A0A087XKS5_POEFO Loading...

Band 4.1-like protein 5

Plays a role in the formation and organization of tight junctions during the establishment of polarity in epithelial cells.

AlphaFold DB , UniProt , Accession A0A087XKS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 778 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
1M55.2Low57.7Low199 Ų199134.5 Ų134.598%0.9864%0.638SS**  0-56.60-61.9-175.8-16100113.6S3 F4 L5M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.12Å; M1-F4 WeakPolarHBondContact O-CA 3.32Å; M1-F4 WeakPolarHBondContact O-CB 3.44Å; M1-F4 PolarHBondContact O-N 3.29Å; M1-L5 PolarHBondContact O-N 2.76Å
2L55.1Low58Low145 Ų145139.2 Ų139.276%0.75965%0.645SS**Hα-helixtrans-51.6-37.8-173.8-70.5167.3000115.5F4 L5 R6L2-F4 VanDerWaalsContact C-N 3.34Å; L2-F4 PolarHBondContact O-N 3.38Å; L2-L5 PolarHBondContact O-N 3.17Å; L2-R6 PolarHBondContact O-N 3.24Å
3S54.8Low58.7Low87 Ų87134.5 Ų134.561%0.60864%0.637SS**Hα-helixtrans-62.5-35.8174.849.80000113.6M1 R7M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.37Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-R7 WeakPolarHBondContact O-CG 3.37Å; S3-R7 PolarHBondContact O-N 3.36Å; S3-R7 VanDerWaalsContact O-N 3.14Å
4F57.8Low59.5Low147 Ų147133.5 Ų133.565%0.64564%0.636SS**Hα-helixtrans-71.5-44.2176.8-163.5-95.2000110.8M1 L2 R6 R7 T8M1-F4 WeakPolarHBondContact O-CA 3.32Å; M1-F4 WeakPolarHBondContact O-CB 3.44Å; M1-F4 PolarHBondContact O-N 3.29Å; L2-F4 VanDerWaalsContact C-N 3.34Å; L2-F4 PolarHBondContact O-N 3.38Å; F4-R6 PolarHBondContact O-N 3.2Å; F4-R7 PolarHBondContact O-N 3.22Å; F4-R7 VanDerWaalsContact O-N 3.13Å; F4-T8 HydrophobicContact CD1-CG2 3.95Å; F4-T8 HydrophobicContact CE1-CG2 3.73Å; F4-T8 HydrophobicContact CZ-CG2 4.27Å; F4-T8 PolarHBondContact O-N 2.68Å; F4-T8 PolarHBondContact O-OG1 3.15Å
5L56Low60.2Low91 Ų91137.5 Ų137.548%0.47664%0.642SS.*Hα-helixtrans-60.7-42.7174.6-73.4167.3000112.2M1 L2 R7 T8 L9M1-L5 PolarHBondContact O-N 2.76Å; L2-L5 PolarHBondContact O-N 3.17Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 2.9Å; L5-T8 PolarHBondContact O-N 2.79Å; L5-T8 PolarHBondContact O-OG1 3.44Å; L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.39Å
6R58Low60.9Low214 Ų214138.1 Ų138.181%0.80864%0.642SS**Hα-helixtrans-59.3-43.1171.8-83-169.4174.4-170.8-0.1112L2 F4 G10L2-R6 PolarHBondContact O-N 3.24Å; F4-R6 PolarHBondContact O-N 3.2Å; R6-G10 WeakPolarHBondContact O-CA 3.31Å; R6-G10 PolarHBondContact O-N 3.38Å
7R59.8Low61.6Low196 Ų196137.1 Ų137.174%0.7464%0.637SS**Hα-helixtrans-67.6-41.8179.2-78.8179.6169.8174.4-2.9113.1S3 F4 L5 R11S3-R7 WeakPolarHBondContact O-CG 3.37Å; S3-R7 PolarHBondContact O-N 3.36Å; S3-R7 VanDerWaalsContact O-N 3.14Å; F4-R7 PolarHBondContact O-N 3.22Å; F4-R7 VanDerWaalsContact O-N 3.13Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 2.9Å; R7-R11 WeakPolarHBondContact O-CB 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.32Å; R7-R11 PolarHBondContact O-N 2.9Å; R7-R11 VanDerWaalsContact O-N 3.08Å
8T58.5Low62.2Low59 Ų59132.5 Ų132.536%0.36263%0.627SS.*Hα-helixtrans-75.9-43.3-17955.90000112.7F4 L5 R11 R12F4-T8 HydrophobicContact CD1-CG2 3.95Å; F4-T8 HydrophobicContact CE1-CG2 3.73Å; F4-T8 HydrophobicContact CZ-CG2 4.27Å; F4-T8 PolarHBondContact O-N 2.68Å; F4-T8 PolarHBondContact O-OG1 3.15Å; L5-T8 PolarHBondContact O-N 2.79Å; L5-T8 PolarHBondContact O-OG1 3.44Å; T8-R11 PolarHBondContact O-N 2.74Å; T8-R12 PolarHBondContact O-N 3.19Å
9L57.5Low62.9Low111 Ų111131.1 Ų131.158%0.58162%0.62SS**Hα-helixtrans-66.9-39.5174.6-65.2172.8000111.4L5 R12 S13L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.39Å; L9-R12 PolarHBondContact O-N 3.17Å; L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 3.22Å
10G61.1Low63.4Low29 Ų29130.7 Ų130.730%0.29962%0.616SS.*Hα-helixtrans-58.5-50.6173.500000112.3R6 R12 S13 I14R6-G10 WeakPolarHBondContact O-CA 3.31Å; R6-G10 PolarHBondContact O-N 3.38Å; G10-R12 PolarHBondContact O-N 3.49Å; G10-S13 WeakPolarHBondContact O-CB 3.35Å; G10-S13 PolarHBondContact O-N 2.92Å; G10-S13 VanDerWaalsContact O-N 3.15Å; G10-I14 WeakPolarHBondContact O-CG1 3.36Å; G10-I14 PolarHBondContact O-N 2.94Å
11R60.5Low63.9Low202 Ų202126.8 Ų126.876%0.76260%0.6SS**Hα-helixtrans-61.3-39.7175.9-77-179.2172.1-172.6-3.2112.9R7 T8 R15R7-R11 WeakPolarHBondContact O-CB 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.32Å; R7-R11 PolarHBondContact O-N 2.9Å; R7-R11 VanDerWaalsContact O-N 3.08Å; T8-R11 PolarHBondContact O-N 2.74Å; R11-R15 WeakPolarHBondContact O-CB 3.46Å; R11-R15 PolarHBondContact O-N 2.9Å
12R61.4Low64.8Low190 Ų190126.5 Ų126.572%0.71759%0.588SS**Hα-helixtrans-64.6-38.7172.9-100.2-176.1169.7-176.1-2.4112.5T8 L9 G10 K16T8-R12 PolarHBondContact O-N 3.19Å; L9-R12 PolarHBondContact O-N 3.17Å; G10-R12 PolarHBondContact O-N 3.49Å; R12-K16 WeakPolarHBondContact O-CB 3.16Å; R12-K16 WeakPolarHBondContact O-CG 3.27Å; R12-K16 PolarHBondContact O-N 3.46Å
13S66.9Low65.8Low78 Ų78124.7 Ų124.755%0.54558%0.579SS.*Hα-helixtrans-66.2-49.3177.4-172.20000111.7L9 G10 R15 K16 H17L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 3.22Å; G10-S13 WeakPolarHBondContact O-CB 3.35Å; G10-S13 PolarHBondContact O-N 2.92Å; G10-S13 VanDerWaalsContact O-N 3.15Å; S13-R15 PolarHBondContact O-N 3.39Å; S13-K16 PolarHBondContact O-N 3.01Å; S13-H17 PolarHBondContact O-N 3.48Å
14I70.1Confident66.6Low121 Ų121122.9 Ų122.962%0.62156%0.559SS**Hα-helixtrans-60.3-45.6177.6-66.1163.1000110.7G10 K16 H17 A18G10-I14 WeakPolarHBondContact O-CG1 3.36Å; G10-I14 PolarHBondContact O-N 2.94Å; I14-K16 PolarHBondContact O-N 3.22Å; I14-H17 PolarHBondContact O-N 3.24Å; I14-H17 VanDerWaalsContact O-N 3.15Å; I14-A18 PolarHBondContact O-N 2.86Å
15R71.1Confident67.3Low194 Ų194120.3 Ų120.373%0.73255%0.549SS*.Hα-helixtrans-60.5-47.1176.9-174.8170.6175.6164.2-0.5111.7R11 S13 H17 A18 E19R11-R15 WeakPolarHBondContact O-CB 3.46Å; R11-R15 PolarHBondContact O-N 2.9Å; S13-R15 PolarHBondContact O-N 3.39Å; R15-H17 VanDerWaalsContact C-N 3.27Å; R15-H17 PolarHBondContact O-N 2.97Å; R15-A18 PolarHBondContact O-N 3.5Å; R15-E19 WeakPolarHBondContact O-CB 3.08Å; R15-E19 PolarHBondContact O-N 2.78Å
16K71.1Confident68.2Low146 Ų146120.1 Ų120.164%0.63556%0.561SS**Hα-helixtrans-62.3-31.9174.8-77.6-171.5172.9-163.80113.1R12 S13 I14 K20R12-K16 WeakPolarHBondContact O-CB 3.16Å; R12-K16 WeakPolarHBondContact O-CG 3.27Å; R12-K16 PolarHBondContact O-N 3.46Å; S13-K16 PolarHBondContact O-N 3.01Å; I14-K16 PolarHBondContact O-N 3.22Å; K16-K20 WeakPolarHBondContact O-CB 3.43Å; K16-K20 PolarHBondContact O-N 2.83Å
17H71.8Confident69Low122 Ų122114 Ų11457%0.56554%0.541SS*.Hα-helixtrans-71.1-47.8175.2-164.7-70.5000111.4S13 I14 R15 E19 K20 T21S13-H17 PolarHBondContact O-N 3.48Å; I14-H17 PolarHBondContact O-N 3.24Å; I14-H17 VanDerWaalsContact O-N 3.15Å; R15-H17 VanDerWaalsContact C-N 3.27Å; R15-H17 PolarHBondContact O-N 2.97Å; H17-E19 PolarHBondContact O-N 2.97Å; H17-K20 CarbonylContact O-C 3.12Å; H17-K20 PolarHBondContact O-N 2.84Å; H17-T21 PolarHBondContact O-N 3.03Å; H17-T21 PolarHBondContact O-OG1 3.23Å
18A72.6Confident70Confident54 Ų54107.6 Ų107.645%0.44652%0.517SS..Hα-helixtrans-63.5-39.717800000112.5I14 R15 T21 R22I14-A18 PolarHBondContact O-N 2.86Å; R15-A18 PolarHBondContact O-N 3.5Å; A18-T21 PolarHBondContact O-N 3.11Å; A18-R22 PolarHBondContact O-N 2.97Å
19E75.4Confident71.3Confident105 Ų105105.5 Ų105.549%0.49151%0.505SS..Hα-helixtrans-61.5-45.7172.6-178.3173-153.100111.6R15 H17 T21 R22 L23R15-E19 WeakPolarHBondContact O-CB 3.08Å; R15-E19 PolarHBondContact O-N 2.78Å; H17-E19 PolarHBondContact O-N 2.97Å; E19-T21 PolarHBondContact O-N 2.87Å; E19-R22 PolarHBondContact O-N 2.97Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 2.84Å
20K73.8Confident72.6Confident124 Ų124107.5 Ų107.554%0.53952%0.522SS..Hα-helixtrans-67.2-31.9174.2-177.6177.1178.8179.90113.4K16 H17 R24K16-K20 WeakPolarHBondContact O-CB 3.43Å; K16-K20 PolarHBondContact O-N 2.83Å; H17-K20 CarbonylContact O-C 3.12Å; H17-K20 PolarHBondContact O-N 2.84Å; K20-R24 WeakPolarHBondContact O-CG 3.03Å; K20-R24 PolarHBondContact O-N 3.38Å
21T73.3Confident74.1Confident48 Ų48108.5 Ų108.529%0.29452%0.523SS..Hα-helixtrans-63.4-58.9169.5-63.80000108.6H17 A18 E19 L23 R24 E25H17-T21 PolarHBondContact O-N 3.03Å; H17-T21 PolarHBondContact O-OG1 3.23Å; A18-T21 PolarHBondContact O-N 3.11Å; E19-T21 PolarHBondContact O-N 2.87Å; T21-L23 VanDerWaalsContact C-N 3.28Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-L23 VanDerWaalsContact O-N 3.17Å; T21-R24 WeakPolarHBondContact O-CA 3.24Å; T21-R24 VanDerWaalsContact O-CB 3.29Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; T21-E25 HydrophobicContact CG2-CG 4.01Å; T21-E25 WeakPolarHBondContact O-CG 3.45Å; T21-E25 PolarHBondContact O-N 3.21Å
22R74.8Confident75.6Confident194 Ų194102.1 Ų102.173%0.73250%0.501SS*.Hα-helixtrans-49.6-44.1179.1-90.2-173.2160-164.5-7.1113.8A18 E19 R24 E25 A26A18-R22 PolarHBondContact O-N 2.97Å; E19-R22 PolarHBondContact O-N 2.97Å; R22-R24 VanDerWaalsContact C-N 3.28Å; R22-R24 PolarHBondContact O-N 3.2Å; R22-E25 PolarHBondContact O-N 3Å; R22-E25 VanDerWaalsContact O-N 3.16Å; R22-A26 WeakPolarHBondContact O-CB 3.31Å; R22-A26 PolarHBondContact O-N 2.75Å
23L74.9Confident77.2Confident107 Ų10794.2 Ų94.256%0.5647%0.473SS*.Hα-helixtrans-61.5-33.4176.5-75.8166.8000113.2E19 T21 Q27E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 2.84Å; T21-L23 VanDerWaalsContact C-N 3.28Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-L23 VanDerWaalsContact O-N 3.17Å; L23-Q27 VanDerWaalsContact O-CG 3.22Å; L23-Q27 WeakPolarHBondContact O-CG 3.44Å; L23-Q27 PolarHBondContact O-N 3.49Å; L23-Q27 PolarHBondContact O-OE1 3.03Å
24R71.9Confident78.4Confident48 Ų4895 Ų9518%0.18148%0.476CS..Hα-helixtrans-72.6-39.6172.4-69.9165.7151.6-162-17.8112K20 T21 R22 A26 Q27 R28 I42K20-R24 WeakPolarHBondContact O-CG 3.03Å; K20-R24 PolarHBondContact O-N 3.38Å; T21-R24 WeakPolarHBondContact O-CA 3.24Å; T21-R24 VanDerWaalsContact O-CB 3.29Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; R22-R24 VanDerWaalsContact C-N 3.28Å; R22-R24 PolarHBondContact O-N 3.2Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-Q27 CarbonylContact O-C 3.55Å; R24-Q27 WeakPolarHBondContact O-CA 3.36Å; R24-Q27 PolarHBondContact O-N 3.1Å; R24-R28 PolarHBondContact O-N 3.24Å; R24-R28 VanDerWaalsContact O-N 3.14Å; R24-I42 VanDerWaalsContact NH1-CG1 3.25Å; R24-I42 PolarHBondContact NH2-O 3.47Å
25E73.6Confident79.5Confident93 Ų9390.7 Ų90.744%0.43546%0.459SS..Hα-helixtrans-66.4-40.6-178.7-36.2-155100.200110.4T21 R22 Q27 R28T21-E25 HydrophobicContact CG2-CG 4.01Å; T21-E25 WeakPolarHBondContact O-CG 3.45Å; T21-E25 PolarHBondContact O-N 3.21Å; R22-E25 PolarHBondContact O-N 3Å; R22-E25 VanDerWaalsContact O-N 3.16Å; E25-Q27 PolarHBondContact O-N 3.11Å; E25-R28 WeakPolarHBondContact O-CB 3.23Å; E25-R28 PolarHBondContact O-N 3.08Å; E25-R28 IonicContact OE1-CZ 2.8Å; E25-R28 IonicContact OE1-NH1 3.52Å; E25-R28 PolarHBondContact OE1-NH1 2.89Å; E25-R28 IonicContact OE1-NH2 3.74Å
26A73.9Confident80.3Confident88 Ų8882.2 Ų82.273%0.72743%0.43SS*.THydrogen-bonded Turntrans-66.9-11.4171.400000114.5R22 R24R22-A26 WeakPolarHBondContact O-CB 3.31Å; R22-A26 PolarHBondContact O-N 2.75Å; R24-A26 VanDerWaalsContact C-N 3.34Å
27Q74.8Confident81.2Confident85 Ų8578.4 Ų78.440%0.39743%0.432SS..THydrogen-bonded Turntrans-104.7-1.7175.8-74.1177.8-27.400113.2L23 R24 E25 P113L23-Q27 VanDerWaalsContact O-CG 3.22Å; L23-Q27 WeakPolarHBondContact O-CG 3.44Å; L23-Q27 PolarHBondContact O-N 3.49Å; L23-Q27 PolarHBondContact O-OE1 3.03Å; R24-Q27 CarbonylContact O-C 3.55Å; R24-Q27 WeakPolarHBondContact O-CA 3.36Å; R24-Q27 PolarHBondContact O-N 3.1Å; E25-Q27 PolarHBondContact O-N 3.11Å; Q27-P113 HydrophobicContact CB-CG 4.49Å
28R81.6Confident81.9Confident62 Ų6280.6 Ų80.623%0.23445%0.448CS..SBendtrans-71.7146.9171.1-70.3175.8-179.1135.5-1.3110R24 E25 H32 D58R24-R28 PolarHBondContact O-N 3.24Å; R24-R28 VanDerWaalsContact O-N 3.14Å; E25-R28 WeakPolarHBondContact O-CB 3.23Å; E25-R28 PolarHBondContact O-N 3.08Å; E25-R28 IonicContact OE1-CZ 2.8Å; E25-R28 IonicContact OE1-NH1 3.52Å; E25-R28 PolarHBondContact OE1-NH1 2.89Å; E25-R28 IonicContact OE1-NH2 3.74Å; R28-H32 PolarHBondContact NE-CD2 3.03Å; R28-H32 PolarHBondContact NE-NE2 3.28Å; R28-D58 IonicContact CZ-OD2 3.83Å; R28-D58 IonicContact NE-OD2 3.58Å; R28-D58 PolarHBondContact NE-OD2 3.33Å; R28-D58 IonicContact NH2-OD2 3.78Å; R28-D58 PolarHBondContact NH2-OD2 2.84Å
29A85Confident82.6Confident14 Ų1479.6 Ų79.612%0.11644%0.44CS..  trans-75.6165.9162.800000110.8T31 D54 S56A29-T31 PolarHBondContact O-N 3.48Å; A29-D54 HydrophobicContact CB-CB 3.46Å; A29-D54 VanDerWaalsContact CB-CB 3.46Å; A29-D54 WeakPolarHBondContact CB-O 3.41Å; A29-S56 PolarHBondContact N-OG 2.81Å
30T84.9Confident82.9Confident153 Ų15381.6 Ų81.694%0.93946%0.46SS*.SBendtrans-53.2-39.4-178.1-42.40000112.9
31T91.8Very high83.7Confident50 Ų5078.2 Ų78.231%0.30745%0.452SS..EExtended strand (participates in β ladder)trans-91.1120.3174.4-52.10000110A29 V55 S56A29-T31 PolarHBondContact O-N 3.48Å; T31-V55 HydrophobicContact CG2-CG1 4.18Å; T31-V55 HydrophobicContact CG2-CG2 4.18Å; T31-S56 PolarHBondContact O-N 3.24Å
32H92.9Very high84.5Confident68 Ų6878 Ų7832%0.31545%0.448SS..EExtended strand (participates in β ladder)trans-122.2134.6179.6176.5-119.8000112R28 S56 D58R28-H32 PolarHBondContact NE-CD2 3.03Å; R28-H32 PolarHBondContact NE-NE2 3.28Å; H32-S56 CarbonylContact C-O 3.59Å; H32-S56 VanDerWaalsContact CA-O 3.32Å; H32-S56 WeakPolarHBondContact CA-O 3.16Å; H32-S56 PolarHBondContact CD2-O 2.87Å; H32-D58 IonicContact CD2-OD2 3.91Å; H32-D58 IonicContact CE1-OD2 3.64Å; H32-D58 IonicContact NE2-OD2 2.63Å; H32-D58 PolarHBondContact NE2-OD2 3.48Å
33I94.1Very high85.4Confident25 Ų2569.1 Ų69.113%0.12842%0.415CS..EExtended strand (participates in β ladder)trans-118.7108.3177.3-54-179000108.6A35 V55 S56 V57 D58 H75I33-A35 HydrophobicContact CG2-CB 4.09Å; I33-A35 PolarHBondContact O-N 3.43Å; I33-V55 HydrophobicContact CD1-CG1 3.68Å; I33-V55 HydrophobicContact CG1-CG1 3.96Å; I33-S56 PolarHBondContact N-O 2.94Å; I33-V57 HydrophobicContact CB-CG1 4.18Å; I33-V57 HydrophobicContact CB-CG2 4.32Å; I33-V57 HydrophobicContact CD1-CG2 4.27Å; I33-V57 HydrophobicContact CG2-CG1 4.33Å; I33-V57 WeakPolarHBondContact O-CA 3.47Å; I33-D58 PolarHBondContact O-N 3.42Å; I33-H75 HydrophobicContact CD1-CB 3.73Å
34P92.3Very high86.3Confident94 Ų9464.2 Ų64.261%0.6139%0.389SS*.  trans-81.251.1-179.133.8-36.4000112.9A36P34-A36 PolarHBondContact O-N 2.65Å
35A93Very high87.4Confident31 Ų3161.9 Ų61.926%0.25638%0.381SS..THydrogen-bonded Turntrans-68.919.2-177.400000115.4I33 V57 D58 L59 Q71I33-A35 HydrophobicContact CG2-CB 4.09Å; I33-A35 PolarHBondContact O-N 3.43Å; A35-V57 HydrophobicContact CB-CG1 3.87Å; A35-D58 CarbonylContact C-O 3.56Å; A35-D58 WeakPolarHBondContact CA-O 3.21Å; A35-D58 PolarHBondContact N-O 3.02Å; A35-D58 VanDerWaalsContact N-O 3.11Å; A35-L59 HydrophobicContact CB-CD2 3.75Å; A35-Q71 HydrophobicContact CB-CG 3.84Å
36A89.2Confident88.5Confident15 Ų1561.5 Ų61.512%0.12438%0.375CS..THydrogen-bonded Turntrans-89.5-24-178.400000114P34 A39 I42 D58P34-A36 PolarHBondContact O-N 2.65Å; A36-A39 WeakPolarHBondContact O-CB 3.31Å; A36-A39 PolarHBondContact O-N 3.4Å; A36-I42 HydrophobicContact CB-CB 4.34Å; A36-I42 HydrophobicContact CB-CG2 3.5Å; A36-I42 VanDerWaalsContact CB-CG2 3.5Å; A36-D58 HydrophobicContact CB-CB 4.49Å; A36-D58 PolarHBondContact N-O 2.95Å
37G88.9Confident89.6Confident66 Ų6657.3 Ų57.368%0.6834%0.341SS*.THydrogen-bonded Turntrans52.8-143.7-168.500000112A39G37-A39 PolarHBondContact O-N 3.37Å
38D86.6Confident90.7Very high168 Ų16854.4 Ų54.490%0.89833%0.33SS*.THydrogen-bonded Turntrans-73.415.6-178.9-50.5-58.4000114.5T40D38-T40 PolarHBondContact O-N 2.84Å
39A88.4Confident91.4Very high33 Ų3351.7 Ų51.727%0.27332%0.32SS..  trans-69.6100.7-174.500000112.4A36 G37 S41 I42 P60A36-A39 WeakPolarHBondContact O-CB 3.31Å; A36-A39 PolarHBondContact O-N 3.4Å; G37-A39 PolarHBondContact O-N 3.37Å; A39-S41 PolarHBondContact O-N 3.25Å; A39-I42 HydrophobicContact CB-CG2 4.46Å; A39-I42 WeakPolarHBondContact O-CG2 3.43Å; A39-P60 HydrophobicContact CB-CB 4.02Å; A39-P60 HydrophobicContact CB-CG 4.07Å
40T82.2Confident91.9Very high148 Ų14851.2 Ų51.291%0.90832%0.315SS*.SBendtrans-53.2-7.4175.660.30000116.2D38D38-T40 PolarHBondContact O-N 2.84Å
41S88.9Confident92.3Very high53 Ų5346.2 Ų46.237%0.37128%0.283SS..SBendtrans-140.790.7178.1-160.60000110.8A39 K61A39-S41 PolarHBondContact O-N 3.25Å; S41-K61 WeakPolarHBondContact O-CB 3.48Å; S41-K61 PolarHBondContact O-N 3.33Å; S41-K61 WeakPolarHBondContact OG-CD 3.25Å
42I91.6Very high92.2Very high43 Ų4346.6 Ų46.622%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-92.5155.7-179.273.1-177.2000113.4R24 A36 A39 D58 L59R24-I42 VanDerWaalsContact NH1-CG1 3.25Å; R24-I42 PolarHBondContact NH2-O 3.47Å; A36-I42 HydrophobicContact CB-CB 4.34Å; A36-I42 HydrophobicContact CB-CG2 3.5Å; A36-I42 VanDerWaalsContact CB-CG2 3.5Å; A39-I42 HydrophobicContact CB-CG2 4.46Å; A39-I42 WeakPolarHBondContact O-CG2 3.43Å; I42-D58 HydrophobicContact CD1-CB 4.26Å; I42-L59 CarbonylContact C-O 3.57Å; I42-L59 VanDerWaalsContact CA-O 3.23Å; I42-L59 WeakPolarHBondContact CA-O 3.38Å
43I93.1Very high92.2Very high8 Ų844.7 Ų44.74%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-117.2150.8162.154.8172.4000109.1D58 L59 K61 I104 Y114I43-D58 WeakPolarHBondContact O-CA 3.42Å; I43-L59 HydrophobicContact CG1-CB 4.22Å; I43-L59 WeakPolarHBondContact CG1-O 3.39Å; I43-L59 PolarHBondContact N-O 3.2Å; I43-L59 PolarHBondContact O-N 2.77Å; I43-K61 HydrophobicContact CG2-CB 4.12Å; I43-K61 HydrophobicContact CG2-CG 4.32Å; I43-I104 HydrophobicContact CD1-CB 4.35Å; I43-I104 HydrophobicContact CD1-CD1 4.37Å; I43-Y114 HydrophobicContact CB-CD2 4.18Å; I43-Y114 HydrophobicContact CB-CE2 3.96Å; I43-Y114 HydrophobicContact CG2-CE2 3.86Å
44T93.6Very high92.3Very high3 Ų345.4 Ų45.42%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-113.9124.2-179.4-44.60000108.3D58 Y114T44-D58 WeakPolarHBondContact CA-OD1 3.18Å; T44-D58 VanDerWaalsContact CB-OD1 3.26Å; T44-D58 WeakPolarHBondContact CB-OD1 3.15Å; T44-D58 WeakPolarHBondContact CG2-OD1 3.29Å; T44-D58 PolarHBondContact OG1-OD1 3.48Å; T44-Y114 PolarHBondContact O-N 2.98Å
45C96.1Very high92.4Very high0 Ų041 Ų410%027%0.265CS..EExtended strand (participates in β ladder)trans-113.6120.3178.5-70.50000109.1S56 V57 L68 Y114 L116C45-S56 CarbonylContact O-C 3.52Å; C45-S56 WeakPolarHBondContact O-CA 3.4Å; C45-V57 PolarHBondContact N-O 3.42Å; C45-V57 PolarHBondContact O-N 3.49Å; C45-L68 HydrophobicContact CB-CD1 3.82Å; C45-L68 HydrophobicContact CB-CD2 3.89Å; C45-Y114 CarbonylContact C-O 3.5Å; C45-Y114 VanDerWaalsContact CA-O 3.3Å; C45-Y114 WeakPolarHBondContact CA-O 3.34Å; C45-L116 HydrophobicContact CB-CD1 4.33Å
46R96.1Very high92.6Very high84 Ų8439.5 Ų39.532%0.31725%0.253SS..EExtended strand (participates in β ladder)trans-97.8117.4174.1-175.4169.7174.6162-6.8107.5D54 P113 Y114 C115 L116R46-D54 HydrophobicContact CG-CB 4.23Å; R46-D54 IonicContact CZ-OD2 2.75Å; R46-D54 IonicContact NE-OD2 3.18Å; R46-D54 PolarHBondContact NE-OD2 2.74Å; R46-D54 IonicContact NH2-OD2 2.74Å; R46-D54 PolarHBondContact NH2-OD2 3.18Å; R46-P113 HydrophobicContact CB-CB 4.38Å; R46-Y114 PolarHBondContact N-O 3.33Å; R46-C115 CarbonylContact O-C 3.56Å; R46-C115 WeakPolarHBondContact O-CA 3.37Å; R46-L116 PolarHBondContact O-N 3.46Å
47V97.3Very high92.9Very high0 Ų038.8 Ų38.80%025%0.247CC..EExtended strand (participates in β ladder)trans-112.3115-177.2-175.10000108.6L49 D54 V55 L68 I72 L86 L116 M118V47-L49 HydrophobicContact CG1-CD2 4.08Å; V47-D54 WeakPolarHBondContact O-CA 3.5Å; V47-V55 PolarHBondContact N-O 3.25Å; V47-V55 PolarHBondContact O-N 3.23Å; V47-L68 HydrophobicContact CG2-CD1 4.03Å; V47-L68 HydrophobicContact CG2-CD2 4.21Å; V47-L68 HydrophobicContact CG2-CG 4.38Å; V47-I72 HydrophobicContact CB-CD1 3.86Å; V47-I72 HydrophobicContact CB-CG1 4.31Å; V47-I72 HydrophobicContact CG1-CD1 4.18Å; V47-I72 HydrophobicContact CG1-CG1 4.23Å; V47-I72 HydrophobicContact CG2-CD1 3.9Å; V47-I72 HydrophobicContact CG2-CG1 4.08Å; V47-L86 HydrophobicContact CG1-CD2 3.57Å; V47-L116 CarbonylContact C-O 3.52Å; V47-L116 WeakPolarHBondContact CA-O 3.25Å; V47-L116 HydrophobicContact CG2-CB 4.48Å; V47-M118 HydrophobicContact CG1-CB 4.39Å
48S96.8Very high93.2Very high24 Ų2435.8 Ų35.817%0.16822%0.216CC..EExtended strand (participates in β ladder)trans-83.7127.9173.3-157.40000110.2D54 L116 H117 M118S48-D54 WeakPolarHBondContact CA-OD1 3.24Å; S48-D54 WeakPolarHBondContact CB-OD1 3.33Å; S48-D54 PolarHBondContact OG-OD1 3.42Å; S48-L116 PolarHBondContact N-O 2.71Å; S48-H117 CarbonylContact O-C 3.58Å; S48-H117 WeakPolarHBondContact O-CA 3.38Å; S48-M118 PolarHBondContact O-N 3.35Å
49L96.5Very high93.6Very high5 Ų528 Ų283%0.02617%0.174CC..  trans-90-171.5-172.8-60.6-169.5000111.9V47 D51 T53 V55 I72 L76 M118 R119V47-L49 HydrophobicContact CG1-CD2 4.08Å; L49-D51 WeakPolarHBondContact CB-OD1 3.47Å; L49-T53 PolarHBondContact N-O 3.49Å; L49-V55 HydrophobicContact CD1-CG2 3.72Å; L49-V55 HydrophobicContact CG-CG2 4.19Å; L49-I72 HydrophobicContact CD2-CG2 3.87Å; L49-L76 HydrophobicContact CD1-CD1 4.03Å; L49-L76 HydrophobicContact CD1-CD2 3.88Å; L49-L76 HydrophobicContact CD1-CG 4.42Å; L49-L76 HydrophobicContact CD2-CD1 4.21Å; L49-M118 HydrophobicContact CD2-CB 4.05Å; L49-M118 HydrophobicContact CD2-SD 4.03Å; L49-R119 PolarHBondContact O-NH1 2.87Å; L49-R119 VanDerWaalsContact O-NH1 3.16Å
50L95.6Very high93.9Very high4 Ų428.2 Ų28.22%0.02117%0.173CC..SBendtrans-86.4-23.1178.3-74.4168.8000112.7G52 F84 M118 V120 L138 L141 Q142 Q145L50-G52 PolarHBondContact O-N 2.81Å; L50-F84 HydrophobicContact CD1-CD1 4.18Å; L50-F84 HydrophobicContact CD1-CE1 3.87Å; L50-M118 HydrophobicContact CD1-CE 4.26Å; L50-V120 HydrophobicContact CD1-CG2 4.48Å; L50-L138 HydrophobicContact CB-CD2 3.99Å; L50-L138 HydrophobicContact CD1-CB 4.06Å; L50-L138 HydrophobicContact CD1-CD2 4.19Å; L50-L141 HydrophobicContact CB-CB 4.21Å; L50-L141 HydrophobicContact CB-CD1 4.38Å; L50-Q142 HydrophobicContact CD2-CB 3.97Å; L50-Q145 PolarHBondContact O-NE2 2.99Å
51D92.6Very high94.4Very high48 Ų4826.3 Ų26.326%0.25715%0.152SC..SBendtrans-82.21.8173.672.8-19.4000113.6L49 T53 L141 R370L49-D51 WeakPolarHBondContact CB-OD1 3.47Å; D51-T53 VanDerWaalsContact C-N 3.31Å; D51-T53 VanDerWaalsContact CG-OG1 3.32Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.04Å; D51-T53 PolarHBondContact OD1-OG1 3.24Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.48Å; D51-T53 PolarHBondContact OD2-OG1 2.99Å; D51-L141 HydrophobicContact CB-CD1 4.1Å; D51-R370 HydrophobicContact CB-CB 4.06Å; D51-R370 HydrophobicContact CB-CG 3.86Å; D51-R370 WeakPolarHBondContact OD2-CG 3.41Å; D51-R370 IonicContact OD2-NE 2.76Å; D51-R370 PolarHBondContact OD2-NE 2.94Å
52G90.9Very high94.6Very high59 Ų5932.8 Ų32.861%0.60817%0.173SC*.SBendtrans79.94-176.700000114.9L50L50-G52 PolarHBondContact O-N 2.81Å
53T92.9Very high94.8Very high28 Ų2830.8 Ų30.817%0.17216%0.163CC..  trans-81.2158.1170.866.50000111.9L49 D51 R370L49-T53 PolarHBondContact N-O 3.49Å; D51-T53 VanDerWaalsContact C-N 3.31Å; D51-T53 VanDerWaalsContact CG-OG1 3.32Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.04Å; D51-T53 PolarHBondContact OD1-OG1 3.24Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.48Å; D51-T53 PolarHBondContact OD2-OG1 2.99Å; T53-R370 VanDerWaalsContact CG2-CZ 3.48Å
54D94.9Very high95Very high40 Ų4034.4 Ų34.421%0.21418%0.179CC..EExtended strand (participates in β ladder)trans-113.5137.7172.1-74.5-21.1000110.9A29 R46 V47 S48A29-D54 HydrophobicContact CB-CB 3.46Å; A29-D54 VanDerWaalsContact CB-CB 3.46Å; A29-D54 WeakPolarHBondContact CB-O 3.41Å; R46-D54 HydrophobicContact CG-CB 4.23Å; R46-D54 IonicContact CZ-OD2 2.75Å; R46-D54 IonicContact NE-OD2 3.18Å; R46-D54 PolarHBondContact NE-OD2 2.74Å; R46-D54 IonicContact NH2-OD2 2.74Å; R46-D54 PolarHBondContact NH2-OD2 3.18Å; V47-D54 WeakPolarHBondContact O-CA 3.5Å; S48-D54 WeakPolarHBondContact CA-OD1 3.24Å; S48-D54 WeakPolarHBondContact CB-OD1 3.33Å; S48-D54 PolarHBondContact OG-OD1 3.42Å
55V95.9Very high95.1Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-116.8130.2173.5179.60000109.4T31 I33 V47 L49 V57 I72T31-V55 HydrophobicContact CG2-CG1 4.18Å; T31-V55 HydrophobicContact CG2-CG2 4.18Å; I33-V55 HydrophobicContact CD1-CG1 3.68Å; I33-V55 HydrophobicContact CG1-CG1 3.96Å; V47-V55 PolarHBondContact N-O 3.25Å; V47-V55 PolarHBondContact O-N 3.23Å; L49-V55 HydrophobicContact CD1-CG2 3.72Å; L49-V55 HydrophobicContact CG-CG2 4.19Å; V55-V57 HydrophobicContact CG1-CG2 4.24Å; V55-I72 HydrophobicContact CB-CD1 4.09Å; V55-I72 HydrophobicContact CG1-CD1 3.93Å
56S96.4Very high95.1Very high0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans-104.1114.7176.8-70.40000111.6A29 T31 H32 I33 C45A29-S56 PolarHBondContact N-OG 2.81Å; T31-S56 PolarHBondContact O-N 3.24Å; H32-S56 CarbonylContact C-O 3.59Å; H32-S56 VanDerWaalsContact CA-O 3.32Å; H32-S56 WeakPolarHBondContact CA-O 3.16Å; H32-S56 PolarHBondContact CD2-O 2.87Å; I33-S56 PolarHBondContact N-O 2.94Å; C45-S56 CarbonylContact O-C 3.52Å; C45-S56 WeakPolarHBondContact O-CA 3.4Å
57V96Very high95.1Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-105.1119.8178.2-1650000109.1I33 A35 C45 V55 L59 L68 Q71 I72I33-V57 HydrophobicContact CB-CG1 4.18Å; I33-V57 HydrophobicContact CB-CG2 4.32Å; I33-V57 HydrophobicContact CD1-CG2 4.27Å; I33-V57 HydrophobicContact CG2-CG1 4.33Å; I33-V57 WeakPolarHBondContact O-CA 3.47Å; A35-V57 HydrophobicContact CB-CG1 3.87Å; C45-V57 PolarHBondContact N-O 3.42Å; C45-V57 PolarHBondContact O-N 3.49Å; V55-V57 HydrophobicContact CG1-CG2 4.24Å; V57-L59 HydrophobicContact CG1-CD1 4.26Å; V57-L59 HydrophobicContact CG1-CD2 4.09Å; V57-L59 HydrophobicContact CG1-CG 3.86Å; V57-L68 HydrophobicContact CB-CD1 3.71Å; V57-L68 HydrophobicContact CG1-CD1 4.17Å; V57-L68 HydrophobicContact CG2-CD1 3.72Å; V57-Q71 HydrophobicContact CG1-CB 4.18Å; V57-Q71 HydrophobicContact CG1-CG 4.42Å; V57-I72 HydrophobicContact CG2-CD1 3.67Å; V57-I72 HydrophobicContact CG2-CG1 4.43Å
58D95.3Very high95.1Very high4 Ų438 Ų382%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-88126.7167.8-85.1-45.8000109.1R28 H32 I33 A35 A36 I42 I43 T44R28-D58 IonicContact CZ-OD2 3.83Å; R28-D58 IonicContact NE-OD2 3.58Å; R28-D58 PolarHBondContact NE-OD2 3.33Å; R28-D58 IonicContact NH2-OD2 3.78Å; R28-D58 PolarHBondContact NH2-OD2 2.84Å; H32-D58 IonicContact CD2-OD2 3.91Å; H32-D58 IonicContact CE1-OD2 3.64Å; H32-D58 IonicContact NE2-OD2 2.63Å; H32-D58 PolarHBondContact NE2-OD2 3.48Å; I33-D58 PolarHBondContact O-N 3.42Å; A35-D58 CarbonylContact C-O 3.56Å; A35-D58 WeakPolarHBondContact CA-O 3.21Å; A35-D58 PolarHBondContact N-O 3.02Å; A35-D58 VanDerWaalsContact N-O 3.11Å; A36-D58 HydrophobicContact CB-CB 4.49Å; A36-D58 PolarHBondContact N-O 2.95Å; I42-D58 HydrophobicContact CD1-CB 4.26Å; I43-D58 WeakPolarHBondContact O-CA 3.42Å; T44-D58 WeakPolarHBondContact CA-OD1 3.18Å; T44-D58 VanDerWaalsContact CB-OD1 3.26Å; T44-D58 WeakPolarHBondContact CB-OD1 3.15Å; T44-D58 WeakPolarHBondContact CG2-OD1 3.29Å; T44-D58 PolarHBondContact OG1-OD1 3.48Å
59L95.3Very high95.1Very high4 Ų438 Ų382%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-132.4160.6-174.6-73.5170.5000111.8A35 I42 I43 V57 A63 E67 L68 I104A35-L59 HydrophobicContact CB-CD2 3.75Å; I42-L59 CarbonylContact C-O 3.57Å; I42-L59 VanDerWaalsContact CA-O 3.23Å; I42-L59 WeakPolarHBondContact CA-O 3.38Å; I43-L59 HydrophobicContact CG1-CB 4.22Å; I43-L59 WeakPolarHBondContact CG1-O 3.39Å; I43-L59 PolarHBondContact N-O 3.2Å; I43-L59 PolarHBondContact O-N 2.77Å; V57-L59 HydrophobicContact CG1-CD1 4.26Å; V57-L59 HydrophobicContact CG1-CD2 4.09Å; V57-L59 HydrophobicContact CG1-CG 3.86Å; L59-A63 HydrophobicContact CB-CB 4.02Å; L59-A63 HydrophobicContact CD1-CB 4.43Å; L59-E67 HydrophobicContact CD2-CB 4.49Å; L59-L68 HydrophobicContact CD1-CB 3.67Å; L59-L68 HydrophobicContact CD1-CD1 3.85Å; L59-L68 HydrophobicContact CD1-CG 4.32Å; L59-I104 HydrophobicContact CD1-CD1 3.85Å
60P94.9Very high95.1Very high38 Ų3841.5 Ų41.525%0.24721%0.212CC..EExtended strand (participates in β ladder)trans-59.8140.2172-21.534.4000111.7A39 K62 A63A39-P60 HydrophobicContact CB-CB 4.02Å; A39-P60 HydrophobicContact CB-CG 4.07Å; P60-K62 PolarHBondContact O-N 3.22Å; P60-A63 WeakPolarHBondContact O-CB 3.38Å; P60-A63 PolarHBondContact O-N 2.9Å
61K92.6Very high95.1Very high107 Ų10744.4 Ų44.447%0.46523%0.226SC..THydrogen-bonded Turntrans-57.7-14.7-178.1170.8-178.6170.9-167.60115.6S41 I43S41-K61 WeakPolarHBondContact O-CB 3.48Å; S41-K61 PolarHBondContact O-N 3.33Å; S41-K61 WeakPolarHBondContact OG-CD 3.25Å; I43-K61 HydrophobicContact CG2-CB 4.12Å; I43-K61 HydrophobicContact CG2-CG 4.32Å
62K92.9Very high95.3Very high189 Ų18942.1 Ų42.182%0.82221%0.213SC*.THydrogen-bonded Turntrans-95.4-7.7175.5-68.2-178.1179.8176.10113.5P60 S103P60-K62 PolarHBondContact O-N 3.22Å; K62-S103 PolarHBondContact O-OG 3.31Å
63A95.5Very high95.5Very high1 Ų139.5 Ų39.51%0.00819%0.185CC..  trans-51.4142.1-172.100000113.7L59 P60 E67 S103 I104L59-A63 HydrophobicContact CB-CB 4.02Å; L59-A63 HydrophobicContact CD1-CB 4.43Å; P60-A63 WeakPolarHBondContact O-CB 3.38Å; P60-A63 PolarHBondContact O-N 2.9Å; A63-E67 WeakPolarHBondContact CA-OE1 3.13Å; A63-E67 VanDerWaalsContact CA-OE2 3.31Å; A63-E67 WeakPolarHBondContact CA-OE2 3.26Å; A63-E67 HydrophobicContact CB-CB 4.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.45Å; A63-S103 CarbonylContact O-C 3.53Å; A63-S103 WeakPolarHBondContact O-CA 3.47Å; A63-S103 PolarHBondContact O-OG 3.49Å; A63-S103 VanDerWaalsContact O-OG 3.04Å; A63-I104 HydrophobicContact CB-CD1 4.41Å; A63-I104 PolarHBondContact O-N 3.37Å
64K96.7Very high95.6Very high85 Ų8547.2 Ų47.237%0.3721%0.213SC..BIsolated β-bridgetrans-76162.5169.5-69.5177.3176.6174.20112.3E66 E67 V100 K102 I104K64-E66 HydrophobicContact CB-CB 4.03Å; K64-E66 HydrophobicContact CD-CB 4.23Å; K64-E66 WeakPolarHBondContact CD-OE2 3.22Å; K64-E66 IonicContact NZ-OE2 3.21Å; K64-E66 PolarHBondContact NZ-OE2 2.98Å; K64-E66 PolarHBondContact O-N 3.39Å; K64-E67 HydrophobicContact CB-CG 4.49Å; K64-E67 WeakPolarHBondContact CB-OE1 3.38Å; K64-E67 PolarHBondContact N-OE1 2.83Å; K64-E67 PolarHBondContact O-N 3.34Å; K64-V100 WeakPolarHBondContact CB-O 3.42Å; K64-K102 CarbonylContact C-O 3.54Å; K64-K102 WeakPolarHBondContact CA-O 3.47Å; K64-I104 WeakPolarHBondContact O-CD1 3.16Å; K64-I104 WeakPolarHBondContact O-CG1 3.38Å
65G95.9Very high95.5Very high0 Ų049 Ų490%022%0.22CC..Hα-helixtrans-63.4-29.5168.500000113.3L68 F69 V100 K102G65-L68 PolarHBondContact O-N 2.89Å; G65-F69 WeakPolarHBondContact O-CB 3.47Å; G65-F69 PolarHBondContact O-N 3.19Å; G65-V100 PolarHBondContact N-O 3.46Å; G65-K102 PolarHBondContact N-O 2.79Å
66E95.8Very high95.4Very high86 Ų8651 Ų5140%0.40223%0.23SC..Hα-helixtrans-52.1-50.8170.7-174.5172.3-149.100111.7K64 L68 F69 E70 V100K64-E66 HydrophobicContact CB-CB 4.03Å; K64-E66 HydrophobicContact CD-CB 4.23Å; K64-E66 WeakPolarHBondContact CD-OE2 3.22Å; K64-E66 IonicContact NZ-OE2 3.21Å; K64-E66 PolarHBondContact NZ-OE2 2.98Å; K64-E66 PolarHBondContact O-N 3.39Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.35Å; E66-F69 PolarHBondContact O-N 2.94Å; E66-E70 WeakPolarHBondContact O-CG 3.36Å; E66-E70 PolarHBondContact O-N 2.86Å; E66-V100 HydrophobicContact CB-CB 4.12Å; E66-V100 WeakPolarHBondContact CB-O 3.45Å; E66-V100 PolarHBondContact N-O 3.1Å
67E96.5Very high95.2Very high75 Ų7555 Ų5535%0.3525%0.251SS..Hα-helixtrans-61.6-38.4-180-67.2157.9-11400112.6L59 A63 K64 Q71L59-E67 HydrophobicContact CD2-CB 4.49Å; A63-E67 WeakPolarHBondContact CA-OE1 3.13Å; A63-E67 VanDerWaalsContact CA-OE2 3.31Å; A63-E67 WeakPolarHBondContact CA-OE2 3.26Å; A63-E67 HydrophobicContact CB-CB 4.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.45Å; K64-E67 HydrophobicContact CB-CG 4.49Å; K64-E67 WeakPolarHBondContact CB-OE1 3.38Å; K64-E67 PolarHBondContact N-OE1 2.83Å; K64-E67 PolarHBondContact O-N 3.34Å; E67-Q71 WeakPolarHBondContact O-CG 3.2Å; E67-Q71 PolarHBondContact O-N 3.4Å
68L97.1Very high95Very high0 Ų055.5 Ų55.50%025%0.254CS..Hα-helixtrans-71.8-41.6175179.263.5000112.2C45 V47 V57 L59 G65 E66 Q71 I72 L86 L98 I104 L116C45-L68 HydrophobicContact CB-CD1 3.82Å; C45-L68 HydrophobicContact CB-CD2 3.89Å; V47-L68 HydrophobicContact CG2-CD1 4.03Å; V47-L68 HydrophobicContact CG2-CD2 4.21Å; V47-L68 HydrophobicContact CG2-CG 4.38Å; V57-L68 HydrophobicContact CB-CD1 3.71Å; V57-L68 HydrophobicContact CG1-CD1 4.17Å; V57-L68 HydrophobicContact CG2-CD1 3.72Å; L59-L68 HydrophobicContact CD1-CB 3.67Å; L59-L68 HydrophobicContact CD1-CD1 3.85Å; L59-L68 HydrophobicContact CD1-CG 4.32Å; G65-L68 PolarHBondContact O-N 2.89Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.35Å; L68-Q71 PolarHBondContact O-N 3.22Å; L68-I72 HydrophobicContact CD1-CG1 4.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.31Å; L68-I72 PolarHBondContact O-N 3.05Å; L68-L86 HydrophobicContact CB-CD1 4.44Å; L68-L86 HydrophobicContact CD2-CD1 3.76Å; L68-L86 HydrophobicContact CG-CD1 3.74Å; L68-L98 HydrophobicContact CD2-CD2 4.4Å; L68-I104 HydrophobicContact CB-CD1 3.79Å; L68-I104 HydrophobicContact CD2-CD1 4.13Å; L68-L116 HydrophobicContact CD2-CD1 3.93Å; L68-L116 HydrophobicContact CD2-CD2 4.09Å
69F97.3Very high94.7Very high26 Ų2657.9 Ų57.911%0.11427%0.268CS..Hα-helixtrans-61.8-51.1-178.5-175.1-110.5000110.9G65 E66 Q71 I72 M73 K81 L86 V100G65-F69 WeakPolarHBondContact O-CB 3.47Å; G65-F69 PolarHBondContact O-N 3.19Å; E66-F69 PolarHBondContact O-N 2.94Å; F69-Q71 VanDerWaalsContact C-N 3.3Å; F69-Q71 PolarHBondContact O-N 2.88Å; F69-I72 PolarHBondContact O-N 3.27Å; F69-I72 VanDerWaalsContact O-N 3.16Å; F69-M73 HydrophobicContact CD1-CG 4.07Å; F69-M73 HydrophobicContact CD2-CE 4.15Å; F69-M73 HydrophobicContact CD2-CG 4.31Å; F69-M73 HydrophobicContact CE1-CG 3.83Å; F69-M73 HydrophobicContact CE1-SD 4.43Å; F69-M73 HydrophobicContact CE2-CE 3.77Å; F69-M73 HydrophobicContact CE2-CG 4.08Å; F69-M73 HydrophobicContact CE2-SD 3.95Å; F69-M73 HydrophobicContact CG-CG 4.32Å; F69-M73 HydrophobicContact CZ-CE 4.3Å; F69-M73 HydrophobicContact CZ-CG 3.84Å; F69-M73 HydrophobicContact CZ-SD 3.85Å; F69-M73 VanDerWaalsContact O-CG 3.31Å; F69-M73 WeakPolarHBondContact O-CG 3.44Å; F69-M73 PolarHBondContact O-N 3.1Å; F69-K81 HydrophobicContact CE1-CB 4.33Å; F69-K81 HydrophobicContact CE1-CD 4.17Å; F69-K81 HydrophobicContact CZ-CB 4.33Å; F69-L86 HydrophobicContact CB-CD1 4.46Å; F69-L86 HydrophobicContact CD2-CD1 4.41Å; F69-L86 HydrophobicContact CD2-CG 4.15Å; F69-V100 HydrophobicContact CB-CG1 4.36Å
70E95.9Very high94.5Very high78 Ų7857.7 Ų57.736%0.36427%0.268SS..Hα-helixtrans-59.3-38.1178.8-64.9-57.5138.900112.5E66 M73 Y74 K81E66-E70 WeakPolarHBondContact O-CG 3.36Å; E66-E70 PolarHBondContact O-N 2.86Å; E70-M73 PolarHBondContact O-N 3.46Å; E70-Y74 WeakPolarHBondContact O-CB 3.39Å; E70-Y74 PolarHBondContact O-N 3Å; E70-K81 IonicContact OE1-NZ 3.24Å; E70-K81 PolarHBondContact OE1-NZ 3.23Å; E70-K81 IonicContact OE2-NZ 3.58Å; E70-K81 PolarHBondContact OE2-NZ 2.87Å
71Q96.8Very high94.4Very high65 Ų6558.1 Ų58.130%0.30427%0.266SS..Hα-helixtrans-65.3-38.7177.1-70.5-68.4-44.200112.8A35 V57 E67 L68 F69 H75A35-Q71 HydrophobicContact CB-CG 3.84Å; V57-Q71 HydrophobicContact CG1-CB 4.18Å; V57-Q71 HydrophobicContact CG1-CG 4.42Å; E67-Q71 WeakPolarHBondContact O-CG 3.2Å; E67-Q71 PolarHBondContact O-N 3.4Å; L68-Q71 PolarHBondContact O-N 3.22Å; F69-Q71 VanDerWaalsContact C-N 3.3Å; F69-Q71 PolarHBondContact O-N 2.88Å; Q71-H75 VanDerWaalsContact O-CB 3.27Å; Q71-H75 WeakPolarHBondContact O-CB 3.36Å; Q71-H75 PolarHBondContact O-N 2.89Å
