y132 P138 E139I119-K136 HydrophobicContact CD1-CB 4.13Å; I119-K136 VanDerWaalsContact CD1-O 3.27Å; I119-K136 WeakPolarHBondContact CD1-O 3.17Å; I119-K136 HydrophobicContact CG2-CB 3.68Å; I119-K136 HydrophobicContact CG2-CD 3.71Å; I119-K136 HydrophobicContact CG2-CG 4.38Å; R120-K136 PolarHBondContact O-NZ 3.2Å; D121-K136 PolarHBondContact O-NZ 3.46Å; Y132-K136 WeakPolarHBondContact O-CB 3.42Å; Y132-K136 PolarHBondContact O-N 3.05Å; K136-P138 VanDerWaalsContact C-N 3.25Å; K136-E139 WeakPolarHBondContact O-CB 3.2Å; K136-E139 PolarHBondContact O-N 3.21Å
137I91.4Very high91.6Very high79 Ų7968.8 Ų68.841%0.40535%0.346SS..G310 helixtrans-51-39.8175.1-69.4177.4000112.8L117 T133 F134 E139 A140L117-I137 HydrophobicContact CD1-CG1 4.42Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.33Å; T133-I137 PolarHBondContact O-N 2.6Å; F134-I137 HydrophobicContact CD1-CD1 3.65Å; F134-I137 HydrophobicContact CE1-CD1 4.34Å; F134-I137 HydrophobicContact CG-CD1 4.47Å; F134-I137 WeakPolarHBondContact O-CG1 3.31Å; F134-I137 PolarHBondContact O-N 2.87Å; I137-E139 PolarHBondContact O-N 3.03Å; I137-A140 WeakPolarHBondContact O-CB 3.35Å; I137-A140 PolarHBondContact O-N 2.95Å
138P91.6Very high91.8Very high119 Ų11964 Ų6477%0.77333%0.325SS*.G310 helixtrans-62.5-21.5177.4-24.536.1000114.6H135 K136 A140H135-P138 WeakPolarHBondContact O-CD 3.42Å; K136-P138 VanDerWaalsContact C-N 3.25Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.46Å
139E90.8Very high92.1Very high122 Ų12265.4 Ų65.457%0.5733%0.332SS*.G310 helixtrans-84.71.5176.6-59.8173.6-157.700112.7K136 I137K136-E139 WeakPolarHBondContact O-CB 3.2Å; K136-E139 PolarHBondContact O-N 3.21Å; I137-E139 PolarHBondContact O-N 3.03Å
140A90.5Very high92.5Very high27 Ų2769.1 Ų69.122%0.22336%0.355CS..  trans-63.7137.1-17600000112.3L117 I119 I137 P138 V142 V145L117-A140 HydrophobicContact CB-CB 4.13Å; L117-A140 HydrophobicContact CD2-CB 4.34Å; L117-A140 CarbonylContact O-C 3.52Å; L117-A140 VanDerWaalsContact O-CA 3.27Å; L117-A140 WeakPolarHBondContact O-CA 3.35Å; L117-A140 WeakPolarHBondContact O-CB 3.35Å; I119-A140 HydrophobicContact CG1-CB 4.49Å; I137-A140 WeakPolarHBondContact O-CB 3.35Å; I137-A140 PolarHBondContact O-N 2.95Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.46Å; A140-V142 PolarHBondContact O-N 2.89Å; A140-V145 HydrophobicContact CB-CG2 4.31Å
141R90.1Very high92.6Very high93 Ų9367.6 Ų67.635%0.35135%0.347SS..  trans-86.1113.7177.3-68.5178.1173.8-152.3-9.5109.5L117 G143 D144 V145 T213L117-R141 PolarHBondContact O-N 3.1Å; R141-G143 PolarHBondContact O-N 2.89Å; R141-G143 VanDerWaalsContact O-N 3.14Å; R141-D144 HydrophobicContact CB-CB 4.24Å; R141-D144 WeakPolarHBondContact CD-OD2 3.38Å; R141-D144 PolarHBondContact O-N 3.36Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.26Å; R141-V145 VanDerWaalsContact O-N 3.07Å; R141-T213 PolarHBondContact NH1-OG1 3.04Å
142V92.1Very high92.6Very high115 Ų11562.3 Ų62.370%0.69733%0.328SS*.Hα-helixtrans-53.5-39-178.4-177.30000112.1A140 V145 V146A140-V142 PolarHBondContact O-N 2.89Å; V142-V145 PolarHBondContact O-N 3.37Å; V142-V146 HydrophobicContact CG1-CG2 4.15Å; V142-V146 VanDerWaalsContact O-CG2 3.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.34Å; V142-V146 PolarHBondContact O-N 3.47Å
143G90.8Very high92.8Very high16 Ų1660.8 Ų60.817%0.16534%0.335CS..Hα-helixtrans-58.7-49.9176.600000113.6R141 V145 V146 L147 F212R141-G143 PolarHBondContact O-N 2.89Å; R141-G143 VanDerWaalsContact O-N 3.14Å; G143-V145 VanDerWaalsContact C-N 3.32Å; G143-V145 PolarHBondContact O-N 3.33Å; G143-V146 PolarHBondContact O-N 3.38Å; G143-L147 VanDerWaalsContact O-CB 3.31Å; G143-L147 WeakPolarHBondContact O-CB 3.47Å; G143-L147 PolarHBondContact O-N 3.35Å; G143-F212 WeakPolarHBondContact O-CE1 3.38Å
144D91.1Very high92.8Very high0 Ų064.3 Ų64.30%035%0.353CS..Hα-helixtrans-63.8-39.5178.3-72.7-43.4000111.3I116 G118 R141 G148 F212 T213 A348I116-D144 CarbonylContact O-C 3.51Å; G118-D144 WeakPolarHBondContact CA-OD2 3.48Å; R141-D144 HydrophobicContact CB-CB 4.24Å; R141-D144 WeakPolarHBondContact CD-OD2 3.38Å; R141-D144 PolarHBondContact O-N 3.36Å; D144-G148 PolarHBondContact O-N 3.45Å; D144-F212 WeakPolarHBondContact OD1-CA 3.39Å; D144-T213 PolarHBondContact OD1-N 3.14Å; D144-T213 VanDerWaalsContact OD2-CB 3.25Å; D144-T213 WeakPolarHBondContact OD2-CB 3.2Å; D144-T213 PolarHBondContact OD2-N 2.79Å; D144-T213 VanDerWaalsContact OD2-N 3.14Å; D144-T213 PolarHBondContact OD2-OG1 2.93Å; D144-A348 HydrophobicContact CB-CB 4.36Å; D144-A348 WeakPolarHBondContact O-CB 3.47Å
145V93.9Very high92.8Very high34 Ų3458.3 Ų58.321%0.20633%0.327CS..Hα-helixtrans-62.6-52.5178.2175.40000111I116 L117 A140 R141 V142 G143 G148 L149I116-V145 VanDerWaalsContact O-CA 3.27Å; I116-V145 WeakPolarHBondContact O-CA 3.26Å; I116-V145 PolarHBondContact O-N 3.09Å; I116-V145 VanDerWaalsContact O-N 3.1Å; L117-V145 HydrophobicContact CD2-CG2 3.93Å; A140-V145 HydrophobicContact CB-CG2 4.31Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.26Å; R141-V145 VanDerWaalsContact O-N 3.07Å; V142-V145 PolarHBondContact O-N 3.37Å; G143-V145 VanDerWaalsContact C-N 3.32Å; G143-V145 PolarHBondContact O-N 3.33Å; V145-G148 PolarHBondContact O-N 3.43Å; V145-L149 HydrophobicContact CG1-CD1 3.82Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CB 3.46Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 2.88Å
146V95.3Very high92.6Very high82 Ų8255.9 Ų55.950%0.49732%0.317SS..Hα-helixtrans-61.8-48.1-179.1172.30000110.1V142 G143 G148 L149 V150V142-V146 HydrophobicContact CG1-CG2 4.15Å; V142-V146 VanDerWaalsContact O-CG2 3.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.34Å; V142-V146 PolarHBondContact O-N 3.47Å; G143-V146 PolarHBondContact O-N 3.38Å; V146-G148 PolarHBondContact O-N 3.32Å; V146-L149 PolarHBondContact O-N 3Å; V146-V150 HydrophobicContact CG1-CG2 4.36Å; V146-V150 WeakPolarHBondContact O-CB 3.17Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.21Å
147L93.7Very high92.4Very high18 Ų1856.4 Ų56.49%0.09433%0.328CS..Hα-helixtrans-61.4-46.1179.2-177.765.9000111.6G143 V150 C151 A197 F212 P346G143-L147 VanDerWaalsContact O-CB 3.31Å; G143-L147 WeakPolarHBondContact O-CB 3.47Å; G143-L147 PolarHBondContact O-N 3.35Å; L147-V150 PolarHBondContact O-N 3.14Å; L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3.44Å; L147-C151 PolarHBondContact O-SG 3.48Å; L147-A197 HydrophobicContact CD1-CB 4.19Å; L147-A197 HydrophobicContact CD2-CB 4.49Å; L147-F212 HydrophobicContact CB-CD1 4.25Å; L147-F212 HydrophobicContact CB-CE1 3.85Å; L147-F212 HydrophobicContact CD2-CD1 3.76Å; L147-F212 HydrophobicContact CD2-CE1 3.86Å; L147-F212 HydrophobicContact CD2-CG 4.31Å; L147-F212 HydrophobicContact CD2-CZ 4.49Å; L147-F212 HydrophobicContact CG-CE1 4.38Å; L147-P346 HydrophobicContact CD2-CB 3.57Å; L147-P346 HydrophobicContact CD2-CG 3.73Å
148G93.4Very high92.2Very high0 Ų053.7 Ų53.70%031%0.314CS..Hα-helixtrans-62.1-44.9179.100000112.8D144 V145 V146 C151 L152D144-G148 PolarHBondContact O-N 3.45Å; V145-G148 PolarHBondContact O-N 3.43Å; V146-G148 PolarHBondContact O-N 3.32Å; G148-C151 PolarHBondContact O-N 3.04Å; G148-L152 VanDerWaalsContact O-CB 3.31Å; G148-L152 WeakPolarHBondContact O-CB 3.35Å; G148-L152 PolarHBondContact O-N 3.44Å
149L95.3Very high91.7Very high95 Ų9552 Ų5250%0.49730%0.297SS..Hα-helixtrans-66.2-40.8177-70.8176.7000112.2V145 V146 L152 A153V145-L149 HydrophobicContact CG1-CD1 3.82Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CB 3.46Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 2.88Å; V146-L149 PolarHBondContact O-N 3Å; L149-L152 PolarHBondContact O-N 3.26Å; L149-A153 VanDerWaalsContact O-CB 3.32Å; L149-A153 WeakPolarHBondContact O-CB 3.49Å; L149-A153 PolarHBondContact O-N 3.42Å
150V95.9Very high91.3Very high87 Ų8752.5 Ų52.553%0.52730%0.298SS..Hα-helixtrans-63.5-46174.8169.60000110.7V146 L147 L152 A153 L154V146-V150 HydrophobicContact CG1-CG2 4.36Å; V146-V150 WeakPolarHBondContact O-CB 3.17Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.21Å; L147-V150 PolarHBondContact O-N 3.14Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.38Å; V150-A153 PolarHBondContact O-N 2.93Å; V150-L154 VanDerWaalsContact O-CB 3.26Å; V150-L154 WeakPolarHBondContact O-CB 3.25Å; V150-L154 PolarHBondContact O-N 3.49Å
151C94.5Very high90.8Very high7 Ų755.7 Ų55.75%0.04731%0.31CS..Hα-helixtrans-59.1-43.3174.7-72.80000111.7L147 G148 L154 L155 V193 A352L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3.44Å; L147-C151 PolarHBondContact O-SG 3.48Å; G148-C151 PolarHBondContact O-N 3.04Å; C151-L154 PolarHBondContact O-N 3.1Å; C151-L155 WeakPolarHBondContact O-CB 3.31Å; C151-L155 VanDerWaalsContact O-CG 3.25Å; C151-L155 WeakPolarHBondContact O-CG 3.46Å; C151-L155 PolarHBondContact O-N 3.32Å; C151-V193 HydrophobicContact CB-CG1 3.66Å; C151-A352 HydrophobicContact CB-CB 3.75Å
152L93.8Very high89.8Confident36 Ų3654.7 Ų54.719%0.18831%0.308CS..Hα-helixtrans-64.4-49.2179.1-171.173.8000111.3G148 L149 V150 L154 L155 I156 A352 I355 C356G148-L152 VanDerWaalsContact O-CB 3.31Å; G148-L152 WeakPolarHBondContact O-CB 3.35Å; G148-L152 PolarHBondContact O-N 3.44Å; L149-L152 PolarHBondContact O-N 3.26Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.38Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.06Å; L152-L155 PolarHBondContact O-N 3.37Å; L152-I156 HydrophobicContact CD1-CD1 4.49Å; L152-I156 HydrophobicContact CG-CD1 3.99Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.47Å; L152-A352 HydrophobicContact CB-CB 4.13Å; L152-A352 HydrophobicContact CD1-CB 4.31Å; L152-I355 HydrophobicContact CD1-CB 4.29Å; L152-I355 HydrophobicContact CD1-CG2 3.96Å; L152-C356 VanDerWaalsContact CD1-SG 3.56Å
153A94.3Very high88.6Confident60 Ų6053.4 Ų53.450%0.49630%0.304SS..Hα-helixtrans-59.3-43.7177.600000111.5L149 V150 I156 A157L149-A153 VanDerWaalsContact O-CB 3.32Å; L149-A153 WeakPolarHBondContact O-CB 3.49Å; L149-A153 PolarHBondContact O-N 3.42Å; V150-A153 PolarHBondContact O-N 2.93Å; A153-I156 PolarHBondContact O-N 2.98Å; A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.06Å
154L92.9Very high87.3Confident76 Ų7659.6 Ų59.640%0.39833%0.329SS..Hα-helixtrans-63.8-43.4177.7-176.663.3000111.9V150 C151 L152 A157 L158 V193V150-L154 VanDerWaalsContact O-CB 3.26Å; V150-L154 WeakPolarHBondContact O-CB 3.25Å; V150-L154 PolarHBondContact O-N 3.49Å; C151-L154 PolarHBondContact O-N 3.1Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.06Å; L154-A157 PolarHBondContact O-N 3.13Å; L154-L158 HydrophobicContact CD1-CD1 4.36Å; L154-L158 HydrophobicContact CD1-CG 4.45Å; L154-L158 HydrophobicContact CG-CD1 4.16Å; L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.31Å; L154-V193 HydrophobicContact CD2-CG2 3.71Å; L154-V193 HydrophobicContact CG-CG2 4.08Å
155L91.1Very high85.7Confident1 Ų164.3 Ų64.31%0.00536%0.36CS..Hα-helixtrans-63.2-42.8176.7-74.4170000111.9C151 L152 L158 M159 R189 V193 A352 V353 C356C151-L155 WeakPolarHBondContact O-CB 3.31Å; C151-L155 VanDerWaalsContact O-CG 3.25Å; C151-L155 WeakPolarHBondContact O-CG 3.46Å; C151-L155 PolarHBondContact O-N 3.32Å; L152-L155 PolarHBondContact O-N 3.37Å; L155-L158 PolarHBondContact O-N 3.35Å; L155-M159 WeakPolarHBondContact O-CB 3.36Å; L155-M159 PolarHBondContact O-N 3.47Å; L155-R189 HydrophobicContact CD2-CB 4.17Å; L155-R189 HydrophobicContact CD2-CG 4.08Å; L155-V193 HydrophobicContact CD2-CB 4.11Å; L155-V193 HydrophobicContact CD2-CG2 3.67Å; L155-V193 HydrophobicContact CG-CB 4.37Å; L155-V193 HydrophobicContact CG-CG1 4.3Å; L155-V193 HydrophobicContact CG-CG2 3.97Å; L155-A352 HydrophobicContact CD1-CB 4.11Å; L155-V353 HydrophobicContact CD1-CB 4.46Å; L155-V353 HydrophobicContact CD1-CG2 3.88Å; L155-C356 HydrophobicContact CB-CB 4.45Å; L155-C356 HydrophobicContact CD1-CB 4.28Å
156I90.3Very high83.9Confident71 Ų7165.2 Ų65.236%0.36438%0.376SS..Hα-helixtrans-64.9-45.6177.3-68.7169.4000110.3L152 A153 L158 M159 F160L152-I156 HydrophobicContact CD1-CD1 4.49Å; L152-I156 HydrophobicContact CG-CD1 3.99Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.35Å; L152-I156 PolarHBondContact O-N 3.47Å; A153-I156 PolarHBondContact O-N 2.98Å; I156-L158 PolarHBondContact O-N 2.96Å; I156-M159 WeakPolarHBondContact O-CB 3.48Å; I156-M159 PolarHBondContact O-N 2.92Å; I156-M159 VanDerWaalsContact O-N 3.09Å; I156-F160 HydrophobicContact CG2-CD2 3.72Å; I156-F160 HydrophobicContact CG2-CE2 3.58Å; I156-F160 WeakPolarHBondContact O-CD2 3.27Å; I156-F160 PolarHBondContact O-N 3.26Å
157A88.6Confident81.9Confident47 Ų4767 Ų6739%0.38839%0.392SS..Hα-helixtrans-58.6-47.5176.900000111.7A153 L154 M159 F160 I161A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.06Å; L154-A157 PolarHBondContact O-N 3.13Å; A157-M159 PolarHBondContact O-N 3.31Å; A157-F160 PolarHBondContact O-N 3.05Å; A157-I161 VanDerWaalsContact O-CG1 3.3Å; A157-I161 WeakPolarHBondContact O-CG1 3.28Å; A157-I161 PolarHBondContact O-N 3.23Å; A157-I161 VanDerWaalsContact O-N 3.07Å
158L85.9Confident80.2Confident22 Ų2271.4 Ų71.412%0.11542%0.415CS..Hα-helixtrans-63-30.7176.1-70.2172.5000112.5L154 L155 I156 K162 V185 R189L154-L158 HydrophobicContact CD1-CD1 4.36Å; L154-L158 HydrophobicContact CD1-CG 4.45Å; L154-L158 HydrophobicContact CG-CD1 4.16Å; L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.31Å; L155-L158 PolarHBondContact O-N 3.35Å; I156-L158 PolarHBondContact O-N 2.96Å; L158-K162 PolarHBondContact O-N 2.84Å; L158-V185 HydrophobicContact CD2-CG1 4.35Å; L158-R189 HydrophobicContact CB-CB 4.21Å; L158-R189 HydrophobicContact CD1-CB 3.77Å
159M82.5Confident77.9Confident83 Ų8380.3 Ų80.341%0.40946%0.457SS..Hα-helixtrans-69.8-43174.7-174.2174173.800112.1L155 I156 A157 K162 S163 P360L155-M159 WeakPolarHBondContact O-CB 3.36Å; L155-M159 PolarHBondContact O-N 3.47Å; I156-M159 WeakPolarHBondContact O-CB 3.48Å; I156-M159 PolarHBondContact O-N 2.92Å; I156-M159 VanDerWaalsContact O-N 3.09Å; A157-M159 PolarHBondContact O-N 3.31Å; M159-K162 PolarHBondContact O-N 3.44Å; M159-S163 PolarHBondContact O-N 3.08Å; M159-P360 HydrophobicContact CE-CG 4.23Å
160F81.6Confident76Confident133 Ų13379.8 Ų79.858%0.58347%0.474SS*.Hα-helixtrans-64-40176.5-86.1-72000112.7I156 A157 K162 S163 H164I156-F160 HydrophobicContact CG2-CD2 3.72Å; I156-F160 HydrophobicContact CG2-CE2 3.58Å; I156-F160 WeakPolarHBondContact O-CD2 3.27Å; I156-F160 PolarHBondContact O-N 3.26Å; A157-F160 PolarHBondContact O-N 3.05Å; F160-K162 VanDerWaalsContact C-N 3.28Å; F160-K162 PolarHBondContact O-N 3.41Å; F160-S163 PolarHBondContact O-N 2.86Å; F160-S163 VanDerWaalsContact O-N 3.11Å; F160-H164 PolarHBondContact O-ND1 3.22Å
161I79.1Confident74.3Confident93 Ų9377.8 Ų77.848%0.47746%0.464SS..Hα-helixtrans-60.6-39176.8-66.9165.3000110.8A157 S163 V182A157-I161 VanDerWaalsContact O-CG1 3.3Å; A157-I161 WeakPolarHBondContact O-CG1 3.28Å; A157-I161 PolarHBondContact O-N 3.23Å; A157-I161 VanDerWaalsContact O-N 3.07Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 2.78Å; I161-V182 HydrophobicContact CG2-CG1 3.37Å
162K70.8Confident73.2Confident72 Ų7281.4 Ų81.431%0.31349%0.489SS..Hα-helixtrans-66.1-31.5176.2-173.7170.1176.4165.60113L158 M159 F160 A186 T187L158-K162 PolarHBondContact O-N 2.84Å; M159-K162 PolarHBondContact O-N 3.44Å; F160-K162 VanDerWaalsContact C-N 3.28Å; F160-K162 PolarHBondContact O-N 3.41Å; K162-A186 HydrophobicContact CB-CB 3.95Å; K162-A186 HydrophobicContact CD-CB 4.32Å; K162-A186 HydrophobicContact CG-CB 4.43Å; K162-T187 PolarHBondContact NZ-OG1 2.72Å
163S65.9Low72.4Confident89 Ų8985.4 Ų85.462%0.62252%0.515SS*.Hα-helixtrans-79.8-13.7-172-1610000114.5M159 F160 I161 P165M159-S163 PolarHBondContact O-N 3.08Å; F160-S163 PolarHBondContact O-N 2.86Å; F160-S163 VanDerWaalsContact O-N 3.11Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 2.78Å; S163-P165 WeakPolarHBondContact O-CD 3.16Å
164H63.2Low71.4Confident145 Ų14591.2 Ų91.267%0.67153%0.525SS*.  trans-114.272.6177.3-67.483.2000111.2F160 G166F160-H164 PolarHBondContact O-ND1 3.22Å; H164-G166 PolarHBondContact O-N 3.47Å
165P57Low70.6Confident100 Ų10089.6 Ų89.665%0.64952%0.52SS*.  trans-66104.116727.3-29.1000107.7S163 S167S163-P165 WeakPolarHBondContact O-CD 3.16Å; P165-S167 PolarHBondContact O-N 3.48Å
166G56.4Low69.9Low53 Ų5396.7 Ų96.755%0.54655%0.547SS..  trans-49.413917700000111.8H164H164-G166 PolarHBondContact O-N 3.47Å
167S54.8Low69.4Low119 Ų11999.3 Ų99.383%0.83256%0.556SS**  trans-54.2135.2-177.148.30000112.6P165 H169P165-S167 PolarHBondContact O-N 3.48Å; S167-H169 VanDerWaalsContact C-N 3.28Å; S167-H169 PolarHBondContact O-N 3.28Å; S167-H169 VanDerWaalsContact O-N 3.07Å
168D56.3Low68.9Low111 Ų11198.9 Ų98.959%0.59455%0.552SS**  trans-83.324.8-159-141.819000115.6G170 R179D168-G170 PolarHBondContact O-N 3.3Å; D168-R179 IonicContact OD1-CZ 2.79Å; D168-R179 VanDerWaalsContact OD1-CZ 3.22Å; D168-R179 IonicContact OD1-NH1 3.85Å; D168-R179 PolarHBondContact OD1-NH1 2.62Å; D168-R179 IonicContact OD1-NH2 3.94Å; D168-R179 PolarHBondContact OD1-NH2 3.33Å
169H45.2Very low68.4Low187 Ų187102.2 Ų102.287%0.86656%0.563SS**SBendtrans-94.8101.3-175.7-76.4-15.5000112.5S167S167-H169 VanDerWaalsContact C-N 3.28Å; S167-H169 PolarHBondContact O-N 3.28Å; S167-H169 VanDerWaalsContact O-N 3.07Å
170G56.1Low68.3Low83 Ų83105.9 Ų105.986%0.85658%0.577SS**SBendtrans98.513.4155.600000118.3D168D168-G170 PolarHBondContact O-N 3.3Å
171S59.8Low68.3Low46 Ų46103.7 Ų103.732%0.32257%0.571SS.*  trans-90.9137.6-165.9820000115.4S175S171-S175 WeakPolarHBondContact CB-OG 3.23Å; S171-S175 PolarHBondContact OG-OG 3.43Å
172S72.5Confident68.4Low82 Ų82102.6 Ų102.657%0.57357%0.568SS**  trans-47.3151.4178154.90000113.9Y174 S175 R176S172-Y174 PolarHBondContact O-N 3Å; S172-Y174 VanDerWaalsContact O-N 3.08Å; S172-Y174 PolarHBondContact OG-N 3.17Å; S172-S175 PolarHBondContact N-OG 3.26Å; S172-S175 WeakPolarHBondContact O-CB 3.48Å; S172-S175 PolarHBondContact O-N 3.47Å; S172-S175 PolarHBondContact O-OG 3.04Å; S172-R176 PolarHBondContact O-N 3.5Å
173V75.3Confident68.8Low121 Ų121106.8 Ų106.873%0.73358%0.582SS**Hα-helixtrans-49.5-37.3176.9-178.60000112.1S175 R176 F177V173-S175 PolarHBondContact O-N 3.35Å; V173-R176 PolarHBondContact O-N 3.18Å; V173-F177 PolarHBondContact O-N 3.2Å; V173-F177 VanDerWaalsContact O-N 3.12Å
174Y73.9Confident69.6Low182 Ų182104.2 Ų104.271%0.71457%0.567SS**Hα-helixtrans-63-41177.6-172.1-97.7000112.8S172 R176 F177 A178S172-Y174 PolarHBondContact O-N 3Å; S172-Y174 VanDerWaalsContact O-N 3.08Å; S172-Y174 PolarHBondContact OG-N 3.17Å; Y174-R176 VanDerWaalsContact C-N 3.32Å; Y174-R176 PolarHBondContact O-N 2.9Å; Y174-F177 PolarHBondContact O-N 3.13Å; Y174-A178 WeakPolarHBondContact O-CB 3.35Å; Y174-A178 PolarHBondContact O-N 3.49Å
175S75.6Confident70.5Confident41 Ų41100 Ų10029%0.28755%0.551SS.*Hα-helixtrans-67.5-31.7177.4720000112.8S171 S172 V173 R179S171-S175 WeakPolarHBondContact CB-OG 3.23Å; S171-S175 PolarHBondContact OG-OG 3.43Å; S172-S175 PolarHBondContact N-OG 3.26Å; S172-S175 WeakPolarHBondContact O-CB 3.48Å; S172-S175 PolarHBondContact O-N 3.47Å; S172-S175 PolarHBondContact O-OG 3.04Å; V173-S175 PolarHBondContact O-N 3.35Å; S175-R179 VanDerWaalsContact O-CB 3.29Å; S175-R179 WeakPolarHBondContact O-CB 3.32Å; S175-R179 PolarHBondContact O-N 3.31Å
176R76.8Confident71.5Confident150 Ų15095.3 Ų95.357%0.56652%0.52SS*.Hα-helixtrans-69.4-41174.7-59.2-173.1-158.6178.94.6111S172 V173 Y174 K180S172-R176 PolarHBondContact O-N 3.5Å; V173-R176 PolarHBondContact O-N 3.18Å; Y174-R176 VanDerWaalsContact C-N 3.32Å; Y174-R176 PolarHBondContact O-N 2.9Å; R176-K180 PolarHBondContact O-N 2.91Å
177F80.6Confident72.6Confident126 Ų12694.3 Ų94.355%0.55350%0.504SS*.Hα-helixtrans-65.2-48.4175.5-177.3-103.9000111.7V173 Y174 R179 K180 L181V173-F177 PolarHBondContact O-N 3.2Å; V173-F177 VanDerWaalsContact O-N 3.12Å; Y174-F177 PolarHBondContact O-N 3.13Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 3.43Å; F177-K180 PolarHBondContact O-N 3.19Å; F177-K180 VanDerWaalsContact O-N 3.17Å; F177-L181 HydrophobicContact CD1-CD1 3.87Å; F177-L181 HydrophobicContact CD1-CG 4.5Å; F177-L181 HydrophobicContact CE1-CD1 3.31Å; F177-L181 HydrophobicContact CE1-CG 4.06Å; F177-L181 HydrophobicContact CZ-CD1 3.79Å; F177-L181 HydrophobicContact CZ-CG 4.14Å; F177-L181 PolarHBondContact O-N 3.39Å
178A77.6Confident74Confident38 Ų3894.1 Ų94.131%0.31449%0.491SS..Hα-helixtrans-57.2-42.3175.900000112Y174 L181 V182Y174-A178 WeakPolarHBondContact O-CB 3.35Å; Y174-A178 PolarHBondContact O-N 3.49Å; A178-L181 WeakPolarHBondContact O-CB 3.31Å; A178-L181 PolarHBondContact O-N 3.39Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 2.97Å
179R76.1Confident75.5Confident93 Ų9389.6 Ų89.635%0.35147%0.466SS..Hα-helixtrans-66.8-39176.8-176.3169.347.9151.9-2.3112.9D168 S175 F177 L181 V182 W183D168-R179 IonicContact OD1-CZ 2.79Å; D168-R179 VanDerWaalsContact OD1-CZ 3.22Å; D168-R179 IonicContact OD1-NH1 3.85Å; D168-R179 PolarHBondContact OD1-NH1 2.62Å; D168-R179 IonicContact OD1-NH2 3.94Å; D168-R179 PolarHBondContact OD1-NH2 3.33Å; S175-R179 VanDerWaalsContact O-CB 3.29Å; S175-R179 WeakPolarHBondContact O-CB 3.32Å; S175-R179 PolarHBondContact O-N 3.31Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 3.43Å; R179-L181 VanDerWaalsContact C-N 3.34Å; R179-V182 PolarHBondContact O-N 3.5Å; R179-W183 WeakPolarHBondContact O-CB 3.41Å; R179-W183 PolarHBondContact O-N 2.6Å
180K80.8Confident77.6Confident159 Ų15981.5 Ų81.569%0.69143%0.429SS*.Hα-helixtrans-62.4-41.6172.1-81-172.7177.7-175.40111.6R176 F177 W183 A184R176-K180 PolarHBondContact O-N 2.91Å; F177-K180 PolarHBondContact O-N 3.19Å; F177-K180 VanDerWaalsContact O-N 3.17Å; K180-W183 PolarHBondContact O-N 2.88Å; K180-A184 WeakPolarHBondContact O-CB 3.14Å; K180-A184 PolarHBondContact O-N 3Å
181L81.1Confident79.1Confident87 Ų8780.3 Ų80.346%0.45541%0.411SS..Hα-helixtrans-62.5-48174.4-83.3176000111.8F177 A178 R179 W183 A184 V185F177-L181 HydrophobicContact CD1-CD1 3.87Å; F177-L181 HydrophobicContact CD1-CG 4.5Å; F177-L181 HydrophobicContact CE1-CD1 3.31Å; F177-L181 HydrophobicContact CE1-CG 4.06Å; F177-L181 HydrophobicContact CZ-CD1 3.79Å; F177-L181 HydrophobicContact CZ-CG 4.14Å; F177-L181 PolarHBondContact O-N 3.39Å; A178-L181 WeakPolarHBondContact O-CB 3.31Å; A178-L181 PolarHBondContact O-N 3.39Å; R179-L181 VanDerWaalsContact C-N 3.34Å; L181-W183 VanDerWaalsContact C-N 3.31Å; L181-W183 PolarHBondContact O-N 2.85Å; L181-A184 PolarHBondContact O-N 2.84Å; L181-A184 VanDerWaalsContact O-N 3.17Å; L181-V185 WeakPolarHBondContact O-CB 3.43Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.11Å; L181-V185 PolarHBondContact O-N 2.94Å
182V80.1Confident80.5Confident70 Ų7082.4 Ų82.442%0.42442%0.418SS..Hα-helixtrans-59.2-43.1177.2170.10000111.1I161 A178 R179 V185 A186I161-V182 HydrophobicContact CG2-CG1 3.37Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 2.97Å; R179-V182 PolarHBondContact O-N 3.5Å; V182-V185 PolarHBondContact O-N 3.03Å; V182-A186 VanDerWaalsContact O-CB 3.23Å; V182-A186 WeakPolarHBondContact O-CB 3.28Å; V182-A186 PolarHBondContact O-N 3.42Å
183W80.5Confident81.5Confident161 Ų16178.6 Ų78.661%0.6139%0.391SS*.Hα-helixtrans-64.1-40.5176.2-178.589.7000112.6R179 K180 L181 T187R179-W183 WeakPolarHBondContact O-CB 3.41Å; R179-W183 PolarHBondContact O-N 2.6Å; K180-W183 PolarHBondContact O-N 2.88Å; L181-W183 VanDerWaalsContact C-N 3.31Å; L181-W183 PolarHBondContact O-N 2.85Å; W183-T187 WeakPolarHBondContact O-CB 3.24Å; W183-T187 PolarHBondContact O-N 2.83Å; W183-T187 PolarHBondContact O-OG1 2.96Å
184A81.7Confident82.2Confident35 Ų3573.1 Ų73.129%0.28936%0.358SS..Hα-helixtrans-64.5-47.7175.800000111.5K180 L181 A186 T187 M188K180-A184 WeakPolarHBondContact O-CB 3.14Å; K180-A184 PolarHBondContact O-N 3Å; L181-A184 PolarHBondContact O-N 2.84Å; L181-A184 VanDerWaalsContact O-N 3.17Å; A184-A186 PolarHBondContact O-N 3.07Å; A184-T187 PolarHBondContact O-N 3.24Å; A184-M188 PolarHBondContact O-N 2.87Å
185V82.3Confident83Confident57 Ų5768 Ų6835%0.34535%0.345SS..Hα-helixtrans-60.8-45.3176.8171.70000111L158 L181 V182 T187 M188 R189 L192L158-V185 HydrophobicContact CD2-CG1 4.35Å; L181-V185 WeakPolarHBondContact O-CB 3.43Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.11Å; L181-V185 PolarHBondContact O-N 2.94Å; V182-V185 PolarHBondContact O-N 3.03Å; V185-T187 PolarHBondContact O-N 3.47Å; V185-M188 CarbonylContact O-C 3.53Å; V185-M188 PolarHBondContact O-N 2.84Å; V185-R189 PolarHBondContact O-N 3.36Å; V185-L192 HydrophobicContact CG1-CD2 4.35Å
186A78.9Confident83.9Confident1 Ų168.2 Ų68.21%0.00835%0.35CS..Hα-helixtrans-68.1-22.6179.500000113.4K162 V182 A184 R189K162-A186 HydrophobicContact CB-CB 3.95Å; K162-A186 HydrophobicContact CD-CB 4.32Å; K162-A186 HydrophobicContact CG-CB 4.43Å; V182-A186 VanDerWaalsContact O-CB 3.23Å; V182-A186 WeakPolarHBondContact O-CB 3.28Å; V182-A186 PolarHBondContact O-N 3.42Å; A184-A186 PolarHBondContact O-N 3.07Å; A186-R189 WeakPolarHBondContact O-CD 3.33Å; A186-R189 WeakPolarHBondContact O-CG 3.11Å; A186-R189 PolarHBondContact O-NH1 3.45Å; A186-R189 VanDerWaalsContact O-NH1 3.08Å
187T79.3Confident84.6Confident31 Ų3161.2 Ų61.219%0.1932%0.324CS..Hα-helixtrans-81.1-37.7173.5-58.70000111.2K162 W183 A184 V185 R189K162-T187 PolarHBondContact NZ-OG1 2.72Å; W183-T187 WeakPolarHBondContact O-CB 3.24Å; W183-T187 PolarHBondContact O-N 2.83Å; W183-T187 PolarHBondContact O-OG1 2.96Å; A184-T187 PolarHBondContact O-N 3.24Å; V185-T187 PolarHBondContact O-N 3.47Å; T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 2.68Å
188M84.1Confident85.1Confident116 Ų11656.3 Ų56.357%0.57131%0.305SS*.SBendtrans-82.85.6174.9-63.2-172-60.300114.3A184 V185 N190 A191 L192A184-M188 PolarHBondContact O-N 2.87Å; V185-M188 CarbonylContact O-C 3.53Å; V185-M188 PolarHBondContact O-N 2.84Å; M188-N190 VanDerWaalsContact C-N 3.25Å; M188-N190 PolarHBondContact O-N 3.07Å; M188-A191 PolarHBondContact O-N 2.91Å; M188-L192 PolarHBondContact O-N 3.02Å
189R88Confident85.8Confident16 Ų1659.9 Ų59.96%0.0632%0.318CS..Hα-helixtrans-47.3-43.4-17366.5179.1-179.5-104.82.9113.9L155 L158 V185 A186 T187 A191 L192 V193L155-R189 HydrophobicContact CD2-CB 4.17Å; L155-R189 HydrophobicContact CD2-CG 4.08Å; L158-R189 HydrophobicContact CB-CB 4.21Å; L158-R189 HydrophobicContact CD1-CB 3.77Å; V185-R189 PolarHBondContact O-N 3.36Å; A186-R189 WeakPolarHBondContact O-CD 3.33Å; A186-R189 WeakPolarHBondContact O-CG 3.11Å; A186-R189 PolarHBondContact O-NH1 3.45Å; A186-R189 VanDerWaalsContact O-NH1 3.08Å; T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 2.68Å; R189-A191 PolarHBondContact O-N 3.11Å; R189-L192 PolarHBondContact O-N 3.19Å; R189-V193 WeakPolarHBondContact O-CB 3.47Å; R189-V193 VanDerWaalsContact O-CG2 3.3Å; R189-V193 WeakPolarHBondContact O-CG2 3.41Å; R189-V193 PolarHBondContact O-N 3.04Å
190N88.4Confident86.5Confident16 Ų1658.5 Ų58.59%0.08632%0.319CS..Hα-helixtrans-65.6-41.6-177-66.4-25.6000111.6M188 V194 V353M188-N190 VanDerWaalsContact C-N 3.25Å; M188-N190 PolarHBondContact O-N 3.07Å; N190-V194 VanDerWaalsContact O-CG2 3.29Å; N190-V194 WeakPolarHBondContact O-CG2 3.27Å; N190-V194 PolarHBondContact O-N 2.96Å; N190-V353 HydrophobicContact CB-CG1 4.08Å; N190-V353 HydrophobicContact CB-CG2 4.48Å
191A87.8Confident86.9Confident58 Ų5851.1 Ų51.148%0.47929%0.288SS..Hα-helixtrans-70.2-44.8177.100000111.1M188 R189 V193 V194 V195M188-A191 PolarHBondContact O-N 2.91Å; R189-A191 PolarHBondContact O-N 3.11Å; A191-V193 PolarHBondContact O-N 3.47Å; A191-V194 PolarHBondContact O-N 3.34Å; A191-V195 WeakPolarHBondContact O-CB 3.43Å; A191-V195 VanDerWaalsContact O-CG2 3.3Å; A191-V195 WeakPolarHBondContact O-CG2 3.12Å; A191-V195 PolarHBondContact O-N 2.85Å
192L90.1Very high87.4Confident90 Ų9051.8 Ų51.847%0.47129%0.288SS..Hα-helixtrans-56.8-49.7179.6-172.286.3000111.6V185 M188 R189 V194 V195 A196V185-L192 HydrophobicContact CG1-CD2 4.35Å; M188-L192 PolarHBondContact O-N 3.02Å; R189-L192 PolarHBondContact O-N 3.19Å; L192-V194 PolarHBondContact O-N 3.19Å; L192-V195 PolarHBondContact O-N 3.13Å; L192-A196 VanDerWaalsContact O-CB 3.31Å; L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.19Å
