A0A087Y3S2_POEFO Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase

Converts 1-acyl-sn-glycerol-3-phosphate (lysophosphatidic acid or LPA) into 1,2-diacyl-sn-glycerol-3-phosphate (phosphatidic acid or PA) by incorporating an acyl moiety at the sn-2 position of the glycerol backbone.

AlphaFold DB , UniProt , Accession A0A087Y3S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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
1M59Low79.9Confident186 Ų186119.1 Ų119.192%0.91662%0.619SS**  0-0.50-87.1159.153.300112
2D78.2Confident80.4Confident122 Ų122116 Ų11665%0.65260%0.603SS**Hα-helixtrans-88.6-33.2-163.9-49.9-70.5000113.9A4 W5 M6D2-A4 PolarHBondContact O-N 2.66Å; D2-W5 PolarHBondContact O-N 2.9Å; D2-M6 WeakPolarHBondContact O-CG 3.36Å; D2-M6 PolarHBondContact O-N 2.69Å; D2-M6 VanDerWaalsContact O-N 3.08Å
3V82.4Confident81Confident103 Ų103113.7 Ų113.762%0.62459%0.585SS**Hα-helixtrans-68.2-36.5-179.6-175.90000112M6 L7V3-M6 PolarHBondContact O-N 3.39Å; V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 HydrophobicContact CG1-CG 4.4Å; V3-L7 WeakPolarHBondContact O-CB 3.31Å; V3-L7 VanDerWaalsContact O-CG 3.32Å; V3-L7 WeakPolarHBondContact O-CG 3.38Å; V3-L7 PolarHBondContact O-N 3.13Å
4A81.3Confident81.4Confident60 Ų60110.8 Ų110.850%0.49658%0.577SS.*Hα-helixtrans-67.3-41.1179.500000112.1D2 L7 L8D2-A4 PolarHBondContact O-N 2.66Å; A4-L7 PolarHBondContact O-N 3.38Å; A4-L8 WeakPolarHBondContact O-CB 3.39Å; A4-L8 PolarHBondContact O-N 3.08Å
5W81.3Confident81.8Confident166 Ų166110.1 Ų110.163%0.62957%0.574SS**Hα-helixtrans-66.5-39174-74.9118.1000112.2D2 L8 L9D2-W5 PolarHBondContact O-N 2.9Å; W5-L8 HydrophobicContact CE3-CD1 4.33Å; W5-L8 PolarHBondContact O-N 2.81Å; W5-L9 WeakPolarHBondContact O-CB 2.94Å; W5-L9 VanDerWaalsContact O-CG 3.32Å; W5-L9 WeakPolarHBondContact O-CG 3.31Å; W5-L9 PolarHBondContact O-N 3.29Å
6M81Confident82.2Confident121 Ų121106.4 Ų106.460%0.59656%0.555SS**Hα-helixtrans-63.1-43.7173.6-72.2-178.968.800112.2D2 V3 L9 L10D2-M6 WeakPolarHBondContact O-CG 3.36Å; D2-M6 PolarHBondContact O-N 2.69Å; D2-M6 VanDerWaalsContact O-N 3.08Å; V3-M6 PolarHBondContact O-N 3.39Å; M6-L9 PolarHBondContact O-N 3.17Å; M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 VanDerWaalsContact O-CG 3.25Å; M6-L10 WeakPolarHBondContact O-CG 3.08Å; M6-L10 PolarHBondContact O-N 2.73Å
7L82.8Confident82.4Confident96 Ų96103.6 Ų103.650%0.50354%0.539SS..Hα-helixtrans-64.5-40.8176.2-74.1168.8000112.1V3 A4 L10 L11V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 HydrophobicContact CG1-CG 4.4Å; V3-L7 WeakPolarHBondContact O-CB 3.31Å; V3-L7 VanDerWaalsContact O-CG 3.32Å; V3-L7 WeakPolarHBondContact O-CG 3.38Å; V3-L7 PolarHBondContact O-N 3.13Å; A4-L7 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 3.05Å; L7-L11 WeakPolarHBondContact O-CG 3.31Å; L7-L11 PolarHBondContact O-N 2.79Å
8L82.6Confident82.6Confident103 Ų103110.6 Ų110.654%0.53956%0.558SS.*Hα-helixtrans-60.5-45.1173.5-97.7151.2000111.9A4 W5 L11 L12A4-L8 WeakPolarHBondContact O-CB 3.39Å; A4-L8 PolarHBondContact O-N 3.08Å; W5-L8 HydrophobicContact CE3-CD1 4.33Å; W5-L8 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 3.11Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 PolarHBondContact O-N 3.36Å
9L79.7Confident82.9Confident112 Ų112109.5 Ų109.559%0.58656%0.557SS**Hα-helixtrans-65.2-40.3176.2-72.7170.2000112.1W5 M6 L11 L12 F13W5-L9 WeakPolarHBondContact O-CB 2.94Å; W5-L9 VanDerWaalsContact O-CG 3.32Å; W5-L9 WeakPolarHBondContact O-CG 3.31Å; W5-L9 PolarHBondContact O-N 3.29Å; M6-L9 PolarHBondContact O-N 3.17Å; L9-L11 VanDerWaalsContact C-N 3.27Å; L9-L11 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 3.07Å; L9-F13 PolarHBondContact O-N 2.84Å; L9-F13 VanDerWaalsContact O-N 3.13Å
10L84.8Confident83.4Confident115 Ų115105.9 Ų105.960%0.60254%0.542SS*.Hα-helixtrans-63.3-31176.7-79.1167.4000112.8M6 L7 P14M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 VanDerWaalsContact O-CG 3.25Å; M6-L10 WeakPolarHBondContact O-CG 3.08Å; M6-L10 PolarHBondContact O-N 2.73Å; L7-L10 PolarHBondContact O-N 3.05Å; L10-P14 WeakPolarHBondContact O-CD 3.18Å; L10-P14 VanDerWaalsContact O-CG 3.25Å; L10-P14 WeakPolarHBondContact O-CG 3.31Å
11L85.5Confident83.6Confident126 Ų126104.7 Ų104.766%0.6654%0.544SS*.Hα-helixtrans-88.5-35.8177.1-67.9172.4000112.7L7 L8 L9 P14 L15L7-L11 WeakPolarHBondContact O-CG 3.31Å; L7-L11 PolarHBondContact O-N 2.79Å; L8-L11 PolarHBondContact O-N 3.11Å; L9-L11 VanDerWaalsContact C-N 3.27Å; L9-L11 PolarHBondContact O-N 3.33Å; L11-P14 WeakPolarHBondContact O-CD 3.39Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.03Å
12L86.6Confident85.2Confident82 Ų8298.2 Ų98.243%0.42952%0.515SS..Hα-helixtrans-66-38.7-179.8-178.164.3000111.9L8 L9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L16 HydrophobicContact CD1-CD1 4.15Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CD2-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 3.88Å; L12-L16 HydrophobicContact CG-CG 4.25Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.39Å
13F87.7Confident85.9Confident86 Ų8695.3 Ų95.338%0.37750%0.496SS..Hα-helixtrans-65-52.4-177.6178-87000113.2L9 L15 L16 M17 F23 F27L9-F13 PolarHBondContact O-N 2.84Å; L9-F13 VanDerWaalsContact O-N 3.13Å; F13-L15 VanDerWaalsContact C-N 3.28Å; F13-L15 PolarHBondContact O-N 3.02Å; F13-L16 PolarHBondContact O-N 2.88Å; F13-M17 HydrophobicContact CD1-CG 4.2Å; F13-M17 HydrophobicContact CE1-CG 3.75Å; F13-M17 HydrophobicContact CE2-CG 4.4Å; F13-M17 HydrophobicContact CZ-CG 3.85Å; F13-M17 HydrophobicContact CZ-SD 4.17Å; F13-M17 WeakPolarHBondContact O-CG 3.3Å; F13-M17 PolarHBondContact O-N 3.34Å; F13-F23 AromaticContact CD2-CE1 3.97Å; F13-F23 HydrophobicContact CD2-CE1 3.97Å; F13-F23 AromaticContact CD2-CZ 3.76Å; F13-F23 HydrophobicContact CD2-CZ 3.76Å; F13-F23 AromaticContact CE2-CE1 3.81Å; F13-F23 HydrophobicContact CE2-CE1 3.81Å; F13-F23 AromaticContact CE2-CZ 3.79Å; F13-F23 HydrophobicContact CE2-CZ 3.79Å; F13-F27 AromaticContact CE2-CD2 3.74Å; F13-F27 HydrophobicContact CE2-CD2 3.74Å; F13-F27 AromaticContact CE2-CE2 3.61Å; F13-F27 HydrophobicContact CE2-CE2 3.61Å; F13-F27 HydrophobicContact CE2-CG 4.45Å; F13-F27 HydrophobicContact CE2-CZ 4.22Å; F13-F27 AromaticContact CZ-CD2 3.96Å; F13-F27 HydrophobicContact CZ-CD2 3.96Å; F13-F27 HydrophobicContact CZ-CE1 4.16Å; F13-F27 AromaticContact CZ-CE2 3.55Å; F13-F27 HydrophobicContact CZ-CE2 3.55Å; F13-F27 HydrophobicContact CZ-CG 4.43Å; F13-F27 AromaticContact CZ-CZ 3.66Å; F13-F27 HydrophobicContact CZ-CZ 3.66Å