72I96.8Very high94.4Very high0 Ų054.2 Ų54.20%025%0.249CC..Hα-helixtrans-72.5-42.7175.9-60.1-65.6000111.1V47 L49 V55 V57 L68 F69 Y74 H75 L76 M118V47-I72 HydrophobicContact CB-CD1 3.86Å; V47-I72 HydrophobicContact CB-CG1 4.31Å; V47-I72 HydrophobicContact CG1-CD1 4.18Å; V47-I72 HydrophobicContact CG1-CG1 4.23Å; V47-I72 HydrophobicContact CG2-CD1 3.9Å; V47-I72 HydrophobicContact CG2-CG1 4.08Å; L49-I72 HydrophobicContact CD2-CG2 3.87Å; V55-I72 HydrophobicContact CB-CD1 4.09Å; V55-I72 HydrophobicContact CG1-CD1 3.93Å; V57-I72 HydrophobicContact CG2-CD1 3.67Å; V57-I72 HydrophobicContact CG2-CG1 4.43Å; L68-I72 HydrophobicContact CD1-CG1 4.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.31Å; L68-I72 PolarHBondContact O-N 3.05Å; F69-I72 PolarHBondContact O-N 3.27Å; F69-I72 VanDerWaalsContact O-N 3.16Å; I72-Y74 VanDerWaalsContact C-N 3.33Å; I72-Y74 PolarHBondContact O-N 3.18Å; I72-H75 PolarHBondContact O-N 2.78Å; I72-L76 HydrophobicContact CG2-CD1 4.07Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.74Å; I72-M118 HydrophobicContact CG2-SD 4.13Å
73M95.1Very high94.5Very high4 Ų445.2 Ų45.22%0.0221%0.21CC..Hα-helixtrans-64.3-38.6178.1-61.5-59.7106.300111.8F69 E70 L76 D77 I78 K81 F84 M118F69-M73 HydrophobicContact CD1-CG 4.07Å; F69-M73 HydrophobicContact CD2-CE 4.15Å; F69-M73 HydrophobicContact CD2-CG 4.31Å; F69-M73 HydrophobicContact CE1-CG 3.83Å; F69-M73 HydrophobicContact CE1-SD 4.43Å; F69-M73 HydrophobicContact CE2-CE 3.77Å; F69-M73 HydrophobicContact CE2-CG 4.08Å; F69-M73 HydrophobicContact CE2-SD 3.95Å; F69-M73 HydrophobicContact CG-CG 4.32Å; F69-M73 HydrophobicContact CZ-CE 4.3Å; F69-M73 HydrophobicContact CZ-CG 3.84Å; F69-M73 HydrophobicContact CZ-SD 3.85Å; F69-M73 VanDerWaalsContact O-CG 3.31Å; F69-M73 WeakPolarHBondContact O-CG 3.44Å; F69-M73 PolarHBondContact O-N 3.1Å; E70-M73 PolarHBondContact O-N 3.46Å; M73-L76 PolarHBondContact O-N 3.03Å; M73-D77 PolarHBondContact O-N 2.83Å; M73-D77 VanDerWaalsContact O-N 3.11Å; M73-I78 PolarHBondContact O-N 3.33Å; M73-I78 HydrophobicContact SD-CB 4.34Å; M73-I78 HydrophobicContact SD-CD1 4.17Å; M73-I78 HydrophobicContact SD-CG2 4.37Å; M73-K81 HydrophobicContact CB-CB 4.14Å; M73-K81 HydrophobicContact CB-CD 4.17Å; M73-K81 HydrophobicContact CG-CB 3.63Å; M73-K81 HydrophobicContact CG-CD 4.05Å; M73-K81 HydrophobicContact CG-CG 4.49Å; M73-K81 HydrophobicContact SD-CB 3.52Å; M73-K81 VanDerWaalsContact SD-CB 3.52Å; M73-F84 HydrophobicContact SD-CB 4.43Å; M73-M118 HydrophobicContact CE-CE 4.01Å; M73-M118 HydrophobicContact CE-CG 4.43Å; M73-M118 HydrophobicContact CE-SD 3.86Å
74Y93.9Very high94.5Very high190 Ų19045.4 Ų45.475%0.74521%0.211SC*.Hα-helixtrans-67.9-43.5175.3178.7-98000112.3E70 I72 L76 D77E70-Y74 WeakPolarHBondContact O-CB 3.39Å; E70-Y74 PolarHBondContact O-N 3Å; I72-Y74 VanDerWaalsContact C-N 3.33Å; I72-Y74 PolarHBondContact O-N 3.18Å; Y74-L76 PolarHBondContact O-N 3.16Å; Y74-D77 PolarHBondContact O-N 3.31Å; Y74-D77 VanDerWaalsContact O-N 3.1Å
75H93.3Very high94.5Very high78 Ų7841.7 Ų41.736%0.36120%0.197SC..Hα-helixtrans-59-31.3177173.646.9000113.1I33 Q71 I72I33-H75 HydrophobicContact CD1-CB 3.73Å; Q71-H75 VanDerWaalsContact O-CB 3.27Å; Q71-H75 WeakPolarHBondContact O-CB 3.36Å; Q71-H75 PolarHBondContact O-N 2.89Å; I72-H75 PolarHBondContact O-N 2.78Å
76L92.8Very high94.6Very high41 Ų4141.9 Ų41.922%0.21520%0.198CC..THydrogen-bonded Turntrans-97.31.6178.8-60.7174.8000113.7L49 I72 M73 Y74 I78 M118 L134L49-L76 HydrophobicContact CD1-CD1 4.03Å; L49-L76 HydrophobicContact CD1-CD2 3.88Å; L49-L76 HydrophobicContact CD1-CG 4.42Å; L49-L76 HydrophobicContact CD2-CD1 4.21Å; I72-L76 HydrophobicContact CG2-CD1 4.07Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.74Å; M73-L76 PolarHBondContact O-N 3.03Å; Y74-L76 PolarHBondContact O-N 3.16Å; L76-I78 HydrophobicContact CB-CD1 3.63Å; L76-I78 HydrophobicContact CB-CG1 3.69Å; L76-I78 HydrophobicContact CD1-CD1 3.78Å; L76-I78 HydrophobicContact CG-CD1 4.37Å; L76-I78 PolarHBondContact O-N 2.8Å; L76-M118 HydrophobicContact CD1-CE 4.21Å; L76-M118 HydrophobicContact CD1-SD 3.69Å; L76-L134 WeakPolarHBondContact O-CD2 3.39Å
77D92.4Very high94.5Very high84 Ų8441.6 Ų41.645%0.44919%0.193SC..THydrogen-bonded Turntrans5234-175.6-16113.3000114.6M73 Y74 V79 R362M73-D77 PolarHBondContact O-N 2.83Å; M73-D77 VanDerWaalsContact O-N 3.11Å; Y74-D77 PolarHBondContact O-N 3.31Å; Y74-D77 VanDerWaalsContact O-N 3.1Å; D77-V79 PolarHBondContact O-N 2.78Å; D77-R362 IonicContact OD1-CZ 3.5Å; D77-R362 IonicContact OD1-NH1 2.59Å; D77-R362 PolarHBondContact OD1-NH1 3.17Å; D77-R362 IonicContact OD1-NH2 2.66Å; D77-R362 IonicContact OD2-CZ 3.97Å; D77-R362 VanDerWaalsContact OD2-CZ 3.31Å; D77-R362 IonicContact OD2-NH1 2.76Å; D77-R362 PolarHBondContact OD2-NH1 2.95Å; D77-R362 VanDerWaalsContact OD2-NH1 3.15Å; D77-R362 IonicContact OD2-NH2 3.85Å; D77-R362 PolarHBondContact OD2-NH2 3.37Å
78I91.4Very high94.5Very high11 Ų1138.8 Ų38.86%0.05618%0.18CC..  trans-80.7108.7-175.9-61.7170.1000110.6M73 L76 K81 F84 M118 L134 L138M73-I78 PolarHBondContact O-N 3.33Å; M73-I78 HydrophobicContact SD-CB 4.34Å; M73-I78 HydrophobicContact SD-CD1 4.17Å; M73-I78 HydrophobicContact SD-CG2 4.37Å; L76-I78 HydrophobicContact CB-CD1 3.63Å; L76-I78 HydrophobicContact CB-CG1 3.69Å; L76-I78 HydrophobicContact CD1-CD1 3.78Å; L76-I78 HydrophobicContact CG-CD1 4.37Å; L76-I78 PolarHBondContact O-N 2.8Å; I78-K81 HydrophobicContact CG2-CB 4.19Å; I78-F84 HydrophobicContact CG2-CD2 4.08Å; I78-F84 HydrophobicContact CG2-CE2 3.92Å; I78-M118 HydrophobicContact CD1-CE 3.51Å; I78-L134 HydrophobicContact CG1-CD2 3.95Å; I78-L138 HydrophobicContact CD1-CD1 3.58Å; I78-L138 HydrophobicContact CG1-CD1 4.1Å
79V89.1Confident94.2Very high53 Ų5341.3 Ų41.332%0.32119%0.192SC..THydrogen-bonded Turntrans-71.1-46.2174.6-176.30000111.6D77 K81 E132D77-V79 PolarHBondContact O-N 2.78Å; V79-K81 PolarHBondContact O-N 3.24Å; V79-E132 HydrophobicContact CB-CG 4.17Å; V79-E132 HydrophobicContact CG2-CG 4.35Å
80E92.2Very high93.8Very high1 Ų142 Ų421%0.00520%0.197CC..THydrogen-bonded Turntrans-8636.2-173-57.3178.4117.300112.5D82 Y83 H131 E132 T135 T355E80-D82 PolarHBondContact O-N 2.87Å; E80-Y83 HydrophobicContact CB-CD2 4Å; E80-Y83 HydrophobicContact CB-CE2 4.18Å; E80-Y83 WeakPolarHBondContact O-CD2 3.48Å; E80-Y83 PolarHBondContact O-N 2.6Å; E80-H131 PolarHBondContact OE1-N 3.42Å; E80-H131 PolarHBondContact OE2-N 3.2Å; E80-E132 HydrophobicContact CG-CG 4.24Å; E80-E132 WeakPolarHBondContact OE2-CB 3.41Å; E80-E132 PolarHBondContact OE2-N 3.22Å; E80-T135 HydrophobicContact CB-CG2 4.25Å; E80-T135 WeakPolarHBondContact OE2-CB 3.14Å; E80-T135 PolarHBondContact OE2-OG1 3.07Å; E80-T355 HydrophobicContact CB-CG2 4.07Å; E80-T355 HydrophobicContact CG-CG2 4.27Å
81K92.8Very high93.3Very high47 Ų4742.7 Ų42.720%0.20421%0.211CC..G310 helixtrans-55.7-25.2-171.258173.8176.7171.20115.3F69 E70 M73 I78 V79 Y83 F84F69-K81 HydrophobicContact CE1-CB 4.33Å; F69-K81 HydrophobicContact CE1-CD 4.17Å; F69-K81 HydrophobicContact CZ-CB 4.33Å; E70-K81 IonicContact OE1-NZ 3.24Å; E70-K81 PolarHBondContact OE1-NZ 3.23Å; E70-K81 IonicContact OE2-NZ 3.58Å; E70-K81 PolarHBondContact OE2-NZ 2.87Å; M73-K81 HydrophobicContact CB-CB 4.14Å; M73-K81 HydrophobicContact CB-CD 4.17Å; M73-K81 HydrophobicContact CG-CB 3.63Å; M73-K81 HydrophobicContact CG-CD 4.05Å; M73-K81 HydrophobicContact CG-CG 4.49Å; M73-K81 HydrophobicContact SD-CB 3.52Å; M73-K81 VanDerWaalsContact SD-CB 3.52Å; I78-K81 HydrophobicContact CG2-CB 4.19Å; V79-K81 PolarHBondContact O-N 3.24Å; K81-Y83 PolarHBondContact O-N 2.82Å; K81-Y83 VanDerWaalsContact O-N 3.15Å; K81-F84 PolarHBondContact O-N 3.2Å
82D91.9Very high92.8Very high24 Ų2443.1 Ų43.113%0.12823%0.225CC..G310 helixtrans-62.3-19.6-176.8-65.7-95.3000113.6E80 F122 F322 K350E80-D82 PolarHBondContact O-N 2.87Å; D82-F122 WeakPolarHBondContact O-CD2 3.45Å; D82-F322 HydrophobicContact CB-CE2 4.26Å; D82-K350 HydrophobicContact CB-CB 4.44Å; D82-K350 WeakPolarHBondContact OD1-CB 3.21Å; D82-K350 PolarHBondContact OD1-N 3.48Å; D82-K350 IonicContact OD2-NZ 3.67Å; D82-K350 PolarHBondContact OD2-NZ 3.35Å
83Y94.8Very high92.3Very high0 Ų049.3 Ų49.30%025%0.254CS..G310 helixtrans-73.3-20.8171.2-67.9-72.2000114.1E80 K81 K121 F122 N129 L130 T135 F139 F322 E352 T355E80-Y83 HydrophobicContact CB-CD2 4Å; E80-Y83 HydrophobicContact CB-CE2 4.18Å; E80-Y83 WeakPolarHBondContact O-CD2 3.48Å; E80-Y83 PolarHBondContact O-N 2.6Å; K81-Y83 PolarHBondContact O-N 2.82Å; K81-Y83 VanDerWaalsContact O-N 3.15Å; Y83-K121 PolarHBondContact O-N 2.89Å; Y83-F122 HydrophobicContact CD1-CB 4.45Å; Y83-F122 WeakPolarHBondContact CD1-O 3.27Å; Y83-F122 PolarHBondContact O-N 3.19Å; Y83-N129 PolarHBondContact OH-O 2.74Å; Y83-L130 HydrophobicContact CD1-CD2 4.38Å; Y83-L130 HydrophobicContact CD2-CD2 3.9Å; Y83-L130 HydrophobicContact CE1-CD2 3.96Å; Y83-L130 HydrophobicContact CE2-CD2 3.42Å; Y83-L130 VanDerWaalsContact CE2-CD2 3.42Å; Y83-L130 HydrophobicContact CG-CD2 4.36Å; Y83-L130 VanDerWaalsContact CZ-CD2 3.45Å; Y83-T135 HydrophobicContact CD2-CG2 4.35Å; Y83-F139 HydrophobicContact CD1-CZ 4.1Å; Y83-F139 HydrophobicContact CG-CE2 4.3Å; Y83-F139 HydrophobicContact CG-CZ 4.06Å; Y83-F322 AromaticContact CD1-CE1 3.85Å; Y83-F322 HydrophobicContact CD1-CE1 3.85Å; Y83-F322 AromaticContact CD1-CZ 3.55Å; Y83-F322 HydrophobicContact CD1-CZ 3.55Å; Y83-F322 AromaticContact CE1-CE1 3.79Å; Y83-F322 HydrophobicContact CE1-CE1 3.79Å; Y83-F322 AromaticContact CE1-CZ 3.61Å; Y83-F322 HydrophobicContact CE1-CZ 3.61Å; Y83-F322 HydrophobicContact CG-CZ 4.3Å; Y83-E352 HydrophobicContact CE1-CG 4.27Å; Y83-E352 WeakPolarHBondContact CE1-OE1 3.32Å; Y83-E352 PolarHBondContact OH-OE1 3.21Å; Y83-T355 HydrophobicContact CD2-CG2 4.43Å; Y83-T355 HydrophobicContact CE2-CG2 3.96Å
84F96.3Very high91.9Very high6 Ų652.4 Ų52.43%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-102.4162-171-61.3-82.3000113L50 M73 I78 K81 M118 V120 T135 L138 F139L50-F84 HydrophobicContact CD1-CD1 4.18Å; L50-F84 HydrophobicContact CD1-CE1 3.87Å; M73-F84 HydrophobicContact SD-CB 4.43Å; I78-F84 HydrophobicContact CG2-CD2 4.08Å; I78-F84 HydrophobicContact CG2-CE2 3.92Å; K81-F84 PolarHBondContact O-N 3.2Å; F84-M118 HydrophobicContact CB-CE 4.21Å; F84-M118 HydrophobicContact CD1-CE 3.53Å; F84-M118 HydrophobicContact CD2-CE 4.37Å; F84-M118 HydrophobicContact CE1-CE 3.93Å; F84-M118 HydrophobicContact CG-CE 3.78Å; F84-M118 HydrophobicContact CZ-CE 4.5Å; F84-V120 HydrophobicContact CD1-CG2 4.14Å; F84-V120 HydrophobicContact CE1-CG2 3.85Å; F84-T135 HydrophobicContact CE2-CG2 4.07Å; F84-T135 HydrophobicContact CZ-CG2 4.14Å; F84-L138 HydrophobicContact CE1-CB 3.86Å; F84-L138 HydrophobicContact CE1-CD1 4.28Å; F84-L138 HydrophobicContact CE2-CD1 4.47Å; F84-L138 HydrophobicContact CZ-CB 3.78Å; F84-L138 HydrophobicContact CZ-CD1 3.86Å; F84-L138 HydrophobicContact CZ-CG 4.5Å; F84-F139 HydrophobicContact CE1-CD2 4.28Å; F84-F139 HydrophobicContact CE1-CE2 4.29Å; F84-F139 HydrophobicContact CZ-CD2 4.04Å; F84-F139 HydrophobicContact CZ-CE2 4Å
85G96.3Very high91.7Very high7 Ų745.8 Ų45.87%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-151.1164.8173.700000113.3M118 R119G85-M118 WeakPolarHBondContact O-CA 3.19Å; G85-R119 PolarHBondContact N-O 3.46Å; G85-R119 PolarHBondContact O-N 2.84Å
86L97.2Very high91.5Very high4 Ų444.4 Ų44.42%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-100.3127.8169.9-63.6177.5000109.9V47 L68 F69 L98 L116 H117 M118V47-L86 HydrophobicContact CG1-CD2 3.57Å; L68-L86 HydrophobicContact CB-CD1 4.44Å; L68-L86 HydrophobicContact CD2-CD1 3.76Å; L68-L86 HydrophobicContact CG-CD1 3.74Å; F69-L86 HydrophobicContact CB-CD1 4.46Å; F69-L86 HydrophobicContact CD2-CD1 4.41Å; F69-L86 HydrophobicContact CD2-CG 4.15Å; L86-L98 HydrophobicContact CB-CB 4.13Å; L86-L98 HydrophobicContact CB-CD2 4.06Å; L86-L98 HydrophobicContact CD1-CD2 3.97Å; L86-L98 WeakPolarHBondContact O-CB 3.32Å; L86-L98 PolarHBondContact O-N 2.93Å; L86-L116 HydrophobicContact CB-CD2 4.02Å; L86-L116 HydrophobicContact CD1-CD2 4.49Å; L86-H117 WeakPolarHBondContact CA-O 3.37Å; L86-M118 HydrophobicContact CD2-CB 4.03Å
87R95.4Very high91.5Very high80 Ų8044.7 Ų44.730%0.30225%0.246SC..EExtended strand (participates in β ladder)trans-115.8134.5-177.9-157.5176.478.6165.21.7110.3P95 H96 W97 L116 H117R87-P95 HydrophobicContact CG-CB 4.07Å; R87-H96 CarbonylContact C-O 3.6Å; R87-H96 WeakPolarHBondContact CA-O 3.36Å; R87-W97 HydrophobicContact CB-CE3 4.02Å; R87-W97 HydrophobicContact CB-CZ3 4Å; R87-W97 HydrophobicContact CG-CE3 4.32Å; R87-L116 CarbonylContact O-C 3.6Å; R87-L116 WeakPolarHBondContact O-CA 3.49Å; R87-H117 PolarHBondContact N-O 2.8Å; R87-H117 PolarHBondContact O-N 3.49Å
88F94.9Very high91.7Very high15 Ų1541.4 Ų41.47%0.06623%0.228CC..EExtended strand (participates in β ladder)trans-127.4153.1177.470.8-84.5000110.5H96 L98 Q107 V108 L116F88-H96 HydrophobicContact CD1-CB 4.34Å; F88-H96 VanDerWaalsContact CD1-O 3.31Å; F88-H96 WeakPolarHBondContact CD1-O 3.42Å; F88-H96 HydrophobicContact CE1-CB 3.81Å; F88-H96 HydrophobicContact CE2-CB 4.23Å; F88-H96 HydrophobicContact CZ-CB 3.75Å; F88-H96 PolarHBondContact N-O 2.67Å; F88-H96 PolarHBondContact O-N 3.21Å; F88-L98 HydrophobicContact CD1-CB 4.48Å; F88-L98 HydrophobicContact CD1-CD1 4.5Å; F88-Q107 HydrophobicContact CE1-CB 4.38Å; F88-Q107 HydrophobicContact CZ-CB 4.06Å; F88-V108 HydrophobicContact CB-CG1 4.29Å; F88-V108 HydrophobicContact CB-CG2 4.22Å; F88-V108 HydrophobicContact CD1-CG2 4.07Å; F88-V108 HydrophobicContact CD2-CB 4.24Å; F88-V108 HydrophobicContact CD2-CG1 4.04Å; F88-V108 HydrophobicContact CD2-CG2 3.98Å; F88-V108 HydrophobicContact CE1-CG2 4.45Å; F88-V108 HydrophobicContact CE2-CG2 4.37Å; F88-V108 HydrophobicContact CG-CG1 4.33Å; F88-V108 HydrophobicContact CG-CG2 3.82Å; F88-L116 HydrophobicContact CB-CD2 4.4Å; F88-L116 HydrophobicContact CB-CG 4.17Å
89M91.5Very high91.7Very high53 Ų5342.4 Ų42.426%0.26123%0.233SC..EExtended strand (participates in β ladder)trans-89.3140.8175.9-50.6-54.9-82.900109.8Q93 P95M89-Q93 HydrophobicContact CE-CB 4.34Å; M89-Q93 WeakPolarHBondContact CE-O 3.46Å; M89-P95 HydrophobicContact CE-CB 4.37Å; M89-P95 HydrophobicContact SD-CB 3.85Å
90D88.3Confident91.9Very high41 Ų4142.4 Ų42.422%0.21923%0.233CC..  trans-87.1-177.9168.379.69.4000112.6A92 Q93 V94 H96D90-A92 PolarHBondContact O-N 3.2Å; D90-A92 VanDerWaalsContact O-N 3.09Å; D90-A92 WeakPolarHBondContact OD1-CA 3.26Å; D90-A92 PolarHBondContact OD1-N 3.31Å; D90-Q93 PolarHBondContact O-N 3.4Å; D90-Q93 PolarHBondContact OD1-N 2.93Å; D90-V94 PolarHBondContact N-O 2.87Å; D90-V94 PolarHBondContact OD1-N 2.98Å; D90-V94 VanDerWaalsContact OD1-N 3.14Å; D90-H96 VanDerWaalsContact CG-NE2 3.34Å; D90-H96 IonicContact OD2-CD2 3.45Å; D90-H96 IonicContact OD2-CE1 3.81Å; D90-H96 IonicContact OD2-NE2 2.78Å; D90-H96 PolarHBondContact OD2-NE2 2.82Å
91S87.1Confident91.8Very high93 Ų9346.1 Ų46.165%0.6526%0.256SS*.THydrogen-bonded Turntrans-67.4-2.7-178.852.50000115.1
92A85.6Confident91.8Very high74 Ų7448.6 Ų48.661%0.61227%0.267SS*.THydrogen-bonded Turntrans-115.916.4173.900000111.8D90 V94D90-A92 PolarHBondContact O-N 3.2Å; D90-A92 VanDerWaalsContact O-N 3.09Å; D90-A92 WeakPolarHBondContact OD1-CA 3.26Å; D90-A92 PolarHBondContact OD1-N 3.31Å; A92-V94 HydrophobicContact CB-CG2 4.37Å; A92-V94 PolarHBondContact O-N 3.16Å
93Q87Confident92Very high130 Ų13048.5 Ų48.561%0.60727%0.268SS*.SBendtrans56.125.7-174-56.2-63.9-0.800114.4M89 D90M89-Q93 HydrophobicContact CE-CB 4.34Å; M89-Q93 WeakPolarHBondContact CE-O 3.46Å; D90-Q93 PolarHBondContact O-N 3.4Å; D90-Q93 PolarHBondContact OD1-N 2.93Å
94V85.6Confident92Very high68 Ų6848.5 Ų48.541%0.41227%0.268SS..  trans-81.6129.7168.7-1780000108.4D90 A92 H96D90-V94 PolarHBondContact N-O 2.87Å; D90-V94 PolarHBondContact OD1-N 2.98Å; D90-V94 VanDerWaalsContact OD1-N 3.14Å; A92-V94 HydrophobicContact CB-CG2 4.37Å; A92-V94 PolarHBondContact O-N 3.16Å; V94-H96 PolarHBondContact O-CD2 3.2Å
95P89.2Confident91.9Very high52 Ų5253.5 Ų53.534%0.33829%0.29SS..EExtended strand (participates in β ladder)trans-75.3135.4175.229.4-33.4000111.5R87 M89R87-P95 HydrophobicContact CG-CB 4.07Å; M89-P95 HydrophobicContact CE-CB 4.37Å; M89-P95 HydrophobicContact SD-CB 3.85Å
96H90.3Very high91.7Very high49 Ų4962 Ų6223%0.22733%0.325CS..EExtended strand (participates in β ladder)trans-129.6139.8175.9-63.6-92.4000111.2R87 F88 D90 V94R87-H96 CarbonylContact C-O 3.6Å; R87-H96 WeakPolarHBondContact CA-O 3.36Å; F88-H96 HydrophobicContact CD1-CB 4.34Å; F88-H96 VanDerWaalsContact CD1-O 3.31Å; F88-H96 WeakPolarHBondContact CD1-O 3.42Å; F88-H96 HydrophobicContact CE1-CB 3.81Å; F88-H96 HydrophobicContact CE2-CB 4.23Å; F88-H96 HydrophobicContact CZ-CB 3.75Å; F88-H96 PolarHBondContact N-O 2.67Å; F88-H96 PolarHBondContact O-N 3.21Å; D90-H96 VanDerWaalsContact CG-NE2 3.34Å; D90-H96 IonicContact OD2-CD2 3.45Å; D90-H96 IonicContact OD2-CE1 3.81Å; D90-H96 IonicContact OD2-NE2 2.78Å; D90-H96 PolarHBondContact OD2-NE2 2.82Å; V94-H96 PolarHBondContact O-CD2 3.2Å
97W93.3Very high91.5Very high47 Ų4763.4 Ų63.418%0.17833%0.331CS..EExtended strand (participates in β ladder)trans-71.2137.3168-65.5112.5000111.2R87 D99 R119 V120 K121R87-W97 HydrophobicContact CB-CE3 4.02Å; R87-W97 HydrophobicContact CB-CZ3 4Å; R87-W97 HydrophobicContact CG-CE3 4.32Å; W97-D99 PolarHBondContact O-N 2.63Å; W97-R119 HydrophobicContact CH2-CB 3.94Å; W97-R119 HydrophobicContact CZ3-CB 4.24Å; W97-V120 WeakPolarHBondContact CH2-O 3.38Å; W97-K121 HydrophobicContact CD2-CD 4.16Å; W97-K121 HydrophobicContact CD2-CG 4.19Å; W97-K121 HydrophobicContact CE3-CD 4.38Å; W97-K121 HydrophobicContact CE3-CG 4.44Å; W97-K121 HydrophobicContact CG-CD 4.48Å; W97-K121 HydrophobicContact CH2-CB 3.75Å; W97-K121 HydrophobicContact CH2-CG 4.15Å; W97-K121 HydrophobicContact CZ2-CB 3.95Å; W97-K121 HydrophobicContact CZ2-CG 3.88Å; W97-K121 HydrophobicContact CZ3-CB 4.06Å; W97-K121 HydrophobicContact CZ3-CG 4.43Å
98L94.8Very high91.4Very high15 Ų1559.8 Ų59.88%0.07932%0.318CS..  trans-68.3118.5174.4-175.769.5000110.3L68 L86 F88 V100 V108 L116L68-L98 HydrophobicContact CD2-CD2 4.4Å; L86-L98 HydrophobicContact CB-CB 4.13Å; L86-L98 HydrophobicContact CB-CD2 4.06Å; L86-L98 HydrophobicContact CD1-CD2 3.97Å; L86-L98 WeakPolarHBondContact O-CB 3.32Å; L86-L98 PolarHBondContact O-N 2.93Å; F88-L98 HydrophobicContact CD1-CB 4.48Å; F88-L98 HydrophobicContact CD1-CD1 4.5Å; L98-V100 PolarHBondContact O-N 2.68Å; L98-V100 VanDerWaalsContact O-N 3.09Å; L98-V108 HydrophobicContact CD1-CG2 4.28Å; L98-L116 HydrophobicContact CB-CD2 4.37Å; L98-L116 HydrophobicContact CD1-CD2 4.19Å; L98-L116 HydrophobicContact CD2-CD2 3.79Å; L98-L116 HydrophobicContact CG-CD2 4.35Å
99D92.6Very high91.1Very high31 Ų3166.9 Ų66.917%0.16635%0.349CS..  trans-74.1104.7171.8-168.7-44.9000108.8W97 T101 K102 Q107W97-D99 PolarHBondContact O-N 2.63Å; D99-T101 PolarHBondContact O-N 3.46Å; D99-T101 VanDerWaalsContact O-N 3.13Å; D99-T101 WeakPolarHBondContact OD1-CB 3.39Å; D99-T101 PolarHBondContact OD1-N 3.13Å; D99-T101 VanDerWaalsContact OD1-N 3.08Å; D99-T101 PolarHBondContact OD1-OG1 3.05Å; D99-K102 HydrophobicContact CB-CB 4.44Å; D99-K102 HydrophobicContact CB-CD 4.27Å; D99-K102 HydrophobicContact CB-CG 4.28Å; D99-K102 PolarHBondContact O-N 2.78Å; D99-K102 IonicContact OD2-NZ 2.8Å; D99-K102 PolarHBondContact OD2-NZ 3.01Å; D99-Q107 PolarHBondContact O-NE2 3.16Å
100V92.6Very high90.9Very high54 Ų5468.2 Ų68.233%0.32736%0.356SS..THydrogen-bonded Turntrans-55-31.6-177.1-66.90000112.5K64 G65 E66 F69 L98 K102K64-V100 WeakPolarHBondContact CB-O 3.42Å; G65-V100 PolarHBondContact N-O 3.46Å; E66-V100 HydrophobicContact CB-CB 4.12Å; E66-V100 WeakPolarHBondContact CB-O 3.45Å; E66-V100 PolarHBondContact N-O 3.1Å; F69-V100 HydrophobicContact CB-CG1 4.36Å; L98-V100 PolarHBondContact O-N 2.68Å; L98-V100 VanDerWaalsContact O-N 3.09Å; V100-K102 PolarHBondContact O-N 2.75Å
101T90.6Very high90.7Very high78 Ų7868 Ų6848%0.47936%0.363SS..THydrogen-bonded Turntrans-70.9-15.8-17874.10000113.8D99D99-T101 PolarHBondContact O-N 3.46Å; D99-T101 VanDerWaalsContact O-N 3.13Å; D99-T101 WeakPolarHBondContact OD1-CB 3.39Å; D99-T101 PolarHBondContact OD1-N 3.13Å; D99-T101 VanDerWaalsContact OD1-N 3.08Å; D99-T101 PolarHBondContact OD1-OG1 3.05Å
102K93.6Very high90.4Very high99 Ų9967 Ų6743%0.4336%0.355SS..SBendtrans-110.4151.3-171.8-63.9-172-175.696.60112.5K64 G65 D99 V100 I104 Q107K64-K102 CarbonylContact C-O 3.54Å; K64-K102 WeakPolarHBondContact CA-O 3.47Å; G65-K102 PolarHBondContact N-O 2.79Å; D99-K102 HydrophobicContact CB-CB 4.44Å; D99-K102 HydrophobicContact CB-CD 4.27Å; D99-K102 HydrophobicContact CB-CG 4.28Å; D99-K102 PolarHBondContact O-N 2.78Å; D99-K102 IonicContact OD2-NZ 2.8Å; D99-K102 PolarHBondContact OD2-NZ 3.01Å; V100-K102 PolarHBondContact O-N 2.75Å; K102-I104 PolarHBondContact O-N 2.92Å; K102-Q107 HydrophobicContact CB-CG 4.21Å; K102-Q107 PolarHBondContact O-NE2 2.66Å
103S95Very high90.4Very high23 Ų2364.6 Ų64.616%0.16133%0.333CS..BIsolated β-bridgetrans-61.1130.7175.5-178.50000112.2K62 A63 K105 K106K62-S103 PolarHBondContact O-OG 3.31Å; A63-S103 CarbonylContact O-C 3.53Å; A63-S103 WeakPolarHBondContact O-CA 3.47Å; A63-S103 PolarHBondContact O-OG 3.49Å; A63-S103 VanDerWaalsContact O-OG 3.04Å; S103-K105 VanDerWaalsContact C-N 3.32Å; S103-K105 PolarHBondContact O-N 3.13Å; S103-K106 WeakPolarHBondContact O-CB 3.39Å; S103-K106 PolarHBondContact O-N 3.36Å
104I95.2Very high90.7Very high0 Ų058.9 Ų58.90%031%0.306CS..G310 helixtrans-53.7-48.8-174.8-57.9164.5000110.6I43 L59 A63 K64 L68 K102 K106 Q107 V108I43-I104 HydrophobicContact CD1-CB 4.35Å; I43-I104 HydrophobicContact CD1-CD1 4.37Å; L59-I104 HydrophobicContact CD1-CD1 3.85Å; A63-I104 HydrophobicContact CB-CD1 4.41Å; A63-I104 PolarHBondContact O-N 3.37Å; K64-I104 WeakPolarHBondContact O-CD1 3.16Å; K64-I104 WeakPolarHBondContact O-CG1 3.38Å; L68-I104 HydrophobicContact CB-CD1 3.79Å; L68-I104 HydrophobicContact CD2-CD1 4.13Å; K102-I104 PolarHBondContact O-N 2.92Å; I104-K106 PolarHBondContact O-N 2.51Å; I104-K106 VanDerWaalsContact O-N 3.12Å; I104-Q107 PolarHBondContact O-N 2.86Å; I104-V108 HydrophobicContact CG2-CB 4.49Å; I104-V108 HydrophobicContact CG2-CG2 3.89Å; I104-V108 PolarHBondContact O-N 3.42Å
105K93.4Very high91.1Very high111 Ų11158.6 Ų58.648%0.48331%0.306SS..G310 helixtrans-62.9-17.9-179.7176164.9179.31230114.3S103 Q107S103-K105 VanDerWaalsContact C-N 3.32Å; S103-K105 PolarHBondContact O-N 3.13Å; K105-Q107 VanDerWaalsContact C-N 3.34Å
106K93.1Very high91.5Very high186 Ų18656.2 Ų56.281%0.80929%0.291SS*.G310 helixtrans-84.1-9.9173.6-67.9-172.1176.5-175.90113.2S103 I104S103-K106 WeakPolarHBondContact O-CB 3.39Å; S103-K106 PolarHBondContact O-N 3.36Å; I104-K106 PolarHBondContact O-N 2.51Å; I104-K106 VanDerWaalsContact O-N 3.12Å
107Q92.9Very high91.9Very high33 Ų3356.6 Ų56.615%0.15429%0.293CS..THydrogen-bonded Turntrans-114-59.2-174.4-55.2-172.882.600110.8F88 D99 K102 I104 K105 K109F88-Q107 HydrophobicContact CE1-CB 4.38Å; F88-Q107 HydrophobicContact CZ-CB 4.06Å; D99-Q107 PolarHBondContact O-NE2 3.16Å; K102-Q107 HydrophobicContact CB-CG 4.21Å; K102-Q107 PolarHBondContact O-NE2 2.66Å; I104-Q107 PolarHBondContact O-N 2.86Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-K109 PolarHBondContact O-N 3.04Å
108V93.2Very high92.1Very high3 Ų354.4 Ų54.42%0.01828%0.284CS..  trans-78.4108.2-179-1640000108.3F88 L98 I104 Y114 L116F88-V108 HydrophobicContact CB-CG1 4.29Å; F88-V108 HydrophobicContact CB-CG2 4.22Å; F88-V108 HydrophobicContact CD1-CG2 4.07Å; F88-V108 HydrophobicContact CD2-CB 4.24Å; F88-V108 HydrophobicContact CD2-CG1 4.04Å; F88-V108 HydrophobicContact CD2-CG2 3.98Å; F88-V108 HydrophobicContact CE1-CG2 4.45Å; F88-V108 HydrophobicContact CE2-CG2 4.37Å; F88-V108 HydrophobicContact CG-CG1 4.33Å; F88-V108 HydrophobicContact CG-CG2 3.82Å; L98-V108 HydrophobicContact CD1-CG2 4.28Å; I104-V108 HydrophobicContact CG2-CB 4.49Å; I104-V108 HydrophobicContact CG2-CG2 3.89Å; I104-V108 PolarHBondContact O-N 3.42Å; V108-Y114 HydrophobicContact CB-CD1 3.87Å; V108-Y114 HydrophobicContact CB-CE1 4.49Å; V108-Y114 HydrophobicContact CG1-CD1 3.82Å; V108-Y114 VanDerWaalsContact O-CE1 3.31Å; V108-Y114 WeakPolarHBondContact O-CE1 3.5Å; V108-L116 HydrophobicContact CG2-CD2 4.49Å
109K88.3Confident92.2Very high165 Ų16555.3 Ų55.372%0.71729%0.287SS*.  trans-82.7-32.3180-65.4-179.1-176.3172.90112.9Q107Q107-K109 PolarHBondContact O-N 3.04Å
110I87.6Confident92.4Very high80 Ų8054 Ų5441%0.4128%0.28SS..SBendtrans-81.7128.8-177.6-56.6177.4000108.6Y114I110-Y114 WeakPolarHBondContact O-CD1 3.48Å
111G83.1Confident92.5Very high36 Ų3652.9 Ų52.937%0.37127%0.271SS..  trans123.7176.3-178.900000114.2P113G111-P113 WeakPolarHBondContact CA-O 3.39Å
112P81.1Confident92.7Very high72 Ų7249.3 Ų49.347%0.46825%0.248SC..SBendcis-78158.57.433.1-36.9000113.8
113P85.9Confident92.7Very high25 Ų2545.3 Ų45.316%0.16223%0.231CC..SBendcis-63.5145.9-8.529.3-35.3000110.6Q27 R46 G111 C115Q27-P113 HydrophobicContact CB-CG 4.49Å; R46-P113 HydrophobicContact CB-CB 4.38Å; G111-P113 WeakPolarHBondContact CA-O 3.39Å; P113-C115 PolarHBondContact O-N 2.91Å
114Y93.7Very high92.6Very high10 Ų1044.2 Ų44.24%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-80.4108.3174.2-69.1-70.5000107.6I43 T44 C45 R46 V108 I110 L116I43-Y114 HydrophobicContact CB-CD2 4.18Å; I43-Y114 HydrophobicContact CB-CE2 3.96Å; I43-Y114 HydrophobicContact CG2-CE2 3.86Å; T44-Y114 PolarHBondContact O-N 2.98Å; C45-Y114 CarbonylContact C-O 3.5Å; C45-Y114 VanDerWaalsContact CA-O 3.3Å; C45-Y114 WeakPolarHBondContact CA-O 3.34Å; R46-Y114 PolarHBondContact N-O 3.33Å; V108-Y114 HydrophobicContact CB-CD1 3.87Å; V108-Y114 HydrophobicContact CB-CE1 4.49Å; V108-Y114 HydrophobicContact CG1-CD1 3.82Å; V108-Y114 VanDerWaalsContact O-CE1 3.31Å; V108-Y114 WeakPolarHBondContact O-CE1 3.5Å; I110-Y114 WeakPolarHBondContact O-CD1 3.48Å; Y114-L116 WeakPolarHBondContact O-CD1 3.43Å
115C94.9Very high92.3Very high62 Ų6245.9 Ų45.942%0.41924%0.235SC..EExtended strand (participates in β ladder)trans-88.7129.4-177.5-59.70000111.3R46 P113R46-C115 CarbonylContact O-C 3.56Å; R46-C115 WeakPolarHBondContact O-CA 3.37Å; P113-C115 PolarHBondContact O-N 2.91Å
116L97.1Very high92Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-136.2163.1175.9-59.594000109.7C45 R46 V47 S48 L68 L86 R87 F88 L98 V108 Y114C45-L116 HydrophobicContact CB-CD1 4.33Å; R46-L116 PolarHBondContact O-N 3.46Å; V47-L116 CarbonylContact C-O 3.52Å; V47-L116 WeakPolarHBondContact CA-O 3.25Å; V47-L116 HydrophobicContact CG2-CB 4.48Å; S48-L116 PolarHBondContact N-O 2.71Å; L68-L116 HydrophobicContact CD2-CD1 3.93Å; L68-L116 HydrophobicContact CD2-CD2 4.09Å; L86-L116 HydrophobicContact CB-CD2 4.02Å; L86-L116 HydrophobicContact CD1-CD2 4.49Å; R87-L116 CarbonylContact O-C 3.6Å; R87-L116 WeakPolarHBondContact O-CA 3.49Å; F88-L116 HydrophobicContact CB-CD2 4.4Å; F88-L116 HydrophobicContact CB-CG 4.17Å; L98-L116 HydrophobicContact CB-CD2 4.37Å; L98-L116 HydrophobicContact CD1-CD2 4.19Å; L98-L116 HydrophobicContact CD2-CD2 3.79Å; L98-L116 HydrophobicContact CG-CD2 4.35Å; V108-L116 HydrophobicContact CG2-CD2 4.49Å; Y114-L116 WeakPolarHBondContact O-CD1 3.43Å
117H97.1Very high91.7Very high58 Ų5836.1 Ų36.127%0.26919%0.194SC..EExtended strand (participates in β ladder)trans-127.5127.3178.4-54.280.9000109S48 L86 R87 R119S48-H117 CarbonylContact O-C 3.58Å; S48-H117 WeakPolarHBondContact O-CA 3.38Å; L86-H117 WeakPolarHBondContact CA-O 3.37Å; R87-H117 PolarHBondContact N-O 2.8Å; R87-H117 PolarHBondContact O-N 3.49Å; H117-R119 HydrophobicContact CB-CG 4.36Å
118M97.7Very high91.5Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-74.5126.9167.5179.2-178.216200108.8V47 S48 L49 L50 I72 M73 L76 I78 F84 G85 L86 L138V47-M118 HydrophobicContact CG1-CB 4.39Å; S48-M118 PolarHBondContact O-N 3.35Å; L49-M118 HydrophobicContact CD2-CB 4.05Å; L49-M118 HydrophobicContact CD2-SD 4.03Å; L50-M118 HydrophobicContact CD1-CE 4.26Å; I72-M118 HydrophobicContact CG2-SD 4.13Å; M73-M118 HydrophobicContact CE-CE 4.01Å; M73-M118 HydrophobicContact CE-CG 4.43Å; M73-M118 HydrophobicContact CE-SD 3.86Å; L76-M118 HydrophobicContact CD1-CE 4.21Å; L76-M118 HydrophobicContact CD1-SD 3.69Å; I78-M118 HydrophobicContact CD1-CE 3.51Å; F84-M118 HydrophobicContact CB-CE 4.21Å; F84-M118 HydrophobicContact CD1-CE 3.53Å; F84-M118 HydrophobicContact CD2-CE 4.37Å; F84-M118 HydrophobicContact CE1-CE 3.93Å; F84-M118 HydrophobicContact CG-CE 3.78Å; F84-M118 HydrophobicContact CZ-CE 4.5Å; G85-M118 WeakPolarHBondContact O-CA 3.19Å; L86-M118 HydrophobicContact CD2-CB 4.03Å; M118-L138 HydrophobicContact CE-CD1 4.22Å
119R97.4Very high91.2Very high35 Ų3541.4 Ų41.413%0.13222%0.223CC..EExtended strand (participates in β ladder)trans-142156.9-179.9-67.2-63.4179.3-96.816.3109.9L49 G85 W97 H117 K121L49-R119 PolarHBondContact O-NH1 2.87Å; L49-R119 VanDerWaalsContact O-NH1 3.16Å; G85-R119 PolarHBondContact N-O 3.46Å; G85-R119 PolarHBondContact O-N 2.84Å; W97-R119 HydrophobicContact CH2-CB 3.94Å; W97-R119 HydrophobicContact CZ3-CB 4.24Å; H117-R119 HydrophobicContact CB-CG 4.36Å; R119-K121 PolarHBondContact O-N 3.42Å
120V96.8Very high91.3Very high4 Ų433.7 Ų33.72%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-65.7127.4169.1179.90000107.6L50 F84 W97 F122 Y123 F139 Q142L50-V120 HydrophobicContact CD1-CG2 4.48Å; F84-V120 HydrophobicContact CD1-CG2 4.14Å; F84-V120 HydrophobicContact CE1-CG2 3.85Å; W97-V120 WeakPolarHBondContact CH2-O 3.38Å; V120-F122 VanDerWaalsContact CG1-O 3.26Å; V120-F122 WeakPolarHBondContact CG1-O 3.33Å; V120-Y123 HydrophobicContact CB-CD2 4.47Å; V120-Y123 HydrophobicContact CB-CE1 4.29Å; V120-Y123 HydrophobicContact CB-CE2 4.01Å; V120-Y123 HydrophobicContact CG1-CD1 4.13Å; V120-Y123 HydrophobicContact CG1-CD2 3.74Å; V120-Y123 HydrophobicContact CG1-CE1 4.19Å; V120-Y123 HydrophobicContact CG1-CE2 3.78Å; V120-Y123 HydrophobicContact CG1-CG 3.9Å; V120-F139 HydrophobicContact CG1-CE1 3.96Å; V120-F139 HydrophobicContact CG1-CE2 3.94Å; V120-F139 HydrophobicContact CG1-CZ 3.65Å; V120-F139 HydrophobicContact CG2-CD2 3.87Å; V120-F139 HydrophobicContact CG2-CE2 4Å; V120-F139 HydrophobicContact CG2-CG 4.22Å; V120-F139 HydrophobicContact CG2-CZ 4.46Å; V120-Q142 HydrophobicContact CB-CB 4.49Å; V120-Q142 HydrophobicContact CB-CG 3.96Å; V120-Q142 HydrophobicContact CG2-CB 3.73Å; V120-Q142 HydrophobicContact CG2-CG 3.75Å
121K94.6Very high91.4Very high30 Ų3033.8 Ų33.813%0.1319%0.188CC..SBendtrans-99-39.1179.4-178.4176.6179.2-176.90111.7Y83 W97 R119 E318Y83-K121 PolarHBondContact O-N 2.89Å; W97-K121 HydrophobicContact CD2-CD 4.16Å; W97-K121 HydrophobicContact CD2-CG 4.19Å; W97-K121 HydrophobicContact CE3-CD 4.38Å; W97-K121 HydrophobicContact CE3-CG 4.44Å; W97-K121 HydrophobicContact CG-CD 4.48Å; W97-K121 HydrophobicContact CH2-CB 3.75Å; W97-K121 HydrophobicContact CH2-CG 4.15Å; W97-K121 HydrophobicContact CZ2-CB 3.95Å; W97-K121 HydrophobicContact CZ2-CG 3.88Å; W97-K121 HydrophobicContact CZ3-CB 4.06Å; W97-K121 HydrophobicContact CZ3-CG 4.43Å; R119-K121 PolarHBondContact O-N 3.42Å; K121-E318 WeakPolarHBondContact CE-OE2 3.32Å; K121-E318 IonicContact NZ-OE1 3.21Å; K121-E318 PolarHBondContact NZ-OE1 3.14Å; K121-E318 IonicContact NZ-OE2 2.71Å; K121-E318 PolarHBondContact NZ-OE2 3.13Å
122F94.3Very high91.7Very high3 Ų333 Ų331%0.01318%0.175CC..SBendtrans-123.9121.3175.2-53.1-69.1000107.6D82 Y83 V120 E318 H319 F322 F323 Y347D82-F122 WeakPolarHBondContact O-CD2 3.45Å; Y83-F122 HydrophobicContact CD1-CB 4.45Å; Y83-F122 WeakPolarHBondContact CD1-O 3.27Å; Y83-F122 PolarHBondContact O-N 3.19Å; V120-F122 VanDerWaalsContact CG1-O 3.26Å; V120-F122 WeakPolarHBondContact CG1-O 3.33Å; F122-E318 HydrophobicContact CE1-CB 4.11Å; F122-E318 HydrophobicContact CZ-CB 4.02Å; F122-H319 AromaticContact CE1-ND1 3.87Å; F122-F322 HydrophobicContact CB-CD1 3.64Å; F122-F322 HydrophobicContact CB-CE1 3.51Å; F122-F322 HydrophobicContact CB-CG 4.31Å; F122-F322 HydrophobicContact CB-CZ 4.09Å; F122-F322 HydrophobicContact CD1-CB 4.23Å; F122-F322 HydrophobicContact CD1-CD1 4.13Å; F122-F322 HydrophobicContact CD1-CG 4.19Å; F122-F322 HydrophobicContact CD2-CD1 4.12Å; F122-F322 AromaticContact CD2-CD2 3.91Å; F122-F322 HydrophobicContact CD2-CD2 3.91Å; F122-F322 HydrophobicContact CD2-CE1 4.26Å; F122-F322 HydrophobicContact CD2-CE2 4.06Å; F122-F322 AromaticContact CD2-CG 3.93Å; F122-F322 HydrophobicContact CD2-CG 3.93Å; F122-F322 HydrophobicContact CD2-CZ 4.24Å; F122-F322 HydrophobicContact CE1-CB 4.19Å; F122-F322 HydrophobicContact CE1-CG 4.49Å; F122-F322 HydrophobicContact CE2-CD2 4.14Å; F122-F322 HydrophobicContact CE2-CG 4.27Å; F122-F322 HydrophobicContact CG-CB 4.42Å; F122-F322 AromaticContact CG-CD1 3.7Å; F122-F322 HydrophobicContact CG-CD1 3.7Å; F122-F322 HydrophobicContact CG-CD2 4.32Å; F122-F322 AromaticContact CG-CE1 3.98Å; F122-F322 HydrophobicContact CG-CE1 3.98Å; F122-F322 AromaticContact CG-CG 3.88Å; F122-F322 HydrophobicContact CG-CG 3.88Å; F122-F322 HydrophobicContact CG-CZ 4.41Å; F122-F322 HydrophobicContact CZ-CB 4.34Å; F122-F323 HydrophobicContact CB-CE2 4.3Å; F122-F323 HydrophobicContact CB-CZ 3.81Å; F122-F323 HydrophobicContact CD1-CE2 4.18Å; F122-Y347 HydrophobicContact CE2-CE2 4.12Å; F122-Y347 AromaticContact CZ-CE2 3.91Å; F122-Y347 HydrophobicContact CZ-CE2 3.91Å
123Y94.9Very high92.3Very high15 Ų1532.5 Ų32.56%0.05917%0.166CC..  trans-89.4135.5175.7-66.1-113.1000107.7V120 Q142 L143 D146 Y230 G231 P251 F323V120-Y123 HydrophobicContact CB-CD2 4.47Å; V120-Y123 HydrophobicContact CB-CE1 4.29Å; V120-Y123 HydrophobicContact CB-CE2 4.01Å; V120-Y123 HydrophobicContact CG1-CD1 4.13Å; V120-Y123 HydrophobicContact CG1-CD2 3.74Å; V120-Y123 HydrophobicContact CG1-CE1 4.19Å; V120-Y123 HydrophobicContact CG1-CE2 3.78Å; V120-Y123 HydrophobicContact CG1-CG 3.9Å; Y123-Q142 HydrophobicContact CE1-CG 4.01Å; Y123-Q142 WeakPolarHBondContact OH-CG 3.4Å; Y123-L143 HydrophobicContact CD1-CD2 4.45Å; Y123-L143 HydrophobicContact CE1-CD2 4.07Å; Y123-D146 PolarHBondContact OH-OD2 3.36Å; Y123-Y230 HydrophobicContact CD1-CE1 4.46Å; Y123-Y230 HydrophobicContact CD1-CE2 4.26Å; Y123-G231 VanDerWaalsContact CG-CA 3.44Å; Y123-P251 VanDerWaalsContact O-CB 3.27Å; Y123-P251 WeakPolarHBondContact O-CB 3.47Å; Y123-P251 WeakPolarHBondContact O-CG 3.11Å; Y123-F323 VanDerWaalsContact O-CE1 3.23Å; Y123-F323 WeakPolarHBondContact O-CE1 3.41Å; Y123-F323 WeakPolarHBondContact O-CZ 3.33Å
124S92.1Very high92.7Very high0 Ų032.9 Ų32.90%017%0.167CC..  trans-77139.8175.9-168.40000110.6E126 Y230 E352S124-E126 VanDerWaalsContact C-N 3.32Å; S124-E126 PolarHBondContact OG-N 2.98Å; S124-E126 PolarHBondContact OG-O 3.22Å; S124-E126 VanDerWaalsContact OG-O 3.13Å; S124-Y230 PolarHBondContact O-OH 3.06Å; S124-E352 VanDerWaalsContact CB-OE1 3.25Å; S124-E352 WeakPolarHBondContact CB-OE1 3.42Å; S124-E352 PolarHBondContact OG-OE1 2.63Å
125S88.6Confident92.7Very high35 Ų3532.5 Ų32.525%0.24517%0.165CC..SBendtrans-71.6-26.8172.544.80000112.5
126E88.3Confident92.8Very high89 Ų8931 Ų3142%0.41615%0.151SC..SBendtrans-118111.2172.4-5587.2-114.500110.8S124 N128 N129S124-E126 VanDerWaalsContact C-N 3.32Å; S124-E126 PolarHBondContact OG-N 2.98Å; S124-E126 PolarHBondContact OG-O 3.22Å; S124-E126 VanDerWaalsContact OG-O 3.13Å; E126-N128 PolarHBondContact O-N 2.96Å; E126-N129 VanDerWaalsContact O-CB 3.32Å; E126-N129 WeakPolarHBondContact O-CB 3.42Å; E126-N129 PolarHBondContact O-N 3.23Å; E126-N129 PolarHBondContact OE2-ND2 3.1Å
127P86.9Confident92.7Very high2 Ų231.9 Ų31.91%0.01315%0.154CC..G310 helixtrans-54.5-20.7175.6-29.836.8000115N129 L130 L221 K225P127-N129 VanDerWaalsContact C-N 3.25Å; P127-N129 PolarHBondContact O-N 2.93Å; P127-L130 WeakPolarHBondContact O-CB 3.32Å; P127-L130 PolarHBondContact O-N 2.94Å; P127-L221 HydrophobicContact CB-CB 3.71Å; P127-L221 HydrophobicContact CB-CD1 4.33Å; P127-L221 HydrophobicContact CG-CB 3.71Å; P127-K225 HydrophobicContact CG-CD 3.96Å
128N86.9Confident92.7Very high110 Ų11029.7 Ų29.759%0.58814%0.144SC*.G310 helixtrans-71.1-17.5176.3-60.1-7.5000113.1E126 H131E126-N128 PolarHBondContact O-N 2.96Å; N128-H131 PolarHBondContact O-CE1 2.94Å; N128-H131 PolarHBondContact O-ND1 2.78Å