193V92Very high87.8Confident3 Ų350.8 Ų50.82%0.01828%0.283CS..Hα-helixtrans-64.8-40.4-177.7173.60000111.6C151 L154 L155 R189 A191 A197C151-V193 HydrophobicContact CB-CG1 3.66Å; L154-V193 HydrophobicContact CD2-CG2 3.71Å; L154-V193 HydrophobicContact CG-CG2 4.08Å; L155-V193 HydrophobicContact CD2-CB 4.11Å; L155-V193 HydrophobicContact CD2-CG2 3.67Å; L155-V193 HydrophobicContact CG-CB 4.37Å; L155-V193 HydrophobicContact CG-CG1 4.3Å; L155-V193 HydrophobicContact CG-CG2 3.97Å; R189-V193 WeakPolarHBondContact O-CB 3.47Å; R189-V193 VanDerWaalsContact O-CG2 3.3Å; R189-V193 WeakPolarHBondContact O-CG2 3.41Å; R189-V193 PolarHBondContact O-N 3.04Å; A191-V193 PolarHBondContact O-N 3.47Å; V193-A197 VanDerWaalsContact O-CB 3.29Å; V193-A197 WeakPolarHBondContact O-CB 3.42Å; V193-A197 PolarHBondContact O-N 3.36Å
194V90.6Very high88.2Confident5 Ų548.6 Ų48.63%0.0328%0.275CS..Hα-helixtrans-69.7-41.8178.9178.70000111.4M1 N190 A191 L192 A197 T198 I345 L350 V353M1-V194 HydrophobicContact CE-CG1 4.02Å; M1-V194 HydrophobicContact SD-CB 4.13Å; M1-V194 HydrophobicContact SD-CG1 3.41Å; M1-V194 WeakPolarHBondContact SD-CG1 3.25Å; N190-V194 VanDerWaalsContact O-CG2 3.29Å; N190-V194 WeakPolarHBondContact O-CG2 3.27Å; N190-V194 PolarHBondContact O-N 2.96Å; A191-V194 PolarHBondContact O-N 3.34Å; L192-V194 PolarHBondContact O-N 3.19Å; V194-A197 PolarHBondContact O-N 2.71Å; V194-T198 WeakPolarHBondContact O-CB 3.14Å; V194-T198 PolarHBondContact O-N 3.04Å; V194-T198 PolarHBondContact O-OG1 3.18Å; V194-I345 HydrophobicContact CG1-CG2 4.12Å; V194-L350 HydrophobicContact CG1-CD2 4.29Å; V194-L350 HydrophobicContact CG2-CD2 4.23Å; V194-V353 HydrophobicContact CG2-CG2 3.82Å
195V91.8Very high88.4Confident75 Ų7548.6 Ų48.646%0.45527%0.27SS..Hα-helixtrans-63.2-46.7176.41720000110.7A191 L192 A197 T198 L199A191-V195 WeakPolarHBondContact O-CB 3.43Å; A191-V195 VanDerWaalsContact O-CG2 3.3Å; A191-V195 WeakPolarHBondContact O-CG2 3.12Å; A191-V195 PolarHBondContact O-N 2.85Å; L192-V195 PolarHBondContact O-N 3.13Å; V195-A197 PolarHBondContact O-N 3.04Å; V195-T198 WeakPolarHBondContact O-CB 3.37Å; V195-T198 PolarHBondContact O-N 3.36Å; V195-L199 HydrophobicContact CG1-CD1 4.27Å; V195-L199 WeakPolarHBondContact O-CG 3.43Å; V195-L199 PolarHBondContact O-N 3.19Å
196A92.8Very high88.5Confident46 Ų4649.5 Ų49.538%0.3828%0.284SS..Hα-helixtrans-59.9-46.1177.200000112L192 T198 L199 V200L192-A196 VanDerWaalsContact O-CB 3.31Å; L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.19Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.21Å; A196-L199 PolarHBondContact O-N 2.9Å; A196-V200 WeakPolarHBondContact O-CG2 3.37Å; A196-V200 PolarHBondContact O-N 3.34Å
197A92.2Very high88.8Confident3 Ų357.3 Ų57.33%0.02532%0.318CS..Hα-helixtrans-62.7-35.8176.400000112.6L147 V193 V194 V195 V200 A201 P346L147-A197 HydrophobicContact CD1-CB 4.19Å; L147-A197 HydrophobicContact CD2-CB 4.49Å; V193-A197 VanDerWaalsContact O-CB 3.29Å; V193-A197 WeakPolarHBondContact O-CB 3.42Å; V193-A197 PolarHBondContact O-N 3.36Å; V194-A197 PolarHBondContact O-N 2.71Å; V195-A197 PolarHBondContact O-N 3.04Å; A197-V200 PolarHBondContact O-N 3.45Å; A197-A201 WeakPolarHBondContact O-CB 3.12Å; A197-A201 PolarHBondContact O-N 2.95Å; A197-P346 HydrophobicContact CB-CG 4.42Å
198T90.4Very high88.9Confident23 Ų2358.5 Ų58.514%0.14134%0.336CS..Hα-helixtrans-67.6-40.8176.7-53.50000111.3V194 V195 A196 A201 F202 I345V194-T198 WeakPolarHBondContact O-CB 3.14Å; V194-T198 PolarHBondContact O-N 3.04Å; V194-T198 PolarHBondContact O-OG1 3.18Å; V195-T198 WeakPolarHBondContact O-CB 3.37Å; V195-T198 PolarHBondContact O-N 3.36Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.21Å; T198-A201 PolarHBondContact O-N 3.33Å; T198-F202 VanDerWaalsContact O-CB 3.3Å; T198-F202 WeakPolarHBondContact O-CB 3.4Å; T198-F202 PolarHBondContact O-N 3.14Å; T198-I345 HydrophobicContact CG2-CG1 4.15Å
199L92.1Very high88.7Confident112 Ų11258.3 Ų58.359%0.58633%0.333SS*.Hα-helixtrans-64-41.8175-70.6170.8000112V195 A196 F202 S203V195-L199 HydrophobicContact CG1-CD1 4.27Å; V195-L199 WeakPolarHBondContact O-CG 3.43Å; V195-L199 PolarHBondContact O-N 3.19Å; A196-L199 PolarHBondContact O-N 2.9Å; L199-F202 PolarHBondContact O-N 3.38Å; L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 3.09Å
200V92.1Very high88.3Confident64 Ų6464.5 Ų64.539%0.38836%0.363SS..Hα-helixtrans-61.3-48.61751720000110.4A196 A197 F202 S203 W204 F212A196-V200 WeakPolarHBondContact O-CG2 3.37Å; A196-V200 PolarHBondContact O-N 3.34Å; A197-V200 PolarHBondContact O-N 3.45Å; V200-F202 PolarHBondContact O-N 3.4Å; V200-S203 PolarHBondContact O-N 3.03Å; V200-S203 PolarHBondContact O-OG 3.4Å; V200-W204 PolarHBondContact O-N 3.13Å; V200-W204 VanDerWaalsContact O-N 3.1Å; V200-F212 HydrophobicContact CG1-CE2 4.4Å; V200-F212 HydrophobicContact CG1-CZ 4.38Å
201A89.6Confident87.9Confident4 Ų466.2 Ų66.23%0.03337%0.374CS..Hα-helixtrans-63.1-41.8178.600000112.6A197 T198 W204 D205 F212 P346A197-A201 WeakPolarHBondContact O-CB 3.12Å; A197-A201 PolarHBondContact O-N 2.95Å; T198-A201 PolarHBondContact O-N 3.33Å; A201-W204 PolarHBondContact O-N 3.14Å; A201-D205 WeakPolarHBondContact O-CB 3.34Å; A201-D205 PolarHBondContact O-N 3.47Å; A201-F212 HydrophobicContact CB-CD2 3.95Å; A201-P346 HydrophobicContact CB-CG 3.53Å
202F89.8Confident87.8Confident102 Ų10264.9 Ų64.945%0.44736%0.357SS..Hα-helixtrans-60.3-44.6174.5176.3-102.2000112T198 L199 V200 W204 D205 A206 Y344T198-F202 VanDerWaalsContact O-CB 3.3Å; T198-F202 WeakPolarHBondContact O-CB 3.4Å; T198-F202 PolarHBondContact O-N 3.14Å; L199-F202 PolarHBondContact O-N 3.38Å; V200-F202 PolarHBondContact O-N 3.4Å; F202-W204 VanDerWaalsContact C-N 3.32Å; F202-W204 PolarHBondContact O-N 2.9Å; F202-D205 PolarHBondContact O-N 3.28Å; F202-A206 WeakPolarHBondContact O-CB 3.08Å; F202-A206 PolarHBondContact O-N 3.03Å; F202-Y344 HydrophobicContact CB-CD1 4.38Å; F202-Y344 HydrophobicContact CB-CG 4.29Å; F202-Y344 HydrophobicContact CD2-CD1 4.02Å; F202-Y344 AromaticContact CD2-CD2 3.88Å; F202-Y344 HydrophobicContact CD2-CD2 3.88Å; F202-Y344 AromaticContact CD2-CE1 3.87Å; F202-Y344 HydrophobicContact CD2-CE1 3.87Å; F202-Y344 AromaticContact CD2-CE2 3.73Å; F202-Y344 HydrophobicContact CD2-CE2 3.73Å; F202-Y344 HydrophobicContact CD2-CG 4.02Å; F202-Y344 AromaticContact CD2-CZ 3.73Å; F202-Y344 HydrophobicContact CE2-CE1 4.49Å; F202-Y344 HydrophobicContact CE2-CE2 4.07Å
203S89.6Confident87.5Confident48 Ų4860.9 Ų60.934%0.33634%0.337SS..Hα-helixtrans-61.2-42.5178.769.10000111.8L199 V200 A206 F207L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 3.09Å; V200-S203 PolarHBondContact O-N 3.03Å; V200-S203 PolarHBondContact O-OG 3.4Å; S203-A206 WeakPolarHBondContact O-CB 3.44Å; S203-A206 PolarHBondContact O-N 3.32Å; S203-F207 WeakPolarHBondContact O-CD2 3.11Å; S203-F207 PolarHBondContact O-N 3.42Å
204W88.1Confident87.1Confident116 Ų11662.6 Ų62.644%0.43935%0.345SS..Hα-helixtrans-71.6-35.9-178-146.3-82.4000112.4V200 A201 F202 F207 G208 H209 F212V200-W204 PolarHBondContact O-N 3.13Å; V200-W204 VanDerWaalsContact O-N 3.1Å; A201-W204 PolarHBondContact O-N 3.14Å; F202-W204 VanDerWaalsContact C-N 3.32Å; F202-W204 PolarHBondContact O-N 2.9Å; W204-F207 PolarHBondContact O-N 2.89Å; W204-G208 PolarHBondContact O-N 3.48Å; W204-H209 VanDerWaalsContact CD1-O 3.26Å; W204-H209 HydrophobicContact CG-CB 4.41Å; W204-H209 AromaticContact NE1-CG 3.85Å; W204-H209 PolarHBondContact O-N 2.9Å; W204-F212 HydrophobicContact CB-CE2 4.06Å; W204-F212 HydrophobicContact CG-CE2 4.25Å
205D85.4Confident86.4Confident35 Ų3563 Ų6319%0.18735%0.348CS..Hα-helixtrans-66-38.8173.2-155.367.4000111.5A201 F202 F207 G208 H210 Y344A201-D205 WeakPolarHBondContact O-CB 3.34Å; A201-D205 PolarHBondContact O-N 3.47Å; F202-D205 PolarHBondContact O-N 3.28Å; D205-F207 PolarHBondContact O-N 3.48Å; D205-G208 WeakPolarHBondContact O-CA 3.27Å; D205-G208 PolarHBondContact O-N 2.88Å; D205-H210 IonicContact OD1-CE1 2.9Å; D205-H210 PolarHBondContact OD1-CE1 3.44Å; D205-H210 IonicContact OD1-CG 3.28Å; D205-H210 IonicContact OD1-ND1 3.48Å; D205-H210 PolarHBondContact OD1-ND1 3.42Å; D205-Y344 HydrophobicContact CB-CD1 4.38Å; D205-Y344 HydrophobicContact CB-CE1 4.15Å; D205-Y344 WeakPolarHBondContact OD2-CE1 3.47Å
206A84.8Confident85.6Confident76 Ų7660.3 Ų60.363%0.62834%0.335SS*.Hα-helixtrans-63.7-27.5174.400000113.1F202 S203 G208F202-A206 WeakPolarHBondContact O-CB 3.08Å; F202-A206 PolarHBondContact O-N 3.03Å; S203-A206 WeakPolarHBondContact O-CB 3.44Å; S203-A206 PolarHBondContact O-N 3.32Å; A206-G208 VanDerWaalsContact C-N 3.27Å
207F85.8Confident84.4Confident165 Ų16565.6 Ų65.672%0.72435%0.351SS*.THydrogen-bonded Turntrans-83.64.4171.3-71.1-68000113.6S203 W204 D205S203-F207 WeakPolarHBondContact O-CD2 3.11Å; S203-F207 PolarHBondContact O-N 3.42Å; W204-F207 PolarHBondContact O-N 2.89Å; D205-F207 PolarHBondContact O-N 3.48Å
208G80.4Confident83.2Confident55 Ų5566.3 Ų66.357%0.56736%0.356SS*.THydrogen-bonded Turntrans8114.1174.800000115W204 D205 A206W204-G208 PolarHBondContact O-N 3.48Å; D205-G208 WeakPolarHBondContact O-CA 3.27Å; D205-G208 PolarHBondContact O-N 2.88Å; A206-G208 VanDerWaalsContact C-N 3.27Å
209H81.2Confident82Confident112 Ų11268.4 Ų68.452%0.51937%0.369SS..  trans-107.9112.3-179.8-70.4-66.4000110.6W204 V211W204-H209 VanDerWaalsContact CD1-O 3.26Å; W204-H209 HydrophobicContact CG-CB 4.41Å; W204-H209 AromaticContact NE1-CG 3.85Å; W204-H209 PolarHBondContact O-N 2.9Å; H209-V211 HydrophobicContact CB-CG2 4.12Å; H209-V211 PolarHBondContact O-N 2.95Å; H209-V211 VanDerWaalsContact O-N 3.07Å
210H78.9Confident80.9Confident146 Ų14668.7 Ų68.768%0.67637%0.367SS*.  trans-88.270.3178.1-60.1-61.1000112D205D205-H210 IonicContact OD1-CE1 2.9Å; D205-H210 PolarHBondContact OD1-CE1 3.44Å; D205-H210 IonicContact OD1-CG 3.28Å; D205-H210 IonicContact OD1-ND1 3.48Å; D205-H210 PolarHBondContact OD1-ND1 3.42Å
211V81Confident80.1Confident53 Ų5366.9 Ų66.932%0.32136%0.361SS..  trans-84-24.9-173.31740000113.5H209H209-V211 HydrophobicContact CB-CG2 4.12Å; H209-V211 PolarHBondContact O-N 2.95Å; H209-V211 VanDerWaalsContact O-N 3.07Å
212F85.6Confident79.8Confident29 Ų2971.5 Ų71.513%0.12739%0.385CS..SBendtrans-109.9150.4-173-54.3-68.1000113.2G143 D144 L147 V200 A201 W204 I214G143-F212 WeakPolarHBondContact O-CE1 3.38Å; D144-F212 WeakPolarHBondContact OD1-CA 3.39Å; L147-F212 HydrophobicContact CB-CD1 4.25Å; L147-F212 HydrophobicContact CB-CE1 3.85Å; L147-F212 HydrophobicContact CD2-CD1 3.76Å; L147-F212 HydrophobicContact CD2-CE1 3.86Å; L147-F212 HydrophobicContact CD2-CG 4.31Å; L147-F212 HydrophobicContact CD2-CZ 4.49Å; L147-F212 HydrophobicContact CG-CE1 4.38Å; V200-F212 HydrophobicContact CG1-CE2 4.4Å; V200-F212 HydrophobicContact CG1-CZ 4.38Å; A201-F212 HydrophobicContact CB-CD2 3.95Å; W204-F212 HydrophobicContact CB-CE2 4.06Å; W204-F212 HydrophobicContact CG-CE2 4.25Å; F212-I214 PolarHBondContact O-N 3.02Å
213T82.9Confident79.5Confident7 Ų767.6 Ų67.64%0.04337%0.369CS..  trans-83.597.9169.7-580000109.6R141 D144 K347R141-T213 PolarHBondContact NH1-OG1 3.04Å; D144-T213 PolarHBondContact OD1-N 3.14Å; D144-T213 VanDerWaalsContact OD2-CB 3.25Å; D144-T213 WeakPolarHBondContact OD2-CB 3.2Å; D144-T213 PolarHBondContact OD2-N 2.79Å; D144-T213 VanDerWaalsContact OD2-N 3.14Å; D144-T213 PolarHBondContact OD2-OG1 2.93Å; T213-K347 HydrophobicContact CG2-CD 3.88Å; T213-K347 HydrophobicContact CG2-CG 4.42Å; T213-K347 PolarHBondContact O-N 3.32Å
214I84.1Confident79.3Confident39 Ų3968.7 Ų68.720%0.238%0.376CS..BIsolated β-bridgetrans-84165.7-179.961173.3000113F212 Y343 K347F212-I214 PolarHBondContact O-N 3.02Å; I214-Y343 HydrophobicContact CD1-CD1 4.04Å; I214-Y343 HydrophobicContact CD1-CE1 3.44Å; I214-Y343 VanDerWaalsContact CD1-CE1 3.44Å; I214-Y343 HydrophobicContact CD1-CE2 4.47Å; I214-K347 WeakPolarHBondContact O-CE 3.48Å
215T75.8Confident79.4Confident14 Ų1470.7 Ų70.79%0.08639%0.388CS..  trans-71-36-178.6-59.40000111.9I4 I345I4-T215 HydrophobicContact CG2-CG2 3.84Å; T215-I345 PolarHBondContact N-O 2.97Å; T215-I345 PolarHBondContact OG1-O 3.31Å
216G75Confident79.6Confident18 Ų1871.2 Ų71.219%0.18639%0.394CS..  trans88.8-172.7174.400000114.4T218 Y343G216-T218 PolarHBondContact O-N 3.04Å; G216-Y343 PolarHBondContact N-O 3.11Å
217H67.3Low79.8Confident156 Ų15672.1 Ų72.172%0.72239%0.393SS*.  trans-65.7129.2-175.2-70.5-70.2000111.5Y8 Y343Y8-H217 PolarHBondContact OH-O 3.31Å; H217-Y343 AromaticContact CD2-CE2 3.58Å; H217-Y343 AromaticContact CE1-CD2 3.89Å; H217-Y343 AromaticContact CE1-CE2 3.47Å; H217-Y343 VanDerWaalsContact CE1-CE2 3.47Å; H217-Y343 WeakPolarHBondContact CE1-CE2 3.42Å; H217-Y343 AromaticContact CG-CD2 3.98Å; H217-Y343 AromaticContact CG-CE2 3.71Å; H217-Y343 AromaticContact ND1-CD2 3.72Å; H217-Y343 AromaticContact ND1-CE2 3.65Å; H217-Y343 AromaticContact NE2-CE2 3.41Å; H217-Y343 WeakPolarHBondContact NE2-CE2 3.18Å
218T66.8Low79.8Confident19 Ų1965 Ų6512%0.11736%0.363CS..  trans-119.4132.2172.7-46.90000108Y8 L24 G216 Q220 M339Y8-T218 HydrophobicContact CE2-CG2 4.39Å; Y8-T218 PolarHBondContact OH-OG1 3.38Å; L24-T218 HydrophobicContact CD1-CG2 3.34Å; G216-T218 PolarHBondContact O-N 3.04Å; T218-Q220 PolarHBondContact O-N 3.23Å; T218-M339 HydrophobicContact CG2-CE 3.37Å; T218-M339 HydrophobicContact CG2-SD 4.05Å
219T65.3Low79.9Confident67 Ų6764.3 Ų64.341%0.41135%0.349SS..  trans-64.8128.2178.641.30000110.4Q21 M339Q21-T219 WeakPolarHBondContact CG-OG1 3.31Å; Q21-T219 PolarHBondContact OE1-OG1 3Å; T219-M339 VanDerWaalsContact O-CE 3.32Å; T219-M339 WeakPolarHBondContact O-CE 3.22Å
220Q68.7Low79.6Confident118 Ų11863.2 Ų63.255%0.55135%0.35SS*.  trans-75.8148.9173.3-77.6177.6-4.100110.6T218 M339 P340T218-Q220 PolarHBondContact O-N 3.23Å; Q220-M339 HydrophobicContact CG-CB 3.67Å; Q220-M339 HydrophobicContact CG-CG 4.06Å; Q220-P340 VanDerWaalsContact NE2-CD 3.3Å
221G75.5Confident79.3Confident25 Ų2559.5 Ų59.526%0.25834%0.341SS..  trans146.2141.7171.600000112.2
222L83.2Confident78.7Confident102 Ų10258.1 Ų58.153%0.53433%0.332SS..PPolyproline II helixtrans-72.7146.4163.5-71.3170000109L332 A336L222-L332 HydrophobicContact CD2-CD2 4.12Å; L222-A336 HydrophobicContact CD2-CB 4.17Å; L222-A336 HydrophobicContact CG-CB 4.27Å
223P84Confident77.8Confident19 Ų1961.2 Ų61.212%0.12335%0.353CS..PPolyproline II helixtrans-60.1131.8174.125.9-34.6000109.8Y25 F28 F225 V298Y25-P223 HydrophobicContact CD1-CB 3.85Å; Y25-P223 HydrophobicContact CD1-CG 4.31Å; Y25-P223 HydrophobicContact CD2-CB 3.93Å; Y25-P223 HydrophobicContact CE1-CB 4.08Å; Y25-P223 HydrophobicContact CE2-CB 4.13Å; Y25-P223 HydrophobicContact CG-CB 3.74Å; F28-P223 HydrophobicContact CE1-CB 4.5Å; F28-P223 HydrophobicContact CE1-CG 3.65Å; F28-P223 HydrophobicContact CZ-CG 3.71Å; P223-F225 PolarHBondContact O-N 3.38Å; P223-V298 HydrophobicContact CB-CB 4.13Å; P223-V298 VanDerWaalsContact CB-O 3.27Å; P223-V298 WeakPolarHBondContact CB-O 3.26Å; P223-V298 HydrophobicContact CG-CB 4.33Å
224P86.1Confident76.8Confident72 Ų7263.1 Ų63.147%0.46837%0.365SS..PPolyproline II helixtrans-64.7137.5170.128.6-32.7000109S226P224-S226 PolarHBondContact O-N 2.87Å
225F90.6Very high75.7Confident158 Ų15867 Ų6769%0.69340%0.395SS*.  trans-83.8108.7168.6-172.5-95.4000108.3P223 F297 V298P223-F225 PolarHBondContact O-N 3.38Å; F225-F297 WeakPolarHBondContact CA-O 3.37Å; F225-F297 HydrophobicContact CD2-CB 4.16Å; F225-F297 HydrophobicContact CE2-CB 3.64Å; F225-F297 HydrophobicContact CE2-CD1 4.45Å; F225-F297 HydrophobicContact CE2-CG 4.34Å; F225-F297 HydrophobicContact CZ-CB 4.11Å; F225-F297 HydrophobicContact CZ-CD1 4.05Å; F225-F297 HydrophobicContact CZ-CG 4.38Å; F225-V298 HydrophobicContact CD2-CG1 4.15Å
226S89.3Confident75.1Confident45 Ų4572.8 Ų72.832%0.31543%0.426SS..  trans-145.5141.6-178.1570000109.8P224 F297P224-S226 PolarHBondContact O-N 2.87Å; S226-F297 PolarHBondContact N-O 3.07Å; S226-F297 CarbonylContact O-C 3.46Å; S226-F297 VanDerWaalsContact O-CA 3.3Å; S226-F297 WeakPolarHBondContact O-CA 3.31Å; S226-F297 VanDerWaalsContact O-O 3.08Å
227P88.9Confident74.6Confident96 Ų9674.8 Ų74.862%0.62345%0.447SS*.PPolyproline II helixtrans-58.9147.6172.426.9-34000110.5F297P227-F297 HydrophobicContact CB-CE1 4.49Å
228P85.8Confident74.8Confident14 Ų1471.4 Ų71.49%0.09144%0.437CS..PPolyproline II helixtrans-59.6138.3177.823-31.6000110.6V67 L71 T230V67-P228 HydrophobicContact CG1-CB 4.14Å; L71-P228 HydrophobicContact CB-CB 4.49Å; L71-P228 HydrophobicContact CB-CG 4.42Å; L71-P228 HydrophobicContact CD1-CG 4.31Å; L71-P228 HydrophobicContact CD2-CB 4.34Å; L71-P228 HydrophobicContact CD2-CG 3.71Å; L71-P228 HydrophobicContact CG-CG 4.36Å; P228-T230 PolarHBondContact O-N 3.18Å
229P81.6Confident75.1Confident41 Ų4175.3 Ų75.327%0.26646%0.461SS..PPolyproline II helixtrans-67.6127.1-17626.9-32.7000110.5H64 L68H64-P229 HydrophobicContact CB-CG 3.97Å; H64-P229 WeakPolarHBondContact O-CG 3.39Å; L68-P229 WeakPolarHBondContact CD1-O 3.29Å
230T76.6Confident75.6Confident89 Ų8972.5 Ų72.555%0.54644%0.444SS..SBendtrans-99-917952.60000113.3P228 F242P228-T230 PolarHBondContact O-N 3.18Å; T230-F242 WeakPolarHBondContact O-CA 3.43Å; T230-F242 VanDerWaalsContact O-CB 3.26Å; T230-F242 WeakPolarHBondContact O-CB 3.4Å; T230-F242 PolarHBondContact O-N 3.47Å
231S72.2Confident76.2Confident69 Ų6969.7 Ų69.748%0.48344%0.437SS..  trans-135.9150.2172.554.40000109.6
232D67.6Low76.7Confident23 Ų2372.9 Ų72.912%0.12344%0.444CS..EExtended strand (participates in β ladder)trans-120.9147.5175.6-160.72.5000109Q62 R65 V239 V240 I245Q62-D232 PolarHBondContact OE1-OD2 2.91Å; R65-D232 IonicContact CZ-OD2 3.88Å; R65-D232 IonicContact NE-OD2 2.68Å; R65-D232 PolarHBondContact NE-OD2 3.33Å; R65-D232 VanDerWaalsContact NE-OD2 3.13Å; R65-D232 IonicContact NH2-OD2 3.24Å; D232-V239 CarbonylContact O-C 3.55Å; D232-V239 WeakPolarHBondContact O-CA 3.5Å; D232-V240 HydrophobicContact CB-CB 4.31Å; D232-V240 PolarHBondContact N-O 2.81Å; D232-V240 PolarHBondContact O-N 2.93Å; D232-I245 HydrophobicContact CB-CD1 3.84Å
233T66.3Low76.8Confident94 Ų9476.5 Ų76.558%0.57745%0.451SS*.EExtended strand (participates in β ladder)trans-112.5111.1175.28.90000107.6V239T233-V239 HydrophobicContact CG2-CG2 3.87Å
234T62.9Low76.7Confident48 Ų4880.1 Ų80.129%0.29447%0.466SS..  trans-62.2156.7177.6-52.50000109.5N236 G237 T238 V240T234-N236 HydrophobicContact CG2-CB 4.48Å; T234-N236 PolarHBondContact O-N 3.32Å; T234-G237 PolarHBondContact O-N 3.35Å; T234-T238 WeakPolarHBondContact CB-OG1 3.35Å; T234-T238 PolarHBondContact N-O 3.38Å; T234-T238 PolarHBondContact OG1-OG1 2.82Å; T234-V240 VanDerWaalsContact OG1-CG2 3.27Å; T234-V240 WeakPolarHBondContact OG1-CG2 3.46Å
235S60.3Low76.6Confident120 Ų12076.9 Ų76.984%0.83944%0.444SS*.THydrogen-bonded Turntrans-51.6-20.5172.254.50000114.3
236N62.6Low76.5Confident135 Ų13571.2 Ų71.272%0.72242%0.423SS*.THydrogen-bonded Turntrans-90.36.8177.8-63.2-0.4000113.6T234 T238T234-N236 HydrophobicContact CG2-CB 4.48Å; T234-N236 PolarHBondContact O-N 3.32Å; N236-T238 VanDerWaalsContact C-N 3.29Å; N236-T238 PolarHBondContact O-N 3.45Å
237G65.3Low76.4Confident61 Ų6174.6 Ų74.663%0.62943%0.433SS*.SBendtrans79.61.5178.900000115.2T234T234-G237 PolarHBondContact O-N 3.35Å
238T70.8Confident76.3Confident84 Ų8474.2 Ų74.252%0.51543%0.426SS..  trans-77.6127.7175.449.90000110.8T234 N236 V240T234-T238 WeakPolarHBondContact CB-OG1 3.35Å; T234-T238 PolarHBondContact N-O 3.38Å; T234-T238 PolarHBondContact OG1-OG1 2.82Å; N236-T238 VanDerWaalsContact C-N 3.29Å; N236-T238 PolarHBondContact O-N 3.45Å; T238-V240 PolarHBondContact O-N 3.04Å
239V73.1Confident76.5Confident101 Ų10173.9 Ų73.961%0.61242%0.423SS*.EExtended strand (participates in β ladder)trans-79.9110.4173.2-175.80000108D232 T233D232-V239 CarbonylContact O-C 3.55Å; D232-V239 WeakPolarHBondContact O-CA 3.5Å; T233-V239 HydrophobicContact CG2-CG2 3.87Å
240V75.4Confident76.9Confident9 Ų974 Ų746%0.05543%0.433CS..EExtended strand (participates in β ladder)trans-78.5124.7172.3-173.50000107.7D232 T234 T238 E244 I245D232-V240 HydrophobicContact CB-CB 4.31Å; D232-V240 PolarHBondContact N-O 2.81Å; D232-V240 PolarHBondContact O-N 2.93Å; T234-V240 VanDerWaalsContact OG1-CG2 3.27Å; T234-V240 WeakPolarHBondContact OG1-CG2 3.46Å; T238-V240 PolarHBondContact O-N 3.04Å; V240-E244 HydrophobicContact CG1-CB 3.82Å; V240-E244 HydrophobicContact CG1-CG 3.8Å; V240-E244 WeakPolarHBondContact CG1-OE2 3.43Å; V240-I245 HydrophobicContact CB-CG1 4.4Å; V240-I245 HydrophobicContact CG1-CD1 4.43Å; V240-I245 HydrophobicContact CG1-CG1 3.65Å
241S82.4Confident77.5Confident59 Ų5972.4 Ų72.441%0.41343%0.433SS..  trans-74.8155.6-178.972.10000111.6R243 E244 I245S241-R243 PolarHBondContact O-N 3.42Å; S241-R243 VanDerWaalsContact O-N 3.16Å; S241-E244 WeakPolarHBondContact O-CB 3.47Å; S241-E244 PolarHBondContact O-N 3.14Å; S241-E244 VanDerWaalsContact O-N 3.08Å; S241-E244 PolarHBondContact OG-N 3.3Å; S241-I245 PolarHBondContact O-N 3.37Å; S241-I245 VanDerWaalsContact O-N 3.15Å
242F85.3Confident78.3Confident91 Ų9169.6 Ų69.640%0.39942%0.416SS..Hα-helixtrans-48.7-43.6175.2174-106.1000112.7L68 L72 T230 E244 I245 V246L68-F242 HydrophobicContact CD1-CD2 4.39Å; L68-F242 HydrophobicContact CD1-CE2 3.99Å; L68-F242 HydrophobicContact CD2-CD2 4.04Å; L68-F242 HydrophobicContact CD2-CE2 4.14Å; L68-F242 HydrophobicContact CG-CE2 4.45Å; L72-F242 HydrophobicContact CD2-CE2 4.42Å; L72-F242 HydrophobicContact CD2-CZ 4.11Å; T230-F242 WeakPolarHBondContact O-CA 3.43Å; T230-F242 VanDerWaalsContact O-CB 3.26Å; T230-F242 WeakPolarHBondContact O-CB 3.4Å; T230-F242 PolarHBondContact O-N 3.47Å; F242-E244 VanDerWaalsContact C-N 3.35Å; F242-E244 PolarHBondContact O-N 3.42Å; F242-I245 PolarHBondContact O-N 2.93Å; F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CD2-CG2 4.24Å; F242-V246 HydrophobicContact CE1-CG2 3.78Å; F242-V246 HydrophobicContact CE2-CG2 3.79Å; F242-V246 HydrophobicContact CG-CG2 4.45Å; F242-V246 HydrophobicContact CZ-CG2 3.55Å; F242-V246 VanDerWaalsContact O-CG2 3.3Å; F242-V246 WeakPolarHBondContact O-CG2 3.41Å; F242-V246 PolarHBondContact O-N 2.88Å
243R85.1Confident79.5Confident179 Ų17969.9 Ų69.968%0.67542%0.417SS*.Hα-helixtrans-62.6-42.7-178.2-179.5177.4173177.7-1.1111.9S241 I245 V246 E247S241-R243 PolarHBondContact O-N 3.42Å; S241-R243 VanDerWaalsContact O-N 3.16Å; R243-I245 VanDerWaalsContact C-N 3.35Å; R243-V246 PolarHBondContact O-N 3.11Å; R243-E247 HydrophobicContact CG-CG 4.48Å; R243-E247 IonicContact CZ-OE1 3.95Å; R243-E247 IonicContact NE-OE1 2.73Å; R243-E247 PolarHBondContact NE-OE1 3.35Å; R243-E247 IonicContact NH2-OE1 3.22Å; R243-E247 PolarHBondContact NH2-OE1 3.35Å; R243-E247 WeakPolarHBondContact O-CB 3.39Å; R243-E247 WeakPolarHBondContact O-CG 3.21Å; R243-E247 PolarHBondContact O-N 3.41Å
244E83.6Confident80.7Confident94 Ų9468.5 Ų68.544%0.43942%0.415SS..Hα-helixtrans-66.1-38.8179.1-169.8174.9-171.700111V240 S241 F242 V246 E247 D248V240-E244 HydrophobicContact CG1-CB 3.82Å; V240-E244 HydrophobicContact CG1-CG 3.8Å; V240-E244 WeakPolarHBondContact CG1-OE2 3.43Å; S241-E244 WeakPolarHBondContact O-CB 3.47Å; S241-E244 PolarHBondContact O-N 3.14Å; S241-E244 VanDerWaalsContact O-N 3.08Å; S241-E244 PolarHBondContact OG-N 3.3Å; F242-E244 VanDerWaalsContact C-N 3.35Å; F242-E244 PolarHBondContact O-N 3.42Å; E244-V246 VanDerWaalsContact C-N 3.35Å; E244-V246 PolarHBondContact O-N 3.21Å; E244-E247 PolarHBondContact O-N 3Å; E244-D248 WeakPolarHBondContact O-CB 3.41Å; E244-D248 PolarHBondContact O-N 3.41Å
245I83.9Confident82.1Confident4 Ų470.2 Ų70.22%0.02143%0.425CS..Hα-helixtrans-64.8-39.1173.8-56.9169.7000111.6R65 L68 D232 V240 S241 F242 R243 D248 F249R65-I245 HydrophobicContact CG-CG2 4.19Å; L68-I245 HydrophobicContact CD2-CB 4.34Å; L68-I245 HydrophobicContact CD2-CD1 4.35Å; L68-I245 HydrophobicContact CD2-CG2 3.81Å; D232-I245 HydrophobicContact CB-CD1 3.84Å; V240-I245 HydrophobicContact CB-CG1 4.4Å; V240-I245 HydrophobicContact CG1-CD1 4.43Å; V240-I245 HydrophobicContact CG1-CG1 3.65Å; S241-I245 PolarHBondContact O-N 3.37Å; S241-I245 VanDerWaalsContact O-N 3.15Å; F242-I245 PolarHBondContact O-N 2.93Å; R243-I245 VanDerWaalsContact C-N 3.35Å; I245-D248 WeakPolarHBondContact O-CB 3.23Å; I245-D248 PolarHBondContact O-N 3.43Å; I245-F249 HydrophobicContact CG2-CD2 4.48Å; I245-F249 HydrophobicContact CG2-CE1 3.9Å; I245-F249 HydrophobicContact CG2-CE2 3.78Å; I245-F249 HydrophobicContact CG2-CZ 3.45Å; I245-F249 VanDerWaalsContact CG2-CZ 3.45Å; I245-F249 WeakPolarHBondContact O-CD2 3.31Å; I245-F249 VanDerWaalsContact O-CG 3.27Å; I245-F249 WeakPolarHBondContact O-CG 3.25Å; I245-F249 PolarHBondContact O-N 3.39Å; I245-F249 VanDerWaalsContact O-N 3.13Å
246V87.5Confident83.6Confident40 Ų4064.6 Ų64.624%0.24239%0.386CS..Hα-helixtrans-68-40.6177.3170.80000111.2L72 F242 R243 E244 F249 L253L72-V246 HydrophobicContact CD1-CG2 3.88Å; F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CD2-CG2 4.24Å; F242-V246 HydrophobicContact CE1-CG2 3.78Å; F242-V246 HydrophobicContact CE2-CG2 3.79Å; F242-V246 HydrophobicContact CG-CG2 4.45Å; F242-V246 HydrophobicContact CZ-CG2 3.55Å; F242-V246 VanDerWaalsContact O-CG2 3.3Å; F242-V246 WeakPolarHBondContact O-CG2 3.41Å; F242-V246 PolarHBondContact O-N 2.88Å; R243-V246 PolarHBondContact O-N 3.11Å; E244-V246 VanDerWaalsContact C-N 3.35Å; E244-V246 PolarHBondContact O-N 3.21Å; V246-F249 PolarHBondContact O-N 3.2Å; V246-L253 HydrophobicContact CG1-CD1 3.74Å
247E87.1Confident85Confident115 Ų11558.2 Ų58.254%0.53735%0.352SS..Hα-helixtrans-65.5-40.9174.6-73.8174.9-172.800111R243 E244 F249 G250R243-E247 HydrophobicContact CG-CG 4.48Å; R243-E247 IonicContact CZ-OE1 3.95Å; R243-E247 IonicContact NE-OE1 2.73Å; R243-E247 PolarHBondContact NE-OE1 3.35Å; R243-E247 IonicContact NH2-OE1 3.22Å; R243-E247 PolarHBondContact NH2-OE1 3.35Å; R243-E247 WeakPolarHBondContact O-CB 3.39Å; R243-E247 WeakPolarHBondContact O-CG 3.21Å; R243-E247 PolarHBondContact O-N 3.41Å; E244-E247 PolarHBondContact O-N 3Å; E247-F249 VanDerWaalsContact C-N 3.29Å; E247-F249 PolarHBondContact O-N 3.29Å; E247-G250 WeakPolarHBondContact O-CA 3.27Å; E247-G250 PolarHBondContact O-N 2.97Å
248D86.6Confident86.2Confident89 Ų8959.1 Ų59.148%0.47634%0.342SS..Hα-helixtrans-57.9-37.7174-861.2000112.5R65 E244 I245 G250R65-D248 IonicContact CZ-OD2 3.1Å; R65-D248 IonicContact NH1-OD2 2.69Å; R65-D248 PolarHBondContact NH1-OD2 2.93Å; E244-D248 WeakPolarHBondContact O-CB 3.41Å; E244-D248 PolarHBondContact O-N 3.41Å; I245-D248 WeakPolarHBondContact O-CB 3.23Å; I245-D248 PolarHBondContact O-N 3.43Å; D248-G250 PolarHBondContact O-N 3Å
249F89.6Confident87.1Confident6 Ų655.7 Ų55.73%0.02632%0.32CS..Hα-helixtrans-66.7-24177.5-64.5-27000113V58 V59 R65 L68 L69 L72 I245 V246 E247 G251 G252 L253V58-F249 HydrophobicContact CG1-CB 3.97Å; V58-F249 HydrophobicContact CG1-CD1 3.62Å; V58-F249 HydrophobicContact CG1-CE1 4.45Å; V58-F249 HydrophobicContact CG1-CG 4.08Å; V59-F249 HydrophobicContact CG2-CE1 3.99Å; R65-F249 HydrophobicContact CB-CE1 4.17Å; R65-F249 HydrophobicContact CB-CZ 4.16Å; R65-F249 WeakPolarHBondContact O-CZ 3.46Å; L68-F249 HydrophobicContact CD2-CE2 4.43Å; L68-F249 HydrophobicContact CG-CE2 4.46Å; L69-F249 HydrophobicContact CB-CE2 4.13Å; L69-F249 HydrophobicContact CB-CZ 4.04Å; L69-F249 HydrophobicContact CD1-CD2 4.06Å; L69-F249 HydrophobicContact CD1-CE2 4.25Å; L69-F249 HydrophobicContact CD1-CG 4.3Å; L72-F249 HydrophobicContact CD1-CD2 4Å; L72-F249 HydrophobicContact CD1-CE2 3.93Å; I245-F249 HydrophobicContact CG2-CD2 4.48Å; I245-F249 HydrophobicContact CG2-CE1 3.9Å; I245-F249 HydrophobicContact CG2-CE2 3.78Å; I245-F249 HydrophobicContact CG2-CZ 3.45Å; I245-F249 VanDerWaalsContact CG2-CZ 3.45Å; I245-F249 WeakPolarHBondContact O-CD2 3.31Å; I245-F249 VanDerWaalsContact O-CG 3.27Å; I245-F249 WeakPolarHBondContact O-CG 3.25Å; I245-F249 PolarHBondContact O-N 3.39Å; I245-F249 VanDerWaalsContact O-N 3.13Å; V246-F249 PolarHBondContact O-N 3.2Å; E247-F249 VanDerWaalsContact C-N 3.29Å; E247-F249 PolarHBondContact O-N 3.29Å; F249-G251 PolarHBondContact O-N 3.47Å; F249-G252 WeakPolarHBondContact O-CA 3.48Å; F249-G252 PolarHBondContact O-N 3.14Å; F249-L253 HydrophobicContact CB-CD1 4.02Å; F249-L253 HydrophobicContact CB-CD2 4.33Å; F249-L253 HydrophobicContact CB-CG 3.74Å; F249-L253 HydrophobicContact CD2-CD1 4.43Å; F249-L253 HydrophobicContact CD2-CD2 3.96Å; F249-L253 HydrophobicContact CD2-CG 4.25Å; F249-L253 HydrophobicContact CG-CG 4.49Å