14P86.6Confident86.4Confident73 Ų7391.3 Ų91.347%0.47447%0.472SS..Hα-helixtrans-58.7-39173.1-23.933.8000112.7L10 L11 M17 W18L10-P14 WeakPolarHBondContact O-CD 3.18Å; L10-P14 VanDerWaalsContact O-CG 3.25Å; L10-P14 WeakPolarHBondContact O-CG 3.31Å; L11-P14 WeakPolarHBondContact O-CD 3.39Å; P14-M17 PolarHBondContact O-N 3.34Å; P14-W18 WeakPolarHBondContact O-CB 3.19Å; P14-W18 PolarHBondContact O-N 3.38Å
15L87.8Confident87.1Confident100 Ų10088.6 Ų88.652%0.52445%0.449SS..Hα-helixtrans-60.9-46.9176.7-178.467.9000111.5L11 L12 F13 W18 T19L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.16Å; F13-L15 VanDerWaalsContact C-N 3.28Å; F13-L15 PolarHBondContact O-N 3.02Å; L15-W18 PolarHBondContact O-N 2.75Å; L15-T19 HydrophobicContact CD1-CG2 3.89Å; L15-T19 HydrophobicContact CG-CG2 4.41Å; L15-T19 WeakPolarHBondContact O-CB 3.35Å; L15-T19 WeakPolarHBondContact O-CG2 3.2Å; L15-T19 PolarHBondContact O-N 2.91Å; L15-T19 PolarHBondContact O-OG1 3.13Å
16L87.5Confident87.8Confident52 Ų5286.3 Ų86.327%0.27244%0.441SS..Hα-helixtrans-66.3-37.7177.3-73.2173.9000112.3L12 F13 W18 S20 F23L12-L16 HydrophobicContact CD1-CD1 4.15Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CD2-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 3.88Å; L12-L16 HydrophobicContact CG-CG 4.25Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.39Å; F13-L16 PolarHBondContact O-N 2.88Å; L16-W18 VanDerWaalsContact C-N 3.25Å; L16-W18 PolarHBondContact O-N 3.37Å; L16-S20 WeakPolarHBondContact O-CB 3.43Å; L16-S20 PolarHBondContact O-N 3.31Å; L16-F23 HydrophobicContact CB-CB 4.39Å; L16-F23 HydrophobicContact CB-CD1 3.64Å; L16-F23 HydrophobicContact CB-CD2 4.26Å; L16-F23 HydrophobicContact CB-CE1 3.9Å; L16-F23 HydrophobicContact CB-CE2 4.49Å; L16-F23 HydrophobicContact CB-CG 3.83Å; L16-F23 HydrophobicContact CB-CZ 4.33Å; L16-F23 HydrophobicContact CD1-CD2 4.08Å; L16-F23 HydrophobicContact CD1-CE2 3.97Å; L16-F23 HydrophobicContact CD1-CG 4.48Å; L16-F23 HydrophobicContact CD1-CZ 4.28Å
17M86.9Confident88.5Confident58 Ų5884 Ų8429%0.28643%0.428SS..Hα-helixtrans-63-32173.2-74.7-63.7-65.900112.5F13 P14 F23 V24 F27F13-M17 HydrophobicContact CD1-CG 4.2Å; F13-M17 HydrophobicContact CE1-CG 3.75Å; F13-M17 HydrophobicContact CE2-CG 4.4Å; F13-M17 HydrophobicContact CZ-CG 3.85Å; F13-M17 HydrophobicContact CZ-SD 4.17Å; F13-M17 WeakPolarHBondContact O-CG 3.3Å; F13-M17 PolarHBondContact O-N 3.34Å; P14-M17 PolarHBondContact O-N 3.34Å; M17-F23 HydrophobicContact CG-CD1 4.22Å; M17-F23 HydrophobicContact CG-CE1 3.9Å; M17-F23 HydrophobicContact SD-CD1 3.83Å; M17-F23 HydrophobicContact SD-CE1 3.71Å; M17-V24 HydrophobicContact CE-CG1 4.34Å; M17-V24 HydrophobicContact CE-CG2 4.07Å; M17-V24 WeakPolarHBondContact O-CG2 3.19Å; M17-V24 HydrophobicContact SD-CG2 3.91Å; M17-F27 HydrophobicContact CE-CD1 4.17Å; M17-F27 HydrophobicContact SD-CB 4.36Å; M17-F27 HydrophobicContact SD-CD1 3.97Å; M17-F27 HydrophobicContact SD-CG 4.2Å
18W86.3Confident89.1Confident230 Ų23081.3 Ų81.387%0.87141%0.412SS*.Hα-helixtrans-81.4-41.1177.5-174.2-79.5000112.8P14 L15 L16P14-W18 WeakPolarHBondContact O-CB 3.19Å; P14-W18 PolarHBondContact O-N 3.38Å; L15-W18 PolarHBondContact O-N 2.75Å; L16-W18 VanDerWaalsContact C-N 3.25Å; L16-W18 PolarHBondContact O-N 3.37Å
19T87.3Confident89.7Confident89 Ų8980.1 Ų80.155%0.54640%0.402SS..Hα-helixtrans-98.1-21.1-166.156.50000114.5L15L15-T19 HydrophobicContact CD1-CG2 3.89Å; L15-T19 HydrophobicContact CG-CG2 4.41Å; L15-T19 WeakPolarHBondContact O-CB 3.35Å; L15-T19 WeakPolarHBondContact O-CG2 3.2Å; L15-T19 PolarHBondContact O-N 2.91Å; L15-T19 PolarHBondContact O-OG1 3.13Å
20S92Very high90.5Very high38 Ų3881.9 Ų81.927%0.26641%0.405SS..  trans-124.9103.9-171.8-1790000112.6L16 T22 F23 V24L16-S20 WeakPolarHBondContact O-CB 3.43Å; L16-S20 PolarHBondContact O-N 3.31Å; S20-T22 PolarHBondContact O-N 2.91Å; S20-F23 PolarHBondContact O-N 3.35Å; S20-F23 VanDerWaalsContact O-N 3.13Å; S20-F23 PolarHBondContact OG-N 3.11Å; S20-V24 WeakPolarHBondContact O-CG2 3.31Å; S20-V24 PolarHBondContact O-N 3.3Å
21S88.1Confident91.1Very high81 Ų8179.7 Ų79.757%0.56639%0.391SS*.Hα-helixtrans-56.8-36.5172.757.70000112.5V24 F25S21-V24 PolarHBondContact O-N 2.94Å; S21-F25 WeakPolarHBondContact O-CB 3.49Å; S21-F25 PolarHBondContact O-N 2.96Å
22T92.7Very high91.7Very high50 Ų5074.4 Ų74.431%0.30736%0.363SS..Hα-helixtrans-62.8-46176.1-73.20000111.9S20 F25 Y26 K215S20-T22 PolarHBondContact O-N 2.91Å; T22-F25 PolarHBondContact O-N 3.42Å; T22-Y26 HydrophobicContact CG2-CD2 3.85Å; T22-Y26 HydrophobicContact CG2-CE2 3.76Å; T22-Y26 VanDerWaalsContact O-CD2 3.22Å; T22-Y26 WeakPolarHBondContact O-CD2 3.29Å; T22-Y26 PolarHBondContact O-N 3.26Å; T22-Y26 VanDerWaalsContact O-N 3.12Å; T22-K215 HydrophobicContact CG2-CD 3.7Å; T22-K215 VanDerWaalsContact OG1-CD 3.29Å; T22-K215 WeakPolarHBondContact OG1-CD 3.36Å
23F93.3Very high92.1Very high61 Ų6173.9 Ų73.927%0.26836%0.363SS..Hα-helixtrans-62.5-49177.6-179.7-96.7000110.6F13 L16 M17 S20 F25 Y26 F27F13-F23 AromaticContact CD2-CE1 3.97Å; F13-F23 HydrophobicContact CD2-CE1 3.97Å; F13-F23 AromaticContact CD2-CZ 3.76Å; F13-F23 HydrophobicContact CD2-CZ 3.76Å; F13-F23 AromaticContact CE2-CE1 3.81Å; F13-F23 HydrophobicContact CE2-CE1 3.81Å; F13-F23 AromaticContact CE2-CZ 3.79Å; F13-F23 HydrophobicContact CE2-CZ 3.79Å; L16-F23 HydrophobicContact CB-CB 4.39Å; L16-F23 HydrophobicContact CB-CD1 3.64Å; L16-F23 HydrophobicContact CB-CD2 4.26Å; L16-F23 HydrophobicContact CB-CE1 3.9Å; L16-F23 HydrophobicContact CB-CE2 4.49Å; L16-F23 HydrophobicContact CB-CG 3.83Å; L16-F23 HydrophobicContact CB-CZ 4.33Å; L16-F23 HydrophobicContact CD1-CD2 4.08Å; L16-F23 HydrophobicContact CD1-CE2 3.97Å; L16-F23 HydrophobicContact CD1-CG 4.48Å; L16-F23 HydrophobicContact CD1-CZ 4.28Å; M17-F23 HydrophobicContact CG-CD1 4.22Å; M17-F23 HydrophobicContact CG-CE1 3.9Å; M17-F23 HydrophobicContact SD-CD1 3.83Å; M17-F23 HydrophobicContact SD-CE1 3.71Å; S20-F23 PolarHBondContact O-N 3.35Å; S20-F23 VanDerWaalsContact O-N 3.13Å; S20-F23 PolarHBondContact OG-N 3.11Å; F23-F25 VanDerWaalsContact C-N 3.27Å; F23-F25 PolarHBondContact O-N 3.14Å; F23-Y26 PolarHBondContact O-N 3.3Å; F23-F27 HydrophobicContact CE1-CB 4.41Å; F23-F27 VanDerWaalsContact O-CB 3.32Å; F23-F27 WeakPolarHBondContact O-CB 3.21Å; F23-F27 PolarHBondContact O-N 2.88Å