129N87.5Confident92.7Very high37 Ų3729.7 Ų29.720%0.19814%0.144CC..G310 helixtrans-76.5-12.1172.8-62.1-14.3000112.3Y83 E126 P127 H131 T356Y83-N129 PolarHBondContact OH-O 2.74Å; E126-N129 VanDerWaalsContact O-CB 3.32Å; E126-N129 WeakPolarHBondContact O-CB 3.42Å; E126-N129 PolarHBondContact O-N 3.23Å; E126-N129 PolarHBondContact OE2-ND2 3.1Å; P127-N129 VanDerWaalsContact C-N 3.25Å; P127-N129 PolarHBondContact O-N 2.93Å; N129-H131 PolarHBondContact O-N 3.2Å; N129-T356 HydrophobicContact CB-CG2 3.91Å; N129-T356 WeakPolarHBondContact O-CG2 3.33Å
130L91.1Very high92.7Very high3 Ų328.4 Ų28.42%0.01614%0.141CC..  trans-8998.1172.8-52.1-179.3000108.3Y83 P127 T135 R136 F139 L221Y83-L130 HydrophobicContact CD1-CD2 4.38Å; Y83-L130 HydrophobicContact CD2-CD2 3.9Å; Y83-L130 HydrophobicContact CE1-CD2 3.96Å; Y83-L130 HydrophobicContact CE2-CD2 3.42Å; Y83-L130 VanDerWaalsContact CE2-CD2 3.42Å; Y83-L130 HydrophobicContact CG-CD2 4.36Å; Y83-L130 VanDerWaalsContact CZ-CD2 3.45Å; P127-L130 WeakPolarHBondContact O-CB 3.32Å; P127-L130 PolarHBondContact O-N 2.94Å; L130-T135 HydrophobicContact CB-CG2 4.28Å; L130-T135 HydrophobicContact CD1-CG2 4.46Å; L130-T135 HydrophobicContact CD2-CG2 3.95Å; L130-T135 HydrophobicContact CG-CG2 4.45Å; L130-R136 HydrophobicContact CB-CG 3.69Å; L130-R136 HydrophobicContact CD1-CG 4.22Å; L130-R136 PolarHBondContact O-NH1 3.22Å; L130-F139 HydrophobicContact CD1-CB 4.37Å; L130-F139 HydrophobicContact CD1-CD1 3.67Å; L130-F139 HydrophobicContact CD1-CD2 4.09Å; L130-F139 HydrophobicContact CD1-CE1 3.83Å; L130-F139 HydrophobicContact CD1-CE2 4.23Å; L130-F139 HydrophobicContact CD1-CG 3.8Å; L130-F139 HydrophobicContact CD1-CZ 4.1Å; L130-F139 HydrophobicContact CD2-CE1 4.31Å; L130-F139 HydrophobicContact CD2-CE2 4.23Å; L130-F139 HydrophobicContact CD2-CZ 3.94Å; L130-L221 HydrophobicContact CD1-CD1 4.32Å
131H89.2Confident92.7Very high82 Ų8229.2 Ų29.238%0.3814%0.144SC..  trans-81.5-37.1-171-62.8-30.5000112.8E80 N128 N129 R136E80-H131 PolarHBondContact OE1-N 3.42Å; E80-H131 PolarHBondContact OE2-N 3.2Å; N128-H131 PolarHBondContact O-CE1 2.94Å; N128-H131 PolarHBondContact O-ND1 2.78Å; N129-H131 PolarHBondContact O-N 3.2Å; H131-R136 VanDerWaalsContact C-NH1 3.3Å; H131-R136 PolarHBondContact O-NH1 3.26Å
132E90.3Very high92.9Very high20 Ų2028.1 Ų28.19%0.09314%0.14CC..SBendtrans-79.6139.1177.7-64.4-67.1146.800111.7V79 E80 L134 T135 R136 R362V79-E132 HydrophobicContact CB-CG 4.17Å; V79-E132 HydrophobicContact CG2-CG 4.35Å; E80-E132 HydrophobicContact CG-CG 4.24Å; E80-E132 WeakPolarHBondContact OE2-CB 3.41Å; E80-E132 PolarHBondContact OE2-N 3.22Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.15Å; E132-T135 WeakPolarHBondContact O-CB 3.12Å; E132-T135 PolarHBondContact O-N 3.35Å; E132-R136 PolarHBondContact O-N 3.43Å; E132-R136 PolarHBondContact O-NH1 3.17Å; E132-R362 VanDerWaalsContact OE1-CG 3.32Å; E132-R362 WeakPolarHBondContact OE1-CG 3.35Å
133E92.6Very high93Very high61 Ų6128 Ų2829%0.28514%0.139SC..Hα-helixtrans-65.6-37.4179-168.9-177.4126.900112.2T135 R136 Y137 A214 F367 R369E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 3.39Å; E133-R136 PolarHBondContact O-N 3.42Å; E133-Y137 PolarHBondContact O-N 2.97Å; E133-A214 VanDerWaalsContact CD-CB 3.49Å; E133-A214 HydrophobicContact CG-CB 3.87Å; E133-F367 HydrophobicContact CB-CE1 3.93Å; E133-F367 HydrophobicContact CG-CE1 3.82Å; E133-F367 HydrophobicContact CG-CZ 4.25Å; E133-R369 IonicContact OE1-CZ 3.31Å; E133-R369 VanDerWaalsContact OE1-CZ 3.24Å; E133-R369 IonicContact OE1-NH1 3.66Å; E133-R369 PolarHBondContact OE1-NH1 2.89Å; E133-R369 IonicContact OE1-NH2 2.81Å; E133-R369 PolarHBondContact OE1-NH2 3.42Å
134L93.8Very high93.1Very high34 Ų3429.1 Ų29.118%0.17815%0.145CC..Hα-helixtrans-60.1-39.7174.3177.561.9000112L76 I78 E132 R136 Y137 L138 F367L76-L134 WeakPolarHBondContact O-CD2 3.39Å; I78-L134 HydrophobicContact CG1-CD2 3.95Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.15Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.48Å; L134-Y137 HydrophobicContact CD1-CD1 4.36Å; L134-Y137 PolarHBondContact O-N 3.45Å; L134-L138 HydrophobicContact CD1-CD1 4.05Å; L134-L138 HydrophobicContact CD1-CG 4.1Å; L134-L138 HydrophobicContact CG-CD1 3.91Å; L134-L138 HydrophobicContact CG-CG 4.41Å; L134-L138 WeakPolarHBondContact O-CB 3.47Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.36Å; L134-L138 PolarHBondContact O-N 2.85Å; L134-F367 HydrophobicContact CB-CD1 3.92Å; L134-F367 HydrophobicContact CB-CE1 4.01Å; L134-F367 HydrophobicContact CB-CG 4.32Å; L134-F367 HydrophobicContact CB-CZ 4.46Å; L134-F367 HydrophobicContact CD1-CD1 4.36Å; L134-F367 HydrophobicContact CD1-CD2 3.74Å; L134-F367 HydrophobicContact CD1-CE2 4.02Å; L134-F367 HydrophobicContact CD1-CG 3.94Å; L134-F367 HydrophobicContact CD1-CZ 4.45Å
135T95.1Very high93.3Very high1 Ų131.7 Ų31.71%0.00616%0.156CC..Hα-helixtrans-61.4-45.1176.5-52.70000110.6E80 Y83 F84 L130 E132 E133 L138 F139E80-T135 HydrophobicContact CB-CG2 4.25Å; E80-T135 WeakPolarHBondContact OE2-CB 3.14Å; E80-T135 PolarHBondContact OE2-OG1 3.07Å; Y83-T135 HydrophobicContact CD2-CG2 4.35Å; F84-T135 HydrophobicContact CE2-CG2 4.07Å; F84-T135 HydrophobicContact CZ-CG2 4.14Å; L130-T135 HydrophobicContact CB-CG2 4.28Å; L130-T135 HydrophobicContact CD1-CG2 4.46Å; L130-T135 HydrophobicContact CD2-CG2 3.95Å; L130-T135 HydrophobicContact CG-CG2 4.45Å; E132-T135 WeakPolarHBondContact O-CB 3.12Å; E132-T135 PolarHBondContact O-N 3.35Å; E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 3.39Å; T135-L138 PolarHBondContact O-N 2.89Å; T135-F139 HydrophobicContact CG2-CD2 4.09Å; T135-F139 HydrophobicContact CG2-CE2 3.95Å; T135-F139 VanDerWaalsContact O-CD2 3.26Å; T135-F139 WeakPolarHBondContact O-CD2 3.41Å; T135-F139 PolarHBondContact O-N 3.37Å
136R95.7Very high93.6Very high31 Ų3130.5 Ų30.512%0.11715%0.147CC..Hα-helixtrans-63.3-45.4178.3-65.6-171-61.6-87.20111.8L130 H131 E132 E133 L134 L138 F139 V140 L221L130-R136 HydrophobicContact CB-CG 3.69Å; L130-R136 HydrophobicContact CD1-CG 4.22Å; L130-R136 PolarHBondContact O-NH1 3.22Å; H131-R136 VanDerWaalsContact C-NH1 3.3Å; H131-R136 PolarHBondContact O-NH1 3.26Å; E132-R136 PolarHBondContact O-N 3.43Å; E132-R136 PolarHBondContact O-NH1 3.17Å; E133-R136 PolarHBondContact O-N 3.42Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.48Å; R136-L138 PolarHBondContact O-N 3.42Å; R136-F139 WeakPolarHBondContact O-CB 3.49Å; R136-F139 PolarHBondContact O-N 3.49Å; R136-V140 WeakPolarHBondContact O-CG2 3.47Å; R136-V140 PolarHBondContact O-N 3.45Å; R136-L221 HydrophobicContact CB-CD1 3.81Å; R136-L221 HydrophobicContact CG-CD1 4.03Å
137Y96.3Very high94Very high20 Ų2026.7 Ų26.78%0.07813%0.13CC..Hα-helixtrans-58.4-47.1174.3172.2-113000112.6E133 L134 F139 V140 L141 E217 F367 R369 R370E133-Y137 PolarHBondContact O-N 2.97Å; L134-Y137 HydrophobicContact CD1-CD1 4.36Å; L134-Y137 PolarHBondContact O-N 3.45Å; Y137-F139 VanDerWaalsContact C-N 3.29Å; Y137-F139 PolarHBondContact O-N 2.9Å; Y137-V140 PolarHBondContact O-N 3.21Å; Y137-V140 VanDerWaalsContact O-N 3.13Å; Y137-L141 HydrophobicContact CD1-CD1 4.05Å; Y137-L141 HydrophobicContact CD2-CG 4.46Å; Y137-L141 HydrophobicContact CE1-CD1 3.51Å; Y137-L141 HydrophobicContact CE1-CG 4.27Å; Y137-L141 HydrophobicContact CE2-CD1 4.19Å; Y137-L141 HydrophobicContact CE2-CD2 4.18Å; Y137-L141 HydrophobicContact CE2-CG 4.09Å; Y137-L141 WeakPolarHBondContact O-CG 3.46Å; Y137-L141 PolarHBondContact O-N 2.91Å; Y137-E217 VanDerWaalsContact CD2-OE1 3.31Å; Y137-E217 WeakPolarHBondContact CD2-OE1 3.34Å; Y137-F367 HydrophobicContact CD1-CD2 4.29Å; Y137-F367 AromaticContact CD1-CE2 3.47Å; Y137-F367 HydrophobicContact CD1-CE2 3.47Å; Y137-F367 VanDerWaalsContact CD1-CE2 3.47Å; Y137-F367 HydrophobicContact CD1-CZ 4.19Å; Y137-F367 HydrophobicContact CE1-CE2 4.07Å; Y137-F367 AromaticContact CG-CE2 3.72Å; Y137-F367 HydrophobicContact CG-CE2 3.72Å; Y137-F367 HydrophobicContact CG-CZ 4.06Å; Y137-R369 HydrophobicContact CD2-CG 4.12Å; Y137-R369 HydrophobicContact CE2-CB 4.17Å; Y137-R369 HydrophobicContact CE2-CG 3.92Å; Y137-R370 PolarHBondContact OH-N 2.92Å; Y137-R370 PolarHBondContact OH-O 2.84Å; Y137-R370 VanDerWaalsContact OH-O 3.08Å
138L96.9Very high94.4Very high11 Ų1129.7 Ų29.76%0.05815%0.145CC..Hα-helixtrans-62.2-35.2177.1-70.5168.2000112.5L50 I78 F84 M118 L134 T135 R136 L141 Q142L50-L138 HydrophobicContact CB-CD2 3.99Å; L50-L138 HydrophobicContact CD1-CB 4.06Å; L50-L138 HydrophobicContact CD1-CD2 4.19Å; I78-L138 HydrophobicContact CD1-CD1 3.58Å; I78-L138 HydrophobicContact CG1-CD1 4.1Å; F84-L138 HydrophobicContact CE1-CB 3.86Å; F84-L138 HydrophobicContact CE1-CD1 4.28Å; F84-L138 HydrophobicContact CE2-CD1 4.47Å; F84-L138 HydrophobicContact CZ-CB 3.78Å; F84-L138 HydrophobicContact CZ-CD1 3.86Å; F84-L138 HydrophobicContact CZ-CG 4.5Å; M118-L138 HydrophobicContact CE-CD1 4.22Å; L134-L138 HydrophobicContact CD1-CD1 4.05Å; L134-L138 HydrophobicContact CD1-CG 4.1Å; L134-L138 HydrophobicContact CG-CD1 3.91Å; L134-L138 HydrophobicContact CG-CG 4.41Å; L134-L138 WeakPolarHBondContact O-CB 3.47Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.36Å; L134-L138 PolarHBondContact O-N 2.85Å; T135-L138 PolarHBondContact O-N 2.89Å; R136-L138 PolarHBondContact O-N 3.42Å; L138-L141 HydrophobicContact CD2-CD1 4.42Å; L138-L141 PolarHBondContact O-N 3.44Å; L138-Q142 PolarHBondContact O-N 2.98Å
139F97.6Very high94.7Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-65.7-43.4171.7-92.5-122.2000112.3Y83 F84 V120 L130 T135 R136 Y137 L141 Q142 L143 L221Y83-F139 HydrophobicContact CD1-CZ 4.1Å; Y83-F139 HydrophobicContact CG-CE2 4.3Å; Y83-F139 HydrophobicContact CG-CZ 4.06Å; F84-F139 HydrophobicContact CE1-CD2 4.28Å; F84-F139 HydrophobicContact CE1-CE2 4.29Å; F84-F139 HydrophobicContact CZ-CD2 4.04Å; F84-F139 HydrophobicContact CZ-CE2 4Å; V120-F139 HydrophobicContact CG1-CE1 3.96Å; V120-F139 HydrophobicContact CG1-CE2 3.94Å; V120-F139 HydrophobicContact CG1-CZ 3.65Å; V120-F139 HydrophobicContact CG2-CD2 3.87Å; V120-F139 HydrophobicContact CG2-CE2 4Å; V120-F139 HydrophobicContact CG2-CG 4.22Å; V120-F139 HydrophobicContact CG2-CZ 4.46Å; L130-F139 HydrophobicContact CD1-CB 4.37Å; L130-F139 HydrophobicContact CD1-CD1 3.67Å; L130-F139 HydrophobicContact CD1-CD2 4.09Å; L130-F139 HydrophobicContact CD1-CE1 3.83Å; L130-F139 HydrophobicContact CD1-CE2 4.23Å; L130-F139 HydrophobicContact CD1-CG 3.8Å; L130-F139 HydrophobicContact CD1-CZ 4.1Å; L130-F139 HydrophobicContact CD2-CE1 4.31Å; L130-F139 HydrophobicContact CD2-CE2 4.23Å; L130-F139 HydrophobicContact CD2-CZ 3.94Å; T135-F139 HydrophobicContact CG2-CD2 4.09Å; T135-F139 HydrophobicContact CG2-CE2 3.95Å; T135-F139 VanDerWaalsContact O-CD2 3.26Å; T135-F139 WeakPolarHBondContact O-CD2 3.41Å; T135-F139 PolarHBondContact O-N 3.37Å; R136-F139 WeakPolarHBondContact O-CB 3.49Å; R136-F139 PolarHBondContact O-N 3.49Å; Y137-F139 VanDerWaalsContact C-N 3.29Å; Y137-F139 PolarHBondContact O-N 2.9Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.99Å; F139-Q142 WeakPolarHBondContact O-CB 3.33Å; F139-Q142 PolarHBondContact O-N 2.88Å; F139-L143 WeakPolarHBondContact O-CG 3.44Å; F139-L143 PolarHBondContact O-N 2.97Å; F139-L221 HydrophobicContact CB-CD1 4.45Å; F139-L221 HydrophobicContact CB-CD2 3.86Å
140V97.6Very high94.9Very high9 Ų928.5 Ų28.56%0.05516%0.155CC..Hα-helixtrans-61.3-41.3174.6173.30000111R136 Y137 Q142 L143 K144 E217 Y220 L221R136-V140 WeakPolarHBondContact O-CG2 3.47Å; R136-V140 PolarHBondContact O-N 3.45Å; Y137-V140 PolarHBondContact O-N 3.21Å; Y137-V140 VanDerWaalsContact O-N 3.13Å; V140-Q142 PolarHBondContact O-N 2.93Å; V140-L143 PolarHBondContact O-N 2.99Å; V140-K144 HydrophobicContact CG1-CD 3.98Å; V140-K144 HydrophobicContact CG1-CG 4.35Å; V140-K144 WeakPolarHBondContact O-CB 3.38Å; V140-K144 WeakPolarHBondContact O-CG 3.49Å; V140-K144 PolarHBondContact O-N 3.06Å; V140-E217 HydrophobicContact CG2-CB 4.02Å; V140-E217 HydrophobicContact CG2-CG 4.09Å; V140-Y220 HydrophobicContact CB-CD1 4.3Å; V140-Y220 HydrophobicContact CB-CE1 4.46Å; V140-Y220 HydrophobicContact CG1-CD1 4Å; V140-Y220 HydrophobicContact CG1-CD2 4.18Å; V140-Y220 HydrophobicContact CG1-CE1 4.06Å; V140-Y220 HydrophobicContact CG1-CE2 4.23Å; V140-Y220 HydrophobicContact CG1-CG 4.08Å; V140-Y220 HydrophobicContact CG2-CD1 3.74Å; V140-Y220 HydrophobicContact CG2-CE1 4.34Å; V140-Y220 HydrophobicContact CG2-CG 4.14Å; V140-L221 HydrophobicContact CG2-CD1 4.29Å; V140-L221 HydrophobicContact CG2-CD2 3.85Å; V140-L221 HydrophobicContact CG2-CG 3.78Å
141L97.3Very high95Very high20 Ų2032.3 Ų32.311%0.10517%0.172CC..Hα-helixtrans-61.1-42.4174.4-70.8177.8000112.9L50 D51 Y137 L138 F139 Q145L50-L141 HydrophobicContact CB-CB 4.21Å; L50-L141 HydrophobicContact CB-CD1 4.38Å; D51-L141 HydrophobicContact CB-CD1 4.1Å; Y137-L141 HydrophobicContact CD1-CD1 4.05Å; Y137-L141 HydrophobicContact CD2-CG 4.46Å; Y137-L141 HydrophobicContact CE1-CD1 3.51Å; Y137-L141 HydrophobicContact CE1-CG 4.27Å; Y137-L141 HydrophobicContact CE2-CD1 4.19Å; Y137-L141 HydrophobicContact CE2-CD2 4.18Å; Y137-L141 HydrophobicContact CE2-CG 4.09Å; Y137-L141 WeakPolarHBondContact O-CG 3.46Å; Y137-L141 PolarHBondContact O-N 2.91Å; L138-L141 HydrophobicContact CD2-CD1 4.42Å; L138-L141 PolarHBondContact O-N 3.44Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.99Å; L141-Q145 WeakPolarHBondContact O-CG 3.43Å; L141-Q145 PolarHBondContact O-N 3.21Å; L141-Q145 VanDerWaalsContact O-N 3.09Å
142Q97.5Very high95.2Very high7 Ų728.7 Ų28.73%0.03316%0.155CC..Hα-helixtrans-61.3-42.8174.2175.969.776.200111.8L50 V120 Y123 L138 F139 V140 Q145 D146L50-Q142 HydrophobicContact CD2-CB 3.97Å; V120-Q142 HydrophobicContact CB-CB 4.49Å; V120-Q142 HydrophobicContact CB-CG 3.96Å; V120-Q142 HydrophobicContact CG2-CB 3.73Å; V120-Q142 HydrophobicContact CG2-CG 3.75Å; Y123-Q142 HydrophobicContact CE1-CG 4.01Å; Y123-Q142 WeakPolarHBondContact OH-CG 3.4Å; L138-Q142 PolarHBondContact O-N 2.98Å; F139-Q142 WeakPolarHBondContact O-CB 3.33Å; F139-Q142 PolarHBondContact O-N 2.88Å; V140-Q142 PolarHBondContact O-N 2.93Å; Q142-Q145 WeakPolarHBondContact O-CB 3.35Å; Q142-Q145 PolarHBondContact O-N 2.79Å; Q142-D146 PolarHBondContact NE2-OD1 3.1Å; Q142-D146 PolarHBondContact O-N 2.92Å
143L97.5Very high95.3Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-71.8-36.5-179.1-68162.7000112.2Y123 F139 V140 Q145 D146 L147 L152 Y220 L221 A224 Y230Y123-L143 HydrophobicContact CD1-CD2 4.45Å; Y123-L143 HydrophobicContact CE1-CD2 4.07Å; F139-L143 WeakPolarHBondContact O-CG 3.44Å; F139-L143 PolarHBondContact O-N 2.97Å; V140-L143 PolarHBondContact O-N 2.99Å; L143-Q145 VanDerWaalsContact C-N 3.29Å; L143-Q145 PolarHBondContact O-N 3.2Å; L143-D146 PolarHBondContact O-N 2.77Å; L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 WeakPolarHBondContact O-CG 3.17Å; L143-L147 PolarHBondContact O-N 3.36Å; L143-L152 HydrophobicContact CD2-CD2 3.72Å; L143-Y220 HydrophobicContact CB-CE1 3.7Å; L143-Y220 HydrophobicContact CD1-CD1 4.49Å; L143-Y220 HydrophobicContact CD1-CE1 3.96Å; L143-Y220 HydrophobicContact CG-CE1 4.5Å; L143-L221 HydrophobicContact CD1-CD2 3.48Å; L143-L221 VanDerWaalsContact CD1-CD2 3.48Å; L143-A224 HydrophobicContact CD1-CB 4.17Å; L143-Y230 HydrophobicContact CD1-CE2 3.93Å; L143-Y230 HydrophobicContact CD2-CD2 3.85Å; L143-Y230 HydrophobicContact CD2-CE2 3.76Å; L143-Y230 HydrophobicContact CG-CE2 4.49Å
144K96.7Very high95.4Very high40 Ų4033.6 Ų33.617%0.17418%0.181CC..Hα-helixtrans-58.8-39.4169-73.9173.768173.90111.4V140 L148 E170 Y220 S372V140-K144 HydrophobicContact CG1-CD 3.98Å; V140-K144 HydrophobicContact CG1-CG 4.35Å; V140-K144 WeakPolarHBondContact O-CB 3.38Å; V140-K144 WeakPolarHBondContact O-CG 3.49Å; V140-K144 PolarHBondContact O-N 3.06Å; K144-L148 VanDerWaalsContact O-CB 3.24Å; K144-L148 WeakPolarHBondContact O-CB 3.18Å; K144-L148 PolarHBondContact O-N 3.27Å; K144-L148 VanDerWaalsContact O-N 3.11Å; K144-E170 IonicContact NZ-OE2 3.02Å; K144-Y220 HydrophobicContact CG-CE2 4.26Å; K144-Y220 PolarHBondContact N-OH 2.86Å; K144-S372 PolarHBondContact NZ-OG 2.84Å
145Q95.8Very high95.5Very high53 Ų5335.7 Ų35.725%0.24820%0.197CC..Hα-helixtrans-68.1-41172.9-69-179.530.400112.7L50 L141 Q142 L143 S149L50-Q145 PolarHBondContact O-NE2 2.99Å; L141-Q145 WeakPolarHBondContact O-CG 3.43Å; L141-Q145 PolarHBondContact O-N 3.21Å; L141-Q145 VanDerWaalsContact O-N 3.09Å; Q142-Q145 WeakPolarHBondContact O-CB 3.35Å; Q142-Q145 PolarHBondContact O-N 2.79Å; L143-Q145 VanDerWaalsContact C-N 3.29Å; L143-Q145 PolarHBondContact O-N 3.2Å; Q145-S149 WeakPolarHBondContact O-CB 3.18Å; Q145-S149 PolarHBondContact O-N 3.21Å; Q145-S149 PolarHBondContact O-OG 3.37Å
146D95.8Very high95.6Very high10 Ų1040.1 Ų40.15%0.05322%0.216CC..Hα-helixtrans-69.8-36.1-178.7-74.96.5000112.4Y123 Q142 L143 S149 G150 K151 L152Y123-D146 PolarHBondContact OH-OD2 3.36Å; Q142-D146 PolarHBondContact NE2-OD1 3.1Å; Q142-D146 PolarHBondContact O-N 2.92Å; L143-D146 PolarHBondContact O-N 2.77Å; D146-S149 PolarHBondContact O-OG 3.46Å; D146-G150 PolarHBondContact O-N 2.9Å; D146-K151 HydrophobicContact CB-CB 4.48Å; D146-K151 HydrophobicContact CB-CD 4.47Å; D146-K151 PolarHBondContact O-N 3.12Å; D146-K151 IonicContact OD1-NZ 2.81Å; D146-K151 IonicContact OD2-NZ 2.91Å; D146-K151 PolarHBondContact OD2-NZ 3.04Å; D146-L152 HydrophobicContact CB-CB 3.88Å; D146-L152 PolarHBondContact O-N 3.4Å
147L96.3Very high95.6Very high9 Ų943.9 Ų43.95%0.04724%0.239CC..Hα-helixtrans-65-54.3170.6-72166.5000111.3L143 S149 G150 L152 C154 L162 Y220 L227L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 WeakPolarHBondContact O-CG 3.17Å; L143-L147 PolarHBondContact O-N 3.36Å; L147-S149 PolarHBondContact O-N 3.24Å; L147-S149 VanDerWaalsContact O-N 3.17Å; L147-G150 PolarHBondContact O-N 3.14Å; L147-L152 HydrophobicContact CD2-CB 4.36Å; L147-L152 HydrophobicContact CD2-CD2 4.24Å; L147-L152 HydrophobicContact CD2-CG 4.06Å; L147-L152 HydrophobicContact CG-CD2 4.26Å; L147-L152 HydrophobicContact CG-CG 4.49Å; L147-C154 HydrophobicContact CD2-CB 3.54Å; L147-L162 HydrophobicContact CD1-CD1 4.16Å; L147-Y220 WeakPolarHBondContact CD1-OH 3.17Å; L147-L227 HydrophobicContact CD2-CD1 4.45Å
148L94.8Very high95.7Very high65 Ų6544 Ų4434%0.3424%0.242SC..Hα-helixtrans-65.4-20.6-176-177.359000113.3K144 R188K144-L148 VanDerWaalsContact O-CB 3.24Å; K144-L148 WeakPolarHBondContact O-CB 3.18Å; K144-L148 PolarHBondContact O-N 3.27Å; K144-L148 VanDerWaalsContact O-N 3.11Å; L148-R188 HydrophobicContact CD1-CB 3.8Å; L148-R188 HydrophobicContact CD2-CB 4.49Å
149S93.4Very high95.7Very high83 Ų8343.7 Ų43.758%0.5824%0.241SC*.THydrogen-bonded Turntrans-92.1-0.4173.157.40000114.4Q145 D146 L147 K151Q145-S149 WeakPolarHBondContact O-CB 3.18Å; Q145-S149 PolarHBondContact O-N 3.21Å; Q145-S149 PolarHBondContact O-OG 3.37Å; D146-S149 PolarHBondContact O-OG 3.46Å; L147-S149 PolarHBondContact O-N 3.24Å; L147-S149 VanDerWaalsContact O-N 3.17Å; S149-K151 PolarHBondContact O-N 2.97Å
150G92.3Very high95.7Very high40 Ų4044.1 Ų44.141%0.41224%0.243SC..THydrogen-bonded Turntrans69.67-17600000114.6D146 L147 L152D146-G150 PolarHBondContact O-N 2.9Å; L147-G150 PolarHBondContact O-N 3.14Å; G150-L152 VanDerWaalsContact C-N 3.34Å
151K92Very high95.7Very high83 Ų8346.1 Ų46.136%0.36125%0.252SS..SBendtrans-69.4-33.4175.4168177.7172.9-69.10111.8D146 S149D146-K151 HydrophobicContact CB-CB 4.48Å; D146-K151 HydrophobicContact CB-CD 4.47Å; D146-K151 PolarHBondContact O-N 3.12Å; D146-K151 IonicContact OD1-NZ 2.81Å; D146-K151 IonicContact OD2-NZ 2.91Å; D146-K151 PolarHBondContact OD2-NZ 3.04Å; S149-K151 PolarHBondContact O-N 2.97Å
152L94.4Very high95.8Very high5 Ų545.2 Ų45.23%0.02625%0.247CC..SBendtrans-108.997.2177-179.654.3000108.6L143 D146 L147 G150 L227 M229L143-L152 HydrophobicContact CD2-CD2 3.72Å; D146-L152 HydrophobicContact CB-CB 3.88Å; D146-L152 PolarHBondContact O-N 3.4Å; L147-L152 HydrophobicContact CD2-CB 4.36Å; L147-L152 HydrophobicContact CD2-CD2 4.24Å; L147-L152 HydrophobicContact CD2-CG 4.06Å; L147-L152 HydrophobicContact CG-CD2 4.26Å; L147-L152 HydrophobicContact CG-CG 4.49Å; G150-L152 VanDerWaalsContact C-N 3.34Å; L152-L227 HydrophobicContact CD1-CB 3.77Å; L152-L227 HydrophobicContact CD1-CD1 4.02Å; L152-L227 HydrophobicContact CD2-CD1 3.99Å; L152-L227 HydrophobicContact CG-CD1 3.9Å; L152-M229 HydrophobicContact CD1-CB 3.91Å
153E92.1Very high95.8Very high150 Ų15045 Ų4570%0.70125%0.246SC*.  trans-64.1140.4173.1-65.8-179.9-170.900110.4
154C94.6Very high95.8Very high34 Ų3445 Ų4523%0.2325%0.246CC..  trans-145.8125.4-171-169.40000111.3L147 A159 L227L147-C154 HydrophobicContact CD2-CB 3.54Å; C154-A159 HydrophobicContact CB-CB 4.45Å; C154-A159 PolarHBondContact SG-N 3.22Å; C154-A159 VanDerWaalsContact SG-N 3.36Å; C154-L227 HydrophobicContact CB-CD1 4.19Å; C154-L227 HydrophobicContact CB-CD2 4.36Å
155P95.9Very high95.9Very high79 Ų7944.2 Ų44.251%0.51324%0.243SC..  trans-60.8149.7172.6-2334.2000112.4D157 T158 A159P155-D157 PolarHBondContact O-N 3.18Å; P155-T158 PolarHBondContact O-N 2.89Å; P155-A159 PolarHBondContact O-N 2.96Å
156F96.1Very high95.9Very high93 Ų9342 Ų4241%0.40823%0.233SC..Hα-helixtrans-47-55.8-175.6-179-87.6000113.4T158 A159 V160 M197 A200F156-T158 VanDerWaalsContact C-N 3.27Å; F156-T158 PolarHBondContact O-N 3.13Å; F156-A159 WeakPolarHBondContact O-CB 3.38Å; F156-A159 PolarHBondContact O-N 3.49Å; F156-A159 VanDerWaalsContact O-N 3.11Å; F156-V160 HydrophobicContact CD1-CG2 4.15Å; F156-V160 HydrophobicContact CE1-CG2 3.82Å; F156-V160 HydrophobicContact CZ-CG2 4.12Å; F156-V160 WeakPolarHBondContact O-CG2 3.22Å; F156-V160 PolarHBondContact O-N 3.08Å; F156-M197 HydrophobicContact CD2-CE 3.36Å; F156-M197 HydrophobicContact CE2-CB 3.85Å; F156-M197 HydrophobicContact CE2-CE 3.63Å; F156-M197 HydrophobicContact CE2-CG 4.2Å; F156-M197 HydrophobicContact CG-CE 4.13Å; F156-M197 HydrophobicContact CZ-CB 4.25Å; F156-A200 HydrophobicContact CE1-CB 4.27Å; F156-A200 HydrophobicContact CZ-CB 4.22Å
157D96.8Very high96Very high110 Ų11041.5 Ų41.559%0.58823%0.231SC*.Hα-helixtrans-62.7-35.5-176.1-45.8-58.2000112.1P155 V160 E161P155-D157 PolarHBondContact O-N 3.18Å; D157-V160 PolarHBondContact O-N 3.46Å; D157-E161 PolarHBondContact O-N 2.91Å
158T97.3Very high96.1Very high23 Ų2341.1 Ų41.114%0.14123%0.229CC..Hα-helixtrans-74.8-35177.2-60.10000111.6P155 F156 V160 E161 L162 K223 L227P155-T158 PolarHBondContact O-N 2.89Å; F156-T158 VanDerWaalsContact C-N 3.27Å; F156-T158 PolarHBondContact O-N 3.13Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-E161 PolarHBondContact O-N 3.48Å; T158-L162 HydrophobicContact CG2-CD1 3.91Å; T158-L162 HydrophobicContact CG2-CG 4.25Å; T158-L162 WeakPolarHBondContact O-CB 3.23Å; T158-L162 WeakPolarHBondContact O-CG 3.5Å; T158-L162 PolarHBondContact O-N 3.49Å; T158-K223 HydrophobicContact CG2-CG 3.8Å; T158-L227 HydrophobicContact CG2-CD2 3.93Å; T158-L227 HydrophobicContact CG2-CG 4.47Å
159A97.4Very high96.1Very high5 Ų538.8 Ų38.84%0.04122%0.218CC..Hα-helixtrans-64.4-39.4172.600000111.4C154 P155 F156 A163 I190 M197C154-A159 HydrophobicContact CB-CB 4.45Å; C154-A159 PolarHBondContact SG-N 3.22Å; C154-A159 VanDerWaalsContact SG-N 3.36Å; P155-A159 PolarHBondContact O-N 2.96Å; F156-A159 WeakPolarHBondContact O-CB 3.38Å; F156-A159 PolarHBondContact O-N 3.49Å; F156-A159 VanDerWaalsContact O-N 3.11Å; A159-A163 VanDerWaalsContact O-CB 3.26Å; A159-A163 WeakPolarHBondContact O-CB 3.1Å; A159-A163 PolarHBondContact O-N 2.89Å; A159-I190 HydrophobicContact CB-CG2 4.2Å; A159-M197 HydrophobicContact CB-CE 4.17Å
160V98Very high96.2Very high8 Ų837.1 Ų37.15%0.04820%0.201CC..Hα-helixtrans-60.3-51.2174167.70000111.4F156 D157 T158 A163 A164 M197 A200 I201F156-V160 HydrophobicContact CD1-CG2 4.15Å; F156-V160 HydrophobicContact CE1-CG2 3.82Å; F156-V160 HydrophobicContact CZ-CG2 4.12Å; F156-V160 WeakPolarHBondContact O-CG2 3.22Å; F156-V160 PolarHBondContact O-N 3.08Å; D157-V160 PolarHBondContact O-N 3.46Å; T158-V160 VanDerWaalsContact C-N 3.33Å; V160-A163 PolarHBondContact O-N 3.15Å; V160-A164 WeakPolarHBondContact O-CB 3.15Å; V160-A164 PolarHBondContact O-N 3.34Å; V160-M197 HydrophobicContact CG2-CG 4.01Å; V160-A200 HydrophobicContact CB-CB 4.49Å; V160-A200 HydrophobicContact CG1-CB 3.91Å; V160-A200 HydrophobicContact CG2-CB 3.68Å; V160-I201 HydrophobicContact CB-CG1 4.38Å; V160-I201 HydrophobicContact CG1-CG1 4.34Å; V160-I201 HydrophobicContact CG2-CG1 4.24Å
161E98.1Very high96.3Very high52 Ų5237.3 Ų37.324%0.24319%0.193CC..Hα-helixtrans-60.1-47176.5-76.3179.1-129.700112.6D157 T158 A163 A164 F165 T204 K223D157-E161 PolarHBondContact O-N 2.91Å; T158-E161 PolarHBondContact O-N 3.48Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.43Å; E161-A164 PolarHBondContact O-N 3.05Å; E161-F165 HydrophobicContact CB-CE2 4.11Å; E161-F165 WeakPolarHBondContact O-CD2 3.04Å; E161-F165 WeakPolarHBondContact O-CG 3.38Å; E161-F165 PolarHBondContact O-N 3.02Å; E161-T204 HydrophobicContact CG-CG2 4.37Å; E161-K223 WeakPolarHBondContact OE1-CE 3.49Å; E161-K223 IonicContact OE1-NZ 3.82Å; E161-K223 PolarHBondContact OE1-NZ 2.97Å; E161-K223 VanDerWaalsContact OE2-CD 3.29Å; E161-K223 WeakPolarHBondContact OE2-CD 3.09Å; E161-K223 WeakPolarHBondContact OE2-CE 3.18Å; E161-K223 IonicContact OE2-NZ 3.79Å; E161-K223 PolarHBondContact OE2-NZ 3.03Å
162L98.3Very high96.5Very high1 Ų134.5 Ų34.51%0.00519%0.188CC..Hα-helixtrans-64.4-34.6-179.5-69.5175.3000112.3L147 T158 S166 Y220 K223 A224 L227L147-L162 HydrophobicContact CD1-CD1 4.16Å; T158-L162 HydrophobicContact CG2-CD1 3.91Å; T158-L162 HydrophobicContact CG2-CG 4.25Å; T158-L162 WeakPolarHBondContact O-CB 3.23Å; T158-L162 WeakPolarHBondContact O-CG 3.5Å; T158-L162 PolarHBondContact O-N 3.49Å; L162-S166 WeakPolarHBondContact O-CB 3.49Å; L162-S166 PolarHBondContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 3.36Å; L162-Y220 HydrophobicContact CB-CD2 4.02Å; L162-Y220 HydrophobicContact CB-CE2 3.7Å; L162-Y220 HydrophobicContact CD2-CD1 3.88Å; L162-Y220 HydrophobicContact CD2-CD2 3.62Å; L162-Y220 HydrophobicContact CD2-CE1 4.06Å; L162-Y220 HydrophobicContact CD2-CE2 3.83Å; L162-Y220 HydrophobicContact CD2-CG 3.64Å; L162-Y220 VanDerWaalsContact CD2-O 3.28Å; L162-Y220 WeakPolarHBondContact CD2-O 3.29Å; L162-Y220 HydrophobicContact CG-CD2 4.43Å; L162-Y220 HydrophobicContact CG-CE2 4.3Å; L162-Y220 VanDerWaalsContact O-CD2 3.24Å; L162-Y220 WeakPolarHBondContact O-CD2 3.28Å; L162-Y220 VanDerWaalsContact O-CE2 3.26Å; L162-Y220 WeakPolarHBondContact O-CE2 3.24Å; L162-K223 HydrophobicContact CD2-CB 4.08Å; L162-A224 HydrophobicContact CD1-CB 4.28Å; L162-A224 HydrophobicContact CD2-CB 4Å; L162-L227 HydrophobicContact CD1-CD1 4.1Å
163A97.8Very high96.5Very high1 Ų137.3 Ų37.31%0.00820%0.203CC..Hα-helixtrans-71.4-41.1172.700000112.3A159 V160 E161 S166 L167 F189 I201A159-A163 VanDerWaalsContact O-CB 3.26Å; A159-A163 WeakPolarHBondContact O-CB 3.1Å; A159-A163 PolarHBondContact O-N 2.89Å; V160-A163 PolarHBondContact O-N 3.15Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.43Å; A163-S166 WeakPolarHBondContact O-CA 3.31Å; A163-S166 WeakPolarHBondContact O-CB 3.3Å; A163-S166 PolarHBondContact O-N 2.84Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A163-L167 PolarHBondContact O-N 3.5Å; A163-F189 HydrophobicContact CB-CB 3.94Å; A163-F189 HydrophobicContact CB-CD1 3.62Å; A163-F189 HydrophobicContact CB-CD2 3.58Å; A163-F189 HydrophobicContact CB-CE1 3.96Å; A163-F189 HydrophobicContact CB-CE2 3.93Å; A163-F189 HydrophobicContact CB-CG 3.41Å; A163-F189 VanDerWaalsContact CB-CG 3.41Å; A163-F189 HydrophobicContact CB-CZ 4.11Å; A163-I201 HydrophobicContact CB-CB 4.5Å; A163-I201 HydrophobicContact CB-CD1 3.52Å; A163-I201 HydrophobicContact CB-CG1 3.7Å; A163-I201 HydrophobicContact CB-CG2 3.95Å
164A97.9Very high96.7Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-61.7-45.3175.200000112.3V160 E161 S166 L167 Q168 T204 W205V160-A164 WeakPolarHBondContact O-CB 3.15Å; V160-A164 PolarHBondContact O-N 3.34Å; E161-A164 PolarHBondContact O-N 3.05Å; A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 2.86Å; A164-L167 PolarHBondContact O-N 3.28Å; A164-Q168 PolarHBondContact O-N 3.46Å; A164-T204 HydrophobicContact CB-CG2 3.72Å; A164-W205 HydrophobicContact CB-CB 4.24Å
165F98.4Very high96.6Very high25 Ų2532.5 Ų32.511%0.1118%0.18CC..Hα-helixtrans-62.2-34.7171.5-64.1-48.8000112.3E161 A169 A216 N219 Y220E161-F165 HydrophobicContact CB-CE2 4.11Å; E161-F165 WeakPolarHBondContact O-CD2 3.04Å; E161-F165 WeakPolarHBondContact O-CG 3.38Å; E161-F165 PolarHBondContact O-N 3.02Å; F165-A169 VanDerWaalsContact O-CB 3.31Å; F165-A169 WeakPolarHBondContact O-CB 3.36Å; F165-A169 PolarHBondContact O-N 3.26Å; F165-A216 HydrophobicContact CB-CB 4.5Å; F165-N219 HydrophobicContact CD1-CB 3.99Å; F165-N219 HydrophobicContact CD2-CB 4.38Å; F165-N219 HydrophobicContact CE1-CB 3.69Å; F165-N219 HydrophobicContact CE2-CB 4.11Å; F165-N219 HydrophobicContact CG-CB 4.35Å; F165-N219 HydrophobicContact CZ-CB 3.76Å; F165-Y220 HydrophobicContact CB-CD2 4.29Å
166S97.4Very high96.2Very high5 Ų532.5 Ų32.54%0.03518%0.18CC..Hα-helixtrans-66.6-35.6175.6-63.80000112.9L162 A163 A164 E170 Y220L162-S166 WeakPolarHBondContact O-CB 3.49Å; L162-S166 PolarHBondContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 3.36Å; A163-S166 WeakPolarHBondContact O-CA 3.31Å; A163-S166 WeakPolarHBondContact O-CB 3.3Å; A163-S166 PolarHBondContact O-N 2.84Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 2.86Å; S166-E170 PolarHBondContact O-N 3.04Å; S166-Y220 WeakPolarHBondContact OG-CE2 3.17Å
167L96.9Very high95.8Very high1 Ų135.3 Ų35.31%0.00520%0.199CC..Hα-helixtrans-72.4-47.2174.1-69.9173.1000111.2A163 A164 A169 E170 L171 V184 F187 F189 I201 W205A163-L167 PolarHBondContact O-N 3.5Å; A164-L167 PolarHBondContact O-N 3.28Å; L167-A169 PolarHBondContact O-N 3.48Å; L167-E170 PolarHBondContact O-N 3.49Å; L167-L171 HydrophobicContact CD2-CD1 3.96Å; L167-L171 PolarHBondContact O-N 2.95Å; L167-V184 HydrophobicContact CD1-CG1 4.32Å; L167-V184 HydrophobicContact CD1-CG2 4.1Å; L167-F187 HydrophobicContact CD2-CD1 4.4Å; L167-F187 HydrophobicContact CD2-CD2 3.65Å; L167-F187 HydrophobicContact CD2-CE1 4.37Å; L167-F187 HydrophobicContact CD2-CE2 3.63Å; L167-F187 HydrophobicContact CD2-CG 4.06Å; L167-F187 HydrophobicContact CD2-CZ 4.01Å; L167-F189 HydrophobicContact CD1-CZ 4.28Å; L167-F189 HydrophobicContact CD2-CZ 3.9Å; L167-F189 HydrophobicContact CG-CZ 3.86Å; L167-I201 HydrophobicContact CD1-CG2 3.54Å; L167-W205 HydrophobicContact CB-CD2 3.73Å; L167-W205 HydrophobicContact CB-CE3 4.17Å; L167-W205 HydrophobicContact CB-CG 3.94Å; L167-W205 HydrophobicContact CB-CZ2 4.45Å; L167-W205 HydrophobicContact CD1-CB 4.48Å; L167-W205 HydrophobicContact CD1-CD2 3.99Å; L167-W205 HydrophobicContact CD1-CE3 3.69Å; L167-W205 HydrophobicContact CD1-CG 4.34Å; L167-W205 HydrophobicContact CD1-CZ3 4.29Å; L167-W205 HydrophobicContact CG-CD2 4.48Å; L167-W205 HydrophobicContact CG-CE3 4.47Å
168Q97.6Very high95.3Very high1 Ų137.1 Ų37.11%0.00520%0.204CC..Hα-helixtrans-57.6-36.1176.7-174.668.530.500112.2A164 E170 G172 D173 C208 Q211 A216A164-Q168 PolarHBondContact O-N 3.46Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; Q168-G172 VanDerWaalsContact O-CA 3.31Å; Q168-G172 WeakPolarHBondContact O-CA 3.45Å; Q168-G172 PolarHBondContact O-N 3.36Å; Q168-G172 PolarHBondContact OE1-O 3.32Å; Q168-G172 VanDerWaalsContact OE1-O 3.1Å; Q168-D173 PolarHBondContact NE2-OD1 2.89Å; Q168-C208 HydrophobicContact CB-CB 3.91Å; Q168-C208 VanDerWaalsContact CD-O 3.26Å; Q168-C208 HydrophobicContact CG-CB 3.86Å; Q168-C208 PolarHBondContact NE2-O 2.9Å; Q168-C208 PolarHBondContact OE1-O 2.8Å; Q168-Q211 HydrophobicContact CG-CB 4.03Å; Q168-Q211 PolarHBondContact NE2-O 3.24Å; Q168-A216 HydrophobicContact CB-CB 4.2Å; Q168-A216 HydrophobicContact CG-CB 4.13Å
169A96.6Very high94.9Very high15 Ų1537.3 Ų37.312%0.12420%0.203CC..Hα-helixtrans-74.6-18.1177.800000114.9F165 L167 P213 A216 E217F165-A169 VanDerWaalsContact O-CB 3.31Å; F165-A169 WeakPolarHBondContact O-CB 3.36Å; F165-A169 PolarHBondContact O-N 3.26Å; L167-A169 PolarHBondContact O-N 3.48Å; A169-P213 HydrophobicContact CB-CB 4.25Å; A169-P213 WeakPolarHBondContact O-CB 3.4Å; A169-A216 HydrophobicContact CB-CB 4.07Å; A169-E217 HydrophobicContact CB-CG 4.32Å
170E94.9Very high94.3Very high48 Ų4841.2 Ų41.222%0.22422%0.223CC..Hα-helixtrans-111.7-37-174.8-173.7173.8149.800113.6K144 S166 L167 Q168 F187 P371 S372K144-E170 IonicContact NZ-OE2 3.02Å; S166-E170 PolarHBondContact O-N 3.04Å; L167-E170 PolarHBondContact O-N 3.49Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; E170-F187 WeakPolarHBondContact OE1-CE1 3.5Å; E170-P371 WeakPolarHBondContact OE1-CA 3.32Å; E170-S372 PolarHBondContact OE1-N 3.45Å; E170-S372 WeakPolarHBondContact OE2-CB 3.16Å; E170-S372 PolarHBondContact OE2-N 2.99Å; E170-S372 PolarHBondContact OE2-OG 3.25Å
171L94.8Very high93.8Very high45 Ų4542.6 Ų42.624%0.23623%0.23CC..Hα-helixtrans-108.2-15.5-177.2-55.9-177.8000112.8L167 L183 F187 W205L167-L171 HydrophobicContact CD2-CD1 3.96Å; L167-L171 PolarHBondContact O-N 2.95Å; L171-L183 HydrophobicContact CD1-CD2 4.01Å; L171-L183 HydrophobicContact CD1-CG 4.41Å; L171-F187 HydrophobicContact CD1-CE2 4.08Å; L171-F187 HydrophobicContact CD1-CZ 4.04Å; L171-F187 HydrophobicContact CD2-CZ 4.34Å; L171-F187 HydrophobicContact CG-CZ 4.39Å; L171-W205 HydrophobicContact CB-CH2 4.06Å; L171-W205 HydrophobicContact CB-CZ2 3.68Å; L171-W205 HydrophobicContact CD1-CH2 3.53Å; L171-W205 HydrophobicContact CD1-CZ2 3.97Å; L171-W205 HydrophobicContact CD1-CZ3 4.26Å; L171-W205 HydrophobicContact CG-CH2 4.45Å; L171-W205 HydrophobicContact CG-CZ2 4.44Å
172G95.1Very high93.3Very high24 Ų2443.2 Ų43.225%0.24724%0.235CC..  trans77.8-149-173.200000112.6Q168 W205Q168-G172 VanDerWaalsContact O-CA 3.31Å; Q168-G172 WeakPolarHBondContact O-CA 3.45Å; Q168-G172 PolarHBondContact O-N 3.36Å; Q168-G172 PolarHBondContact OE1-O 3.32Å; Q168-G172 VanDerWaalsContact OE1-O 3.1Å; G172-W205 PolarHBondContact O-NE1 2.86Å
173D95.9Very high92.9Very high64 Ų6443.9 Ų43.934%0.34224%0.238SC..SBendtrans-64.3135-176.6-81.67.6000112.7Q168 D175 H179 R209 G210Q168-D173 PolarHBondContact NE2-OD1 2.89Å; D173-D175 PolarHBondContact O-N 3.38Å; D173-H179 PolarHBondContact O-CE1 2.69Å; D173-R209 HydrophobicContact CB-CG 4.13Å; D173-R209 VanDerWaalsContact CG-CG 3.4Å; D173-R209 WeakPolarHBondContact OD2-CG 3.49Å; D173-R209 IonicContact OD2-NE 3.78Å; D173-R209 PolarHBondContact OD2-NE 3.42Å; D173-G210 PolarHBondContact OD1-N 3.43Å; D173-G210 PolarHBondContact OD2-N 2.85Å
174C94.6Very high92.7Very high13 Ų1343.8 Ų43.89%0.08824%0.238CC..  trans-73.292.3176.1-171.70000112.5P176 Y202 W205 K206C174-P176 WeakPolarHBondContact O-CD 3.36Å; C174-Y202 WeakPolarHBondContact SG-CE2 3.38Å; C174-W205 HydrophobicContact CB-CD2 3.59Å; C174-W205 HydrophobicContact CB-CE3 4.03Å; C174-W205 HydrophobicContact CB-CG 3.85Å; C174-W205 HydrophobicContact CB-CH2 4.45Å; C174-W205 HydrophobicContact CB-CZ2 4.03Å; C174-W205 HydrophobicContact CB-CZ3 4.45Å; C174-K206 HydrophobicContact CB-CG 3.84Å; C174-K206 VanDerWaalsContact SG-CG 3.57Å
175D92.3Very high92.4Very high69 Ų6943.8 Ų43.837%0.36924%0.238SC..  trans-75117.5162.4-166.9-35.8000111.5D173 L177 E178 H179D173-D175 PolarHBondContact O-N 3.38Å; D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact OD1-CB 3.31Å; D175-L177 WeakPolarHBondContact OD1-CB 3.33Å; D175-L177 PolarHBondContact OD1-N 2.77Å; D175-E178 PolarHBondContact O-N 3.14Å; D175-H179 PolarHBondContact N-ND1 2.9Å; D175-H179 VanDerWaalsContact O-CB 3.25Å; D175-H179 WeakPolarHBondContact O-CB 3.36Å; D175-H179 PolarHBondContact O-N 3.04Å; D175-H179 PolarHBondContact O-ND1 2.96Å
176P87.9Confident92.1Very high79 Ų7943.8 Ų43.851%0.51324%0.238SC..THydrogen-bonded Turntrans-67.5-9.5178.5-21.135.4000116.2C174 Y202 K206C174-P176 WeakPolarHBondContact O-CD 3.36Å; P176-Y202 WeakPolarHBondContact CA-OH 3.41Å; P176-Y202 WeakPolarHBondContact CB-OH 3.3Å; P176-K206 HydrophobicContact CG-CD 4.47Å
177L87.1Confident91.9Very high152 Ų15243.7 Ų43.780%0.79624%0.237SC*.THydrogen-bonded Turntrans-83.7-36.3176.6-60.9175.6000111.7D175D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact OD1-CB 3.31Å; D175-L177 WeakPolarHBondContact OD1-CB 3.33Å; D175-L177 PolarHBondContact OD1-N 2.77Å