250G89.8Confident87.9Confident45 Ų4550.9 Ų50.946%0.46429%0.291SS..THydrogen-bonded Turntrans47.2-129.4175.100000113.6E247 D248 G252 L253E247-G250 WeakPolarHBondContact O-CA 3.27Å; E247-G250 PolarHBondContact O-N 2.97Å; D248-G250 PolarHBondContact O-N 3Å; G250-G252 PolarHBondContact O-N 3.05Å; G250-L253 PolarHBondContact O-N 2.7Å
251G90.1Very high88.7Confident54 Ų5450.8 Ų50.856%0.55729%0.29SS*.THydrogen-bonded Turntrans-64.7-16.717800000114.6F249 L253 A254 V255F249-G251 PolarHBondContact O-N 3.47Å; G251-L253 PolarHBondContact O-N 2.87Å; G251-A254 PolarHBondContact O-N 3.26Å; G251-V255 WeakPolarHBondContact O-CG2 3.41Å; G251-V255 PolarHBondContact O-N 3.18Å
252G89.5Confident89Confident11 Ų1149.5 Ų49.511%0.11328%0.278CS..Hα-helixtrans-57.9-31.7177.200000113F249 G250 A254 V255 I256F249-G252 WeakPolarHBondContact O-CA 3.48Å; F249-G252 PolarHBondContact O-N 3.14Å; G250-G252 PolarHBondContact O-N 3.05Å; G252-A254 VanDerWaalsContact C-N 3.28Å; G252-A254 PolarHBondContact O-N 3.03Å; G252-V255 PolarHBondContact O-N 2.94Å; G252-I256 VanDerWaalsContact O-CB 3.28Å; G252-I256 WeakPolarHBondContact O-CB 3.48Å; G252-I256 WeakPolarHBondContact O-CG1 3.48Å; G252-I256 PolarHBondContact O-N 3.14Å
253L92.7Very high89.1Confident28 Ų2845.7 Ų45.715%0.14726%0.262CS..Hα-helixtrans-65.6-26.7176.4-74.7171.2000113.8L69 L72 I76 V246 F249 G250 G251 P257L69-L253 HydrophobicContact CD1-CD2 3.91Å; L72-L253 HydrophobicContact CB-CD2 3.73Å; L72-L253 HydrophobicContact CD1-CD2 3.7Å; L72-L253 HydrophobicContact CG-CD2 4.36Å; I76-L253 HydrophobicContact CD1-CB 4.34Å; I76-L253 WeakPolarHBondContact CD1-O 3.46Å; V246-L253 HydrophobicContact CG1-CD1 3.74Å; F249-L253 HydrophobicContact CB-CD1 4.02Å; F249-L253 HydrophobicContact CB-CD2 4.33Å; F249-L253 HydrophobicContact CB-CG 3.74Å; F249-L253 HydrophobicContact CD2-CD1 4.43Å; F249-L253 HydrophobicContact CD2-CD2 3.96Å; F249-L253 HydrophobicContact CD2-CG 4.25Å; F249-L253 HydrophobicContact CG-CG 4.49Å; G250-L253 PolarHBondContact O-N 2.7Å; G251-L253 PolarHBondContact O-N 2.87Å; L253-P257 WeakPolarHBondContact O-CD 3.14Å; L253-P257 WeakPolarHBondContact O-CG 3.48Å
254A91.4Very high89.4Confident66 Ų6637.2 Ų37.255%0.54523%0.23SC..Hα-helixtrans-91.2-41.2174.600000111.4G251 G252 L258G251-A254 PolarHBondContact O-N 3.26Å; G252-A254 VanDerWaalsContact C-N 3.28Å; G252-A254 PolarHBondContact O-N 3.03Å; A254-L258 VanDerWaalsContact O-CB 3.27Å; A254-L258 WeakPolarHBondContact O-CB 3.29Å; A254-L258 PolarHBondContact O-N 3.4Å
255V91.1Very high89.7Confident83 Ų8332.7 Ų32.750%0.50321%0.209SC..Hα-helixtrans-69.5-47.4-173.8174.90000111.7G251 G252 M259G251-V255 WeakPolarHBondContact O-CG2 3.41Å; G251-V255 PolarHBondContact O-N 3.18Å; G252-V255 PolarHBondContact O-N 2.94Å; V255-M259 WeakPolarHBondContact O-CB 3.43Å; V255-M259 PolarHBondContact O-N 3.32Å
256I91.9Very high90Very high2 Ų232.6 Ų32.61%0.0121%0.209CC..Hα-helixtrans-65.8-47.4-172.6-67.5178.8000112.7M51 L54 V58 L69 C73 G252 M259 G260 P302M51-I256 HydrophobicContact CE-CG2 3.29Å; M51-I256 HydrophobicContact SD-CG2 3.75Å; L54-I256 HydrophobicContact CB-CD1 4.3Å; L54-I256 HydrophobicContact CB-CG1 4.11Å; V58-I256 HydrophobicContact CB-CD1 4.11Å; V58-I256 HydrophobicContact CG2-CD1 3.67Å; L69-I256 HydrophobicContact CD2-CD1 3.71Å; C73-I256 VanDerWaalsContact SG-CG2 3.57Å; G252-I256 VanDerWaalsContact O-CB 3.28Å; G252-I256 WeakPolarHBondContact O-CB 3.48Å; G252-I256 WeakPolarHBondContact O-CG1 3.48Å; G252-I256 PolarHBondContact O-N 3.14Å; I256-M259 PolarHBondContact O-N 2.86Å; I256-G260 PolarHBondContact O-N 3.33Å; I256-P302 HydrophobicContact CG2-CB 4.37Å; I256-P302 HydrophobicContact CG2-CG 4.43Å
257P93.4Very high90.2Very high1 Ų130.7 Ų30.71%0.00620%0.197CC..Hα-helixtrans-70.7-36.8-179.5-8.521.5000112.4C73 I76 Q77 L253 M259 G260 L261C73-P257 HydrophobicContact CB-CB 4.15Å; C73-P257 HydrophobicContact CB-CG 3.9Å; I76-P257 HydrophobicContact CB-CB 4.39Å; I76-P257 HydrophobicContact CB-CG 4.27Å; I76-P257 HydrophobicContact CD1-CG 4.16Å; I76-P257 HydrophobicContact CG2-CB 4.19Å; I76-P257 HydrophobicContact CG2-CG 4.2Å; Q77-P257 HydrophobicContact CG-CB 3.76Å; Q77-P257 PolarHBondContact NE2-O 2.94Å; L253-P257 WeakPolarHBondContact O-CD 3.14Å; L253-P257 WeakPolarHBondContact O-CG 3.48Å; P257-M259 VanDerWaalsContact C-N 3.31Å; P257-G260 PolarHBondContact O-N 3.25Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.04Å
258L90.7Very high90.4Very high81 Ų8125.2 Ų25.242%0.42417%0.172SC..Hα-helixtrans-63.7-41.7174.1-177.164.7000110.5A254 L261 L262A254-L258 VanDerWaalsContact O-CB 3.27Å; A254-L258 WeakPolarHBondContact O-CB 3.29Å; A254-L258 PolarHBondContact O-N 3.4Å; L258-L261 WeakPolarHBondContact O-CB 3.25Å; L258-L261 PolarHBondContact O-N 3.46Å; L258-L262 HydrophobicContact CG-CD1 4.33Å; L258-L262 WeakPolarHBondContact O-CG 3.1Å; L258-L262 PolarHBondContact O-N 2.89Å
259M88.8Confident90.6Very high11 Ų1122.5 Ų22.55%0.05416%0.156CC..Hα-helixtrans-65.1-47.3177-179.947.4-160.100111.8I50 L54 V255 I256 P257 L261 L262 E263 Q393I50-M259 HydrophobicContact CG2-CE 4.06Å; L54-M259 HydrophobicContact CD1-CB 4.24Å; L54-M259 HydrophobicContact CD1-CG 3.77Å; V255-M259 WeakPolarHBondContact O-CB 3.43Å; V255-M259 PolarHBondContact O-N 3.32Å; I256-M259 PolarHBondContact O-N 2.86Å; P257-M259 VanDerWaalsContact C-N 3.31Å; M259-L261 PolarHBondContact O-N 3.44Å; M259-L262 PolarHBondContact O-N 3.21Å; M259-E263 HydrophobicContact CE-CB 3.98Å; M259-E263 PolarHBondContact O-N 3.41Å; M259-Q393 VanDerWaalsContact CE-CD 3.44Å; M259-Q393 HydrophobicContact CE-CG 3.29Å; M259-Q393 HydrophobicContact CG-CG 4.31Å; M259-Q393 HydrophobicContact SD-CB 4.36Å; M259-Q393 HydrophobicContact SD-CG 3.08Å; M259-Q393 WeakPolarHBondContact SD-CG 3.39Å
260G90.6Very high90.7Very high0 Ų022.3 Ų22.30%016%0.155CC..Hα-helixtrans-57.8-37.4175.600000112.5I256 P257 S264 T304I256-G260 PolarHBondContact O-N 3.33Å; P257-G260 PolarHBondContact O-N 3.25Å; G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.99Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-T304 PolarHBondContact O-OG1 3.45Å
261L90.8Very high90.8Very high8 Ų820.3 Ų20.34%0.04213%0.134CC..Hα-helixtrans-64-54173.6174.960.8000111.7M80 L89 P257 L258 M259 E263 S264 I265 L285 I288M80-L261 HydrophobicContact CE-CD2 4.39Å; L89-L261 HydrophobicContact CD1-CD1 3.66Å; L89-L261 HydrophobicContact CD1-CD2 4.09Å; L89-L261 HydrophobicContact CD1-CG 3.98Å; L89-L261 HydrophobicContact CD2-CD2 4.16Å; L89-L261 HydrophobicContact CD2-CG 4.28Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.04Å; L258-L261 WeakPolarHBondContact O-CB 3.25Å; L258-L261 PolarHBondContact O-N 3.46Å; M259-L261 PolarHBondContact O-N 3.44Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.29Å; L261-S264 PolarHBondContact O-N 3.36Å; L261-I265 VanDerWaalsContact O-CG2 3.22Å; L261-I265 WeakPolarHBondContact O-CG2 3.46Å; L261-I265 PolarHBondContact O-N 2.97Å; L261-L285 HydrophobicContact CB-CD1 4.43Å; L261-L285 HydrophobicContact CD1-CB 3.87Å; L261-L285 HydrophobicContact CD1-CD1 3.51Å; L261-L285 HydrophobicContact CD1-CG 4.15Å; L261-L285 HydrophobicContact CD2-CD1 3.84Å; L261-L285 HydrophobicContact CD2-CD2 4.38Å; L261-L285 HydrophobicContact CG-CD1 4.09Å; L261-I288 HydrophobicContact CD1-CD1 4.38Å
262L88.6Confident90.8Very high31 Ų3118 Ų1816%0.16211%0.109CC..Hα-helixtrans-58.8-42.2-177.8-72.6174.8000111.8L89 L258 M259 I265 A266L89-L262 HydrophobicContact CD2-CD2 4.25Å; L258-L262 HydrophobicContact CG-CD1 4.33Å; L258-L262 WeakPolarHBondContact O-CG 3.1Å; L258-L262 PolarHBondContact O-N 2.89Å; M259-L262 PolarHBondContact O-N 3.21Å; L262-I265 WeakPolarHBondContact O-CG2 2.98Å; L262-A266 WeakPolarHBondContact O-CB 3.44Å; L262-A266 PolarHBondContact O-N 2.9Å; L262-A266 VanDerWaalsContact O-N 3.11Å
263E87.8Confident90.8Very high12 Ų1219.1 Ų19.16%0.05612%0.115CC..Hα-helixtrans-64.9-50.1177.4-170.1175174.600111.3M259 L261 A266 I267 T304M259-E263 HydrophobicContact CE-CB 3.98Å; M259-E263 PolarHBondContact O-N 3.41Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.29Å; E263-A266 PolarHBondContact O-N 2.84Å; E263-I267 HydrophobicContact CG-CD1 3.97Å; E263-I267 WeakPolarHBondContact O-CD1 3.44Å; E263-I267 VanDerWaalsContact O-CG1 3.25Å; E263-I267 WeakPolarHBondContact O-CG1 3.47Å; E263-I267 PolarHBondContact O-N 3.37Å; E263-T304 HydrophobicContact CB-CG2 4.48Å; E263-T304 HydrophobicContact CG-CG2 4.36Å; E263-T304 WeakPolarHBondContact OE2-CG2 3.46Å
264S91.3Very high90.5Very high0 Ų021.2 Ų21.20%012%0.124CC..Hα-helixtrans-64.3-46.5-177.1-166.40000112.1G260 L261 A266 I267 A268 I288 T304G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.99Å; G260-S264 VanDerWaalsContact O-N 3.14Å; L261-S264 PolarHBondContact O-N 3.36Å; S264-A266 VanDerWaalsContact C-N 3.34Å; S264-A266 PolarHBondContact O-N 3.31Å; S264-I267 PolarHBondContact O-N 3.13Å; S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.46Å; S264-A268 PolarHBondContact O-N 3.38Å; S264-I288 VanDerWaalsContact OG-CD1 3.32Å; S264-I288 WeakPolarHBondContact OG-CD1 3.49Å; S264-T304 WeakPolarHBondContact CB-OG1 3.43Å; S264-T304 PolarHBondContact N-OG1 3.12Å
265I91.2Very high90.3Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-67.5-36.5-178.9-167.762000111.8L89 I92 L261 L262 A268 K269 I279 A281 E284L89-I265 HydrophobicContact CB-CG1 4.11Å; L89-I265 HydrophobicContact CD1-CB 4.07Å; L89-I265 HydrophobicContact CD1-CD1 4.34Å; L89-I265 HydrophobicContact CD1-CG1 3.81Å; L89-I265 HydrophobicContact CD1-CG2 4.13Å; L89-I265 HydrophobicContact CD2-CG2 4.03Å; L89-I265 HydrophobicContact CG-CG1 4.43Å; L89-I265 HydrophobicContact CG-CG2 4.5Å; I92-I265 HydrophobicContact CD1-CG2 4.13Å; L261-I265 VanDerWaalsContact O-CG2 3.22Å; L261-I265 WeakPolarHBondContact O-CG2 3.46Å; L261-I265 PolarHBondContact O-N 2.97Å; L262-I265 WeakPolarHBondContact O-CG2 2.98Å; I265-A268 PolarHBondContact O-N 2.9Å; I265-K269 HydrophobicContact CD1-CG 4.27Å; I265-K269 HydrophobicContact CG1-CD 4.31Å; I265-K269 HydrophobicContact CG1-CG 4.28Å; I265-K269 WeakPolarHBondContact O-CB 3.3Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 3.32Å; I265-I279 HydrophobicContact CD1-CG2 4.1Å; I265-A281 HydrophobicContact CD1-CB 4.26Å; I265-E284 HydrophobicContact CD1-CB 4.26Å; I265-E284 HydrophobicContact CD1-CG 4.25Å
266A89.3Confident90.2Very high2 Ų222.2 Ų22.22%0.01713%0.127CC..Hα-helixtrans-66.5-41.6178.100000110.5F100 L262 E263 S264 A270 I396F100-A266 HydrophobicContact CD1-CB 4Å; F100-A266 HydrophobicContact CE1-CB 3.31Å; F100-A266 HydrophobicContact CE2-CB 4.21Å; F100-A266 HydrophobicContact CZ-CB 3.43Å; F100-A266 VanDerWaalsContact CZ-CB 3.43Å; L262-A266 WeakPolarHBondContact O-CB 3.44Å; L262-A266 PolarHBondContact O-N 2.9Å; L262-A266 VanDerWaalsContact O-N 3.11Å; E263-A266 PolarHBondContact O-N 2.84Å; S264-A266 VanDerWaalsContact C-N 3.34Å; S264-A266 PolarHBondContact O-N 3.31Å; A266-A270 VanDerWaalsContact O-CB 3.23Å; A266-A270 WeakPolarHBondContact O-CB 3.22Å; A266-A270 PolarHBondContact O-N 3.02Å; A266-I396 HydrophobicContact CB-CD1 3.9Å
267I91Very high90.2Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-61.9-49171.7-67.4165.3000110.2V43 E263 S264 K269 A270 F271 G305 F307 T310V43-I267 HydrophobicContact CG2-CG2 4.41Å; E263-I267 HydrophobicContact CG-CD1 3.97Å; E263-I267 WeakPolarHBondContact O-CD1 3.44Å; E263-I267 VanDerWaalsContact O-CG1 3.25Å; E263-I267 WeakPolarHBondContact O-CG1 3.47Å; E263-I267 PolarHBondContact O-N 3.37Å; S264-I267 PolarHBondContact O-N 3.13Å; I267-K269 PolarHBondContact O-N 3.34Å; I267-A270 WeakPolarHBondContact O-CB 3.17Å; I267-A270 PolarHBondContact O-N 2.87Å; I267-F271 HydrophobicContact CG2-CD2 3.85Å; I267-F271 HydrophobicContact CG2-CE2 3.99Å; I267-F271 WeakPolarHBondContact O-CD2 3.49Å; I267-F271 PolarHBondContact O-N 2.79Å; I267-G305 VanDerWaalsContact CD1-C 3.48Å; I267-G305 WeakPolarHBondContact CD1-O 3.33Å; I267-F307 HydrophobicContact CD1-CD2 3.54Å; I267-F307 HydrophobicContact CD1-CE2 3.87Å; I267-F307 HydrophobicContact CD1-CG 3.99Å; I267-F307 HydrophobicContact CG1-CD1 3.99Å; I267-F307 HydrophobicContact CG1-CD2 3.5Å; I267-F307 VanDerWaalsContact CG1-CD2 3.5Å; I267-F307 HydrophobicContact CG1-CE1 3.89Å; I267-F307 HydrophobicContact CG1-CE2 3.39Å; I267-F307 HydrophobicContact CG1-CG 3.83Å; I267-F307 HydrophobicContact CG1-CZ 3.64Å; I267-T310 HydrophobicContact CG2-CG2 4.04Å
268A92.9Very high90Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-58.9-51.3-177.700000110.5V43 S264 I265 A270 F271 A272 I279V43-A268 HydrophobicContact CG2-CB 3.63Å; S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.46Å; S264-A268 PolarHBondContact O-N 3.38Å; I265-A268 PolarHBondContact O-N 2.9Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.35Å; A268-F271 PolarHBondContact O-N 3.44Å; A268-A272 VanDerWaalsContact O-CB 3.31Å; A268-A272 WeakPolarHBondContact O-CB 3.33Å; A268-A272 PolarHBondContact O-N 2.96Å; A268-I279 HydrophobicContact CB-CD1 3.49Å; A268-I279 VanDerWaalsContact CB-CD1 3.49Å; A268-I279 WeakPolarHBondContact O-CD1 3.1Å
269K91.2Very high90Very high32 Ų3233.3 Ų33.314%0.13917%0.165CC..Hα-helixtrans-62.4-34.8176.7-73-168.4174.3-169.60112.7L89 D90 I97 I265 I267 S273L89-K269 PolarHBondContact O-NZ 3.46Å; D90-K269 IonicContact OD1-NZ 3.68Å; D90-K269 PolarHBondContact OD1-NZ 2.84Å; I97-K269 HydrophobicContact CD1-CB 3.85Å; I97-K269 HydrophobicContact CD1-CD 4.01Å; I97-K269 HydrophobicContact CG1-CB 4.3Å; I97-K269 HydrophobicContact CG2-CB 4.48Å; I265-K269 HydrophobicContact CD1-CG 4.27Å; I265-K269 HydrophobicContact CG1-CD 4.31Å; I265-K269 HydrophobicContact CG1-CG 4.28Å; I265-K269 WeakPolarHBondContact O-CB 3.3Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 3.32Å; I267-K269 PolarHBondContact O-N 3.34Å; K269-S273 VanDerWaalsContact O-CB 3.25Å; K269-S273 WeakPolarHBondContact O-CB 3.28Å; K269-S273 PolarHBondContact O-N 3.42Å
270A89.9Confident90.2Very high2 Ų237.1 Ų37.12%0.01719%0.185CC..Hα-helixtrans-61.6-49.9175.200000112.2I97 T101 A266 I267 A268 S273 Q274I97-A270 HydrophobicContact CG2-CB 4.08Å; T101-A270 HydrophobicContact CG2-CB 4.15Å; T101-A270 WeakPolarHBondContact OG1-CB 3.45Å; A266-A270 VanDerWaalsContact O-CB 3.23Å; A266-A270 WeakPolarHBondContact O-CB 3.22Å; A266-A270 PolarHBondContact O-N 3.02Å; I267-A270 WeakPolarHBondContact O-CB 3.17Å; I267-A270 PolarHBondContact O-N 2.87Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.35Å; A270-S273 PolarHBondContact O-N 3.28Å; A270-Q274 PolarHBondContact O-N 3.45Å; A270-Q274 VanDerWaalsContact O-N 3.09Å
271F91.9Very high90.3Very high3 Ų337.3 Ų37.31%0.01319%0.187CC..Hα-helixtrans-72.1-36.2179.2-79.4-84.5000112.6D42 I267 A268 S273 Q274 N275 F307 T310 A311 M361D42-F271 HydrophobicContact CB-CB 4.11Å; D42-F271 HydrophobicContact CB-CD1 4.4Å; D42-F271 HydrophobicContact CB-CG 4.4Å; I267-F271 HydrophobicContact CG2-CD2 3.85Å; I267-F271 HydrophobicContact CG2-CE2 3.99Å; I267-F271 WeakPolarHBondContact O-CD2 3.49Å; I267-F271 PolarHBondContact O-N 2.79Å; A268-F271 PolarHBondContact O-N 3.44Å; F271-S273 VanDerWaalsContact C-N 3.35Å; F271-S273 PolarHBondContact O-N 3.09Å; F271-Q274 PolarHBondContact O-N 3.47Å; F271-Q274 VanDerWaalsContact O-N 3.14Å; F271-N275 WeakPolarHBondContact O-CB 3.29Å; F271-N275 PolarHBondContact O-N 3.43Å; F271-F307 HydrophobicContact CE2-CD1 4.26Å; F271-T310 HydrophobicContact CB-CG2 4.44Å; F271-T310 HydrophobicContact CD1-CG2 4.01Å; F271-T310 HydrophobicContact CD2-CG2 3.27Å; F271-T310 HydrophobicContact CE1-CG2 4.07Å; F271-T310 HydrophobicContact CE2-CG2 3.34Å; F271-T310 HydrophobicContact CG-CG2 3.63Å; F271-T310 HydrophobicContact CZ-CG2 3.75Å; F271-A311 HydrophobicContact CE1-CB 4.38Å; F271-A311 HydrophobicContact CZ-CB 3.87Å; F271-M361 HydrophobicContact CD2-CE 4.35Å; F271-M361 HydrophobicContact CE1-CE 4.16Å; F271-M361 HydrophobicContact CE1-SD 4.35Å; F271-M361 HydrophobicContact CE2-CE 3.47Å; F271-M361 VanDerWaalsContact CE2-CE 3.47Å; F271-M361 HydrophobicContact CE2-SD 4.31Å; F271-M361 HydrophobicContact CZ-CE 3.35Å; F271-M361 HydrophobicContact CZ-SD 3.64Å
272A91.8Very high90.4Very high5 Ų538.8 Ų38.84%0.04120%0.195CC..Hα-helixtrans-60.3-43.2171.100000112.9A268 Q274 N275 S276 Y277 I279A268-A272 VanDerWaalsContact O-CB 3.31Å; A268-A272 WeakPolarHBondContact O-CB 3.33Å; A268-A272 PolarHBondContact O-N 2.96Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 2.92Å; A272-N275 PolarHBondContact O-N 3.42Å; A272-S276 WeakPolarHBondContact O-CA 3.07Å; A272-S276 PolarHBondContact O-N 2.84Å; A272-Y277 VanDerWaalsContact CA-CE1 3.48Å; A272-Y277 VanDerWaalsContact CA-CZ 3.42Å; A272-Y277 HydrophobicContact CB-CD1 4.45Å; A272-Y277 HydrophobicContact CB-CD2 3.86Å; A272-Y277 HydrophobicContact CB-CE1 4.19Å; A272-Y277 HydrophobicContact CB-CE2 3.55Å; A272-Y277 HydrophobicContact CB-CG 4.29Å; A272-Y277 WeakPolarHBondContact CB-O 3.12Å; A272-Y277 PolarHBondContact N-OH 3.38Å; A272-Y277 PolarHBondContact O-N 3.27Å; A272-Y277 VanDerWaalsContact O-N 3.14Å; A272-I279 HydrophobicContact CB-CD1 3.37Å; A272-I279 HydrophobicContact CB-CG1 3.73Å
273S88.1Confident90.7Very high35 Ų3540.1 Ų40.125%0.24520%0.201CC..Hα-helixtrans-64.3-32.1174.51720000112.5Y94 K98 K269 A270 F271Y94-S273 VanDerWaalsContact CE2-OG 3.23Å; Y94-S273 WeakPolarHBondContact CE2-OG 3.17Å; K98-S273 VanDerWaalsContact CE-OG 3.28Å; K98-S273 WeakPolarHBondContact CE-OG 3.38Å; K98-S273 PolarHBondContact NZ-OG 3.1Å; K269-S273 VanDerWaalsContact O-CB 3.25Å; K269-S273 WeakPolarHBondContact O-CB 3.28Å; K269-S273 PolarHBondContact O-N 3.42Å; A270-S273 PolarHBondContact O-N 3.28Å; F271-S273 VanDerWaalsContact C-N 3.35Å; F271-S273 PolarHBondContact O-N 3.09Å
274Q86Confident90.9Very high71 Ų7139.6 Ų39.633%0.33220%0.198SC..Hα-helixtrans-77.8-39.6179.6-174167.91000111.9A270 F271 A272 P360A270-Q274 PolarHBondContact O-N 3.45Å; A270-Q274 VanDerWaalsContact O-N 3.09Å; F271-Q274 PolarHBondContact O-N 3.47Å; F271-Q274 VanDerWaalsContact O-N 3.14Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 2.92Å; Q274-P360 PolarHBondContact NE2-O 3.18Å
275N88.8Confident91.1Very high57 Ų5739.6 Ų39.631%0.30520%0.198SC..Hα-helixtrans-100.310.2-175.1-66.4-31.8000113.7D42 F271 A272 Y277 S314D42-N275 PolarHBondContact OD1-ND2 3.41Å; D42-N275 PolarHBondContact OD2-ND2 3.32Å; F271-N275 WeakPolarHBondContact O-CB 3.29Å; F271-N275 PolarHBondContact O-N 3.43Å; A272-N275 PolarHBondContact O-N 3.42Å; N275-Y277 HydrophobicContact CB-CD1 3.75Å; N275-Y277 HydrophobicContact CB-CE1 3.64Å; N275-Y277 PolarHBondContact O-N 2.91Å; N275-S314 PolarHBondContact ND2-OG 3.24Å
276S88.2Confident91.3Very high114 Ų11441.9 Ų41.980%0.79721%0.21SC*.THydrogen-bonded Turntrans58.246.9172.8-550000115.1A272A272-S276 WeakPolarHBondContact O-CA 3.07Å; A272-S276 PolarHBondContact O-N 2.84Å
277Y91.8Very high91.6Very high49 Ų4941.8 Ų41.819%0.19221%0.209CC..  trans-127.4172169.765.4-88.6000111.4S40 K41 D42 A272 N275 I279S40-Y277 PolarHBondContact OG-OH 3.43Å; K41-Y277 HydrophobicContact CD-CE1 4.47Å; K41-Y277 HydrophobicContact CG-CE1 4.12Å; D42-Y277 WeakPolarHBondContact OD2-CE1 3.46Å; D42-Y277 PolarHBondContact OD2-OH 3.38Å; D42-Y277 VanDerWaalsContact OD2-OH 3.14Å; A272-Y277 VanDerWaalsContact CA-CE1 3.48Å; A272-Y277 VanDerWaalsContact CA-CZ 3.42Å; A272-Y277 HydrophobicContact CB-CD1 4.45Å; A272-Y277 HydrophobicContact CB-CD2 3.86Å; A272-Y277 HydrophobicContact CB-CE1 4.19Å; A272-Y277 HydrophobicContact CB-CE2 3.55Å; A272-Y277 HydrophobicContact CB-CG 4.29Å; A272-Y277 WeakPolarHBondContact CB-O 3.12Å; A272-Y277 PolarHBondContact N-OH 3.38Å; A272-Y277 PolarHBondContact O-N 3.27Å; A272-Y277 VanDerWaalsContact O-N 3.14Å; N275-Y277 HydrophobicContact CB-CD1 3.75Å; N275-Y277 HydrophobicContact CB-CE1 3.64Å; N275-Y277 PolarHBondContact O-N 2.91Å; Y277-I279 HydrophobicContact CD2-CG1 4.15Å; Y277-I279 HydrophobicContact CE2-CD1 3.93Å; Y277-I279 HydrophobicContact CE2-CG1 3.71Å
278R88.8Confident91.8Very high238 Ų23841.8 Ų41.890%0.89821%0.209SC*.  trans-109.6153.8179.4-66.6-173.1179.5-174.30.3110.9
279I92Very high92Very high30 Ų3041.8 Ų41.815%0.15421%0.209CC..  trans-125.8140.3-178.4-72177000108.2I265 A268 A272 Y277 E284I265-I279 HydrophobicContact CD1-CG2 4.1Å; A268-I279 HydrophobicContact CB-CD1 3.49Å; A268-I279 VanDerWaalsContact CB-CD1 3.49Å; A268-I279 WeakPolarHBondContact O-CD1 3.1Å; A272-I279 HydrophobicContact CB-CD1 3.37Å; A272-I279 HydrophobicContact CB-CG1 3.73Å; Y277-I279 HydrophobicContact CD2-CG1 4.15Å; Y277-I279 HydrophobicContact CE2-CD1 3.93Å; Y277-I279 HydrophobicContact CE2-CG1 3.71Å; I279-E284 HydrophobicContact CG2-CG 3.4Å
280D92.5Very high92.3Very high90 Ų9042 Ų4248%0.48121%0.213SC..  trans-93.7112.1169-176.1-25.2000109.2T39 N282 Q283 E284T39-D280 HydrophobicContact CG2-CB 4.07Å; T39-D280 PolarHBondContact OG1-N 2.88Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 3.46Å; D280-N282 PolarHBondContact OD1-N 3.01Å; D280-Q283 HydrophobicContact CB-CB 3.86Å; D280-Q283 PolarHBondContact O-N 2.86Å; D280-Q283 PolarHBondContact OD1-N 2.67Å; D280-E284 WeakPolarHBondContact O-CG 3.47Å; D280-E284 PolarHBondContact O-N 3.14Å
281A91.6Very high92.6Very high5 Ų542 Ų424%0.04121%0.213CC..Hα-helixtrans-58.8-38-179.200000113.4G86 L89 I265 L285G86-A281 WeakPolarHBondContact O-CB 3.4Å; L89-A281 HydrophobicContact CB-CB 3.98Å; L89-A281 HydrophobicContact CD1-CB 4.07Å; I265-A281 HydrophobicContact CD1-CB 4.26Å; A281-L285 WeakPolarHBondContact O-CB 3.49Å; A281-L285 PolarHBondContact O-N 3.43Å; A281-L285 VanDerWaalsContact O-N 3.11Å
282N94.1Very high92.7Very high39 Ų3941.9 Ų41.921%0.20921%0.212CC..Hα-helixtrans-73.7-37-177.8-160.858.7000111.3A81 R84 D280 L285 L286A81-N282 WeakPolarHBondContact CA-OD1 3.27Å; A81-N282 PolarHBondContact O-ND2 2.9Å; A81-N282 PolarHBondContact O-OD1 2.87Å; R84-N282 WeakPolarHBondContact CA-OD1 3.46Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 3.46Å; D280-N282 PolarHBondContact OD1-N 3.01Å; N282-L285 WeakPolarHBondContact O-CB 3.31Å; N282-L285 PolarHBondContact O-N 3.07Å; N282-L286 PolarHBondContact O-N 2.83Å
283Q94.2Very high93Very high59 Ų5943.6 Ų43.628%0.27622%0.22SC..Hα-helixtrans-70.1-38.8177.2-171.664.218.400111.8L37 T39 D280 L285 L286 A287L37-Q283 WeakPolarHBondContact O-CG 3.38Å; L37-Q283 PolarHBondContact O-NE2 3.49Å; T39-Q283 HydrophobicContact CG2-CB 3.72Å; T39-Q283 HydrophobicContact CG2-CG 3.47Å; T39-Q283 VanDerWaalsContact CG2-CG 3.47Å; D280-Q283 HydrophobicContact CB-CB 3.86Å; D280-Q283 PolarHBondContact O-N 2.86Å; D280-Q283 PolarHBondContact OD1-N 2.67Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.25Å; Q283-L286 PolarHBondContact O-N 2.82Å; Q283-A287 WeakPolarHBondContact O-CB 3.37Å; Q283-A287 PolarHBondContact O-N 2.87Å
284E93.5Very high93.4Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-60.6-43.2171.3-71.2-61.3133.900112.1Y34 T39 S40 I265 I279 D280 L286 A287 I288Y34-E284 VanDerWaalsContact CE2-OE2 3.25Å; Y34-E284 WeakPolarHBondContact CE2-OE2 3.32Å; Y34-E284 PolarHBondContact OH-OE1 3.49Å; Y34-E284 PolarHBondContact OH-OE2 3.39Å; T39-E284 WeakPolarHBondContact CA-OE1 3.33Å; T39-E284 PolarHBondContact N-OE1 3.39Å; T39-E284 PolarHBondContact OG1-OE1 3.1Å; S40-E284 PolarHBondContact N-OE1 3.47Å; S40-E284 VanDerWaalsContact N-OE1 3.12Å; I265-E284 HydrophobicContact CD1-CB 4.26Å; I265-E284 HydrophobicContact CD1-CG 4.25Å; I279-E284 HydrophobicContact CG2-CG 3.4Å; D280-E284 WeakPolarHBondContact O-CG 3.47Å; D280-E284 PolarHBondContact O-N 3.14Å; E284-L286 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 2.93Å; E284-A287 PolarHBondContact O-N 3.34Å; E284-I288 WeakPolarHBondContact O-CD1 3.39Å; E284-I288 VanDerWaalsContact O-CG1 3.25Å; E284-I288 WeakPolarHBondContact O-CG1 3.22Å; E284-I288 PolarHBondContact O-N 3.48Å
285L93.9Very high93.7Very high1 Ų142.2 Ų42.21%0.00521%0.211CC..Hα-helixtrans-60.7-43.8176.8174.556.2000111.7Q77 M80 A81 L261 A281 N282 Q283 G289Q77-L285 HydrophobicContact CB-CD1 3.9Å; Q77-L285 HydrophobicContact CG-CD1 4.09Å; Q77-L285 WeakPolarHBondContact O-CD1 3.4Å; Q77-L285 WeakPolarHBondContact O-CG 3.36Å; M80-L285 HydrophobicContact CB-CD1 4.39Å; M80-L285 HydrophobicContact CB-CD2 3.73Å; M80-L285 HydrophobicContact CB-CG 4.45Å; M80-L285 HydrophobicContact CE-CD1 3.99Å; A81-L285 HydrophobicContact CB-CB 4.4Å; A81-L285 HydrophobicContact CB-CD2 4.2Å; A81-L285 HydrophobicContact CB-CG 3.94Å; L261-L285 HydrophobicContact CB-CD1 4.43Å; L261-L285 HydrophobicContact CD1-CB 3.87Å; L261-L285 HydrophobicContact CD1-CD1 3.51Å; L261-L285 HydrophobicContact CD1-CG 4.15Å; L261-L285 HydrophobicContact CD2-CD1 3.84Å; L261-L285 HydrophobicContact CD2-CD2 4.38Å; L261-L285 HydrophobicContact CG-CD1 4.09Å; A281-L285 WeakPolarHBondContact O-CB 3.49Å; A281-L285 PolarHBondContact O-N 3.43Å; A281-L285 VanDerWaalsContact O-N 3.11Å; N282-L285 WeakPolarHBondContact O-CB 3.31Å; N282-L285 PolarHBondContact O-N 3.07Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.25Å; L285-G289 PolarHBondContact O-N 3.04Å
286L96.1Very high94Very high47 Ų4739.5 Ų39.525%0.24620%0.197CC..Hα-helixtrans-62.1-45.1174.1-175.764.6000111.5A81 N282 Q283 E284 I288 G289 V290A81-L286 HydrophobicContact CB-CB 3.81Å; A81-L286 HydrophobicContact CB-CD1 4.13Å; N282-L286 PolarHBondContact O-N 2.83Å; Q283-L286 PolarHBondContact O-N 2.82Å; E284-L286 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 2.93Å; L286-I288 VanDerWaalsContact C-N 3.35Å; L286-I288 PolarHBondContact O-N 3.23Å; L286-G289 PolarHBondContact O-N 3.42Å; L286-V290 HydrophobicContact CD1-CG2 4.05Å; L286-V290 HydrophobicContact CG-CG2 4.29Å; L286-V290 WeakPolarHBondContact O-CG2 3.31Å; L286-V290 PolarHBondContact O-N 3.06Å
287A95.6Very high94.2Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-60.5-42.5-17900000112.2Y34 L37 Q283 E284 T291Y34-A287 HydrophobicContact CD2-CB 4.01Å; Y34-A287 HydrophobicContact CE2-CB 4.25Å; L37-A287 HydrophobicContact CB-CB 3.77Å; Q283-A287 WeakPolarHBondContact O-CB 3.37Å; Q283-A287 PolarHBondContact O-N 2.87Å; E284-A287 PolarHBondContact O-N 3.34Å; A287-T291 VanDerWaalsContact O-CB 3.28Å; A287-T291 WeakPolarHBondContact O-CB 3.37Å; A287-T291 PolarHBondContact O-N 3.39Å; A287-T291 PolarHBondContact O-OG1 2.97Å
288I95.3Very high94.3Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-66.8-44.8175.9-59.4155.7000110.4L45 L261 S264 E284 L286 T291 N292L45-I288 HydrophobicContact CD1-CG1 4.41Å; L45-I288 HydrophobicContact CD2-CG1 4.06Å; L261-I288 HydrophobicContact CD1-CD1 4.38Å; S264-I288 VanDerWaalsContact OG-CD1 3.32Å; S264-I288 WeakPolarHBondContact OG-CD1 3.49Å; E284-I288 WeakPolarHBondContact O-CD1 3.39Å; E284-I288 VanDerWaalsContact O-CG1 3.25Å; E284-I288 WeakPolarHBondContact O-CG1 3.22Å; E284-I288 PolarHBondContact O-N 3.48Å; L286-I288 VanDerWaalsContact C-N 3.35Å; L286-I288 PolarHBondContact O-N 3.23Å; I288-T291 WeakPolarHBondContact O-CB 3.31Å; I288-T291 PolarHBondContact O-N 3.48Å; I288-N292 PolarHBondContact O-N 3.25Å; I288-N292 PolarHBondContact O-ND2 2.8Å
289G96.4Very high94.3Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-59.5-50.6179.600000112.6G74 L285 L286 T291 N292 I293G74-G289 WeakPolarHBondContact CA-O 3.12Å; G74-G289 WeakPolarHBondContact O-CA 3.42Å; L285-G289 PolarHBondContact O-N 3.04Å; L286-G289 PolarHBondContact O-N 3.42Å; G289-T291 VanDerWaalsContact C-N 3.29Å; G289-T291 PolarHBondContact O-N 3.37Å; G289-N292 PolarHBondContact O-N 3.04Å; G289-I293 WeakPolarHBondContact O-CG1 3.27Å; G289-I293 PolarHBondContact O-N 3.14Å