24V93.3Very high92.6Very high18 Ų1871.2 Ų71.211%0.10936%0.357CS..Hα-helixtrans-54.4-44.7176.9174.40000111.2M17 S20 S21 F27 K28M17-V24 HydrophobicContact CE-CG1 4.34Å; M17-V24 HydrophobicContact CE-CG2 4.07Å; M17-V24 WeakPolarHBondContact O-CG2 3.19Å; M17-V24 HydrophobicContact SD-CG2 3.91Å; S20-V24 WeakPolarHBondContact O-CG2 3.31Å; S20-V24 PolarHBondContact O-N 3.3Å; S21-V24 PolarHBondContact O-N 2.94Å; V24-F27 PolarHBondContact O-N 3.46Å; V24-K28 HydrophobicContact CG1-CD 3.97Å; V24-K28 HydrophobicContact CG1-CG 4.36Å; V24-K28 WeakPolarHBondContact O-CB 3.41Å; V24-K28 WeakPolarHBondContact O-CG 3.27Å; V24-K28 PolarHBondContact O-N 3.43Å
25F95.3Very high93.1Very high3 Ų371.1 Ų71.11%0.01335%0.347CS..Hα-helixtrans-60.9-51.2178.8174.8-91000112.7S21 T22 F23 K28 K29 Y210 R212 K215 F217S21-F25 WeakPolarHBondContact O-CB 3.49Å; S21-F25 PolarHBondContact O-N 2.96Å; T22-F25 PolarHBondContact O-N 3.42Å; F23-F25 VanDerWaalsContact C-N 3.27Å; F23-F25 PolarHBondContact O-N 3.14Å; F25-K28 PolarHBondContact O-N 3.19Å; F25-K29 HydrophobicContact CE1-CD 4.1Å; F25-K29 HydrophobicContact CZ-CD 4.36Å; F25-K29 WeakPolarHBondContact O-CB 3.36Å; F25-K29 PolarHBondContact O-N 3.45Å; F25-Y210 AromaticContact CE2-CE2 3.9Å; F25-Y210 HydrophobicContact CE2-CE2 3.9Å; F25-R212 HydrophobicContact CZ-CG 4.32Å; F25-K215 HydrophobicContact CB-CB 4.01Å; F25-K215 WeakPolarHBondContact CB-O 3.32Å; F25-K215 HydrophobicContact CD1-CB 3.95Å; F25-K215 HydrophobicContact CD1-CG 4.3Å; F25-K215 VanDerWaalsContact CD2-C 3.43Å; F25-K215 HydrophobicContact CD2-CB 4.39Å; F25-K215 HydrophobicContact CG-CB 3.86Å; F25-F217 HydrophobicContact CD2-CB 3.77Å; F25-F217 HydrophobicContact CE2-CB 4.43Å
26Y95.9Very high93.6Very high118 Ų11867.9 Ų67.946%0.46333%0.33SS..Hα-helixtrans-68.3-37.5-179.4-74.9-66.2000112T22 F23 K29 F30 K215T22-Y26 HydrophobicContact CG2-CD2 3.85Å; T22-Y26 HydrophobicContact CG2-CE2 3.76Å; T22-Y26 VanDerWaalsContact O-CD2 3.22Å; T22-Y26 WeakPolarHBondContact O-CD2 3.29Å; T22-Y26 PolarHBondContact O-N 3.26Å; T22-Y26 VanDerWaalsContact O-N 3.12Å; F23-Y26 PolarHBondContact O-N 3.3Å; Y26-K29 PolarHBondContact O-N 2.79Å; Y26-F30 VanDerWaalsContact O-CB 3.28Å; Y26-F30 WeakPolarHBondContact O-CB 3.48Å; Y26-F30 PolarHBondContact O-N 3.48Å; Y26-K215 HydrophobicContact CE2-CD 3.99Å
27F95.4Very high94.1Very high74 Ų7469.1 Ų69.133%0.32534%0.335SS..Hα-helixtrans-60-53.2173.7178.2-97.1000111.1F13 M17 F23 V24 K29 F30 F31F13-F27 AromaticContact CE2-CD2 3.74Å; F13-F27 HydrophobicContact CE2-CD2 3.74Å; F13-F27 AromaticContact CE2-CE2 3.61Å; F13-F27 HydrophobicContact CE2-CE2 3.61Å; F13-F27 HydrophobicContact CE2-CG 4.45Å; F13-F27 HydrophobicContact CE2-CZ 4.22Å; F13-F27 AromaticContact CZ-CD2 3.96Å; F13-F27 HydrophobicContact CZ-CD2 3.96Å; F13-F27 HydrophobicContact CZ-CE1 4.16Å; F13-F27 AromaticContact CZ-CE2 3.55Å; F13-F27 HydrophobicContact CZ-CE2 3.55Å; F13-F27 HydrophobicContact CZ-CG 4.43Å; F13-F27 AromaticContact CZ-CZ 3.66Å; F13-F27 HydrophobicContact CZ-CZ 3.66Å; M17-F27 HydrophobicContact CE-CD1 4.17Å; M17-F27 HydrophobicContact SD-CB 4.36Å; M17-F27 HydrophobicContact SD-CD1 3.97Å; M17-F27 HydrophobicContact SD-CG 4.2Å; F23-F27 HydrophobicContact CE1-CB 4.41Å; F23-F27 VanDerWaalsContact O-CB 3.32Å; F23-F27 WeakPolarHBondContact O-CB 3.21Å; F23-F27 PolarHBondContact O-N 2.88Å; V24-F27 PolarHBondContact O-N 3.46Å; F27-K29 VanDerWaalsContact C-N 3.31Å; F27-K29 PolarHBondContact O-N 2.99Å; F27-F30 PolarHBondContact O-N 3.12Å; F27-F31 WeakPolarHBondContact O-CB 3.48Å; F27-F31 PolarHBondContact O-N 3.07Å
28K95.9Very high94.6Very high38 Ų3871.2 Ų71.217%0.16534%0.343CS..Hα-helixtrans-59.9-41.6177.3-77-177.5177.2-176.30111.8V24 F25 F31 Y32 F73 F217V24-K28 HydrophobicContact CG1-CD 3.97Å; V24-K28 HydrophobicContact CG1-CG 4.36Å; V24-K28 WeakPolarHBondContact O-CB 3.41Å; V24-K28 WeakPolarHBondContact O-CG 3.27Å; V24-K28 PolarHBondContact O-N 3.43Å; F25-K28 PolarHBondContact O-N 3.19Å; K28-F31 PolarHBondContact O-N 3.08Å; K28-Y32 VanDerWaalsContact O-CB 3.27Å; K28-Y32 WeakPolarHBondContact O-CB 3.27Å; K28-Y32 PolarHBondContact O-N 3.21Å; K28-F73 HydrophobicContact CB-CD1 4.12Å; K28-F73 HydrophobicContact CB-CE1 3.91Å; K28-F73 HydrophobicContact CD-CD1 4.3Å; K28-F73 HydrophobicContact CG-CD1 4.21Å; K28-F73 HydrophobicContact CG-CE1 4.28Å; K28-F73 VanDerWaalsContact O-CE1 3.25Å; K28-F73 WeakPolarHBondContact O-CE1 3.3Å; K28-F217 HydrophobicContact CB-CD1 3.6Å; K28-F217 HydrophobicContact CB-CE1 4Å; K28-F217 HydrophobicContact CB-CG 4.29Å; K28-F217 HydrophobicContact CD-CB 4.2Å; K28-F217 HydrophobicContact CD-CD1 4.12Å; K28-F217 HydrophobicContact CD-CD2 4.46Å; K28-F217 HydrophobicContact CD-CG 3.99Å; K28-F217 VanDerWaalsContact CD-O 3.27Å; K28-F217 WeakPolarHBondContact CD-O 3.36Å; K28-F217 PolarHBondContact NZ-O 3.2Å
29K95.6Very high95.1Very high78 Ų7861 Ų6134%0.33931%0.305SS..Hα-helixtrans-65.7-43.2178.1-173.5-175.8178.3-166.90112F25 Y26 F27 Y32 V33F25-K29 HydrophobicContact CE1-CD 4.1Å; F25-K29 HydrophobicContact CZ-CD 4.36Å; F25-K29 WeakPolarHBondContact O-CB 3.36Å; F25-K29 PolarHBondContact O-N 3.45Å; Y26-K29 PolarHBondContact O-N 2.79Å; F27-K29 VanDerWaalsContact C-N 3.31Å; F27-K29 PolarHBondContact O-N 2.99Å; K29-Y32 PolarHBondContact O-N 2.82Å; K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 2.91Å
30F96.6Very high95.6Very high149 Ų14957 Ų5765%0.65428%0.281SS*.Hα-helixtrans-61.7-50.4174.9172.8-97.4000110.4Y26 F27 Y32 V33 A34Y26-F30 VanDerWaalsContact O-CB 3.28Å; Y26-F30 WeakPolarHBondContact O-CB 3.48Å; Y26-F30 PolarHBondContact O-N 3.48Å; F27-F30 PolarHBondContact O-N 3.12Å; F30-Y32 VanDerWaalsContact C-N 3.31Å; F30-Y32 PolarHBondContact O-N 3.05Å; F30-V33 PolarHBondContact O-N 2.65Å; F30-A34 HydrophobicContact CE1-CB 4.42Å; F30-A34 WeakPolarHBondContact O-CB 3.5Å; F30-A34 PolarHBondContact O-N 3.19Å