178E86.4Confident91.8Very high149 Ų14947.4 Ų47.470%0.69625%0.251SS*.THydrogen-bonded Turntrans-94.4-42.6178.8-56.6-164.3150.200111.3D175 N180D175-E178 PolarHBondContact O-N 3.14Å; E178-N180 PolarHBondContact O-ND2 2.74Å
179H89.8Confident91.6Very high26 Ų2648.2 Ų48.212%0.1225%0.254CS..  trans-92.5111.8-174.7-54.7134.6000111.7D173 D175 L183 Y202 W205D173-H179 PolarHBondContact O-CE1 2.69Å; D175-H179 PolarHBondContact N-ND1 2.9Å; D175-H179 VanDerWaalsContact O-CB 3.25Å; D175-H179 WeakPolarHBondContact O-CB 3.36Å; D175-H179 PolarHBondContact O-N 3.04Å; D175-H179 PolarHBondContact O-ND1 2.96Å; H179-L183 HydrophobicContact CB-CD2 4.1Å; H179-L183 WeakPolarHBondContact CD2-CD2 3.36Å; H179-Y202 WeakPolarHBondContact O-CE2 3.04Å; H179-Y202 PolarHBondContact O-OH 2.85Å; H179-W205 HydrophobicContact CB-CH2 3.78Å; H179-W205 HydrophobicContact CB-CZ3 3.81Å; H179-W205 AromaticContact CD2-CH2 3.76Å; H179-W205 AromaticContact CE1-CH2 3.79Å; H179-W205 AromaticContact CE1-CZ2 3.95Å; H179-W205 AromaticContact CG-CH2 3.38Å; H179-W205 AromaticContact CG-CZ3 3.97Å; H179-W205 AromaticContact ND1-CH2 3.43Å; H179-W205 WeakPolarHBondContact ND1-CH2 3.26Å; H179-W205 AromaticContact ND1-CZ2 3.81Å; H179-W205 AromaticContact NE2-CH2 3.96Å
180N85.8Confident91.5Very high87 Ų8748.9 Ų48.947%0.46526%0.256SS..  trans-106.4160.6179.6-73.6-104.3000110.4E178 D182 L183E178-N180 PolarHBondContact O-ND2 2.74Å; N180-D182 VanDerWaalsContact C-N 3.26Å; N180-D182 PolarHBondContact O-N 2.77Å; N180-L183 WeakPolarHBondContact O-CB 3.34Å; N180-L183 PolarHBondContact O-N 3.31Å
181L86.9Confident91.3Very high37 Ų3750.7 Ų50.719%0.19427%0.271CS..Hα-helixtrans-51.9-43.5178.2-76.9161.9000112.9L183 V184 L199 Y202 F386L181-L183 PolarHBondContact O-N 3.36Å; L181-V184 WeakPolarHBondContact O-CB 3.34Å; L181-V184 PolarHBondContact O-N 2.76Å; L181-L199 HydrophobicContact CD1-CD1 4.14Å; L181-L199 HydrophobicContact CD2-CB 4.21Å; L181-L199 HydrophobicContact CD2-CD1 3.77Å; L181-Y202 HydrophobicContact CD2-CD1 3.69Å; L181-Y202 HydrophobicContact CD2-CG 3.76Å; L181-Y202 HydrophobicContact CG-CD1 4.1Å; L181-Y202 HydrophobicContact CG-CG 4.36Å; L181-F386 HydrophobicContact CD1-CE2 4.14Å; L181-F386 HydrophobicContact CD1-CZ 3.99Å
182D86.7Confident91Very high66 Ų6656.5 Ų56.535%0.35330%0.298SS..Hα-helixtrans-48.2-30.7173.1-6813.4000114.9N180 S185 E186 R377N180-D182 VanDerWaalsContact C-N 3.26Å; N180-D182 PolarHBondContact O-N 2.77Å; D182-S185 WeakPolarHBondContact O-CB 3.12Å; D182-S185 PolarHBondContact O-N 3.33Å; D182-E186 PolarHBondContact O-N 3.42Å; D182-R377 IonicContact OD2-NH1 3.88Å; D182-R377 PolarHBondContact OD2-NH1 3.35Å
183L90.8Very high90.9Very high14 Ų1455.6 Ų55.67%0.07329%0.287CS..Hα-helixtrans-69.2-35.3179.3178.559.7000111.1L171 H179 N180 L181 S185 E186 F187 W205L171-L183 HydrophobicContact CD1-CD2 4.01Å; L171-L183 HydrophobicContact CD1-CG 4.41Å; H179-L183 HydrophobicContact CB-CD2 4.1Å; H179-L183 WeakPolarHBondContact CD2-CD2 3.36Å; N180-L183 WeakPolarHBondContact O-CB 3.34Å; N180-L183 PolarHBondContact O-N 3.31Å; L181-L183 PolarHBondContact O-N 3.36Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å; L183-E186 HydrophobicContact CD1-CG 4.46Å; L183-E186 VanDerWaalsContact O-CB 3.32Å; L183-E186 WeakPolarHBondContact O-CB 3.3Å; L183-E186 PolarHBondContact O-N 2.86Å; L183-E186 VanDerWaalsContact O-N 3.16Å; L183-F187 HydrophobicContact CD1-CE2 4.23Å; L183-F187 HydrophobicContact CG-CE2 4.39Å; L183-F187 WeakPolarHBondContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CE2 3.48Å; L183-W205 HydrophobicContact CD2-CH2 4.42Å
184V92.4Very high90.7Very high0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-64.2-35.8175.6-174.10000110.2L167 L181 E186 F187 F189 E198 I201L167-V184 HydrophobicContact CD1-CG1 4.32Å; L167-V184 HydrophobicContact CD1-CG2 4.1Å; L181-V184 WeakPolarHBondContact O-CB 3.34Å; L181-V184 PolarHBondContact O-N 2.76Å; V184-E186 PolarHBondContact O-N 2.92Å; V184-F187 PolarHBondContact O-N 2.85Å; V184-F189 HydrophobicContact CG1-CE2 4.09Å; V184-E198 HydrophobicContact CB-CB 4.4Å; V184-E198 HydrophobicContact CG1-CB 4.12Å; V184-E198 HydrophobicContact CG1-CG 4.1Å; V184-I201 HydrophobicContact CG1-CB 4.02Å; V184-I201 HydrophobicContact CG1-CD1 4.38Å; V184-I201 HydrophobicContact CG1-CG2 3.68Å
185S91.6Very high90.6Very high0 Ų057.2 Ų57.20%030%0.296CS..THydrogen-bonded Turntrans-66.6-17.2175.5-39.60000114.7D182 L183 R188 E198 M380D182-S185 WeakPolarHBondContact O-CB 3.12Å; D182-S185 PolarHBondContact O-N 3.33Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å; S185-R188 PolarHBondContact O-NH2 2.93Å; S185-E198 VanDerWaalsContact CB-OE2 3.27Å; S185-E198 WeakPolarHBondContact CB-OE2 3.44Å; S185-E198 PolarHBondContact OG-OE2 2.73Å; S185-M380 VanDerWaalsContact OG-CE 3.26Å; S185-M380 WeakPolarHBondContact OG-CE 3.3Å
186E93.1Very high90.7Very high24 Ų2459.4 Ų59.411%0.11231%0.307CS..THydrogen-bonded Turntrans-69.5-22.8169.8-61.1-177.9-167.200111.5D182 L183 V184 R374 Y375 R377D182-E186 PolarHBondContact O-N 3.42Å; L183-E186 HydrophobicContact CD1-CG 4.46Å; L183-E186 VanDerWaalsContact O-CB 3.32Å; L183-E186 WeakPolarHBondContact O-CB 3.3Å; L183-E186 PolarHBondContact O-N 2.86Å; L183-E186 VanDerWaalsContact O-N 3.16Å; V184-E186 PolarHBondContact O-N 2.92Å; E186-R374 HydrophobicContact CB-CB 4.35Å; E186-R374 HydrophobicContact CB-CG 4.38Å; E186-R374 CarbonylContact O-C 3.56Å; E186-R374 WeakPolarHBondContact O-CA 3.14Å; E186-R374 WeakPolarHBondContact OE2-CD 3.34Å; E186-R374 IonicContact OE2-CZ 3.24Å; E186-R374 IonicContact OE2-NE 3.68Å; E186-R374 IonicContact OE2-NH1 3.36Å; E186-R374 PolarHBondContact OE2-NH1 3.05Å; E186-Y375 PolarHBondContact O-N 3.49Å; E186-R377 HydrophobicContact CG-CG 3.73Å; E186-R377 IonicContact OE1-CZ 3.36Å; E186-R377 IonicContact OE1-NE 2.77Å; E186-R377 PolarHBondContact OE1-NE 2.9Å; E186-R377 IonicContact OE1-NH2 3.84Å; E186-R377 PolarHBondContact OE1-NH2 2.8Å
187F94Very high91.1Very high3 Ų356 Ų561%0.01329%0.285CS..SBendtrans-96.7159.6177.6-60-91.7000111.5L167 E170 L171 L183 V184 F189 Q193L167-F187 HydrophobicContact CD2-CD1 4.4Å; L167-F187 HydrophobicContact CD2-CD2 3.65Å; L167-F187 HydrophobicContact CD2-CE1 4.37Å; L167-F187 HydrophobicContact CD2-CE2 3.63Å; L167-F187 HydrophobicContact CD2-CG 4.06Å; L167-F187 HydrophobicContact CD2-CZ 4.01Å; E170-F187 WeakPolarHBondContact OE1-CE1 3.5Å; L171-F187 HydrophobicContact CD1-CE2 4.08Å; L171-F187 HydrophobicContact CD1-CZ 4.04Å; L171-F187 HydrophobicContact CD2-CZ 4.34Å; L171-F187 HydrophobicContact CG-CZ 4.39Å; L183-F187 HydrophobicContact CD1-CE2 4.23Å; L183-F187 HydrophobicContact CG-CE2 4.39Å; L183-F187 WeakPolarHBondContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CE2 3.48Å; V184-F187 PolarHBondContact O-N 2.85Å; F187-F189 HydrophobicContact CB-CD2 4.39Å; F187-F189 HydrophobicContact CB-CE1 4.07Å; F187-F189 HydrophobicContact CB-CE2 3.57Å; F187-F189 HydrophobicContact CB-CZ 3.38Å; F187-F189 HydrophobicContact CD1-CZ 4.5Å; F187-F189 HydrophobicContact CG-CE2 4.49Å; F187-F189 AromaticContact CG-CZ 3.93Å; F187-F189 HydrophobicContact CG-CZ 3.93Å; F187-Q193 PolarHBondContact O-NE2 2.97Å
188R93.6Very high91.5Very high80 Ų8048.8 Ų48.830%0.30225%0.247SC..  trans-133.3110.6173.1-59.3-63.4156.996.84.2109.4L148 S185 Y375 S376L148-R188 HydrophobicContact CD1-CB 3.8Å; L148-R188 HydrophobicContact CD2-CB 4.49Å; S185-R188 PolarHBondContact O-NH2 2.93Å; R188-Y375 HydrophobicContact CB-CD2 4.48Å; R188-Y375 HydrophobicContact CB-CE2 4.27Å; R188-Y375 HydrophobicContact CG-CD2 3.73Å; R188-Y375 HydrophobicContact CG-CE2 3.9Å; R188-Y375 HydrophobicContact CG-CG 4.07Å; R188-S376 PolarHBondContact NH2-O 2.8Å
189F93.8Very high91.9Very high17 Ų1745.2 Ų45.28%0.07523%0.232CC..SBendtrans-99.5-34.3-177-54.4-75.2000112.3A163 L167 V184 F187 Q193 I201A163-F189 HydrophobicContact CB-CB 3.94Å; A163-F189 HydrophobicContact CB-CD1 3.62Å; A163-F189 HydrophobicContact CB-CD2 3.58Å; A163-F189 HydrophobicContact CB-CE1 3.96Å; A163-F189 HydrophobicContact CB-CE2 3.93Å; A163-F189 HydrophobicContact CB-CG 3.41Å; A163-F189 VanDerWaalsContact CB-CG 3.41Å; A163-F189 HydrophobicContact CB-CZ 4.11Å; L167-F189 HydrophobicContact CD1-CZ 4.28Å; L167-F189 HydrophobicContact CD2-CZ 3.9Å; L167-F189 HydrophobicContact CG-CZ 3.86Å; V184-F189 HydrophobicContact CG1-CE2 4.09Å; F187-F189 HydrophobicContact CB-CD2 4.39Å; F187-F189 HydrophobicContact CB-CE1 4.07Å; F187-F189 HydrophobicContact CB-CE2 3.57Å; F187-F189 HydrophobicContact CB-CZ 3.38Å; F187-F189 HydrophobicContact CD1-CZ 4.5Å; F187-F189 HydrophobicContact CG-CE2 4.49Å; F187-F189 AromaticContact CG-CZ 3.93Å; F187-F189 HydrophobicContact CG-CZ 3.93Å; F189-Q193 VanDerWaalsContact CD2-OE1 3.3Å; F189-I201 HydrophobicContact CD2-CD1 3.85Å; F189-I201 HydrophobicContact CE2-CD1 4.18Å; F189-I201 HydrophobicContact CE2-CG2 4.46Å
190I94.4Very high92.3Very high30 Ų3045.1 Ų45.115%0.15424%0.236CC..SBendtrans-135.2164.7177.663.5158.3000110.5A159 Q193 M197A159-I190 HydrophobicContact CB-CG2 4.2Å; I190-Q193 HydrophobicContact CG1-CB 4.03Å; I190-M197 HydrophobicContact CD1-CE 3.66Å; I190-M197 HydrophobicContact CD1-SD 3.5Å; I190-M197 VanDerWaalsContact CD1-SD 3.5Å; I190-M197 HydrophobicContact CG1-SD 3.9Å
191P91.3Very high92.8Very high85 Ų8541 Ų4155%0.55221%0.213SC*.THydrogen-bonded Turntrans-60.9-45.2177.3-23.333.6000113.6
192E88.4Confident93.3Very high168 Ų16840.4 Ų40.479%0.78521%0.209SC*.THydrogen-bonded Turntrans-106.451-171.8-62.1-171.6177.700112.4T194E192-T194 PolarHBondContact O-N 3.16Å
193Q91.6Very high93.8Very high5 Ų540.5 Ų40.52%0.02321%0.209CC..  trans-69.5118.3-178.7-168177.6-68.500111.6F187 F189 I190 E198 R378F187-Q193 PolarHBondContact O-NE2 2.97Å; F189-Q193 VanDerWaalsContact CD2-OE1 3.3Å; I190-Q193 HydrophobicContact CG1-CB 4.03Å; Q193-E198 HydrophobicContact CG-CG 3.95Å; Q193-E198 WeakPolarHBondContact CG-OE1 3.45Å; Q193-E198 PolarHBondContact NE2-OE1 2.94Å; Q193-R378 PolarHBondContact O-NH1 2.93Å; Q193-R378 PolarHBondContact O-NH2 2.87Å
194T93.3Very high94.1Very high64 Ų6441.2 Ų41.239%0.39322%0.215SC..  trans-98164.8-177.461.20000113.5E192 D196 M197 E198E192-T194 PolarHBondContact O-N 3.16Å; T194-D196 VanDerWaalsContact C-N 3.31Å; T194-D196 PolarHBondContact O-N 2.77Å; T194-M197 PolarHBondContact O-N 3.38Å; T194-M197 WeakPolarHBondContact OG1-CB 3.38Å; T194-M197 PolarHBondContact OG1-N 2.9Å; T194-E198 WeakPolarHBondContact O-CG 3.49Å; T194-E198 PolarHBondContact O-N 3.3Å
195E92.1Very high94.3Very high47 Ų4741.2 Ų41.222%0.2222%0.215CC..Hα-helixtrans-60.2-40.4173.8-58.9-170.5177.900111.2M197 E198 L199 M380 Q381 N382E195-M197 PolarHBondContact O-N 2.93Å; E195-E198 PolarHBondContact O-N 3.15Å; E195-L199 PolarHBondContact O-N 2.96Å; E195-M380 HydrophobicContact CB-SD 3.97Å; E195-M380 VanDerWaalsContact CD-SD 3.54Å; E195-M380 HydrophobicContact CG-SD 3.62Å; E195-M380 WeakPolarHBondContact OE1-CA 3.5Å; E195-Q381 PolarHBondContact OE1-N 2.92Å; E195-Q381 PolarHBondContact OE2-N 2.95Å; E195-N382 PolarHBondContact OE2-N 3.49Å
196D94.6Very high94.5Very high114 Ų11444.9 Ų44.961%0.6123%0.23SC*.Hα-helixtrans-64.8-36.9176.3-57.5-52.6000112.9T194 L199 A200T194-D196 VanDerWaalsContact C-N 3.31Å; T194-D196 PolarHBondContact O-N 2.77Å; D196-L199 PolarHBondContact O-N 3.39Å; D196-A200 PolarHBondContact O-N 3.48Å
197M95.2Very high94.7Very high9 Ų950.8 Ų50.84%0.04426%0.258CS..Hα-helixtrans-68.1-41.1174.1-175.7174.9-78.200111.1F156 A159 V160 I190 T194 E195 L199 A200 I201F156-M197 HydrophobicContact CD2-CE 3.36Å; F156-M197 HydrophobicContact CE2-CB 3.85Å; F156-M197 HydrophobicContact CE2-CE 3.63Å; F156-M197 HydrophobicContact CE2-CG 4.2Å; F156-M197 HydrophobicContact CG-CE 4.13Å; F156-M197 HydrophobicContact CZ-CB 4.25Å; A159-M197 HydrophobicContact CB-CE 4.17Å; V160-M197 HydrophobicContact CG2-CG 4.01Å; I190-M197 HydrophobicContact CD1-CE 3.66Å; I190-M197 HydrophobicContact CD1-SD 3.5Å; I190-M197 VanDerWaalsContact CD1-SD 3.5Å; I190-M197 HydrophobicContact CG1-SD 3.9Å; T194-M197 PolarHBondContact O-N 3.38Å; T194-M197 WeakPolarHBondContact OG1-CB 3.38Å; T194-M197 PolarHBondContact OG1-N 2.9Å; E195-M197 PolarHBondContact O-N 2.93Å; M197-L199 VanDerWaalsContact C-N 3.28Å; M197-L199 PolarHBondContact O-N 2.83Å; M197-A200 PolarHBondContact O-N 3.25Å; M197-I201 HydrophobicContact CG-CD1 3.72Å; M197-I201 HydrophobicContact CG-CG1 4.21Å; M197-I201 WeakPolarHBondContact O-CB 3.49Å; M197-I201 WeakPolarHBondContact O-CD1 3.27Å; M197-I201 WeakPolarHBondContact O-CG1 3.26Å; M197-I201 PolarHBondContact O-N 3.09Å; M197-I201 HydrophobicContact SD-CD1 4.38Å
198E95.3Very high94.8Very high0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-62.6-36176.9-71.3167-16400111.5V184 S185 Q193 T194 E195 Y202 R378 M380V184-E198 HydrophobicContact CB-CB 4.4Å; V184-E198 HydrophobicContact CG1-CB 4.12Å; V184-E198 HydrophobicContact CG1-CG 4.1Å; S185-E198 VanDerWaalsContact CB-OE2 3.27Å; S185-E198 WeakPolarHBondContact CB-OE2 3.44Å; S185-E198 PolarHBondContact OG-OE2 2.73Å; Q193-E198 HydrophobicContact CG-CG 3.95Å; Q193-E198 WeakPolarHBondContact CG-OE1 3.45Å; Q193-E198 PolarHBondContact NE2-OE1 2.94Å; T194-E198 WeakPolarHBondContact O-CG 3.49Å; T194-E198 PolarHBondContact O-N 3.3Å; E195-E198 PolarHBondContact O-N 3.15Å; E198-Y202 WeakPolarHBondContact O-CB 3.2Å; E198-Y202 PolarHBondContact O-N 3Å; E198-R378 IonicContact OE1-CZ 3.72Å; E198-R378 IonicContact OE1-NH1 2.74Å; E198-R378 PolarHBondContact OE1-NH1 2.9Å; E198-R378 IonicContact OE2-NH1 3.87Å; E198-R378 PolarHBondContact OE2-NH1 3.12Å; E198-M380 VanDerWaalsContact OE2-CE 3.26Å; E198-M380 WeakPolarHBondContact OE2-CE 3.42Å
199L95.7Very high94.9Very high73 Ų7356.2 Ų56.238%0.38228%0.279SS..Hα-helixtrans-66-43.9170.3177.159.6000113.1L181 E195 D196 M197 Y202 N203L181-L199 HydrophobicContact CD1-CD1 4.14Å; L181-L199 HydrophobicContact CD2-CB 4.21Å; L181-L199 HydrophobicContact CD2-CD1 3.77Å; E195-L199 PolarHBondContact O-N 2.96Å; D196-L199 PolarHBondContact O-N 3.39Å; M197-L199 VanDerWaalsContact C-N 3.28Å; M197-L199 PolarHBondContact O-N 2.83Å; L199-Y202 PolarHBondContact O-N 3.28Å; L199-N203 PolarHBondContact O-N 3.04Å; L199-N203 VanDerWaalsContact O-N 3.1Å; L199-N203 PolarHBondContact O-ND2 3.06Å
200A97.3Very high95Very high24 Ų2458.3 Ų58.320%0.19831%0.306CS..Hα-helixtrans-62.4-45.7176.200000111.7F156 V160 D196 M197 Y202 N203 T204F156-A200 HydrophobicContact CE1-CB 4.27Å; F156-A200 HydrophobicContact CZ-CB 4.22Å; V160-A200 HydrophobicContact CB-CB 4.49Å; V160-A200 HydrophobicContact CG1-CB 3.91Å; V160-A200 HydrophobicContact CG2-CB 3.68Å; D196-A200 PolarHBondContact O-N 3.48Å; M197-A200 PolarHBondContact O-N 3.25Å; A200-Y202 PolarHBondContact O-N 2.59Å; A200-N203 PolarHBondContact O-N 3.01Å; A200-N203 VanDerWaalsContact O-N 3.1Å; A200-T204 PolarHBondContact O-N 2.86Å; A200-T204 PolarHBondContact O-OG1 3.25Å
201I97.3Very high95.1Very high0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-58-46.7176.5-68.5165.8000111.2V160 A163 L167 V184 F189 M197 N203 T204 W205V160-I201 HydrophobicContact CB-CG1 4.38Å; V160-I201 HydrophobicContact CG1-CG1 4.34Å; V160-I201 HydrophobicContact CG2-CG1 4.24Å; A163-I201 HydrophobicContact CB-CB 4.5Å; A163-I201 HydrophobicContact CB-CD1 3.52Å; A163-I201 HydrophobicContact CB-CG1 3.7Å; A163-I201 HydrophobicContact CB-CG2 3.95Å; L167-I201 HydrophobicContact CD1-CG2 3.54Å; V184-I201 HydrophobicContact CG1-CB 4.02Å; V184-I201 HydrophobicContact CG1-CD1 4.38Å; V184-I201 HydrophobicContact CG1-CG2 3.68Å; F189-I201 HydrophobicContact CD2-CD1 3.85Å; F189-I201 HydrophobicContact CE2-CD1 4.18Å; F189-I201 HydrophobicContact CE2-CG2 4.46Å; M197-I201 HydrophobicContact CG-CD1 3.72Å; M197-I201 HydrophobicContact CG-CG1 4.21Å; M197-I201 WeakPolarHBondContact O-CB 3.49Å; M197-I201 WeakPolarHBondContact O-CD1 3.27Å; M197-I201 WeakPolarHBondContact O-CG1 3.26Å; M197-I201 PolarHBondContact O-N 3.09Å; M197-I201 HydrophobicContact SD-CD1 4.38Å; I201-N203 VanDerWaalsContact C-N 3.27Å; I201-N203 PolarHBondContact O-N 3.48Å; I201-T204 PolarHBondContact O-N 3.47Å; I201-W205 WeakPolarHBondContact O-CB 3.44Å; I201-W205 PolarHBondContact O-N 2.96Å
202Y96.7Very high95.3Very high26 Ų2658.8 Ų58.810%0.10231%0.306CS..Hα-helixtrans-61.1-36.1176.8178.5-112.1000112.5C174 P176 H179 L181 E198 L199 A200 W205 K206C174-Y202 WeakPolarHBondContact SG-CE2 3.38Å; P176-Y202 WeakPolarHBondContact CA-OH 3.41Å; P176-Y202 WeakPolarHBondContact CB-OH 3.3Å; H179-Y202 WeakPolarHBondContact O-CE2 3.04Å; H179-Y202 PolarHBondContact O-OH 2.85Å; L181-Y202 HydrophobicContact CD2-CD1 3.69Å; L181-Y202 HydrophobicContact CD2-CG 3.76Å; L181-Y202 HydrophobicContact CG-CD1 4.1Å; L181-Y202 HydrophobicContact CG-CG 4.36Å; E198-Y202 WeakPolarHBondContact O-CB 3.2Å; E198-Y202 PolarHBondContact O-N 3Å; L199-Y202 PolarHBondContact O-N 3.28Å; A200-Y202 PolarHBondContact O-N 2.59Å; Y202-W205 HydrophobicContact CD2-CE3 4.36Å; Y202-K206 HydrophobicContact CE1-CD 4.26Å; Y202-K206 WeakPolarHBondContact O-CE 3.48Å; Y202-K206 PolarHBondContact O-N 2.94Å
203N96.5Very high95.7Very high67 Ų6753 Ų5336%0.35828%0.282SS..Hα-helixtrans-67.7-51.9176.4-72.8-40.6000112L199 A200 I201 W205 K206L199-N203 PolarHBondContact O-N 3.04Å; L199-N203 VanDerWaalsContact O-N 3.1Å; L199-N203 PolarHBondContact O-ND2 3.06Å; A200-N203 PolarHBondContact O-N 3.01Å; A200-N203 VanDerWaalsContact O-N 3.1Å; I201-N203 VanDerWaalsContact C-N 3.27Å; I201-N203 PolarHBondContact O-N 3.48Å; N203-W205 VanDerWaalsContact C-N 3.3Å; N203-W205 PolarHBondContact O-N 2.99Å; N203-K206 PolarHBondContact O-N 3.35Å; N203-K206 PolarHBondContact OD1-NZ 3.27Å
204T97.6Very high95.8Very high30 Ų3053.5 Ų53.518%0.18429%0.288CS..Hα-helixtrans-66.7-28178.8-55.40000113.1E161 A164 A200 I201 K206 E207 C208E161-T204 HydrophobicContact CG-CG2 4.37Å; A164-T204 HydrophobicContact CB-CG2 3.72Å; A200-T204 PolarHBondContact O-N 2.86Å; A200-T204 PolarHBondContact O-OG1 3.25Å; I201-T204 PolarHBondContact O-N 3.47Å; T204-K206 PolarHBondContact O-N 2.87Å; T204-E207 WeakPolarHBondContact O-CB 3.48Å; T204-E207 PolarHBondContact O-N 3.24Å; T204-E207 VanDerWaalsContact O-N 3.1Å; T204-C208 PolarHBondContact O-N 3.21Å; T204-C208 PolarHBondContact O-SG 2.68Å
205W97.5Very high95.9Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-64.3-37.2174.1179.424.6000112.3A164 L167 L171 G172 C174 H179 L183 I201 Y202 N203 E207 C208A164-W205 HydrophobicContact CB-CB 4.24Å; L167-W205 HydrophobicContact CB-CD2 3.73Å; L167-W205 HydrophobicContact CB-CE3 4.17Å; L167-W205 HydrophobicContact CB-CG 3.94Å; L167-W205 HydrophobicContact CB-CZ2 4.45Å; L167-W205 HydrophobicContact CD1-CB 4.48Å; L167-W205 HydrophobicContact CD1-CD2 3.99Å; L167-W205 HydrophobicContact CD1-CE3 3.69Å; L167-W205 HydrophobicContact CD1-CG 4.34Å; L167-W205 HydrophobicContact CD1-CZ3 4.29Å; L167-W205 HydrophobicContact CG-CD2 4.48Å; L167-W205 HydrophobicContact CG-CE3 4.47Å; L171-W205 HydrophobicContact CB-CH2 4.06Å; L171-W205 HydrophobicContact CB-CZ2 3.68Å; L171-W205 HydrophobicContact CD1-CH2 3.53Å; L171-W205 HydrophobicContact CD1-CZ2 3.97Å; L171-W205 HydrophobicContact CD1-CZ3 4.26Å; L171-W205 HydrophobicContact CG-CH2 4.45Å; L171-W205 HydrophobicContact CG-CZ2 4.44Å; G172-W205 PolarHBondContact O-NE1 2.86Å; C174-W205 HydrophobicContact CB-CD2 3.59Å; C174-W205 HydrophobicContact CB-CE3 4.03Å; C174-W205 HydrophobicContact CB-CG 3.85Å; C174-W205 HydrophobicContact CB-CH2 4.45Å; C174-W205 HydrophobicContact CB-CZ2 4.03Å; C174-W205 HydrophobicContact CB-CZ3 4.45Å; H179-W205 HydrophobicContact CB-CH2 3.78Å; H179-W205 HydrophobicContact CB-CZ3 3.81Å; H179-W205 AromaticContact CD2-CH2 3.76Å; H179-W205 AromaticContact CE1-CH2 3.79Å; H179-W205 AromaticContact CE1-CZ2 3.95Å; H179-W205 AromaticContact CG-CH2 3.38Å; H179-W205 AromaticContact CG-CZ3 3.97Å; H179-W205 AromaticContact ND1-CH2 3.43Å; H179-W205 WeakPolarHBondContact ND1-CH2 3.26Å; H179-W205 AromaticContact ND1-CZ2 3.81Å; H179-W205 AromaticContact NE2-CH2 3.96Å; L183-W205 HydrophobicContact CD2-CH2 4.42Å; I201-W205 WeakPolarHBondContact O-CB 3.44Å; I201-W205 PolarHBondContact O-N 2.96Å; Y202-W205 HydrophobicContact CD2-CE3 4.36Å; N203-W205 VanDerWaalsContact C-N 3.3Å; N203-W205 PolarHBondContact O-N 2.99Å; W205-E207 PolarHBondContact O-N 3.46Å; W205-C208 WeakPolarHBondContact O-CB 3.33Å; W205-C208 PolarHBondContact O-N 2.89Å
206K95.9Very high96.2Very high76 Ų7651.7 Ų51.733%0.3328%0.277SS..Hα-helixtrans-62.9-27.1172.3-68.7170.3-72.3172.70113.1C174 P176 Y202 N203 T204 C208C174-K206 HydrophobicContact CB-CG 3.84Å; C174-K206 VanDerWaalsContact SG-CG 3.57Å; P176-K206 HydrophobicContact CG-CD 4.47Å; Y202-K206 HydrophobicContact CE1-CD 4.26Å; Y202-K206 WeakPolarHBondContact O-CE 3.48Å; Y202-K206 PolarHBondContact O-N 2.94Å; N203-K206 PolarHBondContact O-N 3.35Å; N203-K206 PolarHBondContact OD1-NZ 3.27Å; T204-K206 PolarHBondContact O-N 2.87Å; K206-C208 VanDerWaalsContact C-N 3.35Å
207E96.1Very high96.3Very high149 Ų14946.5 Ų46.570%0.69625%0.249SC*.Hα-helixtrans-80.1-18.3176.3-58.7170.9161.700112.2T204 W205 R209T204-E207 WeakPolarHBondContact O-CB 3.48Å; T204-E207 PolarHBondContact O-N 3.24Å; T204-E207 VanDerWaalsContact O-N 3.1Å; W205-E207 PolarHBondContact O-N 3.46Å; E207-R209 PolarHBondContact O-N 2.55Å
208C96.1Very high96.3Very high4 Ų448.2 Ų48.23%0.02726%0.258CS..THydrogen-bonded Turntrans-79-0.2176.6-63.60000114.2Q168 T204 W205 K206 Q211Q168-C208 HydrophobicContact CB-CB 3.91Å; Q168-C208 VanDerWaalsContact CD-O 3.26Å; Q168-C208 HydrophobicContact CG-CB 3.86Å; Q168-C208 PolarHBondContact NE2-O 2.9Å; Q168-C208 PolarHBondContact OE1-O 2.8Å; T204-C208 PolarHBondContact O-N 3.21Å; T204-C208 PolarHBondContact O-SG 2.68Å; W205-C208 WeakPolarHBondContact O-CB 3.33Å; W205-C208 PolarHBondContact O-N 2.89Å; K206-C208 VanDerWaalsContact C-N 3.35Å; C208-Q211 WeakPolarHBondContact O-CB 3.38Å; C208-Q211 VanDerWaalsContact O-CG 3.24Å; C208-Q211 WeakPolarHBondContact O-CG 3.2Å; C208-Q211 PolarHBondContact O-N 3.47Å
209R95.6Very high96.4Very high192 Ų19250.6 Ų50.673%0.72527%0.27SS*.THydrogen-bonded Turntrans-51.7137.2-174.3-165.5-172.5177.9-171.52.8113.3D173 E207 Q211D173-R209 HydrophobicContact CB-CG 4.13Å; D173-R209 VanDerWaalsContact CG-CG 3.4Å; D173-R209 WeakPolarHBondContact OD2-CG 3.49Å; D173-R209 IonicContact OD2-NE 3.78Å; D173-R209 PolarHBondContact OD2-NE 3.42Å; E207-R209 PolarHBondContact O-N 2.55Å; R209-Q211 VanDerWaalsContact C-N 3.28Å; R209-Q211 PolarHBondContact O-N 3.13Å
210G95.8Very high96.5Very high62 Ų6247.2 Ų47.264%0.63925%0.253SS*.THydrogen-bonded Turntrans82.8-3.9179.800000114.4D173D173-G210 PolarHBondContact OD1-N 3.43Å; D173-G210 PolarHBondContact OD2-N 2.85Å
211Q97.3Very high96.5Very high40 Ų4046 Ų4619%0.18724%0.243CC..  trans-78.2128.4172-63.4176.743.300110.4Q168 C208 R209 L215 N219Q168-Q211 HydrophobicContact CG-CB 4.03Å; Q168-Q211 PolarHBondContact NE2-O 3.24Å; C208-Q211 WeakPolarHBondContact O-CB 3.38Å; C208-Q211 VanDerWaalsContact O-CG 3.24Å; C208-Q211 WeakPolarHBondContact O-CG 3.2Å; C208-Q211 PolarHBondContact O-N 3.47Å; R209-Q211 VanDerWaalsContact C-N 3.28Å; R209-Q211 PolarHBondContact O-N 3.13Å; Q211-L215 HydrophobicContact CB-CD2 4.22Å; Q211-L215 HydrophobicContact CB-CG 4.36Å; Q211-L215 HydrophobicContact CG-CD2 4.03Å; Q211-L215 HydrophobicContact CG-CG 4.33Å; Q211-N219 PolarHBondContact OE1-ND2 3.24Å
212T96.2Very high96.5Very high85 Ų8548 Ų4852%0.52125%0.254SS..  trans-70.3158169.462.90000110.5A214 L215 A216T212-A214 VanDerWaalsContact C-N 3.27Å; T212-A214 PolarHBondContact O-N 3.38Å; T212-L215 WeakPolarHBondContact O-CA 3.26Å; T212-L215 WeakPolarHBondContact O-CB 3.26Å; T212-L215 PolarHBondContact O-N 2.86Å; T212-L215 PolarHBondContact OG1-N 3.44Å; T212-A216 PolarHBondContact O-N 3.26Å
213P96.1Very high96.5Very high45 Ų4550 Ų5029%0.29226%0.263SS..Hα-helixtrans-52.9-42.1177.4-31.638000114.2A169 L215 A216 E217A169-P213 HydrophobicContact CB-CB 4.25Å; A169-P213 WeakPolarHBondContact O-CB 3.4Å; P213-L215 VanDerWaalsContact C-N 3.28Å; P213-L215 PolarHBondContact O-N 3.37Å; P213-A216 PolarHBondContact O-N 2.86Å; P213-E217 WeakPolarHBondContact O-CB 3.36Å; P213-E217 WeakPolarHBondContact O-CG 3.1Å; P213-E217 PolarHBondContact O-N 2.98Å
214A94.2Very high96.5Very high16 Ų1646.8 Ų46.813%0.13225%0.246CC..Hα-helixtrans-61.9-32.3176.100000113.6E133 T212 I218E133-A214 VanDerWaalsContact CD-CB 3.49Å; E133-A214 HydrophobicContact CG-CB 3.87Å; T212-A214 VanDerWaalsContact C-N 3.27Å; T212-A214 PolarHBondContact O-N 3.38Å; A214-I218 WeakPolarHBondContact O-CD1 3.36Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.39Å; A214-I218 PolarHBondContact O-N 2.96Å
215L95.7Very high96.4Very high74 Ų7447.7 Ų47.739%0.38725%0.247SC..Hα-helixtrans-78.9-43.5176.6179.457.2000111.4Q211 T212 P213 E217 I218 N219Q211-L215 HydrophobicContact CB-CD2 4.22Å; Q211-L215 HydrophobicContact CB-CG 4.36Å; Q211-L215 HydrophobicContact CG-CD2 4.03Å; Q211-L215 HydrophobicContact CG-CG 4.33Å; T212-L215 WeakPolarHBondContact O-CA 3.26Å; T212-L215 WeakPolarHBondContact O-CB 3.26Å; T212-L215 PolarHBondContact O-N 2.86Å; T212-L215 PolarHBondContact OG1-N 3.44Å; P213-L215 VanDerWaalsContact C-N 3.28Å; P213-L215 PolarHBondContact O-N 3.37Å; L215-E217 VanDerWaalsContact C-N 3.28Å; L215-E217 PolarHBondContact O-N 3.06Å; L215-I218 PolarHBondContact O-N 3.47Å; L215-I218 VanDerWaalsContact O-N 3.15Å; L215-N219 WeakPolarHBondContact O-CB 3.34Å; L215-N219 VanDerWaalsContact O-CG 3.29Å; L215-N219 PolarHBondContact O-N 2.96Å; L215-N219 PolarHBondContact O-ND2 3.14Å
216A97.3Very high96.2Very high0 Ų057.3 Ų57.30%028%0.284CS..Hα-helixtrans-59.4-39.2174.200000111.5F165 Q168 A169 T212 P213 N219 Y220F165-A216 HydrophobicContact CB-CB 4.5Å; Q168-A216 HydrophobicContact CB-CB 4.2Å; Q168-A216 HydrophobicContact CG-CB 4.13Å; A169-A216 HydrophobicContact CB-CB 4.07Å; T212-A216 PolarHBondContact O-N 3.26Å; P213-A216 PolarHBondContact O-N 2.86Å; A216-N219 PolarHBondContact O-N 3.18Å; A216-Y220 WeakPolarHBondContact O-CB 3.25Å; A216-Y220 PolarHBondContact O-N 2.7Å
217E96.5Very high96.1Very high4 Ų454.4 Ų54.42%0.01927%0.272CS..Hα-helixtrans-64.4-42.1172.5-73.4160.5-173.200113Y137 V140 A169 P213 L215 N219 Y220 L221 R369Y137-E217 VanDerWaalsContact CD2-OE1 3.31Å; Y137-E217 WeakPolarHBondContact CD2-OE1 3.34Å; V140-E217 HydrophobicContact CG2-CB 4.02Å; V140-E217 HydrophobicContact CG2-CG 4.09Å; A169-E217 HydrophobicContact CB-CG 4.32Å; P213-E217 WeakPolarHBondContact O-CB 3.36Å; P213-E217 WeakPolarHBondContact O-CG 3.1Å; P213-E217 PolarHBondContact O-N 2.98Å; L215-E217 VanDerWaalsContact C-N 3.28Å; L215-E217 PolarHBondContact O-N 3.06Å; E217-N219 VanDerWaalsContact C-N 3.31Å; E217-N219 PolarHBondContact O-N 3.1Å; E217-Y220 PolarHBondContact O-N 3.4Å; E217-L221 VanDerWaalsContact O-CG 3.27Å; E217-L221 WeakPolarHBondContact O-CG 3.26Å; E217-L221 PolarHBondContact O-N 2.61Å; E217-R369 VanDerWaalsContact CD-NH2 3.3Å; E217-R369 IonicContact OE1-CZ 3.15Å; E217-R369 IonicContact OE1-NE 3.39Å; E217-R369 PolarHBondContact OE1-NE 2.89Å; E217-R369 IonicContact OE1-NH2 2.74Å; E217-R369 PolarHBondContact OE1-NH2 3.45Å; E217-R369 IonicContact OE2-CZ 2.68Å; E217-R369 IonicContact OE2-NE 3.67Å; E217-R369 IonicContact OE2-NH2 2.79Å; E217-R369 PolarHBondContact OE2-NH2 3Å
218I96Very high95.9Very high46 Ų4651.8 Ų51.824%0.23626%0.259CS..Hα-helixtrans-63.3-39.1174.6-74.6166.1000111.1A214 L215 N222A214-I218 WeakPolarHBondContact O-CD1 3.36Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.39Å; A214-I218 PolarHBondContact O-N 2.96Å; L215-I218 PolarHBondContact O-N 3.47Å; L215-I218 VanDerWaalsContact O-N 3.15Å; I218-N222 WeakPolarHBondContact O-CB 3.36Å; I218-N222 PolarHBondContact O-N 3.01Å; I218-N222 PolarHBondContact O-ND2 3.3Å
219N97.3Very high95.7Very high49 Ų4953.6 Ų53.626%0.26227%0.268SS..Hα-helixtrans-69-44.9177.6-69.6-20.8000111.3F165 Q211 L215 A216 E217 L221 N222 K223F165-N219 HydrophobicContact CD1-CB 3.99Å; F165-N219 HydrophobicContact CD2-CB 4.38Å; F165-N219 HydrophobicContact CE1-CB 3.69Å; F165-N219 HydrophobicContact CE2-CB 4.11Å; F165-N219 HydrophobicContact CG-CB 4.35Å; F165-N219 HydrophobicContact CZ-CB 3.76Å; Q211-N219 PolarHBondContact OE1-ND2 3.24Å; L215-N219 WeakPolarHBondContact O-CB 3.34Å; L215-N219 VanDerWaalsContact O-CG 3.29Å; L215-N219 PolarHBondContact O-N 2.96Å; L215-N219 PolarHBondContact O-ND2 3.14Å; A216-N219 PolarHBondContact O-N 3.18Å; E217-N219 VanDerWaalsContact C-N 3.31Å; E217-N219 PolarHBondContact O-N 3.1Å; N219-L221 PolarHBondContact O-N 3.35Å; N219-N222 PolarHBondContact O-N 2.83Å; N219-K223 PolarHBondContact O-N 3.44Å
220Y98.1Very high95.7Very high2 Ų245.1 Ų45.11%0.00824%0.236CC..Hα-helixtrans-51.8-52.7171.1-177.1-70.9000111.2V140 L143 K144 L147 L162 F165 S166 A216 E217 N222 K223 A224V140-Y220 HydrophobicContact CB-CD1 4.3Å; V140-Y220 HydrophobicContact CB-CE1 4.46Å; V140-Y220 HydrophobicContact CG1-CD1 4Å; V140-Y220 HydrophobicContact CG1-CD2 4.18Å; V140-Y220 HydrophobicContact CG1-CE1 4.06Å; V140-Y220 HydrophobicContact CG1-CE2 4.23Å; V140-Y220 HydrophobicContact CG1-CG 4.08Å; V140-Y220 HydrophobicContact CG2-CD1 3.74Å; V140-Y220 HydrophobicContact CG2-CE1 4.34Å; V140-Y220 HydrophobicContact CG2-CG 4.14Å; L143-Y220 HydrophobicContact CB-CE1 3.7Å; L143-Y220 HydrophobicContact CD1-CD1 4.49Å; L143-Y220 HydrophobicContact CD1-CE1 3.96Å; L143-Y220 HydrophobicContact CG-CE1 4.5Å; K144-Y220 HydrophobicContact CG-CE2 4.26Å; K144-Y220 PolarHBondContact N-OH 2.86Å; L147-Y220 WeakPolarHBondContact CD1-OH 3.17Å; L162-Y220 HydrophobicContact CB-CD2 4.02Å; L162-Y220 HydrophobicContact CB-CE2 3.7Å; L162-Y220 HydrophobicContact CD2-CD1 3.88Å; L162-Y220 HydrophobicContact CD2-CD2 3.62Å; L162-Y220 HydrophobicContact CD2-CE1 4.06Å; L162-Y220 HydrophobicContact CD2-CE2 3.83Å; L162-Y220 HydrophobicContact CD2-CG 3.64Å; L162-Y220 VanDerWaalsContact CD2-O 3.28Å; L162-Y220 WeakPolarHBondContact CD2-O 3.29Å; L162-Y220 HydrophobicContact CG-CD2 4.43Å; L162-Y220 HydrophobicContact CG-CE2 4.3Å; L162-Y220 VanDerWaalsContact O-CD2 3.24Å; L162-Y220 WeakPolarHBondContact O-CD2 3.28Å; L162-Y220 VanDerWaalsContact O-CE2 3.26Å; L162-Y220 WeakPolarHBondContact O-CE2 3.24Å; F165-Y220 HydrophobicContact CB-CD2 4.29Å; S166-Y220 WeakPolarHBondContact OG-CE2 3.17Å; A216-Y220 WeakPolarHBondContact O-CB 3.25Å; A216-Y220 PolarHBondContact O-N 2.7Å; E217-Y220 PolarHBondContact O-N 3.4Å; Y220-N222 PolarHBondContact O-N 3.05Å; Y220-K223 PolarHBondContact O-N 3.43Å; Y220-A224 HydrophobicContact CD1-CB 4.33Å; Y220-A224 HydrophobicContact CE1-CB 4.18Å; Y220-A224 VanDerWaalsContact O-CB 3.29Å; Y220-A224 WeakPolarHBondContact O-CB 3.45Å; Y220-A224 PolarHBondContact O-N 3.44Å
221L97.4Very high95.6Very high0 Ų042.5 Ų42.50%021%0.209CC..Hα-helixtrans-64.8-38-179.5-66.9173.2000112.3P127 L130 R136 F139 V140 L143 E217 N219 K223 K225P127-L221 HydrophobicContact CB-CB 3.71Å; P127-L221 HydrophobicContact CB-CD1 4.33Å; P127-L221 HydrophobicContact CG-CB 3.71Å; L130-L221 HydrophobicContact CD1-CD1 4.32Å; R136-L221 HydrophobicContact CB-CD1 3.81Å; R136-L221 HydrophobicContact CG-CD1 4.03Å; F139-L221 HydrophobicContact CB-CD1 4.45Å; F139-L221 HydrophobicContact CB-CD2 3.86Å; V140-L221 HydrophobicContact CG2-CD1 4.29Å; V140-L221 HydrophobicContact CG2-CD2 3.85Å; V140-L221 HydrophobicContact CG2-CG 3.78Å; L143-L221 HydrophobicContact CD1-CD2 3.48Å; L143-L221 VanDerWaalsContact CD1-CD2 3.48Å; E217-L221 VanDerWaalsContact O-CG 3.27Å; E217-L221 WeakPolarHBondContact O-CG 3.26Å; E217-L221 PolarHBondContact O-N 2.61Å; N219-L221 PolarHBondContact O-N 3.35Å; L221-K223 VanDerWaalsContact C-N 3.29Å; L221-K223 PolarHBondContact O-N 3.42Å; L221-K225 WeakPolarHBondContact O-CB 3.49Å; L221-K225 PolarHBondContact O-N 3.14Å; L221-K225 VanDerWaalsContact O-N 3.14Å
222N96.8Very high95.4Very high41 Ų4141 Ų4122%0.21920%0.202CC..Hα-helixtrans-70.6-22.2178-86-63.5000114.1I218 N219 Y220 K225 W226I218-N222 WeakPolarHBondContact O-CB 3.36Å; I218-N222 PolarHBondContact O-N 3.01Å; I218-N222 PolarHBondContact O-ND2 3.3Å; N219-N222 PolarHBondContact O-N 2.83Å; Y220-N222 PolarHBondContact O-N 3.05Å; N222-K225 WeakPolarHBondContact O-CE 3.43Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å; N222-W226 PolarHBondContact O-NE1 3.04Å
223K96.6Very high95.3Very high67 Ų6739.4 Ų39.429%0.29119%0.19SC..Hα-helixtrans-84.8-48.9169.6-164.377.6175.1-145.50111.5T158 E161 L162 N219 Y220 L221 K225 W226T158-K223 HydrophobicContact CG2-CG 3.8Å; E161-K223 WeakPolarHBondContact OE1-CE 3.49Å; E161-K223 IonicContact OE1-NZ 3.82Å; E161-K223 PolarHBondContact OE1-NZ 2.97Å; E161-K223 VanDerWaalsContact OE2-CD 3.29Å; E161-K223 WeakPolarHBondContact OE2-CD 3.09Å; E161-K223 WeakPolarHBondContact OE2-CE 3.18Å; E161-K223 IonicContact OE2-NZ 3.79Å; E161-K223 PolarHBondContact OE2-NZ 3.03Å; L162-K223 HydrophobicContact CD2-CB 4.08Å; N219-K223 PolarHBondContact O-N 3.44Å; Y220-K223 PolarHBondContact O-N 3.43Å; L221-K223 VanDerWaalsContact C-N 3.29Å; L221-K223 PolarHBondContact O-N 3.42Å; K223-K225 VanDerWaalsContact C-N 3.3Å; K223-K225 PolarHBondContact O-N 3.32Å; K223-W226 PolarHBondContact O-N 2.59Å
224A96.7Very high95.1Very high0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-61.6-30.8-175.300000114.2L143 L162 Y220 W226 L227 Y230L143-A224 HydrophobicContact CD1-CB 4.17Å; L162-A224 HydrophobicContact CD1-CB 4.28Å; L162-A224 HydrophobicContact CD2-CB 4Å; Y220-A224 HydrophobicContact CD1-CB 4.33Å; Y220-A224 HydrophobicContact CE1-CB 4.18Å; Y220-A224 VanDerWaalsContact O-CB 3.29Å; Y220-A224 WeakPolarHBondContact O-CB 3.45Å; Y220-A224 PolarHBondContact O-N 3.44Å; A224-W226 PolarHBondContact O-N 2.94Å; A224-W226 VanDerWaalsContact O-N 3.12Å; A224-L227 WeakPolarHBondContact O-CB 3.38Å; A224-L227 PolarHBondContact O-N 3.26Å; A224-L227 VanDerWaalsContact O-N 3.11Å; A224-Y230 VanDerWaalsContact O-CD2 3.3Å; A224-Y230 WeakPolarHBondContact O-CD2 3.29Å
225K94.4Very high95.1Very high50 Ų5040.5 Ų40.522%0.21719%0.19CC..THydrogen-bonded Turntrans-60.7-18.5178.774.2-174.1-176.1-174.20115P127 L221 N222 K223 Y230P127-K225 HydrophobicContact CG-CD 3.96Å; L221-K225 WeakPolarHBondContact O-CB 3.49Å; L221-K225 PolarHBondContact O-N 3.14Å; L221-K225 VanDerWaalsContact O-N 3.14Å; N222-K225 WeakPolarHBondContact O-CE 3.43Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å; K223-K225 VanDerWaalsContact C-N 3.3Å; K223-K225 PolarHBondContact O-N 3.32Å; K225-Y230 HydrophobicContact CB-CD1 4.47Å; K225-Y230 HydrophobicContact CB-CE1 4.3Å; K225-Y230 HydrophobicContact CB-CE2 4.39Å
226W94.3Very high95Very high202 Ų20242.3 Ų42.377%0.76520%0.197SC*.THydrogen-bonded Turntrans-90.7-6.9179.5-60115.8000113.6N222 K223 A224N222-W226 PolarHBondContact O-NE1 3.04Å; K223-W226 PolarHBondContact O-N 2.59Å; A224-W226 PolarHBondContact O-N 2.94Å; A224-W226 VanDerWaalsContact O-N 3.12Å
227L94.1Very high94.9Very high15 Ų1542.5 Ų42.58%0.07920%0.199CC..SBendtrans-68.6136.2174.5-64.9176.3000110.1L147 L152 C154 T158 L162 A224 M229 Y230L147-L227 HydrophobicContact CD2-CD1 4.45Å; L152-L227 HydrophobicContact CD1-CB 3.77Å; L152-L227 HydrophobicContact CD1-CD1 4.02Å; L152-L227 HydrophobicContact CD2-CD1 3.99Å; L152-L227 HydrophobicContact CG-CD1 3.9Å; C154-L227 HydrophobicContact CB-CD1 4.19Å; C154-L227 HydrophobicContact CB-CD2 4.36Å; T158-L227 HydrophobicContact CG2-CD2 3.93Å; T158-L227 HydrophobicContact CG2-CG 4.47Å; L162-L227 HydrophobicContact CD1-CD1 4.1Å; A224-L227 WeakPolarHBondContact O-CB 3.38Å; A224-L227 PolarHBondContact O-N 3.26Å; A224-L227 VanDerWaalsContact O-N 3.11Å; L227-M229 PolarHBondContact O-N 2.88Å; L227-M229 VanDerWaalsContact O-N 3.15Å; L227-Y230 WeakPolarHBondContact O-CB 3.11Å; L227-Y230 PolarHBondContact O-N 3.22Å
228E91Very high94.7Very high93 Ų9344.9 Ų44.944%0.43521%0.209SC..THydrogen-bonded Turntrans-59.6-33.5-170.6-178.9149134.500113.9F257 K262E228-F257 HydrophobicContact CG-CZ 4.26Å; E228-F257 WeakPolarHBondContact OE1-CE1 3.18Å; E228-K262 VanDerWaalsContact CD-NZ 3.27Å; E228-K262 HydrophobicContact CG-CD 4.17Å; E228-K262 WeakPolarHBondContact OE1-CD 3.36Å; E228-K262 IonicContact OE1-NZ 2.79Å; E228-K262 WeakPolarHBondContact OE2-CD 3.5Å; E228-K262 IonicContact OE2-NZ 2.75Å; E228-K262 PolarHBondContact OE2-NZ 3.16Å