290V97Very high94.1Very high38 Ų3822.8 Ų22.823%0.2312%0.119CC..Hα-helixtrans-63.9-36.3176.6178.20000111.2I33 L37 L286 N292 I293 M294I33-V290 HydrophobicContact CD1-CG1 4.44Å; I33-V290 HydrophobicContact CG2-CB 3.97Å; I33-V290 HydrophobicContact CG2-CG1 3.71Å; L37-V290 HydrophobicContact CD1-CB 3.75Å; L37-V290 HydrophobicContact CD1-CG1 3.91Å; L37-V290 HydrophobicContact CD1-CG2 3.77Å; L286-V290 HydrophobicContact CD1-CG2 4.05Å; L286-V290 HydrophobicContact CG-CG2 4.29Å; L286-V290 WeakPolarHBondContact O-CG2 3.31Å; L286-V290 PolarHBondContact O-N 3.06Å; V290-N292 VanDerWaalsContact C-N 3.33Å; V290-N292 PolarHBondContact O-N 2.89Å; V290-I293 PolarHBondContact O-N 2.62Å; V290-M294 HydrophobicContact CG1-CG 4.06Å; V290-M294 WeakPolarHBondContact O-CB 3.27Å; V290-M294 WeakPolarHBondContact O-CG 3.41Å; V290-M294 PolarHBondContact O-N 3.14Å
291T96Very high94Very high1 Ų118.6 Ų18.61%0.00610%0.096CC..Hα-helixtrans-60.8-42.9175.4-63.80000111.6G30 I33 L45 A287 I288 G289 G295 V303G30-T291 VanDerWaalsContact CA-CG2 3.46Å; I33-T291 WeakPolarHBondContact CB-OG1 3.34Å; I33-T291 WeakPolarHBondContact CG2-OG1 3.41Å; L45-T291 HydrophobicContact CD1-CG2 4.02Å; L45-T291 VanDerWaalsContact CD1-OG1 3.32Å; L45-T291 WeakPolarHBondContact CD1-OG1 3.45Å; A287-T291 VanDerWaalsContact O-CB 3.28Å; A287-T291 WeakPolarHBondContact O-CB 3.37Å; A287-T291 PolarHBondContact O-N 3.39Å; A287-T291 PolarHBondContact O-OG1 2.97Å; I288-T291 WeakPolarHBondContact O-CB 3.31Å; I288-T291 PolarHBondContact O-N 3.48Å; G289-T291 VanDerWaalsContact C-N 3.29Å; G289-T291 PolarHBondContact O-N 3.37Å; T291-G295 WeakPolarHBondContact O-CA 3.44Å; T291-G295 PolarHBondContact O-N 3.41Å; T291-V303 HydrophobicContact CG2-CG2 3.49Å; T291-V303 VanDerWaalsContact CG2-CG2 3.49Å
292N96.1Very high94Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-71.2-35.6-180-79.5-33.8000112.8S70 Q77 I288 G289 V290 S296 V303S70-N292 PolarHBondContact OG-O 2.97Å; Q77-N292 PolarHBondContact OE1-ND2 3.42Å; I288-N292 PolarHBondContact O-N 3.25Å; I288-N292 PolarHBondContact O-ND2 2.8Å; G289-N292 PolarHBondContact O-N 3.04Å; V290-N292 VanDerWaalsContact C-N 3.33Å; V290-N292 PolarHBondContact O-N 2.89Å; N292-S296 PolarHBondContact O-N 3.04Å; N292-V303 PolarHBondContact ND2-O 3.37Å; N292-V303 WeakPolarHBondContact OD1-CG2 3.46Å; N292-V303 PolarHBondContact OD1-N 2.67Å; N292-V303 PolarHBondContact OD1-O 3.09Å
293I96.8Very high93.9Very high41 Ų4116.7 Ų16.721%0.219%0.086CC..Hα-helixtrans-64.2-54171.8-65.9168000110.2L71 V75 A78 G289 V290 G295 S296 F297L71-I293 HydrophobicContact CD1-CG2 4.11Å; V75-I293 HydrophobicContact CG2-CD1 4.23Å; V75-I293 HydrophobicContact CG2-CG1 4.27Å; A78-I293 HydrophobicContact CB-CD1 4.23Å; G289-I293 WeakPolarHBondContact O-CG1 3.27Å; G289-I293 PolarHBondContact O-N 3.14Å; V290-I293 PolarHBondContact O-N 2.62Å; I293-G295 VanDerWaalsContact C-N 3.27Å; I293-G295 PolarHBondContact O-N 2.83Å; I293-S296 PolarHBondContact O-N 3.48Å; I293-S296 PolarHBondContact O-OG 3.15Å; I293-F297 HydrophobicContact CG2-CE2 4.43Å; I293-F297 VanDerWaalsContact O-CD2 3.27Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å
294M95.9Very high93.8Very high75 Ų7513.9 Ų13.937%0.3697%0.072SC..Hα-helixtrans-67.5-32.3-178.4-65.2-58.4-65.200111.7M29 I33 V290 S296 F297M29-M294 HydrophobicContact CE-CB 4.47Å; M29-M294 HydrophobicContact CG-CB 4.01Å; M29-M294 HydrophobicContact SD-CB 3.92Å; I33-M294 HydrophobicContact CD1-CB 4.18Å; I33-M294 HydrophobicContact CD1-CG 3.89Å; I33-M294 HydrophobicContact CG1-CB 4.21Å; I33-M294 HydrophobicContact CG1-CG 4.34Å; V290-M294 HydrophobicContact CG1-CG 4.06Å; V290-M294 WeakPolarHBondContact O-CB 3.27Å; V290-M294 WeakPolarHBondContact O-CG 3.41Å; V290-M294 PolarHBondContact O-N 3.14Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 2.65Å; M294-F297 PolarHBondContact O-N 2.99Å
295G93.3Very high93.6Very high2 Ų213.9 Ų13.92%0.0217%0.072CC..Hα-helixtrans-60.9-36.1174.700000112.9T291 I293 F297 V298 A300T291-G295 WeakPolarHBondContact O-CA 3.44Å; T291-G295 PolarHBondContact O-N 3.41Å; I293-G295 VanDerWaalsContact C-N 3.27Å; I293-G295 PolarHBondContact O-N 2.83Å; G295-F297 PolarHBondContact O-N 3.46Å; G295-V298 CarbonylContact O-C 3.6Å; G295-V298 WeakPolarHBondContact O-CG2 3.24Å; G295-V298 PolarHBondContact O-N 2.98Å; G295-A300 WeakPolarHBondContact O-CB 3.19Å; G295-A300 PolarHBondContact O-N 3.37Å
296S94.1Very high93.3Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-64.6-25.9-178.870.90000112.9V67 N292 I293 M294 V298 S299V67-S296 WeakPolarHBondContact CG1-O 3.23Å; V67-S296 WeakPolarHBondContact O-CB 3.36Å; N292-S296 PolarHBondContact O-N 3.04Å; I293-S296 PolarHBondContact O-N 3.48Å; I293-S296 PolarHBondContact O-OG 3.15Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 2.65Å; S296-V298 PolarHBondContact O-N 2.7Å; S296-S299 PolarHBondContact O-N 2.93Å
297F93.9Very high92.9Very high59 Ų5912.5 Ų12.526%0.2597%0.065SC..THydrogen-bonded Turntrans-73.6-14.6176.2-70-94.1000113.9F225 S226 P227 I293 M294 G295F225-F297 WeakPolarHBondContact CA-O 3.37Å; F225-F297 HydrophobicContact CD2-CB 4.16Å; F225-F297 HydrophobicContact CE2-CB 3.64Å; F225-F297 HydrophobicContact CE2-CD1 4.45Å; F225-F297 HydrophobicContact CE2-CG 4.34Å; F225-F297 HydrophobicContact CZ-CB 4.11Å; F225-F297 HydrophobicContact CZ-CD1 4.05Å; F225-F297 HydrophobicContact CZ-CG 4.38Å; S226-F297 PolarHBondContact N-O 3.07Å; S226-F297 CarbonylContact O-C 3.46Å; S226-F297 VanDerWaalsContact O-CA 3.3Å; S226-F297 WeakPolarHBondContact O-CA 3.31Å; S226-F297 VanDerWaalsContact O-O 3.08Å; P227-F297 HydrophobicContact CB-CE1 4.49Å; I293-F297 HydrophobicContact CG2-CE2 4.43Å; I293-F297 VanDerWaalsContact O-CD2 3.27Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å; M294-F297 PolarHBondContact O-N 2.99Å; G295-F297 PolarHBondContact O-N 3.46Å
298V92.3Very high92.4Very high11 Ų1112.8 Ų12.87%0.0677%0.068CC..THydrogen-bonded Turntrans-114.926.5179.4-64.90000111.4F28 M29 P223 F225 G295 S296 A300F28-V298 HydrophobicContact CE1-CB 4.49Å; F28-V298 HydrophobicContact CE1-CG2 4.22Å; F28-V298 HydrophobicContact CE2-CG2 4.47Å; F28-V298 HydrophobicContact CZ-CB 3.82Å; F28-V298 HydrophobicContact CZ-CG1 4.02Å; F28-V298 HydrophobicContact CZ-CG2 3.68Å; M29-V298 HydrophobicContact CB-CG2 4.37Å; M29-V298 HydrophobicContact CE-CB 4.36Å; M29-V298 HydrophobicContact CE-CG1 3.69Å; M29-V298 HydrophobicContact CE-CG2 3.69Å; P223-V298 HydrophobicContact CB-CB 4.13Å; P223-V298 VanDerWaalsContact CB-O 3.27Å; P223-V298 WeakPolarHBondContact CB-O 3.26Å; P223-V298 HydrophobicContact CG-CB 4.33Å; F225-V298 HydrophobicContact CD2-CG1 4.15Å; G295-V298 CarbonylContact O-C 3.6Å; G295-V298 WeakPolarHBondContact O-CG2 3.24Å; G295-V298 PolarHBondContact O-N 2.98Å; S296-V298 PolarHBondContact O-N 2.7Å; V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 HydrophobicContact CG2-CB 4.48Å; V298-A300 PolarHBondContact O-N 3.35Å
299S89.3Confident92.1Very high9 Ų913.7 Ų13.76%0.0637%0.072CC..THydrogen-bonded Turntrans57.537-179.8-60.70000113.5Y22 S296Y22-S299 WeakPolarHBondContact CD1-O 3.32Å; S296-S299 PolarHBondContact O-N 2.93Å
300A88.3Confident91.9Very high2 Ų213.7 Ų13.72%0.0177%0.072CC..PPolyproline II helixtrans-85.9144.1171.200000111S26 S70 G295 V298S26-A300 WeakPolarHBondContact OG-CA 3.37Å; S26-A300 WeakPolarHBondContact OG-CB 3.45Å; S70-A300 WeakPolarHBondContact CB-O 3.33Å; G295-A300 WeakPolarHBondContact O-CB 3.19Å; G295-A300 PolarHBondContact O-N 3.37Å; V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 HydrophobicContact CG2-CB 4.48Å; V298-A300 PolarHBondContact O-N 3.35Å
301Y89.5Confident91.5Very high1 Ų112 Ų120%0.0046%0.061CC..PPolyproline II helixtrans-87.5166.2160.774.8-108.4000110.1F19 S26 P47 S52 V303F19-Y301 HydrophobicContact CE1-CD1 4.28Å; F19-Y301 HydrophobicContact CE1-CE1 4.29Å; S26-Y301 PolarHBondContact OG-N 3.12Å; S26-Y301 PolarHBondContact OG-O 2.95Å; P47-Y301 HydrophobicContact CB-CE2 4.35Å; P47-Y301 WeakPolarHBondContact CB-OH 3.41Å; S52-Y301 PolarHBondContact OG-OH 2.83Å; Y301-V303 WeakPolarHBondContact O-CG1 3.41Å; Y301-V303 PolarHBondContact O-N 3.42Å
302P91.9Very high91.2Very high0 Ų012.9 Ų12.90%07%0.067CC..PPolyproline II helixtrans-49.6133.7-176.6-24.128.4000114.2M51 A66 L69 I256M51-P302 HydrophobicContact CE-CB 3.34Å; M51-P302 HydrophobicContact CE-CG 4.47Å; M51-P302 HydrophobicContact CG-CB 4.11Å; M51-P302 WeakPolarHBondContact CG-O 3.15Å; M51-P302 HydrophobicContact SD-CB 4.43Å; A66-P302 WeakPolarHBondContact O-CD 3.45Å; L69-P302 HydrophobicContact CD2-CG 4.38Å; L69-P302 HydrophobicContact CG-CG 4.08Å; I256-P302 HydrophobicContact CG2-CB 4.37Å; I256-P302 HydrophobicContact CG2-CG 4.43Å
303V91.5Very high90.9Very high4 Ų414 Ų142%0.0247%0.073CC..  trans-118.6158.9-178.3-61.30000113.1S26 G46 T291 N292 Y301S26-V303 VanDerWaalsContact CB-CG1 3.49Å; S26-V303 WeakPolarHBondContact O-CG1 3.25Å; G46-V303 WeakPolarHBondContact O-CB 3.29Å; T291-V303 HydrophobicContact CG2-CG2 3.49Å; T291-V303 VanDerWaalsContact CG2-CG2 3.49Å; N292-V303 PolarHBondContact ND2-O 3.37Å; N292-V303 WeakPolarHBondContact OD1-CG2 3.46Å; N292-V303 PolarHBondContact OD1-N 2.67Å; N292-V303 PolarHBondContact OD1-O 3.09Å; Y301-V303 WeakPolarHBondContact O-CG1 3.41Å; Y301-V303 PolarHBondContact O-N 3.42Å
304T92.2Very high90.6Very high0 Ų012.8 Ų12.80%07%0.068CC..EExtended strand (participates in β ladder)trans-148.5178.4175.7-175.50000110.8L45 G46 T48 M51 G260 E263 S264L45-T304 CarbonylContact C-O 3.59Å; L45-T304 WeakPolarHBondContact CA-O 3.38Å; G46-T304 PolarHBondContact N-O 3.07Å; G46-T304 PolarHBondContact O-N 3.05Å; G46-T304 VanDerWaalsContact O-N 3.11Å; T48-T304 HydrophobicContact CG2-CG2 3.56Å; T48-T304 WeakPolarHBondContact OG1-CG2 3.46Å; M51-T304 HydrophobicContact CB-CG2 4.33Å; G260-T304 PolarHBondContact O-OG1 3.45Å; E263-T304 HydrophobicContact CB-CG2 4.48Å; E263-T304 HydrophobicContact CG-CG2 4.36Å; E263-T304 WeakPolarHBondContact OE2-CG2 3.46Å; S264-T304 WeakPolarHBondContact CB-OG1 3.43Å; S264-T304 PolarHBondContact N-OG1 3.12Å
305G90.1Very high90.1Very high0 Ų011.1 Ų11.10%06%0.059CC..EExtended strand (participates in β ladder)trans-62.1140.1173.500000111.3T48 I267T48-G305 WeakPolarHBondContact CG2-O 3.47Å; I267-G305 VanDerWaalsContact CD1-C 3.48Å; I267-G305 WeakPolarHBondContact CD1-O 3.33Å
306S88.4Confident89.8Confident5 Ų513.9 Ų13.94%0.0358%0.076CC..  trans-116.6123.3178.6177.70000112.3N6 T44 R309 T310N6-S306 PolarHBondContact ND2-OG 3.05Å; T44-S306 PolarHBondContact O-N 3.26Å; S306-R309 VanDerWaalsContact CB-CZ 3.48Å; S306-R309 PolarHBondContact O-N 3.06Å; S306-R309 PolarHBondContact OG-NE 3.3Å; S306-T310 WeakPolarHBondContact O-CB 3.25Å; S306-T310 PolarHBondContact O-N 2.73Å; S306-T310 PolarHBondContact O-OG1 3.29Å
307F86.2Confident89.4Confident14 Ų1416.3 Ų16.36%0.06110%0.101CC..Hα-helixtrans-54.9-55.9178.7-91.4-73.9000113.5F100 A104 I108 I267 F271 R309 T310 A311 M361F100-F307 HydrophobicContact CD1-CZ 4.15Å; F100-F307 HydrophobicContact CE1-CE1 4.21Å; F100-F307 AromaticContact CE1-CE2 3.93Å; F100-F307 HydrophobicContact CE1-CE2 3.93Å; F100-F307 AromaticContact CE1-CZ 3.25Å; F100-F307 HydrophobicContact CE1-CZ 3.25Å; F100-F307 AromaticContact CE2-CE2 3.97Å; F100-F307 HydrophobicContact CE2-CE2 3.97Å; F100-F307 AromaticContact CE2-CZ 3.99Å; F100-F307 HydrophobicContact CE2-CZ 3.99Å; F100-F307 HydrophobicContact CZ-CE1 4.43Å; F100-F307 AromaticContact CZ-CE2 3.33Å; F100-F307 HydrophobicContact CZ-CE2 3.33Å; F100-F307 AromaticContact CZ-CZ 3.17Å; F100-F307 HydrophobicContact CZ-CZ 3.17Å; A104-F307 HydrophobicContact CB-CD1 4.5Å; A104-F307 HydrophobicContact CB-CD2 4.31Å; A104-F307 HydrophobicContact CB-CE1 3.95Å; A104-F307 HydrophobicContact CB-CE2 3.72Å; A104-F307 HydrophobicContact CB-CZ 3.46Å; A104-F307 VanDerWaalsContact CB-CZ 3.46Å; I108-F307 HydrophobicContact CD1-CB 3.39Å; I108-F307 HydrophobicContact CD1-CD2 4.13Å; I108-F307 HydrophobicContact CD1-CG 3.83Å; I267-F307 HydrophobicContact CD1-CD2 3.54Å; I267-F307 HydrophobicContact CD1-CE2 3.87Å; I267-F307 HydrophobicContact CD1-CG 3.99Å; I267-F307 HydrophobicContact CG1-CD1 3.99Å; I267-F307 HydrophobicContact CG1-CD2 3.5Å; I267-F307 VanDerWaalsContact CG1-CD2 3.5Å; I267-F307 HydrophobicContact CG1-CE1 3.89Å; I267-F307 HydrophobicContact CG1-CE2 3.39Å; I267-F307 HydrophobicContact CG1-CG 3.83Å; I267-F307 HydrophobicContact CG1-CZ 3.64Å; F271-F307 HydrophobicContact CE2-CD1 4.26Å; F307-R309 VanDerWaalsContact C-N 3.34Å; F307-R309 PolarHBondContact O-N 2.99Å; F307-T310 PolarHBondContact O-N 3.3Å; F307-A311 VanDerWaalsContact O-CB 3.24Å; F307-A311 WeakPolarHBondContact O-CB 3.46Å; F307-A311 PolarHBondContact O-N 2.8Å; F307-M361 HydrophobicContact CD1-CE 3.82Å; F307-M361 HydrophobicContact CE1-CE 3.84Å
308G86.4Confident89.2Confident7 Ų714.5 Ų14.57%0.07210%0.095CC..Hα-helixtrans-63.2-38.5-175.400000113.3V312G308-V312 WeakPolarHBondContact O-CG2 3.27Å; G308-V312 PolarHBondContact O-N 3.31Å
309R88.1Confident89Confident19 Ų1919 Ų197%0.07213%0.126CC..Hα-helixtrans-71.2-43.6178.3-67.9-175.7-78.3143.50.4111.4L2 S3 T44 L45 G46 P47 S306 F307 V312 N313L2-R309 HydrophobicContact CB-CG 3.76Å; L2-R309 HydrophobicContact CD1-CG 4.47Å; S3-R309 WeakPolarHBondContact OG-CD 3.14Å; T44-R309 VanDerWaalsContact OG1-C 3.24Å; T44-R309 WeakPolarHBondContact OG1-CB 3.42Å; L45-R309 PolarHBondContact O-NH1 2.91Å; G46-R309 VanDerWaalsContact CA-NH1 3.35Å; G46-R309 VanDerWaalsContact N-NH2 3.15Å; G46-R309 PolarHBondContact O-NH2 3.34Å; P47-R309 PolarHBondContact O-NH2 3.5Å; S306-R309 VanDerWaalsContact CB-CZ 3.48Å; S306-R309 PolarHBondContact O-N 3.06Å; S306-R309 PolarHBondContact OG-NE 3.3Å; F307-R309 VanDerWaalsContact C-N 3.34Å; F307-R309 PolarHBondContact O-N 2.99Å; R309-V312 PolarHBondContact O-N 3.22Å; R309-N313 WeakPolarHBondContact O-CB 3.45Å; R309-N313 PolarHBondContact O-N 2.84Å
310T91.9Very high89.1Confident0 Ų022.2 Ų22.20%015%0.145CC..Hα-helixtrans-63.5-40.9175.9-58.50000111.4D42 V43 T44 I267 F271 S306 F307 V312 N313 S314D42-T310 HydrophobicContact CB-CG2 4.17Å; D42-T310 WeakPolarHBondContact O-CG2 3.29Å; V43-T310 HydrophobicContact CG2-CG2 4.36Å; T44-T310 PolarHBondContact N-OG1 3.31Å; T44-T310 VanDerWaalsContact N-OG1 3.07Å; T44-T310 PolarHBondContact OG1-N 3.33Å; T44-T310 PolarHBondContact OG1-OG1 2.86Å; I267-T310 HydrophobicContact CG2-CG2 4.04Å; F271-T310 HydrophobicContact CB-CG2 4.44Å; F271-T310 HydrophobicContact CD1-CG2 4.01Å; F271-T310 HydrophobicContact CD2-CG2 3.27Å; F271-T310 HydrophobicContact CE1-CG2 4.07Å; F271-T310 HydrophobicContact CE2-CG2 3.34Å; F271-T310 HydrophobicContact CG-CG2 3.63Å; F271-T310 HydrophobicContact CZ-CG2 3.75Å; S306-T310 WeakPolarHBondContact O-CB 3.25Å; S306-T310 PolarHBondContact O-N 2.73Å; S306-T310 PolarHBondContact O-OG1 3.29Å; F307-T310 PolarHBondContact O-N 3.3Å; T310-V312 PolarHBondContact O-N 2.9Å; T310-N313 PolarHBondContact O-N 3.11Å; T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.32Å; T310-S314 PolarHBondContact O-N 3.03Å
311A89.8Confident89.3Confident1 Ų123.8 Ų23.81%0.00816%0.155CC..Hα-helixtrans-60.7-47.2176.700000111.8F271 F307 S314 Q315 A357 V358 M361F271-A311 HydrophobicContact CE1-CB 4.38Å; F271-A311 HydrophobicContact CZ-CB 3.87Å; F307-A311 VanDerWaalsContact O-CB 3.24Å; F307-A311 WeakPolarHBondContact O-CB 3.46Å; F307-A311 PolarHBondContact O-N 2.8Å; A311-S314 PolarHBondContact O-N 3.1Å; A311-Q315 WeakPolarHBondContact O-CB 3.45Å; A311-Q315 WeakPolarHBondContact O-CG 3.37Å; A311-Q315 PolarHBondContact O-N 3.48Å; A311-A357 HydrophobicContact CB-CB 3.97Å; A311-V358 HydrophobicContact CB-CG1 4.34Å; A311-M361 HydrophobicContact CB-SD 4.1Å
312V89.4Confident89.3Confident21 Ų2125.9 Ų25.913%0.12717%0.172CC..Hα-helixtrans-65-43.4177.1171.30000111.3L2 G308 R309 T310 S314 Q315 T316 V353 A357L2-V312 HydrophobicContact CD1-CB 3.96Å; L2-V312 HydrophobicContact CD1-CG1 4.21Å; L2-V312 HydrophobicContact CD1-CG2 3.73Å; G308-V312 WeakPolarHBondContact O-CG2 3.27Å; G308-V312 PolarHBondContact O-N 3.31Å; R309-V312 PolarHBondContact O-N 3.22Å; T310-V312 PolarHBondContact O-N 2.9Å; V312-S314 VanDerWaalsContact C-N 3.34Å; V312-S314 PolarHBondContact O-N 3.23Å; V312-Q315 PolarHBondContact O-N 3.02Å; V312-T316 WeakPolarHBondContact O-CG2 3.25Å; V312-T316 PolarHBondContact O-N 2.97Å; V312-T316 VanDerWaalsContact O-N 3.08Å; V312-T316 PolarHBondContact O-OG1 2.93Å; V312-V353 HydrophobicContact CG2-CG1 4.15Å; V312-A357 HydrophobicContact CG2-CB 3.49Å; V312-A357 VanDerWaalsContact CG2-CB 3.49Å
313N90.6Very high89.1Confident22 Ų2226.9 Ų26.912%0.11818%0.183CC..Hα-helixtrans-60.7-42.9177.3-168.341.3000111.9D42 T44 R309 T310 T316D42-N313 PolarHBondContact O-ND2 3.29Å; T44-N313 HydrophobicContact CG2-CB 4.01Å; R309-N313 WeakPolarHBondContact O-CB 3.45Å; R309-N313 PolarHBondContact O-N 2.84Å; T310-N313 PolarHBondContact O-N 3.11Å; N313-T316 WeakPolarHBondContact CA-OG1 2.99Å; N313-T316 PolarHBondContact O-N 3.02Å; N313-T316 PolarHBondContact O-OG1 3.48Å
314S89.7Confident89Confident17 Ų1727.3 Ų27.312%0.11919%0.188CC..Hα-helixtrans-65.8-43.3177.3-159.70000112.2D42 N275 T310 A311 V312 T316 G317D42-S314 VanDerWaalsContact OD1-CA 3.27Å; D42-S314 WeakPolarHBondContact OD1-CA 3.47Å; D42-S314 WeakPolarHBondContact OD1-CB 3.34Å; D42-S314 PolarHBondContact OD1-OG 3.02Å; N275-S314 PolarHBondContact ND2-OG 3.24Å; T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.32Å; T310-S314 PolarHBondContact O-N 3.03Å; A311-S314 PolarHBondContact O-N 3.1Å; V312-S314 VanDerWaalsContact C-N 3.34Å; V312-S314 PolarHBondContact O-N 3.23Å; S314-T316 PolarHBondContact O-N 3.46Å; S314-G317 PolarHBondContact O-N 3.11Å
315Q86.1Confident89.1Confident39 Ų3930.8 Ų30.818%0.18221%0.206CC..Hα-helixtrans-64.5-26.2176.7-76-164.75.200114.1A311 V312 G317 C356 A357A311-Q315 WeakPolarHBondContact O-CB 3.45Å; A311-Q315 WeakPolarHBondContact O-CG 3.37Å; A311-Q315 PolarHBondContact O-N 3.48Å; V312-Q315 PolarHBondContact O-N 3.02Å; Q315-G317 PolarHBondContact O-N 3.29Å; Q315-C356 PolarHBondContact NE2-O 3.32Å; Q315-A357 PolarHBondContact NE2-O 3.4Å
316T85.7Confident89.1Confident61 Ų6135 Ų3537%0.37423%0.231SC..THydrogen-bonded Turntrans-73.7-7.5173.449.10000113.3V312 N313 S314V312-T316 WeakPolarHBondContact O-CG2 3.25Å; V312-T316 PolarHBondContact O-N 2.97Å; V312-T316 VanDerWaalsContact O-N 3.08Å; V312-T316 PolarHBondContact O-OG1 2.93Å; N313-T316 WeakPolarHBondContact CA-OG1 2.99Å; N313-T316 PolarHBondContact O-N 3.02Å; N313-T316 PolarHBondContact O-OG1 3.48Å; S314-T316 PolarHBondContact O-N 3.46Å
317G85.4Confident89.1Confident51 Ų5137.6 Ų37.653%0.52625%0.247SC..THydrogen-bonded Turntrans81.337.3176.600000112.9S314 Q315 C319S314-G317 PolarHBondContact O-N 3.11Å; Q315-G317 PolarHBondContact O-N 3.29Å; G317-C319 PolarHBondContact O-N 2.9Å
318V89.8Confident89.4Confident20 Ų2037 Ų3712%0.12125%0.245CC..  trans-58.7129.1177.468.30000111.1K41 D42 T320K41-V318 PolarHBondContact NZ-O 2.76Å; K41-V318 VanDerWaalsContact O-CG1 3.3Å; K41-V318 WeakPolarHBondContact O-CG1 3.35Å; D42-V318 HydrophobicContact CB-CG1 4.49Å; D42-V318 WeakPolarHBondContact OD1-CG1 3.43Å; V318-T320 VanDerWaalsContact CG2-O 3.31Å; V318-T320 WeakPolarHBondContact CG2-O 3.28Å
319C89.3Confident89.7Confident106 Ų10639.7 Ų39.772%0.71626%0.26SS*.  trans-95.4-33.8-177.6-61.10000112.5K41 G317K41-C319 WeakPolarHBondContact CD-O 3.35Å; G317-C319 PolarHBondContact O-N 2.9Å
320T91.8Very high89.7Confident77 Ų7743.3 Ų43.347%0.47228%0.28SS..SBendtrans-140.5156.2-173.563.30000111.6V318 A322 G323V318-T320 VanDerWaalsContact CG2-O 3.31Å; V318-T320 WeakPolarHBondContact CG2-O 3.28Å; T320-A322 PolarHBondContact O-N 3.42Å; T320-G323 PolarHBondContact O-N 2.78Å
321P91Very high89.5Confident34 Ų3444.7 Ų44.722%0.22129%0.288CS..THydrogen-bonded Turntrans-54.9-22.8173.3-25.934.5000113.9T35 G323 G324T35-P321 PolarHBondContact OG1-O 3.44Å; T35-P321 VanDerWaalsContact OG1-O 3.07Å; P321-G323 PolarHBondContact O-N 2.88Å; P321-G324 PolarHBondContact O-N 3.41Å
322A90.2Very high89.5Confident45 Ų4546.7 Ų46.737%0.37230%0.298SS..THydrogen-bonded Turntrans-59.4-18.6178.800000114.7T35 T320 G324 I325T35-A322 HydrophobicContact CG2-CB 4.1Å; T320-A322 PolarHBondContact O-N 3.42Å; A322-G324 PolarHBondContact O-N 3.42Å; A322-I325 PolarHBondContact O-N 2.95Å
323G87.9Confident89.5Confident22 Ų2250 Ų5023%0.22732%0.315CS..Hα-helixtrans-55.1-29.1167.100000112.6T320 P321 I325 V326 T327T320-G323 PolarHBondContact O-N 2.78Å; P321-G323 PolarHBondContact O-N 2.88Å; G323-I325 PolarHBondContact O-N 2.85Å; G323-V326 PolarHBondContact O-N 3.2Å; G323-T327 WeakPolarHBondContact O-CG2 2.86Å; G323-T327 PolarHBondContact O-N 2.94Å
324G90Very high89.3Confident12 Ų1249.7 Ų49.712%0.12431%0.314CS..Hα-helixtrans-54.3-46.1174.300000113.3P321 A322 V326 T327 S328P321-G324 PolarHBondContact O-N 3.41Å; A322-G324 PolarHBondContact O-N 3.42Å; G324-V326 PolarHBondContact O-N 2.99Å; G324-T327 WeakPolarHBondContact CA-OG1 3.11Å; G324-T327 PolarHBondContact O-N 3.42Å; G324-T327 PolarHBondContact O-OG1 3.06Å; G324-S328 WeakPolarHBondContact O-CB 3.29Å; G324-S328 PolarHBondContact O-N 2.88Å; G324-S328 PolarHBondContact O-OG 3.4Å; G324-S328 VanDerWaalsContact O-OG 3.14Å
325I93Very high88.9Confident73 Ų7349.1 Ų49.137%0.37431%0.31SS..Hα-helixtrans-56.8-49.8178.4-65.2175.8000110.7F32 T35 A322 G323 T327 S328 V329F32-I325 HydrophobicContact CD1-CG1 4.36Å; F32-I325 HydrophobicContact CD1-CG2 4.49Å; F32-I325 HydrophobicContact CE1-CG2 4.14Å; T35-I325 HydrophobicContact CG2-CD1 3.68Å; T35-I325 HydrophobicContact CG2-CG1 3.91Å; A322-I325 PolarHBondContact O-N 2.95Å; G323-I325 PolarHBondContact O-N 2.85Å; I325-T327 VanDerWaalsContact C-N 3.32Å; I325-T327 PolarHBondContact O-N 3.23Å; I325-S328 PolarHBondContact O-N 3.44Å; I325-V329 HydrophobicContact CG2-CG2 4.37Å; I325-V329 WeakPolarHBondContact O-CG2 3.49Å; I325-V329 PolarHBondContact O-N 3.49Å
326V91Very high88.9Confident89 Ų8948.6 Ų48.654%0.53931%0.312SS..Hα-helixtrans-61.1-45-179.1179.60000110G323 G324 S328 V329 I330G323-V326 PolarHBondContact O-N 3.2Å; G324-V326 PolarHBondContact O-N 2.99Å; V326-S328 PolarHBondContact O-N 3.4Å; V326-V329 PolarHBondContact O-N 2.82Å; V326-I330 HydrophobicContact CG1-CD1 3.83Å; V326-I330 WeakPolarHBondContact O-CB 3.43Å; V326-I330 VanDerWaalsContact O-CG1 3.26Å; V326-I330 WeakPolarHBondContact O-CG1 3.36Å; V326-I330 PolarHBondContact O-N 3.28Å
327T88.8Confident89Confident60 Ų6052.9 Ų52.937%0.36833%0.326SS..Hα-helixtrans-62.4-41.3177.362.40000112.5G323 G324 I325 I330 V331G323-T327 WeakPolarHBondContact O-CG2 2.86Å; G323-T327 PolarHBondContact O-N 2.94Å; G324-T327 WeakPolarHBondContact CA-OG1 3.11Å; G324-T327 PolarHBondContact O-N 3.42Å; G324-T327 PolarHBondContact O-OG1 3.06Å; I325-T327 VanDerWaalsContact C-N 3.32Å; I325-T327 PolarHBondContact O-N 3.23Å; T327-I330 PolarHBondContact O-N 3.07Å; T327-V331 VanDerWaalsContact O-CG2 3.27Å; T327-V331 WeakPolarHBondContact O-CG2 3.5Å; T327-V331 PolarHBondContact O-N 2.95Å
328S91.1Very high88.9Confident2 Ų254.4 Ų54.41%0.01432%0.322CS..Hα-helixtrans-67-42.2179.2-670000112.7F28 G31 G324 I325 V326 V331 L332F28-S328 WeakPolarHBondContact O-CB 3.33Å; F28-S328 PolarHBondContact O-OG 3.46Å; G31-S328 WeakPolarHBondContact CA-OG 3.32Å; G324-S328 WeakPolarHBondContact O-CB 3.29Å; G324-S328 PolarHBondContact O-N 2.88Å; G324-S328 PolarHBondContact O-OG 3.4Å; G324-S328 VanDerWaalsContact O-OG 3.14Å; I325-S328 PolarHBondContact O-N 3.44Å; V326-S328 PolarHBondContact O-N 3.4Å; S328-V331 PolarHBondContact O-N 3.31Å; S328-L332 PolarHBondContact O-N 2.96Å
329V92.3Very high88.6Confident63 Ų6353.8 Ų53.838%0.38232%0.317SS..Hα-helixtrans-62.1-45174.9171.80000110.5F32 I325 V326 V331 L332 L333F32-V329 HydrophobicContact CE1-CG2 4.11Å; F32-V329 HydrophobicContact CZ-CG2 4Å; I325-V329 HydrophobicContact CG2-CG2 4.37Å; I325-V329 WeakPolarHBondContact O-CG2 3.49Å; I325-V329 PolarHBondContact O-N 3.49Å; V326-V329 PolarHBondContact O-N 2.82Å; V329-V331 VanDerWaalsContact C-N 3.31Å; V329-V331 PolarHBondContact O-N 2.9Å; V329-L332 PolarHBondContact O-N 3.46Å; V329-L333 HydrophobicContact CG1-CD1 4.01Å; V329-L333 HydrophobicContact CG1-CG 4.42Å; V329-L333 WeakPolarHBondContact O-CB 3.42Å; V329-L333 WeakPolarHBondContact O-CG 3.16Å; V329-L333 PolarHBondContact O-N 3.37Å
330I89.4Confident88.2Confident95 Ų9552 Ų5249%0.48731%0.305SS..Hα-helixtrans-62.2-39.9176.5-68.8168.8000111V326 T327 S334V326-I330 HydrophobicContact CG1-CD1 3.83Å; V326-I330 WeakPolarHBondContact O-CB 3.43Å; V326-I330 VanDerWaalsContact O-CG1 3.26Å; V326-I330 WeakPolarHBondContact O-CG1 3.36Å; V326-I330 PolarHBondContact O-N 3.28Å; T327-I330 PolarHBondContact O-N 3.07Å; I330-S334 VanDerWaalsContact O-CB 3.29Å; I330-S334 WeakPolarHBondContact O-CB 3.32Å; I330-S334 PolarHBondContact O-N 3.43Å; I330-S334 PolarHBondContact O-OG 3.13Å
331V87.7Confident87.8Confident29 Ų2950.9 Ų50.918%0.17630%0.303CS..Hα-helixtrans-62.1-47.7175.41700000110.7A27 F28 T327 S328 V329 S334 L335A27-V331 HydrophobicContact CB-CG1 4.31Å; F28-V331 HydrophobicContact CB-CB 4.24Å; F28-V331 HydrophobicContact CB-CG1 3.95Å; T327-V331 VanDerWaalsContact O-CG2 3.27Å; T327-V331 WeakPolarHBondContact O-CG2 3.5Å; T327-V331 PolarHBondContact O-N 2.95Å; S328-V331 PolarHBondContact O-N 3.31Å; V329-V331 VanDerWaalsContact C-N 3.31Å; V329-V331 PolarHBondContact O-N 2.9Å; V331-S334 WeakPolarHBondContact O-CA 3.25Å; V331-S334 WeakPolarHBondContact O-CB 3.4Å; V331-S334 PolarHBondContact O-N 3.41Å; V331-S334 VanDerWaalsContact O-N 3.09Å; V331-L335 HydrophobicContact CG1-CD1 4.33Å; V331-L335 HydrophobicContact CG1-CG 4.46Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.16Å
332L89Confident87.4Confident42 Ų4249.9 Ų49.922%0.2230%0.296CS..Hα-helixtrans-60.1-47177.6-75.8173.2000112.5F28 F32 L222 S328 V329 S334 L335 A336F28-L332 HydrophobicContact CB-CG 4.27Å; F28-L332 HydrophobicContact CD1-CD2 3.9Å; F28-L332 HydrophobicContact CD2-CD1 4.01Å; F28-L332 HydrophobicContact CD2-CD2 3.84Å; F28-L332 HydrophobicContact CD2-CG 3.96Å; F28-L332 HydrophobicContact CE1-CD2 4.04Å; F28-L332 HydrophobicContact CE2-CD1 4.37Å; F28-L332 HydrophobicContact CE2-CD2 3.96Å; F28-L332 HydrophobicContact CE2-CG 4.47Å; F28-L332 HydrophobicContact CG-CD2 3.8Å; F28-L332 HydrophobicContact CG-CG 3.98Å; F28-L332 HydrophobicContact CZ-CD2 4.05Å; F32-L332 HydrophobicContact CE2-CD1 3.89Å; F32-L332 HydrophobicContact CZ-CD1 4.12Å; L222-L332 HydrophobicContact CD2-CD2 4.12Å; S328-L332 PolarHBondContact O-N 2.96Å; V329-L332 PolarHBondContact O-N 3.46Å; L332-S334 PolarHBondContact O-N 3.37Å; L332-L335 PolarHBondContact O-N 3.2Å; L332-A336 PolarHBondContact O-N 3Å
333L89.4Confident87Confident92 Ų9250.4 Ų50.448%0.48229%0.288SS..Hα-helixtrans-59.7-36.5174.3-71.9173.3000111.4V329 A336 F337V329-L333 HydrophobicContact CG1-CD1 4.01Å; V329-L333 HydrophobicContact CG1-CG 4.42Å; V329-L333 WeakPolarHBondContact O-CB 3.42Å; V329-L333 WeakPolarHBondContact O-CG 3.16Å; V329-L333 PolarHBondContact O-N 3.37Å; L333-A336 PolarHBondContact O-N 3.29Å; L333-F337 HydrophobicContact CD2-CD2 4.29Å; L333-F337 HydrophobicContact CD2-CE2 4.09Å; L333-F337 WeakPolarHBondContact O-CD2 3.28Å; L333-F337 PolarHBondContact O-N 2.89Å
334S85.8Confident86.9Confident15 Ų1552.3 Ų52.311%0.10529%0.289CS..Iπ-helixtrans-68.6-40.3178.8-58.30000112.6I330 V331 L332 A336 L338 M339I330-S334 VanDerWaalsContact O-CB 3.29Å; I330-S334 WeakPolarHBondContact O-CB 3.32Å; I330-S334 PolarHBondContact O-N 3.43Å; I330-S334 PolarHBondContact O-OG 3.13Å; V331-S334 WeakPolarHBondContact O-CA 3.25Å; V331-S334 WeakPolarHBondContact O-CB 3.4Å; V331-S334 PolarHBondContact O-N 3.41Å; V331-S334 VanDerWaalsContact O-N 3.09Å; L332-S334 PolarHBondContact O-N 3.37Å; S334-A336 VanDerWaalsContact C-N 3.3Å; S334-A336 PolarHBondContact O-N 3.25Å; S334-L338 PolarHBondContact O-N 3.46Å; S334-M339 PolarHBondContact O-N 3.3Å
335L83.1Confident86.8Confident4 Ų452 Ų522%0.02128%0.284CS..Iπ-helixtrans-64.4-35.8175.2-64.9177000112L24 Y25 V331 L332 M339L24-L335 HydrophobicContact CB-CD2 3.88Å; L24-L335 HydrophobicContact CD2-CD2 3.96Å; L24-L335 HydrophobicContact CG-CD2 4.34Å; Y25-L335 HydrophobicContact CD1-CD1 4.24Å; V331-L335 HydrophobicContact CG1-CD1 4.33Å; V331-L335 HydrophobicContact CG1-CG 4.46Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.16Å; L332-L335 PolarHBondContact O-N 3.2Å; L335-M339 HydrophobicContact CD2-CE 3.3Å; L335-M339 HydrophobicContact CD2-SD 4.09Å; L335-M339 HydrophobicContact CG-CE 4.48Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å