31F97.6Very high95.9Very high69 Ų6959.8 Ų59.830%0.30329%0.291SS..Hα-helixtrans-57.4-43.2176.9-178-106.5000111.8F27 K28 V33 A34 W35 L72 F73F27-F31 WeakPolarHBondContact O-CB 3.48Å; F27-F31 PolarHBondContact O-N 3.07Å; K28-F31 PolarHBondContact O-N 3.08Å; F31-V33 PolarHBondContact O-N 2.98Å; F31-A34 PolarHBondContact O-N 3.32Å; F31-W35 HydrophobicContact CE2-CE3 4.22Å; F31-W35 HydrophobicContact CZ-CD2 4.4Å; F31-W35 HydrophobicContact CZ-CE3 4.07Å; F31-W35 WeakPolarHBondContact O-CB 3.34Å; F31-W35 PolarHBondContact O-N 3.28Å; F31-L72 HydrophobicContact CE1-CB 4.14Å; F31-L72 HydrophobicContact CE1-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CD1 4.29Å; F31-F73 HydrophobicContact CD1-CE1 4.01Å; F31-F73 HydrophobicContact CD1-CE2 4.42Å; F31-F73 AromaticContact CD1-CZ 3.58Å; F31-F73 HydrophobicContact CD1-CZ 3.58Å; F31-F73 HydrophobicContact CE1-CZ 4.17Å
32Y97.3Very high96.4Very high16 Ų1658.5 Ų58.56%0.06328%0.28CS..Hα-helixtrans-56.9-51.8174.7177.2-100.5000111.7K28 K29 F30 W35 M36 V69 F73 S100 L101 L104K28-Y32 VanDerWaalsContact O-CB 3.27Å; K28-Y32 WeakPolarHBondContact O-CB 3.27Å; K28-Y32 PolarHBondContact O-N 3.21Å; K29-Y32 PolarHBondContact O-N 2.82Å; F30-Y32 VanDerWaalsContact C-N 3.31Å; F30-Y32 PolarHBondContact O-N 3.05Å; Y32-W35 PolarHBondContact O-N 2.92Å; Y32-M36 HydrophobicContact CD1-CG 4.47Å; Y32-M36 HydrophobicContact CD2-CG 4.39Å; Y32-M36 HydrophobicContact CE1-CG 4.16Å; Y32-M36 HydrophobicContact CE2-CG 4.08Å; Y32-M36 HydrophobicContact CE2-SD 4.37Å; Y32-M36 WeakPolarHBondContact O-CB 3.41Å; Y32-M36 WeakPolarHBondContact O-CG 3.24Å; Y32-M36 PolarHBondContact O-N 3.38Å; Y32-V69 HydrophobicContact CD2-CG1 4.23Å; Y32-V69 HydrophobicContact CE2-CG1 4.2Å; Y32-F73 HydrophobicContact CD2-CD2 4.46Å; Y32-F73 AromaticContact CD2-CE2 3.76Å; Y32-F73 HydrophobicContact CD2-CE2 3.76Å; Y32-F73 AromaticContact CD2-CZ 3.99Å; Y32-F73 HydrophobicContact CD2-CZ 3.99Å; Y32-F73 HydrophobicContact CG-CE2 4.49Å; Y32-F73 HydrophobicContact CG-CZ 4.27Å; Y32-S100 PolarHBondContact OH-O 3Å; Y32-L101 HydrophobicContact CD2-CD2 4.38Å; Y32-L101 HydrophobicContact CE2-CD2 4.1Å; Y32-L104 HydrophobicContact CE2-CD1 4.35Å; Y32-L104 HydrophobicContact CE2-CD2 4.21Å; Y32-L104 HydrophobicContact CE2-CG 4.42Å
33V96.1Very high96.6Very high70 Ų7056.1 Ų56.142%0.42427%0.265SS..Hα-helixtrans-65.8-45.2-179174.90000111.1K29 F30 F31 W35 M36 M37K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 2.91Å; F30-V33 PolarHBondContact O-N 2.65Å; F31-V33 PolarHBondContact O-N 2.98Å; V33-W35 VanDerWaalsContact C-N 3.34Å; V33-W35 PolarHBondContact O-N 3.11Å; V33-M36 PolarHBondContact O-N 3.12Å; V33-M37 HydrophobicContact CG1-CE 4.11Å; V33-M37 HydrophobicContact CG1-SD 4.39Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 3.09Å
34A97.2Very high96.9Very high31 Ų3154.3 Ų54.326%0.25626%0.258SS..Hα-helixtrans-59.7-44.7177.700000111.7F30 F31 M37 F38F30-A34 HydrophobicContact CE1-CB 4.42Å; F30-A34 WeakPolarHBondContact O-CB 3.5Å; F30-A34 PolarHBondContact O-N 3.19Å; F31-A34 PolarHBondContact O-N 3.32Å; A34-M37 PolarHBondContact O-N 2.8Å; A34-F38 WeakPolarHBondContact O-CB 3.49Å; A34-F38 PolarHBondContact O-N 3.02Å
35W97.9Very high97.1Very high71 Ų7156.4 Ų56.427%0.26927%0.272SS..Hα-helixtrans-65.5-43.1178-165.4-99.7000112F31 Y32 V33 M37 F38 L39 H68 L72F31-W35 HydrophobicContact CE2-CE3 4.22Å; F31-W35 HydrophobicContact CZ-CD2 4.4Å; F31-W35 HydrophobicContact CZ-CE3 4.07Å; F31-W35 WeakPolarHBondContact O-CB 3.34Å; F31-W35 PolarHBondContact O-N 3.28Å; Y32-W35 PolarHBondContact O-N 2.92Å; V33-W35 VanDerWaalsContact C-N 3.34Å; V33-W35 PolarHBondContact O-N 3.11Å; W35-M37 VanDerWaalsContact C-N 3.32Å; W35-M37 PolarHBondContact O-N 2.73Å; W35-F38 HydrophobicContact CE3-CD1 4.45Å; W35-F38 HydrophobicContact CH2-CE1 4.45Å; W35-F38 HydrophobicContact CZ3-CD1 4.39Å; W35-F38 PolarHBondContact O-N 3.01Å; W35-L39 WeakPolarHBondContact O-CG 3.43Å; W35-L39 PolarHBondContact O-N 3.48Å; W35-H68 AromaticContact CE2-NE2 3.9Å; W35-H68 AromaticContact CZ2-NE2 3.8Å; W35-H68 AromaticContact NE1-CE1 3.93Å; W35-H68 AromaticContact NE1-NE2 3.4Å; W35-H68 PolarHBondContact NE1-NE2 2.95Å; W35-L72 HydrophobicContact CD2-CD1 4.13Å; W35-L72 HydrophobicContact CG-CD1 4.19Å; W35-L72 HydrophobicContact CZ2-CD1 4.34Å
36M97.6Very high97.2Very high32 Ų3259.8 Ų59.816%0.15829%0.29CS..Hα-helixtrans-63.3-37.7175.2-68.4-61.4-68.800112.1Y32 V33 L39 A40 V66 V69 V103Y32-M36 HydrophobicContact CD1-CG 4.47Å; Y32-M36 HydrophobicContact CD2-CG 4.39Å; Y32-M36 HydrophobicContact CE1-CG 4.16Å; Y32-M36 HydrophobicContact CE2-CG 4.08Å; Y32-M36 HydrophobicContact CE2-SD 4.37Å; Y32-M36 WeakPolarHBondContact O-CB 3.41Å; Y32-M36 WeakPolarHBondContact O-CG 3.24Å; Y32-M36 PolarHBondContact O-N 3.38Å; V33-M36 PolarHBondContact O-N 3.12Å; M36-L39 HydrophobicContact SD-CD1 4.46Å; M36-A40 WeakPolarHBondContact O-CB 3.5Å; M36-A40 PolarHBondContact O-N 3.43Å; M36-V66 HydrophobicContact CE-CG1 4.16Å; M36-V66 HydrophobicContact CE-CG2 3.93Å; M36-V66 HydrophobicContact SD-CG1 4.33Å; M36-V66 HydrophobicContact SD-CG2 4.36Å; M36-V69 HydrophobicContact SD-CG2 4.39Å; M36-V103 HydrophobicContact CE-CG1 4.33Å
37M97Very high97.2Very high78 Ų7854.1 Ų54.138%0.38427%0.268SS..Hα-helixtrans-67.1-40.9173.8-72.6-172.1-56.500112.1V33 A34 W35 A40 I41 T127 V128V33-M37 HydrophobicContact CG1-CE 4.11Å; V33-M37 HydrophobicContact CG1-SD 4.39Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 3.09Å; A34-M37 PolarHBondContact O-N 2.8Å; W35-M37 VanDerWaalsContact C-N 3.32Å; W35-M37 PolarHBondContact O-N 2.73Å; M37-A40 WeakPolarHBondContact O-CB 3.4Å; M37-A40 PolarHBondContact O-N 2.91Å; M37-I41 VanDerWaalsContact O-CG1 3.29Å; M37-I41 WeakPolarHBondContact O-CG1 3.46Å; M37-I41 PolarHBondContact O-N 2.82Å; M37-T127 PolarHBondContact O-OG1 3.41Å; M37-V128 HydrophobicContact CG-CG2 4.02Å