229M93.6Very high94.5Very high42 Ų4243.3 Ų43.321%0.20720%0.203CC..THydrogen-bonded Turntrans-93.912.1179.7-61.7-60.6-75.800113.4L152 L227 G231 V232 M234 F257L152-M229 HydrophobicContact CD1-CB 3.91Å; L227-M229 PolarHBondContact O-N 2.88Å; L227-M229 VanDerWaalsContact O-N 3.15Å; M229-G231 PolarHBondContact O-N 3.08Å; M229-G231 VanDerWaalsContact O-N 3.16Å; M229-V232 HydrophobicContact CE-CB 4.34Å; M229-V232 HydrophobicContact CE-CG1 4.2Å; M229-V232 PolarHBondContact O-N 3.13Å; M229-V232 HydrophobicContact SD-CG2 4.47Å; M229-M234 HydrophobicContact CE-CE 3.95Å; M229-M234 HydrophobicContact SD-CE 4.45Å; M229-F257 HydrophobicContact SD-CE2 4.25Å; M229-F257 HydrophobicContact SD-CZ 4.02Å
230Y95.2Very high93.9Very high15 Ų1551.2 Ų51.26%0.05923%0.229CC..THydrogen-bonded Turntrans-58.4117179.2178.1-96.5000111.9Y123 S124 L143 A224 K225 L227 V232 P251Y123-Y230 HydrophobicContact CD1-CE1 4.46Å; Y123-Y230 HydrophobicContact CD1-CE2 4.26Å; S124-Y230 PolarHBondContact O-OH 3.06Å; L143-Y230 HydrophobicContact CD1-CE2 3.93Å; L143-Y230 HydrophobicContact CD2-CD2 3.85Å; L143-Y230 HydrophobicContact CD2-CE2 3.76Å; L143-Y230 HydrophobicContact CG-CE2 4.49Å; A224-Y230 VanDerWaalsContact O-CD2 3.3Å; A224-Y230 WeakPolarHBondContact O-CD2 3.29Å; K225-Y230 HydrophobicContact CB-CD1 4.47Å; K225-Y230 HydrophobicContact CB-CE1 4.3Å; K225-Y230 HydrophobicContact CB-CE2 4.39Å; L227-Y230 WeakPolarHBondContact O-CB 3.11Å; L227-Y230 PolarHBondContact O-N 3.22Å; Y230-V232 PolarHBondContact O-N 3.09Å; Y230-V232 VanDerWaalsContact O-N 3.14Å; Y230-P251 HydrophobicContact CE1-CG 4.35Å
231G93.2Very high93.2Very high6 Ų655.9 Ų55.96%0.06225%0.254CS..THydrogen-bonded Turntrans64.711.8178.900000115.6Y123 M229 D233Y123-G231 VanDerWaalsContact CG-CA 3.44Å; M229-G231 PolarHBondContact O-N 3.08Å; M229-G231 VanDerWaalsContact O-N 3.16Å; G231-D233 PolarHBondContact O-N 3.36Å
232V93.8Very high92.6Very high9 Ų958.3 Ų58.36%0.05528%0.279CS..  trans-74.9124-173.3-178.70000111.8M229 Y230 M234 L249 T250 L255M229-V232 HydrophobicContact CE-CB 4.34Å; M229-V232 HydrophobicContact CE-CG1 4.2Å; M229-V232 PolarHBondContact O-N 3.13Å; M229-V232 HydrophobicContact SD-CG2 4.47Å; Y230-V232 PolarHBondContact O-N 3.09Å; Y230-V232 VanDerWaalsContact O-N 3.14Å; V232-M234 HydrophobicContact CG1-CB 4.46Å; V232-M234 HydrophobicContact CG1-CE 3.8Å; V232-L249 WeakPolarHBondContact CA-O 3.48Å; V232-T250 HydrophobicContact CG2-CG2 3.97Å; V232-L255 HydrophobicContact CG2-CD2 4.27Å
233D92.8Very high92.4Very high51 Ų5160.1 Ų60.127%0.27329%0.289SS..EExtended strand (participates in β ladder)trans-100.7105168-177.841.4000108.9G231 H235 G248 L249G231-D233 PolarHBondContact O-N 3.36Å; D233-H235 VanDerWaalsContact CG-NE2 3.27Å; D233-H235 PolarHBondContact O-CD2 2.81Å; D233-H235 IonicContact OD1-NE2 2.63Å; D233-H235 IonicContact OD2-CD2 3.21Å; D233-H235 IonicContact OD2-CE1 2.68Å; D233-H235 IonicContact OD2-NE2 3.24Å; D233-H235 PolarHBondContact OD2-NE2 2.8Å; D233-G248 WeakPolarHBondContact O-CA 3.28Å; D233-L249 HydrophobicContact CB-CB 4.29Å; D233-L249 PolarHBondContact N-O 3.42Å; D233-L249 PolarHBondContact O-N 3.03Å
234M93.1Very high92.2Very high64 Ų6462.2 Ų62.232%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-97.9128.7-165.8-171.459.277.300113.2M229 V232 S246 G248 F257M229-M234 HydrophobicContact CE-CE 3.95Å; M229-M234 HydrophobicContact SD-CE 4.45Å; V232-M234 HydrophobicContact CG1-CB 4.46Å; V232-M234 HydrophobicContact CG1-CE 3.8Å; M234-S246 VanDerWaalsContact SD-C 3.59Å; M234-S246 WeakPolarHBondContact SD-CB 3.34Å; M234-G248 PolarHBondContact SD-N 2.85Å; M234-G248 VanDerWaalsContact SD-N 3.45Å; M234-F257 HydrophobicContact CE-CD2 3.55Å; M234-F257 HydrophobicContact CE-CE2 3.53Å
235H92.9Very high92.2Very high21 Ų2163 Ų6310%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-128.9121.2-178.6-63.1-102.5000111.9D233 L247 M303 H311 L312D233-H235 VanDerWaalsContact CG-NE2 3.27Å; D233-H235 PolarHBondContact O-CD2 2.81Å; D233-H235 IonicContact OD1-NE2 2.63Å; D233-H235 IonicContact OD2-CD2 3.21Å; D233-H235 IonicContact OD2-CE1 2.68Å; D233-H235 IonicContact OD2-NE2 3.24Å; D233-H235 PolarHBondContact OD2-NE2 2.8Å; H235-L247 PolarHBondContact N-O 3.18Å; H235-L247 PolarHBondContact O-N 3.11Å; H235-M303 HydrophobicContact CB-CE 4.14Å; H235-H311 AromaticContact CE1-CD2 3.7Å; H235-H311 AromaticContact CE1-NE2 3.89Å; H235-L312 HydrophobicContact CB-CD1 3.98Å; H235-L312 HydrophobicContact CB-CD2 3.9Å; H235-L312 HydrophobicContact CB-CG 4.35Å
236M93.6Very high92.2Very high111 Ų11161.1 Ų61.155%0.54730%0.296SS..EExtended strand (participates in β ladder)trans-71.4132.7175.7-57.8-53.2-64.700111.8S246 M303M236-S246 WeakPolarHBondContact CE-OG 3.47Å; M236-S246 PolarHBondContact SD-OG 3.27Å; M236-M303 VanDerWaalsContact O-CE 3.26Å; M236-M303 WeakPolarHBondContact O-CE 3.41Å
237V94.7Very high92.3Very high5 Ų551.7 Ų51.73%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-139.3165.3178.1-52.20000111.5E244 Y245 L247 F301 M303 L312V237-E244 WeakPolarHBondContact O-CA 3.24Å; V237-Y245 WeakPolarHBondContact CG2-O 3.31Å; V237-Y245 PolarHBondContact N-O 3.38Å; V237-Y245 PolarHBondContact O-N 2.73Å; V237-Y245 VanDerWaalsContact O-O 3.05Å; V237-L247 HydrophobicContact CG1-CD1 3.89Å; V237-L247 HydrophobicContact CG1-CG 4.19Å; V237-L247 HydrophobicContact CG2-CD1 3.9Å; V237-L247 HydrophobicContact CG2-CG 3.79Å; V237-F301 HydrophobicContact CB-CB 4.03Å; V237-F301 HydrophobicContact CG1-CB 4.48Å; V237-F301 HydrophobicContact CG2-CB 3.9Å; V237-F301 HydrophobicContact CG2-CD1 3.51Å; V237-F301 HydrophobicContact CG2-CE1 4.24Å; V237-F301 HydrophobicContact CG2-CG 3.86Å; V237-M303 HydrophobicContact CB-CG 4.32Å; V237-M303 HydrophobicContact CG1-CE 4.27Å; V237-M303 HydrophobicContact CG1-CG 3.79Å; V237-M303 HydrophobicContact CG1-SD 4.2Å; V237-L312 HydrophobicContact CG1-CD2 3.86Å
238K94.3Very high92.4Very high53 Ų5351 Ų5123%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-116.3135.4172-75.2145.5-177.11660109.9N243 E244 F301 R302 D304K238-N243 CarbonylContact C-O 3.51Å; K238-N243 VanDerWaalsContact CA-O 3.31Å; K238-N243 WeakPolarHBondContact CA-O 3.46Å; K238-E244 WeakPolarHBondContact CE-OE1 3.19Å; K238-E244 HydrophobicContact CG-CG 3.89Å; K238-E244 IonicContact NZ-OE1 2.66Å; K238-E244 PolarHBondContact NZ-OE1 3.18Å; K238-F301 CarbonylContact O-C 3.58Å; K238-F301 WeakPolarHBondContact O-CA 3.32Å; K238-R302 PolarHBondContact N-O 3.25Å; K238-R302 PolarHBondContact O-N 3.37Å; K238-D304 VanDerWaalsContact NZ-CG 3.27Å; K238-D304 IonicContact NZ-OD1 3.75Å; K238-D304 PolarHBondContact NZ-OD1 2.94Å; K238-D304 IonicContact NZ-OD2 2.73Å; K238-D304 PolarHBondContact NZ-OD2 3.46Å
239A90.8Very high92.6Very high14 Ų1446.6 Ų46.612%0.11624%0.237CC..  trans-81.7-162.4176.100000111.8D241 N243 Y245 F301A239-D241 WeakPolarHBondContact CB-OD1 3.16Å; A239-N243 PolarHBondContact N-O 2.86Å; A239-Y245 HydrophobicContact CB-CD2 3.66Å; A239-Y245 HydrophobicContact CB-CE2 3.47Å; A239-Y245 VanDerWaalsContact CB-CE2 3.47Å; A239-F301 HydrophobicContact CB-CD1 4.31Å
240R84.8Confident92.6Very high214 Ų21445.1 Ų45.181%0.80823%0.23SC*.SBendtrans-76.3-32.9-176.9179.2179.3173.6-172.3-2.9113.1
241D83.6Confident92.4Very high100 Ų10044.9 Ų44.954%0.53523%0.23SC..SBendtrans-69.6-29.517749.611.2000113.2A239 N243A239-D241 WeakPolarHBondContact CB-OD1 3.16Å; D241-N243 PolarHBondContact OD1-N 2.76Å; D241-N243 PolarHBondContact OD2-ND2 2.9Å
242G85.3Confident92.3Very high51 Ų5147.3 Ų47.353%0.52624%0.244SC..SBendtrans110.7-5.3-175.200000114
243N90.8Very high92.2Very high80 Ų8046.9 Ų46.943%0.42824%0.241SC..  trans-68.7146.1177.5-67.3-39.7000111K238 A239 D241 Y245K238-N243 CarbonylContact C-O 3.51Å; K238-N243 VanDerWaalsContact CA-O 3.31Å; K238-N243 WeakPolarHBondContact CA-O 3.46Å; A239-N243 PolarHBondContact N-O 2.86Å; D241-N243 PolarHBondContact OD1-N 2.76Å; D241-N243 PolarHBondContact OD2-ND2 2.9Å; N243-Y245 HydrophobicContact CB-CD2 4.45Å; N243-Y245 HydrophobicContact CB-CE2 3.64Å; N243-Y245 WeakPolarHBondContact O-CD2 3.16Å
244E94.4Very high92.4Very high110 Ų11044.9 Ų44.951%0.51423%0.231SC..EExtended strand (participates in β ladder)trans-91.6128.8178.7-60.7-163.9152.500110.9V237 K238V237-E244 WeakPolarHBondContact O-CA 3.24Å; K238-E244 WeakPolarHBondContact CE-OE1 3.19Å; K238-E244 HydrophobicContact CG-CG 3.89Å; K238-E244 IonicContact NZ-OE1 2.66Å; K238-E244 PolarHBondContact NZ-OE1 3.18Å
245Y95.3Very high92.5Very high16 Ų1642.1 Ų42.16%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-126.4153.6179.4-65.6-86000110.1V237 A239 N243 V256 F257 E258V237-Y245 WeakPolarHBondContact CG2-O 3.31Å; V237-Y245 PolarHBondContact N-O 3.38Å; V237-Y245 PolarHBondContact O-N 2.73Å; V237-Y245 VanDerWaalsContact O-O 3.05Å; A239-Y245 HydrophobicContact CB-CD2 3.66Å; A239-Y245 HydrophobicContact CB-CE2 3.47Å; A239-Y245 VanDerWaalsContact CB-CE2 3.47Å; N243-Y245 HydrophobicContact CB-CD2 4.45Å; N243-Y245 HydrophobicContact CB-CE2 3.64Å; N243-Y245 WeakPolarHBondContact O-CD2 3.16Å; Y245-V256 HydrophobicContact CD1-CG1 4.4Å; Y245-F257 CarbonylContact C-O 3.54Å; Y245-F257 VanDerWaalsContact CA-O 3.28Å; Y245-F257 WeakPolarHBondContact CA-O 3.4Å; Y245-F257 WeakPolarHBondContact CB-O 3.38Å; Y245-F257 WeakPolarHBondContact CD1-O 3.39Å; Y245-E258 HydrophobicContact CD1-CB 3.9Å; Y245-E258 HydrophobicContact CD1-CG 4.15Å; Y245-E258 HydrophobicContact CE1-CB 3.7Å; Y245-E258 HydrophobicContact CE1-CG 3.61Å; Y245-E258 WeakPolarHBondContact CE1-OE1 3.33Å; Y245-E258 PolarHBondContact OH-OE1 2.93Å
246S95.3Very high92.6Very high11 Ų1141.6 Ų41.68%0.07722%0.216CC..EExtended strand (participates in β ladder)trans-112.9118.7177.8-34.50000108.6M234 M236 F257M234-S246 VanDerWaalsContact SD-C 3.59Å; M234-S246 WeakPolarHBondContact SD-CB 3.34Å; M236-S246 WeakPolarHBondContact CE-OG 3.47Å; M236-S246 PolarHBondContact SD-OG 3.27Å; S246-F257 PolarHBondContact N-O 3.48Å; S246-F257 PolarHBondContact O-N 3.46Å
247L95.8Very high92.6Very high4 Ų437 Ų372%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-100108.8178.3-62.7-176.4000110H235 V237 V254 L255 V256 L281 F301 L312H235-L247 PolarHBondContact N-O 3.18Å; H235-L247 PolarHBondContact O-N 3.11Å; V237-L247 HydrophobicContact CG1-CD1 3.89Å; V237-L247 HydrophobicContact CG1-CG 4.19Å; V237-L247 HydrophobicContact CG2-CD1 3.9Å; V237-L247 HydrophobicContact CG2-CG 3.79Å; L247-V254 HydrophobicContact CB-CG1 4.41Å; L247-V254 HydrophobicContact CD2-CG1 4.28Å; L247-L255 WeakPolarHBondContact CA-O 3.39Å; L247-V256 HydrophobicContact CD2-CB 4.38Å; L247-V256 HydrophobicContact CD2-CG1 4.13Å; L247-V256 HydrophobicContact CD2-CG2 3.85Å; L247-L281 HydrophobicContact CD1-CD2 4.23Å; L247-F301 HydrophobicContact CD1-CD2 3.83Å; L247-F301 HydrophobicContact CD1-CE2 4Å; L247-F301 HydrophobicContact CD1-CG 4.12Å; L247-F301 HydrophobicContact CD1-CZ 4.45Å; L247-F301 HydrophobicContact CD2-CE1 4.39Å; L247-F301 HydrophobicContact CD2-CE2 4.28Å; L247-F301 HydrophobicContact CD2-CZ 4.04Å; L247-L312 HydrophobicContact CD1-CD2 4.33Å
248G95.7Very high92.6Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-90.9119174.500000111D233 M234 V254 L255D233-G248 WeakPolarHBondContact O-CA 3.28Å; M234-G248 PolarHBondContact SD-N 2.85Å; M234-G248 VanDerWaalsContact SD-N 3.45Å; G248-V254 CarbonylContact O-C 3.59Å; G248-L255 PolarHBondContact N-O 2.7Å; G248-L255 PolarHBondContact O-N 3.49Å
249L95Very high92.3Very high2 Ų240.7 Ų40.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-79.8127.9167.7-50-178.9000108.5V232 D233 V254 W268 L312 C315 A316V232-L249 WeakPolarHBondContact CA-O 3.48Å; D233-L249 HydrophobicContact CB-CB 4.29Å; D233-L249 PolarHBondContact N-O 3.42Å; D233-L249 PolarHBondContact O-N 3.03Å; L249-V254 HydrophobicContact CD2-CG2 4.15Å; L249-W268 HydrophobicContact CD2-CH2 4.32Å; L249-L312 HydrophobicContact CD1-CD1 4.14Å; L249-L312 HydrophobicContact CD2-CD1 3.95Å; L249-L312 HydrophobicContact CG-CD1 4.2Å; L249-C315 HydrophobicContact CD1-CB 3.43Å; L249-C315 VanDerWaalsContact CD1-CB 3.43Å; L249-A316 HydrophobicContact CD1-CB 4.11Å; L249-A316 HydrophobicContact CD2-CB 3.72Å
250T94.2Very high92.1Very high11 Ų1149.2 Ų49.27%0.06726%0.262CS..  trans-128.4168.5-176.790.30000110.7V232 T252 G253 L255 W268V232-T250 HydrophobicContact CG2-CG2 3.97Å; T250-T252 PolarHBondContact O-N 2.73Å; T250-T252 PolarHBondContact OG1-N 2.76Å; T250-T252 VanDerWaalsContact OG1-N 3.15Å; T250-G253 PolarHBondContact N-O 3.19Å; T250-G253 PolarHBondContact OG1-N 3.2Å; T250-G253 VanDerWaalsContact OG1-N 3.07Å; T250-G253 PolarHBondContact OG1-O 3.46Å; T250-L255 HydrophobicContact CG2-CB 3.63Å; T250-L255 HydrophobicContact CG2-CD2 4.26Å; T250-W268 PolarHBondContact O-NE1 3.34Å
251P90.2Very high92.5Very high9 Ų943.3 Ų43.36%0.05825%0.25CS..SBendtrans-56.6-36.2172.3-26.337.8000112.6Y123 Y230 W268 F323Y123-P251 VanDerWaalsContact O-CB 3.27Å; Y123-P251 WeakPolarHBondContact O-CB 3.47Å; Y123-P251 WeakPolarHBondContact O-CG 3.11Å; Y230-P251 HydrophobicContact CE1-CG 4.35Å; P251-W268 PolarHBondContact O-NE1 3.5Å; P251-W268 VanDerWaalsContact O-NE1 3.08Å; P251-F323 HydrophobicContact CB-CE1 3.98Å; P251-F323 HydrophobicContact CB-CE2 4.39Å; P251-F323 HydrophobicContact CB-CZ 3.91Å; P251-F323 HydrophobicContact CG-CZ 4.43Å; P251-F323 WeakPolarHBondContact O-CD2 3.47Å; P251-F323 WeakPolarHBondContact O-CG 3.37Å
252T91.3Very high92.9Very high58 Ų5843 Ų4336%0.35624%0.244SC..SBendtrans-89.3-29.7-171.9-46.90000113.4T250 L265 F267 W268T250-T252 PolarHBondContact O-N 2.73Å; T250-T252 PolarHBondContact OG1-N 2.76Å; T250-T252 VanDerWaalsContact OG1-N 3.15Å; T252-L265 HydrophobicContact CG2-CD2 3.95Å; T252-F267 HydrophobicContact CG2-CD1 3.51Å; T252-F267 HydrophobicContact CG2-CE1 3.56Å; T252-F267 WeakPolarHBondContact O-CA 3.45Å; T252-W268 PolarHBondContact O-N 3.46Å
253G93.4Very high93.3Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans175.5-157.8-175.200000115.1T250 F266 W268T250-G253 PolarHBondContact N-O 3.19Å; T250-G253 PolarHBondContact OG1-N 3.2Å; T250-G253 VanDerWaalsContact OG1-N 3.07Å; T250-G253 PolarHBondContact OG1-O 3.46Å; G253-F266 CarbonylContact C-O 3.51Å; G253-F266 WeakPolarHBondContact CA-O 3.47Å; G253-W268 WeakPolarHBondContact O-CZ2 3.38Å
254V95.4Very high93.3Very high8 Ų839.4 Ų39.45%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-101.7109.7169.8-177.70000109.3L247 G248 L249 F266 W268 I271L247-V254 HydrophobicContact CB-CG1 4.41Å; L247-V254 HydrophobicContact CD2-CG1 4.28Å; G248-V254 CarbonylContact O-C 3.59Å; L249-V254 HydrophobicContact CD2-CG2 4.15Å; V254-F266 PolarHBondContact N-O 2.97Å; V254-F266 PolarHBondContact O-N 2.79Å; V254-W268 HydrophobicContact CG2-CH2 3.54Å; V254-W268 HydrophobicContact CG2-CZ2 4.39Å; V254-W268 HydrophobicContact CG2-CZ3 3.62Å; V254-I271 HydrophobicContact CB-CD1 4.35Å; V254-I271 HydrophobicContact CG2-CD1 3.78Å
255L95.4Very high93.3Very high7 Ų735.9 Ų35.94%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-80.6140.9174-176.761000109.7V232 L247 G248 T250 F257 K262 L265V232-L255 HydrophobicContact CG2-CD2 4.27Å; L247-L255 WeakPolarHBondContact CA-O 3.39Å; G248-L255 PolarHBondContact N-O 2.7Å; G248-L255 PolarHBondContact O-N 3.49Å; T250-L255 HydrophobicContact CG2-CB 3.63Å; T250-L255 HydrophobicContact CG2-CD2 4.26Å; L255-F257 HydrophobicContact CD1-CE2 4.44Å; L255-F257 HydrophobicContact CD2-CE2 3.48Å; L255-F257 VanDerWaalsContact CD2-CE2 3.48Å; L255-F257 HydrophobicContact CD2-CZ 3.9Å; L255-F257 HydrophobicContact CG-CD2 4.22Å; L255-F257 HydrophobicContact CG-CE2 3.6Å; L255-F257 HydrophobicContact CG-CZ 4.27Å; L255-K262 HydrophobicContact CD1-CD 3.98Å; L255-K262 HydrophobicContact CD1-CG 4.1Å; L255-L265 HydrophobicContact CB-CD1 4.17Å; L255-L265 HydrophobicContact CD1-CB 4.35Å
256V94.9Very high93.2Very high9 Ų935.2 Ų35.26%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-126128.6-176.3-172.90000110Y245 L247 I263 G264 F266Y245-V256 HydrophobicContact CD1-CG1 4.4Å; L247-V256 HydrophobicContact CD2-CB 4.38Å; L247-V256 HydrophobicContact CD2-CG1 4.13Å; L247-V256 HydrophobicContact CD2-CG2 3.85Å; V256-I263 HydrophobicContact CB-CB 4.38Å; V256-I263 HydrophobicContact CG1-CB 4.27Å; V256-I263 WeakPolarHBondContact O-CB 3.32Å; V256-I263 PolarHBondContact O-N 3.26Å; V256-G264 PolarHBondContact N-O 2.79Å; V256-G264 PolarHBondContact O-N 2.88Å; V256-F266 HydrophobicContact CG2-CD2 3.9Å; V256-F266 HydrophobicContact CG2-CE2 3.71Å
257F94.4Very high93.1Very high16 Ų1637.6 Ų37.67%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-119148.7170.3-65.8-99.4000111.6E228 M229 M234 Y245 S246 L255 T261 K262E228-F257 HydrophobicContact CG-CZ 4.26Å; E228-F257 WeakPolarHBondContact OE1-CE1 3.18Å; M229-F257 HydrophobicContact SD-CE2 4.25Å; M229-F257 HydrophobicContact SD-CZ 4.02Å; M234-F257 HydrophobicContact CE-CD2 3.55Å; M234-F257 HydrophobicContact CE-CE2 3.53Å; Y245-F257 CarbonylContact C-O 3.54Å; Y245-F257 VanDerWaalsContact CA-O 3.28Å; Y245-F257 WeakPolarHBondContact CA-O 3.4Å; Y245-F257 WeakPolarHBondContact CB-O 3.38Å; Y245-F257 WeakPolarHBondContact CD1-O 3.39Å; S246-F257 PolarHBondContact N-O 3.48Å; S246-F257 PolarHBondContact O-N 3.46Å; L255-F257 HydrophobicContact CD1-CE2 4.44Å; L255-F257 HydrophobicContact CD2-CE2 3.48Å; L255-F257 VanDerWaalsContact CD2-CE2 3.48Å; L255-F257 HydrophobicContact CD2-CZ 3.9Å; L255-F257 HydrophobicContact CG-CD2 4.22Å; L255-F257 HydrophobicContact CG-CE2 3.6Å; L255-F257 HydrophobicContact CG-CZ 4.27Å; F257-T261 CarbonylContact C-O 3.59Å; F257-T261 VanDerWaalsContact CA-O 3.25Å; F257-T261 WeakPolarHBondContact CA-O 3.24Å; F257-K262 HydrophobicContact CD1-CB 3.95Å; F257-K262 HydrophobicContact CE1-CB 3.7Å; F257-K262 HydrophobicContact CE1-CG 4.47Å; F257-K262 HydrophobicContact CZ-CB 4.39Å
258E93.9Very high93Very high81 Ų8137.7 Ų37.738%0.37921%0.207SC..EExtended strand (participates in β ladder)trans-113104.5166.4-171.5169.9-118.800107.4Y245 Q260 T261 I263Y245-E258 HydrophobicContact CD1-CB 3.9Å; Y245-E258 HydrophobicContact CD1-CG 4.15Å; Y245-E258 HydrophobicContact CE1-CB 3.7Å; Y245-E258 HydrophobicContact CE1-CG 3.61Å; Y245-E258 WeakPolarHBondContact CE1-OE1 3.33Å; Y245-E258 PolarHBondContact OH-OE1 2.93Å; E258-Q260 PolarHBondContact O-N 3.07Å; E258-Q260 VanDerWaalsContact O-N 3.15Å; E258-T261 PolarHBondContact N-O 2.92Å; E258-T261 WeakPolarHBondContact O-CB 3.3Å; E258-T261 PolarHBondContact O-N 3.46Å; E258-I263 HydrophobicContact CB-CD1 3.79Å; E258-I263 HydrophobicContact CB-CG1 3.71Å
259G89.3Confident92.6Very high54 Ų5442 Ų4256%0.55724%0.235SC*.THydrogen-bonded Turntrans59.4-115.6-164.300000111.5
260Q86.9Confident92.4Very high193 Ų19344.3 Ų44.390%0.90225%0.245SC*.THydrogen-bonded Turntrans-94.5-11.5174.1-69174.3-21.400113.2E258 K262E258-Q260 PolarHBondContact O-N 3.07Å; E258-Q260 VanDerWaalsContact O-N 3.15Å; Q260-K262 PolarHBondContact O-N 3.46Å
261T91.6Very high92.2Very high90 Ų9043.8 Ų43.855%0.55224%0.242SC*.EExtended strand (participates in β ladder)trans-81.9118.5-175.1-56.50000110.5F257 E258 I263F257-T261 CarbonylContact C-O 3.59Å; F257-T261 VanDerWaalsContact CA-O 3.25Å; F257-T261 WeakPolarHBondContact CA-O 3.24Å; E258-T261 PolarHBondContact N-O 2.92Å; E258-T261 WeakPolarHBondContact O-CB 3.3Å; E258-T261 PolarHBondContact O-N 3.46Å; T261-I263 HydrophobicContact CG2-CD1 4.35Å; T261-I263 PolarHBondContact O-N 2.66Å
262K93.3Very high92.1Very high93 Ų9344 Ų4440%0.40424%0.243SC..EExtended strand (participates in β ladder)trans-66.7115.7170.4174.5163.7160.9-178.20110.5E228 L255 F257 Q260E228-K262 VanDerWaalsContact CD-NZ 3.27Å; E228-K262 HydrophobicContact CG-CD 4.17Å; E228-K262 WeakPolarHBondContact OE1-CD 3.36Å; E228-K262 IonicContact OE1-NZ 2.79Å; E228-K262 WeakPolarHBondContact OE2-CD 3.5Å; E228-K262 IonicContact OE2-NZ 2.75Å; E228-K262 PolarHBondContact OE2-NZ 3.16Å; L255-K262 HydrophobicContact CD1-CD 3.98Å; L255-K262 HydrophobicContact CD1-CG 4.1Å; F257-K262 HydrophobicContact CD1-CB 3.95Å; F257-K262 HydrophobicContact CE1-CB 3.7Å; F257-K262 HydrophobicContact CE1-CG 4.47Å; F257-K262 HydrophobicContact CZ-CB 4.39Å; Q260-K262 PolarHBondContact O-N 3.46Å
263I92.4Very high92Very high41 Ų4145.6 Ų45.621%0.2124%0.242CC..EExtended strand (participates in β ladder)trans-85.4-42.7178.6-62.2-59.5000110.4V256 E258 T261 I559V256-I263 HydrophobicContact CB-CB 4.38Å; V256-I263 HydrophobicContact CG1-CB 4.27Å; V256-I263 WeakPolarHBondContact O-CB 3.32Å; V256-I263 PolarHBondContact O-N 3.26Å; E258-I263 HydrophobicContact CB-CD1 3.79Å; E258-I263 HydrophobicContact CB-CG1 3.71Å; T261-I263 HydrophobicContact CG2-CD1 4.35Å; T261-I263 PolarHBondContact O-N 2.66Å; I263-I559 HydrophobicContact CG2-CB 4.28Å; I263-I559 HydrophobicContact CG2-CG1 4.05Å; I263-I559 HydrophobicContact CG2-CG2 3.72Å; I263-I559 WeakPolarHBondContact O-CG1 3.28Å
264G92.2Very high91.9Very high15 Ų1545.8 Ų45.816%0.15524%0.243CC..EExtended strand (participates in β ladder)trans159-171.3173.300000114.6V256V256-G264 PolarHBondContact N-O 2.79Å; V256-G264 PolarHBondContact O-N 2.88Å
265L93.6Very high91.6Very high35 Ų3546 Ų4618%0.18324%0.244CC..EExtended strand (participates in β ladder)trans-127.9118.4-171.5175.263.1000111.7T252 L255 F267T252-L265 HydrophobicContact CG2-CD2 3.95Å; L255-L265 HydrophobicContact CB-CD1 4.17Å; L255-L265 HydrophobicContact CD1-CB 4.35Å; L265-F267 HydrophobicContact CD2-CE1 4.19Å; L265-F267 HydrophobicContact CD2-CZ 4.16Å; L265-F267 PolarHBondContact O-N 3.02Å
266F93.9Very high91.5Very high3 Ų346.3 Ų46.31%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-88.2100.9171.3-60.5-54.8000110.5G253 V254 V256 I271 L283 V285 F299 I559G253-F266 CarbonylContact C-O 3.51Å; G253-F266 WeakPolarHBondContact CA-O 3.47Å; V254-F266 PolarHBondContact N-O 2.97Å; V254-F266 PolarHBondContact O-N 2.79Å; V256-F266 HydrophobicContact CG2-CD2 3.9Å; V256-F266 HydrophobicContact CG2-CE2 3.71Å; F266-I271 HydrophobicContact CB-CD1 4.12Å; F266-I271 HydrophobicContact CB-CG1 4.22Å; F266-I271 WeakPolarHBondContact O-CD1 3.12Å; F266-L283 HydrophobicContact CD2-CD2 3.76Å; F266-L283 HydrophobicContact CE2-CD2 4.14Å; F266-V285 HydrophobicContact CB-CG1 4.41Å; F266-V285 HydrophobicContact CB-CG2 4.17Å; F266-V285 HydrophobicContact CD1-CB 4.28Å; F266-V285 HydrophobicContact CD1-CG1 3.85Å; F266-V285 HydrophobicContact CD1-CG2 3.83Å; F266-V285 HydrophobicContact CD2-CG2 4.25Å; F266-V285 HydrophobicContact CE1-CG2 4.22Å; F266-V285 HydrophobicContact CG-CG1 4.38Å; F266-V285 HydrophobicContact CG-CG2 3.84Å; F266-F299 AromaticContact CE1-CE2 3.71Å; F266-F299 HydrophobicContact CE1-CE2 3.71Å; F266-F299 AromaticContact CE1-CZ 3.85Å; F266-F299 HydrophobicContact CE1-CZ 3.85Å; F266-F299 HydrophobicContact CE2-CD2 4.14Å; F266-F299 HydrophobicContact CE2-CE2 4.09Å; F266-F299 HydrophobicContact CE2-CG 4.45Å; F266-F299 HydrophobicContact CE2-CZ 4.37Å; F266-F299 HydrophobicContact CZ-CD1 4.35Å; F266-F299 AromaticContact CZ-CD2 3.87Å; F266-F299 HydrophobicContact CZ-CD2 3.87Å; F266-F299 AromaticContact CZ-CE1 3.91Å; F266-F299 HydrophobicContact CZ-CE1 3.91Å; F266-F299 AromaticContact CZ-CE2 3.37Å; F266-F299 HydrophobicContact CZ-CE2 3.37Å; F266-F299 HydrophobicContact CZ-CG 4.34Å; F266-F299 AromaticContact CZ-CZ 3.39Å; F266-F299 HydrophobicContact CZ-CZ 3.39Å; F266-I559 HydrophobicContact CD1-CD1 3.94Å; F266-I559 HydrophobicContact CE1-CD1 3.4Å; F266-I559 HydrophobicContact CE2-CD1 4.28Å; F266-I559 HydrophobicContact CZ-CD1 3.59Å; F266-I559 HydrophobicContact CZ-CG2 4.38Å
267F92.8Very high91.3Very high61 Ų6151 Ų5127%0.26827%0.265SS..EExtended strand (participates in β ladder)trans-59.1140-178.8-66.1-97000112.8T252 L265 P269 K270 I271 L555T252-F267 HydrophobicContact CG2-CD1 3.51Å; T252-F267 HydrophobicContact CG2-CE1 3.56Å; T252-F267 WeakPolarHBondContact O-CA 3.45Å; L265-F267 HydrophobicContact CD2-CE1 4.19Å; L265-F267 HydrophobicContact CD2-CZ 4.16Å; L265-F267 PolarHBondContact O-N 3.02Å; F267-P269 VanDerWaalsContact C-CD 3.44Å; F267-P269 VanDerWaalsContact C-N 3.33Å; F267-P269 VanDerWaalsContact O-N 3.16Å; F267-K270 PolarHBondContact O-N 3.27Å; F267-I271 PolarHBondContact O-N 3.11Å; F267-L555 HydrophobicContact CZ-CD2 4.3Å
268W92.3Very high91.1Very high6 Ų658.4 Ų58.42%0.02330%0.297CS..THydrogen-bonded Turntrans-53.4-35.4-178.2-66.7124.5000115.5L249 T250 P251 T252 G253 V254 I271 A316 H319 H320 F323 R324L249-W268 HydrophobicContact CD2-CH2 4.32Å; T250-W268 PolarHBondContact O-NE1 3.34Å; P251-W268 PolarHBondContact O-NE1 3.5Å; P251-W268 VanDerWaalsContact O-NE1 3.08Å; T252-W268 PolarHBondContact O-N 3.46Å; G253-W268 WeakPolarHBondContact O-CZ2 3.38Å; V254-W268 HydrophobicContact CG2-CH2 3.54Å; V254-W268 HydrophobicContact CG2-CZ2 4.39Å; V254-W268 HydrophobicContact CG2-CZ3 3.62Å; W268-I271 HydrophobicContact CE3-CD1 3.67Å; W268-I271 HydrophobicContact CZ3-CD1 3.86Å; W268-A316 HydrophobicContact CH2-CB 4.41Å; W268-H319 HydrophobicContact CH2-CB 3.94Å; W268-H319 HydrophobicContact CZ2-CB 3.45Å; W268-H319 VanDerWaalsContact CZ2-CB 3.45Å; W268-H320 HydrophobicContact CD2-CB 4.27Å; W268-H320 HydrophobicContact CE3-CB 3.69Å; W268-H320 AromaticContact CE3-CD2 3.87Å; W268-H320 HydrophobicContact CZ3-CB 3.95Å; W268-F323 AromaticContact NE1-CD2 3.97Å; W268-R324 HydrophobicContact CB-CB 4.46Å; W268-R324 WeakPolarHBondContact O-CD 3.42Å; W268-R324 PolarHBondContact O-NH1 3.43Å
269P88.7Confident91.1Very high89 Ų8956.9 Ų56.958%0.57830%0.295SS*.THydrogen-bonded Turntrans-63.6-37.7173.2-25.937.3000114.4F267 I271 R324F267-P269 VanDerWaalsContact C-CD 3.44Å; F267-P269 VanDerWaalsContact C-N 3.33Å; F267-P269 VanDerWaalsContact O-N 3.16Å; P269-I271 VanDerWaalsContact C-N 3.32Å; P269-I271 PolarHBondContact O-N 2.98Å; P269-R324 PolarHBondContact O-NH1 3.2Å
270K90.2Very high91.3Very high51 Ų5158.1 Ų58.122%0.22229%0.285CS..THydrogen-bonded Turntrans-72-24179.7-75.7-168.5159.4-164.80113.1F267 T272 V285 V286 E287 D288F267-K270 PolarHBondContact O-N 3.27Å; K270-T272 PolarHBondContact O-N 2.99Å; K270-V285 HydrophobicContact CB-CG1 3.76Å; K270-V285 CarbonylContact O-C 3.52Å; K270-V285 WeakPolarHBondContact O-CA 3.23Å; K270-V286 WeakPolarHBondContact CB-O 3.12Å; K270-V286 WeakPolarHBondContact CD-O 3.47Å; K270-V286 VanDerWaalsContact CG-O 3.32Å; K270-V286 WeakPolarHBondContact CG-O 3.39Å; K270-V286 PolarHBondContact O-N 3.4Å; K270-E287 HydrophobicContact CD-CG 4.33Å; K270-E287 IonicContact NZ-OE1 2.7Å; K270-D288 IonicContact NZ-OD2 3.95Å
271I90.9Very high91.7Very high1 Ų149.3 Ų49.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-73.9106.2178.4-64.4169.4000110V254 F266 F267 W268 P269 L283 V285 R324 F680V254-I271 HydrophobicContact CB-CD1 4.35Å; V254-I271 HydrophobicContact CG2-CD1 3.78Å; F266-I271 HydrophobicContact CB-CD1 4.12Å; F266-I271 HydrophobicContact CB-CG1 4.22Å; F266-I271 WeakPolarHBondContact O-CD1 3.12Å; F267-I271 PolarHBondContact O-N 3.11Å; W268-I271 HydrophobicContact CE3-CD1 3.67Å; W268-I271 HydrophobicContact CZ3-CD1 3.86Å; P269-I271 VanDerWaalsContact C-N 3.32Å; P269-I271 PolarHBondContact O-N 2.98Å; I271-L283 HydrophobicContact CB-CD1 4.43Å; I271-L283 HydrophobicContact CD1-CD1 4.05Å; I271-L283 HydrophobicContact CG1-CD1 4.03Å; I271-L283 HydrophobicContact CG2-CD1 3.57Å; I271-V285 HydrophobicContact CG1-CG2 4.29Å; I271-R324 PolarHBondContact O-NH1 2.88Å; I271-F680 HydrophobicContact CG2-CD2 4.19Å; I271-F680 HydrophobicContact CG2-CE2 4.17Å
272T88.4Confident91.8Very high14 Ų1445.5 Ų45.59%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-87.9-27.5-179.552.40000113.3K270 V284 V286 F680 T681K270-T272 PolarHBondContact O-N 2.99Å; T272-V284 PolarHBondContact N-O 3.28Å; T272-V286 HydrophobicContact CG2-CB 4.17Å; T272-V286 HydrophobicContact CG2-CG2 3.47Å; T272-V286 VanDerWaalsContact CG2-CG2 3.47Å; T272-F680 WeakPolarHBondContact O-CA 3.45Å; T272-F680 VanDerWaalsContact O-CB 3.32Å; T272-F680 WeakPolarHBondContact O-CB 3.5Å; T272-F680 PolarHBondContact O-N 3.28Å; T272-T681 HydrophobicContact CG2-CG2 3.98Å
273R87.9Confident91.9Very high90 Ų9041.3 Ų41.334%0.3420%0.203SC..EExtended strand (participates in β ladder)trans-150.5139-175.3173-179.3170.9-179.54.2112.6D275 V284 L677R273-D275 IonicContact NH2-OD2 2.91Å; R273-D275 PolarHBondContact NH2-OD2 3.47Å; R273-V284 HydrophobicContact CB-CB 4Å; R273-V284 HydrophobicContact CB-CG2 3.98Å; R273-V284 HydrophobicContact CG-CG2 4.23Å; R273-V284 PolarHBondContact N-O 3.08Å; R273-V284 PolarHBondContact O-N 3.11Å; R273-L677 HydrophobicContact CG-CD1 3.68Å
274L91.5Very high91.9Very high5 Ų539.5 Ų39.53%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-138.7117.7172.3-174.363.7000111.7L281 L283 W313 A316 V317 I678 F680L274-L281 HydrophobicContact CD1-CD1 3.97Å; L274-L281 HydrophobicContact CD1-CD2 4.45Å; L274-L281 HydrophobicContact CD1-CG 4.16Å; L274-L283 HydrophobicContact CD1-CB 4.26Å; L274-L283 HydrophobicContact CD1-CD1 3.97Å; L274-W313 PolarHBondContact O-NE1 3.07Å; L274-A316 HydrophobicContact CD2-CB 3.44Å; L274-A316 VanDerWaalsContact CD2-CB 3.44Å; L274-V317 HydrophobicContact CD2-CG2 4.17Å; L274-I678 PolarHBondContact N-O 3.37Å; L274-F680 HydrophobicContact CB-CE2 3.64Å; L274-F680 HydrophobicContact CB-CZ 4.11Å
275D90Very high91.9Very high11 Ų1138.8 Ų38.86%0.05919%0.187CC..EExtended strand (participates in β ladder)trans-134.4154.5-170.2-169.94.9000110.6R273 T282 S674 L677R273-D275 IonicContact NH2-OD2 2.91Å; R273-D275 PolarHBondContact NH2-OD2 3.47Å; D275-T282 PolarHBondContact N-O 3.12Å; D275-T282 PolarHBondContact O-N 3.36Å; D275-S674 WeakPolarHBondContact OD2-CB 3.4Å; D275-S674 PolarHBondContact OD2-OG 2.7Å; D275-L677 HydrophobicContact CB-CD1 4.44Å
276F92Very high91.8Very high14 Ų1438.2 Ų38.26%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-140.6143.9174.491-76.4000112.1K280 L281 K310 W313 N676F276-K280 CarbonylContact C-O 3.58Å; F276-K280 VanDerWaalsContact CA-O 3.26Å; F276-K280 WeakPolarHBondContact CA-O 3.23Å; F276-L281 HydrophobicContact CB-CD1 4.21Å; F276-K310 HydrophobicContact CD2-CB 4.22Å; F276-K310 HydrophobicContact CE1-CG 4.31Å; F276-K310 HydrophobicContact CE2-CB 3.69Å; F276-K310 HydrophobicContact CE2-CD 4.03Å; F276-K310 HydrophobicContact CE2-CG 3.88Å; F276-K310 HydrophobicContact CZ-CB 4.04Å; F276-K310 HydrophobicContact CZ-CD 3.68Å; F276-K310 HydrophobicContact CZ-CG 3.67Å; F276-W313 HydrophobicContact CB-CB 4.03Å; F276-W313 HydrophobicContact CB-CG 3.91Å; F276-W313 HydrophobicContact CD1-CB 4.15Å; F276-W313 AromaticContact CD1-CD1 3.97Å; F276-W313 AromaticContact CD1-CD2 3.34Å; F276-W313 HydrophobicContact CD1-CD2 3.34Å; F276-W313 AromaticContact CD1-CE2 3.74Å; F276-W313 AromaticContact CD1-CE3 3.6Å; F276-W313 HydrophobicContact CD1-CE3 3.6Å; F276-W313 AromaticContact CD1-CG 3.56Å; F276-W313 HydrophobicContact CD1-CG 3.56Å; F276-W313 HydrophobicContact CD1-CZ2 4.34Å; F276-W313 HydrophobicContact CD1-CZ3 4.21Å; F276-W313 AromaticContact CE1-CD2 3.84Å; F276-W313 HydrophobicContact CE1-CD2 3.84Å; F276-W313 AromaticContact CE1-CE3 3.57Å; F276-W313 HydrophobicContact CE1-CE3 3.57Å; F276-W313 HydrophobicContact CE1-CG 4.44Å; F276-W313 HydrophobicContact CE1-CH2 4.3Å; F276-W313 AromaticContact CE1-CZ3 3.83Å; F276-W313 HydrophobicContact CE1-CZ3 3.83Å; F276-W313 HydrophobicContact CG-CB 4.18Å; F276-W313 HydrophobicContact CG-CD2 4.23Å; F276-W313 AromaticContact CG-CG 3.99Å; F276-W313 HydrophobicContact CG-CG 3.99Å; F276-N676 HydrophobicContact CD1-CB 3.68Å; F276-N676 HydrophobicContact CE1-CB 3.57Å; F276-N676 PolarHBondContact O-ND2 3.01Å
277K91.8Very high91.5Very high109 Ų10938.6 Ų38.647%0.47419%0.186SC..EExtended strand (participates in β ladder)trans-143.8111.8177.1-167.2168.7-173.3171.50110.5S279 K280K277-S279 PolarHBondContact O-N 2.89Å; K277-S279 VanDerWaalsContact O-N 3.1Å; K277-K280 PolarHBondContact N-O 2.93Å; K277-K280 WeakPolarHBondContact O-CB 3.21Å; K277-K280 PolarHBondContact O-N 3.11Å
278K90.5Very high91.1Very high171 Ų17140.2 Ų40.274%0.74320%0.198SC*.THydrogen-bonded Turntrans56.1-105.9-171-57.9-179.1179.5-178.20111P306K278-P306 WeakPolarHBondContact O-CA 3.49Å; K278-P306 VanDerWaalsContact O-CB 3.25Å; K278-P306 WeakPolarHBondContact O-CB 3.12Å
279S92.9Very high90.7Very high49 Ų4941.9 Ų41.934%0.34321%0.207SC..THydrogen-bonded Turntrans-99.6-8177.240.30000113.8K277 R302 M303 C309K277-S279 PolarHBondContact O-N 2.89Å; K277-S279 VanDerWaalsContact O-N 3.1Å; S279-R302 CarbonylContact O-C 3.54Å; S279-R302 VanDerWaalsContact O-CA 3.32Å; S279-R302 WeakPolarHBondContact O-CA 3.33Å; S279-M303 WeakPolarHBondContact CB-O 3.44Å; S279-M303 PolarHBondContact O-N 2.99Å; S279-C309 VanDerWaalsContact C-SG 3.57Å; S279-C309 PolarHBondContact O-SG 3.02Å
280K93.9Very high90.3Very high79 Ų7946.2 Ų46.234%0.34323%0.225SC..EExtended strand (participates in β ladder)trans-86.4122.9-179.1-167.5-148.8-176.9-150.70110.3F276 K277 T282 V300 F301 C309F276-K280 CarbonylContact C-O 3.58Å; F276-K280 VanDerWaalsContact CA-O 3.26Å; F276-K280 WeakPolarHBondContact CA-O 3.23Å; K277-K280 PolarHBondContact N-O 2.93Å; K277-K280 WeakPolarHBondContact O-CB 3.21Å; K277-K280 PolarHBondContact O-N 3.11Å; K280-T282 WeakPolarHBondContact CE-OG1 3.27Å; K280-T282 PolarHBondContact NZ-OG1 3.17Å; K280-V300 HydrophobicContact CD-CG1 4.31Å; K280-V300 HydrophobicContact CG-CG1 4.05Å; K280-F301 CarbonylContact C-O 3.43Å; K280-F301 WeakPolarHBondContact CA-O 3.1Å; K280-C309 VanDerWaalsContact C-SG 3.59Å
281L95.1Very high89.8Confident8 Ų852.7 Ų52.74%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-92.6150.3162-168.471.4000108.9L247 L274 F276 F301 L312 W313L247-L281 HydrophobicContact CD1-CD2 4.23Å; L274-L281 HydrophobicContact CD1-CD1 3.97Å; L274-L281 HydrophobicContact CD1-CD2 4.45Å; L274-L281 HydrophobicContact CD1-CG 4.16Å; F276-L281 HydrophobicContact CB-CD1 4.21Å; L281-F301 HydrophobicContact CB-CB 4.33Å; L281-F301 PolarHBondContact N-O 3.46Å; L281-F301 PolarHBondContact O-N 3.26Å; L281-L312 HydrophobicContact CD2-CD2 3.81Å; L281-L312 HydrophobicContact CD2-CG 4.14Å; L281-W313 HydrophobicContact CD1-CB 3.79Å; L281-W313 HydrophobicContact CD1-CG 4.34Å
282T94.3Very high89.2Confident10 Ų1055.5 Ų55.56%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-141.5120.8173.7-58.90000109.5D275 K280 T298 F299 V300D275-T282 PolarHBondContact N-O 3.12Å; D275-T282 PolarHBondContact O-N 3.36Å; K280-T282 WeakPolarHBondContact CE-OG1 3.27Å; K280-T282 PolarHBondContact NZ-OG1 3.17Å; T282-T298 HydrophobicContact CG2-CG2 3.86Å; T282-F299 WeakPolarHBondContact CA-O 3.49Å; T282-V300 HydrophobicContact CG2-CG2 4.27Å
283L94.2Very high89Confident6 Ų661.6 Ų61.63%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-114.2129.9-178.5175.872.4000107.2F266 I271 L274 V285 F299F266-L283 HydrophobicContact CD2-CD2 3.76Å; F266-L283 HydrophobicContact CE2-CD2 4.14Å; I271-L283 HydrophobicContact CB-CD1 4.43Å; I271-L283 HydrophobicContact CD1-CD1 4.05Å; I271-L283 HydrophobicContact CG1-CD1 4.03Å; I271-L283 HydrophobicContact CG2-CD1 3.57Å; L274-L283 HydrophobicContact CD1-CB 4.26Å; L274-L283 HydrophobicContact CD1-CD1 3.97Å; L283-V285 HydrophobicContact CD2-CG2 4.01Å; L283-V285 HydrophobicContact CG-CG2 3.93Å; L283-F299 HydrophobicContact CB-CB 4.4Å; L283-F299 PolarHBondContact N-O 3.47Å; L283-F299 PolarHBondContact O-N 3.25Å
284V93.2Very high88.8Confident3 Ų364.1 Ų64.12%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-115.6132.2169.1-1670000108.6T272 R273 E296 H297 T298T272-V284 PolarHBondContact N-O 3.28Å; R273-V284 HydrophobicContact CB-CB 4Å; R273-V284 HydrophobicContact CB-CG2 3.98Å; R273-V284 HydrophobicContact CG-CG2 4.23Å; R273-V284 PolarHBondContact N-O 3.08Å; R273-V284 PolarHBondContact O-N 3.11Å; V284-E296 HydrophobicContact CG1-CB 3.82Å; V284-E296 HydrophobicContact CG1-CG 4.03Å; V284-H297 WeakPolarHBondContact CA-O 3.3Å; V284-T298 HydrophobicContact CG2-CG2 4.3Å