336A85.8Confident86.7Confident29 Ų2948.5 Ų48.524%0.2427%0.266CS..Iπ-helixtrans-74.8-42.5179.200000113.2L222 L332 L333 S334L222-A336 HydrophobicContact CD2-CB 4.17Å; L222-A336 HydrophobicContact CG-CB 4.27Å; L332-A336 PolarHBondContact O-N 3Å; L333-A336 PolarHBondContact O-N 3.29Å; S334-A336 VanDerWaalsContact C-N 3.3Å; S334-A336 PolarHBondContact O-N 3.25Å
337F87Confident86.6Confident151 Ų15145.5 Ų45.566%0.66225%0.246SC*.Iπ-helixtrans-127.1-32.1-166.4-54.5-69.4000115.7L333L333-F337 HydrophobicContact CD2-CD2 4.29Å; L333-F337 HydrophobicContact CD2-CE2 4.09Å; L333-F337 WeakPolarHBondContact O-CD2 3.28Å; L333-F337 PolarHBondContact O-N 2.89Å
338L84.1Confident86.7Confident83 Ų8342.7 Ų42.744%0.43523%0.229SC..Iπ-helixtrans-95.40.2-170.5-89.459000114.7S334 P340 A341 F342S334-L338 PolarHBondContact O-N 3.46Å; L338-P340 VanDerWaalsContact C-CD 3.41Å; L338-P340 VanDerWaalsContact C-N 3.35Å; L338-A341 WeakPolarHBondContact O-CB 3.43Å; L338-A341 PolarHBondContact O-N 3.47Å; L338-F342 HydrophobicContact CB-CE1 4.15Å; L338-F342 HydrophobicContact CB-CE2 4.5Å; L338-F342 HydrophobicContact CB-CZ 4.11Å; L338-F342 HydrophobicContact CD2-CE1 4.35Å; L338-F342 HydrophobicContact CD2-CZ 4.44Å; L338-F342 PolarHBondContact O-N 3.08Å; L338-F342 VanDerWaalsContact O-N 3.14Å
339M81.9Confident86.7Confident6 Ų642.6 Ų42.63%0.0323%0.228CC..Hα-helixtrans-55.1-38.7179.7-63.3-61.6-12600114.7L24 T218 T219 Q220 S334 L335 A341 F342 Y343L24-M339 HydrophobicContact CD1-CE 4.07Å; T218-M339 HydrophobicContact CG2-CE 3.37Å; T218-M339 HydrophobicContact CG2-SD 4.05Å; T219-M339 VanDerWaalsContact O-CE 3.32Å; T219-M339 WeakPolarHBondContact O-CE 3.22Å; Q220-M339 HydrophobicContact CG-CB 3.67Å; Q220-M339 HydrophobicContact CG-CG 4.06Å; S334-M339 PolarHBondContact O-N 3.3Å; L335-M339 HydrophobicContact CD2-CE 3.3Å; L335-M339 HydrophobicContact CD2-SD 4.09Å; L335-M339 HydrophobicContact CG-CE 4.48Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å; M339-A341 VanDerWaalsContact C-N 3.31Å; M339-A341 PolarHBondContact O-N 3.15Å; M339-F342 PolarHBondContact O-N 3.46Å; M339-F342 VanDerWaalsContact O-N 3.17Å; M339-F342 HydrophobicContact SD-CD2 4.14Å; M339-Y343 PolarHBondContact O-N 3.47Å
340P82.6Confident86.6Confident70 Ų7040 Ų4046%0.45521%0.212SC..Hα-helixtrans-61.4-38.8174.6-23.735.8000112.8Q220 L338 F342 Y343Q220-P340 VanDerWaalsContact NE2-CD 3.3Å; L338-P340 VanDerWaalsContact C-CD 3.41Å; L338-P340 VanDerWaalsContact C-N 3.35Å; P340-F342 VanDerWaalsContact C-N 3.26Å; P340-F342 PolarHBondContact O-N 3.37Å; P340-Y343 VanDerWaalsContact O-CB 3.27Å; P340-Y343 WeakPolarHBondContact O-CB 3.37Å; P340-Y343 PolarHBondContact O-N 3.44Å
341A83.1Confident86.6Confident53 Ų5335.4 Ų35.444%0.43819%0.189SC..Hα-helixtrans-67.9-30.3178.100000111.6L338 M339 Y343L338-A341 WeakPolarHBondContact O-CB 3.43Å; L338-A341 PolarHBondContact O-N 3.47Å; M339-A341 VanDerWaalsContact C-N 3.31Å; M339-A341 PolarHBondContact O-N 3.15Å; A341-Y343 VanDerWaalsContact C-N 3.27Å; A341-Y343 PolarHBondContact O-N 3.07Å
342F82.2Confident86.8Confident13 Ų1334 Ų346%0.05718%0.18CC..Hα-helixtrans-73.2-17179.6-67.9-8.8000114.3M1 I4 L338 M339 P340 Y344 I345M1-F342 HydrophobicContact CE-CD1 4.23Å; M1-F342 HydrophobicContact CE-CE1 3.66Å; M1-F342 HydrophobicContact CE-CZ 4.45Å; M1-F342 HydrophobicContact CG-CE1 4.26Å; M1-F342 HydrophobicContact CG-CZ 4.32Å; I4-F342 HydrophobicContact CD1-CB 4.43Å; I4-F342 HydrophobicContact CD1-CD2 3.14Å; I4-F342 HydrophobicContact CD1-CE2 3.4Å; I4-F342 VanDerWaalsContact CD1-CE2 3.4Å; I4-F342 HydrophobicContact CD1-CG 3.98Å; I4-F342 HydrophobicContact CD1-CZ 4.42Å; L338-F342 HydrophobicContact CB-CE1 4.15Å; L338-F342 HydrophobicContact CB-CE2 4.5Å; L338-F342 HydrophobicContact CB-CZ 4.11Å; L338-F342 HydrophobicContact CD2-CE1 4.35Å; L338-F342 HydrophobicContact CD2-CZ 4.44Å; L338-F342 PolarHBondContact O-N 3.08Å; L338-F342 VanDerWaalsContact O-N 3.14Å; M339-F342 PolarHBondContact O-N 3.46Å; M339-F342 VanDerWaalsContact O-N 3.17Å; M339-F342 HydrophobicContact SD-CD2 4.14Å; P340-F342 VanDerWaalsContact C-N 3.26Å; P340-F342 PolarHBondContact O-N 3.37Å; F342-Y344 VanDerWaalsContact C-N 3.26Å; F342-Y344 PolarHBondContact O-N 3.16Å; F342-I345 HydrophobicContact CB-CD1 3.85Å; F342-I345 HydrophobicContact CD1-CD1 3.48Å; F342-I345 VanDerWaalsContact CD1-CD1 3.48Å; F342-I345 HydrophobicContact CD1-CG1 4.48Å; F342-I345 HydrophobicContact CE1-CD1 4.22Å; F342-I345 HydrophobicContact CG-CD1 3.82Å; F342-I345 PolarHBondContact O-N 3.39Å
343Y82.4Confident87Confident56 Ų5632.3 Ų32.322%0.2217%0.172CC..THydrogen-bonded Turntrans-53-45.6175179.5-95.5000112.1I214 G216 H217 M339 P340 A341 I345I214-Y343 HydrophobicContact CD1-CD1 4.04Å; I214-Y343 HydrophobicContact CD1-CE1 3.44Å; I214-Y343 VanDerWaalsContact CD1-CE1 3.44Å; I214-Y343 HydrophobicContact CD1-CE2 4.47Å; G216-Y343 PolarHBondContact N-O 3.11Å; H217-Y343 AromaticContact CD2-CE2 3.58Å; H217-Y343 AromaticContact CE1-CD2 3.89Å; H217-Y343 AromaticContact CE1-CE2 3.47Å; H217-Y343 VanDerWaalsContact CE1-CE2 3.47Å; H217-Y343 WeakPolarHBondContact CE1-CE2 3.42Å; H217-Y343 AromaticContact CG-CD2 3.98Å; H217-Y343 AromaticContact CG-CE2 3.71Å; H217-Y343 AromaticContact ND1-CD2 3.72Å; H217-Y343 AromaticContact ND1-CE2 3.65Å; H217-Y343 AromaticContact NE2-CE2 3.41Å; H217-Y343 WeakPolarHBondContact NE2-CE2 3.18Å; M339-Y343 PolarHBondContact O-N 3.47Å; P340-Y343 VanDerWaalsContact O-CB 3.27Å; P340-Y343 WeakPolarHBondContact O-CB 3.37Å; P340-Y343 PolarHBondContact O-N 3.44Å; A341-Y343 VanDerWaalsContact C-N 3.27Å; A341-Y343 PolarHBondContact O-N 3.07Å; Y343-I345 VanDerWaalsContact C-N 3.3Å; Y343-I345 PolarHBondContact O-N 3.22Å
344Y86.2Confident87Confident62 Ų6228.1 Ų28.124%0.24315%0.149CC..THydrogen-bonded Turntrans-830.4-173.2-61.8-79.2000114.2F202 D205 F342 P346F202-Y344 HydrophobicContact CB-CD1 4.38Å; F202-Y344 HydrophobicContact CB-CG 4.29Å; F202-Y344 HydrophobicContact CD2-CD1 4.02Å; F202-Y344 AromaticContact CD2-CD2 3.88Å; F202-Y344 HydrophobicContact CD2-CD2 3.88Å; F202-Y344 AromaticContact CD2-CE1 3.87Å; F202-Y344 HydrophobicContact CD2-CE1 3.87Å; F202-Y344 AromaticContact CD2-CE2 3.73Å; F202-Y344 HydrophobicContact CD2-CE2 3.73Å; F202-Y344 HydrophobicContact CD2-CG 4.02Å; F202-Y344 AromaticContact CD2-CZ 3.73Å; F202-Y344 HydrophobicContact CE2-CE1 4.49Å; F202-Y344 HydrophobicContact CE2-CE2 4.07Å; D205-Y344 HydrophobicContact CB-CD1 4.38Å; D205-Y344 HydrophobicContact CB-CE1 4.15Å; D205-Y344 WeakPolarHBondContact OD2-CE1 3.47Å; F342-Y344 VanDerWaalsContact C-N 3.26Å; F342-Y344 PolarHBondContact O-N 3.16Å; Y344-P346 WeakPolarHBondContact O-CD 3.41Å
345I87.8Confident87.3Confident4 Ų429 Ų292%0.02115%0.153CC..  trans-67120.2-177.8-65.1171.7000109.4M1 V194 T198 T215 F342 Y343 L350M1-I345 HydrophobicContact CE-CD1 3.88Å; M1-I345 HydrophobicContact CG-CD1 3.98Å; M1-I345 HydrophobicContact SD-CD1 4.23Å; V194-I345 HydrophobicContact CG1-CG2 4.12Å; T198-I345 HydrophobicContact CG2-CG1 4.15Å; T215-I345 PolarHBondContact N-O 2.97Å; T215-I345 PolarHBondContact OG1-O 3.31Å; F342-I345 HydrophobicContact CB-CD1 3.85Å; F342-I345 HydrophobicContact CD1-CD1 3.48Å; F342-I345 VanDerWaalsContact CD1-CD1 3.48Å; F342-I345 HydrophobicContact CD1-CG1 4.48Å; F342-I345 HydrophobicContact CE1-CD1 4.22Å; F342-I345 HydrophobicContact CG-CD1 3.82Å; F342-I345 PolarHBondContact O-N 3.39Å; Y343-I345 VanDerWaalsContact C-N 3.3Å; Y343-I345 PolarHBondContact O-N 3.22Å; I345-L350 HydrophobicContact CG2-CD1 3.79Å; I345-L350 HydrophobicContact CG2-CD2 4.19Å; I345-L350 HydrophobicContact CG2-CG 3.86Å
346P90.4Very high87.7Confident0 Ų029.4 Ų29.40%016%0.156CC..BIsolated β-bridgetrans-72136176.5-21.737.9000111.2L147 A197 A201 Y344 A348 S349L147-P346 HydrophobicContact CD2-CB 3.57Å; L147-P346 HydrophobicContact CD2-CG 3.73Å; A197-P346 HydrophobicContact CB-CG 4.42Å; A201-P346 HydrophobicContact CB-CG 3.53Å; Y344-P346 WeakPolarHBondContact O-CD 3.41Å; P346-A348 PolarHBondContact O-N 3.3Å; P346-S349 PolarHBondContact O-N 2.86Å; P346-S349 PolarHBondContact O-OG 3.49Å
347K88.3Confident87.8Confident27 Ų2728.1 Ų28.112%0.11715%0.145CC..Hα-helixtrans-64.4-30.4177.1-65.1-173.6-169.61760112.5N115 T213 I214 S349 L350 A351N115-K347 HydrophobicContact CB-CB 4.47Å; T213-K347 HydrophobicContact CG2-CD 3.88Å; T213-K347 HydrophobicContact CG2-CG 4.42Å; T213-K347 PolarHBondContact O-N 3.32Å; I214-K347 WeakPolarHBondContact O-CE 3.48Å; K347-S349 PolarHBondContact O-N 2.97Å; K347-L350 PolarHBondContact O-N 2.91Å; K347-A351 WeakPolarHBondContact O-CB 3.38Å; K347-A351 PolarHBondContact O-N 3.49Å
348A90.9Very high88Confident0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-62.7-38.8178.400000113.1N115 D144 P346 A351 A352N115-A348 WeakPolarHBondContact O-CA 3.35Å; D144-A348 HydrophobicContact CB-CB 4.36Å; D144-A348 WeakPolarHBondContact O-CB 3.47Å; P346-A348 PolarHBondContact O-N 3.3Å; A348-A351 VanDerWaalsContact O-CB 3.31Å; A348-A351 WeakPolarHBondContact O-CB 3.33Å; A348-A351 PolarHBondContact O-N 3.29Å; A348-A352 PolarHBondContact O-N 3.42Å
349S91.8Very high88.2Confident0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-69.4-40.9179.269.10000111.7P346 K347 A351 A352 V353P346-S349 PolarHBondContact O-N 2.86Å; P346-S349 PolarHBondContact O-OG 3.49Å; K347-S349 PolarHBondContact O-N 2.97Å; S349-A351 VanDerWaalsContact C-N 3.28Å; S349-A351 PolarHBondContact O-N 2.96Å; S349-A352 PolarHBondContact O-N 3.38Å; S349-V353 WeakPolarHBondContact O-CG2 3.38Å; S349-V353 PolarHBondContact O-N 3.31Å; S349-V353 VanDerWaalsContact O-N 3.12Å
350L89.2Confident88.5Confident8 Ų822.3 Ų22.34%0.04213%0.133CC..Hα-helixtrans-61.4-39.6172.2-63.3174.1000110.7M1 R5 V194 I345 K347 V353 I354M1-L350 HydrophobicContact CB-CD2 4.14Å; R5-L350 HydrophobicContact CB-CD1 4.27Å; R5-L350 PolarHBondContact NH1-O 2.97Å; V194-L350 HydrophobicContact CG1-CD2 4.29Å; V194-L350 HydrophobicContact CG2-CD2 4.23Å; I345-L350 HydrophobicContact CG2-CD1 3.79Å; I345-L350 HydrophobicContact CG2-CD2 4.19Å; I345-L350 HydrophobicContact CG2-CG 3.86Å; K347-L350 PolarHBondContact O-N 2.91Å; L350-V353 PolarHBondContact O-N 3.08Å; L350-I354 WeakPolarHBondContact O-CG1 2.88Å; L350-I354 PolarHBondContact O-N 3.33Å
351A89.9Confident88.7Confident0 Ų019.5 Ų19.50%011%0.114CC..Hα-helixtrans-59.1-48.6177.900000111.5Q112 N115 I116 K347 A348 S349 V353 I354 I355Q112-A351 HydrophobicContact CB-CB 4.08Å; N115-A351 HydrophobicContact CB-CB 3.74Å; I116-A351 HydrophobicContact CD1-CB 4.42Å; I116-A351 HydrophobicContact CG1-CB 3.68Å; K347-A351 WeakPolarHBondContact O-CB 3.38Å; K347-A351 PolarHBondContact O-N 3.49Å; A348-A351 VanDerWaalsContact O-CB 3.31Å; A348-A351 WeakPolarHBondContact O-CB 3.33Å; A348-A351 PolarHBondContact O-N 3.29Å; S349-A351 VanDerWaalsContact C-N 3.28Å; S349-A351 PolarHBondContact O-N 2.96Å; A351-V353 VanDerWaalsContact C-N 3.34Å; A351-V353 PolarHBondContact O-N 3.08Å; A351-I354 PolarHBondContact O-N 2.88Å; A351-I355 WeakPolarHBondContact O-CG1 3.27Å; A351-I355 PolarHBondContact O-N 3.23Å
352A93Very high89Confident0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-57.9-44.2175.300000112.2C151 L152 L155 A348 S349 I354 I355 C356C151-A352 HydrophobicContact CB-CB 3.75Å; L152-A352 HydrophobicContact CB-CB 4.13Å; L152-A352 HydrophobicContact CD1-CB 4.31Å; L155-A352 HydrophobicContact CD1-CB 4.11Å; A348-A352 PolarHBondContact O-N 3.42Å; S349-A352 PolarHBondContact O-N 3.38Å; A352-I354 PolarHBondContact O-N 2.97Å; A352-I355 PolarHBondContact O-N 3.28Å; A352-C356 WeakPolarHBondContact O-CB 3.38Å; A352-C356 PolarHBondContact O-N 3.49Å
353V91.6Very high89.2Confident6 Ų622.1 Ų22.14%0.03612%0.123CC..Hα-helixtrans-60.6-45.9177.2171.70000111.8L155 N190 V194 V312 S349 L350 A351 A357L155-V353 HydrophobicContact CD1-CB 4.46Å; L155-V353 HydrophobicContact CD1-CG2 3.88Å; N190-V353 HydrophobicContact CB-CG1 4.08Å; N190-V353 HydrophobicContact CB-CG2 4.48Å; V194-V353 HydrophobicContact CG2-CG2 3.82Å; V312-V353 HydrophobicContact CG2-CG1 4.15Å; S349-V353 WeakPolarHBondContact O-CG2 3.38Å; S349-V353 PolarHBondContact O-N 3.31Å; S349-V353 VanDerWaalsContact O-N 3.12Å; L350-V353 PolarHBondContact O-N 3.08Å; A351-V353 VanDerWaalsContact C-N 3.34Å; A351-V353 PolarHBondContact O-N 3.08Å; V353-A357 VanDerWaalsContact O-CB 3.26Å; V353-A357 WeakPolarHBondContact O-CB 3.41Å; V353-A357 PolarHBondContact O-N 2.96Å
354I89.8Confident89.4Confident3 Ų326 Ų262%0.01514%0.138CC..Hα-helixtrans-66.4-43.6179.9-65-173.9000111.3L2 I108 Q112 L350 A351 A352 C356 A357 V358L2-I354 HydrophobicContact CD2-CD1 3.55Å; L2-I354 HydrophobicContact CD2-CG1 3.4Å; I108-I354 HydrophobicContact CG2-CG2 3.54Å; Q112-I354 HydrophobicContact CG-CB 3.81Å; Q112-I354 HydrophobicContact CG-CG2 3.67Å; L350-I354 WeakPolarHBondContact O-CG1 2.88Å; L350-I354 PolarHBondContact O-N 3.33Å; A351-I354 PolarHBondContact O-N 2.88Å; A352-I354 PolarHBondContact O-N 2.97Å; I354-C356 PolarHBondContact O-N 3.12Å; I354-A357 WeakPolarHBondContact O-CA 3.49Å; I354-A357 WeakPolarHBondContact O-CB 3.3Å; I354-A357 PolarHBondContact O-N 3.42Å; I354-V358 HydrophobicContact CG2-CG1 4.32Å; I354-V358 WeakPolarHBondContact O-CG2 3.2Å; I354-V358 PolarHBondContact O-N 2.97Å
355I91.9Very high89.6Confident35 Ų3531.3 Ų31.318%0.17916%0.158CC..Hα-helixtrans-58.2-49.1177.9-71.7164.6000110.3Q112 I116 L152 A351 A352 A357 V358 A359Q112-I355 HydrophobicContact CB-CD1 3.62Å; Q112-I355 HydrophobicContact CB-CG1 3.56Å; Q112-I355 HydrophobicContact CG-CG1 4.06Å; I116-I355 HydrophobicContact CD1-CD1 3.51Å; I116-I355 HydrophobicContact CG1-CD1 4.49Å; L152-I355 HydrophobicContact CD1-CB 4.29Å; L152-I355 HydrophobicContact CD1-CG2 3.96Å; A351-I355 WeakPolarHBondContact O-CG1 3.27Å; A351-I355 PolarHBondContact O-N 3.23Å; A352-I355 PolarHBondContact O-N 3.28Å; I355-A357 PolarHBondContact O-N 3.02Å; I355-V358 PolarHBondContact O-N 2.99Å; I355-A359 WeakPolarHBondContact O-CB 3.33Å; I355-A359 PolarHBondContact O-N 3.36Å
356C91.1Very high89.6Confident12 Ų1231.8 Ų31.88%0.08116%0.161CC..Hα-helixtrans-62.5-31.8175-76.20000112.8L152 L155 Q315 A352 I354 P360L152-C356 VanDerWaalsContact CD1-SG 3.56Å; L155-C356 HydrophobicContact CB-CB 4.45Å; L155-C356 HydrophobicContact CD1-CB 4.28Å; Q315-C356 PolarHBondContact NE2-O 3.32Å; A352-C356 WeakPolarHBondContact O-CB 3.38Å; A352-C356 PolarHBondContact O-N 3.49Å; I354-C356 PolarHBondContact O-N 3.12Å; C356-P360 WeakPolarHBondContact O-CD 3.3Å
357A88.8Confident89.6Confident2 Ų234.1 Ų34.12%0.01718%0.175CC..Hα-helixtrans-68.9-43.8179.100000112.5A311 V312 Q315 V353 I354 I355A311-A357 HydrophobicContact CB-CB 3.97Å; V312-A357 HydrophobicContact CG2-CB 3.49Å; V312-A357 VanDerWaalsContact CG2-CB 3.49Å; Q315-A357 PolarHBondContact NE2-O 3.4Å; V353-A357 VanDerWaalsContact O-CB 3.26Å; V353-A357 WeakPolarHBondContact O-CB 3.41Å; V353-A357 PolarHBondContact O-N 2.96Å; I354-A357 WeakPolarHBondContact O-CA 3.49Å; I354-A357 WeakPolarHBondContact O-CB 3.3Å; I354-A357 PolarHBondContact O-N 3.42Å; I355-A357 PolarHBondContact O-N 3.02Å
358V90.4Very high89.8Confident3 Ų338.5 Ų38.52%0.01820%0.197CC..Hα-helixtrans-89.6-22.3-173.9-57.40000113.7A105 I108 A311 I354 I355 M361A105-V358 HydrophobicContact CB-CB 4.43Å; I108-V358 HydrophobicContact CB-CG1 4.46Å; I108-V358 HydrophobicContact CG2-CG1 3.9Å; I108-V358 HydrophobicContact CG2-CG2 4.45Å; A311-V358 HydrophobicContact CB-CG1 4.34Å; I354-V358 HydrophobicContact CG2-CG1 4.32Å; I354-V358 WeakPolarHBondContact O-CG2 3.2Å; I354-V358 PolarHBondContact O-N 2.97Å; I355-V358 PolarHBondContact O-N 2.99Å; V358-M361 HydrophobicContact CB-SD 4.31Å; V358-M361 HydrophobicContact CG1-SD 4.38Å; V358-M361 WeakPolarHBondContact O-CB 3.5Å; V358-M361 WeakPolarHBondContact O-CG 3.48Å; V358-M361 PolarHBondContact O-N 3.39Å
359A89.8Confident89.9Confident60 Ų6045.3 Ų45.350%0.49623%0.227SC..G310 helixtrans-53.4-42.2-177.600000114.4I355 M361 V362I355-A359 WeakPolarHBondContact O-CB 3.33Å; I355-A359 PolarHBondContact O-N 3.36Å; A359-M361 PolarHBondContact O-N 3.5Å; A359-M361 VanDerWaalsContact O-N 3.13Å; A359-V362 PolarHBondContact O-N 3.46Å
360P87.7Confident89.9Confident55 Ų5546 Ų4636%0.35723%0.231SC..G310 helixtrans-68.9-7177.9-21.435.7000115M159 Q274 C356 V362M159-P360 HydrophobicContact CE-CG 4.23Å; Q274-P360 PolarHBondContact NE2-O 3.18Å; C356-P360 WeakPolarHBondContact O-CD 3.3Å; P360-V362 VanDerWaalsContact C-N 3.32Å
361M86.7Confident90.1Very high10 Ų1052.7 Ų52.75%0.04926%0.256CS..G310 helixtrans-79.3-17.4178.8-57.6-178.767.700112.5T101 A105 F271 F307 A311 V358 A359 D363T101-M361 HydrophobicContact CG2-CB 4.07Å; T101-M361 HydrophobicContact CG2-CE 3.68Å; A105-M361 HydrophobicContact CB-CB 3.99Å; F271-M361 HydrophobicContact CD2-CE 4.35Å; F271-M361 HydrophobicContact CE1-CE 4.16Å; F271-M361 HydrophobicContact CE1-SD 4.35Å; F271-M361 HydrophobicContact CE2-CE 3.47Å; F271-M361 VanDerWaalsContact CE2-CE 3.47Å; F271-M361 HydrophobicContact CE2-SD 4.31Å; F271-M361 HydrophobicContact CZ-CE 3.35Å; F271-M361 HydrophobicContact CZ-SD 3.64Å; F307-M361 HydrophobicContact CD1-CE 3.82Å; F307-M361 HydrophobicContact CE1-CE 3.84Å; A311-M361 HydrophobicContact CB-SD 4.1Å; V358-M361 HydrophobicContact CB-SD 4.31Å; V358-M361 HydrophobicContact CG1-SD 4.38Å; V358-M361 WeakPolarHBondContact O-CB 3.5Å; V358-M361 WeakPolarHBondContact O-CG 3.48Å; V358-M361 PolarHBondContact O-N 3.39Å; A359-M361 PolarHBondContact O-N 3.5Å; A359-M361 VanDerWaalsContact O-N 3.13Å; M361-D363 PolarHBondContact O-N 2.83Å
362V90Very high90.4Very high65 Ų6561.4 Ų61.439%0.39429%0.293SS..  trans-81.4103.6175.7-176.60000109.4A105 V106 A359 P360A105-V362 HydrophobicContact CB-CG2 3.61Å; V106-V362 HydrophobicContact CG2-CG2 4.49Å; A359-V362 PolarHBondContact O-N 3.46Å; P360-V362 VanDerWaalsContact C-N 3.32Å
363D85.6Confident90.4Very high56 Ų5667.3 Ų67.330%0.29932%0.324SS..  trans-108.388-178.4-169.4-10.1000111.9M361 R365 V366M361-D363 PolarHBondContact O-N 2.83Å; D363-R365 PolarHBondContact O-N 2.96Å; D363-R365 WeakPolarHBondContact OD1-CB 3.42Å; D363-R365 PolarHBondContact OD1-N 3.29Å; D363-R365 VanDerWaalsContact OD1-N 3.09Å; D363-V366 HydrophobicContact CB-CG2 4.12Å; D363-V366 PolarHBondContact O-N 2.9Å; D363-V366 VanDerWaalsContact OD2-CG2 3.27Å; D363-V366 WeakPolarHBondContact OD2-CG2 3.25Å
364Y87.4Confident90.4Very high138 Ų13874.2 Ų74.254%0.54135%0.349SS..Hα-helixtrans-65.2-21.6178.167.2-92.3000113.3V366 V367 M368Y364-V366 VanDerWaalsContact C-N 3.28Å; Y364-V366 PolarHBondContact O-N 2.67Å; Y364-V367 PolarHBondContact O-N 3.33Å; Y364-M368 HydrophobicContact CD2-CE 4.09Å; Y364-M368 PolarHBondContact O-N 3.07Å
365R89.2Confident90.5Very high173 Ų17382.3 Ų82.365%0.65338%0.379SS*.Hα-helixtrans-69.5-31.8-177.9-59177.2176.4-179.7-1.5110.9D363 V367 M368 K369D363-R365 PolarHBondContact O-N 2.96Å; D363-R365 WeakPolarHBondContact OD1-CB 3.42Å; D363-R365 PolarHBondContact OD1-N 3.29Å; D363-R365 VanDerWaalsContact OD1-N 3.09Å; R365-V367 VanDerWaalsContact C-N 3.34Å; R365-M368 PolarHBondContact O-N 2.83Å; R365-K369 WeakPolarHBondContact O-CB 3.41Å; R365-K369 PolarHBondContact O-N 2.95Å
366V88.2Confident90.5Very high15 Ų1585.7 Ų85.79%0.09140%0.397CS..Hα-helixtrans-61.5-43.1176.11720000111.1Y94 K98 D363 Y364 M368 K369 M370Y94-V366 HydrophobicContact CE1-CG1 4.11Å; K98-V366 HydrophobicContact CB-CG1 4.31Å; K98-V366 HydrophobicContact CD-CG1 4.46Å; K98-V366 HydrophobicContact CD-CG2 4.41Å; K98-V366 HydrophobicContact CG-CG1 4.07Å; D363-V366 HydrophobicContact CB-CG2 4.12Å; D363-V366 PolarHBondContact O-N 2.9Å; D363-V366 VanDerWaalsContact OD2-CG2 3.27Å; D363-V366 WeakPolarHBondContact OD2-CG2 3.25Å; Y364-V366 VanDerWaalsContact C-N 3.28Å; Y364-V366 PolarHBondContact O-N 2.67Å; V366-M368 PolarHBondContact O-N 3.32Å; V366-K369 PolarHBondContact O-N 3.43Å; V366-M370 HydrophobicContact CG1-CE 3.4Å; V366-M370 HydrophobicContact CG1-CG 4.37Å; V366-M370 HydrophobicContact CG1-SD 3.9Å; V366-M370 WeakPolarHBondContact O-CG 3.26Å; V366-M370 PolarHBondContact O-N 2.56Å
367V91.2Very high90.5Very high48 Ų4887.6 Ų87.629%0.29141%0.407SS..Hα-helixtrans-62.3-46178.6-176.30000110.8Y364 R365 K369 M370 W371 L378 F381Y364-V367 PolarHBondContact O-N 3.33Å; R365-V367 VanDerWaalsContact C-N 3.34Å; V367-K369 VanDerWaalsContact C-N 3.29Å; V367-K369 PolarHBondContact O-N 3.04Å; V367-M370 PolarHBondContact O-N 3.27Å; V367-W371 PolarHBondContact O-N 2.96Å; V367-L378 HydrophobicContact CG1-CD2 3.81Å; V367-F381 HydrophobicContact CG2-CD1 4.48Å; V367-F381 HydrophobicContact CG2-CE1 3.66Å; V367-F381 HydrophobicContact CG2-CE2 3.98Å; V367-F381 HydrophobicContact CG2-CZ 3.37Å
368M91.9Very high90.8Very high119 Ų11988.7 Ų88.759%0.58641%0.412SS*.Hα-helixtrans-61.9-38176.1-66.1-173.8-177.900112.2Y364 R365 V366 K372Y364-M368 HydrophobicContact CD2-CE 4.09Å; Y364-M368 PolarHBondContact O-N 3.07Å; R365-M368 PolarHBondContact O-N 2.83Å; V366-M368 PolarHBondContact O-N 3.32Å; M368-K372 WeakPolarHBondContact O-CG 3.37Å; M368-K372 PolarHBondContact O-N 3.24Å
369K92.3Very high91Very high143 Ų14392.6 Ų92.662%0.62243%0.433SS*.Hα-helixtrans-68.4-43.7177.9-168.9174.4-178179.30111.6R365 V366 V367 W371 K372 I373R365-K369 WeakPolarHBondContact O-CB 3.41Å; R365-K369 PolarHBondContact O-N 2.95Å; V366-K369 PolarHBondContact O-N 3.43Å; V367-K369 VanDerWaalsContact C-N 3.29Å; V367-K369 PolarHBondContact O-N 3.04Å; K369-W371 VanDerWaalsContact C-N 3.33Å; K369-W371 PolarHBondContact O-N 3.48Å; K369-K372 PolarHBondContact O-N 3.14Å; K369-I373 HydrophobicContact CD-CD1 4.48Å; K369-I373 HydrophobicContact CG-CD1 3.77Å; K369-I373 WeakPolarHBondContact O-CG1 3.25Å; K369-I373 PolarHBondContact O-N 3.15Å
370M92.5Very high91.3Very high16 Ų1689.9 Ų89.98%0.07941%0.41CS..Hα-helixtrans-59.7-43.8174.9-72.5171.3176.100111.3Y94 P95 V366 V367 K372 I373 R374 L378 F381Y94-M370 HydrophobicContact CD1-CE 3.67Å; Y94-M370 HydrophobicContact CE1-CE 3.78Å; P95-M370 HydrophobicContact CB-CE 4Å; P95-M370 HydrophobicContact CB-SD 4.45Å; P95-M370 HydrophobicContact CG-CE 4.07Å; V366-M370 HydrophobicContact CG1-CE 3.4Å; V366-M370 HydrophobicContact CG1-CG 4.37Å; V366-M370 HydrophobicContact CG1-SD 3.9Å; V366-M370 WeakPolarHBondContact O-CG 3.26Å; V366-M370 PolarHBondContact O-N 2.56Å; V367-M370 PolarHBondContact O-N 3.27Å; M370-K372 VanDerWaalsContact C-N 3.3Å; M370-K372 PolarHBondContact O-N 3.43Å; M370-I373 PolarHBondContact O-N 3.35Å; M370-R374 CarbonylContact O-C 3.55Å; M370-R374 PolarHBondContact O-N 3.24Å; M370-L378 HydrophobicContact CB-CD2 3.96Å; M370-L378 HydrophobicContact CB-CG 4.13Å; M370-F381 HydrophobicContact SD-CB 4.5Å; M370-F381 HydrophobicContact SD-CD2 4.4Å
371W94.2Very high91.6Very high148 Ų14888.2 Ų88.256%0.56140%0.397SS*.Hα-helixtrans-58.5-40.4176.5-172.1-82.9000113.1V367 K369 L378V367-W371 PolarHBondContact O-N 2.96Å; K369-W371 VanDerWaalsContact C-N 3.33Å; K369-W371 PolarHBondContact O-N 3.48Å; W371-L378 HydrophobicContact CB-CD1 3.97Å; W371-L378 HydrophobicContact CD2-CD1 3.91Å; W371-L378 HydrophobicContact CE3-CD1 3.17Å; W371-L378 HydrophobicContact CG-CD1 4.3Å; W371-L378 HydrophobicContact CZ3-CD1 3.84Å
372K94.9Very high92.1Very high182 Ų18288.8 Ų88.879%0.79141%0.405SS*.Hα-helixtrans-73.1-32.7178.8-72.2-178.3-179.4-175.20113.3M368 K369 M370M368-K372 WeakPolarHBondContact O-CG 3.37Å; M368-K372 PolarHBondContact O-N 3.24Å; K369-K372 PolarHBondContact O-N 3.14Å; M370-K372 VanDerWaalsContact C-N 3.3Å; M370-K372 PolarHBondContact O-N 3.43Å
373I92.8Very high92.4Very high125 Ų12587.5 Ų87.564%0.64140%0.398SS*.Hα-helixtrans-85.2-60.9-176.2-64168.9000111.2K369 M370K369-I373 HydrophobicContact CD-CD1 4.48Å; K369-I373 HydrophobicContact CG-CD1 3.77Å; K369-I373 WeakPolarHBondContact O-CG1 3.25Å; K369-I373 PolarHBondContact O-N 3.15Å; M370-I373 PolarHBondContact O-N 3.35Å
374R91.4Very high92.9Very high150 Ų15084.9 Ų84.957%0.56638%0.384SS*.  trans-153.6112.8-176.5-176.2-176.8-68.3163.6-2110.2M370 L376 D377M370-R374 CarbonylContact O-C 3.55Å; M370-R374 PolarHBondContact O-N 3.24Å; R374-L376 HydrophobicContact CG-CB 4.27Å; R374-L376 PolarHBondContact O-N 2.8Å; R374-D377 WeakPolarHBondContact CD-OD1 3.45Å; R374-D377 PolarHBondContact O-N 2.96Å; R374-D377 VanDerWaalsContact O-N 3.12Å
375R92.8Very high93.2Very high173 Ų17381 Ų8165%0.65337%0.369SS*.G310 helixtrans-62.7-27.6-176.9-60.1-175.7-172.3178.83114D377 L378R375-D377 PolarHBondContact O-N 2.86Å; R375-L378 WeakPolarHBondContact O-CB 3.44Å; R375-L378 PolarHBondContact O-N 2.85Å
376L91.6Very high93.5Very high107 Ų10778 Ų7856%0.5637%0.366SS*.G310 helixtrans-66-25.6177.8-67176.4000113R374 L378 L379 P380R374-L376 HydrophobicContact CG-CB 4.27Å; R374-L376 PolarHBondContact O-N 2.8Å; L376-L378 PolarHBondContact O-N 2.93Å; L376-L379 WeakPolarHBondContact O-CB 3.27Å; L376-L379 PolarHBondContact O-N 3.19Å; L376-P380 VanDerWaalsContact O-CD 3.3Å; L376-P380 WeakPolarHBondContact O-CD 3.47Å
377D90.9Very high93.9Very high51 Ų5181 Ų8127%0.27338%0.381SS..G310 helixtrans-73.8-15.2179.3-62.6-11.9000112P95 R374 R375 L379 P380P95-D377 WeakPolarHBondContact CB-O 3.35Å; P95-D377 HydrophobicContact CG-CB 4.26Å; R374-D377 WeakPolarHBondContact CD-OD1 3.45Å; R374-D377 PolarHBondContact O-N 2.96Å; R374-D377 VanDerWaalsContact O-N 3.12Å; R375-D377 PolarHBondContact O-N 2.86Å; D377-L379 VanDerWaalsContact C-N 3.32Å; D377-P380 WeakPolarHBondContact O-CD 3.48Å; D377-P380 WeakPolarHBondContact O-CG 3.31Å
378L94.4Very high93.9Very high26 Ų2678.9 Ų78.914%0.13637%0.368CS..Hα-helixtrans-74.6-22.5173-72.2159000113V367 M370 W371 R375 L376 F381 G382V367-L378 HydrophobicContact CG1-CD2 3.81Å; M370-L378 HydrophobicContact CB-CD2 3.96Å; M370-L378 HydrophobicContact CB-CG 4.13Å; W371-L378 HydrophobicContact CB-CD1 3.97Å; W371-L378 HydrophobicContact CD2-CD1 3.91Å; W371-L378 HydrophobicContact CE3-CD1 3.17Å; W371-L378 HydrophobicContact CG-CD1 4.3Å; W371-L378 HydrophobicContact CZ3-CD1 3.84Å; R375-L378 WeakPolarHBondContact O-CB 3.44Å; R375-L378 PolarHBondContact O-N 2.85Å; L376-L378 PolarHBondContact O-N 2.93Å; L378-F381 PolarHBondContact O-N 2.67Å; L378-G382 PolarHBondContact O-N 3.46Å
379L95.5Very high93.9Very high85 Ų8574.2 Ų74.245%0.44535%0.345SS..Hα-helixtrans-64.2-54-178.3-161161.4000111.2L376 D377 F381 G382 V383 V402L376-L379 WeakPolarHBondContact O-CB 3.27Å; L376-L379 PolarHBondContact O-N 3.19Å; D377-L379 VanDerWaalsContact C-N 3.32Å; L379-F381 VanDerWaalsContact C-N 3.32Å; L379-F381 PolarHBondContact O-N 3.42Å; L379-G382 PolarHBondContact O-N 3.23Å; L379-V383 HydrophobicContact CD2-CG2 4.02Å; L379-V383 WeakPolarHBondContact O-CB 3.36Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.44Å; L379-V383 PolarHBondContact O-N 3.45Å; L379-V402 HydrophobicContact CD2-CB 4.49Å; L379-V402 HydrophobicContact CD2-CG1 3.2Å
380P95.4Very high93.8Very high3 Ų374.6 Ų74.62%0.01934%0.342CS..Hα-helixtrans-62.3-37.3174.622.6-31.8000112.4P95 V96 L376 D377 T384 V402 L406P95-P380 HydrophobicContact CB-CG 4.05Å; P95-P380 HydrophobicContact CG-CG 4.47Å; V96-P380 HydrophobicContact CG2-CB 3.99Å; L376-P380 VanDerWaalsContact O-CD 3.3Å; L376-P380 WeakPolarHBondContact O-CD 3.47Å; D377-P380 WeakPolarHBondContact O-CD 3.48Å; D377-P380 WeakPolarHBondContact O-CG 3.31Å; P380-T384 WeakPolarHBondContact O-CB 3.47Å; P380-T384 PolarHBondContact O-N 3.28Å; P380-T384 PolarHBondContact O-OG1 3.34Å; P380-V402 HydrophobicContact CB-CG1 4.07Å; P380-L406 HydrophobicContact CG-CD1 4.35Å
381F95.4Very high93.4Very high19 Ų1977.6 Ų77.68%0.08336%0.356CS..Hα-helixtrans-58.6-50.3174.4173.1-85.9000112P95 K98 G99 V367 M370 L378 L379 T384 F385P95-F381 HydrophobicContact CB-CB 4.06Å; P95-F381 WeakPolarHBondContact O-CD2 3.34Å; K98-F381 HydrophobicContact CB-CD2 4.12Å; K98-F381 HydrophobicContact CB-CE2 4.09Å; G99-F381 VanDerWaalsContact CA-CD2 3.45Å; G99-F381 VanDerWaalsContact CA-CE2 3.42Å; G99-F381 VanDerWaalsContact N-CD2 3.3Å; V367-F381 HydrophobicContact CG2-CD1 4.48Å; V367-F381 HydrophobicContact CG2-CE1 3.66Å; V367-F381 HydrophobicContact CG2-CE2 3.98Å; V367-F381 HydrophobicContact CG2-CZ 3.37Å; M370-F381 HydrophobicContact SD-CB 4.5Å; M370-F381 HydrophobicContact SD-CD2 4.4Å; L378-F381 PolarHBondContact O-N 2.67Å; L379-F381 VanDerWaalsContact C-N 3.32Å; L379-F381 PolarHBondContact O-N 3.42Å; F381-T384 PolarHBondContact O-N 3Å; F381-F385 HydrophobicContact CE1-CB 4.46Å; F381-F385 VanDerWaalsContact O-CB 3.26Å; F381-F385 WeakPolarHBondContact O-CB 3.46Å; F381-F385 PolarHBondContact O-N 2.9Å