38F97.9Very high97.3Very high102 Ų10254.6 Ų54.645%0.44727%0.273SS..Hα-helixtrans-61.5-48.7175.2170.5-104.5000111.5A34 W35 A40 I41 V42A34-F38 WeakPolarHBondContact O-CB 3.49Å; A34-F38 PolarHBondContact O-N 3.02Å; W35-F38 HydrophobicContact CE3-CD1 4.45Å; W35-F38 HydrophobicContact CH2-CE1 4.45Å; W35-F38 HydrophobicContact CZ3-CD1 4.39Å; W35-F38 PolarHBondContact O-N 3.01Å; F38-A40 PolarHBondContact O-N 3.44Å; F38-I41 WeakPolarHBondContact O-CB 2.92Å; F38-I41 PolarHBondContact O-N 2.94Å; F38-I41 VanDerWaalsContact O-N 3.12Å; F38-V42 HydrophobicContact CD2-CG2 4.42Å; F38-V42 HydrophobicContact CE1-CG2 4.29Å; F38-V42 HydrophobicContact CE2-CG2 3.94Å; F38-V42 HydrophobicContact CZ-CG2 3.87Å; F38-V42 WeakPolarHBondContact O-CG2 3.34Å; F38-V42 PolarHBondContact O-N 3.37Å
39L98.1Very high97.3Very high16 Ų1660.2 Ų60.28%0.08430%0.304CS..Hα-helixtrans-59.2-38.2174.5-67.8177.2000111.6W35 M36 V42 G43 M65 V66 V69W35-L39 WeakPolarHBondContact O-CG 3.43Å; W35-L39 PolarHBondContact O-N 3.48Å; M36-L39 HydrophobicContact SD-CD1 4.46Å; L39-V42 PolarHBondContact O-N 2.82Å; L39-G43 PolarHBondContact O-N 3.09Å; L39-M65 HydrophobicContact CB-CE 4.31Å; L39-M65 VanDerWaalsContact CD1-O 3.29Å; L39-M65 WeakPolarHBondContact CD1-O 3.32Å; L39-M65 HydrophobicContact CD2-CE 4.14Å; L39-M65 WeakPolarHBondContact O-CE 3.31Å; L39-V66 HydrophobicContact CD1-CG2 4.38Å; L39-V69 HydrophobicContact CD1-CG2 3.66Å
40A97.6Very high97.2Very high4 Ų462.4 Ų62.43%0.03331%0.314CS..Hα-helixtrans-63.7-44.2174.700000112.2M36 M37 F38 V42 G43 I44 V128 I131M36-A40 WeakPolarHBondContact O-CB 3.5Å; M36-A40 PolarHBondContact O-N 3.43Å; M37-A40 WeakPolarHBondContact O-CB 3.4Å; M37-A40 PolarHBondContact O-N 2.91Å; F38-A40 PolarHBondContact O-N 3.44Å; A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.09Å; A40-G43 PolarHBondContact O-N 3.25Å; A40-I44 VanDerWaalsContact O-CD1 3.29Å; A40-I44 WeakPolarHBondContact O-CD1 3.27Å; A40-I44 WeakPolarHBondContact O-CG1 3.08Å; A40-I44 PolarHBondContact O-N 2.96Å; A40-V128 HydrophobicContact CB-CG2 4.32Å; A40-I131 HydrophobicContact CB-CB 4.19Å; A40-I131 HydrophobicContact CB-CD1 4.4Å; A40-I131 HydrophobicContact CB-CG2 3.67Å
41I98.1Very high97Very high96 Ų9657 Ų5749%0.49229%0.294SS..Hα-helixtrans-58-44.4176.3-70.6163.4000111M37 F38 P45 T127M37-I41 VanDerWaalsContact O-CG1 3.29Å; M37-I41 WeakPolarHBondContact O-CG1 3.46Å; M37-I41 PolarHBondContact O-N 2.82Å; F38-I41 WeakPolarHBondContact O-CB 2.92Å; F38-I41 PolarHBondContact O-N 2.94Å; F38-I41 VanDerWaalsContact O-N 3.12Å; I41-P45 WeakPolarHBondContact O-CD 3.2Å; I41-T127 HydrophobicContact CD1-CG2 4.27Å; I41-T127 HydrophobicContact CG1-CG2 3.53Å
42V98.1Very high96.7Very high54 Ų5457 Ų5733%0.32731%0.313SS..Hα-helixtrans-71.1-37.9178.2175.80000111.5F38 L39 A40 P45 I46 M65F38-V42 HydrophobicContact CD2-CG2 4.42Å; F38-V42 HydrophobicContact CE1-CG2 4.29Å; F38-V42 HydrophobicContact CE2-CG2 3.94Å; F38-V42 HydrophobicContact CZ-CG2 3.87Å; F38-V42 WeakPolarHBondContact O-CG2 3.34Å; F38-V42 PolarHBondContact O-N 3.37Å; L39-V42 PolarHBondContact O-N 2.82Å; A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.09Å; V42-P45 VanDerWaalsContact O-CD 3.31Å; V42-P45 WeakPolarHBondContact O-CD 3.46Å; V42-P45 WeakPolarHBondContact O-CG 3.15Å; V42-I46 HydrophobicContact CG1-CD1 4.07Å; V42-I46 WeakPolarHBondContact O-CD1 3.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.38Å; V42-M65 HydrophobicContact CB-CE 3.87Å; V42-M65 HydrophobicContact CG1-CE 3.79Å
43G97.6Very high96.5Very high0 Ų057 Ų570%032%0.318CS..Hα-helixtrans-73.4-34-17600000113.7L39 A40 I46 C47L39-G43 PolarHBondContact O-N 3.09Å; A40-G43 PolarHBondContact O-N 3.25Å; G43-I46 PolarHBondContact O-N 3.32Å; G43-C47 WeakPolarHBondContact O-CB 3.45Å; G43-C47 PolarHBondContact O-N 3.41Å; G43-C47 PolarHBondContact O-SG 3.37Å
44I97.9Very high96.4Very high23 Ų2358.5 Ų58.512%0.11832%0.317CS..Hα-helixtrans-52.5-56.7179.2-73.7156.5000112.9A40 I46 C47 L48 T127 L130 I131 L134A40-I44 VanDerWaalsContact O-CD1 3.29Å; A40-I44 WeakPolarHBondContact O-CD1 3.27Å; A40-I44 WeakPolarHBondContact O-CG1 3.08Å; A40-I44 PolarHBondContact O-N 2.96Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.39Å; I44-C47 PolarHBondContact O-N 2.95Å; I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.19Å; I44-T127 HydrophobicContact CD1-CG2 4.37Å; I44-L130 HydrophobicContact CD1-CB 4.29Å; I44-L130 HydrophobicContact CD1-CD2 3.83Å; I44-L130 HydrophobicContact CD1-CG 4.11Å; I44-L130 HydrophobicContact CG1-CD2 4.33Å; I44-L130 HydrophobicContact CG1-CG 4.32Å; I44-L130 HydrophobicContact CG2-CD2 4.34Å; I44-I131 HydrophobicContact CG1-CB 4.02Å; I44-I131 HydrophobicContact CG1-CG1 4.36Å; I44-L134 HydrophobicContact CB-CD1 4.35Å; I44-L134 HydrophobicContact CG1-CD1 4.13Å; I44-L134 HydrophobicContact CG2-CD1 4.04Å
45P97.8Very high96.3Very high62 Ų6259.6 Ų59.640%0.40332%0.318SS..Hα-helixtrans-63.1-35.4179.624.3-33.5000112I41 V42 L48 L49I41-P45 WeakPolarHBondContact O-CD 3.2Å; V42-P45 VanDerWaalsContact O-CD 3.31Å; V42-P45 WeakPolarHBondContact O-CD 3.46Å; V42-P45 WeakPolarHBondContact O-CG 3.15Å; P45-L48 PolarHBondContact O-N 3.21Å; P45-L49 WeakPolarHBondContact O-CB 3.41Å; P45-L49 WeakPolarHBondContact O-CG 3.4Å; P45-L49 PolarHBondContact O-N 3.48Å
46I97.4Very high96.1Very high74 Ų7456.8 Ų56.838%0.37931%0.309SS..Hα-helixtrans-64-45.7177.3-59.5170.7000110.7V42 G43 I44 L49 K50 I61V42-I46 HydrophobicContact CG1-CD1 4.07Å; V42-I46 WeakPolarHBondContact O-CD1 3.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.38Å; G43-I46 PolarHBondContact O-N 3.32Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.39Å; I46-L49 PolarHBondContact O-N 2.87Å; I46-K50 VanDerWaalsContact O-CB 3.3Å; I46-K50 WeakPolarHBondContact O-CB 3.46Å; I46-K50 PolarHBondContact O-N 3.48Å; I46-I61 HydrophobicContact CG2-CD1 3.95Å; I46-I61 HydrophobicContact CG2-CG1 4.47Å; I46-I61 HydrophobicContact CG2-CG2 4Å
47C96.9Very high96Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-61.7-43.4176.2-68.90000111.7G43 I44 K50 S51 N58 L134G43-C47 WeakPolarHBondContact O-CB 3.45Å; G43-C47 PolarHBondContact O-N 3.41Å; G43-C47 PolarHBondContact O-SG 3.37Å; I44-C47 PolarHBondContact O-N 2.95Å; C47-K50 PolarHBondContact O-N 3.48Å; C47-S51 PolarHBondContact O-N 3.36Å; C47-N58 WeakPolarHBondContact CA-OD1 3.1Å; C47-N58 HydrophobicContact CB-CB 4.21Å; C47-N58 VanDerWaalsContact CB-OD1 3.31Å; C47-N58 WeakPolarHBondContact CB-OD1 3.49Å; C47-N58 PolarHBondContact O-OD1 3.06Å; C47-L134 HydrophobicContact CB-CD1 4.38Å