285V92.8Very high88.6Confident0 Ų067.9 Ų67.90%034%0.344CS..EExtended strand (participates in β ladder)trans-124.4130.7-178.6-1690000107.6F266 K270 I271 L283 E287 H297 F299F266-V285 HydrophobicContact CB-CG1 4.41Å; F266-V285 HydrophobicContact CB-CG2 4.17Å; F266-V285 HydrophobicContact CD1-CB 4.28Å; F266-V285 HydrophobicContact CD1-CG1 3.85Å; F266-V285 HydrophobicContact CD1-CG2 3.83Å; F266-V285 HydrophobicContact CD2-CG2 4.25Å; F266-V285 HydrophobicContact CE1-CG2 4.22Å; F266-V285 HydrophobicContact CG-CG1 4.38Å; F266-V285 HydrophobicContact CG-CG2 3.84Å; K270-V285 HydrophobicContact CB-CG1 3.76Å; K270-V285 CarbonylContact O-C 3.52Å; K270-V285 WeakPolarHBondContact O-CA 3.23Å; I271-V285 HydrophobicContact CG1-CG2 4.29Å; L283-V285 HydrophobicContact CD2-CG2 4.01Å; L283-V285 HydrophobicContact CG-CG2 3.93Å; V285-E287 HydrophobicContact CG1-CG 3.98Å; V285-H297 PolarHBondContact N-O 3.25Å; V285-H297 PolarHBondContact O-N 3.06Å; V285-F299 HydrophobicContact CB-CE2 4.33Å; V285-F299 HydrophobicContact CG2-CD2 4.03Å; V285-F299 HydrophobicContact CG2-CE2 4.01Å
286V91.3Very high88.7Confident22 Ų2273.3 Ų73.313%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-87.9123.7167168.50000108.8K270 T272 E294 Q295 E296K270-V286 WeakPolarHBondContact CB-O 3.12Å; K270-V286 WeakPolarHBondContact CD-O 3.47Å; K270-V286 VanDerWaalsContact CG-O 3.32Å; K270-V286 WeakPolarHBondContact CG-O 3.39Å; K270-V286 PolarHBondContact O-N 3.4Å; T272-V286 HydrophobicContact CG2-CB 4.17Å; T272-V286 HydrophobicContact CG2-CG2 3.47Å; T272-V286 VanDerWaalsContact CG2-CG2 3.47Å; V286-E294 HydrophobicContact CG1-CB 3.64Å; V286-E294 HydrophobicContact CG1-CG 3.72Å; V286-Q295 WeakPolarHBondContact CA-O 3.31Å; V286-E296 HydrophobicContact CG2-CG 3.81Å
287E87.3Confident88.6Confident11 Ų1174.9 Ų74.95%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-125.7147.9168.5-50.6-148.3118.100109.6K270 V285 Q295 S557K270-E287 HydrophobicContact CD-CG 4.33Å; K270-E287 IonicContact NZ-OE1 2.7Å; V285-E287 HydrophobicContact CG1-CG 3.98Å; E287-Q295 PolarHBondContact N-O 2.81Å; E287-Q295 PolarHBondContact O-N 2.59Å; E287-S557 PolarHBondContact OE1-OG 3.28Å
288D84.9Confident88.6Confident96 Ų9673.8 Ų73.851%0.51338%0.379SS..EExtended strand (participates in β ladder)trans-77131.6175.6-39.2-85.9000109.3K270K270-D288 IonicContact NZ-OD2 3.95Å
289D82.8Confident88.7Confident40 Ų4067.2 Ų67.221%0.21435%0.351CS..  trans-75.9176.517466.822.4000113Q291 G292 K293 Q295D289-Q291 PolarHBondContact O-N 3.29Å; D289-Q291 WeakPolarHBondContact OD1-CA 3.4Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.43Å; D289-Q291 PolarHBondContact OD1-N 2.97Å; D289-G292 PolarHBondContact O-N 3.12Å; D289-G292 PolarHBondContact OD1-N 3.25Å; D289-G292 VanDerWaalsContact OD1-N 3.12Å; D289-K293 PolarHBondContact N-O 2.92Å; D289-K293 PolarHBondContact OD1-N 2.96Å; D289-Q295 HydrophobicContact CB-CG 4.09Å; D289-Q295 PolarHBondContact OD2-NE2 2.89Å
290D79.9Confident88.8Confident181 Ų18166.7 Ų66.797%0.96835%0.345SS*.THydrogen-bonded Turntrans-59.7-9.9177.9-62.4-53.6000113.9
291Q79.6Confident88.8Confident186 Ų18663.5 Ų63.587%0.86933%0.331SS*.THydrogen-bonded Turntrans-105.13176.2-54.5-174.89.900112.4D289D289-Q291 PolarHBondContact O-N 3.29Å; D289-Q291 WeakPolarHBondContact OD1-CA 3.4Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.43Å; D289-Q291 PolarHBondContact OD1-N 2.97Å
292G79.4Confident88.8Confident61 Ų6169.6 Ų69.663%0.62935%0.354SS*.SBendtrans78.324.6179.300000114.2D289D289-G292 PolarHBondContact O-N 3.12Å; D289-G292 PolarHBondContact OD1-N 3.25Å; D289-G292 VanDerWaalsContact OD1-N 3.12Å
293K82.9Confident88.7Confident142 Ų14270 Ų7062%0.61736%0.356SS*.  trans-108.1133.6179.2178.5-167.6170.8-165.20111.2D289 Q295D289-K293 PolarHBondContact N-O 2.92Å; D289-K293 PolarHBondContact OD1-N 2.96Å; K293-Q295 PolarHBondContact O-N 2.87Å
294E85.2Confident88.5Confident142 Ų14276.2 Ų76.266%0.66439%0.389SS*.EExtended strand (participates in β ladder)trans-57.3123.9174-66.9-177.6166.600112.4V286V286-E294 HydrophobicContact CG1-CB 3.64Å; V286-E294 HydrophobicContact CG1-CG 3.72Å
295Q86.9Confident88.3Confident84 Ų8480.4 Ų80.439%0.39341%0.408SS..EExtended strand (participates in β ladder)trans-123137.7171.5-62.5-160.418.800111.7V286 E287 D289 K293 H297V286-Q295 WeakPolarHBondContact CA-O 3.31Å; E287-Q295 PolarHBondContact N-O 2.81Å; E287-Q295 PolarHBondContact O-N 2.59Å; D289-Q295 HydrophobicContact CB-CG 4.09Å; D289-Q295 PolarHBondContact OD2-NE2 2.89Å; K293-Q295 PolarHBondContact O-N 2.87Å; Q295-H297 PolarHBondContact O-CD2 3.17Å
296E91.3Very high88.2Confident126 Ų12683.3 Ų83.359%0.58943%0.427SS*.EExtended strand (participates in β ladder)trans-88.9106.1177.7-77.5-161161.100112.9V284 V286V284-E296 HydrophobicContact CG1-CB 3.82Å; V284-E296 HydrophobicContact CG1-CG 4.03Å; V286-E296 HydrophobicContact CG2-CG 3.81Å
297H90.1Very high88Confident47 Ų4789.4 Ų89.422%0.21845%0.451CS..EExtended strand (participates in β ladder)trans-90.1114.2173.5-66.1-87.1000110.8V284 V285 Q295 F299 L560V284-H297 WeakPolarHBondContact CA-O 3.3Å; V285-H297 PolarHBondContact N-O 3.25Å; V285-H297 PolarHBondContact O-N 3.06Å; Q295-H297 PolarHBondContact O-CD2 3.17Å; H297-F299 HydrophobicContact CB-CD2 4.49Å; H297-F299 HydrophobicContact CB-CE2 3.61Å; H297-F299 HydrophobicContact CB-CZ 3.9Å; H297-L560 WeakPolarHBondContact CE1-CD1 3.35Å
298T93.1Very high88Confident85 Ų8590.5 Ų90.552%0.52146%0.462SS..EExtended strand (participates in β ladder)trans-97.6105.6-179.2-65.20000111.9T282 V284 V300T282-T298 HydrophobicContact CG2-CG2 3.86Å; V284-T298 HydrophobicContact CG2-CG2 4.3Å; T298-V300 HydrophobicContact CG2-CG2 4.36Å
299F92.5Very high88.4Confident33 Ų3385.9 Ų85.915%0.14544%0.438CS..EExtended strand (participates in β ladder)trans-91.4137.4175.3-57.9-84.9000111.3F266 T282 L283 V285 H297 F301 L560F266-F299 AromaticContact CE1-CE2 3.71Å; F266-F299 HydrophobicContact CE1-CE2 3.71Å; F266-F299 AromaticContact CE1-CZ 3.85Å; F266-F299 HydrophobicContact CE1-CZ 3.85Å; F266-F299 HydrophobicContact CE2-CD2 4.14Å; F266-F299 HydrophobicContact CE2-CE2 4.09Å; F266-F299 HydrophobicContact CE2-CG 4.45Å; F266-F299 HydrophobicContact CE2-CZ 4.37Å; F266-F299 HydrophobicContact CZ-CD1 4.35Å; F266-F299 AromaticContact CZ-CD2 3.87Å; F266-F299 HydrophobicContact CZ-CD2 3.87Å; F266-F299 AromaticContact CZ-CE1 3.91Å; F266-F299 HydrophobicContact CZ-CE1 3.91Å; F266-F299 AromaticContact CZ-CE2 3.37Å; F266-F299 HydrophobicContact CZ-CE2 3.37Å; F266-F299 HydrophobicContact CZ-CG 4.34Å; F266-F299 AromaticContact CZ-CZ 3.39Å; F266-F299 HydrophobicContact CZ-CZ 3.39Å; T282-F299 WeakPolarHBondContact CA-O 3.49Å; L283-F299 HydrophobicContact CB-CB 4.4Å; L283-F299 PolarHBondContact N-O 3.47Å; L283-F299 PolarHBondContact O-N 3.25Å; V285-F299 HydrophobicContact CB-CE2 4.33Å; V285-F299 HydrophobicContact CG2-CD2 4.03Å; V285-F299 HydrophobicContact CG2-CE2 4.01Å; H297-F299 HydrophobicContact CB-CD2 4.49Å; H297-F299 HydrophobicContact CB-CE2 3.61Å; H297-F299 HydrophobicContact CB-CZ 3.9Å; F299-F301 HydrophobicContact CB-CE2 3.68Å; F299-F301 HydrophobicContact CB-CZ 3.96Å; F299-L560 HydrophobicContact CZ-CD2 4.4Å
300V94Very high88.8Confident38 Ų3887.8 Ų87.823%0.2344%0.444CS..EExtended strand (participates in β ladder)trans-127115.9-176.3166.20000110.2K280 T282 T298K280-V300 HydrophobicContact CD-CG1 4.31Å; K280-V300 HydrophobicContact CG-CG1 4.05Å; T282-V300 HydrophobicContact CG2-CG2 4.27Å; T298-V300 HydrophobicContact CG2-CG2 4.36Å
301F94.9Very high89.2Confident12 Ų1281.5 Ų81.55%0.05341%0.409CS..EExtended strand (participates in β ladder)trans-117.6159.8178.5-54-76000111.1V237 K238 A239 L247 K280 L281 F299V237-F301 HydrophobicContact CB-CB 4.03Å; V237-F301 HydrophobicContact CG1-CB 4.48Å; V237-F301 HydrophobicContact CG2-CB 3.9Å; V237-F301 HydrophobicContact CG2-CD1 3.51Å; V237-F301 HydrophobicContact CG2-CE1 4.24Å; V237-F301 HydrophobicContact CG2-CG 3.86Å; K238-F301 CarbonylContact O-C 3.58Å; K238-F301 WeakPolarHBondContact O-CA 3.32Å; A239-F301 HydrophobicContact CB-CD1 4.31Å; L247-F301 HydrophobicContact CD1-CD2 3.83Å; L247-F301 HydrophobicContact CD1-CE2 4Å; L247-F301 HydrophobicContact CD1-CG 4.12Å; L247-F301 HydrophobicContact CD1-CZ 4.45Å; L247-F301 HydrophobicContact CD2-CE1 4.39Å; L247-F301 HydrophobicContact CD2-CE2 4.28Å; L247-F301 HydrophobicContact CD2-CZ 4.04Å; K280-F301 CarbonylContact C-O 3.43Å; K280-F301 WeakPolarHBondContact CA-O 3.1Å; L281-F301 HydrophobicContact CB-CB 4.33Å; L281-F301 PolarHBondContact N-O 3.46Å; L281-F301 PolarHBondContact O-N 3.26Å; F299-F301 HydrophobicContact CB-CE2 3.68Å; F299-F301 HydrophobicContact CB-CZ 3.96Å
302R94.3Very high89.7Confident137 Ų13772.8 Ų72.852%0.51737%0.368SS..EExtended strand (participates in β ladder)trans-133.4144179.6-68173.8171.7169.9-2.7108.7K238 S279K238-R302 PolarHBondContact N-O 3.25Å; K238-R302 PolarHBondContact O-N 3.37Å; S279-R302 CarbonylContact O-C 3.54Å; S279-R302 VanDerWaalsContact O-CA 3.32Å; S279-R302 WeakPolarHBondContact O-CA 3.33Å
303M93.1Very high90.4Very high19 Ų1969.9 Ų69.99%0.09434%0.338CS..  trans-126144.7171.1-62.2176.595.300109.8H235 M236 V237 S279 H305 A308 C309 L312H235-M303 HydrophobicContact CB-CE 4.14Å; M236-M303 VanDerWaalsContact O-CE 3.26Å; M236-M303 WeakPolarHBondContact O-CE 3.41Å; V237-M303 HydrophobicContact CB-CG 4.32Å; V237-M303 HydrophobicContact CG1-CE 4.27Å; V237-M303 HydrophobicContact CG1-CG 3.79Å; V237-M303 HydrophobicContact CG1-SD 4.2Å; S279-M303 WeakPolarHBondContact CB-O 3.44Å; S279-M303 PolarHBondContact O-N 2.99Å; M303-H305 PolarHBondContact O-N 3.28Å; M303-H305 VanDerWaalsContact O-N 3.1Å; M303-A308 HydrophobicContact CE-CB 4.01Å; M303-A308 HydrophobicContact SD-CB 4.3Å; M303-C309 HydrophobicContact CB-CB 4.27Å; M303-C309 WeakPolarHBondContact SD-CA 3.31Å; M303-C309 HydrophobicContact SD-CB 4.11Å; M303-C309 PolarHBondContact SD-N 2.79Å; M303-C309 VanDerWaalsContact SD-N 3.43Å; M303-L312 HydrophobicContact CE-CB 4.43Å; M303-L312 HydrophobicContact CE-CD2 4.08Å; M303-L312 HydrophobicContact SD-CB 4.12Å; M303-L312 HydrophobicContact SD-CD2 3.71Å
304D88.8Confident90.7Very high136 Ų13665 Ų6573%0.72732%0.317SS*.SBendtrans-61.3-26.1-172.9-57.5-52.9000113.2K238K238-D304 VanDerWaalsContact NZ-CG 3.27Å; K238-D304 IonicContact NZ-OD1 3.75Å; K238-D304 PolarHBondContact NZ-OD1 2.94Å; K238-D304 IonicContact NZ-OD2 2.73Å; K238-D304 PolarHBondContact NZ-OD2 3.46Å
305H89.4Confident91Very high90 Ų9058.4 Ų58.442%0.41729%0.286SS..SBendtrans-123.4125.2178.9-176.4-130.8000112.6M303 K307 A308 C309M303-H305 PolarHBondContact O-N 3.28Å; M303-H305 VanDerWaalsContact O-N 3.1Å; H305-K307 PolarHBondContact CE1-NZ 3.18Å; H305-K307 PolarHBondContact NE2-NZ 2.95Å; H305-K307 VanDerWaalsContact NE2-NZ 3.13Å; H305-K307 PolarHBondContact O-N 3.16Å; H305-K307 VanDerWaalsContact O-N 3.13Å; H305-A308 WeakPolarHBondContact O-CB 3.47Å; H305-A308 PolarHBondContact O-N 3.43Å; H305-C309 PolarHBondContact O-N 3.17Å
306P90Very high91.3Very high61 Ų6154.6 Ų54.640%0.39627%0.269SS..Hα-helixtrans-66.3-19.3-174.525.9-36.4000114.4K278 K310K278-P306 WeakPolarHBondContact O-CA 3.49Å; K278-P306 VanDerWaalsContact O-CB 3.25Å; K278-P306 WeakPolarHBondContact O-CB 3.12Å; P306-K310 WeakPolarHBondContact O-CB 3.22Å; P306-K310 PolarHBondContact O-N 3.49Å; P306-K310 VanDerWaalsContact O-N 3.08Å
307K88Confident91.2Very high151 Ų15148.9 Ų48.966%0.65724%0.243SC*.Hα-helixtrans-74.6-30.6172.5-50.1-173.9-161.1109.30111.9H305 H311H305-K307 PolarHBondContact CE1-NZ 3.18Å; H305-K307 PolarHBondContact NE2-NZ 2.95Å; H305-K307 VanDerWaalsContact NE2-NZ 3.13Å; H305-K307 PolarHBondContact O-N 3.16Å; H305-K307 VanDerWaalsContact O-N 3.13Å; K307-H311 WeakPolarHBondContact O-CB 3.41Å; K307-H311 PolarHBondContact O-N 3.14Å
308A88.1Confident91.2Very high33 Ų3348 Ų4827%0.27324%0.239SC..Hα-helixtrans-70-45.9173.400000110.4M303 H305 K310 H311 L312M303-A308 HydrophobicContact CE-CB 4.01Å; M303-A308 HydrophobicContact SD-CB 4.3Å; H305-A308 WeakPolarHBondContact O-CB 3.47Å; H305-A308 PolarHBondContact O-N 3.43Å; A308-K310 VanDerWaalsContact C-N 3.3Å; A308-K310 PolarHBondContact O-N 3.46Å; A308-H311 CarbonylContact O-C 3.5Å; A308-H311 WeakPolarHBondContact O-CA 3.22Å; A308-H311 WeakPolarHBondContact O-CB 3.37Å; A308-H311 PolarHBondContact O-N 3.2Å; A308-L312 PolarHBondContact O-N 3.2Å
309C92.1Very high91.1Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-54.3-45.1172.1-176.20000112.3S279 K280 M303 H305 H311 W313S279-C309 VanDerWaalsContact C-SG 3.57Å; S279-C309 PolarHBondContact O-SG 3.02Å; K280-C309 VanDerWaalsContact C-SG 3.59Å; M303-C309 HydrophobicContact CB-CB 4.27Å; M303-C309 WeakPolarHBondContact SD-CA 3.31Å; M303-C309 HydrophobicContact SD-CB 4.11Å; M303-C309 PolarHBondContact SD-N 2.79Å; M303-C309 VanDerWaalsContact SD-N 3.43Å; H305-C309 PolarHBondContact O-N 3.17Å; C309-H311 VanDerWaalsContact C-N 3.31Å; C309-H311 PolarHBondContact O-N 2.96Å; C309-W313 VanDerWaalsContact O-CB 3.26Å; C309-W313 WeakPolarHBondContact O-CB 3.15Å; C309-W313 PolarHBondContact O-N 2.92Å
310K90.6Very high90.9Very high80 Ų8042.8 Ų42.835%0.34821%0.209SC..Hα-helixtrans-67.2-27.5174.2-174.3166.8-173.9163.80113.8F276 P306 A308 K314 S343F276-K310 HydrophobicContact CD2-CB 4.22Å; F276-K310 HydrophobicContact CE1-CG 4.31Å; F276-K310 HydrophobicContact CE2-CB 3.69Å; F276-K310 HydrophobicContact CE2-CD 4.03Å; F276-K310 HydrophobicContact CE2-CG 3.88Å; F276-K310 HydrophobicContact CZ-CB 4.04Å; F276-K310 HydrophobicContact CZ-CD 3.68Å; F276-K310 HydrophobicContact CZ-CG 3.67Å; P306-K310 WeakPolarHBondContact O-CB 3.22Å; P306-K310 PolarHBondContact O-N 3.49Å; P306-K310 VanDerWaalsContact O-N 3.08Å; A308-K310 VanDerWaalsContact C-N 3.3Å; A308-K310 PolarHBondContact O-N 3.46Å; K310-K314 HydrophobicContact CG-CD 4.4Å; K310-K314 WeakPolarHBondContact O-CD 3.48Å; K310-K314 WeakPolarHBondContact O-CG 3.15Å; K310-K314 PolarHBondContact O-N 3.15Å; K310-S343 WeakPolarHBondContact CE-OG 3.42Å; K310-S343 PolarHBondContact NZ-OG 2.89Å
311H88.1Confident90.5Very high49 Ų4941.2 Ų41.223%0.22720%0.2CC..Hα-helixtrans-75.5-54177.3174.768.5000110.8H235 K307 A308 C309 W313 K314 C315H235-H311 AromaticContact CE1-CD2 3.7Å; H235-H311 AromaticContact CE1-NE2 3.89Å; K307-H311 WeakPolarHBondContact O-CB 3.41Å; K307-H311 PolarHBondContact O-N 3.14Å; A308-H311 CarbonylContact O-C 3.5Å; A308-H311 WeakPolarHBondContact O-CA 3.22Å; A308-H311 WeakPolarHBondContact O-CB 3.37Å; A308-H311 PolarHBondContact O-N 3.2Å; C309-H311 VanDerWaalsContact C-N 3.31Å; C309-H311 PolarHBondContact O-N 2.96Å; H311-W313 VanDerWaalsContact C-N 3.34Å; H311-W313 PolarHBondContact O-N 3.21Å; H311-K314 WeakPolarHBondContact O-CA 3.09Å; H311-K314 WeakPolarHBondContact O-CB 3.07Å; H311-K314 PolarHBondContact O-N 3.3Å; H311-C315 PolarHBondContact CE1-SG 3.01Å; H311-C315 PolarHBondContact O-N 2.78Å; H311-C315 PolarHBondContact O-SG 3.03Å
312L92Very high90.1Very high2 Ų240.6 Ų40.61%0.0120%0.197CC..Hα-helixtrans-52-49.7172.616955.8000111.6H235 V237 L247 L249 L281 M303 A308 K314 C315 A316H235-L312 HydrophobicContact CB-CD1 3.98Å; H235-L312 HydrophobicContact CB-CD2 3.9Å; H235-L312 HydrophobicContact CB-CG 4.35Å; V237-L312 HydrophobicContact CG1-CD2 3.86Å; L247-L312 HydrophobicContact CD1-CD2 4.33Å; L249-L312 HydrophobicContact CD1-CD1 4.14Å; L249-L312 HydrophobicContact CD2-CD1 3.95Å; L249-L312 HydrophobicContact CG-CD1 4.2Å; L281-L312 HydrophobicContact CD2-CD2 3.81Å; L281-L312 HydrophobicContact CD2-CG 4.14Å; M303-L312 HydrophobicContact CE-CB 4.43Å; M303-L312 HydrophobicContact CE-CD2 4.08Å; M303-L312 HydrophobicContact SD-CB 4.12Å; M303-L312 HydrophobicContact SD-CD2 3.71Å; A308-L312 PolarHBondContact O-N 3.2Å; L312-K314 VanDerWaalsContact C-N 3.29Å; L312-K314 PolarHBondContact O-N 2.96Å; L312-C315 PolarHBondContact O-N 2.96Å; L312-A316 WeakPolarHBondContact O-CB 3.45Å; L312-A316 PolarHBondContact O-N 2.91Å
313W92.9Very high89.7Confident1 Ų135.7 Ų35.70%0.00418%0.18CC..Hα-helixtrans-56.7-41.1175.6175.283.9000112.4L274 F276 L281 C309 H311 V317 S343 F345 N676 I678L274-W313 PolarHBondContact O-NE1 3.07Å; F276-W313 HydrophobicContact CB-CB 4.03Å; F276-W313 HydrophobicContact CB-CG 3.91Å; F276-W313 HydrophobicContact CD1-CB 4.15Å; F276-W313 AromaticContact CD1-CD1 3.97Å; F276-W313 AromaticContact CD1-CD2 3.34Å; F276-W313 HydrophobicContact CD1-CD2 3.34Å; F276-W313 AromaticContact CD1-CE2 3.74Å; F276-W313 AromaticContact CD1-CE3 3.6Å; F276-W313 HydrophobicContact CD1-CE3 3.6Å; F276-W313 AromaticContact CD1-CG 3.56Å; F276-W313 HydrophobicContact CD1-CG 3.56Å; F276-W313 HydrophobicContact CD1-CZ2 4.34Å; F276-W313 HydrophobicContact CD1-CZ3 4.21Å; F276-W313 AromaticContact CE1-CD2 3.84Å; F276-W313 HydrophobicContact CE1-CD2 3.84Å; F276-W313 AromaticContact CE1-CE3 3.57Å; F276-W313 HydrophobicContact CE1-CE3 3.57Å; F276-W313 HydrophobicContact CE1-CG 4.44Å; F276-W313 HydrophobicContact CE1-CH2 4.3Å; F276-W313 AromaticContact CE1-CZ3 3.83Å; F276-W313 HydrophobicContact CE1-CZ3 3.83Å; F276-W313 HydrophobicContact CG-CB 4.18Å; F276-W313 HydrophobicContact CG-CD2 4.23Å; F276-W313 AromaticContact CG-CG 3.99Å; F276-W313 HydrophobicContact CG-CG 3.99Å; L281-W313 HydrophobicContact CD1-CB 3.79Å; L281-W313 HydrophobicContact CD1-CG 4.34Å; C309-W313 VanDerWaalsContact O-CB 3.26Å; C309-W313 WeakPolarHBondContact O-CB 3.15Å; C309-W313 PolarHBondContact O-N 2.92Å; H311-W313 VanDerWaalsContact C-N 3.34Å; H311-W313 PolarHBondContact O-N 3.21Å; W313-V317 HydrophobicContact CD2-CG2 4.32Å; W313-V317 HydrophobicContact CZ2-CG2 4.17Å; W313-V317 WeakPolarHBondContact O-CB 3.34Å; W313-V317 WeakPolarHBondContact O-CG2 3.4Å; W313-V317 PolarHBondContact O-N 3.06Å; W313-S343 WeakPolarHBondContact CH2-O 3.35Å; W313-F345 HydrophobicContact CH2-CB 3.99Å; W313-F345 HydrophobicContact CZ3-CB 3.83Å; W313-F345 HydrophobicContact CZ3-CD1 4.27Å; W313-F345 HydrophobicContact CZ3-CG 4.48Å; W313-N676 HydrophobicContact CZ2-CB 4.42Å; W313-N676 WeakPolarHBondContact CZ2-O 3.39Å; W313-I678 HydrophobicContact CH2-CD1 4.23Å; W313-I678 HydrophobicContact CZ2-CD1 3.76Å; W313-I678 HydrophobicContact CZ2-CG1 4.07Å
314K90.1Very high89.1Confident39 Ų3938.3 Ų38.317%0.1719%0.188CC..Hα-helixtrans-64.7-51.7174.6-75.7169.4100.8-60.30111.2K310 H311 L312 A316 V317 E318 F345K310-K314 HydrophobicContact CG-CD 4.4Å; K310-K314 WeakPolarHBondContact O-CD 3.48Å; K310-K314 WeakPolarHBondContact O-CG 3.15Å; K310-K314 PolarHBondContact O-N 3.15Å; H311-K314 WeakPolarHBondContact O-CA 3.09Å; H311-K314 WeakPolarHBondContact O-CB 3.07Å; H311-K314 PolarHBondContact O-N 3.3Å; L312-K314 VanDerWaalsContact C-N 3.29Å; L312-K314 PolarHBondContact O-N 2.96Å; K314-A316 VanDerWaalsContact C-N 3.31Å; K314-A316 PolarHBondContact O-N 3.15Å; K314-V317 PolarHBondContact O-N 2.95Å; K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 2.77Å; K314-F345 HydrophobicContact CB-CD1 4.18Å; K314-F345 HydrophobicContact CB-CE1 4.01Å; K314-F345 HydrophobicContact CG-CD1 3.74Å; K314-F345 HydrophobicContact CG-CE1 4.05Å; K314-F345 HydrophobicContact CG-CG 4.07Å; K314-F345 VanDerWaalsContact NZ-CD2 3.32Å; K314-F345 VanDerWaalsContact NZ-CZ 3.32Å
315C90.9Very high88.5Confident3 Ų334 Ų342%0.0217%0.165CC..Hα-helixtrans-57.5-45.1-177.9-65.30000111.3L249 H311 L312 E318 H319L249-C315 HydrophobicContact CD1-CB 3.43Å; L249-C315 VanDerWaalsContact CD1-CB 3.43Å; H311-C315 PolarHBondContact CE1-SG 3.01Å; H311-C315 PolarHBondContact O-N 2.78Å; H311-C315 PolarHBondContact O-SG 3.03Å; L312-C315 PolarHBondContact O-N 2.96Å; C315-E318 WeakPolarHBondContact O-CB 3.42Å; C315-E318 PolarHBondContact O-N 3.09Å; C315-E318 VanDerWaalsContact O-N 3.16Å; C315-H319 PolarHBondContact O-N 3.2Å; C315-H319 PolarHBondContact O-ND1 3.04Å
316A92.5Very high87.5Confident5 Ų537.2 Ų37.24%0.04117%0.174CC..Hα-helixtrans-65.3-38.9177.200000113.1L249 W268 L274 L312 K314 E318 H319 H320L249-A316 HydrophobicContact CD1-CB 4.11Å; L249-A316 HydrophobicContact CD2-CB 3.72Å; W268-A316 HydrophobicContact CH2-CB 4.41Å; L274-A316 HydrophobicContact CD2-CB 3.44Å; L274-A316 VanDerWaalsContact CD2-CB 3.44Å; L312-A316 WeakPolarHBondContact O-CB 3.45Å; L312-A316 PolarHBondContact O-N 2.91Å; K314-A316 VanDerWaalsContact C-N 3.31Å; K314-A316 PolarHBondContact O-N 3.15Å; A316-E318 VanDerWaalsContact C-N 3.31Å; A316-E318 PolarHBondContact O-N 2.81Å; A316-H319 PolarHBondContact O-N 3.04Å; A316-H320 VanDerWaalsContact O-CB 3.32Å; A316-H320 WeakPolarHBondContact O-CB 3.43Å; A316-H320 PolarHBondContact O-N 2.96Å
317V90.1Very high86Confident5 Ų535.1 Ų35.13%0.0316%0.164CC..Hα-helixtrans-64.6-34171.5166.40000112L274 W313 K314 A321 F345 I678 F680L274-V317 HydrophobicContact CD2-CG2 4.17Å; W313-V317 HydrophobicContact CD2-CG2 4.32Å; W313-V317 HydrophobicContact CZ2-CG2 4.17Å; W313-V317 WeakPolarHBondContact O-CB 3.34Å; W313-V317 WeakPolarHBondContact O-CG2 3.4Å; W313-V317 PolarHBondContact O-N 3.06Å; K314-V317 PolarHBondContact O-N 2.95Å; V317-A321 WeakPolarHBondContact O-CB 3.17Å; V317-A321 PolarHBondContact O-N 3.44Å; V317-F345 HydrophobicContact CG1-CD1 4.14Å; V317-F345 HydrophobicContact CG1-CE1 4.18Å; V317-I678 HydrophobicContact CB-CD1 4.43Å; V317-I678 HydrophobicContact CG1-CD1 3.62Å; V317-I678 HydrophobicContact CG2-CD1 3.85Å; V317-F680 HydrophobicContact CG2-CZ 4.47Å
318E90.8Very high84.5Confident28 Ų2830.8 Ų30.813%0.13115%0.151CC..Hα-helixtrans-70.4-43.9174.5-65.3-171112.600112.1K121 F122 K314 C315 A316 A321 F322 F345 Y347K121-E318 WeakPolarHBondContact CE-OE2 3.32Å; K121-E318 IonicContact NZ-OE1 3.21Å; K121-E318 PolarHBondContact NZ-OE1 3.14Å; K121-E318 IonicContact NZ-OE2 2.71Å; K121-E318 PolarHBondContact NZ-OE2 3.13Å; F122-E318 HydrophobicContact CE1-CB 4.11Å; F122-E318 HydrophobicContact CZ-CB 4.02Å; K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 2.77Å; C315-E318 WeakPolarHBondContact O-CB 3.42Å; C315-E318 PolarHBondContact O-N 3.09Å; C315-E318 VanDerWaalsContact O-N 3.16Å; A316-E318 VanDerWaalsContact C-N 3.31Å; A316-E318 PolarHBondContact O-N 2.81Å; E318-A321 PolarHBondContact O-N 3.13Å; E318-F322 VanDerWaalsContact O-CB 3.3Å; E318-F322 WeakPolarHBondContact O-CB 3.4Å; E318-F322 PolarHBondContact O-N 3.46Å; E318-F345 HydrophobicContact CG-CE1 3.65Å; E318-F345 HydrophobicContact CG-CZ 3.57Å; E318-Y347 HydrophobicContact CB-CD2 3.95Å; E318-Y347 HydrophobicContact CB-CE2 4.48Å; E318-Y347 HydrophobicContact CG-CD2 3.97Å
319H90.6Very high82.9Confident7 Ų731.6 Ų31.63%0.03215%0.152CC..Hα-helixtrans-64.1-52.4177.8-74.768000111.4F122 W268 C315 A316 A321 F322 F323F122-H319 AromaticContact CE1-ND1 3.87Å; W268-H319 HydrophobicContact CH2-CB 3.94Å; W268-H319 HydrophobicContact CZ2-CB 3.45Å; W268-H319 VanDerWaalsContact CZ2-CB 3.45Å; C315-H319 PolarHBondContact O-N 3.2Å; C315-H319 PolarHBondContact O-ND1 3.04Å; A316-H319 PolarHBondContact O-N 3.04Å; H319-A321 VanDerWaalsContact C-N 3.27Å; H319-A321 PolarHBondContact O-N 2.89Å; H319-F322 PolarHBondContact O-N 2.73Å; H319-F322 VanDerWaalsContact O-N 3.07Å; H319-F323 HydrophobicContact CB-CD2 4.3Å; H319-F323 HydrophobicContact CB-CE2 4.36Å; H319-F323 AromaticContact CD2-CE2 3.89Å; H319-F323 WeakPolarHBondContact O-CD2 3.32Å; H319-F323 PolarHBondContact O-N 3.31Å
320H88.3Confident80.9Confident2 Ų238.3 Ų38.31%0.00918%0.184CC..Hα-helixtrans-51.5-48.6175.6-179.8-70.4000111.2W268 A316 F322 R324 F680W268-H320 HydrophobicContact CD2-CB 4.27Å; W268-H320 HydrophobicContact CE3-CB 3.69Å; W268-H320 AromaticContact CE3-CD2 3.87Å; W268-H320 HydrophobicContact CZ3-CB 3.95Å; A316-H320 VanDerWaalsContact O-CB 3.32Å; A316-H320 WeakPolarHBondContact O-CB 3.43Å; A316-H320 PolarHBondContact O-N 2.96Å; H320-F322 PolarHBondContact O-N 3.22Å; H320-R324 PolarHBondContact NE2-NH1 2.99Å; H320-R324 VanDerWaalsContact O-CB 3.23Å; H320-R324 WeakPolarHBondContact O-CB 3.19Å; H320-R324 PolarHBondContact O-N 2.99Å; H320-F680 HydrophobicContact CB-CZ 4.38Å; H320-F680 AromaticContact CD2-CD2 3.78Å; H320-F680 AromaticContact CD2-CE2 3.73Å; H320-F680 AromaticContact CD2-CZ 3.95Å; H320-F680 AromaticContact CE1-CD1 3.12Å; H320-F680 WeakPolarHBondContact CE1-CD1 3.38Å; H320-F680 AromaticContact CE1-CD2 3.77Å; H320-F680 AromaticContact CE1-CE1 3.55Å; H320-F680 AromaticContact CE1-CG 3.22Å; H320-F680 WeakPolarHBondContact CE1-CG 3.39Å; H320-F680 AromaticContact CG-CE1 3.92Å; H320-F680 AromaticContact CG-CZ 3.86Å; H320-F680 AromaticContact ND1-CD1 3.56Å; H320-F680 AromaticContact ND1-CE1 3.49Å; H320-F680 WeakPolarHBondContact ND1-CE1 3.35Å; H320-F680 AromaticContact ND1-CZ 3.94Å; H320-F680 AromaticContact NE2-CD1 3.6Å; H320-F680 AromaticContact NE2-CD2 3.31Å; H320-F680 VanDerWaalsContact NE2-CD2 3.31Å; H320-F680 WeakPolarHBondContact NE2-CD2 3.38Å; H320-F680 AromaticContact NE2-CE1 3.99Å; H320-F680 AromaticContact NE2-CE2 3.74Å; H320-F680 AromaticContact NE2-CG 3.22Å; H320-F680 WeakPolarHBondContact NE2-CG 3.44Å
321A85.9Confident78.7Confident5 Ų544.2 Ų44.24%0.04121%0.209CC..Hα-helixtrans-66.1-36.4179.500000113.5V317 E318 H319 L325 Y347 T351V317-A321 WeakPolarHBondContact O-CB 3.17Å; V317-A321 PolarHBondContact O-N 3.44Å; E318-A321 PolarHBondContact O-N 3.13Å; H319-A321 VanDerWaalsContact C-N 3.27Å; H319-A321 PolarHBondContact O-N 2.89Å; A321-L325 HydrophobicContact CB-CD1 3.89Å; A321-L325 WeakPolarHBondContact O-CB 3.42Å; A321-Y347 HydrophobicContact CB-CD1 3.95Å; A321-Y347 HydrophobicContact CB-CG 3.78Å; A321-T351 WeakPolarHBondContact O-CG2 3.37Å
322F86.3Confident76.4Confident0 Ų047.8 Ų47.80%023%0.23CC..Hα-helixtrans-70.7-47-179.3-177.1-100.8000112.5D82 Y83 F122 E318 H319 H320 Y347 K350 T351 E352D82-F322 HydrophobicContact CB-CE2 4.26Å; Y83-F322 AromaticContact CD1-CE1 3.85Å; Y83-F322 HydrophobicContact CD1-CE1 3.85Å; Y83-F322 AromaticContact CD1-CZ 3.55Å; Y83-F322 HydrophobicContact CD1-CZ 3.55Å; Y83-F322 AromaticContact CE1-CE1 3.79Å; Y83-F322 HydrophobicContact CE1-CE1 3.79Å; Y83-F322 AromaticContact CE1-CZ 3.61Å; Y83-F322 HydrophobicContact CE1-CZ 3.61Å; Y83-F322 HydrophobicContact CG-CZ 4.3Å; F122-F322 HydrophobicContact CB-CD1 3.64Å; F122-F322 HydrophobicContact CB-CE1 3.51Å; F122-F322 HydrophobicContact CB-CG 4.31Å; F122-F322 HydrophobicContact CB-CZ 4.09Å; F122-F322 HydrophobicContact CD1-CB 4.23Å; F122-F322 HydrophobicContact CD1-CD1 4.13Å; F122-F322 HydrophobicContact CD1-CG 4.19Å; F122-F322 HydrophobicContact CD2-CD1 4.12Å; F122-F322 AromaticContact CD2-CD2 3.91Å; F122-F322 HydrophobicContact CD2-CD2 3.91Å; F122-F322 HydrophobicContact CD2-CE1 4.26Å; F122-F322 HydrophobicContact CD2-CE2 4.06Å; F122-F322 AromaticContact CD2-CG 3.93Å; F122-F322 HydrophobicContact CD2-CG 3.93Å; F122-F322 HydrophobicContact CD2-CZ 4.24Å; F122-F322 HydrophobicContact CE1-CB 4.19Å; F122-F322 HydrophobicContact CE1-CG 4.49Å; F122-F322 HydrophobicContact CE2-CD2 4.14Å; F122-F322 HydrophobicContact CE2-CG 4.27Å; F122-F322 HydrophobicContact CG-CB 4.42Å; F122-F322 AromaticContact CG-CD1 3.7Å; F122-F322 HydrophobicContact CG-CD1 3.7Å; F122-F322 HydrophobicContact CG-CD2 4.32Å; F122-F322 AromaticContact CG-CE1 3.98Å; F122-F322 HydrophobicContact CG-CE1 3.98Å; F122-F322 AromaticContact CG-CG 3.88Å; F122-F322 HydrophobicContact CG-CG 3.88Å; F122-F322 HydrophobicContact CG-CZ 4.41Å; F122-F322 HydrophobicContact CZ-CB 4.34Å; E318-F322 VanDerWaalsContact O-CB 3.3Å; E318-F322 WeakPolarHBondContact O-CB 3.4Å; E318-F322 PolarHBondContact O-N 3.46Å; H319-F322 PolarHBondContact O-N 2.73Å; H319-F322 VanDerWaalsContact O-N 3.07Å; H320-F322 PolarHBondContact O-N 3.22Å; F322-Y347 HydrophobicContact CD2-CE1 4.47Å; F322-Y347 WeakPolarHBondContact CD2-OH 3.4Å; F322-K350 VanDerWaalsContact CD2-O 3.3Å; F322-K350 WeakPolarHBondContact CD2-O 3.26Å; F322-K350 WeakPolarHBondContact CE2-O 3.26Å; F322-T351 WeakPolarHBondContact O-CB 3.44Å; F322-E352 HydrophobicContact CD1-CB 4.21Å; F322-E352 HydrophobicContact CE1-CB 3.74Å; F322-E352 HydrophobicContact CE1-CG 4.37Å; F322-E352 HydrophobicContact CZ-CB 3.92Å; F322-E352 PolarHBondContact O-N 2.85Å
323F85Confident74.2Confident34 Ų3451.3 Ų51.315%0.14926%0.255CS..Hα-helixtrans-86.3-37.2-174.5-64.6-69.8000113.6F122 Y123 P251 W268 H319 E352F122-F323 HydrophobicContact CB-CE2 4.3Å; F122-F323 HydrophobicContact CB-CZ 3.81Å; F122-F323 HydrophobicContact CD1-CE2 4.18Å; Y123-F323 VanDerWaalsContact O-CE1 3.23Å; Y123-F323 WeakPolarHBondContact O-CE1 3.41Å; Y123-F323 WeakPolarHBondContact O-CZ 3.33Å; P251-F323 HydrophobicContact CB-CE1 3.98Å; P251-F323 HydrophobicContact CB-CE2 4.39Å; P251-F323 HydrophobicContact CB-CZ 3.91Å; P251-F323 HydrophobicContact CG-CZ 4.43Å; P251-F323 WeakPolarHBondContact O-CD2 3.47Å; P251-F323 WeakPolarHBondContact O-CG 3.37Å; W268-F323 AromaticContact NE1-CD2 3.97Å; H319-F323 HydrophobicContact CB-CD2 4.3Å; H319-F323 HydrophobicContact CB-CE2 4.36Å; H319-F323 AromaticContact CD2-CE2 3.89Å; H319-F323 WeakPolarHBondContact O-CD2 3.32Å; H319-F323 PolarHBondContact O-N 3.31Å; F323-E352 WeakPolarHBondContact CD1-OE2 3.42Å
324R80.6Confident71.9Confident73 Ų7356 Ų5628%0.27529%0.293SS..Hα-helixtrans-88.4-33.3-174-178.3171.6162.1178.5-4114.5W268 P269 I271 H320 F680W268-R324 HydrophobicContact CB-CB 4.46Å; W268-R324 WeakPolarHBondContact O-CD 3.42Å; W268-R324 PolarHBondContact O-NH1 3.43Å; P269-R324 PolarHBondContact O-NH1 3.2Å; I271-R324 PolarHBondContact O-NH1 2.88Å; H320-R324 PolarHBondContact NE2-NH1 2.99Å; H320-R324 VanDerWaalsContact O-CB 3.23Å; H320-R324 WeakPolarHBondContact O-CB 3.19Å; H320-R324 PolarHBondContact O-N 2.99Å; R324-F680 PolarHBondContact NH2-O 2.91Å
325L76.8Confident69.7Low46 Ų4665.8 Ų65.824%0.24133%0.33CS..  trans-89.3138.2-168.6-55.7177.7000112.1A321 G327 V329 T351A321-L325 HydrophobicContact CB-CD1 3.89Å; A321-L325 WeakPolarHBondContact O-CB 3.42Å; L325-G327 WeakPolarHBondContact CB-O 3.04Å; L325-G327 PolarHBondContact O-N 2.91Å; L325-V329 HydrophobicContact CD1-CG2 3.43Å; L325-V329 VanDerWaalsContact CD1-CG2 3.43Å; L325-T351 HydrophobicContact CB-CG2 4.13Å; L325-T351 WeakPolarHBondContact O-CB 3.26Å; L325-T351 WeakPolarHBondContact O-CG2 3.25Å; L325-T351 PolarHBondContact O-OG1 3.46Å
326R68Low67.6Low157 Ų15770.3 Ų70.359%0.59236%0.361SS*.SBendtrans-79.89.4175.7-64.5-173.1177.5100.30.2114Y353R326-Y353 HydrophobicContact CB-CD1 3.57Å; R326-Y353 HydrophobicContact CB-CE1 3.73Å; R326-Y353 HydrophobicContact CB-CG 4.04Å; R326-Y353 HydrophobicContact CG-CD1 3.89Å; R326-Y353 HydrophobicContact CG-CD2 4Å; R326-Y353 HydrophobicContact CG-CE1 4.04Å; R326-Y353 HydrophobicContact CG-CE2 4.14Å; R326-Y353 HydrophobicContact CG-CG 3.87Å; R326-Y353 WeakPolarHBondContact O-CD1 3.21Å
327G58.5Low65.3Low18 Ų1873.8 Ų73.819%0.18640%0.398CS..SBendtrans174.2171.5174.100000111.2L325 T351L325-G327 WeakPolarHBondContact CB-O 3.04Å; L325-G327 PolarHBondContact O-N 2.91Å; G327-T351 PolarHBondContact N-OG1 2.87Å
328P56.7Low63.2Low59 Ų5982.4 Ų82.438%0.38344%0.435SS..SBendtrans-63.2139.9-179.728.7-36.5000110Q330 Q354P328-Q330 PolarHBondContact O-N 3.37Å; P328-Q354 VanDerWaalsContact CD-NE2 3.32Å; P328-Q354 VanDerWaalsContact CD-OE1 3.26Å
329V54.7Low61.1Low50 Ų5088.8 Ų88.830%0.30347%0.468SS..PPolyproline II helixtrans-48.8116.1176.5-175.80000108.9L325 K331L325-V329 HydrophobicContact CD1-CG2 3.43Å; L325-V329 VanDerWaalsContact CD1-CG2 3.43Å; V329-K331 PolarHBondContact O-N 3.38Å
330Q48.9Very low59Low142 Ų14295.1 Ų95.166%0.66449%0.492SS*.PPolyproline II helixtrans-53.1142.4-169.2-75.2-169.5-7.900111.5P328 N332 R346P328-Q330 PolarHBondContact O-N 3.37Å; Q330-N332 PolarHBondContact O-N 3.27Å; Q330-N332 PolarHBondContact OE1-OD1 3.06Å; Q330-R346 PolarHBondContact O-NH1 2.8Å
331K45.3Very low57Low204 Ų204102.9 Ų102.989%0.88753%0.53SS*.  trans-74.358174.2-67.4178.9-177.7170.50110.4V329 S333V329-K331 PolarHBondContact O-N 3.38Å; K331-S333 PolarHBondContact O-N 2.86Å
332N40Very low55.3Low124 Ų124103.8 Ų103.866%0.66354%0.54SS*.  trans-6877.1171.3-740.5000108.8Q330Q330-N332 PolarHBondContact O-N 3.27Å; Q330-N332 PolarHBondContact OE1-OD1 3.06Å
333S46.1Very low53.7Low75 Ų75104.7 Ų104.752%0.52455%0.546SS..  trans-128.233.9-171.4-160.60000111.2K331 R344K331-S333 PolarHBondContact O-N 2.86Å; S333-R344 PolarHBondContact OG-NH2 2.82Å
334A42.9Very low52.5Low99 Ų99111.4 Ų111.482%0.81857%0.571SS**SBendtrans-99.5-15.4171.900000113.4
335R45.6Very low51.9Low246 Ų246109.6 Ų109.693%0.92857%0.565SS**SBendtrans-140.769.7-177.4-77.5-170.2-94.5152.8-7.8113.6
336S45.5Very low51.7Low98 Ų98112.6 Ų112.669%0.68557%0.573SS**  trans-175.2107.6142.2-173.70000109.5
337G45.3Very low52Low78 Ų78106 Ų10680%0.80455%0.548SS*.  trans-100.115.2-175.900000114.9
338F44.8Very low52.1Low186 Ų186109.5 Ų109.582%0.81657%0.569SS**SBendtrans-101.9146.8-175-69.9-78.8000112.9R340F338-R340 VanDerWaalsContact C-N 3.33Å; F338-R340 PolarHBondContact O-N 3.37Å
339I48Very low52.9Low161 Ų161108 Ų10883%0.82656%0.564SS**  trans-76.778.7-172.2-51.5176.6000110.4M341I339-M341 PolarHBondContact O-N 2.84Å
340R45.7Very low54Low141 Ų141109 Ų10953%0.53257%0.565SS.*  trans-71.9114.2170.6-172.3172.4-178.4146.9-3.6109F338 G342 S674F338-R340 VanDerWaalsContact C-N 3.33Å; F338-R340 PolarHBondContact O-N 3.37Å; R340-G342 PolarHBondContact O-N 2.87Å; R340-S674 PolarHBondContact NH2-O 2.8Å
341M45.5Very low55.7Low164 Ų164102.2 Ų102.281%0.80853%0.533SS*.  trans-7745.8-175.1-164162.7-75.700113.1I339I339-M341 PolarHBondContact O-N 2.84Å
342G50.7Low57.5Low25 Ų2593.2 Ų93.226%0.25849%0.494SS..SBendtrans-120.9165-174.300000113.8R340 R344R340-G342 PolarHBondContact O-N 2.87Å; G342-R344 PolarHBondContact O-N 3.47Å
343S52.8Low59.4Low18 Ų1891.6 Ų91.613%0.12648%0.48CS..  trans-80.977178.7-1710000111.2K310 W313 F345 N676K310-S343 WeakPolarHBondContact CE-OG 3.42Å; K310-S343 PolarHBondContact NZ-OG 2.89Å; W313-S343 WeakPolarHBondContact CH2-O 3.35Å; S343-F345 PolarHBondContact O-N 3.04Å; S343-N676 WeakPolarHBondContact CA-OD1 3.32Å; S343-N676 WeakPolarHBondContact CB-OD1 3.35Å; S343-N676 PolarHBondContact N-OD1 2.63Å
344R60.8Low61Low176 Ų17690.9 Ų90.966%0.66447%0.468SS*.  trans-66.946173.8-164.1-170.3175.3-174.5-2.3113S333 G342S333-R344 PolarHBondContact OG-NH2 2.82Å; G342-R344 PolarHBondContact O-N 3.47Å
345F67.6Low62.8Low34 Ų3486.4 Ų86.415%0.14943%0.43CS..  trans-71.9137.6170.5179.2-106.8000109.1W313 K314 V317 E318 S343W313-F345 HydrophobicContact CH2-CB 3.99Å; W313-F345 HydrophobicContact CZ3-CB 3.83Å; W313-F345 HydrophobicContact CZ3-CD1 4.27Å; W313-F345 HydrophobicContact CZ3-CG 4.48Å; K314-F345 HydrophobicContact CB-CD1 4.18Å; K314-F345 HydrophobicContact CB-CE1 4.01Å; K314-F345 HydrophobicContact CG-CD1 3.74Å; K314-F345 HydrophobicContact CG-CE1 4.05Å; K314-F345 HydrophobicContact CG-CG 4.07Å; K314-F345 VanDerWaalsContact NZ-CD2 3.32Å; K314-F345 VanDerWaalsContact NZ-CZ 3.32Å; V317-F345 HydrophobicContact CG1-CD1 4.14Å; V317-F345 HydrophobicContact CG1-CE1 4.18Å; E318-F345 HydrophobicContact CG-CE1 3.65Å; E318-F345 HydrophobicContact CG-CZ 3.57Å; S343-F345 PolarHBondContact O-N 3.04Å
346R71.8Confident64.5Low109 Ų10975.9 Ų75.941%0.41139%0.394SS..  trans-141.6148.3170.8-69.1-172.3169.7-160.5-10.2107.2Q330Q330-R346 PolarHBondContact O-NH1 2.8Å
347Y75.3Confident65.9Low20 Ų2078.1 Ų78.18%0.07839%0.391CS..  trans-59.8147.9169.3-175-107.5000110.5F122 E318 A321 F322 G349 K350 T351F122-Y347 HydrophobicContact CE2-CE2 4.12Å; F122-Y347 AromaticContact CZ-CE2 3.91Å; F122-Y347 HydrophobicContact CZ-CE2 3.91Å; E318-Y347 HydrophobicContact CB-CD2 3.95Å; E318-Y347 HydrophobicContact CB-CE2 4.48Å; E318-Y347 HydrophobicContact CG-CD2 3.97Å; A321-Y347 HydrophobicContact CB-CD1 3.95Å; A321-Y347 HydrophobicContact CB-CG 3.78Å; F322-Y347 HydrophobicContact CD2-CE1 4.47Å; F322-Y347 WeakPolarHBondContact CD2-OH 3.4Å; Y347-G349 VanDerWaalsContact CE1-C 3.47Å; Y347-G349 VanDerWaalsContact CE1-O 3.29Å; Y347-G349 WeakPolarHBondContact CE1-O 3.38Å; Y347-K350 PolarHBondContact OH-O 3.18Å; Y347-T351 HydrophobicContact CE1-CG2 4.45Å
348S59.6Low67Low90 Ų9077.6 Ų77.663%0.62938%0.379SS*.  trans-145.42.9-171.350.60000115.8
349G73.3Confident67.8Low27 Ų2769.5 Ų69.528%0.27835%0.346SS..SBendtrans-82.3-170.616500000111.9Y347Y347-G349 VanDerWaalsContact CE1-C 3.47Å; Y347-G349 VanDerWaalsContact CE1-O 3.29Å; Y347-G349 WeakPolarHBondContact CE1-O 3.38Å