382G95.7Very high92.8Very high22 Ų2271.7 Ų71.723%0.22734%0.337CS..Hα-helixtrans-67.8-42.3-176.500000112.4L378 L379 F385 L386L378-G382 PolarHBondContact O-N 3.46Å; L379-G382 PolarHBondContact O-N 3.23Å; G382-F385 PolarHBondContact O-N 2.97Å; G382-L386 WeakPolarHBondContact O-CB 3.49Å; G382-L386 VanDerWaalsContact O-CG 3.3Å; G382-L386 WeakPolarHBondContact O-CG 3.41Å; G382-L386 PolarHBondContact O-N 2.96Å
383V96.8Very high92.3Very high39 Ų3964.3 Ų64.324%0.23631%0.305CS..Hα-helixtrans-60.5-48.6175.6171.40000110.5L379 L387 V402L379-V383 HydrophobicContact CD2-CG2 4.02Å; L379-V383 WeakPolarHBondContact O-CB 3.36Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.44Å; L379-V383 PolarHBondContact O-N 3.45Å; V383-L387 HydrophobicContact CG1-CD1 3.77Å; V383-L387 WeakPolarHBondContact O-CB 3.3Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 3.44Å; V383-V402 HydrophobicContact CB-CG2 4.49Å; V383-V402 HydrophobicContact CG1-CG2 4.09Å; V383-V402 HydrophobicContact CG2-CG2 4.32Å
384T95.6Very high92.1Very high0 Ų064.4 Ų64.40%030%0.298CS..Hα-helixtrans-60.6-48.4176.1-61.80000111.6V96 F100 P380 F381 L386 S388 G395 G399V96-T384 HydrophobicContact CG1-CG2 4.19Å; F100-T384 HydrophobicContact CB-CG2 3.6Å; F100-T384 VanDerWaalsContact N-CG2 3.32Å; P380-T384 WeakPolarHBondContact O-CB 3.47Å; P380-T384 PolarHBondContact O-N 3.28Å; P380-T384 PolarHBondContact O-OG1 3.34Å; F381-T384 PolarHBondContact O-N 3Å; T384-L386 PolarHBondContact O-N 3.2Å; T384-S388 WeakPolarHBondContact O-CB 3.14Å; T384-S388 PolarHBondContact O-N 3.47Å; T384-S388 PolarHBondContact O-OG 3.03Å; T384-G395 WeakPolarHBondContact CA-O 3.06Å; T384-G395 WeakPolarHBondContact CG2-O 3.47Å; T384-G395 PolarHBondContact OG1-O 3.23Å; T384-G399 WeakPolarHBondContact OG1-CA 3.2Å
385F95.5Very high92.1Very high56 Ų5657.2 Ų57.225%0.24627%0.271CS..Hα-helixtrans-58.6-45.7-177.8178.1-102000112.3C102 A103 F381 G382 F389C102-F385 HydrophobicContact CB-CD2 3.87Å; C102-F385 HydrophobicContact CB-CE2 3.9Å; A103-F385 HydrophobicContact CB-CD2 3.87Å; A103-F385 HydrophobicContact CB-CE2 4.33Å; A103-F385 WeakPolarHBondContact CB-O 3.4Å; F381-F385 HydrophobicContact CE1-CB 4.46Å; F381-F385 VanDerWaalsContact O-CB 3.26Å; F381-F385 WeakPolarHBondContact O-CB 3.46Å; F381-F385 PolarHBondContact O-N 2.9Å; G382-F385 PolarHBondContact O-N 2.97Å; F385-F389 HydrophobicContact CD1-CE2 4.03Å; F385-F389 AromaticContact CE1-CE2 3.67Å; F385-F389 HydrophobicContact CE1-CE2 3.67Å; F385-F389 AromaticContact CE1-CZ 3.89Å; F385-F389 HydrophobicContact CE1-CZ 3.89Å; F385-F389 HydrophobicContact CE2-CE2 4.44Å; F385-F389 HydrophobicContact CE2-CZ 4.01Å; F385-F389 AromaticContact CZ-CE2 3.9Å; F385-F389 HydrophobicContact CZ-CE2 3.9Å; F385-F389 AromaticContact CZ-CZ 3.6Å; F385-F389 HydrophobicContact CZ-CZ 3.6Å; F385-F389 WeakPolarHBondContact O-CD2 3.48Å; F385-F389 WeakPolarHBondContact O-CE2 3.47Å
386L95.6Very high92Very high112 Ų11249.2 Ų49.259%0.58624%0.241SC*.Hα-helixtrans-73.3-45.2-177.8-66.8174.3000112.5G382 T384 S388 F389G382-L386 WeakPolarHBondContact O-CB 3.49Å; G382-L386 VanDerWaalsContact O-CG 3.3Å; G382-L386 WeakPolarHBondContact O-CG 3.41Å; G382-L386 PolarHBondContact O-N 2.96Å; T384-L386 PolarHBondContact O-N 3.2Å; L386-S388 VanDerWaalsContact C-N 3.32Å; L386-S388 PolarHBondContact O-N 3.22Å; L386-F389 WeakPolarHBondContact O-CD2 3.16Å; L386-F389 PolarHBondContact O-N 2.97Å
387L95.4Very high92Very high78 Ų7848.6 Ų48.641%0.40824%0.237SC..Hα-helixtrans-73.9-24.8-177.4-69.2178.3000112.7V383 F389 W390 E391 S398V383-L387 HydrophobicContact CG1-CD1 3.77Å; V383-L387 WeakPolarHBondContact O-CB 3.3Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 3.44Å; L387-F389 PolarHBondContact O-N 3.2Å; L387-W390 PolarHBondContact O-N 2.97Å; L387-E391 PolarHBondContact O-N 2.79Å; L387-S398 VanDerWaalsContact CD1-CB 3.45Å; L387-S398 WeakPolarHBondContact CD1-OG 3.17Å
388S92.3Very high92.2Very high2 Ų247.4 Ų47.41%0.01423%0.233CC..THydrogen-bonded Turntrans-62.8-17.9172.2-78.30000114T384 L386 W390 E391T384-S388 WeakPolarHBondContact O-CB 3.14Å; T384-S388 PolarHBondContact O-N 3.47Å; T384-S388 PolarHBondContact O-OG 3.03Å; L386-S388 VanDerWaalsContact C-N 3.32Å; L386-S388 PolarHBondContact O-N 3.22Å; S388-W390 VanDerWaalsContact C-N 3.33Å; S388-E391 WeakPolarHBondContact CA-O 2.94Å; S388-E391 CarbonylContact O-C 3.55Å
389F92Very high92.2Very high22 Ų2246.1 Ų46.110%0.09623%0.226CC..THydrogen-bonded Turntrans-73.1-24.9172.2-67.6-58.4000113.1V106 F126 F127 F385 L386 L387V106-F389 HydrophobicContact CB-CE1 4.18Å; V106-F389 HydrophobicContact CG1-CE1 3.82Å; V106-F389 HydrophobicContact CG1-CZ 4.29Å; F126-F389 VanDerWaalsContact CB-O 3.31Å; F126-F389 WeakPolarHBondContact CB-O 3.11Å; F126-F389 HydrophobicContact CD1-CB 3.84Å; F126-F389 AromaticContact CD1-CD1 3.44Å; F126-F389 HydrophobicContact CD1-CD1 3.44Å; F126-F389 VanDerWaalsContact CD1-CD1 3.44Å; F126-F389 HydrophobicContact CD1-CE1 4.27Å; F126-F389 AromaticContact CD1-CG 3.89Å; F126-F389 HydrophobicContact CD1-CG 3.89Å; F126-F389 HydrophobicContact CD2-CD1 4.3Å; F126-F389 HydrophobicContact CE1-CB 4.38Å; F126-F389 AromaticContact CE1-CD1 3.35Å; F126-F389 HydrophobicContact CE1-CD1 3.35Å; F126-F389 AromaticContact CE1-CE1 3.75Å; F126-F389 HydrophobicContact CE1-CE1 3.75Å; F126-F389 AromaticContact CE1-CG 3.96Å; F126-F389 HydrophobicContact CE1-CG 3.96Å; F126-F389 HydrophobicContact CE2-CD1 4.22Å; F126-F389 HydrophobicContact CE2-CE1 4.31Å; F126-F389 HydrophobicContact CG-CB 4.48Å; F126-F389 AromaticContact CG-CD1 3.92Å; F126-F389 HydrophobicContact CG-CD1 3.92Å; F126-F389 AromaticContact CZ-CD1 3.77Å; F126-F389 HydrophobicContact CZ-CD1 3.77Å; F126-F389 AromaticContact CZ-CE1 3.76Å; F126-F389 HydrophobicContact CZ-CE1 3.76Å; F127-F389 HydrophobicContact CE2-CB 3.76Å; F127-F389 HydrophobicContact CZ-CB 3.68Å; F127-F389 HydrophobicContact CZ-CG 4.48Å; F385-F389 HydrophobicContact CD1-CE2 4.03Å; F385-F389 AromaticContact CE1-CE2 3.67Å; F385-F389 HydrophobicContact CE1-CE2 3.67Å; F385-F389 AromaticContact CE1-CZ 3.89Å; F385-F389 HydrophobicContact CE1-CZ 3.89Å; F385-F389 HydrophobicContact CE2-CE2 4.44Å; F385-F389 HydrophobicContact CE2-CZ 4.01Å; F385-F389 AromaticContact CZ-CE2 3.9Å; F385-F389 HydrophobicContact CZ-CE2 3.9Å; F385-F389 AromaticContact CZ-CZ 3.6Å; F385-F389 HydrophobicContact CZ-CZ 3.6Å; F385-F389 WeakPolarHBondContact O-CD2 3.48Å; F385-F389 WeakPolarHBondContact O-CE2 3.47Å; L386-F389 WeakPolarHBondContact O-CD2 3.16Å; L386-F389 PolarHBondContact O-N 2.97Å; L387-F389 PolarHBondContact O-N 3.2Å
390W89.6Confident92.1Very high150 Ų15043.9 Ų43.957%0.56822%0.216SC*.THydrogen-bonded Turntrans-76.1-64.9174.4-158.8-84.5000109.6F127 L387 S388F127-W390 HydrophobicContact CD2-CE3 4.11Å; F127-W390 HydrophobicContact CD2-CZ3 4.39Å; F127-W390 AromaticContact CE2-CE3 3.95Å; F127-W390 HydrophobicContact CE2-CE3 3.95Å; F127-W390 HydrophobicContact CE2-CZ3 4.49Å; L387-W390 PolarHBondContact O-N 2.97Å; S388-W390 VanDerWaalsContact C-N 3.33Å
391E83.9Confident92Very high80 Ų8046.7 Ų46.737%0.37424%0.24SC..  trans-143.9143.8165.2-66.6-170.9173.100108.7L387 S388 Q393 Y394 G395L387-E391 PolarHBondContact O-N 2.79Å; S388-E391 WeakPolarHBondContact CA-O 2.94Å; S388-E391 CarbonylContact O-C 3.55Å; E391-Q393 PolarHBondContact O-N 3.39Å; E391-Q393 PolarHBondContact OE2-OE1 3.22Å; E391-Y394 HydrophobicContact CB-CD2 3.6Å; E391-Y394 HydrophobicContact CB-CE2 3.97Å; E391-Y394 HydrophobicContact CB-CG 4.34Å; E391-Y394 HydrophobicContact CG-CD2 4Å; E391-Y394 HydrophobicContact CG-CE2 3.9Å; E391-Y394 PolarHBondContact O-N 3.4Å; E391-Y394 VanDerWaalsContact O-N 3.17Å; E391-Y394 WeakPolarHBondContact OE2-CE2 3.38Å; E391-G395 PolarHBondContact O-N 3.19Å
392V82.2Confident92.1Very high24 Ų2447.5 Ų47.515%0.14525%0.246CC..Hα-helixtrans-59.5-34.2-178.5175.70000110.9I50 F100 G395 I396I50-V392 HydrophobicContact CD1-CB 4.47Å; F100-V392 HydrophobicContact CD2-CG1 3.68Å; F100-V392 HydrophobicContact CE2-CG1 3.19Å; F100-V392 HydrophobicContact CZ-CG1 4.33Å; V392-G395 PolarHBondContact O-N 3.24Å; V392-I396 HydrophobicContact CG1-CD1 4.48Å; V392-I396 PolarHBondContact O-N 2.77Å
393Q83.1Confident92Very high26 Ų2647.6 Ų47.612%0.12124%0.243CC..Hα-helixtrans-57.4-54.5173.8-68.4101.6-38.600113.3M259 E391 G395 I396 I397M259-Q393 VanDerWaalsContact CE-CD 3.44Å; M259-Q393 HydrophobicContact CE-CG 3.29Å; M259-Q393 HydrophobicContact CG-CG 4.31Å; M259-Q393 HydrophobicContact SD-CB 4.36Å; M259-Q393 HydrophobicContact SD-CG 3.08Å; M259-Q393 WeakPolarHBondContact SD-CG 3.39Å; E391-Q393 PolarHBondContact O-N 3.39Å; E391-Q393 PolarHBondContact OE2-OE1 3.22Å; Q393-G395 PolarHBondContact O-N 3.15Å; Q393-I396 PolarHBondContact O-N 3.45Å; Q393-I396 VanDerWaalsContact O-N 3.13Å; Q393-I397 WeakPolarHBondContact O-CG1 3.06Å; Q393-I397 PolarHBondContact O-N 3.03Å
394Y89.6Confident91.8Very high127 Ų12747 Ų4750%0.49824%0.244SC..Hα-helixtrans-62.1-36.2-175.2-62.6-43000110.6E391 S398E391-Y394 HydrophobicContact CB-CD2 3.6Å; E391-Y394 HydrophobicContact CB-CE2 3.97Å; E391-Y394 HydrophobicContact CB-CG 4.34Å; E391-Y394 HydrophobicContact CG-CD2 4Å; E391-Y394 HydrophobicContact CG-CE2 3.9Å; E391-Y394 PolarHBondContact O-N 3.4Å; E391-Y394 VanDerWaalsContact O-N 3.17Å; E391-Y394 WeakPolarHBondContact OE2-CE2 3.38Å; Y394-S398 WeakPolarHBondContact O-CB 3.08Å; Y394-S398 PolarHBondContact O-N 3.2Å; Y394-S398 PolarHBondContact O-OG 3.22Å
395G91.9Very high91.7Very high0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-61.9-44.2173.800000114T384 E391 V392 Q393 S398 G399T384-G395 WeakPolarHBondContact CA-O 3.06Å; T384-G395 WeakPolarHBondContact CG2-O 3.47Å; T384-G395 PolarHBondContact OG1-O 3.23Å; E391-G395 PolarHBondContact O-N 3.19Å; V392-G395 PolarHBondContact O-N 3.24Å; Q393-G395 PolarHBondContact O-N 3.15Å; G395-S398 PolarHBondContact O-OG 3.26Å; G395-S398 VanDerWaalsContact O-OG 3.1Å; G395-G399 PolarHBondContact O-N 3.2Å
396I90.4Very high91.6Very high5 Ų549.5 Ų49.53%0.02627%0.268CS..Hα-helixtrans-65.7-51.9177.7-63.9162.5000110.3F100 A266 V392 Q393 S398 G399 V400F100-I396 HydrophobicContact CB-CG1 4.4Å; F100-I396 HydrophobicContact CD2-CD1 3.67Å; F100-I396 HydrophobicContact CD2-CG1 3.53Å; F100-I396 HydrophobicContact CE2-CD1 3.43Å; F100-I396 VanDerWaalsContact CE2-CD1 3.43Å; F100-I396 HydrophobicContact CE2-CG1 3.88Å; F100-I396 HydrophobicContact CG-CD1 4.42Å; F100-I396 HydrophobicContact CG-CG1 4.06Å; F100-I396 HydrophobicContact CZ-CD1 4.04Å; A266-I396 HydrophobicContact CB-CD1 3.9Å; V392-I396 HydrophobicContact CG1-CD1 4.48Å; V392-I396 PolarHBondContact O-N 2.77Å; Q393-I396 PolarHBondContact O-N 3.45Å; Q393-I396 VanDerWaalsContact O-N 3.13Å; I396-S398 PolarHBondContact O-N 3.31Å; I396-G399 PolarHBondContact O-N 3.39Å; I396-V400 HydrophobicContact CG2-CG2 4.32Å; I396-V400 WeakPolarHBondContact O-CG2 3.39Å; I396-V400 PolarHBondContact O-N 2.77Å
397I91.4Very high91.3Very high94 Ų9448.9 Ų48.948%0.48226%0.264SS..Hα-helixtrans-61.9-47.3-175-65.6170.6000110.7Q393 G399 V400 A401Q393-I397 WeakPolarHBondContact O-CG1 3.06Å; Q393-I397 PolarHBondContact O-N 3.03Å; I397-G399 VanDerWaalsContact C-N 3.33Å; I397-G399 PolarHBondContact O-N 2.91Å; I397-V400 PolarHBondContact O-N 3.14Å; I397-A401 WeakPolarHBondContact O-CB 2.95Å; I397-A401 PolarHBondContact O-N 3.35Å
398S94.6Very high91.1Very high25 Ų2550.5 Ų50.518%0.17527%0.273CS..Hα-helixtrans-63.3-38.7177590000112.4L387 Y394 G395 I396 A401 V402L387-S398 VanDerWaalsContact CD1-CB 3.45Å; L387-S398 WeakPolarHBondContact CD1-OG 3.17Å; Y394-S398 WeakPolarHBondContact O-CB 3.08Å; Y394-S398 PolarHBondContact O-N 3.2Å; Y394-S398 PolarHBondContact O-OG 3.22Å; G395-S398 PolarHBondContact O-OG 3.26Å; G395-S398 VanDerWaalsContact O-OG 3.1Å; I396-S398 PolarHBondContact O-N 3.31Å; S398-A401 PolarHBondContact O-N 3.25Å; S398-V402 WeakPolarHBondContact O-CB 3.45Å; S398-V402 VanDerWaalsContact O-CG2 3.29Å; S398-V402 WeakPolarHBondContact O-CG2 3.38Å; S398-V402 PolarHBondContact O-N 3.15Å
399G94.3Very high90.9Very high0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-59.7-49174.200000113.3V96 T384 G395 I396 I397 V402 S403V96-G399 VanDerWaalsContact CG2-C 3.43Å; V96-G399 WeakPolarHBondContact CG2-O 3.49Å; T384-G399 WeakPolarHBondContact OG1-CA 3.2Å; G395-G399 PolarHBondContact O-N 3.2Å; I396-G399 PolarHBondContact O-N 3.39Å; I397-G399 VanDerWaalsContact C-N 3.33Å; I397-G399 PolarHBondContact O-N 2.91Å; G399-V402 PolarHBondContact O-N 3.21Å; G399-S403 VanDerWaalsContact O-CB 3.3Å; G399-S403 WeakPolarHBondContact O-CB 3.18Å; G399-S403 PolarHBondContact O-N 2.8Å
400V93.3Very high90.7Very high38 Ų3859.5 Ų59.523%0.2332%0.32CS..Hα-helixtrans-62.8-44.5176.6175.10000110.2F91 I92 V96 I396 I397 V402 S403 G404F91-V400 HydrophobicContact CB-CG1 4.25Å; I92-V400 HydrophobicContact CB-CG2 4.33Å; I92-V400 HydrophobicContact CG1-CG2 3.88Å; I92-V400 HydrophobicContact CG2-CG2 4.35Å; V96-V400 HydrophobicContact CG1-CG2 4.35Å; I396-V400 HydrophobicContact CG2-CG2 4.32Å; I396-V400 WeakPolarHBondContact O-CG2 3.39Å; I396-V400 PolarHBondContact O-N 2.77Å; I397-V400 PolarHBondContact O-N 3.14Å; V400-V402 PolarHBondContact O-N 2.93Å; V400-S403 PolarHBondContact O-N 3.45Å; V400-G404 PolarHBondContact O-N 3.38Å
401A94.5Very high90.5Very high62 Ų6256.7 Ų56.751%0.51232%0.315SS..Hα-helixtrans-60-45.4178.200000111.8I397 S398 G404 A405I397-A401 WeakPolarHBondContact O-CB 2.95Å; I397-A401 PolarHBondContact O-N 3.35Å; S398-A401 PolarHBondContact O-N 3.25Å; A401-G404 PolarHBondContact O-N 2.85Å; A401-A405 WeakPolarHBondContact O-CB 3.38Å; A401-A405 PolarHBondContact O-N 3.39Å
402V95.8Very high90.6Very high35 Ų3554 Ų5421%0.21231%0.306CS..Hα-helixtrans-65.4-45.3176.5164.60000111.8L379 P380 V383 S398 G399 V400 G404 A405 L406L379-V402 HydrophobicContact CD2-CB 4.49Å; L379-V402 HydrophobicContact CD2-CG1 3.2Å; P380-V402 HydrophobicContact CB-CG1 4.07Å; V383-V402 HydrophobicContact CB-CG2 4.49Å; V383-V402 HydrophobicContact CG1-CG2 4.09Å; V383-V402 HydrophobicContact CG2-CG2 4.32Å; S398-V402 WeakPolarHBondContact O-CB 3.45Å; S398-V402 VanDerWaalsContact O-CG2 3.29Å; S398-V402 WeakPolarHBondContact O-CG2 3.38Å; S398-V402 PolarHBondContact O-N 3.15Å; G399-V402 PolarHBondContact O-N 3.21Å; V400-V402 PolarHBondContact O-N 2.93Å; V402-G404 VanDerWaalsContact C-N 3.28Å; V402-G404 PolarHBondContact O-N 3.38Å; V402-A405 PolarHBondContact O-N 3.07Å; V402-L406 HydrophobicContact CG1-CD1 4.36Å; V402-L406 WeakPolarHBondContact O-CG 3.47Å; V402-L406 PolarHBondContact O-N 2.96Å
403S94.2Very high90.8Very high25 Ų2558.6 Ų58.618%0.17532%0.32CS..Hα-helixtrans-62.1-39.2177.2-167.70000111.4S93 G399 V400 L407S93-S403 VanDerWaalsContact CB-OG 3.31Å; S93-S403 WeakPolarHBondContact CB-OG 3.42Å; S93-S403 PolarHBondContact OG-OG 2.87Å; G399-S403 VanDerWaalsContact O-CB 3.3Å; G399-S403 WeakPolarHBondContact O-CB 3.18Å; G399-S403 PolarHBondContact O-N 2.8Å; V400-S403 PolarHBondContact O-N 3.45Å; S403-L407 PolarHBondContact O-N 3.02Å; S403-L407 VanDerWaalsContact O-N 3.1Å
404G93.4Very high90.9Very high25 Ų2557.7 Ų57.726%0.25832%0.317SS..Hα-helixtrans-66.9-43.7174.200000112.1V400 A401 V402 L406 L407 L408V400-G404 PolarHBondContact O-N 3.38Å; A401-G404 PolarHBondContact O-N 2.85Å; V402-G404 VanDerWaalsContact C-N 3.28Å; V402-G404 PolarHBondContact O-N 3.38Å; G404-L406 VanDerWaalsContact C-N 3.31Å; G404-L406 PolarHBondContact O-N 3.48Å; G404-L407 WeakPolarHBondContact O-CB 3.37Å; G404-L407 PolarHBondContact O-N 3.22Å; G404-L407 VanDerWaalsContact O-N 3.14Å; G404-L408 WeakPolarHBondContact O-CB 3.28Å; G404-L408 WeakPolarHBondContact O-CG 3.32Å; G404-L408 PolarHBondContact O-N 3.29Å
405A93.6Very high90.6Very high56 Ų5660.1 Ų60.146%0.46333%0.33SS..Hα-helixtrans-60.8-40.1175.900000111.9A401 V402 L408 Y409A401-A405 WeakPolarHBondContact O-CB 3.38Å; A401-A405 PolarHBondContact O-N 3.39Å; V402-A405 PolarHBondContact O-N 3.07Å; A405-L408 PolarHBondContact O-N 2.8Å; A405-Y409 VanDerWaalsContact O-CB 3.26Å; A405-Y409 WeakPolarHBondContact O-CB 3.33Å; A405-Y409 PolarHBondContact O-N 3.31Å
406L92.2Very high90.2Very high53 Ų5361.7 Ų61.728%0.27734%0.338SS..Hα-helixtrans-64.5-40174-72.9173.1000112.3P380 V402 G404 A410P380-L406 HydrophobicContact CG-CD1 4.35Å; V402-L406 HydrophobicContact CG1-CD1 4.36Å; V402-L406 WeakPolarHBondContact O-CG 3.47Å; V402-L406 PolarHBondContact O-N 2.96Å; G404-L406 VanDerWaalsContact C-N 3.31Å; G404-L406 PolarHBondContact O-N 3.48Å; L406-A410 WeakPolarHBondContact O-CB 3.36Å; L406-A410 PolarHBondContact O-N 3.43Å
407L90.6Very high89.9Confident99 Ų9968 Ų6852%0.51837%0.365SS..Hα-helixtrans-64-48.1175.2-176.372.3000111.2S403 G404 Y409 A410 M411S403-L407 PolarHBondContact O-N 3.02Å; S403-L407 VanDerWaalsContact O-N 3.1Å; G404-L407 WeakPolarHBondContact O-CB 3.37Å; G404-L407 PolarHBondContact O-N 3.22Å; G404-L407 VanDerWaalsContact O-N 3.14Å; L407-Y409 VanDerWaalsContact C-N 3.33Å; L407-Y409 PolarHBondContact O-N 3.05Å; L407-A410 PolarHBondContact O-N 2.98Å; L407-M411 WeakPolarHBondContact O-CG 3.39Å; L407-M411 PolarHBondContact O-N 3.39Å
408L90.1Very high89.5Confident112 Ų11266 Ų6659%0.58636%0.357SS*.Hα-helixtrans-63-39.9177.8-69.6174.5000111.6G404 A405 M411 A412G404-L408 WeakPolarHBondContact O-CB 3.28Å; G404-L408 WeakPolarHBondContact O-CG 3.32Å; G404-L408 PolarHBondContact O-N 3.29Å; A405-L408 PolarHBondContact O-N 2.8Å; L408-M411 PolarHBondContact O-N 2.99Å; L408-A412 VanDerWaalsContact O-CB 3.31Å; L408-A412 WeakPolarHBondContact O-CB 3.39Å; L408-A412 PolarHBondContact O-N 3.07Å
409Y89.5Confident88.9Confident153 Ų15367.2 Ų67.260%0.637%0.366SS*.Hα-helixtrans-62.7-43.3175.2-179.7-94.8000111.8A405 L407 M411 A412 R413A405-Y409 VanDerWaalsContact O-CB 3.26Å; A405-Y409 WeakPolarHBondContact O-CB 3.33Å; A405-Y409 PolarHBondContact O-N 3.31Å; L407-Y409 VanDerWaalsContact C-N 3.33Å; L407-Y409 PolarHBondContact O-N 3.05Å; Y409-M411 VanDerWaalsContact C-N 3.26Å; Y409-M411 PolarHBondContact O-N 3.19Å; Y409-A412 PolarHBondContact O-N 3.46Å; Y409-R413 HydrophobicContact CD2-CG 4.49Å; Y409-R413 HydrophobicContact CE1-CB 4.47Å; Y409-R413 HydrophobicContact CE2-CG 3.98Å; Y409-R413 PolarHBondContact O-N 3.39Å
410A85.8Confident88.1Confident61 Ų6173 Ų7350%0.50440%0.397SS..Hα-helixtrans-63.6-33.1176.400000112.4L406 L407L406-A410 WeakPolarHBondContact O-CB 3.36Å; L406-A410 PolarHBondContact O-N 3.43Å; L407-A410 PolarHBondContact O-N 2.98Å
411M85.8Confident87.1Confident91 Ų9177.7 Ų77.745%0.44842%0.416SS..Hα-helixtrans-73.5-36.4172.6-68.8-179.564.600112.7L407 L408 Y409 A436L407-M411 WeakPolarHBondContact O-CG 3.39Å; L407-M411 PolarHBondContact O-N 3.39Å; L408-M411 PolarHBondContact O-N 2.99Å; Y409-M411 VanDerWaalsContact C-N 3.26Å; Y409-M411 PolarHBondContact O-N 3.19Å; M411-A436 WeakPolarHBondContact O-CB 3.34Å
412A87.2Confident85.9Confident23 Ų2377.6 Ų77.619%0.1942%0.421CS..Hα-helixtrans-77.3-30.6-178.300000114L408 Y409 P414 P435 A436L408-A412 VanDerWaalsContact O-CB 3.31Å; L408-A412 WeakPolarHBondContact O-CB 3.39Å; L408-A412 PolarHBondContact O-N 3.07Å; Y409-A412 PolarHBondContact O-N 3.46Å; A412-P414 VanDerWaalsContact C-CD 3.41Å; A412-P414 WeakPolarHBondContact O-CD 3.38Å; A412-P435 HydrophobicContact CB-CB 3.68Å; A412-A436 WeakPolarHBondContact O-CA 3.41Å
413R86.8Confident84.9Confident120 Ų12076.3 Ų76.345%0.45341%0.413SS..SBendtrans-123.168.5-179.2-63.7-66-164.2-153.2-2110.3Y409 H439Y409-R413 HydrophobicContact CD2-CG 4.49Å; Y409-R413 HydrophobicContact CE1-CB 4.47Å; Y409-R413 HydrophobicContact CE2-CG 3.98Å; Y409-R413 PolarHBondContact O-N 3.39Å; R413-H439 WeakPolarHBondContact CD-CD2 3.48Å; R413-H439 VanDerWaalsContact CD-CG 3.48Å; R413-H439 PolarHBondContact NH1-ND1 2.85Å
414P84.5Confident84.4Confident8 Ų875.5 Ų75.55%0.05241%0.407CS..  trans-65.4147.517731.1-37.1000110.4A412 M416 S430 A436A412-P414 VanDerWaalsContact C-CD 3.41Å; A412-P414 WeakPolarHBondContact O-CD 3.38Å; P414-M416 PolarHBondContact O-N 3Å; P414-S430 WeakPolarHBondContact CB-OG 3.4Å; P414-A436 HydrophobicContact CG-CB 4.02Å
415K82.4Confident83.9Confident177 Ų17775 Ų7577%0.7740%0.399SS*.  trans-69.4126.4175.1-68.9-176.9179.4-178.10108.8S429K415-S429 WeakPolarHBondContact O-CB 3.47Å; K415-S429 PolarHBondContact O-OG 3.35Å
416M83.3Confident83.6Confident33 Ų3372.4 Ų72.416%0.16338%0.377CS..EExtended strand (participates in β ladder)trans-114.6131.1174.7-71.4170.2-86.700108.2P414 I426 L428 H439 L440 I443P414-M416 PolarHBondContact O-N 3Å; M416-I426 HydrophobicContact CB-CG2 4.46Å; M416-L428 HydrophobicContact CG-CD2 4.08Å; M416-L428 HydrophobicContact SD-CD2 4.25Å; M416-H439 WeakPolarHBondContact CE-CD2 3.29Å; M416-L440 HydrophobicContact SD-CB 4.38Å; M416-L440 HydrophobicContact SD-CD1 3.57Å; M416-L440 VanDerWaalsContact SD-CD1 3.57Å; M416-I443 HydrophobicContact CE-CD1 3.25Å; M416-I443 HydrophobicContact CE-CG1 4.21Å; M416-I443 HydrophobicContact SD-CD1 4.02Å
417K84.3Confident83.3Confident138 Ų13872.7 Ų72.760%0.638%0.377SS*.EExtended strand (participates in β ladder)trans-95.4132.7167.2-68.2178.3-170.7161.90107.6E427K417-E427 HydrophobicContact CB-CB 4.29Å; K417-E427 PolarHBondContact N-O 3.35Å; K417-E427 IonicContact NZ-OE2 3.13Å; K417-E427 PolarHBondContact O-N 3.39Å
418V83.2Confident83Confident51 Ų5168 Ų6831%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-116.6122.3177.7-1750000107.1L424 V425 I426 I443V418-L424 HydrophobicContact CG1-CD1 3.4Å; V418-L424 VanDerWaalsContact CG1-CD1 3.4Å; V418-L424 HydrophobicContact CG1-CG 4.17Å; V418-V425 WeakPolarHBondContact CA-O 3.4Å; V418-I426 HydrophobicContact CG1-CG1 4.42Å; V418-I426 HydrophobicContact CG2-CG1 4.37Å; V418-I443 HydrophobicContact CG2-CG2 4.43Å
419S82.4Confident82.4Confident52 Ų5265.8 Ų65.836%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-122.9130.5179.6-65.60000108.8V425S419-V425 PolarHBondContact N-O 2.97Å; S419-V425 PolarHBondContact O-N 3.38Å
420D76.8Confident81.8Confident122 Ų12260.5 Ų60.565%0.65233%0.332SS*.EExtended strand (participates in β ladder)trans-103.3116.3175.8-174.21.7000109.3G422D420-G422 PolarHBondContact OD1-N 3.47Å
421H72.6Confident81.3Confident135 Ų13558.7 Ų58.763%0.62532%0.319SS*.SBendtrans-119.625.3176.9-65.117.1000110.6V423H421-V423 PolarHBondContact N-O 3.17Å; H421-V423 PolarHBondContact O-N 2.93Å
422G69.6Low81.1Confident60 Ų6054.6 Ų54.662%0.61930%0.299SS*.SBendtrans85.9-14.6-164.600000113D420D420-G422 PolarHBondContact OD1-N 3.47Å
423V75.9Confident80.9Confident8 Ų854.5 Ų54.55%0.04830%0.297CS..SBendtrans-126.7135.7166174.60000106.1H421 V425 S456 V458 L520 E523H421-V423 PolarHBondContact N-O 3.17Å; H421-V423 PolarHBondContact O-N 2.93Å; V423-V425 PolarHBondContact O-N 3.47Å; V423-S456 WeakPolarHBondContact CG1-O 3.4Å; V423-V458 HydrophobicContact CG1-CB 4.47Å; V423-V458 HydrophobicContact CG1-CG2 3.65Å; V423-L520 HydrophobicContact CB-CD2 3.91Å; V423-L520 HydrophobicContact CG1-CD2 4.24Å; V423-L520 HydrophobicContact CG2-CD2 4.44Å; V423-E523 HydrophobicContact CG2-CB 4.04Å
424L82.1Confident80.7Confident9 Ų955.1 Ų55.15%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-78.3112-178.4-173.671.8000109.2V418 I426 Q447 P454 S456 V457 V458V418-L424 HydrophobicContact CG1-CD1 3.4Å; V418-L424 VanDerWaalsContact CG1-CD1 3.4Å; V418-L424 HydrophobicContact CG1-CG 4.17Å; L424-I426 HydrophobicContact CD2-CD1 4.16Å; L424-I426 HydrophobicContact CD2-CG1 4.42Å; L424-I426 HydrophobicContact CG-CG1 4.31Å; L424-Q447 HydrophobicContact CD2-CB 3.83Å; L424-P454 HydrophobicContact CB-CB 4.18Å; L424-P454 HydrophobicContact CB-CG 4.16Å; L424-P454 HydrophobicContact CD2-CG 4.41Å; L424-S456 PolarHBondContact N-O 3.45Å; L424-V457 HydrophobicContact CB-CG1 4.44Å; L424-V457 HydrophobicContact CB-CG2 4.16Å; L424-V457 HydrophobicContact CD2-CG1 4.28Å; L424-V457 HydrophobicContact CD2-CG2 4.15Å; L424-V457 CarbonylContact O-C 3.5Å; L424-V457 WeakPolarHBondContact O-CA 3.4Å; L424-V458 PolarHBondContact O-N 2.96Å
425V84.3Confident80.7Confident15 Ų1556.3 Ų56.39%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-101123.5176.6-174.30000109.3V418 S419 V423 V458 V516 L520V418-V425 WeakPolarHBondContact CA-O 3.4Å; S419-V425 PolarHBondContact N-O 2.97Å; S419-V425 PolarHBondContact O-N 3.38Å; V423-V425 PolarHBondContact O-N 3.47Å; V425-V458 WeakPolarHBondContact CA-O 3.4Å; V425-V458 HydrophobicContact CG2-CB 4.34Å; V425-V516 HydrophobicContact CG1-CG1 3.98Å; V425-L520 HydrophobicContact CG2-CD2 4.04Å
426I86.1Confident80.8Confident0 Ų047.9 Ų47.90%028%0.275CS..EExtended strand (participates in β ladder)trans-114.1110.5177.7-59.3174.2000108.3M416 V418 L424 L440 I444 V457 V458 L459 D460M416-I426 HydrophobicContact CB-CG2 4.46Å; V418-I426 HydrophobicContact CG1-CG1 4.42Å; V418-I426 HydrophobicContact CG2-CG1 4.37Å; L424-I426 HydrophobicContact CD2-CD1 4.16Å; L424-I426 HydrophobicContact CD2-CG1 4.42Å; L424-I426 HydrophobicContact CG-CG1 4.31Å; I426-L440 HydrophobicContact CG2-CD1 4.15Å; I426-I444 HydrophobicContact CD1-CD1 4.38Å; I426-I444 HydrophobicContact CD1-CG1 3.54Å; I426-V457 HydrophobicContact CD1-CG1 4.09Å; I426-V458 PolarHBondContact N-O 2.66Å; I426-L459 HydrophobicContact CB-CD1 4.16Å; I426-L459 HydrophobicContact CG2-CD1 4.19Å; I426-D460 PolarHBondContact O-N 3.31Å
427E86.4Confident80.9Confident59 Ų5946.5 Ų46.528%0.27627%0.268SS..EExtended strand (participates in β ladder)trans-91.9117178.5-169.8-170.5167.500110.2K417K417-E427 HydrophobicContact CB-CB 4.29Å; K417-E427 PolarHBondContact N-O 3.35Å; K417-E427 IonicContact NZ-OE2 3.13Å; K417-E427 PolarHBondContact O-N 3.39Å
428L83.6Confident80.9Confident1 Ų146.9 Ų46.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-84.6120.4174.6-70.3160.3000109.4M416 L432 L440 L459 D460 H463 V464M416-L428 HydrophobicContact CG-CD2 4.08Å; M416-L428 HydrophobicContact SD-CD2 4.25Å; L428-L432 HydrophobicContact CD1-CD1 4.21Å; L428-L432 HydrophobicContact CD2-CD1 3.77Å; L428-L440 HydrophobicContact CD2-CD1 4.23Å; L428-L440 HydrophobicContact CD2-CD2 4.49Å; L428-L459 HydrophobicContact CD1-CD1 4.16Å; L428-L459 HydrophobicContact CD1-CD2 3.86Å; L428-L459 HydrophobicContact CD1-CG 3.87Å; L428-D460 WeakPolarHBondContact CB-O 3.46Å; L428-D460 PolarHBondContact N-O 3.33Å; L428-H463 WeakPolarHBondContact O-CB 3.32Å; L428-H463 PolarHBondContact O-ND1 2.88Å; L428-V464 HydrophobicContact CB-CG2 3.98Å; L428-V464 HydrophobicContact CD1-CG2 3.7Å; L428-V464 HydrophobicContact CG-CG2 4.46Å
429S77.3Confident80.9Confident66 Ų6646.2 Ų46.246%0.46227%0.265SS..  trans-84.7-7.217965.20000114.5K415K415-S429 WeakPolarHBondContact O-CB 3.47Å; K415-S429 PolarHBondContact O-OG 3.35Å
430S77.1Confident81.1Confident42 Ų4243.8 Ų43.829%0.29425%0.248SC..SBendtrans-153.8173.7-178.467.10000112.1P414P414-S430 WeakPolarHBondContact CB-OG 3.4Å
431G75.9Confident81.4Confident23 Ų2338.8 Ų38.824%0.23722%0.223CC..  trans-55.1149.5176.300000113.9
432L81.6Confident81.9Confident4 Ų438 Ų382%0.02122%0.219CC..  trans-99.8107179.1-152.378.1000108.3L428 A436 V437 L440 V464 I466 V471L428-L432 HydrophobicContact CD1-CD1 4.21Å; L428-L432 HydrophobicContact CD2-CD1 3.77Å; L432-A436 HydrophobicContact CD1-CB 4.43Å; L432-V437 HydrophobicContact CD2-CG2 4.26Å; L432-L440 HydrophobicContact CD1-CB 4.4Å; L432-L440 HydrophobicContact CD1-CD2 3.71Å; L432-L440 HydrophobicContact CD2-CD2 3.87Å; L432-L440 HydrophobicContact CG-CD2 4.45Å; L432-V464 HydrophobicContact CB-CG1 4.15Å; L432-I466 PolarHBondContact N-O 3.04Å; L432-V471 HydrophobicContact CD2-CG1 3.42Å; L432-V471 VanDerWaalsContact CD2-CG1 3.42Å; L432-V471 HydrophobicContact CD2-CG2 4.37Å; L432-V471 HydrophobicContact CG-CG1 4.2Å; L432-V471 HydrophobicContact CG-CG2 4.33Å