48L96.6Very high96Very high83 Ų8353.6 Ų53.644%0.43529%0.293SS..Hα-helixtrans-64.3-43.2177.7-70.8172.5000112I44 P45 G52 L134I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.19Å; P45-L48 PolarHBondContact O-N 3.21Å; L48-G52 WeakPolarHBondContact O-CA 3.32Å; L48-G52 PolarHBondContact O-N 2.88Å; L48-L134 HydrophobicContact CD2-CD1 4.37Å; L48-L134 HydrophobicContact CD2-CD2 3.82Å; L48-L134 HydrophobicContact CG-CD1 4.3Å
49L96.4Very high95.9Very high157 Ų15749.2 Ų49.282%0.82227%0.273SS*.Hα-helixtrans-69.6-34.1179.2-70.4171.3000112.7P45 I46P45-L49 WeakPolarHBondContact O-CB 3.41Å; P45-L49 WeakPolarHBondContact O-CG 3.4Å; P45-L49 PolarHBondContact O-N 3.48Å; I46-L49 PolarHBondContact O-N 2.87Å
50K94.1Very high95.8Very high124 Ų12453.1 Ų53.154%0.53929%0.287SS..Hα-helixtrans-84.4-47.5-176.6-169.9-174179.3-173.20113.4I46 C47 I61I46-K50 VanDerWaalsContact O-CB 3.3Å; I46-K50 WeakPolarHBondContact O-CB 3.46Å; I46-K50 PolarHBondContact O-N 3.48Å; C47-K50 PolarHBondContact O-N 3.48Å; K50-I61 HydrophobicContact CB-CD1 4.27Å; K50-I61 HydrophobicContact CD-CD1 3.63Å; K50-I61 HydrophobicContact CD-CG1 4.26Å
51S91.8Very high95.7Very high34 Ų3453.9 Ų53.924%0.23829%0.291CS..Hα-helixtrans-107.3-5.3-172.9-75.60000113.5C47 G53 D55 N58C47-S51 PolarHBondContact O-N 3.36Å; S51-G53 PolarHBondContact O-N 3.23Å; S51-G53 VanDerWaalsContact O-N 3.12Å; S51-D55 PolarHBondContact OG-OD2 2.88Å; S51-N58 WeakPolarHBondContact CB-OD1 3.31Å; S51-N58 PolarHBondContact OG-OD1 3.19Å
52G90.4Very high95.7Very high69 Ų6950.1 Ų50.171%0.71127%0.271SS*.SBendtrans71.30.8179.900000114.9L48L48-G52 WeakPolarHBondContact O-CA 3.32Å; L48-G52 PolarHBondContact O-N 2.88Å
53G93.6Very high95.6Very high16 Ų1649.5 Ų49.517%0.16526%0.263CS..SBendtrans159.8-143-17700000113.9S51 D55 N58S51-G53 PolarHBondContact O-N 3.23Å; S51-G53 VanDerWaalsContact O-N 3.12Å; G53-D55 PolarHBondContact O-N 3.28Å; G53-N58 PolarHBondContact O-ND2 2.81Å
54R94.6Very high95.6Very high103 Ų10353.6 Ų53.639%0.38929%0.292SS..SBendtrans-76.6117.7-179.5170.9173.6174.9109.72.1110.4W133 L134 I137R54-W133 HydrophobicContact CB-CE3 4.48Å; R54-W133 HydrophobicContact CB-CH2 4.06Å; R54-W133 HydrophobicContact CB-CZ2 4.22Å; R54-W133 HydrophobicContact CB-CZ3 4.2Å; R54-W133 WeakPolarHBondContact CD-O 3Å; R54-W133 VanDerWaalsContact CG-O 3.31Å; R54-W133 WeakPolarHBondContact CG-O 3.19Å; R54-W133 PolarHBondContact NH1-O 3.15Å; R54-L134 WeakPolarHBondContact CA-O 3.14Å; R54-I137 PolarHBondContact NH1-O 2.86Å; R54-I137 PolarHBondContact NH2-O 3.49Å
55D94.3Very high95.5Very high54 Ų5454.1 Ų54.129%0.28929%0.294SS..  trans-157.3140.9-175.3-173.2-15.5000109.8S51 G53 E57 N58 L134 A135S51-D55 PolarHBondContact OG-OD2 2.88Å; G53-D55 PolarHBondContact O-N 3.28Å; D55-E57 PolarHBondContact O-N 3.2Å; D55-E57 PolarHBondContact OD1-N 2.89Å; D55-N58 WeakPolarHBondContact O-CB 3.39Å; D55-N58 PolarHBondContact O-N 3.23Å; D55-N58 PolarHBondContact O-ND2 3.36Å; D55-L134 PolarHBondContact N-O 2.9Å; D55-A135 CarbonylContact O-C 3.52Å; D55-A135 VanDerWaalsContact O-C 3.31Å; D55-A135 WeakPolarHBondContact O-CA 3.32Å
56V94.8Very high95.5Very high12 Ų1251.4 Ų51.47%0.07328%0.276CS..THydrogen-bonded Turntrans-66.4-25.8175.8-179.20000111.4N58 M59 V164V56-N58 PolarHBondContact O-N 3.49Å; V56-M59 WeakPolarHBondContact O-CB 3.49Å; V56-M59 PolarHBondContact O-N 2.96Å; V56-V164 HydrophobicContact CG1-CG1 4.29Å; V56-V164 HydrophobicContact CG2-CG1 4.3Å; V56-V164 HydrophobicContact CG2-CG2 4.19Å
57E94.8Very high95.5Very high43 Ų4352.1 Ų52.120%0.20127%0.274CS..THydrogen-bonded Turntrans-61.3-26.5176.4-73.3-61.7150.200113.2D55 M59 R60 R113D55-E57 PolarHBondContact O-N 3.2Å; D55-E57 PolarHBondContact OD1-N 2.89Å; E57-M59 PolarHBondContact O-N 2.94Å; E57-M59 VanDerWaalsContact O-N 3.13Å; E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 IonicContact OE2-CZ 3.58Å; E57-R60 IonicContact OE2-NH1 3.59Å; E57-R60 PolarHBondContact OE2-NH1 2.65Å; E57-R113 WeakPolarHBondContact OE1-CD 3.39Å; E57-R113 WeakPolarHBondContact OE1-CG 3.26Å; E57-R113 IonicContact OE1-NE 2.73Å; E57-R113 PolarHBondContact OE1-NE 2.96Å
58N96.8Very high95.5Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-59.5-24173.3-72.5-35.5000112.3C47 S51 G53 D55 V56 R60 I61 I62 L134C47-N58 WeakPolarHBondContact CA-OD1 3.1Å; C47-N58 HydrophobicContact CB-CB 4.21Å; C47-N58 VanDerWaalsContact CB-OD1 3.31Å; C47-N58 WeakPolarHBondContact CB-OD1 3.49Å; C47-N58 PolarHBondContact O-OD1 3.06Å; S51-N58 WeakPolarHBondContact CB-OD1 3.31Å; S51-N58 PolarHBondContact OG-OD1 3.19Å; G53-N58 PolarHBondContact O-ND2 2.81Å; D55-N58 WeakPolarHBondContact O-CB 3.39Å; D55-N58 PolarHBondContact O-N 3.23Å; D55-N58 PolarHBondContact O-ND2 3.36Å; V56-N58 PolarHBondContact O-N 3.49Å; N58-R60 PolarHBondContact O-N 2.92Å; N58-I61 WeakPolarHBondContact O-CB 3.43Å; N58-I61 PolarHBondContact O-N 3.11Å; N58-I61 VanDerWaalsContact O-N 3.09Å; N58-I62 WeakPolarHBondContact O-CG1 3.34Å; N58-I62 PolarHBondContact O-N 3.41Å; N58-I62 VanDerWaalsContact O-N 3.09Å; N58-L134 PolarHBondContact ND2-O 3.21Å
59M96.4Very high95.6Very high9 Ų951.6 Ų51.64%0.04427%0.269CS..Hα-helixtrans-61.1-30175.8-160.962.473.700112.2V56 E57 I61 I62 R63 M107 L110 A135 I137V56-M59 WeakPolarHBondContact O-CB 3.49Å; V56-M59 PolarHBondContact O-N 2.96Å; E57-M59 PolarHBondContact O-N 2.94Å; E57-M59 VanDerWaalsContact O-N 3.13Å; M59-I61 VanDerWaalsContact C-N 3.34Å; M59-I61 PolarHBondContact O-N 2.91Å; M59-I62 PolarHBondContact O-N 2.91Å; M59-I62 HydrophobicContact SD-CB 4.48Å; M59-I62 HydrophobicContact SD-CD1 4.42Å; M59-R63 WeakPolarHBondContact O-CB 3.5Å; M59-R63 PolarHBondContact O-N 2.83Å; M59-M107 HydrophobicContact SD-CE 3.89Å; M59-M107 HydrophobicContact SD-SD 4.49Å; M59-L110 HydrophobicContact CG-CD2 3.29Å; M59-L110 HydrophobicContact SD-CD2 3.98Å; M59-A135 HydrophobicContact CE-CB 3.55Å; M59-A135 HydrophobicContact SD-CB 4.21Å; M59-I137 HydrophobicContact CE-CD1 4.12Å; M59-I137 HydrophobicContact CE-CG1 3.86Å