350K79.4Confident68.5Low71 Ų7171.1 Ų71.131%0.30935%0.347SS..  trans-80.3147.6169-51.7-164.9-142.391.80110.3D82 F322 Y347 Q354D82-K350 HydrophobicContact CB-CB 4.44Å; D82-K350 WeakPolarHBondContact OD1-CB 3.21Å; D82-K350 PolarHBondContact OD1-N 3.48Å; D82-K350 IonicContact OD2-NZ 3.67Å; D82-K350 PolarHBondContact OD2-NZ 3.35Å; F322-K350 VanDerWaalsContact CD2-O 3.3Å; F322-K350 WeakPolarHBondContact CD2-O 3.26Å; F322-K350 WeakPolarHBondContact CE2-O 3.26Å; Y347-K350 PolarHBondContact OH-O 3.18Å; K350-Q354 HydrophobicContact CB-CB 4.06Å
351T83.1Confident69.1Low0 Ų070.3 Ų70.30%036%0.357CS..  trans-83.2162.4173.370.50000110.5A321 F322 L325 G327 Y347 Y353 Q354 T355A321-T351 WeakPolarHBondContact O-CG2 3.37Å; F322-T351 WeakPolarHBondContact O-CB 3.44Å; L325-T351 HydrophobicContact CB-CG2 4.13Å; L325-T351 WeakPolarHBondContact O-CB 3.26Å; L325-T351 WeakPolarHBondContact O-CG2 3.25Å; L325-T351 PolarHBondContact O-OG1 3.46Å; G327-T351 PolarHBondContact N-OG1 2.87Å; Y347-T351 HydrophobicContact CE1-CG2 4.45Å; T351-Y353 VanDerWaalsContact C-N 3.28Å; T351-Y353 PolarHBondContact O-N 2.84Å; T351-Q354 CarbonylContact O-C 3.48Å; T351-Q354 WeakPolarHBondContact O-CA 3.47Å; T351-Q354 WeakPolarHBondContact O-CB 3.38Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-T355 PolarHBondContact O-N 3.33Å; T351-T355 PolarHBondContact O-OG1 2.76Å
352E83.6Confident70.2Confident15 Ų1566.7 Ų66.77%0.0734%0.335CS..Hα-helixtrans-56.6-42.8-178-175.8167.7-13400112.2Y83 S124 F322 F323 Q354 T355 T356Y83-E352 HydrophobicContact CE1-CG 4.27Å; Y83-E352 WeakPolarHBondContact CE1-OE1 3.32Å; Y83-E352 PolarHBondContact OH-OE1 3.21Å; S124-E352 VanDerWaalsContact CB-OE1 3.25Å; S124-E352 WeakPolarHBondContact CB-OE1 3.42Å; S124-E352 PolarHBondContact OG-OE1 2.63Å; F322-E352 HydrophobicContact CD1-CB 4.21Å; F322-E352 HydrophobicContact CE1-CB 3.74Å; F322-E352 HydrophobicContact CE1-CG 4.37Å; F322-E352 HydrophobicContact CZ-CB 3.92Å; F322-E352 PolarHBondContact O-N 2.85Å; F323-E352 WeakPolarHBondContact CD1-OE2 3.42Å; E352-Q354 PolarHBondContact O-N 2.84Å; E352-T355 PolarHBondContact O-N 2.82Å; E352-T355 VanDerWaalsContact O-N 3.13Å; E352-T356 HydrophobicContact CG-CG2 4.47Å; E352-T356 WeakPolarHBondContact O-CG2 3.25Å; E352-T356 PolarHBondContact O-N 2.96Å; E352-T356 PolarHBondContact O-OG1 2.91Å
353Y79.8Confident71Confident91 Ų9176.9 Ų76.936%0.35737%0.365SS..Hα-helixtrans-57.9-28.2173.3180-89.6000113.5R326 T351 T356 K357R326-Y353 HydrophobicContact CB-CD1 3.57Å; R326-Y353 HydrophobicContact CB-CE1 3.73Å; R326-Y353 HydrophobicContact CB-CG 4.04Å; R326-Y353 HydrophobicContact CG-CD1 3.89Å; R326-Y353 HydrophobicContact CG-CD2 4Å; R326-Y353 HydrophobicContact CG-CE1 4.04Å; R326-Y353 HydrophobicContact CG-CE2 4.14Å; R326-Y353 HydrophobicContact CG-CG 3.87Å; R326-Y353 WeakPolarHBondContact O-CD1 3.21Å; T351-Y353 VanDerWaalsContact C-N 3.28Å; T351-Y353 PolarHBondContact O-N 2.84Å; Y353-T356 WeakPolarHBondContact CA-OG1 3.49Å; Y353-T356 PolarHBondContact O-OG1 3.25Å; Y353-K357 HydrophobicContact CD2-CD 4.47Å; Y353-K357 HydrophobicContact CE1-CD 4.01Å; Y353-K357 HydrophobicContact CE2-CD 3.9Å; Y353-K357 VanDerWaalsContact CE2-CE 3.47Å; Y353-K357 WeakPolarHBondContact O-CB 3.4Å; Y353-K357 WeakPolarHBondContact O-CG 3.34Å; Y353-K357 PolarHBondContact O-N 3.44Å; Y353-K357 PolarHBondContact OH-NZ 3.05Å
354Q80.9Confident71.5Confident60 Ų6081 Ų8128%0.2839%0.394SS..Hα-helixtrans-86.4-37.7173.3-70.7-169.5-40.700112.8P328 K350 T351 E352 A358P328-Q354 VanDerWaalsContact CD-NE2 3.32Å; P328-Q354 VanDerWaalsContact CD-OE1 3.26Å; K350-Q354 HydrophobicContact CB-CB 4.06Å; T351-Q354 CarbonylContact O-C 3.48Å; T351-Q354 WeakPolarHBondContact O-CA 3.47Å; T351-Q354 WeakPolarHBondContact O-CB 3.38Å; T351-Q354 PolarHBondContact O-N 2.97Å; E352-Q354 PolarHBondContact O-N 2.84Å; Q354-A358 WeakPolarHBondContact O-CA 3.32Å; Q354-A358 WeakPolarHBondContact O-CB 3.25Å; Q354-A358 PolarHBondContact O-N 2.97Å
355T79.8Confident71.9Confident4 Ų474.4 Ų74.43%0.02538%0.377CS..Hα-helixtrans-60.9-51.6177.2-60.30000110E80 Y83 T351 E352 S359E80-T355 HydrophobicContact CB-CG2 4.07Å; E80-T355 HydrophobicContact CG-CG2 4.27Å; Y83-T355 HydrophobicContact CD2-CG2 4.43Å; Y83-T355 HydrophobicContact CE2-CG2 3.96Å; T351-T355 PolarHBondContact O-N 3.33Å; T351-T355 PolarHBondContact O-OG1 2.76Å; E352-T355 PolarHBondContact O-N 2.82Å; E352-T355 VanDerWaalsContact O-N 3.13Å; T355-S359 VanDerWaalsContact O-CB 3.23Å; T355-S359 WeakPolarHBondContact O-CB 3.45Å; T355-S359 PolarHBondContact O-N 2.78Å
356T80.4Confident72.1Confident26 Ų2678.9 Ų78.916%0.1641%0.413CS..Hα-helixtrans-55.7-56.3173.549.70000112.1N129 E352 Y353 A358 S359N129-T356 HydrophobicContact CB-CG2 3.91Å; N129-T356 WeakPolarHBondContact O-CG2 3.33Å; E352-T356 HydrophobicContact CG-CG2 4.47Å; E352-T356 WeakPolarHBondContact O-CG2 3.25Å; E352-T356 PolarHBondContact O-N 2.96Å; E352-T356 PolarHBondContact O-OG1 2.91Å; Y353-T356 WeakPolarHBondContact CA-OG1 3.49Å; Y353-T356 PolarHBondContact O-OG1 3.25Å; T356-A358 PolarHBondContact O-N 3.1Å; T356-S359 PolarHBondContact O-N 3.3Å
357K76.6Confident72.9Confident145 Ų14575.9 Ų75.963%0.6340%0.403SS*.Hα-helixtrans-77.8-18.9-174-65.3-165176.2-168.30116.2Y353Y353-K357 HydrophobicContact CD2-CD 4.47Å; Y353-K357 HydrophobicContact CE1-CD 4.01Å; Y353-K357 HydrophobicContact CE2-CD 3.9Å; Y353-K357 VanDerWaalsContact CE2-CE 3.47Å; Y353-K357 WeakPolarHBondContact O-CB 3.4Å; Y353-K357 WeakPolarHBondContact O-CG 3.34Å; Y353-K357 PolarHBondContact O-N 3.44Å; Y353-K357 PolarHBondContact OH-NZ 3.05Å
358A66.7Low73.4Confident67 Ų6783.3 Ų83.355%0.55444%0.438SS*.Hα-helixtrans-93.6-14.817400000112.6Q354 T356 K360Q354-A358 WeakPolarHBondContact O-CA 3.32Å; Q354-A358 WeakPolarHBondContact O-CB 3.25Å; Q354-A358 PolarHBondContact O-N 2.97Å; T356-A358 PolarHBondContact O-N 3.1Å; A358-K360 VanDerWaalsContact C-N 3.27Å; A358-K360 PolarHBondContact O-N 3Å
359S63.4Low75Confident16 Ų1681.9 Ų81.911%0.11242%0.419CS..  trans-7085.5168.6-165.50000109.7T355 T356 T361T355-S359 VanDerWaalsContact O-CB 3.23Å; T355-S359 WeakPolarHBondContact O-CB 3.45Å; T355-S359 PolarHBondContact O-N 2.78Å; T356-S359 PolarHBondContact O-N 3.3Å; S359-T361 PolarHBondContact O-N 3.43Å
360K61.7Low75.7Confident195 Ų19587.2 Ų87.285%0.84843%0.431SS*.  trans-63.3113.8162.2-71.5-174.4177.9-176.20107.1A358 R362A358-K360 VanDerWaalsContact C-N 3.27Å; A358-K360 PolarHBondContact O-N 3Å; K360-R362 PolarHBondContact O-N 2.75Å
361T57.9Low76.1Confident123 Ų12388.4 Ų88.476%0.75545%0.446SS*.  trans-50.2106.2179-41.80000110.2S359S359-T361 PolarHBondContact O-N 3.43Å
362R70.3Confident76.4Confident89 Ų8989.8 Ų89.834%0.33646%0.456SS..PPolyproline II helixtrans-69.3164.216959.5-171.3-71.6177.1-5.5108.6D77 E132 K360 S364D77-R362 IonicContact OD1-CZ 3.5Å; D77-R362 IonicContact OD1-NH1 2.59Å; D77-R362 PolarHBondContact OD1-NH1 3.17Å; D77-R362 IonicContact OD1-NH2 2.66Å; D77-R362 IonicContact OD2-CZ 3.97Å; D77-R362 VanDerWaalsContact OD2-CZ 3.31Å; D77-R362 IonicContact OD2-NH1 2.76Å; D77-R362 PolarHBondContact OD2-NH1 2.95Å; D77-R362 VanDerWaalsContact OD2-NH1 3.15Å; D77-R362 IonicContact OD2-NH2 3.85Å; D77-R362 PolarHBondContact OD2-NH2 3.37Å; E132-R362 VanDerWaalsContact OE1-CG 3.32Å; E132-R362 WeakPolarHBondContact OE1-CG 3.35Å; K360-R362 PolarHBondContact O-N 2.75Å; R362-S364 PolarHBondContact O-N 3.03Å
363R66.8Low76.6Confident239 Ų23998 Ų9890%0.90249%0.486SS*.SBendtrans-59.7124.3162.6-77.4-177.4-80.2161.4-6107.2A365R363-A365 PolarHBondContact O-N 3.28Å
364S63.5Low77.1Confident103 Ų10399.2 Ų99.272%0.7249%0.49SS*.PPolyproline II helixtrans-49122.3-171.7-47.90000110.9R362 S366R362-S364 PolarHBondContact O-N 3.03Å; S364-S366 PolarHBondContact O-N 2.84Å
365A68.6Low77.4Confident39 Ų39100.3 Ų100.332%0.32249%0.492SS..PPolyproline II helixtrans-77.1116.517800000109.4R363 F367R363-A365 PolarHBondContact O-N 3.28Å; A365-F367 PolarHBondContact O-N 2.93Å
366S72.5Confident77.7Confident127 Ų127105.1 Ų105.189%0.88853%0.526SS*.PPolyproline II helixtrans-68.2121.6169.454.40000109.5S364S364-S366 PolarHBondContact O-N 2.84Å
367F87.1Confident77.8Confident47 Ų47109.4 Ų109.421%0.20654%0.539CS..  trans-121156.3175.668.3-83.3000110.5E133 L134 Y137 A365 R369E133-F367 HydrophobicContact CB-CE1 3.93Å; E133-F367 HydrophobicContact CG-CE1 3.82Å; E133-F367 HydrophobicContact CG-CZ 4.25Å; L134-F367 HydrophobicContact CB-CD1 3.92Å; L134-F367 HydrophobicContact CB-CE1 4.01Å; L134-F367 HydrophobicContact CB-CG 4.32Å; L134-F367 HydrophobicContact CB-CZ 4.46Å; L134-F367 HydrophobicContact CD1-CD1 4.36Å; L134-F367 HydrophobicContact CD1-CD2 3.74Å; L134-F367 HydrophobicContact CD1-CE2 4.02Å; L134-F367 HydrophobicContact CD1-CG 3.94Å; L134-F367 HydrophobicContact CD1-CZ 4.45Å; Y137-F367 HydrophobicContact CD1-CD2 4.29Å; Y137-F367 AromaticContact CD1-CE2 3.47Å; Y137-F367 HydrophobicContact CD1-CE2 3.47Å; Y137-F367 VanDerWaalsContact CD1-CE2 3.47Å; Y137-F367 HydrophobicContact CD1-CZ 4.19Å; Y137-F367 HydrophobicContact CE1-CE2 4.07Å; Y137-F367 AromaticContact CG-CE2 3.72Å; Y137-F367 HydrophobicContact CG-CE2 3.72Å; Y137-F367 HydrophobicContact CG-CZ 4.06Å; A365-F367 PolarHBondContact O-N 2.93Å; F367-R369 HydrophobicContact CD2-CG 4.44Å; F367-R369 HydrophobicContact CE2-CG 3.71Å; F367-R369 HydrophobicContact CZ-CG 4.31Å
368E87.3Confident77.7Confident176 Ų176106.5 Ų106.582%0.82252%0.524SS*.PPolyproline II helixtrans-84.5127.3176.6-169.2-179.3163.200110.3
369R91.8Very high77.7Confident60 Ų60109.5 Ų109.523%0.22654%0.535CS..PPolyproline II helixtrans-82.8124.3172.8-73.5172.4167.580.1-1.1109.1E133 Y137 E217 F367E133-R369 IonicContact OE1-CZ 3.31Å; E133-R369 VanDerWaalsContact OE1-CZ 3.24Å; E133-R369 IonicContact OE1-NH1 3.66Å; E133-R369 PolarHBondContact OE1-NH1 2.89Å; E133-R369 IonicContact OE1-NH2 2.81Å; E133-R369 PolarHBondContact OE1-NH2 3.42Å; Y137-R369 HydrophobicContact CD2-CG 4.12Å; Y137-R369 HydrophobicContact CE2-CB 4.17Å; Y137-R369 HydrophobicContact CE2-CG 3.92Å; E217-R369 VanDerWaalsContact CD-NH2 3.3Å; E217-R369 IonicContact OE1-CZ 3.15Å; E217-R369 IonicContact OE1-NE 3.39Å; E217-R369 PolarHBondContact OE1-NE 2.89Å; E217-R369 IonicContact OE1-NH2 2.74Å; E217-R369 PolarHBondContact OE1-NH2 3.45Å; E217-R369 IonicContact OE2-CZ 2.68Å; E217-R369 IonicContact OE2-NE 3.67Å; E217-R369 IonicContact OE2-NH2 2.79Å; E217-R369 PolarHBondContact OE2-NH2 3Å; F367-R369 HydrophobicContact CD2-CG 4.44Å; F367-R369 HydrophobicContact CE2-CG 3.71Å; F367-R369 HydrophobicContact CZ-CG 4.31Å
370R88.6Confident77.6Confident138 Ų138111 Ų11152%0.52154%0.541SS..PPolyproline II helixtrans-71.4128.1172-73.8-100.4-174.6-164-9.9110.1D51 T53 Y137D51-R370 HydrophobicContact CB-CB 4.06Å; D51-R370 HydrophobicContact CB-CG 3.86Å; D51-R370 WeakPolarHBondContact OD2-CG 3.41Å; D51-R370 IonicContact OD2-NE 2.76Å; D51-R370 PolarHBondContact OD2-NE 2.94Å; T53-R370 VanDerWaalsContact CG2-CZ 3.48Å; Y137-R370 PolarHBondContact OH-N 2.92Å; Y137-R370 PolarHBondContact OH-O 2.84Å; Y137-R370 VanDerWaalsContact OH-O 3.08Å
371P88.5Confident77.4Confident96 Ų96110.2 Ų110.262%0.62354%0.541SS*.PPolyproline II helixtrans-59.8148.9168-23.634.6000111.7E170E170-P371 WeakPolarHBondContact OE1-CA 3.32Å
372S88.9Confident77.1Confident30 Ų30110.4 Ų110.421%0.2154%0.537CS..PPolyproline II helixtrans-67.9155.8174.3-61.20000111K144 E170 R374K144-S372 PolarHBondContact NZ-OG 2.84Å; E170-S372 PolarHBondContact OE1-N 3.45Å; E170-S372 WeakPolarHBondContact OE2-CB 3.16Å; E170-S372 PolarHBondContact OE2-N 2.99Å; E170-S372 PolarHBondContact OE2-OG 3.25Å; S372-R374 PolarHBondContact O-N 3.35Å; S372-R374 VanDerWaalsContact O-N 3.13Å
373R87.3Confident76.1Confident186 Ų186117.6 Ų117.670%0.70256%0.564SS**  trans-63.5115.4169.8178.9177.6177.4173.22.5109.9Y375R373-Y375 HydrophobicContact CB-CE2 4.24Å; R373-Y375 HydrophobicContact CG-CD2 4.4Å; R373-Y375 HydrophobicContact CG-CE2 3.85Å; R373-Y375 VanDerWaalsContact O-CD2 3.3Å; R373-Y375 WeakPolarHBondContact O-CD2 3.47Å; R373-Y375 VanDerWaalsContact O-CE2 3.3Å; R373-Y375 WeakPolarHBondContact O-CE2 3.43Å
374R90.1Very high74.8Confident117 Ų117108.4 Ų108.444%0.44254%0.544SS..  trans-79.9148.9168.6-66.4175.6-179.4-132.48.8111.2E186 S372E186-R374 HydrophobicContact CB-CB 4.35Å; E186-R374 HydrophobicContact CB-CG 4.38Å; E186-R374 CarbonylContact O-C 3.56Å; E186-R374 WeakPolarHBondContact O-CA 3.14Å; E186-R374 WeakPolarHBondContact OE2-CD 3.34Å; E186-R374 IonicContact OE2-CZ 3.24Å; E186-R374 IonicContact OE2-NE 3.68Å; E186-R374 IonicContact OE2-NH1 3.36Å; E186-R374 PolarHBondContact OE2-NH1 3.05Å; S372-R374 PolarHBondContact O-N 3.35Å; S372-R374 VanDerWaalsContact O-N 3.13Å
375Y88.3Confident73.8Confident84 Ų84113.5 Ų113.533%0.32955%0.549SS..  trans-121.3165.9179.7-68.7-100.8000109.8E186 R188 R373 R377E186-Y375 PolarHBondContact O-N 3.49Å; R188-Y375 HydrophobicContact CB-CD2 4.48Å; R188-Y375 HydrophobicContact CB-CE2 4.27Å; R188-Y375 HydrophobicContact CG-CD2 3.73Å; R188-Y375 HydrophobicContact CG-CE2 3.9Å; R188-Y375 HydrophobicContact CG-CG 4.07Å; R373-Y375 HydrophobicContact CB-CE2 4.24Å; R373-Y375 HydrophobicContact CG-CD2 4.4Å; R373-Y375 HydrophobicContact CG-CE2 3.85Å; R373-Y375 VanDerWaalsContact O-CD2 3.3Å; R373-Y375 WeakPolarHBondContact O-CD2 3.47Å; R373-Y375 VanDerWaalsContact O-CE2 3.3Å; R373-Y375 WeakPolarHBondContact O-CE2 3.43Å; Y375-R377 PolarHBondContact O-N 3.33Å
376S85.9Confident72.3Confident105 Ų105119.9 Ų119.973%0.73457%0.569SS**PPolyproline II helixtrans-59.2134.4169-175.50000110R188R188-S376 PolarHBondContact NH2-O 2.8Å
377R82.6Confident70.4Confident116 Ų116118.5 Ų118.544%0.43855%0.552SS.*PPolyproline II helixtrans-51.4142.9169.1-64175.6173.8-1511110D182 E186 Y375D182-R377 IonicContact OD2-NH1 3.88Å; D182-R377 PolarHBondContact OD2-NH1 3.35Å; E186-R377 HydrophobicContact CG-CG 3.73Å; E186-R377 IonicContact OE1-CZ 3.36Å; E186-R377 IonicContact OE1-NE 2.77Å; E186-R377 PolarHBondContact OE1-NE 2.9Å; E186-R377 IonicContact OE1-NH2 3.84Å; E186-R377 PolarHBondContact OE1-NH2 2.8Å; Y375-R377 PolarHBondContact O-N 3.33Å
378R74.9Confident68Low84 Ų84122.1 Ų122.132%0.31758%0.584SS.*PPolyproline II helixtrans-75.7139.7170.6-179.5-177.8-76.6129.7-8.8108.3Q193 E198 M380Q193-R378 PolarHBondContact O-NH1 2.93Å; Q193-R378 PolarHBondContact O-NH2 2.87Å; E198-R378 IonicContact OE1-CZ 3.72Å; E198-R378 IonicContact OE1-NH1 2.74Å; E198-R378 PolarHBondContact OE1-NH1 2.9Å; E198-R378 IonicContact OE2-NH1 3.87Å; E198-R378 PolarHBondContact OE2-NH1 3.12Å; R378-M380 VanDerWaalsContact C-N 3.31Å; R378-M380 PolarHBondContact O-N 2.84Å
379T65.8Low65.5Low129 Ų129122 Ų12279%0.79158%0.583SS**  trans-70.791.9167.1-51.60000108.5Q381T379-Q381 PolarHBondContact O-N 3.13Å
380M61.2Low62.7Low47 Ų47125.5 Ų125.523%0.23261%0.606CS.*  trans-51.4118.4177.3-74.7-75.1-179.700110.3S185 E195 E198 R378S185-M380 VanDerWaalsContact OG-CE 3.26Å; S185-M380 WeakPolarHBondContact OG-CE 3.3Å; E195-M380 HydrophobicContact CB-SD 3.97Å; E195-M380 VanDerWaalsContact CD-SD 3.54Å; E195-M380 HydrophobicContact CG-SD 3.62Å; E195-M380 WeakPolarHBondContact OE1-CA 3.5Å; E198-M380 VanDerWaalsContact OE2-CE 3.26Å; E198-M380 WeakPolarHBondContact OE2-CE 3.42Å; R378-M380 VanDerWaalsContact C-N 3.31Å; R378-M380 PolarHBondContact O-N 2.84Å
381Q57.7Low60.4Low179 Ų179125.2 Ų125.284%0.83662%0.619SS**SBendtrans-79.8-33-178.8-62.8-168.89.300111.1E195 T379 R383E195-Q381 PolarHBondContact OE1-N 2.92Å; E195-Q381 PolarHBondContact OE2-N 2.95Å; T379-Q381 PolarHBondContact O-N 3.13Å; Q381-R383 VanDerWaalsContact C-N 3.35Å; Q381-R383 PolarHBondContact O-N 3.13Å; Q381-R383 VanDerWaalsContact O-N 3.11Å
382N50.5Low58.1Low127 Ų127128.4 Ų128.468%0.67963%0.63SS**  trans-88.360.5-177.5-163.110000113.4E195 G384E195-N382 PolarHBondContact OE2-N 3.49Å; N382-G384 PolarHBondContact O-N 3.08Å
383R49.6Very low55.5Low241 Ų241132.9 Ų132.991%0.90966%0.662SS**  trans-76.849.9173.4-157.2-177.3-173.8-172.22.6112.6Q381 Y385Q381-R383 VanDerWaalsContact C-N 3.35Å; Q381-R383 PolarHBondContact O-N 3.13Å; Q381-R383 VanDerWaalsContact O-N 3.11Å; R383-Y385 PolarHBondContact O-N 3.25Å
384G41.1Very low53.1Low46 Ų46130.5 Ų130.547%0.47467%0.673SS.*  trans-75.7100.8177.900000112.4N382 F386N382-G384 PolarHBondContact O-N 3.08Å; G384-F386 PolarHBondContact O-N 3.1Å
385Y41.4Very low50.3Low210 Ų210128.2 Ų128.282%0.82469%0.687SS**  trans26.674.2161.6-80-91.3000117.5R383 N387R383-Y385 PolarHBondContact O-N 3.25Å; Y385-N387 VanDerWaalsContact C-N 3.28Å; Y385-N387 PolarHBondContact O-N 2.82Å
386F36.4Very low47.9Very low172 Ų172132.3 Ų132.375%0.75471%0.714SS**  trans-7189.7152.9-83-79.3000109L181 G384 S388L181-F386 HydrophobicContact CD1-CE2 4.14Å; L181-F386 HydrophobicContact CD1-CZ 3.99Å; G384-F386 PolarHBondContact O-N 3.1Å; F386-S388 PolarHBondContact O-N 2.96Å
387N34.3Very low45.3Very low99 Ų99130.8 Ų130.853%0.52972%0.715SS.*  trans-74.882.8-179.3-129.844.4000110.4Y385 Q389 D390Y385-N387 VanDerWaalsContact C-N 3.28Å; Y385-N387 PolarHBondContact O-N 2.82Å; N387-Q389 PolarHBondContact O-N 3.48Å; N387-D390 PolarHBondContact ND2-OD2 3.1Å
388S36.7Very low43Very low123 Ų123132.1 Ų132.186%0.8674%0.736SS**  trans-74.443.1173-60.50000112.7F386F386-S388 PolarHBondContact O-N 2.96Å
389Q34Very low40.9Very low172 Ų172133.4 Ų133.480%0.80476%0.758SS**  trans-155.842.7-174.3-147.3162.27.500115.3N387N387-Q389 PolarHBondContact O-N 3.48Å
390D32.6Very low39.3Very low134 Ų134132.6 Ų132.672%0.71776%0.757SS**  trans-12444.5172.8-86.5-64.6000113.3N387N387-D390 PolarHBondContact ND2-OD2 3.1Å
391V39.8Very low38Very low132 Ų132136.7 Ų136.780%0.878%0.78SS**SBendtrans-135134.8157.1-165.70000107.8
392L42.3Very low36.8Very low163 Ų163137.2 Ų137.285%0.85378%0.779SS**SBendtrans70.364.2-177.8-49.6-179.3000117.4
393S32.8Very low35.8Very low124 Ų124138 Ų13887%0.86779%0.788SS**  trans-168120.5133.6-87.20000112.9
394S36.3Very low35Very low136 Ų136131.5 Ų131.595%0.95178%0.78SS**  trans-142.4111.3162.8-84.20000108.5
395G33.2Very low35.2Very low70 Ų70135.5 Ų135.572%0.72280%0.798SS**  trans-177.595.5-174.500000114.7
396N36.1Very low34.7Very low170 Ų170130.8 Ų130.891%0.90980%0.796SS**  trans49.8106.5149.8-57.8-10.1000121.1
397G32.9Very low34.4Very low73 Ų73134.9 Ų134.975%0.75381%0.806SS**  108.9128.595.900000121.4
398V33.4Very low34.2Very low143 Ų143133.7 Ų133.787%0.86782%0.817SS**  trans75.792.3146-168.60000120.2
399S32.1Very low33.9Very low112 Ų112133.6 Ų133.678%0.78381%0.812SS**  38.9128.4119.6-161.40000122.3
400S31.7Very low33.8Very low111 Ų111137.9 Ų137.978%0.77682%0.821SS**  -175.1168.9110.4-157.90000115.1
401N32.4Very low33.9Very low133 Ų133137 Ų13771%0.71183%0.825SS**  trans-58.7154.4-166.7-74.3-69.2000121.2
402K33.6Very low33.3Very low190 Ų190133.9 Ų133.983%0.82682%0.82SS**  trans23.8136.2137.4-59.7178.7176.2177.20120.7
403V29.6Very low33Very low143 Ų143133.7 Ų133.787%0.86782%0.816SS**  -171.3155.5111.8138.30000110.7
404S31.5Very low33.5Very low106 Ų106133.6 Ų133.674%0.74181%0.812SS**  trans-124.6159.2169.460.80000111
405P46Very low33.6Very low130 Ų130133.4 Ų133.484%0.84481%0.805SS**  -140.4-176.9121.438.4-26.1000113.3
406S30.6Very low33.5Very low111 Ų111136.2 Ų136.278%0.77681%0.808SS**  trans-123.9148.6-165.855.80000114.5
407R30.9Very low33.2Very low257 Ų257133.3 Ų133.397%0.9780%0.801SS**  trans176.3146.3142.1-98.7166.7-176.1-147.50.9108.9
408G29.5Very low34.2Very low74 Ų74135.3 Ų135.376%0.76380%0.801SS**  cis-161.2166.4-2.200000112.5
409T31.4Very low34Very low122 Ų122134.9 Ų134.975%0.74880%0.798SS**  trans-67.3157-179.2-26.20000112.5
410W31.4Very low34Very low262 Ų262134.2 Ų134.299%0.99280%0.8SS**  -152161.1115.3-102.625.8000109.1
411S33.7Very low33.9Very low116 Ų116134.3 Ų134.381%0.81181%0.807SS**  trans-133.9154.6-164.3-175.40000111.9
412G28.3Very low33.8Very low66 Ų66132.9 Ų132.968%0.6881%0.807SS**  trans179.452.4-17600000115.9
413M35.7Very low33.5Very low159 Ų159129.6 Ų129.678%0.78380%0.803SS**  trans-94157.6163.7-62.9-77.696.500109.3
414P43.6Very low33.3Very low121 Ų121129 Ų12979%0.78680%0.804SS**  -143.3164.984.937.2-20.9000115.8
415V37.8Very low32.9Very low133 Ų133127.4 Ų127.481%0.80681%0.805SS**  trans-114.7130170.1171.60000108.8
416V31.8Very low32.9Very low129 Ų129126.8 Ų126.878%0.78280%0.801SS**  trans-148.5147.1168.2-170.20000111.8
417S29.8Very low32.7Very low108 Ų108129.1 Ų129.176%0.75580%0.801SS**  trans-148.4166.8157.3-66.20000106.6
418P54Low32.6Very low115 Ų115123.9 Ų123.975%0.74779%0.788SS**  cis-144.3-167.512.445.6-26000116.3
419V29.2Very low32.6Very low134 Ų134127.1 Ų127.181%0.81279%0.786SS**  trans74.8113.2148.1165.90000123.2
420A32.1Very low32.5Very low99 Ų99128.5 Ų128.582%0.81878%0.784SS**  trans50.2128.513700000126.1
421A29Very low32.1Very low112 Ų112120.7 Ų120.793%0.92678%0.775SS**  trans-161.9173.5139.400000111.4
422S29.7Very low31.8Very low103 Ų103122 Ų12272%0.7277%0.773SS**  trans-121.8161.2-157174.80000117.2
423T27.2Very low32.8Very low121 Ų121123.6 Ų123.674%0.74277%0.771SS**  trans89124144.516.70000124.8
424C25.6Very low32.4Very low131 Ų131126.9 Ų126.989%0.88577%0.774SS**  trans78146.7145.6-710000124.4
425G23.4Very low31.8Very low73 Ų73126.5 Ų126.575%0.75378%0.775SS**  trans-109.2-136.8179.600000113.7
426P46.9Very low32.2Very low117 Ų117126.5 Ų126.576%0.7678%0.778SS**  cis-144.1-162.413.745.7-25.5000117.2
427M26.4Very low32.1Very low160 Ų160124.1 Ų124.179%0.78878%0.779SS**  trans75.6152.1161.9-73.7169.18700118.5
428E27.3Very low32.2Very low146 Ų146122.9 Ų122.968%0.68278%0.783SS**  cis-154.1149.317.9-141.9178.9-17600115.2
429I30.8Very low31Very low142 Ų142122.7 Ų122.773%0.72877%0.772SS**  trans49162146.7-74.6165.7000123.4
430E28.3Very low31.1Very low151 Ų151124.1 Ų124.171%0.70677%0.768SS**  -176.2143-59.9-161.9-162.2153.700109.8
431A24.3Very low30.9Very low98 Ų98129 Ų12981%0.8177%0.765SS**  trans-164147.4150.600000113.4
432L26.8Very low30.7Very low145 Ų145126.8 Ų126.876%0.75975%0.753SS**  trans-123.7-179.2-179-87.3168.2000110.2
433P49Very low30.6Very low98 Ų98130.1 Ų130.164%0.63676%0.762SS**  cis-136.8-163.215.346.2-26.2000113.9
434R28Very low31.4Very low228 Ų228129.4 Ų129.486%0.8676%0.759SS**  cis-159.1148.46.5-142.5159.4-153.91473.8110.8
435S31.4Very low31.6Very low114 Ų114129.6 Ų129.680%0.79776%0.756SS**  trans-106.2-172.9169.2-40.70000110.8
436P46.3Very low31.8Very low133 Ų133132.5 Ų132.586%0.86476%0.759SS**  cis-133.1-179.44739.4-21.5000114
437G28.8Very low30.9Very low79 Ų79130.8 Ų130.881%0.81475%0.754SS**  cis171.9152.8-2.300000106.7
438G32.7Very low30.9Very low81 Ų81130.4 Ų130.484%0.83576%0.756SS**  cis123.515134.700000107
439E28.9Very low31.1Very low111 Ų111129.9 Ų129.952%0.51976%0.757SS.*  cis-162163.9-9.1-132.7-138.6124.500106R441E439-R441 IonicContact OE1-CZ 3.42Å; E439-R441 IonicContact OE1-NE 2.73Å; E439-R441 PolarHBondContact OE1-NE 2.98Å; E439-R441 IonicContact OE1-NH2 2.69Å; E439-R441 PolarHBondContact OE1-NH2 2.86Å; E439-R441 IonicContact OE2-CZ 3.93Å; E439-R441 IonicContact OE2-NE 2.74Å; E439-R441 IonicContact OE2-NH2 3.14Å; E439-R441 PolarHBondContact OE2-NH2 2.92Å
440K29.5Very low31Very low165 Ų165130.8 Ų130.872%0.71776%0.76SS**  cis-140.1176.940.9-93.591.3-163.9169.70110.1
441R29.3Very low30.8Very low201 Ų201132.6 Ų132.676%0.75877%0.768SS**  cis84.812027.2-139.2-160.5-55.9-166.55.4115.1E439E439-R441 IonicContact OE1-CZ 3.42Å; E439-R441 IonicContact OE1-NE 2.73Å; E439-R441 PolarHBondContact OE1-NE 2.98Å; E439-R441 IonicContact OE1-NH2 2.69Å; E439-R441 PolarHBondContact OE1-NH2 2.86Å; E439-R441 IonicContact OE2-CZ 3.93Å; E439-R441 IonicContact OE2-NE 2.74Å; E439-R441 IonicContact OE2-NH2 3.14Å; E439-R441 PolarHBondContact OE2-NH2 2.92Å
442G23.7Very low31.2Very low66 Ų66133.8 Ų133.868%0.6877%0.766SS**  cis154.2128.5-20.900000116.2
443L28.3Very low31.3Very low173 Ų173132.6 Ų132.691%0.90677%0.768SS**  trans63.7173.1153.4-65.2175000118.5
444P43.4Very low30.3Very low106 Ų106135.8 Ų135.869%0.68878%0.778SS**  cis-137175.64.244-27.5000118.2
445V29.7Very low30.4Very low135 Ų135132.5 Ų132.582%0.81878%0.778SS**  trans65.3137.7146.5161.10000118.7
446V27.2Very low30.5Very low134 Ų134134 Ų13481%0.81278%0.777SS**  cis-146.7167.7-8.2117.30000109.6
447A28.6Very low29.6Very low80 Ų80134 Ų13466%0.66177%0.774SS**  trans-87.3164-172.300000115.5
448D27.6Very low29.6Very low153 Ų153138.4 Ų138.482%0.81878%0.778SS**  -141.6170.7128.7-141-28.3000110.9
449L30.9Very low29.4Very low134 Ų134145.5 Ų145.570%0.70278%0.78SS**  trans-106.2162.4-163.3-71.498.8000112.7
450M27.8Very low29.3Very low161 Ų161144.9 Ų144.979%0.79379%0.793SS**  cis-159.5142.3-7.542.1177.885.200110.7
451E25.4Very low29Very low190 Ų190143 Ų14389%0.88880%0.801SS**  trans-114.1135155.2-85.2-167.1119.200109.2
452T31.2Very low28.9Very low122 Ų122141 Ų14175%0.74880%0.804SS**  trans-172.3123.9148.624.20000106.6
453C29.6Very low29.2Very low121 Ų121144.4 Ų144.482%0.81881%0.811SS**  58.3110.266.3-61.40000112.7
454I27.9Very low29.6Very low165 Ų165141.2 Ų141.285%0.84680%0.801SS**  trans-127.7120.6173.6-59.7176.4000107.7
455D29.5Very low29.3Very low158 Ų158142 Ų14285%0.84581%0.806SS**  trans-138.2135.6162.5-97.6-39.4000108.2
456D33.5Very low29.2Very low145 Ų145143.1 Ų143.178%0.77581%0.806SS**  trans10.8128.3172.7-68.2-20.9000123
457V27.2Very low29.2Very low135 Ų135143.4 Ų143.482%0.81881%0.808SS**  trans-133.598.8140.6-176.70000110.7
458L30.3Very low29.2Very low171 Ų171144.2 Ų144.290%0.89581%0.814SS**  trans-106.1127.1157.7-86172.4000109.5
459R26.9Very low29.3Very low229 Ų229140.9 Ų140.986%0.86481%0.809SS**  trans-119.196.9175.3-176.5-177.2-67.3174.20.5110
460A27.8Very low29.1Very low98 Ų98143.3 Ų143.381%0.8182%0.816SS**  trans-78.5151.9166.700000110.9
461S23.4Very low29.4Very low125 Ų125144 Ų14487%0.87482%0.817SS**  trans-104.6167.9170.2-159.70000111
462I27.8Very low29.5Very low160 Ų160141.2 Ų141.282%0.82181%0.813SS**  trans-106.1138.7-162.9-59.7164.9000111.5
463V28.6Very low29.3Very low137 Ų137138.4 Ų138.483%0.8381%0.809SS**  trans-176.5151.9142.2135.70000109.8
464P36.4Very low30.4Very low107 Ų107138.4 Ų138.470%0.69581%0.807SS**  trans-103.9170.6-153.239.4-35.8000116.5
465P37.3Very low30.3Very low122 Ų122136.4 Ų136.479%0.79281%0.807SS**  trans-90.7156.3179.536.6-36.2000114.5
466I28.5Very low30.2Very low158 Ų158132.7 Ų132.781%0.8180%0.797SS**  trans-141.6134.6164.7-55.6178.6000108.4
467T27.3Very low30Very low140 Ų140129.6 Ų129.686%0.85979%0.792SS**  trans-145.5110170.846.40000111
468A28.3Very low30.2Very low97 Ų97134 Ų13480%0.80280%0.795SS**  trans178.1150.7164.900000106.8
469A29.7Very low30.3Very low84 Ų84130.5 Ų130.569%0.69479%0.791SS**  cis-165.1167.7-21.400000108
470E27Very low30.3Very low185 Ų185124.2 Ų124.286%0.86479%0.789SS**  trans54.9111158.2-66.4-179.6139.400121.2
471E32.7Very low30.4Very low175 Ų175124.2 Ų124.282%0.81879%0.789SS**  53.6159.4116.9-83.7-65.4163.700124.7
472V28.3Very low30.8Very low131 Ų131123.9 Ų123.979%0.79479%0.786SS**  trans76.7122171.5-165.90000117.7
473G28.2Very low31Very low64 Ų64122.5 Ų122.566%0.6679%0.785SS**  trans-108.5-145.4167.400000112.3
474P52Low31.7Very low121 Ų121121.8 Ų121.879%0.78678%0.783SS**  cis-131.6-151.8-8.542.1-23.4000112.4
475C25.3Very low31.3Very low123 Ų123120.2 Ų120.283%0.83178%0.779SS**  trans73.7150.9171.1-70.80000117.9
476A28.6Very low30.9Very low79 Ų79123.3 Ų123.365%0.65378%0.783SS**  cis-165.6156.9-17.600000112.2
477A27.7Very low31.1Very low80 Ų80122.9 Ų122.966%0.66178%0.782SS**  trans66.5159.2166.200000116.4
478Y32.6Very low32.2Very low227 Ų227120.9 Ų120.989%0.8977%0.772SS**  cis-137.5169.522.6-63.6-95.2000114.7
479A30.9Very low32.3Very low98 Ų98124 Ų12481%0.8177%0.774SS**  trans-75.6169.7-178.300000114.9
480A28.6Very low32.6Very low98 Ų98123.1 Ų123.181%0.8176%0.763SS**  cis-175.6-164.6-21.100000109.9
481A29.5Very low33.3Very low98 Ų98122.5 Ų122.581%0.8177%0.765SS**  trans90.2137.7177.400000116.1
482S31.4Very low33.7Very low117 Ų117117.9 Ų117.982%0.81876%0.756SS**  cis-159.7156.7-10.342.70000111.1
483V32.3Very low34.4Very low131 Ų131118.3 Ų118.379%0.79475%0.75SS**  trans-121.1142.5-167.1-171.30000110.4
484P42.2Very low35Very low123 Ų123119.4 Ų119.480%0.79975%0.752SS**  -126134.11000.522.1000112.4
485A29.2Very low34.6Very low73 Ų73117.8 Ų117.860%0.60375%0.749SS**  80.8139.293.500000113.5
486E28.7Very low35.3Very low187 Ų187115.4 Ų115.487%0.87474%0.739SS**  cis-123.8175.510.8-67.3-87.290.300111.9
487D33.4Very low36Very low149 Ų149122.1 Ų122.180%0.79775%0.747SS**  trans-153.5171-177.9-168.849.4000109.7
488P50.4Low36.5Very low98 Ų98126.4 Ų126.464%0.63676%0.758SS**  -103-166.6-59.736.2-24.7000111
489L30.3Very low36.8Very low162 Ų162125 Ų12585%0.84876%0.756SS**  trans-169.4130.6137.3-107.5170.9000116
490S36Very low37Very low67 Ų67129 Ų12947%0.46976%0.758SS.*  trans41.3108.7144.4-164.30000121.9A492S490-A492 PolarHBondContact O-N 2.55Å; S490-A492 WeakPolarHBondContact OG-CB 3.46Å; S490-A492 PolarHBondContact OG-N 3.36Å; S490-A492 VanDerWaalsContact OG-N 3.17Å
491L40.5Very low37.3Very low172 Ų172132.9 Ų132.990%0.90176%0.764SS**THydrogen-bonded Turntrans-67.9-8.7162.6-166.267.8000113.7
492A42.5Very low37.2Very low77 Ų77137.1 Ų137.164%0.63677%0.767SS**THydrogen-bonded Turntrans-78.6-18.6-171.400000114.5S490S490-A492 PolarHBondContact O-N 2.55Å; S490-A492 WeakPolarHBondContact OG-CB 3.46Å; S490-A492 PolarHBondContact OG-N 3.36Å; S490-A492 VanDerWaalsContact OG-N 3.17Å
493E42.3Very low37.2Very low141 Ų141139.8 Ų139.866%0.65977%0.772SS**SBendtrans-83.7-23.9-171.3-159165.8154.300113.7A495 A496E493-A495 VanDerWaalsContact C-N 3.25Å; E493-A495 PolarHBondContact O-N 2.78Å; E493-A496 PolarHBondContact O-N 3.19Å
494A41.3Very low36.9Very low86 Ų86142.3 Ų142.371%0.71178%0.775SS**G310 helixtrans-65-28.317900000113.2A496A494-A496 VanDerWaalsContact C-N 3.29Å; A494-A496 PolarHBondContact O-N 2.83Å
495A43Very low36.1Very low87 Ų87140.9 Ų140.972%0.71977%0.768SS**G310 helixtrans-73.9-14.6-177.500000114.3E493E493-A495 VanDerWaalsContact C-N 3.25Å; E493-A495 PolarHBondContact O-N 2.78Å
496A40.5Very low36Very low74 Ų74142.5 Ų142.561%0.61277%0.774SS**G310 helixtrans-83.2-20.2-172.900000114.5E493 A494E493-A496 PolarHBondContact O-N 3.19Å; A494-A496 VanDerWaalsContact C-N 3.29Å; A494-A496 PolarHBondContact O-N 2.83Å
497R41.8Very low36.3Very low220 Ų220139.4 Ų139.483%0.8377%0.77SS**G310 helixtrans-903.5-169.1-69.6-166.9175.4-156.4-0.5116.2
498L39.7Very low35.9Very low170 Ų170140 Ų14089%0.8977%0.773SS**G310 helixtrans-104.422.4177.4-93.9168.1000114
499K39.2Very low35.3Very low197 Ų197140.9 Ų140.986%0.85778%0.779SS**SBendtrans-137.528179.7-106.6-168.2177.1-169.10116.6
500Q34.5Very low35Very low182 Ų182139.5 Ų139.585%0.8578%0.777SS**  trans-136.198.3162.8-76-172.8-70.900110.4
501L33.7Very low34.4Very low180 Ų180142.1 Ų142.194%0.94279%0.79SS**  trans-177.859146.3-101.1170.4000110
502E28.8Very low34.5Very low186 Ų186139 Ų13987%0.86978%0.78SS**  trans-127.6146.4164.1-73.6-171.9121.800109.1
503L31.4Very low33.8Very low174 Ų174145.4 Ų145.491%0.91179%0.788SS**  trans73.868.9171.1-71155.3000118.5
504E24.9Very low33Very low184 Ų184145.2 Ų145.286%0.8679%0.791SS**  trans-152.9150.3136.2-104-66.879.500106.8
505S26.4Very low32.3Very low93 Ų93148.8 Ų148.865%0.6580%0.798SS**  cis-150-161.1-0.572.10000111.7
506S25.8Very low31.7Very low106 Ų106150.6 Ų150.674%0.74180%0.8SS**  trans-148.5167.3170-131.20000108.7
507P36.7Very low31Very low122 Ų122154.3 Ų154.379%0.79281%0.81SS**  cis-145.3-159.923.742.8-19.7000117.3
508L24.2Very low30.3Very low162 Ų162150.6 Ų150.685%0.84881%0.805SS**  trans-76.8-175.1-178.9-67.1169.9000114.4
509P38.4Very low29.6Very low116 Ų116149.6 Ų149.675%0.75380%0.8SS**  cis-131.2-172.412.433.4-7.5000114.8
510V22.5Very low29.1Very low133 Ų133146.7 Ų146.781%0.80680%0.799SS**  cis-155.3163.748.9173.10000112.1
511T24Very low28.7Very low122 Ų122142.3 Ų142.375%0.74879%0.794SS**  trans-119.6-164.3-170.465.40000112
512P42.4Very low28.5Very low106 Ų106142.4 Ų142.469%0.68879%0.792SS**  cis-117-156.6-16.323.92.5000110.4
513R27.8Very low28.5Very low213 Ų213140.5 Ų140.580%0.80479%0.787SS**  cis-151.7175.321.1-84.9-169.4161.6102.5-0.8108.9
514N26.1Very low28.4Very low136 Ų136138.5 Ų138.573%0.72778%0.777SS**  cis-150.6145.8-4.2-128.228.5000107.6
515N27.3Very low28.5Very low161 Ų161137.9 Ų137.986%0.86178%0.775SS**  trans-138.9179.7-177.1-86.6-10000112.6
516V30.6Very low28.7Very low125 Ų125140.6 Ų140.676%0.75878%0.782SS**  trans116.8109.2169172.90000110.9
517N24.8Very low28.7Very low152 Ų152143.2 Ų143.281%0.81379%0.788SS**  61.1149.862.9-70.4-8.4000113
518I27.4Very low28.4Very low143 Ų143144.6 Ų144.673%0.73379%0.788SS**  cis-155.116244.4-74.9173.7000110.7
519N24.8Very low28.6Very low148 Ų148143.2 Ų143.279%0.79179%0.785SS**  trans-18.7141.1164.5-50.2-16.8000120.6
520V28.4Very low28.2Very low137 Ų137146.3 Ų146.383%0.8379%0.787SS**  trans-145.2106.8140.6-177.10000105.4
521A27.2Very low28.4Very low90 Ų90147.4 Ų147.474%0.74479%0.788SS**  66.1115.576.900000114.3
522M29.3Very low28.6Very low182 Ų182147.1 Ų147.190%0.89779%0.786SS**  trans-72.4137.6176.2-89.3-81.4-179.800111.7
523N28.3Very low27.9Very low146 Ų146149.1 Ų149.178%0.78179%0.786SS**  trans-147.4144153.2-167.629.4000110.1
524N29.9Very low27.8Very low131 Ų131147.6 Ų147.670%0.70179%0.785SS**  trans-96.2139.2178.2-68.3-24.9000110.4
525Q26.1Very low27.7Very low171 Ų171146.2 Ų146.280%0.79979%0.785SS**  trans-152.8128.8155.1-15670.16600108.6
526D30.2Very low27.7Very low150 Ų150144.6 Ų144.680%0.80278%0.781SS**  trans-67.8148.7172.8-52.3-100.9000111.3
527D26.9Very low27.6Very low162 Ų162145.3 Ų145.387%0.86678%0.779SS**  trans-149.5150.5149.6-138.1-27.1000112.5
528L29.6Very low27.7Very low151 Ų151144.4 Ų144.479%0.79178%0.775SS**  trans-122.9105.1-165.4172.668.3000111.5
529V28.8Very low27.7Very low132 Ų132142.4 Ų142.480%0.877%0.773SS**  trans-132.5131.1172.7-175.50000111.6
530K29.1Very low27.8Very low182 Ų182140.4 Ų140.479%0.79178%0.778SS**  trans-92.3150171.4-53.4170.2-177.6174.90109.8
531L27.3Very low27.8Very low156 Ų156137.3 Ų137.382%0.81777%0.773SS**  trans179.2121.1140.6-89.7148.2000105.4
532T27.7Very low27.9Very low115 Ų115138.9 Ų138.971%0.70678%0.779SS**  76.9130.264.7-54.20000113.2
533E28.3Very low27.7Very low149 Ų149135.2 Ų135.270%0.69677%0.771SS**  trans-17.6144.5168-37.8177.5156.500116.3
534K26.6Very low28.1Very low180 Ų180134 Ų13478%0.78377%0.771SS**  -170.717464.5-137.3150.8-167.2138.10115.9
535C23.7Very low27.9Very low108 Ų108133.3 Ų133.373%0.7377%0.771SS**  trans-69.7147-169.9-56.30000117.9
536V26Very low28Very low126 Ų126131.9 Ų131.976%0.76477%0.774SS**  60.8124.9127.7178.20000120.2
537L29.7Very low27.9Very low140 Ų140130.8 Ų130.873%0.73377%0.773SS**  -178.5139.2116.3-94.5176.9000113.3
538N26.2Very low28Very low134 Ų134128.5 Ų128.572%0.71777%0.767SS**  trans65.8149.5148.6-64.2-8.2000121.5
539S28.7Very low27.8Very low100 Ų100129.6 Ų129.670%0.69977%0.772SS**  cis-164.9146.5-16.7-103.50000114
540A27Very low27.6Very low107 Ų107134.7 Ų134.788%0.88478%0.777SS**  trans41.2129.9144.900000122.8
541G26.9Very low27.6Very low71 Ų71131.8 Ų131.873%0.73278%0.775SS**  trans-165.466.417000000115.1
542S28.8Very low27.9Very low124 Ų124130.5 Ų130.587%0.86778%0.776SS**  trans48.3119166.757.50000120.4
543S27.1Very low28.3Very low105 Ų105133.8 Ų133.873%0.73478%0.783SS**  trans-91.1168.2160.4-161.60000110.5V545S543-V545 PolarHBondContact OG-N 2.8Å
544P35.7Very low28.4Very low121 Ų121133 Ų13379%0.78678%0.784SS**  -140.9128.586.935.1-19.1000116.6
545V25.9Very low29.1Very low116 Ų116131.5 Ų131.570%0.70378%0.784SS**  trans52.293.9136.9-167.40000118.8S543S543-V545 PolarHBondContact OG-N 2.8Å
546V27.6Very low29.8Very low140 Ų140134 Ų13485%0.84878%0.782SS**  -136.9142.9126-179.80000107.1P548V546-P548 WeakPolarHBondContact O-CD 3.17Å
547T28.3Very low30.7Very low128 Ų128130 Ų13079%0.78576%0.76SS**PPolyproline II helixtrans-90.9120.3-173.3-49.60000112.7
548P28.4Very low31.8Very low114 Ų114127.7 Ų127.774%0.7475%0.748SS**PPolyproline II helixtrans-90.5143162.3-1.322.5000110.7V546V546-P548 WeakPolarHBondContact O-CD 3.17Å
549L25.6Very low33.2Very low173 Ų173121.5 Ų121.591%0.90672%0.715SS**PPolyproline II helixtrans-75.6146.6173.5-16068.2000110.3
550R26Very low34.4Very low240 Ų240119.4 Ų119.491%0.90670%0.696SS**PPolyproline II helixtrans-65.6139.6-175.1-80.8-177.9171.3148.9-4.7113.3