433S82.9Confident82.5Confident22 Ų2236.8 Ų36.815%0.15420%0.198CC..  trans-114.5167.3177.7520000110.8P435 A436 V437 D468S433-P435 VanDerWaalsContact C-N 3.26Å; S433-P435 VanDerWaalsContact O-CD 3.3Å; S433-P435 WeakPolarHBondContact O-CD 3.32Å; S433-P435 WeakPolarHBondContact OG-CD 3.23Å; S433-A436 WeakPolarHBondContact O-CA 3.39Å; S433-A436 WeakPolarHBondContact O-CB 3.39Å; S433-A436 PolarHBondContact O-N 3.22Å; S433-V437 PolarHBondContact O-N 3.25Å; S433-V437 VanDerWaalsContact O-N 3.17Å; S433-D468 VanDerWaalsContact C-OD1 3.26Å; S433-D468 VanDerWaalsContact CA-OD1 3.24Å; S433-D468 WeakPolarHBondContact CA-OD1 3.35Å
434F83Confident82.7Confident132 Ų13236.5 Ų36.558%0.57920%0.196SC*.Hα-helixtrans-42.8-38.6179.783.3-94.7000115.9V437 D468 T470F434-V437 WeakPolarHBondContact O-CG1 3.3Å; F434-D468 WeakPolarHBondContact CB-OD2 3.26Å; F434-D468 PolarHBondContact N-OD1 3.49Å; F434-T470 HydrophobicContact CB-CG2 4.17Å
435P83.7Confident82.5Confident34 Ų3437.7 Ų37.722%0.22120%0.201CC..Hα-helixtrans-82.9-20.6179.69.77.7000112.5A412 S433A412-P435 HydrophobicContact CB-CB 3.68Å; S433-P435 VanDerWaalsContact C-N 3.26Å; S433-P435 VanDerWaalsContact O-CD 3.3Å; S433-P435 WeakPolarHBondContact O-CD 3.32Å; S433-P435 WeakPolarHBondContact OG-CD 3.23Å
436A84.7Confident82.1Confident0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-81.3-32-179.500000112.7M411 A412 P414 L432 S433 E438 H439 L440M411-A436 WeakPolarHBondContact O-CB 3.34Å; A412-A436 WeakPolarHBondContact O-CA 3.41Å; P414-A436 HydrophobicContact CG-CB 4.02Å; L432-A436 HydrophobicContact CD1-CB 4.43Å; S433-A436 WeakPolarHBondContact O-CA 3.39Å; S433-A436 WeakPolarHBondContact O-CB 3.39Å; S433-A436 PolarHBondContact O-N 3.22Å; A436-E438 VanDerWaalsContact C-N 3.34Å; A436-E438 PolarHBondContact O-N 3.2Å; A436-H439 WeakPolarHBondContact O-CB 3.5Å; A436-H439 PolarHBondContact O-N 3.38Å; A436-H439 VanDerWaalsContact O-N 3.16Å; A436-L440 PolarHBondContact O-N 3.07Å
437V85.4Confident81.3Confident4 Ų443.2 Ų43.22%0.02423%0.231CC..Hα-helixtrans-65.5-36.6-173.272.70000112.8L432 S433 F434 H439 L440 S441 V471 E474L432-V437 HydrophobicContact CD2-CG2 4.26Å; S433-V437 PolarHBondContact O-N 3.25Å; S433-V437 VanDerWaalsContact O-N 3.17Å; F434-V437 WeakPolarHBondContact O-CG1 3.3Å; V437-H439 VanDerWaalsContact C-N 3.31Å; V437-H439 PolarHBondContact O-N 2.72Å; V437-L440 PolarHBondContact O-N 3.07Å; V437-S441 WeakPolarHBondContact O-CB 3.46Å; V437-S441 PolarHBondContact O-N 3.1Å; V437-V471 HydrophobicContact CB-CB 4.47Å; V437-V471 HydrophobicContact CB-CG2 3.93Å; V437-V471 HydrophobicContact CG1-CG2 4.28Å; V437-V471 HydrophobicContact CG2-CB 4.44Å; V437-V471 HydrophobicContact CG2-CG1 4.26Å; V437-V471 HydrophobicContact CG2-CG2 4.39Å; V437-E474 HydrophobicContact CB-CB 4.48Å; V437-E474 HydrophobicContact CG1-CB 4Å; V437-E474 HydrophobicContact CG1-CG 3.84Å; V437-E474 HydrophobicContact CG2-CB 3.63Å; V437-E474 HydrophobicContact CG2-CG 4.39Å
438E84.5Confident80.2Confident145 Ų14541 Ų4168%0.67822%0.223SC*.Hα-helixtrans-65.2-38176.1-169.8177.7-172.400110.9A436 H442A436-E438 VanDerWaalsContact C-N 3.34Å; A436-E438 PolarHBondContact O-N 3.2Å; E438-H442 WeakPolarHBondContact O-CB 3.43Å; E438-H442 PolarHBondContact O-N 2.69Å
439H84.1Confident78.9Confident37 Ų3746 Ų4617%0.17125%0.249CC..Hα-helixtrans-64.3-45.3173.3-169.432.5000112.1R413 M416 A436 V437 H442 I443R413-H439 WeakPolarHBondContact CD-CD2 3.48Å; R413-H439 VanDerWaalsContact CD-CG 3.48Å; R413-H439 PolarHBondContact NH1-ND1 2.85Å; M416-H439 WeakPolarHBondContact CE-CD2 3.29Å; A436-H439 WeakPolarHBondContact O-CB 3.5Å; A436-H439 PolarHBondContact O-N 3.38Å; A436-H439 VanDerWaalsContact O-N 3.16Å; V437-H439 VanDerWaalsContact C-N 3.31Å; V437-H439 PolarHBondContact O-N 2.72Å; H439-H442 PolarHBondContact O-N 3.18Å; H439-I443 WeakPolarHBondContact O-CG1 3.29Å; H439-I443 PolarHBondContact O-N 3.27Å
440L84.9Confident78Confident1 Ų148.2 Ų48.21%0.00525%0.252CS..Hα-helixtrans-59.9-50.4178175.464.5000110.4M416 I426 L428 L432 A436 V437 H442 I443 I444 L459M416-L440 HydrophobicContact SD-CB 4.38Å; M416-L440 HydrophobicContact SD-CD1 3.57Å; M416-L440 VanDerWaalsContact SD-CD1 3.57Å; I426-L440 HydrophobicContact CG2-CD1 4.15Å; L428-L440 HydrophobicContact CD2-CD1 4.23Å; L428-L440 HydrophobicContact CD2-CD2 4.49Å; L432-L440 HydrophobicContact CD1-CB 4.4Å; L432-L440 HydrophobicContact CD1-CD2 3.71Å; L432-L440 HydrophobicContact CD2-CD2 3.87Å; L432-L440 HydrophobicContact CG-CD2 4.45Å; A436-L440 PolarHBondContact O-N 3.07Å; V437-L440 PolarHBondContact O-N 3.07Å; L440-H442 VanDerWaalsContact C-N 3.3Å; L440-H442 PolarHBondContact O-N 2.71Å; L440-I443 PolarHBondContact O-N 3.32Å; L440-I443 VanDerWaalsContact O-N 3.13Å; L440-I444 HydrophobicContact CD1-CD1 3.72Å; L440-I444 HydrophobicContact CD1-CG1 3.99Å; L440-I444 HydrophobicContact CD2-CD1 4.19Å; L440-I444 HydrophobicContact CG-CD1 3.63Å; L440-I444 HydrophobicContact CG-CG1 4.26Å; L440-I444 WeakPolarHBondContact O-CB 3.29Å; L440-I444 VanDerWaalsContact O-CG1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.2Å; L440-L459 HydrophobicContact CD1-CD1 3.96Å; L440-L459 HydrophobicContact CD2-CD1 4.07Å; L440-L459 HydrophobicContact CD2-CD2 4.31Å
441S83.2Confident76.5Confident17 Ų1753.3 Ų53.312%0.11928%0.281CS..Hα-helixtrans-56-45.7177.5-175.90000111.1V437 I443 I444 H445V437-S441 WeakPolarHBondContact O-CB 3.46Å; V437-S441 PolarHBondContact O-N 3.1Å; S441-I443 PolarHBondContact O-N 3.35Å; S441-I444 PolarHBondContact O-N 3.32Å; S441-H445 WeakPolarHBondContact O-CB 3.31Å; S441-H445 PolarHBondContact O-CD2 3.49Å; S441-H445 PolarHBondContact O-N 3.33Å; S441-H445 PolarHBondContact OG-CD2 2.84Å
442H84.3Confident75.5Confident119 Ų11957.3 Ų57.355%0.55131%0.305SS*.Hα-helixtrans-60.1-45175.5-176.2-76000112.7E438 H439 L440 H445 T446E438-H442 WeakPolarHBondContact O-CB 3.43Å; E438-H442 PolarHBondContact O-N 2.69Å; H439-H442 PolarHBondContact O-N 3.18Å; L440-H442 VanDerWaalsContact C-N 3.3Å; L440-H442 PolarHBondContact O-N 2.71Å; H442-H445 PolarHBondContact O-N 2.99Å; H442-T446 PolarHBondContact CE1-OG1 2.78Å; H442-T446 PolarHBondContact ND1-OG1 3.39Å; H442-T446 WeakPolarHBondContact O-CB 3.41Å; H442-T446 PolarHBondContact O-N 3.3Å; H442-T446 PolarHBondContact O-OG1 2.99Å
443I81.8Confident74.3Confident34 Ų3461.3 Ų61.317%0.17433%0.331CS..Hα-helixtrans-64.3-47.9177.5-68-169.7000110.6M416 V418 H439 L440 S441 H445 T446 Q447M416-I443 HydrophobicContact CE-CD1 3.25Å; M416-I443 HydrophobicContact CE-CG1 4.21Å; M416-I443 HydrophobicContact SD-CD1 4.02Å; V418-I443 HydrophobicContact CG2-CG2 4.43Å; H439-I443 WeakPolarHBondContact O-CG1 3.29Å; H439-I443 PolarHBondContact O-N 3.27Å; L440-I443 PolarHBondContact O-N 3.32Å; L440-I443 VanDerWaalsContact O-N 3.13Å; S441-I443 PolarHBondContact O-N 3.35Å; I443-H445 VanDerWaalsContact C-N 3.29Å; I443-H445 PolarHBondContact O-N 3.11Å; I443-T446 PolarHBondContact O-N 3.37Å; I443-Q447 HydrophobicContact CG2-CG 3.97Å; I443-Q447 VanDerWaalsContact O-CB 3.28Å; I443-Q447 WeakPolarHBondContact O-CB 3.42Å; I443-Q447 WeakPolarHBondContact O-CG 3.44Å; I443-Q447 PolarHBondContact O-N 3.24Å
444I79.1Confident73.2Confident2 Ų261.4 Ų61.41%0.0133%0.331CS..Hα-helixtrans-56.3-47.1178-72.5175.8000109.9I426 L440 S441 A448 L459 L478 F482I426-I444 HydrophobicContact CD1-CD1 4.38Å; I426-I444 HydrophobicContact CD1-CG1 3.54Å; L440-I444 HydrophobicContact CD1-CD1 3.72Å; L440-I444 HydrophobicContact CD1-CG1 3.99Å; L440-I444 HydrophobicContact CD2-CD1 4.19Å; L440-I444 HydrophobicContact CG-CD1 3.63Å; L440-I444 HydrophobicContact CG-CG1 4.26Å; L440-I444 WeakPolarHBondContact O-CB 3.29Å; L440-I444 VanDerWaalsContact O-CG1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.2Å; S441-I444 PolarHBondContact O-N 3.32Å; I444-A448 WeakPolarHBondContact O-CB 3.27Å; I444-A448 PolarHBondContact O-N 3.21Å; I444-L459 HydrophobicContact CD1-CD1 4.24Å; I444-L478 HydrophobicContact CB-CD1 4.34Å; I444-L478 HydrophobicContact CD1-CD1 3.83Å; I444-L478 HydrophobicContact CG2-CD1 4.11Å; I444-L478 HydrophobicContact CG2-CD2 4.28Å; I444-F482 HydrophobicContact CG2-CE1 3.74Å; I444-F482 HydrophobicContact CG2-CE2 3.95Å; I444-F482 HydrophobicContact CG2-CZ 3.13Å
445H78Confident72.5Confident34 Ų3463.9 Ų63.916%0.15734%0.337CS..Hα-helixtrans-63.2-47.2177.3-83.8-57.3000112.5S441 H442 I443 Q447 A448 L449 Q481S441-H445 WeakPolarHBondContact O-CB 3.31Å; S441-H445 PolarHBondContact O-CD2 3.49Å; S441-H445 PolarHBondContact O-N 3.33Å; S441-H445 PolarHBondContact OG-CD2 2.84Å; H442-H445 PolarHBondContact O-N 2.99Å; I443-H445 VanDerWaalsContact C-N 3.29Å; I443-H445 PolarHBondContact O-N 3.11Å; H445-Q447 VanDerWaalsContact C-N 3.32Å; H445-Q447 PolarHBondContact O-N 2.83Å; H445-A448 PolarHBondContact O-N 3.06Å; H445-L449 WeakPolarHBondContact O-CB 3.22Å; H445-L449 VanDerWaalsContact O-CD1 3.31Å; H445-L449 WeakPolarHBondContact O-CD1 3.12Å; H445-L449 WeakPolarHBondContact O-CG 3.48Å; H445-L449 PolarHBondContact O-N 3.17Å; H445-Q481 PolarHBondContact CE1-OE1 3.48Å; H445-Q481 PolarHBondContact NE2-OE1 3.07Å
446T75.8Confident72.1Confident71 Ų7162.4 Ų62.444%0.43633%0.327SS..Hα-helixtrans-65.1-38.2-177.5-47.40000111.5H442 I443H442-T446 PolarHBondContact CE1-OG1 2.78Å; H442-T446 PolarHBondContact ND1-OG1 3.39Å; H442-T446 WeakPolarHBondContact O-CB 3.41Å; H442-T446 PolarHBondContact O-N 3.3Å; H442-T446 PolarHBondContact O-OG1 2.99Å; I443-T446 PolarHBondContact O-N 3.37Å
447Q70.8Confident72Confident61 Ų6162.4 Ų62.429%0.28533%0.327SS..Hα-helixtrans-74.7-41.5178.1-68.4-91.2-25.800111.6L424 I443 H445 L449 Q450L424-Q447 HydrophobicContact CD2-CB 3.83Å; I443-Q447 HydrophobicContact CG2-CG 3.97Å; I443-Q447 VanDerWaalsContact O-CB 3.28Å; I443-Q447 WeakPolarHBondContact O-CB 3.42Å; I443-Q447 WeakPolarHBondContact O-CG 3.44Å; I443-Q447 PolarHBondContact O-N 3.24Å; H445-Q447 VanDerWaalsContact C-N 3.32Å; H445-Q447 PolarHBondContact O-N 2.83Å; Q447-L449 PolarHBondContact O-N 3.18Å; Q447-Q450 PolarHBondContact O-N 3.42Å
448A62.5Low72Confident11 Ų1162.2 Ų62.29%0.09133%0.326CS..Hα-helixtrans-70.9-15.5176.300000113.7I444 H445 F482I444-A448 WeakPolarHBondContact O-CB 3.27Å; I444-A448 PolarHBondContact O-N 3.21Å; H445-A448 PolarHBondContact O-N 3.06Å; A448-F482 HydrophobicContact CB-CZ 4.12Å
449L56.7Low72.2Confident106 Ų10655.4 Ų55.456%0.55529%0.294SS*.THydrogen-bonded Turntrans-93.71.7176.9-80.5166.7000114.1H445 Q447H445-L449 WeakPolarHBondContact O-CB 3.22Å; H445-L449 VanDerWaalsContact O-CD1 3.31Å; H445-L449 WeakPolarHBondContact O-CD1 3.12Å; H445-L449 WeakPolarHBondContact O-CG 3.48Å; H445-L449 PolarHBondContact O-N 3.17Å; Q447-L449 PolarHBondContact O-N 3.18Å
450Q59Low72.3Confident113 Ų11354.7 Ų54.753%0.52829%0.291SS..SBendtrans-66.9159.8174.8-66.6-169.4-500111.5Q447 C452Q447-Q450 PolarHBondContact O-N 3.42Å; Q450-C452 CarbonylContact O-C 3.41Å; Q450-C452 PolarHBondContact O-N 3.32Å
451T44.7Very low72.4Confident149 Ų14954.8 Ų54.891%0.91429%0.292SS*.SBendtrans-54.1-14.5-166.937.30000116.3
452C53.9Low72.5Confident107 Ų10759.3 Ų59.372%0.72331%0.311SS*.SBendtrans-128.2103.9165.9-61.70000108.6Q450Q450-C452 CarbonylContact O-C 3.41Å; Q450-C452 PolarHBondContact O-N 3.32Å
453P57.3Low72.5Confident88 Ų8857.8 Ų57.857%0.57130%0.304SS*.  trans-64.9130.6-179.624.6-32000110.1
454P60.5Low72.6Confident24 Ų2456.3 Ų56.316%0.15630%0.297CS..  trans-63137.3172.325.3-31.7000109.7L424 S456 V457L424-P454 HydrophobicContact CB-CB 4.18Å; L424-P454 HydrophobicContact CB-CG 4.16Å; L424-P454 HydrophobicContact CD2-CG 4.41Å; P454-S456 VanDerWaalsContact C-N 3.27Å; P454-S456 PolarHBondContact O-N 3.37Å; P454-V457 HydrophobicContact CG-CG2 4.31Å
455R66.6Low72.8Confident185 Ų18559.1 Ų59.170%0.69832%0.317SS*.SBendtrans-69-25.5178.3-79.7-178.2170.1-177-3.8112.6K488R455-K488 PolarHBondContact O-N 2.96Å; R455-K488 VanDerWaalsContact O-N 3.12Å
456S75.9Confident73Confident2 Ų263.2 Ų63.21%0.01434%0.338CS..EExtended strand (participates in β ladder)trans-145.6147.9177.6-168.40000111.8V423 L424 P454 K488 E523V423-S456 WeakPolarHBondContact CG1-O 3.4Å; L424-S456 PolarHBondContact N-O 3.45Å; P454-S456 VanDerWaalsContact C-N 3.27Å; P454-S456 PolarHBondContact O-N 3.37Å; S456-K488 CarbonylContact C-O 3.39Å; S456-K488 WeakPolarHBondContact CA-O 3.47Å; S456-K488 PolarHBondContact OG-O 3.28Å; S456-E523 WeakPolarHBondContact CB-OE2 3.41Å; S456-E523 PolarHBondContact OG-OE1 3.14Å
457V83.1Confident73.5Confident0 Ų061 Ų610%032%0.324CS..EExtended strand (participates in β ladder)trans-123.3127.1175.3-178.90000108.5L424 I426 P454 F482 V487 K488 L489 M490L424-V457 HydrophobicContact CB-CG1 4.44Å; L424-V457 HydrophobicContact CB-CG2 4.16Å; L424-V457 HydrophobicContact CD2-CG1 4.28Å; L424-V457 HydrophobicContact CD2-CG2 4.15Å; L424-V457 CarbonylContact O-C 3.5Å; L424-V457 WeakPolarHBondContact O-CA 3.4Å; I426-V457 HydrophobicContact CD1-CG1 4.09Å; P454-V457 HydrophobicContact CG-CG2 4.31Å; V457-F482 HydrophobicContact CB-CE2 4.2Å; V457-F482 HydrophobicContact CG2-CE2 3.84Å; V457-V487 HydrophobicContact CG2-CG1 3.98Å; V457-K488 PolarHBondContact N-O 3.48Å; V457-L489 HydrophobicContact CB-CD1 3.92Å; V457-L489 HydrophobicContact CG1-CD1 3.91Å; V457-L489 WeakPolarHBondContact O-CA 3.26Å; V457-M490 PolarHBondContact O-N 2.99Å
458V85.7Confident74.3Confident0 Ų060.2 Ų60.20%032%0.321CS..EExtended strand (participates in β ladder)trans-107.5121.4175.5177.80000108.9V423 L424 V425 I426 M490 S492 A519V423-V458 HydrophobicContact CG1-CB 4.47Å; V423-V458 HydrophobicContact CG1-CG2 3.65Å; L424-V458 PolarHBondContact O-N 2.96Å; V425-V458 WeakPolarHBondContact CA-O 3.4Å; V425-V458 HydrophobicContact CG2-CB 4.34Å; I426-V458 PolarHBondContact N-O 2.66Å; V458-M490 CarbonylContact C-O 3.55Å; V458-M490 WeakPolarHBondContact CA-O 3.45Å; V458-M490 HydrophobicContact CG2-CB 4.43Å; V458-S492 WeakPolarHBondContact CG1-OG 3.41Å; V458-A519 HydrophobicContact CG1-CB 3.84Å; V458-A519 HydrophobicContact CG2-CB 3.99Å
459L87.3Confident75.5Confident3 Ų368.4 Ų68.42%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-95.4113.3173.7-159.882.5000108.4I426 L428 L440 I444 M490 F491 S492I426-L459 HydrophobicContact CB-CD1 4.16Å; I426-L459 HydrophobicContact CG2-CD1 4.19Å; L428-L459 HydrophobicContact CD1-CD1 4.16Å; L428-L459 HydrophobicContact CD1-CD2 3.86Å; L428-L459 HydrophobicContact CD1-CG 3.87Å; L440-L459 HydrophobicContact CD1-CD1 3.96Å; L440-L459 HydrophobicContact CD2-CD1 4.07Å; L440-L459 HydrophobicContact CD2-CD2 4.31Å; I444-L459 HydrophobicContact CD1-CD1 4.24Å; L459-M490 PolarHBondContact N-O 3.1Å; L459-F491 HydrophobicContact CB-CD1 4.2Å; L459-F491 HydrophobicContact CD2-CD1 3.76Å; L459-F491 HydrophobicContact CD2-CE1 3.61Å; L459-F491 CarbonylContact O-C 3.55Å; L459-S492 PolarHBondContact O-N 3.36Å; L459-S492 PolarHBondContact O-OG 2.86Å
460D87.9Confident77.1Confident21 Ų2166.5 Ų66.511%0.11234%0.344CS..EExtended strand (participates in β ladder)trans-85.5113.7172.9178.310.5000109.9I426 L428 H462 S492 V516I426-D460 PolarHBondContact O-N 3.31Å; L428-D460 WeakPolarHBondContact CB-O 3.46Å; L428-D460 PolarHBondContact N-O 3.33Å; D460-H462 VanDerWaalsContact OD1-CB 3.31Å; D460-H462 WeakPolarHBondContact OD1-CB 2.99Å; D460-H462 PolarHBondContact OD1-N 3.02Å; D460-S492 WeakPolarHBondContact CA-OG 3.3Å; D460-V516 HydrophobicContact CB-CG2 3.88Å
461C85.8Confident78.5Confident4 Ų461.1 Ų61.13%0.02732%0.319CS..  trans-105.514.6-175.9-67.70000113.1H463 V464 S492 G493 L494C461-H463 PolarHBondContact O-N 3.2Å; C461-H463 VanDerWaalsContact O-N 3.11Å; C461-V464 HydrophobicContact CB-CB 4.14Å; C461-V464 HydrophobicContact CB-CG2 3.97Å; C461-V464 WeakPolarHBondContact O-CB 3.12Å; C461-V464 PolarHBondContact O-N 3.38Å; C461-S492 WeakPolarHBondContact CB-O 3.11Å; C461-S492 PolarHBondContact N-O 3Å; C461-G493 CarbonylContact C-O 3.55Å; C461-L494 HydrophobicContact CB-CD2 3.63Å; C461-L494 HydrophobicContact CB-CG 4.22Å
462H86.2Confident80.6Confident111 Ų11155 Ų5551%0.51428%0.28SS..THydrogen-bonded Turntrans-51.9-39.2-176.5-164.770.7000113.8D460 G493 Q495D460-H462 VanDerWaalsContact OD1-CB 3.31Å; D460-H462 WeakPolarHBondContact OD1-CB 2.99Å; D460-H462 PolarHBondContact OD1-N 3.02Å; H462-G493 WeakPolarHBondContact CA-O 3.27Å; H462-G493 PolarHBondContact N-O 3.31Å; H462-Q495 PolarHBondContact O-NE2 3.46Å
463H83.9Confident82.3Confident88 Ų8852.3 Ų52.341%0.40726%0.263SS..THydrogen-bonded Turntrans-94.24.7-179.6-53.598.7000114L428 C461 S465L428-H463 WeakPolarHBondContact O-CB 3.32Å; L428-H463 PolarHBondContact O-ND1 2.88Å; C461-H463 PolarHBondContact O-N 3.2Å; C461-H463 VanDerWaalsContact O-N 3.11Å; H463-S465 PolarHBondContact O-N 3.42Å
464V84.4Confident83.7Confident2 Ų251.4 Ų51.41%0.01225%0.251CS..  trans-84.2109.2178.6-178.80000109.1L428 L432 C461 I467 V498L428-V464 HydrophobicContact CB-CG2 3.98Å; L428-V464 HydrophobicContact CD1-CG2 3.7Å; L428-V464 HydrophobicContact CG-CG2 4.46Å; L432-V464 HydrophobicContact CB-CG1 4.15Å; C461-V464 HydrophobicContact CB-CB 4.14Å; C461-V464 HydrophobicContact CB-CG2 3.97Å; C461-V464 WeakPolarHBondContact O-CB 3.12Å; C461-V464 PolarHBondContact O-N 3.38Å; V464-I467 HydrophobicContact CG1-CD1 4.15Å; V464-I467 HydrophobicContact CG1-CG1 3.85Å; V464-V498 HydrophobicContact CG1-CG2 4.46Å; V464-V498 WeakPolarHBondContact O-CG2 3.41Å
465S81.8Confident85Confident62 Ų6250.4 Ų50.443%0.43425%0.245SC..  trans-100.3-26.3-177.555.70000114.3H463H463-S465 PolarHBondContact O-N 3.42Å
466I82.5Confident86Confident120 Ų12044.3 Ų44.362%0.61523%0.228SC*.  trans-137.8139.3-174.9-60.7173.6000108.2L432L432-I466 PolarHBondContact N-O 3.04Å
467I86.4Confident86.6Confident25 Ų2547.6 Ų47.613%0.12825%0.245CC..  trans-134.2135.4171.3-66.8-163000107.7V464 V471 I472 V498 L502V464-I467 HydrophobicContact CG1-CD1 4.15Å; V464-I467 HydrophobicContact CG1-CG1 3.85Å; I467-V471 HydrophobicContact CD1-CG1 4.41Å; I467-V471 HydrophobicContact CG2-CB 3.79Å; I467-V471 HydrophobicContact CG2-CG1 3.57Å; I467-I472 HydrophobicContact CG2-CG1 3.87Å; I467-V498 HydrophobicContact CB-CG1 4.44Å; I467-V498 HydrophobicContact CD1-CG1 3.23Å; I467-V498 HydrophobicContact CG1-CG1 3.64Å; I467-V498 HydrophobicContact CG1-CG2 4.41Å; I467-L502 HydrophobicContact CD1-CD1 4.45Å; I467-L502 HydrophobicContact CD1-CD2 4.36Å
468D87.9Confident86.7Confident44 Ų4447.8 Ų47.824%0.23525%0.246CC..  trans-105.7173.2174.366.7-76.7000112.3S433 F434 T470 V471 I472S433-D468 VanDerWaalsContact C-OD1 3.26Å; S433-D468 VanDerWaalsContact CA-OD1 3.24Å; S433-D468 WeakPolarHBondContact CA-OD1 3.35Å; F434-D468 WeakPolarHBondContact CB-OD2 3.26Å; F434-D468 PolarHBondContact N-OD1 3.49Å; D468-T470 VanDerWaalsContact C-N 3.33Å; D468-T470 PolarHBondContact O-N 2.82Å; D468-T470 VanDerWaalsContact OD2-CB 3.28Å; D468-T470 WeakPolarHBondContact OD2-CB 3.03Å; D468-T470 PolarHBondContact OD2-N 3.38Å; D468-T470 VanDerWaalsContact OD2-N 3.15Å; D468-V471 WeakPolarHBondContact O-CB 3.5Å; D468-V471 PolarHBondContact O-N 2.59Å; D468-V471 WeakPolarHBondContact OD1-CG2 3.1Å; D468-I472 PolarHBondContact O-N 3.17Å
469Y88.3Confident86.7Confident182 Ų18248.5 Ų48.571%0.71425%0.25SC*.Hα-helixtrans-63.2-36.2-175.6-177.6-99.6000113.3V471 I472 S473Y469-V471 VanDerWaalsContact C-N 3.28Å; Y469-V471 PolarHBondContact O-N 2.68Å; Y469-I472 WeakPolarHBondContact O-CB 3.27Å; Y469-I472 PolarHBondContact O-N 3.03Å; Y469-I472 VanDerWaalsContact O-N 3.13Å; Y469-S473 PolarHBondContact O-N 2.87Å
470T89Confident86.6Confident67 Ų6757 Ų5741%0.41128%0.282SS..Hα-helixtrans-62.9-39.5178.2-57.60000110.7F434 D468 I472 S473 E474F434-T470 HydrophobicContact CB-CG2 4.17Å; D468-T470 VanDerWaalsContact C-N 3.33Å; D468-T470 PolarHBondContact O-N 2.82Å; D468-T470 VanDerWaalsContact OD2-CB 3.28Å; D468-T470 WeakPolarHBondContact OD2-CB 3.03Å; D468-T470 PolarHBondContact OD2-N 3.38Å; D468-T470 VanDerWaalsContact OD2-N 3.15Å; T470-I472 VanDerWaalsContact C-N 3.34Å; T470-I472 PolarHBondContact O-N 3.23Å; T470-S473 PolarHBondContact O-N 3.36Å; T470-E474 WeakPolarHBondContact O-CG 3Å; T470-E474 PolarHBondContact O-N 3.43Å
471V88.6Confident86.4Confident0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-59.6-44.2173.6169.70000111.6L432 V437 I467 D468 Y469 S473 E474 L475L432-V471 HydrophobicContact CD2-CG1 3.42Å; L432-V471 VanDerWaalsContact CD2-CG1 3.42Å; L432-V471 HydrophobicContact CD2-CG2 4.37Å; L432-V471 HydrophobicContact CG-CG1 4.2Å; L432-V471 HydrophobicContact CG-CG2 4.33Å; V437-V471 HydrophobicContact CB-CB 4.47Å; V437-V471 HydrophobicContact CB-CG2 3.93Å; V437-V471 HydrophobicContact CG1-CG2 4.28Å; V437-V471 HydrophobicContact CG2-CB 4.44Å; V437-V471 HydrophobicContact CG2-CG1 4.26Å; V437-V471 HydrophobicContact CG2-CG2 4.39Å; I467-V471 HydrophobicContact CD1-CG1 4.41Å; I467-V471 HydrophobicContact CG2-CB 3.79Å; I467-V471 HydrophobicContact CG2-CG1 3.57Å; D468-V471 WeakPolarHBondContact O-CB 3.5Å; D468-V471 PolarHBondContact O-N 2.59Å; D468-V471 WeakPolarHBondContact OD1-CG2 3.1Å; Y469-V471 VanDerWaalsContact C-N 3.28Å; Y469-V471 PolarHBondContact O-N 2.68Å; V471-S473 PolarHBondContact O-N 3Å; V471-E474 PolarHBondContact O-N 2.73Å; V471-L475 HydrophobicContact CG1-CD1 3.7Å; V471-L475 HydrophobicContact CG1-CG 4.12Å; V471-L475 WeakPolarHBondContact O-CB 3.29Å; V471-L475 VanDerWaalsContact O-CG 3.25Å; V471-L475 WeakPolarHBondContact O-CG 3.48Å; V471-L475 PolarHBondContact O-N 3.17Å
472I89.1Confident86.2Confident19 Ų1959.9 Ų59.910%0.09729%0.294CS..Hα-helixtrans-62.1-45.4179.8-61.7169.9000110.6I467 D468 Y469 T470 L475 T476 V501 A505 L507I467-I472 HydrophobicContact CG2-CG1 3.87Å; D468-I472 PolarHBondContact O-N 3.17Å; Y469-I472 WeakPolarHBondContact O-CB 3.27Å; Y469-I472 PolarHBondContact O-N 3.03Å; Y469-I472 VanDerWaalsContact O-N 3.13Å; T470-I472 VanDerWaalsContact C-N 3.34Å; T470-I472 PolarHBondContact O-N 3.23Å; I472-L475 PolarHBondContact O-N 2.92Å; I472-T476 PolarHBondContact O-N 3.41Å; I472-T476 PolarHBondContact O-OG1 3.34Å; I472-V501 HydrophobicContact CD1-CG1 3.52Å; I472-V501 HydrophobicContact CG1-CG1 4.48Å; I472-A505 HydrophobicContact CD1-CB 4.42Å; I472-A505 HydrophobicContact CG2-CB 3.48Å; I472-A505 VanDerWaalsContact CG2-CB 3.48Å; I472-L507 HydrophobicContact CG2-CD2 4.34Å
473S89.5Confident86Confident51 Ų5161.7 Ų61.736%0.35730%0.301SS..Hα-helixtrans-59.3-48.9177.8-168.70000111.3Y469 T470 V471 L475 T476 D477Y469-S473 PolarHBondContact O-N 2.87Å; T470-S473 PolarHBondContact O-N 3.36Å; V471-S473 PolarHBondContact O-N 3Å; S473-L475 PolarHBondContact O-N 3.39Å; S473-T476 VanDerWaalsContact O-CB 3.29Å; S473-T476 WeakPolarHBondContact O-CB 3.3Å; S473-T476 PolarHBondContact O-N 2.85Å; S473-T476 VanDerWaalsContact O-N 3.16Å; S473-D477 PolarHBondContact O-N 2.97Å
474E86.9Confident85.9Confident70 Ų7064.3 Ų64.333%0.32732%0.317SS..Hα-helixtrans-65.7-39.4179.8-75-65.5148.300112.7V437 T470 V471 T476 D477 L478V437-E474 HydrophobicContact CB-CB 4.48Å; V437-E474 HydrophobicContact CG1-CB 4Å; V437-E474 HydrophobicContact CG1-CG 3.84Å; V437-E474 HydrophobicContact CG2-CB 3.63Å; V437-E474 HydrophobicContact CG2-CG 4.39Å; T470-E474 WeakPolarHBondContact O-CG 3Å; T470-E474 PolarHBondContact O-N 3.43Å; V471-E474 PolarHBondContact O-N 2.73Å; E474-T476 VanDerWaalsContact C-N 3.28Å; E474-T476 PolarHBondContact O-N 3.29Å; E474-D477 PolarHBondContact O-N 2.9Å; E474-L478 VanDerWaalsContact O-CB 3.31Å; E474-L478 WeakPolarHBondContact O-CB 3.36Å; E474-L478 PolarHBondContact O-N 2.7Å
475L87.8Confident85.6Confident3 Ų370.5 Ų70.52%0.01634%0.34CS..Hα-helixtrans-64.4-34.7173.6-73176.4000111.9V471 I472 S473 L478 L479 F491 L502V471-L475 HydrophobicContact CG1-CD1 3.7Å; V471-L475 HydrophobicContact CG1-CG 4.12Å; V471-L475 WeakPolarHBondContact O-CB 3.29Å; V471-L475 VanDerWaalsContact O-CG 3.25Å; V471-L475 WeakPolarHBondContact O-CG 3.48Å; V471-L475 PolarHBondContact O-N 3.17Å; I472-L475 PolarHBondContact O-N 2.92Å; S473-L475 PolarHBondContact O-N 3.39Å; L475-L478 PolarHBondContact O-N 3.44Å; L475-L479 WeakPolarHBondContact O-CB 3.45Å; L475-L479 WeakPolarHBondContact O-CG 3.31Å; L475-L479 PolarHBondContact O-N 2.92Å; L475-F491 HydrophobicContact CD1-CE1 4.24Å; L475-F491 HydrophobicContact CD1-CZ 4.46Å; L475-F491 HydrophobicContact CD2-CE1 4.22Å; L475-F491 HydrophobicContact CD2-CZ 4.23Å; L475-L502 HydrophobicContact CD1-CD2 4.47Å
476T88.6Confident85.4Confident57 Ų5776.6 Ų76.635%0.3536%0.359SS..Hα-helixtrans-63-47.2175-52.10000110.7I472 S473 E474 L479 R480 L507I472-T476 PolarHBondContact O-N 3.41Å; I472-T476 PolarHBondContact O-OG1 3.34Å; S473-T476 VanDerWaalsContact O-CB 3.29Å; S473-T476 WeakPolarHBondContact O-CB 3.3Å; S473-T476 PolarHBondContact O-N 2.85Å; S473-T476 VanDerWaalsContact O-N 3.16Å; E474-T476 VanDerWaalsContact C-N 3.28Å; E474-T476 PolarHBondContact O-N 3.29Å; T476-L479 PolarHBondContact O-N 3.1Å; T476-R480 WeakPolarHBondContact O-CB 3.37Å; T476-R480 PolarHBondContact O-N 3.02Å; T476-L507 HydrophobicContact CG2-CD2 4.29Å; T476-L507 WeakPolarHBondContact OG1-CD2 3.49Å
477D86.9Confident85.3Confident70 Ų7071.7 Ų71.737%0.37433%0.334SS..Hα-helixtrans-65.6-40178.1-75.9-25.6000111.6S473 E474 R480 Q481S473-D477 PolarHBondContact O-N 2.97Å; E474-D477 PolarHBondContact O-N 2.9Å; D477-R480 PolarHBondContact O-N 3.4Å; D477-Q481 WeakPolarHBondContact O-CG 3.31Å; D477-Q481 PolarHBondContact O-N 3.47Å
478L85.9Confident85.1Confident5 Ų574.1 Ų74.13%0.02634%0.344CS..Hα-helixtrans-62.3-46.5176-165152.7000111.5I444 E474 L475 R480 Q481 F482 L489I444-L478 HydrophobicContact CB-CD1 4.34Å; I444-L478 HydrophobicContact CD1-CD1 3.83Å; I444-L478 HydrophobicContact CG2-CD1 4.11Å; I444-L478 HydrophobicContact CG2-CD2 4.28Å; E474-L478 VanDerWaalsContact O-CB 3.31Å; E474-L478 WeakPolarHBondContact O-CB 3.36Å; E474-L478 PolarHBondContact O-N 2.7Å; L475-L478 PolarHBondContact O-N 3.44Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-Q481 PolarHBondContact O-N 3.27Å; L478-F482 HydrophobicContact CD2-CD1 3.85Å; L478-F482 HydrophobicContact CD2-CD2 4.21Å; L478-F482 HydrophobicContact CD2-CE1 3.9Å; L478-F482 HydrophobicContact CD2-CE2 4.22Å; L478-F482 HydrophobicContact CD2-CG 4.07Å; L478-F482 HydrophobicContact CD2-CZ 4.13Å; L478-F482 HydrophobicContact CG-CD1 4.32Å; L478-F482 HydrophobicContact CG-CE1 4.28Å; L478-F482 WeakPolarHBondContact O-CB 3.31Å; L478-F482 VanDerWaalsContact O-CD1 3.32Å; L478-F482 WeakPolarHBondContact O-CD1 2.99Å; L478-F482 PolarHBondContact O-N 3.47Å; L478-L489 HydrophobicContact CD2-CD2 3.61Å
479L86.3Confident84.9Confident14 Ų1472.4 Ų72.47%0.07334%0.335CS..Hα-helixtrans-58.3-42.8174.6-80.8169.3000111.9L475 T476 F482 K483 L489 F491 L507L475-L479 WeakPolarHBondContact O-CB 3.45Å; L475-L479 WeakPolarHBondContact O-CG 3.31Å; L475-L479 PolarHBondContact O-N 2.92Å; T476-L479 PolarHBondContact O-N 3.1Å; L479-F482 PolarHBondContact O-N 2.91Å; L479-K483 WeakPolarHBondContact O-CB 3.49Å; L479-K483 PolarHBondContact O-N 3.43Å; L479-L489 HydrophobicContact CD2-CB 3.9Å; L479-L489 HydrophobicContact CD2-CD2 3.68Å; L479-L489 HydrophobicContact CD2-CG 4.31Å; L479-L489 HydrophobicContact CG-CD2 4.08Å; L479-F491 HydrophobicContact CD2-CE2 4.47Å; L479-L507 HydrophobicContact CD1-CB 4.12Å; L479-L507 HydrophobicContact CD1-CD2 4.44Å
480R85.7Confident84.8Confident181 Ų18164 Ų6468%0.68330%0.302SS*.Hα-helixtrans-63-44.3177.8-171.3178.4-177.1167.41.6111.7T476 D477 L478 K483 L484T476-R480 WeakPolarHBondContact O-CB 3.37Å; T476-R480 PolarHBondContact O-N 3.02Å; D477-R480 PolarHBondContact O-N 3.4Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 3.44Å; R480-K483 PolarHBondContact O-N 3.26Å; R480-L484 WeakPolarHBondContact O-CG 3.47Å; R480-L484 PolarHBondContact O-N 2.96Å
481Q83.1Confident84.8Confident81 Ų8161 Ų6138%0.37928%0.283SS..Hα-helixtrans-66.7-38.2177.7-69.6-175.63400112.4H445 D477 L478 L484 R485H445-Q481 PolarHBondContact CE1-OE1 3.48Å; H445-Q481 PolarHBondContact NE2-OE1 3.07Å; D477-Q481 WeakPolarHBondContact O-CG 3.31Å; D477-Q481 PolarHBondContact O-N 3.47Å; L478-Q481 PolarHBondContact O-N 3.27Å; Q481-L484 PolarHBondContact O-N 2.94Å; Q481-R485 PolarHBondContact O-N 3.45Å