60R95.9Very high95.6Very high99 Ų9944.5 Ų44.537%0.37423%0.232SC..Hα-helixtrans-64.6-39175.2-171.8-178.5-79.2146.7-19.7111.7E57 N58 S64 D112E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 IonicContact OE2-CZ 3.58Å; E57-R60 IonicContact OE2-NH1 3.59Å; E57-R60 PolarHBondContact OE2-NH1 2.65Å; N58-R60 PolarHBondContact O-N 2.92Å; R60-S64 PolarHBondContact O-N 3.16Å; R60-S64 VanDerWaalsContact O-N 3.12Å; R60-D112 IonicContact CZ-OD2 3.11Å; R60-D112 IonicContact NE-OD1 3.71Å; R60-D112 IonicContact NE-OD2 3.9Å; R60-D112 IonicContact NH2-OD2 3.68Å; R60-D112 PolarHBondContact NH2-OD2 3.34Å
61I96.3Very high95.8Very high20 Ų2045.9 Ų45.910%0.10324%0.235CC..Hα-helixtrans-65.1-52.9175.4-63.5161.6000109.4I46 K50 N58 M59 R63 S64 M65I46-I61 HydrophobicContact CG2-CD1 3.95Å; I46-I61 HydrophobicContact CG2-CG1 4.47Å; I46-I61 HydrophobicContact CG2-CG2 4Å; K50-I61 HydrophobicContact CB-CD1 4.27Å; K50-I61 HydrophobicContact CD-CD1 3.63Å; K50-I61 HydrophobicContact CD-CG1 4.26Å; N58-I61 WeakPolarHBondContact O-CB 3.43Å; N58-I61 PolarHBondContact O-N 3.11Å; N58-I61 VanDerWaalsContact O-N 3.09Å; M59-I61 VanDerWaalsContact C-N 3.34Å; M59-I61 PolarHBondContact O-N 2.91Å; I61-R63 VanDerWaalsContact C-N 3.3Å; I61-R63 PolarHBondContact O-N 3.16Å; I61-S64 WeakPolarHBondContact O-CB 3.37Å; I61-S64 PolarHBondContact O-N 3Å; I61-S64 VanDerWaalsContact O-N 3.09Å; I61-M65 HydrophobicContact CG2-CG 4.38Å; I61-M65 HydrophobicContact CG2-SD 3.8Å; I61-M65 WeakPolarHBondContact O-CG 3.25Å; I61-M65 PolarHBondContact O-N 2.92Å
62I96.8Very high96Very high17 Ų1748 Ų489%0.08724%0.243CC..Hα-helixtrans-59.2-44.3-178.4-63.8164.3000110.7N58 M59 S64 M65 V66 M107 I131 A135N58-I62 WeakPolarHBondContact O-CG1 3.34Å; N58-I62 PolarHBondContact O-N 3.41Å; N58-I62 VanDerWaalsContact O-N 3.09Å; M59-I62 PolarHBondContact O-N 2.91Å; M59-I62 HydrophobicContact SD-CB 4.48Å; M59-I62 HydrophobicContact SD-CD1 4.42Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 2.77Å; I62-M65 PolarHBondContact O-N 2.77Å; I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 WeakPolarHBondContact O-CB 3.26Å; I62-V66 VanDerWaalsContact O-CG2 3.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.06Å; I62-V66 PolarHBondContact O-N 3.09Å; I62-M107 HydrophobicContact CG2-CE 4.3Å; I62-I131 HydrophobicContact CD1-CD1 4.16Å; I62-I131 HydrophobicContact CD1-CG1 3.74Å; I62-I131 HydrophobicContact CG1-CD1 3.8Å; I62-I131 HydrophobicContact CG1-CG1 3.97Å; I62-A135 HydrophobicContact CD1-CB 3.34Å
63R96.5Very high96.3Very high40 Ų4044.9 Ų44.915%0.15121%0.21CC..Hα-helixtrans-53.7-51.7174.5-172.2-176.574.8-177.7-1110.8M59 I61 M65 V66 R67 M107 L110 D112M59-R63 WeakPolarHBondContact O-CB 3.5Å; M59-R63 PolarHBondContact O-N 2.83Å; I61-R63 VanDerWaalsContact C-N 3.3Å; I61-R63 PolarHBondContact O-N 3.16Å; R63-M65 VanDerWaalsContact C-N 3.31Å; R63-M65 PolarHBondContact O-N 3.12Å; R63-V66 PolarHBondContact O-N 3.28Å; R63-R67 VanDerWaalsContact CD-NH2 3.31Å; R63-R67 VanDerWaalsContact CZ-NH2 3.26Å; R63-R67 VanDerWaalsContact O-CG 3.26Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 3.23Å; R63-R67 VanDerWaalsContact O-N 3.15Å; R63-M107 HydrophobicContact CB-SD 4.05Å; R63-M107 HydrophobicContact CG-CB 4.36Å; R63-M107 WeakPolarHBondContact CG-O 3.03Å; R63-M107 HydrophobicContact CG-SD 4.31Å; R63-L110 PolarHBondContact NH1-O 2.83Å; R63-D112 IonicContact CZ-OD1 2.66Å; R63-D112 IonicContact NH1-OD1 3.72Å; R63-D112 PolarHBondContact NH1-OD1 2.98Å; R63-D112 IonicContact NH2-OD1 3.17Å; R63-D112 PolarHBondContact NH2-OD1 3.46Å; R63-D112 VanDerWaalsContact NH2-OD1 3.17Å
64S96.8Very high96.4Very high87 Ų8745.6 Ų45.661%0.60822%0.218SC*.Hα-helixtrans-60.3-41178.7-166.60000112.4R60 I61 I62R60-S64 PolarHBondContact O-N 3.16Å; R60-S64 VanDerWaalsContact O-N 3.12Å; I61-S64 WeakPolarHBondContact O-CB 3.37Å; I61-S64 PolarHBondContact O-N 3Å; I61-S64 VanDerWaalsContact O-N 3.09Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 2.77Å
65M97.3Very high96.5Very high33 Ų3340.7 Ų40.716%0.16320%0.199CC..Hα-helixtrans-72.9-25.1-178.9-67.817973.800113.9L39 V42 I61 I62 R63 H68L39-M65 HydrophobicContact CB-CE 4.31Å; L39-M65 VanDerWaalsContact CD1-O 3.29Å; L39-M65 WeakPolarHBondContact CD1-O 3.32Å; L39-M65 HydrophobicContact CD2-CE 4.14Å; L39-M65 WeakPolarHBondContact O-CE 3.31Å; V42-M65 HydrophobicContact CB-CE 3.87Å; V42-M65 HydrophobicContact CG1-CE 3.79Å; I61-M65 HydrophobicContact CG2-CG 4.38Å; I61-M65 HydrophobicContact CG2-SD 3.8Å; I61-M65 WeakPolarHBondContact O-CG 3.25Å; I61-M65 PolarHBondContact O-N 2.92Å; I62-M65 PolarHBondContact O-N 2.77Å; R63-M65 VanDerWaalsContact C-N 3.31Å; R63-M65 PolarHBondContact O-N 3.12Å; M65-H68 PolarHBondContact O-CE1 2.79Å; M65-H68 PolarHBondContact O-ND1 2.77Å
66V97.9Very high96.6Very high5 Ų546.8 Ų46.83%0.0322%0.218CC..Hα-helixtrans-96.8-24.1-175.1173.50000112.5M36 L39 I62 R63 H68 V69 V103 L104 M107M36-V66 HydrophobicContact CE-CG1 4.16Å; M36-V66 HydrophobicContact CE-CG2 3.93Å; M36-V66 HydrophobicContact SD-CG1 4.33Å; M36-V66 HydrophobicContact SD-CG2 4.36Å; L39-V66 HydrophobicContact CD1-CG2 4.38Å; I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 WeakPolarHBondContact O-CB 3.26Å; I62-V66 VanDerWaalsContact O-CG2 3.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.06Å; I62-V66 PolarHBondContact O-N 3.09Å; R63-V66 PolarHBondContact O-N 3.28Å; V66-H68 PolarHBondContact O-N 2.9Å; V66-H68 VanDerWaalsContact O-N 3.09Å; V66-V69 HydrophobicContact CG1-CG2 4.49Å; V66-V69 VanDerWaalsContact O-CB 3.25Å; V66-V69 WeakPolarHBondContact O-CB 3.26Å; V66-V69 VanDerWaalsContact O-CG2 3.26Å; V66-V69 WeakPolarHBondContact O-CG2 3.46Å; V66-V69 PolarHBondContact O-N 3.49Å; V66-V103 HydrophobicContact CG1-CG1 4.29Å; V66-L104 HydrophobicContact CG1-CD2 3.94Å; V66-M107 HydrophobicContact CB-CB 4.42Å; V66-M107 HydrophobicContact CB-CG 4.08Å; V66-M107 HydrophobicContact CG1-CB 4.23Å; V66-M107 HydrophobicContact CG1-CG 3.88Å
67R96.6Very high96.8Very high89 Ų8947.5 Ų47.534%0.33622%0.221SC..THydrogen-bonded Turntrans-55.6-30.6-174.9-87.1175.8-171.4-169.1-2.5115.3R63 V69 K70 M107R63-R67 VanDerWaalsContact CD-NH2 3.31Å; R63-R67 VanDerWaalsContact CZ-NH2 3.26Å; R63-R67 VanDerWaalsContact O-CG 3.26Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 3.23Å; R63-R67 VanDerWaalsContact O-N 3.15Å; R67-V69 VanDerWaalsContact C-N 3.35Å; R67-K70 WeakPolarHBondContact O-CG 3.34Å; R67-K70 PolarHBondContact O-NZ 3.43Å; R67-M107 PolarHBondContact NE-O 2.8Å