551T28.3Very low35.7Very low121 Ų121119.5 Ų119.574%0.74268%0.676SS**PPolyproline II helixtrans-72.9143.2153.246.40000110.5
552P33.4Very low37.1Very low128 Ų128118.2 Ų118.283%0.83166%0.658SS**  trans-100.495.7170.227-14000111.4
553E35.4Very low38.4Very low184 Ų184117.2 Ų117.286%0.8664%0.64SS**  trans-89.394.9160.7-69.1-172148.500109.6
554D31.8Very low39.7Very low134 Ų134115 Ų11572%0.71763%0.629SS**  trans-171.782.7156.8-118.6-31.3000111.6K556D554-K556 PolarHBondContact O-N 2.84Å
555L41.5Very low40.6Very low147 Ų147114.2 Ų114.277%0.7761%0.614SS**  trans-8559.6176-165.770.8000111.7F267F267-L555 HydrophobicContact CZ-CD2 4.3Å
556K37.1Very low41.9Very low161 Ų161111.1 Ų111.170%0.760%0.601SS**  trans-101.7136.4171.1-75-178.1177.9174.20111.4D554 N558D554-K556 PolarHBondContact O-N 2.84Å; K556-N558 PolarHBondContact O-N 2.83Å
557S46.3Very low43.2Very low42 Ų42107.3 Ų107.329%0.29458%0.584SS.*  trans-65.1114.4-177.545.30000111.5E287E287-S557 PolarHBondContact OE1-OG 3.28Å
558N51.4Low44.2Very low91 Ų91104.3 Ų104.349%0.48757%0.573SS.*  trans-122.226.8177.9-90.5-58.5000112.7K556 L560 K561 A562K556-N558 PolarHBondContact O-N 2.83Å; N558-L560 VanDerWaalsContact C-N 3.32Å; N558-L560 PolarHBondContact O-N 2.87Å; N558-K561 HydrophobicContact CB-CB 4.09Å; N558-K561 PolarHBondContact O-N 2.92Å; N558-K561 WeakPolarHBondContact OD1-CB 3.42Å; N558-K561 VanDerWaalsContact OD1-CD 3.25Å; N558-K561 WeakPolarHBondContact OD1-CD 3.47Å; N558-A562 WeakPolarHBondContact O-CB 3.48Å; N558-A562 PolarHBondContact O-N 2.95Å
559I55.6Low45.3Very low5 Ų5105.2 Ų105.23%0.02657%0.571CS.*Hα-helixtrans-55.8-48177.9-65.1170.8000111I263 F266 A562 Q563I263-I559 HydrophobicContact CG2-CB 4.28Å; I263-I559 HydrophobicContact CG2-CG1 4.05Å; I263-I559 HydrophobicContact CG2-CG2 3.72Å; I263-I559 WeakPolarHBondContact O-CG1 3.28Å; F266-I559 HydrophobicContact CD1-CD1 3.94Å; F266-I559 HydrophobicContact CE1-CD1 3.4Å; F266-I559 HydrophobicContact CE2-CD1 4.28Å; F266-I559 HydrophobicContact CZ-CD1 3.59Å; F266-I559 HydrophobicContact CZ-CG2 4.38Å; I559-A562 PolarHBondContact O-N 3.47Å; I559-Q563 PolarHBondContact O-N 2.8Å
560L53.7Low46.3Very low56 Ų56104.3 Ų104.329%0.29356%0.559SS.*Hα-helixtrans-69-35.1-179.8-63.9163.9000111.7H297 F299 N558 Q563 A564H297-L560 WeakPolarHBondContact CE1-CD1 3.35Å; F299-L560 HydrophobicContact CZ-CD2 4.4Å; N558-L560 VanDerWaalsContact C-N 3.32Å; N558-L560 PolarHBondContact O-N 2.87Å; L560-Q563 PolarHBondContact O-N 3.04Å; L560-A564 WeakPolarHBondContact O-CB 3.11Å; L560-A564 PolarHBondContact O-N 2.83Å
561K55.1Low46.8Very low108 Ų10894.7 Ų94.747%0.4754%0.535SS..Hα-helixtrans-67.3-43.2174.2-177.5172.4176172.90111.8N558 Q563 A564 E565N558-K561 HydrophobicContact CB-CB 4.09Å; N558-K561 PolarHBondContact O-N 2.92Å; N558-K561 WeakPolarHBondContact OD1-CB 3.42Å; N558-K561 VanDerWaalsContact OD1-CD 3.25Å; N558-K561 WeakPolarHBondContact OD1-CD 3.47Å; K561-Q563 VanDerWaalsContact C-N 3.31Å; K561-Q563 PolarHBondContact O-N 3.42Å; K561-A564 PolarHBondContact O-N 3.19Å; K561-A564 VanDerWaalsContact O-N 3.11Å; K561-E565 WeakPolarHBondContact CE-OE1 3.38Å; K561-E565 HydrophobicContact CG-CG 4.35Å; K561-E565 IonicContact NZ-OE1 3.56Å; K561-E565 WeakPolarHBondContact O-CB 3.48Å; K561-E565 WeakPolarHBondContact O-CG 3.38Å; K561-E565 PolarHBondContact O-N 3.15Å
562A56Low47.3Very low44 Ų4494.3 Ų94.336%0.36452%0.524SS..Hα-helixtrans-61.1-39.2173.400000111.8N558 I559 A566N558-A562 WeakPolarHBondContact O-CB 3.48Å; N558-A562 PolarHBondContact O-N 2.95Å; I559-A562 PolarHBondContact O-N 3.47Å; A562-A566 WeakPolarHBondContact O-CB 3.26Å; A562-A566 PolarHBondContact O-N 3.4Å
563Q57Low47.4Very low103 Ų10395.4 Ų95.448%0.48152%0.518SS..Hα-helixtrans-66-38.8171.6-74.3-166.4-31.900112.9I559 L560 K561 A567I559-Q563 PolarHBondContact O-N 2.8Å; L560-Q563 PolarHBondContact O-N 3.04Å; K561-Q563 VanDerWaalsContact C-N 3.31Å; K561-Q563 PolarHBondContact O-N 3.42Å; Q563-A567 VanDerWaalsContact O-CB 3.26Å; Q563-A567 WeakPolarHBondContact O-CB 2.83Å; Q563-A567 PolarHBondContact O-N 2.75Å
564A52.8Low47.7Very low60 Ų6094 Ų9450%0.49651%0.511SS..Hα-helixtrans-67.1-42.1176.400000112.3L560 K561 A567 A568L560-A564 WeakPolarHBondContact O-CB 3.11Å; L560-A564 PolarHBondContact O-N 2.83Å; K561-A564 PolarHBondContact O-N 3.19Å; K561-A564 VanDerWaalsContact O-N 3.11Å; A564-A567 PolarHBondContact O-N 3.21Å; A564-A568 WeakPolarHBondContact O-CB 2.73Å; A564-A568 PolarHBondContact O-N 2.77Å
565E56.5Low47.9Very low103 Ų10393.5 Ų93.548%0.48151%0.505SS..Hα-helixtrans-69.2-40.4177.1-71.2173.8168.800111.4K561 A567 A568 L569K561-E565 WeakPolarHBondContact CE-OE1 3.38Å; K561-E565 HydrophobicContact CG-CG 4.35Å; K561-E565 IonicContact NZ-OE1 3.56Å; K561-E565 WeakPolarHBondContact O-CB 3.48Å; K561-E565 WeakPolarHBondContact O-CG 3.38Å; K561-E565 PolarHBondContact O-N 3.15Å; E565-A567 VanDerWaalsContact C-N 3.32Å; E565-A567 PolarHBondContact O-N 2.96Å; E565-A568 PolarHBondContact O-N 2.89Å; E565-L569 WeakPolarHBondContact O-CB 3.31Å; E565-L569 WeakPolarHBondContact O-CG 3.49Å; E565-L569 PolarHBondContact O-N 2.85Å
566A53.1Low47.9Very low51 Ų5193 Ų9342%0.42150%0.503SS..Hα-helixtrans-66.3-31.1172.400000113.2A562 K570A562-A566 WeakPolarHBondContact O-CB 3.26Å; A562-A566 PolarHBondContact O-N 3.4Å; A566-K570 WeakPolarHBondContact O-CG 3.19Å; A566-K570 PolarHBondContact O-N 3.02Å
567A53.1Low47.9Very low61 Ų6192.6 Ų92.650%0.50451%0.507SS..Hα-helixtrans-72.8-42.117200000111.9Q563 A564 E565 K570 G571Q563-A567 VanDerWaalsContact O-CB 3.26Å; Q563-A567 WeakPolarHBondContact O-CB 2.83Å; Q563-A567 PolarHBondContact O-N 2.75Å; A564-A567 PolarHBondContact O-N 3.21Å; E565-A567 VanDerWaalsContact C-N 3.32Å; E565-A567 PolarHBondContact O-N 2.96Å; A567-K570 PolarHBondContact O-N 2.71Å; A567-G571 PolarHBondContact O-N 2.97Å
568A50.9Low47.4Very low65 Ų6598.6 Ų98.654%0.53753%0.532SS..Hα-helixtrans-62.4-42.7176.500000112.1A564 E565 K570 G571 H572A564-A568 WeakPolarHBondContact O-CB 2.73Å; A564-A568 PolarHBondContact O-N 2.77Å; E565-A568 PolarHBondContact O-N 2.89Å; A568-K570 VanDerWaalsContact C-N 3.28Å; A568-K570 PolarHBondContact O-N 3.16Å; A568-G571 PolarHBondContact O-N 2.93Å; A568-H572 PolarHBondContact O-N 3.42Å
569L51.3Low46.8Very low133 Ų133100.6 Ų100.670%0.69655%0.548SS*.Hα-helixtrans-60.8-34.8174.9-76.6166.5000112.8E565E565-L569 WeakPolarHBondContact O-CB 3.31Å; E565-L569 WeakPolarHBondContact O-CG 3.49Å; E565-L569 PolarHBondContact O-N 2.85Å
570K45.3Very low45.7Very low154 Ų154105.2 Ų105.267%0.6759%0.587SS**Hα-helixtrans-71.3-43.6173.6-75.4176.4178.6173.70112.2A566 A567 A568 H572 Q573A566-K570 WeakPolarHBondContact O-CG 3.19Å; A566-K570 PolarHBondContact O-N 3.02Å; A567-K570 PolarHBondContact O-N 2.71Å; A568-K570 VanDerWaalsContact C-N 3.28Å; A568-K570 PolarHBondContact O-N 3.16Å; K570-H572 VanDerWaalsContact C-N 3.34Å; K570-H572 PolarHBondContact O-N 3.39Å; K570-Q573 PolarHBondContact O-N 2.58Å
571G38.1Very low44.4Very low38 Ų38106.3 Ų106.339%0.39261%0.611SS.*Hα-helixtrans-60.3-41.6177.700000113.1A567 A568 Q573 E574 E575A567-G571 PolarHBondContact O-N 2.97Å; A568-G571 PolarHBondContact O-N 2.93Å; G571-Q573 PolarHBondContact O-N 2.89Å; G571-E574 PolarHBondContact O-N 2.81Å; G571-E575 PolarHBondContact O-N 3.49Å
572H38.4Very low43.3Very low113 Ų113108.5 Ų108.552%0.52363%0.628SS.*Hα-helixtrans-69.3-20.7-179.5-154.248.5000113.2A568 K570 E575 L576A568-H572 PolarHBondContact O-N 3.42Å; K570-H572 VanDerWaalsContact C-N 3.34Å; K570-H572 PolarHBondContact O-N 3.39Å; H572-E575 IonicContact CE1-OE2 2.61Å; H572-E575 IonicContact ND1-OE2 2.7Å; H572-E575 PolarHBondContact ND1-OE2 3.11Å; H572-L576 WeakPolarHBondContact O-CB 3.44Å; H572-L576 PolarHBondContact O-N 2.91Å
573Q35.9Very low42.2Very low150 Ų150116.7 Ų116.770%0.70166%0.656SS**Hα-helixtrans-77.5-25.9175.6-165.6169.218.300113.2K570 G571K570-Q573 PolarHBondContact O-N 2.58Å; G571-Q573 PolarHBondContact O-N 2.89Å
574E40.8Very low41Very low154 Ų154119 Ų11972%0.7267%0.672SS**Hα-helixtrans-80.4-38.2170.8-67.6-171.3124.600111.7G571 L576 L577G571-E574 PolarHBondContact O-N 2.81Å; E574-L576 PolarHBondContact O-N 2.95Å; E574-L577 PolarHBondContact O-N 2.81Å
575E36.5Very low39.9Very low125 Ų125122.1 Ų122.158%0.58469%0.688SS**Hα-helixtrans-61.3-42.9178.8-172.6174.7-143.300112.5G571 H572 L577 M578G571-E575 PolarHBondContact O-N 3.49Å; H572-E575 IonicContact CE1-OE2 2.61Å; H572-E575 IonicContact ND1-OE2 2.7Å; H572-E575 PolarHBondContact ND1-OE2 3.11Å; E575-L577 PolarHBondContact O-N 3.46Å; E575-M578 PolarHBondContact O-N 3.34Å
576L40.2Very low38.6Very low137 Ų137124 Ų12472%0.71770%0.702SS**THydrogen-bonded Turntrans-71.3-9.3-178.2-153.7126.7000113.8H572 E574H572-L576 WeakPolarHBondContact O-CB 3.44Å; H572-L576 PolarHBondContact O-N 2.91Å; E574-L576 PolarHBondContact O-N 2.95Å
577L38Very low37.5Very low152 Ų152128.2 Ų128.280%0.79672%0.716SS**THydrogen-bonded Turntrans-89.4-10.5178.2-135.379.3000113.9E574 E575E574-L577 PolarHBondContact O-N 2.81Å; E575-L577 PolarHBondContact O-N 3.46Å
578M35.1Very low36.3Very low167 Ų167133.7 Ų133.782%0.82373%0.731SS**SBendtrans-102.90.7-170.1-69.9-73.5-92.300114.7E575E575-M578 PolarHBondContact O-N 3.34Å
579V40.2Very low35.2Very low133 Ų133139.4 Ų139.481%0.80675%0.747SS**  trans-130.361.6-173.1-164.10000112.9
580A32.2Very low34.1Very low103 Ų103137.2 Ų137.285%0.85175%0.748SS**  trans-146.1102.3164.300000110
581G26.8Very low33.6Very low78 Ų78135.5 Ų135.580%0.80476%0.755SS**  trans-91.7170.2-168.200000116.5
582D30.9Very low33.3Very low155 Ų155137.8 Ų137.883%0.82977%0.771SS**  trans-61.5151.7-171.6-55.1-96.4000117.1
583K32.7Very low32.9Very low215 Ų215144 Ų14494%0.93579%0.789SS**  trans-158.2148.8133.6-102.3138.7-170.1170.80111.3
584N31.9Very low32.7Very low153 Ų153144.3 Ų144.382%0.81880%0.795SS**  trans-150120.8-158.5174.810000113
585C30.5Very low32.3Very low124 Ų124145.7 Ų145.784%0.83880%0.799SS**  trans177164155.953.50000111.5
586N28.9Very low32Very low144 Ų144146.3 Ų146.377%0.7781%0.81SS**  cis-166.4179.9-41.4-161-1.7000109.2
587L29.1Very low31.7Very low138 Ų138150.3 Ų150.372%0.72382%0.816SS**  trans81.2127.8-173.5-74.770.4000113.8
588Q28.1Very low31.3Very low176 Ų176148.9 Ų148.982%0.82281%0.814SS**  73.8141.852.3-67.2-175.4-27.300112.9
589E27.6Very low30.9Very low186 Ų186143.9 Ų143.987%0.86981%0.805SS**  cis-138.6-171.523.6-150.1-172.7149.100113
590A29.3Very low30.5Very low86 Ų86148.9 Ų148.971%0.71181%0.809SS**  trans-146.7159.1178.700000112.4
591S34.2Very low30.6Very low119 Ų119150.3 Ų150.383%0.83280%0.802SS**  trans146.8151.2135.5-168.20000115.6
592A31.7Very low30.6Very low86 Ų86149.4 Ų149.471%0.71179%0.793SS**  trans72.9149.9162.500000117.5
593R30.2Very low30.8Very low242 Ų242147.7 Ų147.791%0.91379%0.793SS**  cis-137.116313.2-74.7-179.8174.5-170.3-1.9114.4
594L31.2Very low30.5Very low157 Ų157145.4 Ų145.482%0.82279%0.791SS**  trans-58.3170.3165.6-118.461.3000112.4
595K33.4Very low30.5Very low184 Ų184143.5 Ų143.580%0.879%0.79SS**  cis-169.8175.845.3-153.4157.8-176.4176.30114.3
596V30.1Very low30.5Very low137 Ų137142.7 Ų142.783%0.8379%0.786SS**  trans88.5144.4175.1173.20000113.4
597R33Very low30.5Very low222 Ų222143.5 Ų143.584%0.83879%0.789SS**  cis178145.7-29.4-149.5-156175.5161.8-3.2104.9
598T29.9Very low30.4Very low122 Ų122141.9 Ų141.975%0.74879%0.79SS**  cis-156.6156.70.2-130000106.1
599G27.1Very low30.4Very low62 Ų62140 Ų14064%0.63979%0.79SS**  cis131.6123.7-9.400000113.8
600R31.5Very low30.5Very low237 Ų237136.4 Ų136.489%0.89479%0.785SS**  trans79.1151.2177.8-69.8-168.2165.6-142.5-3.9117.6
601L33.9Very low30.2Very low133 Ų133138 Ų13870%0.69679%0.791SS**  cis-178.2147-19.3176.672.1000107.4
602G27.6Very low30.1Very low60 Ų60142.3 Ų142.362%0.61979%0.789SS**  cis132.3143.6-12.200000115.4
603S34.6Very low30.6Very low119 Ų119143.9 Ų143.983%0.83279%0.792SS**  trans77.9122.6160.7-51.10000121.6
604N26.9Very low30.6Very low167 Ų167138 Ų13889%0.89378%0.778SS**  -165176.4125.358.2-0.7000111.1
605S31.9Very low31.3Very low112 Ų112136.1 Ų136.178%0.78378%0.776SS**  trans-149.8170.6-16357.30000114
606S30Very low31.1Very low108 Ų108135.3 Ų135.376%0.75578%0.775SS**  trans123.2120.4148.573.10000119.8
607L29.2Very low31.2Very low160 Ų160134.3 Ų134.384%0.83877%0.765SS**  trans47.9133.1133.9-56.8176.2000125.1
608S26.1Very low31.1Very low105 Ų105127 Ų12773%0.73475%0.748SS**  trans82.9114.8133.855.20000124.5
609V28.1Very low31.1Very low137 Ų137131.6 Ų131.683%0.8375%0.752SS**  67.8107128.2-174.90000121.8
610S30.1Very low31.3Very low109 Ų109133.9 Ų133.976%0.76275%0.749SS**  trans44.3118.2135-163.70000122.8
611S24.3Very low31.3Very low121 Ų121129.2 Ų129.285%0.84674%0.742SS**  -170.5161.2129.422.90000113.3
612R31.1Very low30.9Very low209 Ų209131.2 Ų131.279%0.78975%0.752SS**  trans-90.6166.6168-110.6-168-166-122.19.5109.6D614R612-D614 IonicContact CZ-OD2 3.89Å; R612-D614 IonicContact NH1-OD1 2.76Å; R612-D614 IonicContact NH1-OD2 2.9Å; R612-D614 PolarHBondContact NH1-OD2 3.4Å
613P42.4Very low30.8Very low119 Ų119137.4 Ų137.477%0.77376%0.762SS**  cis-149.3-17346.642.2-20.5000117.8
614D29.8Very low30.8Very low117 Ų117137.4 Ų137.463%0.62676%0.759SS**  trans-75.9157.3172.4-45.5-100.4000112.8R612R612-D614 IonicContact CZ-OD2 3.89Å; R612-D614 IonicContact NH1-OD1 2.76Å; R612-D614 IonicContact NH1-OD2 2.9Å; R612-D614 PolarHBondContact NH1-OD2 3.4Å
615P46.1Very low30.7Very low118 Ų118133.5 Ų133.577%0.76675%0.75SS**  -140.1153.49118.74.9000114.1
616Q30Very low30.3Very low168 Ų168133.5 Ų133.579%0.78575%0.75SS**  71.5143.467.2-165.1161.7-9.100113.1
617D32.3Very low30.2Very low115 Ų115136 Ų13662%0.61575%0.754SS**  cis-145.8179.210.8-133.9-23.6000109
618S30.9Very low30.1Very low70 Ų70134.8 Ų134.849%0.4975%0.753SS.*  cis-158.3-145.7-6-148.10000108.1
619W29.8Very low30.1Very low218 Ų218135.4 Ų135.483%0.82676%0.757SS**  cis-162.3165.3-3.2-104.7139.8000104.7
620D29.9Very low30.1Very low109 Ų109134.3 Ų134.358%0.58376%0.755SS**  cis-154.2-125.2-16.6-177.843.2000109.1
621L31.6Very low30Very low140 Ų140133.9 Ų133.973%0.73376%0.759SS**  trans-148.9160.5-157.8-75.1167.1000114.7
622L25.5Very low30.2Very low174 Ų174132.5 Ų132.591%0.91175%0.754SS**  -170.3159.4121-101.5171.4000112.3
623K27.4Very low30.1Very low191 Ų191127 Ų12783%0.8375%0.754SS**  trans-109.2160.1176.1-113.4176-177173.70108.5
624P34.1Very low29.5Very low118 Ų118127 Ų12777%0.76676%0.757SS**  -157171.861.442.7-21.5000119.5
625A24.3Very low29.6Very low85 Ų85125.9 Ų125.970%0.70276%0.763SS**  trans42.5145.4140.600000125.1
626S24.5Very low28.8Very low112 Ų112129.5 Ų129.578%0.78377%0.77SS**  trans74.3157.215485.70000117
627L26.9Very low28.8Very low160 Ų160132.8 Ų132.884%0.83878%0.775SS**  cis-130.3152.1-2.4-82.4171.4000110.6
628V27.4Very low28.7Very low135 Ų135135.8 Ų135.882%0.81879%0.791SS**  trans-95.4130.5151.1173.40000107.2
629S25.8Very low28.7Very low119 Ų119136.5 Ų136.583%0.83280%0.8SS**  trans-100.2146.8173.3-1680000110.6
630S29.2Very low28.7Very low113 Ų113135 Ų13579%0.7980%0.803SS**  trans-140.4152.4-161.558.40000114.1
631A26.3Very low28.6Very low101 Ų101137 Ų13784%0.83581%0.813SS**  trans-157.9132.6162.800000108
632A28.7Very low28.4Very low91 Ų91135.5 Ų135.575%0.75282%0.815SS**  cis-156.3169.5-900000109.9
633A30.3Very low28.6Very low94 Ų94135 Ų13578%0.77781%0.813SS**  trans38131.4148.900000120.1
634S29.6Very low29.7Very low120 Ų120131.1 Ų131.184%0.83981%0.808SS**  cis-154.1-179.925.2-89.10000113
635A30.8Very low29.3Very low92 Ų92131 Ų13176%0.7681%0.81SS**  trans-62.9171.3169.400000112.3
636E30.7Very low29.8Very low195 Ų195133.4 Ų133.491%0.91182%0.815SS**  cis-136.8-17637.7-70.2-168.694.600116.2
637R30.1Very low30.7Very low236 Ų236133.9 Ų133.989%0.89182%0.815SS**  trans-97.6150.7-174.7-53172.7179.1172.6-1.6112.2
638L29.9Very low30.7Very low179 Ų179135.8 Ų135.894%0.93782%0.817SS**  -165174.1113.7-103.3165.1000109.8
639A29.9Very low31Very low84 Ų84136.7 Ų136.769%0.69482%0.815SS**  trans-140.2-170.4-163.300000112.8
640E29.4Very low31.6Very low187 Ų187136.8 Ų136.887%0.87481%0.814SS**  trans73.1152.7176.5-53.8-178137.300116.3
641D28.5Very low31.6Very low150 Ų150136 Ų13680%0.80281%0.813SS**  cis-165.1-167.1-46.3-145-43.2000107.6
642S26.7Very low31.7Very low110 Ų110137.3 Ų137.377%0.76981%0.811SS**  trans9093.7159.2-49.80000119
643N30.1Very low31.7Very low162 Ų162138 Ų13887%0.86681%0.81SS**  trans-92.9-173.6139.1-99.4-48.3000108.5
644P49.8Very low31.7Very low111 Ų111142.7 Ų142.772%0.72182%0.816SS**  cis-133.6-169.3-0.543.2-26.7000114.2
645S27Very low31.5Very low116 Ų116140.3 Ų140.381%0.81181%0.811SS**  178.3155.112046.50000114.2
646V34Very low31.4Very low135 Ų135144.7 Ų144.782%0.81882%0.82SS**  trans-152141.9177.91760000109.8
647P43.2Very low31.3Very low121 Ų121139.5 Ų139.579%0.78681%0.811SS**  trans-128.6141.7140.634.7-23.8000111.3
648K28.5Very low32.1Very low200 Ų200133.9 Ų133.987%0.8781%0.805SS**  cis103.7133.828.5-156.7177.2-164.9-174.50112.6
649I33.2Very low31.9Very low154 Ų154135.3 Ų135.379%0.7980%0.804SS**  trans-105.3154.1-166.5-59159.1000111
650P38.8Very low31.8Very low122 Ų122137.7 Ų137.779%0.79281%0.809SS**  trans-117.4156.4151.537.6-27.9000113.4
651A29.2Very low31.6Very low95 Ų95138.7 Ų138.779%0.78581%0.811SS**  trans-151.7150.4177.500000112.3
652V26.6Very low31.6Very low130 Ų130136 Ų13679%0.78881%0.809SS**  trans-152.2121174.7-170.60000105
653S30.1Very low31.7Very low104 Ų104140 Ų14073%0.72782%0.816SS**  53.6141.485.2-400000113.7
654E28.9Very low31.7Very low193 Ų193141 Ų14190%0.90282%0.815SS**  cis-162.5163.96.9-148.7167.7-137.800110.7
655G26.7Very low30.5Very low71 Ų71145 Ų14573%0.73282%0.822SS**  trans105.1123.2145.500000122
656L28Very low30.6Very low183 Ų183145.5 Ų145.596%0.95882%0.815SS**  trans75.3146.8144.7-131.671.8000122.6
657A28.5Very low30.4Very low86 Ų86146.4 Ų146.471%0.71181%0.814SS**  trans-156.2-177.1172.900000107.6
658P48.1Very low29.6Very low118 Ų118147.9 Ų147.977%0.76681%0.81SS**  cis-133.1163.4-8.740.5-25.8000114.7
659K25.2Very low29.5Very low210 Ų210145.7 Ų145.791%0.91381%0.808SS**  trans-164166.5139.3-123.2169.7-177.51720115.2
660V27.3Very low29.3Very low134 Ų134144.4 Ų144.481%0.81281%0.807SS**  trans-92.5130.3-169.2173.90000112.4
661K24.7Very low29Very low208 Ų208141.4 Ų141.490%0.90480%0.798SS**  -161.4165.4126.4-113.7-177.2178-170.90111
662A30.2Very low29Very low94 Ų94142.7 Ų142.778%0.77780%0.796SS**  trans-101.5150.7-174.900000111.7
663E26.9Very low29.6Very low193 Ų193142.7 Ų142.790%0.90279%0.791SS**  trans-153.7166.2153.7-125.7158.6-149.200108.7
664E31.2Very low30.3Very low183 Ų183138.4 Ų138.486%0.85576%0.761SS**  trans-71.2152.7-167.5-64.917198.500113.6
665F24.6Very low31.4Very low196 Ų196133.8 Ų133.886%0.8674%0.739SS**  trans-139.3119.7159.9-119.3-86000111.7I667F665-I667 PolarHBondContact O-N 2.86Å
666D28.6Very low32.8Very low126 Ų126131.3 Ų131.367%0.67471%0.709SS**  trans-64.2124.7174.6174.928000110.8
667I29.1Very low33.9Very low153 Ų153125.4 Ų125.479%0.78568%0.678SS**  trans-101.692.2175-58.9-175.8000108.6F665 N669F665-I667 PolarHBondContact O-N 2.86Å; I667-N669 PolarHBondContact O-N 2.93Å; I667-N669 VanDerWaalsContact O-N 3.16Å
668Q27.1Very low35.5Very low152 Ų152122.6 Ų122.671%0.7165%0.651SS**  trans-52.6119.4172.6-66.5-179.5-6.400110.8V670Q668-V670 PolarHBondContact O-N 3Å
669N27.3Very low36.1Very low155 Ų155120.7 Ų120.783%0.82963%0.634SS**  trans-72.885.7-175.9-174.75.5000111.1I667 G671I667-N669 PolarHBondContact O-N 2.93Å; I667-N669 VanDerWaalsContact O-N 3.16Å; N669-G671 VanDerWaalsContact C-N 3.33Å; N669-G671 PolarHBondContact O-N 3.33Å
670V28.3Very low38Very low127 Ų127111.7 Ų111.777%0.7760%0.595SS**  trans-66.292.3174.9-179.30000109.4Q668 V672Q668-V670 PolarHBondContact O-N 3Å; V670-V672 PolarHBondContact O-N 3.22Å
671G31.8Very low39.3Very low58 Ų58109.1 Ų109.160%0.59858%0.58SS**  trans-61.5100-171.900000113.7N669 L673N669-G671 VanDerWaalsContact C-N 3.33Å; N669-G671 PolarHBondContact O-N 3.33Å; G671-L673 VanDerWaalsContact C-N 3.28Å; G671-L673 PolarHBondContact O-N 2.91Å
672V30.9Very low40.1Very low122 Ų122105.2 Ų105.274%0.73957%0.569SS**  trans-69.986.3168.2-177.60000109V670 S674V670-V672 PolarHBondContact O-N 3.22Å; V672-S674 PolarHBondContact O-N 2.81Å
673L39.3Very low40.4Very low130 Ų130105.6 Ų105.668%0.68156%0.564SS**  trans-50.8102.3175.9-76.8168.7000110.7G671G671-L673 VanDerWaalsContact C-N 3.28Å; G671-L673 PolarHBondContact O-N 2.91Å
674S44.2Very low40.7Very low15 Ų15100.7 Ų100.711%0.10555%0.547CS..  trans-67.4137.2-173.549.10000111.7D275 R340 V672 N676 L677D275-S674 WeakPolarHBondContact OD2-CB 3.4Å; D275-S674 PolarHBondContact OD2-OG 2.7Å; R340-S674 PolarHBondContact NH2-O 2.8Å; V672-S674 PolarHBondContact O-N 2.81Å; S674-N676 PolarHBondContact O-N 3.43Å; S674-N676 VanDerWaalsContact O-N 3.1Å; S674-L677 PolarHBondContact O-N 3.24Å
675E51.8Low40.6Very low95 Ų9597.5 Ų97.544%0.44454%0.542SS..THydrogen-bonded Turntrans-68.3-20.1-161.4-64.9163.6122.500113.8
676N55.3Low41Very low19 Ų1995.6 Ų95.610%0.10254%0.54CS..THydrogen-bonded Turntrans-116.39.8-175.7-50.2-61.8000113.4F276 W313 S343 S674 I678F276-N676 HydrophobicContact CD1-CB 3.68Å; F276-N676 HydrophobicContact CE1-CB 3.57Å; F276-N676 PolarHBondContact O-ND2 3.01Å; W313-N676 HydrophobicContact CZ2-CB 4.42Å; W313-N676 WeakPolarHBondContact CZ2-O 3.39Å; S343-N676 WeakPolarHBondContact CA-OD1 3.32Å; S343-N676 WeakPolarHBondContact CB-OD1 3.35Å; S343-N676 PolarHBondContact N-OD1 2.63Å; S674-N676 PolarHBondContact O-N 3.43Å; S674-N676 VanDerWaalsContact O-N 3.1Å; N676-I678 PolarHBondContact O-N 3.22Å
677L52.2Low41.3Very low59 Ų5997.1 Ų97.131%0.30955%0.548SS..  trans-54.3125.2-176.1-177.959.3000112.1R273 D275 S674R273-L677 HydrophobicContact CG-CD1 3.68Å; D275-L677 HydrophobicContact CB-CD1 4.44Å; S674-L677 PolarHBondContact O-N 3.24Å
678I62.6Low41.6Very low27 Ų2795.2 Ų95.214%0.13855%0.545CS..EExtended strand (participates in β ladder)trans-115.5122.3156.2-56.1178.1000107.1L274 W313 V317 N676 F680L274-I678 PolarHBondContact N-O 3.37Å; W313-I678 HydrophobicContact CH2-CD1 4.23Å; W313-I678 HydrophobicContact CZ2-CD1 3.76Å; W313-I678 HydrophobicContact CZ2-CG1 4.07Å; V317-I678 HydrophobicContact CB-CD1 4.43Å; V317-I678 HydrophobicContact CG1-CD1 3.62Å; V317-I678 HydrophobicContact CG2-CD1 3.85Å; N676-I678 PolarHBondContact O-N 3.22Å; I678-F680 HydrophobicContact CB-CE1 4.21Å; I678-F680 HydrophobicContact CB-CZ 4.39Å; I678-F680 HydrophobicContact CG2-CD1 3.72Å; I678-F680 HydrophobicContact CG2-CE1 3.34Å; I678-F680 HydrophobicContact CG2-CZ 3.99Å
679D60.3Low41.9Very low78 Ų7893.6 Ų93.642%0.41755%0.548SS..EExtended strand (participates in β ladder)trans-96.2136.4170.7-164.1-36000107.4T681D679-T681 WeakPolarHBondContact OD1-CB 3.46Å; D679-T681 WeakPolarHBondContact OD1-CG2 3.49Å; D679-T681 PolarHBondContact OD1-N 3.2Å; D679-T681 PolarHBondContact OD1-OG1 3.24Å
680F63.6Low42.3Very low21 Ų2194.3 Ų94.39%0.09255%0.551CS.*  trans-112.87.8-179.2-53.8-59.4000112.5I271 T272 L274 V317 H320 R324 I678 D682I271-F680 HydrophobicContact CG2-CD2 4.19Å; I271-F680 HydrophobicContact CG2-CE2 4.17Å; T272-F680 WeakPolarHBondContact O-CA 3.45Å; T272-F680 VanDerWaalsContact O-CB 3.32Å; T272-F680 WeakPolarHBondContact O-CB 3.5Å; T272-F680 PolarHBondContact O-N 3.28Å; L274-F680 HydrophobicContact CB-CE2 3.64Å; L274-F680 HydrophobicContact CB-CZ 4.11Å; V317-F680 HydrophobicContact CG2-CZ 4.47Å; H320-F680 HydrophobicContact CB-CZ 4.38Å; H320-F680 AromaticContact CD2-CD2 3.78Å; H320-F680 AromaticContact CD2-CE2 3.73Å; H320-F680 AromaticContact CD2-CZ 3.95Å; H320-F680 AromaticContact CE1-CD1 3.12Å; H320-F680 WeakPolarHBondContact CE1-CD1 3.38Å; H320-F680 AromaticContact CE1-CD2 3.77Å; H320-F680 AromaticContact CE1-CE1 3.55Å; H320-F680 AromaticContact CE1-CG 3.22Å; H320-F680 WeakPolarHBondContact CE1-CG 3.39Å; H320-F680 AromaticContact CG-CE1 3.92Å; H320-F680 AromaticContact CG-CZ 3.86Å; H320-F680 AromaticContact ND1-CD1 3.56Å; H320-F680 AromaticContact ND1-CE1 3.49Å; H320-F680 WeakPolarHBondContact ND1-CE1 3.35Å; H320-F680 AromaticContact ND1-CZ 3.94Å; H320-F680 AromaticContact NE2-CD1 3.6Å; H320-F680 AromaticContact NE2-CD2 3.31Å; H320-F680 VanDerWaalsContact NE2-CD2 3.31Å; H320-F680 WeakPolarHBondContact NE2-CD2 3.38Å; H320-F680 AromaticContact NE2-CE1 3.99Å; H320-F680 AromaticContact NE2-CE2 3.74Å; H320-F680 AromaticContact NE2-CG 3.22Å; H320-F680 WeakPolarHBondContact NE2-CG 3.44Å; R324-F680 PolarHBondContact NH2-O 2.91Å; I678-F680 HydrophobicContact CB-CE1 4.21Å; I678-F680 HydrophobicContact CB-CZ 4.39Å; I678-F680 HydrophobicContact CG2-CD1 3.72Å; I678-F680 HydrophobicContact CG2-CE1 3.34Å; I678-F680 HydrophobicContact CG2-CZ 3.99Å; F680-D682 VanDerWaalsContact C-N 3.26Å
681T56Low42.5Very low81 Ų8197.2 Ų97.250%0.49756%0.556SS.*  trans-79.2-6.517465.10000113.4T272 D679T272-T681 HydrophobicContact CG2-CG2 3.98Å; D679-T681 WeakPolarHBondContact OD1-CB 3.46Å; D679-T681 WeakPolarHBondContact OD1-CG2 3.49Å; D679-T681 PolarHBondContact OD1-N 3.2Å; D679-T681 PolarHBondContact OD1-OG1 3.24Å
682D41.5Very low42.5Very low126 Ų126103 Ų10367%0.67457%0.567SS**  trans-44.3114.6169.5-107.6-14.7000109.3F680F680-D682 VanDerWaalsContact C-N 3.26Å
683P35.7Very low42.7Very low102 Ų102103.3 Ų103.366%0.66257%0.571SS**  trans-66.9143.7-164.623.3-33.5000111.7
684T33.5Very low42.4Very low90 Ų90106.5 Ų106.555%0.55258%0.58SS**  trans-53.3128.2158.5-67.90000106.8L686T684-L686 PolarHBondContact O-N 3.24Å
685P29.7Very low42.2Very low116 Ų116111.2 Ų111.275%0.75361%0.61SS**  trans-59.8107.6-175.222.2-33.3000109.2L687P685-L687 PolarHBondContact O-N 3.47Å
686L32Very low41.3Very low156 Ų156114 Ų11482%0.81763%0.627SS**PPolyproline II helixtrans-59.6134.2176.4-68.8170.3000108.3T684T684-L686 PolarHBondContact O-N 3.24Å
687L36.1Very low40.1Very low158 Ų158120.4 Ų120.483%0.82766%0.66SS**PPolyproline II helixtrans-57.5139167.2-70.1170.9000108.2P685P685-L687 PolarHBondContact O-N 3.47Å
688P34.4Very low38.9Very low112 Ų112123.8 Ų123.873%0.72768%0.683SS**PPolyproline II helixtrans-53.7136.6176.3-25.534.3000110.3L690P688-L690 PolarHBondContact O-N 3.28Å
689P33.8Very low37.3Very low118 Ų118127.9 Ų127.977%0.76671%0.711SS**PPolyproline II helixtrans-59.5134.7-179.224.2-33.5000110.1Q691P689-Q691 PolarHBondContact O-N 3.33Å
690L35.4Very low35.8Very low171 Ų171135.2 Ų135.290%0.89573%0.733SS**  trans-55112.6-179.8-79.6164.4000110.3P688 H692P688-L690 PolarHBondContact O-N 3.28Å; L690-H692 PolarHBondContact O-N 3.19Å
691Q32.7Very low34.2Very low187 Ų187145.9 Ų145.987%0.87477%0.773SS**  trans-70.6115.2172-71-174.8-19.500108.9P689P689-Q691 PolarHBondContact O-N 3.33Å
692H32.7Very low33Very low180 Ų180149.3 Ų149.383%0.83379%0.787SS**PPolyproline II helixtrans-58.2127.8168.1-71-86.3000109.5L690 K694L690-H692 PolarHBondContact O-N 3.19Å; H692-K694 PolarHBondContact O-N 2.73Å
693P33.7Very low32.5Very low128 Ų128150.6 Ų150.683%0.83179%0.792SS**PPolyproline II helixtrans-69.2121.4-176.826.8-33.6000110.8
694K32.6Very low32.2Very low198 Ų198151.5 Ų151.586%0.86180%0.798SS**PPolyproline II helixtrans-85.3147.4157.5-79.2-175.1175.5179.80109.2H692H692-K694 PolarHBondContact O-N 2.73Å
695P41.6Very low31.9Very low113 Ų113152 Ų15273%0.73481%0.812SS**  trans-84.9178.1-162.734.7-38.8000114.3
696L31.2Very low31.9Very low153 Ų153152.3 Ų152.380%0.80182%0.816SS**  trans75103.2159.6-84.7154.4000118.2
697I30.2Very low31.7Very low154 Ų154149.7 Ų149.779%0.7982%0.817SS**  170.5132.8107.3-85.5153.4000109.6
698T27.3Very low31.4Very low131 Ų131151.2 Ų151.280%0.80482%0.82SS**PPolyproline II helixtrans-95.8121.1177.437.70000112
699P30Very low31.6Very low112 Ų112152 Ų15273%0.72783%0.825SS**PPolyproline II helixtrans-74.8132.5169.130.3-32.2000110.3
700R28.8Very low31.5Very low233 Ų233151.7 Ų151.788%0.87983%0.833SS**PPolyproline II helixtrans-78.5137.8177.3-64.8175173.4-178.9-4.3110.7
701W28.5Very low31.1Very low244 Ų244146.9 Ų146.992%0.92482%0.824SS**  trans-107.3139.4157.3-75.993.9000109.4
702I31.7Very low30.9Very low153 Ų153145.2 Ų145.279%0.78582%0.82SS**  trans-106.3127.8-175.2-61.7173.2000108.4
703I30.1Very low30.7Very low153 Ų153144.7 Ų144.779%0.78582%0.816SS**  trans-109.7130.9170.6-58.9176.6000107.4
704P29.6Very low30.5Very low121 Ų121143.7 Ų143.779%0.78681%0.808SS**PPolyproline II helixtrans-64.4134.8175-20.933.4000111.7
705A28.2Very low30.3Very low102 Ų102141.7 Ų141.784%0.84381%0.807SS**PPolyproline II helixtrans-82.3143.2-178.300000112.8
706S28.2Very low29.7Very low122 Ų122140 Ų14085%0.85381%0.81SS**PPolyproline II helixtrans-77.2153.9158.549.10000110.5
707A29.6Very low29.5Very low101 Ų101140.3 Ų140.384%0.83581%0.812SS**PPolyproline II helixtrans-90.2138.7-166.900000114.4
708Q29.5Very low29.4Very low189 Ų189138.7 Ų138.788%0.88381%0.808SS**  trans-146.9138.9152.2-77.2-163.8-28.400110.7
709P38.8Very low29.5Very low130 Ų130138.7 Ų138.784%0.84480%0.804SS**  trans-88.3166.3159.735.6-31.4000111.7
710A30.1Very low29.4Very low111 Ų111140 Ų14092%0.91780%0.801SS**  trans-77.2155.8-168.500000115.7
711G28.4Very low29.2Very low70 Ų70136.4 Ų136.472%0.72280%0.795SS**  trans-17569.617700000118.8
712L28.2Very low30.2Very low151 Ų151129.4 Ų129.479%0.79178%0.781SS**  trans62.9148.4143.2-72.6160000124
713F27.6Very low30Very low169 Ų169127 Ų12774%0.74178%0.777SS**  trans79.9105.9153-64.7-53000124.2
714T29.8Very low30Very low108 Ų108124.8 Ų124.866%0.66378%0.775SS**  74.9123.7127.553.20000125.2
715N29.3Very low29.9Very low156 Ų156128.4 Ų128.483%0.83478%0.779SS**  75.6101.3128.8-61.60.5000122.9
716G28.9Very low29.8Very low78 Ų78129.8 Ų129.880%0.80478%0.777SS**  trans82.2168135.500000118.6
717L26Very low29.8Very low159 Ų159127.8 Ų127.883%0.83277%0.767SS**  cis-161.3106.1-17.4-179.565.3000110.9
718V29.8Very low29.5Very low119 Ų119130.6 Ų130.672%0.72177%0.768SS**  trans54.4107.3136.4172.10000120.7
719D28.1Very low29.4Very low132 Ų132128.5 Ų128.571%0.70676%0.762SS**  85.5158.5127.9-103.6-45.7000127.4
720M27.7Very low29Very low138 Ų138129.8 Ų129.868%0.6876%0.76SS**  trans65.7118.9150.3-69.1-75.798.800123.3
721E25.6Very low30.2Very low159 Ų159129.8 Ų129.874%0.74375%0.751SS**  34.5163.5107.2-80.6-133.6132.300122.5
722P50Low31Very low97 Ų97131.7 Ų131.763%0.6375%0.751SS**  cis-138-178-18.532.4-11.5000115.3
723S27.1Very low31.2Very low101 Ų101128.5 Ų128.571%0.70675%0.746SS**  trans22.2128.2143.7-178.90000120.9
724S28.7Very low31.3Very low107 Ų107128.3 Ų128.375%0.74875%0.753SS**  176.4126.2108.1-77.70000116.8
725K28.1Very low31.3Very low198 Ų198127.1 Ų127.186%0.86176%0.762SS**  trans31.8137.2131.7-84.6179.7178.6175.90123.3
726V26.9Very low31.3Very low131 Ų131123.7 Ų123.779%0.79476%0.764SS**  trans91.991.6138.2173.70000120
727A27.6Very low31.4Very low80 Ų80124.6 Ų124.666%0.66176%0.763SS**  77.6131.5114.900000124.8
728L24.1Very low31.6Very low160 Ų160123.6 Ų123.684%0.83876%0.764SS**  trans88.1140.9133-82.1168.7000123.1
729L27.5Very low31.8Very low145 Ų145125.7 Ų125.776%0.75977%0.77SS**  trans8092154.8-65.1159.2000121.8
730L29.7Very low33Very low156 Ų156124.6 Ų124.682%0.81777%0.77SS**  24.6152.4113.2-68.6165.2000121
731P55.5Low33.1Very low112 Ų112123.8 Ų123.873%0.72778%0.778SS**  cis-121.1-93.2-42.530.2-8.8000111.1
732P45.7Very low33.3Very low109 Ų109120.5 Ų120.571%0.70878%0.778SS**  cis-126.4179-24.541.7-25.2000116.4
733A31.7Very low33.4Very low84 Ų84121.6 Ų121.669%0.69479%0.785SS**  trans75.5123.3144.400000124.6
734D30.4Very low33.5Very low166 Ų166120.4 Ų120.489%0.88878%0.782SS**  trans56.8122.8135.2-59.1-19.1000125.5
735G29.8Very low33.7Very low82 Ų82123.3 Ų123.385%0.84578%0.783SS**  126.6140.3100.700000119.2
736G28.6Very low33.9Very low85 Ų85121.4 Ų121.488%0.87678%0.781SS**  trans121.489.2151.700000118.9
737A31Very low33.9Very low96 Ų96119.2 Ų119.279%0.79378%0.777SS**  trans-56.7174.9174.500000118.1
738V30.9Very low34.1Very low139 Ų139124.3 Ų124.384%0.84279%0.787SS**  trans152.8143.7133.3164.20000113.1
739L34.1Very low35.4Very low162 Ų162122 Ų12285%0.84878%0.781SS**  trans-113.8-173.1177.4-79.1167.5000109.5
740P52.3Low35.7Very low110 Ų110125.6 Ų125.671%0.71479%0.785SS**  cis-136.2-177.4-0.942.4-25.3000115.4
741S29.3Very low35.8Very low120 Ų120125.2 Ų125.284%0.83978%0.784SS**  151.4161122.960.40000114.9
742A30.5Very low34.6Very low91 Ų91124.1 Ų124.175%0.75278%0.784SS**  trans-140.9-163.5-174.400000108.1
743P50.9Low34Very low119 Ų119126.6 Ų126.677%0.77379%0.79SS**  cis-144.6-151.610.345.6-23.5000115.6
744A31.3Very low34Very low77 Ų77127.8 Ų127.864%0.63679%0.794SS**  trans107.9109164.500000116.1
745H31.8Very low34.1Very low168 Ų168124.7 Ų124.778%0.77879%0.785SS**  79.7138.676.3-66.3-45.7000113.8
746L32.1Very low34.2Very low157 Ų157126 Ų12682%0.82278%0.782SS**  cis-168.2173.5-16.3-125.8172.8000110.1
747A27.6Very low34.4Very low86 Ų86126.1 Ų126.171%0.71177%0.774SS**  trans93.7139.5155.900000122.8
748H32.1Very low34.4Very low186 Ų186129.1 Ų129.186%0.86178%0.777SS**  trans-115.6-166.2169.5-81.3-18.6000107.5
749P51.4Low34.4Very low111 Ų111128.9 Ų128.972%0.72178%0.775SS**  cis-153.217813.646.1-24.4000121.2
750R33.1Very low34.2Very low221 Ų221129.6 Ų129.683%0.83477%0.774SS**  trans66.6122.2139.3-84.5173.7171.8166.1-2.8125
751N31.8Very low34.1Very low148 Ų148129.3 Ų129.379%0.79177%0.773SS**  41.3133.1123.4-52.613000123
752A31.2Very low35Very low89 Ų89128.6 Ų128.674%0.73677%0.765SS**  167.2132.895.800000117.7
753L33.1Very low35.1Very low161 Ų161130.1 Ų130.184%0.84377%0.765SS**  trans53148.9136.5-70164.8000126.4
754S31.7Very low34.1Very low109 Ų109131.9 Ų131.976%0.76276%0.764SS**  trans69150.5151.336.10000121
755S31.3Very low34Very low101 Ų101135.7 Ų135.771%0.70677%0.769SS**  cis-171145.1-16.1500000114.1
756S31.8Very low33.8Very low111 Ų111135.5 Ų135.578%0.77677%0.774SS**  trans53.4138139.868.10000125.4
757A33.7Very low33.8Very low87 Ų87131.2 Ų131.272%0.71977%0.767SS**  trans111.1112.8130.800000121.9
758D30.1Very low34Very low159 Ų159131.6 Ų131.685%0.8577%0.771SS**  77.4163.7128.7-90.3-52.9000126.2
759V30.2Very low34.1Very low134 Ų134132.3 Ų132.381%0.81277%0.771SS**  trans90.794.8164.6-163.60000119.5
760Q31.1Very low33.8Very low177 Ų177131.9 Ų131.983%0.82777%0.769SS**  trans-85.9174.6142.3-113.8-168.8-3.700109.4
761P50Low33.7Very low104 Ų104133.3 Ų133.368%0.67577%0.774SS**  cis-129.3-138.27.236-11.2000109.7
762P49.2Very low33.6Very low105 Ų105129.4 Ų129.468%0.68277%0.769SS**  cis-129.4147.2-18.543.9-27.4000115.1
763V31.1Very low33.5Very low123 Ų123132.7 Ų132.775%0.74577%0.773SS**  78.7134.695.1-178.70000117.3
764M29.6Very low33.4Very low155 Ų155132.1 Ų132.176%0.76477%0.77SS**  trans71.4151.2160.7-84.716485.300119
765E29.2Very low33.5Very low158 Ų158132.1 Ų132.174%0.73877%0.766SS**  cis-157.2158-13.4-149.8176.8-178.200111.9
766D29.1Very low33.6Very low164 Ų164132.3 Ų132.388%0.87776%0.763SS**  trans55.9175.8158.3-149-2.5000118.8
767G30.8Very low33.8Very low66 Ų66135.2 Ų135.268%0.6876%0.764SS**  trans130.949.4169.300000118.2
768A33.5Very low33.9Very low95 Ų95142.8 Ų142.879%0.78579%0.791SS**  trans39.6114.3151.800000121.5
769K32.8Very low34.1Very low201 Ų201142 Ų14287%0.87479%0.788SS**  trans-42.2149.1145-79.1175180172.30111.3
770P44.6Very low34.3Very low102 Ų102142.4 Ų142.466%0.66279%0.787SS**  -159.9163.666.343.2-23000120.2
771R31.9Very low34.5Very low250 Ų250140.5 Ų140.594%0.94379%0.785SS**  trans66.4138.2161.4-61.5154.7-173.8-168.71.9116
772G29.8Very low33.6Very low67 Ų67142.6 Ų142.669%0.69179%0.791SS**  cis171.4174.1-9.500000112.9
773L29.6Very low32.6Very low157 Ų157145 Ų14582%0.82280%0.798SS**  trans50.9120.9153.8-72.4165000120.2
774L29.4Very low32.7Very low149 Ų149146.5 Ų146.578%0.7880%0.802SS**  trans72144.6151.9-54.7165.4000114.9
775T33.9Very low33Very low110 Ų110145.9 Ų145.968%0.67581%0.805SS**  cis-155.2163.72.711.20000110.5
776T34.5Very low33.2Very low105 Ų105144.9 Ų144.964%0.64481%0.81SS**  trans49.2128.5148.8540000122.1
777E35.6Very low33.6Very low171 Ų171143.3 Ų143.380%0.79980%0.804SS**  trans65.6102.3137.6-65.5164.5-13500119.1
778L36.7Very low33.8Very low247 Ų247150.4 Ų150.4100%1.29382%0.815SS**  -152.4084.5-97.8163000111.3

Retrieved 778 of 778 residues in 1272.3 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).