482F81.4Confident84.8Confident5 Ų561 Ų612%0.02228%0.283CS..Hα-helixtrans-66-40.7178.2-89.139.5000111.7I444 A448 V457 L478 L479 L484 R485 K486 V487 L489I444-F482 HydrophobicContact CG2-CE1 3.74Å; I444-F482 HydrophobicContact CG2-CE2 3.95Å; I444-F482 HydrophobicContact CG2-CZ 3.13Å; A448-F482 HydrophobicContact CB-CZ 4.12Å; V457-F482 HydrophobicContact CB-CE2 4.2Å; V457-F482 HydrophobicContact CG2-CE2 3.84Å; L478-F482 HydrophobicContact CD2-CD1 3.85Å; L478-F482 HydrophobicContact CD2-CD2 4.21Å; L478-F482 HydrophobicContact CD2-CE1 3.9Å; L478-F482 HydrophobicContact CD2-CE2 4.22Å; L478-F482 HydrophobicContact CD2-CG 4.07Å; L478-F482 HydrophobicContact CD2-CZ 4.13Å; L478-F482 HydrophobicContact CG-CD1 4.32Å; L478-F482 HydrophobicContact CG-CE1 4.28Å; L478-F482 WeakPolarHBondContact O-CB 3.31Å; L478-F482 VanDerWaalsContact O-CD1 3.32Å; L478-F482 WeakPolarHBondContact O-CD1 2.99Å; L478-F482 PolarHBondContact O-N 3.47Å; L479-F482 PolarHBondContact O-N 2.91Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.91Å; F482-R485 CarbonylContact O-C 3.4Å; F482-R485 PolarHBondContact O-N 3.27Å; F482-R485 VanDerWaalsContact O-N 3.1Å; F482-K486 PolarHBondContact O-N 3.31Å; F482-V487 CarbonylContact C-O 3.59Å; F482-V487 HydrophobicContact CD2-CB 4.03Å; F482-V487 HydrophobicContact CD2-CG1 3.7Å; F482-V487 HydrophobicContact CE2-CB 4.43Å; F482-V487 HydrophobicContact CE2-CG1 3.75Å; F482-V487 HydrophobicContact CG-CB 4.37Å; F482-V487 PolarHBondContact O-N 2.96Å; F482-L489 HydrophobicContact CD2-CB 3.98Å; F482-L489 HydrophobicContact CD2-CD1 4.38Å; F482-L489 HydrophobicContact CE2-CD1 4.21Å
483K82.3Confident84.7Confident150 Ų15060.6 Ų60.665%0.65228%0.284SS*.Hα-helixtrans-59.3-41173.2-168.7176.7-177.8178.60112.4L479 R480 R485 K486L479-K483 WeakPolarHBondContact O-CB 3.49Å; L479-K483 PolarHBondContact O-N 3.43Å; R480-K483 PolarHBondContact O-N 3.26Å; K483-R485 VanDerWaalsContact C-N 3.27Å; K483-R485 PolarHBondContact O-N 3.23Å; K483-K486 PolarHBondContact O-N 3.34Å
484L81.8Confident84.6Confident143 Ų14359.4 Ų59.475%0.74927%0.273SS*.Hα-helixtrans-64.2-31.6176.1-69.9172000112.7R480 Q481 F482R480-L484 WeakPolarHBondContact O-CG 3.47Å; R480-L484 PolarHBondContact O-N 2.96Å; Q481-L484 PolarHBondContact O-N 2.94Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.91Å
485R77.6Confident84.6Confident131 Ų13159.6 Ų59.649%0.49427%0.274SS..THydrogen-bonded Turntrans-93.23.7179.8-64.6-175.9-179.5-156.21.8114.2Q481 F482 K483 V487Q481-R485 PolarHBondContact O-N 3.45Å; F482-R485 CarbonylContact O-C 3.4Å; F482-R485 PolarHBondContact O-N 3.27Å; F482-R485 VanDerWaalsContact O-N 3.1Å; K483-R485 VanDerWaalsContact C-N 3.27Å; K483-R485 PolarHBondContact O-N 3.23Å; R485-V487 HydrophobicContact CB-CG2 4.25Å; R485-V487 PolarHBondContact O-N 3.4Å
486K78.1Confident84.6Confident191 Ų19164.1 Ų64.183%0.8330%0.304SS*.THydrogen-bonded Turntrans57.429.4-175.3-56.9-177177.6-178.20114F482 K483F482-K486 PolarHBondContact O-N 3.31Å; K483-K486 PolarHBondContact O-N 3.34Å
487V80.4Confident84.5Confident16 Ų1664.5 Ų64.510%0.09731%0.313CS..  trans-95.9127.9171.9-178.90000108.1V457 F482 R485V457-V487 HydrophobicContact CG2-CG1 3.98Å; F482-V487 CarbonylContact C-O 3.59Å; F482-V487 HydrophobicContact CD2-CB 4.03Å; F482-V487 HydrophobicContact CD2-CG1 3.7Å; F482-V487 HydrophobicContact CE2-CB 4.43Å; F482-V487 HydrophobicContact CE2-CG1 3.75Å; F482-V487 HydrophobicContact CG-CB 4.37Å; F482-V487 PolarHBondContact O-N 2.96Å; R485-V487 HydrophobicContact CB-CG2 4.25Å; R485-V487 PolarHBondContact O-N 3.4Å
488K81.6Confident84.6Confident76 Ų7661.3 Ų61.333%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-81.5138.4173.9-67.1174.5-171.11660109.7R455 S456 V457 E523 S526R455-K488 PolarHBondContact O-N 2.96Å; R455-K488 VanDerWaalsContact O-N 3.12Å; S456-K488 CarbonylContact C-O 3.39Å; S456-K488 WeakPolarHBondContact CA-O 3.47Å; S456-K488 PolarHBondContact OG-O 3.28Å; V457-K488 PolarHBondContact N-O 3.48Å; K488-E523 VanDerWaalsContact CD-OE1 3.31Å; K488-E523 WeakPolarHBondContact CD-OE1 3.06Å; K488-E523 IonicContact NZ-OE2 3.81Å; K488-S526 PolarHBondContact NZ-OG 3.39Å
489L84.3Confident84.7Confident9 Ų962.8 Ų62.85%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-116128.6170.5-174.471.4000108.4V457 L478 L479 F482 F491V457-L489 HydrophobicContact CB-CD1 3.92Å; V457-L489 HydrophobicContact CG1-CD1 3.91Å; V457-L489 WeakPolarHBondContact O-CA 3.26Å; L478-L489 HydrophobicContact CD2-CD2 3.61Å; L479-L489 HydrophobicContact CD2-CB 3.9Å; L479-L489 HydrophobicContact CD2-CD2 3.68Å; L479-L489 HydrophobicContact CD2-CG 4.31Å; L479-L489 HydrophobicContact CG-CD2 4.08Å; F482-L489 HydrophobicContact CD2-CB 3.98Å; F482-L489 HydrophobicContact CD2-CD1 4.38Å; F482-L489 HydrophobicContact CE2-CD1 4.21Å; L489-F491 HydrophobicContact CD2-CE2 3.95Å; L489-F491 HydrophobicContact CD2-CZ 3.78Å; L489-F491 HydrophobicContact CG-CE2 4.29Å; L489-F491 HydrophobicContact CG-CZ 4.43Å
490M86.7Confident84.8Confident6 Ų669.6 Ų69.63%0.0333%0.332CS..EExtended strand (participates in β ladder)trans-128.7137.8178.7-161.6143.169.200110.6V457 V458 L459 R511 T513 A519 E523V457-M490 PolarHBondContact O-N 2.99Å; V458-M490 CarbonylContact C-O 3.55Å; V458-M490 WeakPolarHBondContact CA-O 3.45Å; V458-M490 HydrophobicContact CG2-CB 4.43Å; L459-M490 PolarHBondContact N-O 3.1Å; M490-R511 HydrophobicContact CG-CB 3.99Å; M490-R511 HydrophobicContact SD-CB 4.01Å; M490-T513 HydrophobicContact CE-CG2 4.18Å; M490-T513 HydrophobicContact CG-CG2 4.43Å; M490-T513 HydrophobicContact SD-CG2 4.07Å; M490-A519 HydrophobicContact CE-CB 3.68Å; M490-A519 WeakPolarHBondContact CE-O 3.48Å; M490-E523 HydrophobicContact CE-CG 3.93Å
491F88.7Confident84.9Confident2 Ų263.8 Ų63.81%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-98.6139.8177.3-62.3-94.9000109.2L459 L475 L479 L489 L494 F510 R511 Y512 T513L459-F491 HydrophobicContact CB-CD1 4.2Å; L459-F491 HydrophobicContact CD2-CD1 3.76Å; L459-F491 HydrophobicContact CD2-CE1 3.61Å; L459-F491 CarbonylContact O-C 3.55Å; L475-F491 HydrophobicContact CD1-CE1 4.24Å; L475-F491 HydrophobicContact CD1-CZ 4.46Å; L475-F491 HydrophobicContact CD2-CE1 4.22Å; L475-F491 HydrophobicContact CD2-CZ 4.23Å; L479-F491 HydrophobicContact CD2-CE2 4.47Å; L489-F491 HydrophobicContact CD2-CE2 3.95Å; L489-F491 HydrophobicContact CD2-CZ 3.78Å; L489-F491 HydrophobicContact CG-CE2 4.29Å; L489-F491 HydrophobicContact CG-CZ 4.43Å; F491-L494 HydrophobicContact CB-CD1 3.85Å; F491-L494 HydrophobicContact CB-CG 4.29Å; F491-F510 HydrophobicContact CB-CE2 4.2Å; F491-F510 AromaticContact CD2-CD2 3.57Å; F491-F510 HydrophobicContact CD2-CD2 3.57Å; F491-F510 AromaticContact CD2-CE2 3.44Å; F491-F510 HydrophobicContact CD2-CE2 3.44Å; F491-F510 VanDerWaalsContact CD2-CE2 3.44Å; F491-F510 AromaticContact CE2-CD2 3.71Å; F491-F510 HydrophobicContact CE2-CD2 3.71Å; F491-F510 AromaticContact CE2-CE2 3.92Å; F491-F510 HydrophobicContact CE2-CE2 3.92Å; F491-F510 HydrophobicContact CG-CD2 4.41Å; F491-F510 AromaticContact CG-CE2 3.84Å; F491-F510 HydrophobicContact CG-CE2 3.84Å; F491-R511 PolarHBondContact N-O 3.42Å; F491-Y512 CarbonylContact O-C 3.07Å; F491-Y512 WeakPolarHBondContact O-CA 3.27Å; F491-T513 PolarHBondContact O-N 3.4Å
492S88.9Confident85.1Confident0 Ų060 Ų600%030%0.3CS..EExtended strand (participates in β ladder)trans-132.2150.7178.9570000110.9V458 L459 D460 C461 L494 T513V458-S492 WeakPolarHBondContact CG1-OG 3.41Å; L459-S492 PolarHBondContact O-N 3.36Å; L459-S492 PolarHBondContact O-OG 2.86Å; D460-S492 WeakPolarHBondContact CA-OG 3.3Å; C461-S492 WeakPolarHBondContact CB-O 3.11Å; C461-S492 PolarHBondContact N-O 3Å; S492-L494 PolarHBondContact O-N 3.06Å; S492-T513 WeakPolarHBondContact CA-O 3.48Å
493G85.6Confident85.3Confident11 Ų1164.2 Ų64.211%0.11332%0.322CS..SBendtrans66.830.2173.800000114.9C461 H462 Q495 T513C461-G493 CarbonylContact C-O 3.55Å; H462-G493 WeakPolarHBondContact CA-O 3.27Å; H462-G493 PolarHBondContact N-O 3.31Å; G493-Q495 PolarHBondContact O-N 3.2Å; G493-T513 PolarHBondContact N-O 3.42Å
494L87.6Confident85.6Confident26 Ų2661.3 Ų61.314%0.13633%0.325CS..  trans-68.4129.1-177.5-73.9164.6000112.3C461 F491 S492 V498 L499 L502 F510C461-L494 HydrophobicContact CB-CD2 3.63Å; C461-L494 HydrophobicContact CB-CG 4.22Å; F491-L494 HydrophobicContact CB-CD1 3.85Å; F491-L494 HydrophobicContact CB-CG 4.29Å; S492-L494 PolarHBondContact O-N 3.06Å; L494-V498 HydrophobicContact CD2-CG1 3.94Å; L494-L499 HydrophobicContact CB-CB 4.37Å; L494-L499 HydrophobicContact CD1-CD1 4.01Å; L494-L502 HydrophobicContact CD1-CD1 4Å; L494-L502 HydrophobicContact CD2-CD1 3.68Å; L494-F510 HydrophobicContact CD1-CE2 4.23Å; L494-F510 HydrophobicContact CD1-CZ 3.69Å
495Q88.4Confident85.8Confident74 Ų7456.3 Ų56.335%0.34631%0.305SS..  trans-66.9147.5171.3-64.9-171.45.700111.4H462 G493 A497 V498 L499H462-Q495 PolarHBondContact O-NE2 3.46Å; G493-Q495 PolarHBondContact O-N 3.2Å; Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 3.01Å; Q495-A497 VanDerWaalsContact O-N 3.14Å; Q495-V498 HydrophobicContact CB-CG2 4.44Å; Q495-V498 PolarHBondContact O-N 3.27Å; Q495-L499 PolarHBondContact O-N 3.42Å
496P87.4Confident86Confident99 Ų9956.7 Ų56.764%0.64332%0.317SS*.Hα-helixtrans-57.8-34.3-175.7-26.934000114.8K500P496-K500 WeakPolarHBondContact O-CG 3.48Å; P496-K500 PolarHBondContact O-N 3.45Å; P496-K500 VanDerWaalsContact O-N 3.1Å
497A86.8Confident86.3Confident64 Ų6448.2 Ų48.253%0.52928%0.28SS..Hα-helixtrans-65.7-41.6177.200000111.6Q495 V501Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 3.01Å; Q495-A497 VanDerWaalsContact O-N 3.14Å; A497-V501 WeakPolarHBondContact O-CG2 3.42Å; A497-V501 PolarHBondContact O-N 3.4Å
498V87.6Confident86Confident3 Ų355 Ų552%0.01831%0.311CS..Hα-helixtrans-72.2-42.8178.7179.70000110.9V464 I467 L494 Q495 K500 V501 L502V464-V498 HydrophobicContact CG1-CG2 4.46Å; V464-V498 WeakPolarHBondContact O-CG2 3.41Å; I467-V498 HydrophobicContact CB-CG1 4.44Å; I467-V498 HydrophobicContact CD1-CG1 3.23Å; I467-V498 HydrophobicContact CG1-CG1 3.64Å; I467-V498 HydrophobicContact CG1-CG2 4.41Å; L494-V498 HydrophobicContact CD2-CG1 3.94Å; Q495-V498 HydrophobicContact CB-CG2 4.44Å; Q495-V498 PolarHBondContact O-N 3.27Å; V498-K500 VanDerWaalsContact C-N 3.32Å; V498-K500 PolarHBondContact O-N 3.4Å; V498-V501 PolarHBondContact O-N 3.35Å; V498-V501 VanDerWaalsContact O-N 3.11Å; V498-L502 HydrophobicContact CG1-CD1 3.95Å; V498-L502 HydrophobicContact CG1-CG 4.34Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.17Å
499L87.9Confident85.6Confident36 Ų3654 Ų5419%0.18832%0.322CS..Hα-helixtrans-58.9-42.5177.4-177.863.5000111.7L494 Q495 V501 L502 L503 F510 Y512L494-L499 HydrophobicContact CB-CB 4.37Å; L494-L499 HydrophobicContact CD1-CD1 4.01Å; Q495-L499 PolarHBondContact O-N 3.42Å; L499-V501 VanDerWaalsContact C-N 3.29Å; L499-V501 PolarHBondContact O-N 3.45Å; L499-L502 PolarHBondContact O-N 3.03Å; L499-L503 HydrophobicContact CD1-CD1 4.14Å; L499-L503 HydrophobicContact CD1-CG 4.07Å; L499-L503 HydrophobicContact CD2-CD1 4.49Å; L499-L503 HydrophobicContact CG-CD1 3.89Å; L499-L503 HydrophobicContact CG-CG 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.26Å; L499-L503 VanDerWaalsContact O-CG 3.28Å; L499-L503 WeakPolarHBondContact O-CG 3.5Å; L499-L503 PolarHBondContact O-N 3.26Å; L499-F510 HydrophobicContact CD1-CE1 4.2Å; L499-F510 HydrophobicContact CD1-CZ 4.23Å; L499-Y512 HydrophobicContact CD1-CD1 4.39Å; L499-Y512 HydrophobicContact CD1-CD2 4.22Å; L499-Y512 HydrophobicContact CD1-CE1 4.45Å; L499-Y512 HydrophobicContact CD1-CE2 4.27Å; L499-Y512 HydrophobicContact CD1-CG 4.27Å; L499-Y512 HydrophobicContact CD2-CE2 4.34Å
500K88.5Confident85.5Confident157 Ų15755.2 Ų55.268%0.68333%0.327SS*.Hα-helixtrans-57.7-41.5175.3-79.3178.1-178.2-178.70112.5P496 V498 A504P496-K500 WeakPolarHBondContact O-CG 3.48Å; P496-K500 PolarHBondContact O-N 3.45Å; P496-K500 VanDerWaalsContact O-N 3.1Å; V498-K500 VanDerWaalsContact C-N 3.32Å; V498-K500 PolarHBondContact O-N 3.4Å; K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 3.17Å
501V88Confident85.4Confident60 Ų6061.1 Ų61.136%0.36435%0.349SS..Hα-helixtrans-69-43.6179.31740000110.9I472 A497 V498 L499 A504 A505I472-V501 HydrophobicContact CD1-CG1 3.52Å; I472-V501 HydrophobicContact CG1-CG1 4.48Å; A497-V501 WeakPolarHBondContact O-CG2 3.42Å; A497-V501 PolarHBondContact O-N 3.4Å; V498-V501 PolarHBondContact O-N 3.35Å; V498-V501 VanDerWaalsContact O-N 3.11Å; L499-V501 VanDerWaalsContact C-N 3.29Å; L499-V501 PolarHBondContact O-N 3.45Å; V501-A504 PolarHBondContact O-N 3.41Å; V501-A505 PolarHBondContact O-N 3.14Å; V501-A505 VanDerWaalsContact O-N 3.1Å
502L87.1Confident85.3Confident2 Ų266.3 Ų66.31%0.0137%0.369CS..Hα-helixtrans-66.6-39.3178.6-68.3171.3000112.6I467 L475 L494 V498 L499 A505 L507 F510I467-L502 HydrophobicContact CD1-CD1 4.45Å; I467-L502 HydrophobicContact CD1-CD2 4.36Å; L475-L502 HydrophobicContact CD1-CD2 4.47Å; L494-L502 HydrophobicContact CD1-CD1 4Å; L494-L502 HydrophobicContact CD2-CD1 3.68Å; V498-L502 HydrophobicContact CG1-CD1 3.95Å; V498-L502 HydrophobicContact CG1-CG 4.34Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.17Å; L499-L502 PolarHBondContact O-N 3.03Å; L502-A505 WeakPolarHBondContact O-CB 3.3Å; L502-A505 PolarHBondContact O-N 2.66Å; L502-L507 HydrophobicContact CB-CD1 4.41Å; L502-L507 HydrophobicContact CD2-CD1 3.65Å; L502-F510 HydrophobicContact CB-CE2 4.33Å; L502-F510 HydrophobicContact CB-CZ 4.04Å; L502-F510 HydrophobicContact CD1-CE2 3.94Å; L502-F510 HydrophobicContact CD1-CZ 3.97Å
503L86.8Confident85.2Confident93 Ų9367.2 Ų67.249%0.48738%0.375SS..Hα-helixtrans-66.7-38.3174.9-70.8174.2000111.7L499 A505 D506 F510L499-L503 HydrophobicContact CD1-CD1 4.14Å; L499-L503 HydrophobicContact CD1-CG 4.07Å; L499-L503 HydrophobicContact CD2-CD1 4.49Å; L499-L503 HydrophobicContact CG-CD1 3.89Å; L499-L503 HydrophobicContact CG-CG 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.26Å; L499-L503 VanDerWaalsContact O-CG 3.28Å; L499-L503 WeakPolarHBondContact O-CG 3.5Å; L499-L503 PolarHBondContact O-N 3.26Å; L503-A505 PolarHBondContact O-N 2.93Å; L503-D506 PolarHBondContact O-N 3.09Å; L503-F510 HydrophobicContact CD2-CE1 4.27Å
504A88.2Confident85Confident88 Ų8873 Ų7373%0.72740%0.403SS*.Hα-helixtrans-66.8-24.317500000113K500 V501 D506K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 3.17Å; V501-A504 PolarHBondContact O-N 3.41Å; A504-D506 VanDerWaalsContact C-N 3.34Å
505A85.6Confident84.8Confident39 Ų3973.4 Ų73.432%0.32241%0.408SS..THydrogen-bonded Turntrans-80.1-1017800000114.4I472 V501 L502 L503 L507I472-A505 HydrophobicContact CD1-CB 4.42Å; I472-A505 HydrophobicContact CG2-CB 3.48Å; I472-A505 VanDerWaalsContact CG2-CB 3.48Å; V501-A505 PolarHBondContact O-N 3.14Å; V501-A505 VanDerWaalsContact O-N 3.1Å; L502-A505 WeakPolarHBondContact O-CB 3.3Å; L502-A505 PolarHBondContact O-N 2.66Å; L503-A505 PolarHBondContact O-N 2.93Å; A505-L507 HydrophobicContact CB-CG 4.26Å; A505-L507 PolarHBondContact O-N 2.93Å
506D83.3Confident84.5Confident139 Ų13971.6 Ų71.674%0.74340%0.402SS*.THydrogen-bonded Turntrans48.153178.7-164.132.8000114.3L503 A504 Q508L503-D506 PolarHBondContact O-N 3.09Å; A504-D506 VanDerWaalsContact C-N 3.34Å; D506-Q508 PolarHBondContact O-N 3.42Å
507L82.9Confident84.2Confident12 Ų1273.8 Ų73.86%0.06340%0.404CS..  trans-67.5114.4-178.5-68.7166.7000111.5I472 T476 L479 L502 A505 G509 F510I472-L507 HydrophobicContact CG2-CD2 4.34Å; T476-L507 HydrophobicContact CG2-CD2 4.29Å; T476-L507 WeakPolarHBondContact OG1-CD2 3.49Å; L479-L507 HydrophobicContact CD1-CB 4.12Å; L479-L507 HydrophobicContact CD1-CD2 4.44Å; L502-L507 HydrophobicContact CB-CD1 4.41Å; L502-L507 HydrophobicContact CD2-CD1 3.65Å; A505-L507 HydrophobicContact CB-CG 4.26Å; A505-L507 PolarHBondContact O-N 2.93Å; L507-G509 PolarHBondContact O-N 3.26Å; L507-F510 HydrophobicContact CB-CB 3.8Å; L507-F510 HydrophobicContact CB-CG 4.4Å; L507-F510 HydrophobicContact CD1-CD2 4.22Å; L507-F510 VanDerWaalsContact O-CB 3.23Å; L507-F510 WeakPolarHBondContact O-CB 3.41Å; L507-F510 PolarHBondContact O-N 2.92Å; L507-F510 VanDerWaalsContact O-N 3.16Å
508Q74.7Confident83.9Confident159 Ų15974.9 Ų74.974%0.74340%0.398SS*.THydrogen-bonded Turntrans-64.3118.4177.8-68.6-169.12.200112.1D506D506-Q508 PolarHBondContact O-N 3.42Å
509G72.1Confident83.5Confident54 Ų5474.7 Ų74.756%0.55740%0.397SS*.THydrogen-bonded Turntrans86.911.4-179.600000114.2L507 R511L507-G509 PolarHBondContact O-N 3.26Å; G509-R511 PolarHBondContact O-N 2.87Å
510F83.4Confident83.1Confident35 Ų3575 Ų7515%0.15440%0.399CS..  trans-61.9123.8171.2-179.4-113.6000111.3F491 L494 L499 L502 L503 L507 Y512F491-F510 HydrophobicContact CB-CE2 4.2Å; F491-F510 AromaticContact CD2-CD2 3.57Å; F491-F510 HydrophobicContact CD2-CD2 3.57Å; F491-F510 AromaticContact CD2-CE2 3.44Å; F491-F510 HydrophobicContact CD2-CE2 3.44Å; F491-F510 VanDerWaalsContact CD2-CE2 3.44Å; F491-F510 AromaticContact CE2-CD2 3.71Å; F491-F510 HydrophobicContact CE2-CD2 3.71Å; F491-F510 AromaticContact CE2-CE2 3.92Å; F491-F510 HydrophobicContact CE2-CE2 3.92Å; F491-F510 HydrophobicContact CG-CD2 4.41Å; F491-F510 AromaticContact CG-CE2 3.84Å; F491-F510 HydrophobicContact CG-CE2 3.84Å; L494-F510 HydrophobicContact CD1-CE2 4.23Å; L494-F510 HydrophobicContact CD1-CZ 3.69Å; L499-F510 HydrophobicContact CD1-CE1 4.2Å; L499-F510 HydrophobicContact CD1-CZ 4.23Å; L502-F510 HydrophobicContact CB-CE2 4.33Å; L502-F510 HydrophobicContact CB-CZ 4.04Å; L502-F510 HydrophobicContact CD1-CE2 3.94Å; L502-F510 HydrophobicContact CD1-CZ 3.97Å; L503-F510 HydrophobicContact CD2-CE1 4.27Å; L507-F510 HydrophobicContact CB-CB 3.8Å; L507-F510 HydrophobicContact CB-CG 4.4Å; L507-F510 HydrophobicContact CD1-CD2 4.22Å; L507-F510 VanDerWaalsContact O-CB 3.23Å; L507-F510 WeakPolarHBondContact O-CB 3.41Å; L507-F510 PolarHBondContact O-N 2.92Å; L507-F510 VanDerWaalsContact O-N 3.16Å; F510-Y512 HydrophobicContact CD1-CD1 4.02Å; F510-Y512 AromaticContact CE1-CD1 3.42Å; F510-Y512 HydrophobicContact CE1-CD1 3.42Å; F510-Y512 VanDerWaalsContact CE1-CD1 3.42Å; F510-Y512 HydrophobicContact CE1-CE1 4.14Å; F510-Y512 HydrophobicContact CE1-CG 4.1Å; F510-Y512 HydrophobicContact CZ-CD1 4.06Å; F510-Y512 HydrophobicContact CZ-CG 4.3Å
511R83.9Confident82.7Confident131 Ų13173.8 Ų73.849%0.49440%0.395SS..  trans-126.8134.2173.5-65.2-178.1-178.5-162.6-3.8108.1M490 F491 G509M490-R511 HydrophobicContact CG-CB 3.99Å; M490-R511 HydrophobicContact SD-CB 4.01Å; F491-R511 PolarHBondContact N-O 3.42Å; G509-R511 PolarHBondContact O-N 2.87Å
512Y87.6Confident82.2Confident111 Ų11174.6 Ų74.644%0.43540%0.4SS..EExtended strand (participates in β ladder)trans-134.8151.6177.669.4-82.2000111.9F491 L499 F510F491-Y512 CarbonylContact O-C 3.07Å; F491-Y512 WeakPolarHBondContact O-CA 3.27Å; L499-Y512 HydrophobicContact CD1-CD1 4.39Å; L499-Y512 HydrophobicContact CD1-CD2 4.22Å; L499-Y512 HydrophobicContact CD1-CE1 4.45Å; L499-Y512 HydrophobicContact CD1-CE2 4.27Å; L499-Y512 HydrophobicContact CD1-CG 4.27Å; L499-Y512 HydrophobicContact CD2-CE2 4.34Å; F510-Y512 HydrophobicContact CD1-CD1 4.02Å; F510-Y512 AromaticContact CE1-CD1 3.42Å; F510-Y512 HydrophobicContact CE1-CD1 3.42Å; F510-Y512 VanDerWaalsContact CE1-CD1 3.42Å; F510-Y512 HydrophobicContact CE1-CE1 4.14Å; F510-Y512 HydrophobicContact CE1-CG 4.1Å; F510-Y512 HydrophobicContact CZ-CD1 4.06Å; F510-Y512 HydrophobicContact CZ-CG 4.3Å
513T86.3Confident81.5Confident18 Ų1874.8 Ų74.811%0.1140%0.401CS..EExtended strand (participates in β ladder)trans-131.5160.1172.260.90000110.2M490 F491 S492 G493 S515 A519M490-T513 HydrophobicContact CE-CG2 4.18Å; M490-T513 HydrophobicContact CG-CG2 4.43Å; M490-T513 HydrophobicContact SD-CG2 4.07Å; F491-T513 PolarHBondContact O-N 3.4Å; S492-T513 WeakPolarHBondContact CA-O 3.48Å; G493-T513 PolarHBondContact N-O 3.42Å; T513-S515 PolarHBondContact OG1-O 2.92Å; T513-A519 HydrophobicContact CG2-CB 4.32Å; T513-A519 WeakPolarHBondContact OG1-CB 3.49Å
514D80.6Confident80.6Confident132 Ų13272.7 Ų72.771%0.70639%0.394SS*.SBendtrans-77.7-31.9-179.4-67.4-32.9000111.3E518D514-E518 PolarHBondContact N-OE2 2.76Å
515S84.3Confident79.3Confident35 Ų3571.7 Ų71.725%0.24539%0.386CS..  trans-129.1159.5176.769.80000114.1T513 E517 E518 A519T513-S515 PolarHBondContact OG1-O 2.92Å; S515-E517 VanDerWaalsContact C-N 3.3Å; S515-E518 PolarHBondContact N-OE2 2.96Å; S515-E518 WeakPolarHBondContact OG-CB 3.43Å; S515-E518 VanDerWaalsContact OG-CG 3.23Å; S515-E518 WeakPolarHBondContact OG-CG 3.39Å; S515-E518 PolarHBondContact OG-N 3.23Å; S515-E518 VanDerWaalsContact OG-N 3.11Å; S515-E518 PolarHBondContact OG-OE2 2.61Å; S515-A519 PolarHBondContact O-N 3.45Å; S515-A519 VanDerWaalsContact O-N 3.14Å
516V81.2Confident78.1Confident37 Ų3771.7 Ų71.722%0.22438%0.384CS..Hα-helixtrans-66.6-34.2172.9-177.50000110.8V425 D460 A519 L520V425-V516 HydrophobicContact CG1-CG1 3.98Å; D460-V516 HydrophobicContact CB-CG2 3.88Å; V516-A519 WeakPolarHBondContact O-CB 3.33Å; V516-A519 PolarHBondContact O-N 3.14Å; V516-L520 HydrophobicContact CG1-CD1 4.21Å; V516-L520 HydrophobicContact CG1-CG 4.48Å; V516-L520 WeakPolarHBondContact O-CG 3.34Å; V516-L520 PolarHBondContact O-N 3.43Å
517E81.2Confident76.7Confident144 Ų14468.5 Ų68.567%0.67337%0.366SS*.Hα-helixtrans-66.8-44.1179.2-70.5154.5-177.500111.4S515 A519 L520 Q521S515-E517 VanDerWaalsContact C-N 3.3Å; E517-A519 VanDerWaalsContact C-N 3.29Å; E517-A519 PolarHBondContact O-N 3.21Å; E517-L520 PolarHBondContact O-N 2.86Å; E517-Q521 WeakPolarHBondContact O-CB 3.29Å; E517-Q521 WeakPolarHBondContact O-CG 3.41Å; E517-Q521 PolarHBondContact O-N 3.26Å
518E81.3Confident75.1Confident87 Ų8776.8 Ų76.841%0.40740%0.402SS..Hα-helixtrans-62.3-37.2171.2-75.8171.1168.200111.9D514 S515 Q521 T522D514-E518 PolarHBondContact N-OE2 2.76Å; S515-E518 PolarHBondContact N-OE2 2.96Å; S515-E518 WeakPolarHBondContact OG-CB 3.43Å; S515-E518 VanDerWaalsContact OG-CG 3.23Å; S515-E518 WeakPolarHBondContact OG-CG 3.39Å; S515-E518 PolarHBondContact OG-N 3.23Å; S515-E518 VanDerWaalsContact OG-N 3.11Å; S515-E518 PolarHBondContact OG-OE2 2.61Å; E518-Q521 PolarHBondContact O-N 3.32Å; E518-T522 WeakPolarHBondContact O-CB 3.37Å; E518-T522 PolarHBondContact O-N 3.39Å; E518-T522 PolarHBondContact O-OG1 2.92Å
519A79.4Confident73.7Confident0 Ų072.2 Ų72.20%040%0.398CS..Hα-helixtrans-61.5-46.2175.900000111.6V458 M490 T513 S515 V516 E517 T522 E523V458-A519 HydrophobicContact CG1-CB 3.84Å; V458-A519 HydrophobicContact CG2-CB 3.99Å; M490-A519 HydrophobicContact CE-CB 3.68Å; M490-A519 WeakPolarHBondContact CE-O 3.48Å; T513-A519 HydrophobicContact CG2-CB 4.32Å; T513-A519 WeakPolarHBondContact OG1-CB 3.49Å; S515-A519 PolarHBondContact O-N 3.45Å; S515-A519 VanDerWaalsContact O-N 3.14Å; V516-A519 WeakPolarHBondContact O-CB 3.33Å; V516-A519 PolarHBondContact O-N 3.14Å; E517-A519 VanDerWaalsContact C-N 3.29Å; E517-A519 PolarHBondContact O-N 3.21Å; A519-T522 PolarHBondContact O-N 3.31Å; A519-E523 PolarHBondContact O-N 2.9Å
520L79.6Confident72Confident43 Ų4379.8 Ų79.823%0.22543%0.425CS..Hα-helixtrans-67.3-38.2178-69.4171.1000112V423 V425 V516 E517 S524V423-L520 HydrophobicContact CB-CD2 3.91Å; V423-L520 HydrophobicContact CG1-CD2 4.24Å; V423-L520 HydrophobicContact CG2-CD2 4.44Å; V425-L520 HydrophobicContact CG2-CD2 4.04Å; V516-L520 HydrophobicContact CG1-CD1 4.21Å; V516-L520 HydrophobicContact CG1-CG 4.48Å; V516-L520 WeakPolarHBondContact O-CG 3.34Å; V516-L520 PolarHBondContact O-N 3.43Å; E517-L520 PolarHBondContact O-N 2.86Å; L520-S524 VanDerWaalsContact O-CB 3.32Å; L520-S524 WeakPolarHBondContact O-CB 3.38Å; L520-S524 PolarHBondContact O-N 3.43Å; L520-S524 PolarHBondContact O-OG 3.24Å
521Q78.6Confident71.4Confident131 Ų13182 Ų8261%0.61244%0.439SS*.Hα-helixtrans-65.2-41.9174.5-74.917910.100112.1E517 E518 S524 A525E517-Q521 WeakPolarHBondContact O-CB 3.29Å; E517-Q521 WeakPolarHBondContact O-CG 3.41Å; E517-Q521 PolarHBondContact O-N 3.26Å; E518-Q521 PolarHBondContact O-N 3.32Å; Q521-S524 VanDerWaalsContact CA-OG 3.3Å; Q521-S524 WeakPolarHBondContact CA-OG 3.48Å; Q521-S524 PolarHBondContact O-N 3.48Å; Q521-S524 PolarHBondContact O-OG 2.97Å; Q521-A525 VanDerWaalsContact O-CB 3.26Å; Q521-A525 WeakPolarHBondContact O-CB 3.32Å; Q521-A525 PolarHBondContact O-N 2.92Å
522T77.4Confident70.8Confident77 Ų7779.4 Ų79.447%0.47244%0.436SS..Hα-helixtrans-65.8-40.1178.8-53.10000111.3E518 A519 S526E518-T522 WeakPolarHBondContact O-CB 3.37Å; E518-T522 PolarHBondContact O-N 3.39Å; E518-T522 PolarHBondContact O-OG1 2.92Å; A519-T522 PolarHBondContact O-N 3.31Å; T522-S526 PolarHBondContact O-N 2.95Å; T522-S526 VanDerWaalsContact O-N 3.16Å
523E73.7Confident69.8Low6 Ų677.7 Ų77.73%0.02844%0.436CS..Hα-helixtrans-72.6-42.2176.9-76.5-66.8169.100112.5V423 S456 K488 M490 A519 S526 L527V423-E523 HydrophobicContact CG2-CB 4.04Å; S456-E523 WeakPolarHBondContact CB-OE2 3.41Å; S456-E523 PolarHBondContact OG-OE1 3.14Å; K488-E523 VanDerWaalsContact CD-OE1 3.31Å; K488-E523 WeakPolarHBondContact CD-OE1 3.06Å; K488-E523 IonicContact NZ-OE2 3.81Å; M490-E523 HydrophobicContact CE-CG 3.93Å; A519-E523 PolarHBondContact O-N 2.9Å; E523-S526 CarbonylContact O-C 3.49Å; E523-S526 PolarHBondContact O-N 3.29Å; E523-S526 VanDerWaalsContact O-N 3.15Å; E523-S526 PolarHBondContact O-OG 3.08Å; E523-S526 PolarHBondContact OE2-OG 3.32Å; E523-L527 WeakPolarHBondContact O-CG 3.37Å; E523-L527 PolarHBondContact O-N 2.91Å
524S66.9Low68.9Low49 Ų4981.2 Ų81.234%0.34346%0.455SS..Hα-helixtrans-63.5-40.217553.20000112.4L520 Q521 S526 L527 F528L520-S524 VanDerWaalsContact O-CB 3.32Å; L520-S524 WeakPolarHBondContact O-CB 3.38Å; L520-S524 PolarHBondContact O-N 3.43Å; L520-S524 PolarHBondContact O-OG 3.24Å; Q521-S524 VanDerWaalsContact CA-OG 3.3Å; Q521-S524 WeakPolarHBondContact CA-OG 3.48Å; Q521-S524 PolarHBondContact O-N 3.48Å; Q521-S524 PolarHBondContact O-OG 2.97Å; S524-S526 VanDerWaalsContact C-N 3.28Å; S524-S526 PolarHBondContact O-N 3.12Å; S524-L527 WeakPolarHBondContact O-CB 3.44Å; S524-L527 PolarHBondContact O-N 2.93Å; S524-L527 VanDerWaalsContact O-N 3.07Å; S524-F528 WeakPolarHBondContact O-CD2 3.5Å; S524-F528 PolarHBondContact O-N 3.41Å
525A61.5Low68.1Low67 Ų6778 Ų7855%0.55444%0.44SS*.Hα-helixtrans-61.2-37.2172.200000112.2Q521 L527 F528 G529Q521-A525 VanDerWaalsContact O-CB 3.26Å; Q521-A525 WeakPolarHBondContact O-CB 3.32Å; Q521-A525 PolarHBondContact O-N 2.92Å; A525-L527 VanDerWaalsContact C-N 3.28Å; A525-L527 PolarHBondContact O-N 3.5Å; A525-F528 PolarHBondContact O-N 3.04Å; A525-G529 PolarHBondContact O-N 3.49Å
526S60.4Low67.1Low38 Ų3880.9 Ų80.927%0.26645%0.453SS..Hα-helixtrans-72.9-18.2175.282.10000114.1K488 T522 E523 S524K488-S526 PolarHBondContact NZ-OG 3.39Å; T522-S526 PolarHBondContact O-N 2.95Å; T522-S526 VanDerWaalsContact O-N 3.16Å; E523-S526 CarbonylContact O-C 3.49Å; E523-S526 PolarHBondContact O-N 3.29Å; E523-S526 VanDerWaalsContact O-N 3.15Å; E523-S526 PolarHBondContact O-OG 3.08Å; E523-S526 PolarHBondContact OE2-OG 3.32Å; S524-S526 VanDerWaalsContact C-N 3.28Å; S524-S526 PolarHBondContact O-N 3.12Å
527L53.6Low66Low73 Ų7384 Ų8438%0.38247%0.469SS..Hα-helixtrans-82.2-23.3175.9-78.6160.3000113.2E523 S524 A525E523-L527 WeakPolarHBondContact O-CG 3.37Å; E523-L527 PolarHBondContact O-N 2.91Å; S524-L527 WeakPolarHBondContact O-CB 3.44Å; S524-L527 PolarHBondContact O-N 2.93Å; S524-L527 VanDerWaalsContact O-N 3.07Å; A525-L527 VanDerWaalsContact C-N 3.28Å; A525-L527 PolarHBondContact O-N 3.5Å
528F49.4Very low64.9Low185 Ų18579.4 Ų79.481%0.81145%0.453SS*.SBendtrans-100.60.1178.6-69.3-71.3000113.9S524 A525S524-F528 WeakPolarHBondContact O-CD2 3.5Å; S524-F528 PolarHBondContact O-N 3.41Å; A525-F528 PolarHBondContact O-N 3.04Å
529G44.7Very low63.5Low64 Ų6478.8 Ų78.866%0.6646%0.457SS*.  trans-106.5-2.3-173.600000116.6A525A525-G529 PolarHBondContact O-N 3.49Å
530D37.1Very low62.1Low212 Ų21285.9 Ų85.9100%1.13450%0.499SS*.  trans-1100170.7-74.6-24.4000109.4

Retrieved 530 of 530 residues in 1047.6 ms (Link to these results)

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