68H97.3Very high96.9Very high72 Ų7249.6 Ų49.633%0.33323%0.231SC..THydrogen-bonded Turntrans-80.1-18.4-179.972.7-72.8000113.1W35 M65 V66 K70 Y71W35-H68 AromaticContact CE2-NE2 3.9Å; W35-H68 AromaticContact CZ2-NE2 3.8Å; W35-H68 AromaticContact NE1-CE1 3.93Å; W35-H68 AromaticContact NE1-NE2 3.4Å; W35-H68 PolarHBondContact NE1-NE2 2.95Å; M65-H68 PolarHBondContact O-CE1 2.79Å; M65-H68 PolarHBondContact O-ND1 2.77Å; V66-H68 PolarHBondContact O-N 2.9Å; V66-H68 VanDerWaalsContact O-N 3.09Å; H68-K70 PolarHBondContact O-N 3.48Å; H68-K70 VanDerWaalsContact O-N 3.12Å; H68-Y71 HydrophobicContact CB-CD2 4.35Å; H68-Y71 WeakPolarHBondContact O-CB 3.44Å; H68-Y71 WeakPolarHBondContact O-CD2 3.29Å; H68-Y71 PolarHBondContact O-N 3.16Å
69V98.1Very high96.9Very high0 Ų051.1 Ų51.10%024%0.24CC..Hα-helixtrans-58.1-33.6-173.2177.80000111.4Y32 M36 L39 V66 R67 Y71 L72 F73 L104Y32-V69 HydrophobicContact CD2-CG1 4.23Å; Y32-V69 HydrophobicContact CE2-CG1 4.2Å; M36-V69 HydrophobicContact SD-CG2 4.39Å; L39-V69 HydrophobicContact CD1-CG2 3.66Å; V66-V69 HydrophobicContact CG1-CG2 4.49Å; V66-V69 VanDerWaalsContact O-CB 3.25Å; V66-V69 WeakPolarHBondContact O-CB 3.26Å; V66-V69 VanDerWaalsContact O-CG2 3.26Å; V66-V69 WeakPolarHBondContact O-CG2 3.46Å; V66-V69 PolarHBondContact O-N 3.49Å; R67-V69 VanDerWaalsContact C-N 3.35Å; V69-Y71 PolarHBondContact O-N 2.93Å; V69-L72 WeakPolarHBondContact O-CB 3.23Å; V69-L72 PolarHBondContact O-N 3.15Å; V69-L72 VanDerWaalsContact O-N 3.07Å; V69-F73 HydrophobicContact CG1-CD2 4.2Å; V69-F73 HydrophobicContact CG1-CE2 3.81Å; V69-F73 VanDerWaalsContact O-CD2 3.3Å; V69-F73 WeakPolarHBondContact O-CD2 3.38Å; V69-L104 HydrophobicContact CB-CD2 3.82Å; V69-L104 HydrophobicContact CG1-CD2 3.85Å
70K97Very high97Very high8 Ų859.7 Ų59.74%0.03527%0.272CS..Hα-helixtrans-53.2-38.2175.768.8-175.3-178.9-93.50113.3R67 H68 L72 F73 G74 L75 I77 L104 E108R67-K70 WeakPolarHBondContact O-CG 3.34Å; R67-K70 PolarHBondContact O-NZ 3.43Å; H68-K70 PolarHBondContact O-N 3.48Å; H68-K70 VanDerWaalsContact O-N 3.12Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.32Å; K70-F73 PolarHBondContact O-N 2.97Å; K70-G74 PolarHBondContact O-N 3.32Å; K70-L75 HydrophobicContact CB-CB 4.13Å; K70-L75 WeakPolarHBondContact O-CB 3.48Å; K70-L75 PolarHBondContact O-N 2.96Å; K70-I77 HydrophobicContact CD-CD1 3.39Å; K70-I77 HydrophobicContact CD-CG1 3.78Å; K70-L104 HydrophobicContact CB-CD1 4.38Å; K70-E108 IonicContact NZ-OE1 2.79Å; K70-E108 PolarHBondContact NZ-OE1 3.46Å; K70-E108 VanDerWaalsContact NZ-OE1 3.11Å; K70-E108 IonicContact NZ-OE2 3.37Å; K70-E108 PolarHBondContact NZ-OE2 3.45Å
71Y97.4Very high97.1Very high153 Ų15355.6 Ų55.660%0.626%0.26SS*.Hα-helixtrans-68.9-31.3-178.3-58.5-60.2000112.3H68 V69 F73 G74H68-Y71 HydrophobicContact CB-CD2 4.35Å; H68-Y71 WeakPolarHBondContact O-CB 3.44Å; H68-Y71 WeakPolarHBondContact O-CD2 3.29Å; H68-Y71 PolarHBondContact O-N 3.16Å; V69-Y71 PolarHBondContact O-N 2.93Å; Y71-F73 PolarHBondContact O-N 3Å; Y71-G74 PolarHBondContact O-N 2.93Å; Y71-G74 VanDerWaalsContact O-N 3.08Å
72L97Very high97Very high78 Ų7860.1 Ų60.141%0.40828%0.276SS..Hα-helixtrans-64.3-20.9177.2-54.3179.5000112.8F31 W35 V69 K70F31-L72 HydrophobicContact CE1-CB 4.14Å; F31-L72 HydrophobicContact CE1-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CD1 4.29Å; W35-L72 HydrophobicContact CD2-CD1 4.13Å; W35-L72 HydrophobicContact CG-CD1 4.19Å; W35-L72 HydrophobicContact CZ2-CD1 4.34Å; V69-L72 WeakPolarHBondContact O-CB 3.23Å; V69-L72 PolarHBondContact O-N 3.15Å; V69-L72 VanDerWaalsContact O-N 3.07Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.32Å
73F95.8Very high97Very high4 Ų464.8 Ų64.82%0.01830%0.297CS..THydrogen-bonded Turntrans-1085.3178.4-62.2-80.5000112.8K28 F31 Y32 V69 K70 Y71 L75 F217K28-F73 HydrophobicContact CB-CD1 4.12Å; K28-F73 HydrophobicContact CB-CE1 3.91Å; K28-F73 HydrophobicContact CD-CD1 4.3Å; K28-F73 HydrophobicContact CG-CD1 4.21Å; K28-F73 HydrophobicContact CG-CE1 4.28Å; K28-F73 VanDerWaalsContact O-CE1 3.25Å; K28-F73 WeakPolarHBondContact O-CE1 3.3Å; F31-F73 HydrophobicContact CD1-CE1 4.01Å; F31-F73 HydrophobicContact CD1-CE2 4.42Å; F31-F73 AromaticContact CD1-CZ 3.58Å; F31-F73 HydrophobicContact CD1-CZ 3.58Å; F31-F73 HydrophobicContact CE1-CZ 4.17Å; Y32-F73 HydrophobicContact CD2-CD2 4.46Å; Y32-F73 AromaticContact CD2-CE2 3.76Å; Y32-F73 HydrophobicContact CD2-CE2 3.76Å; Y32-F73 AromaticContact CD2-CZ 3.99Å; Y32-F73 HydrophobicContact CD2-CZ 3.99Å; Y32-F73 HydrophobicContact CG-CE2 4.49Å; Y32-F73 HydrophobicContact CG-CZ 4.27Å; V69-F73 HydrophobicContact CG1-CD2 4.2Å; V69-F73 HydrophobicContact CG1-CE2 3.81Å; V69-F73 VanDerWaalsContact O-CD2 3.3Å; V69-F73 WeakPolarHBondContact O-CD2 3.38Å; K70-F73 PolarHBondContact O-N 2.97Å; Y71-F73 PolarHBondContact O-N 3Å; F73-L75 VanDerWaalsContact C-N 3.25Å; F73-L75 HydrophobicContact CB-CD1 4.13Å; F73-L75 HydrophobicContact CB-CG 3.97Å; F73-L75 PolarHBondContact O-N 3.4Å; F73-F217 HydrophobicContact CB-CE2 4.09Å; F73-F217 HydrophobicContact CB-CZ 3.96Å; F73-F217 AromaticContact CD1-CE1 3.72Å; F73-F217 HydrophobicContact CD1-CE1 3.72Å; F73-F217 HydrophobicContact CD1-CE2 4.26Å; F73-F217 AromaticContact CD1-CZ 3.53Å; F73-F217 HydrophobicContact CD1-CZ 3.53Å; F73-F217 HydrophobicContact CE1-CE1 4.07Å; F73-F217 HydrophobicContact CE1-CZ 4.26Å; F73-F217 HydrophobicContact CG-CE1 4.39Å; F73-F217 HydrophobicContact CG-CE2 4.38Å; F73-F217 AromaticContact CG-CZ 3.77Å; F73-F217 HydrophobicContact CG-CZ 3.77Å
74G96.3Very high97Very high32 Ų3265.3 Ų65.333%0.3330%0.302SS..THydrogen-bonded Turntrans62.133.6-174.200000112.8K70 Y71 S219 G220K70-G74 PolarHBondContact O-N 3.32Å; Y71-G74 PolarHBondContact O-N 2.93Å; Y71-G74 VanDerWaalsContact O-N 3.08Å; G74-S219 VanDerWaalsContact O-CA 3.31Å; G74-S219 WeakPolarHBondContact O-CA 3.43Å; G74-S219 WeakPolarHBondContact O-CB 3.25Å; G74-G220 PolarHBondContact O-N 3.25Å; G74-G220 VanDerWaalsContact O-N 3.14Å
75L97.1Very high96.9Very high0 Ų061.9 Ų61.90%028%0.277CS..EExtended strand (participates in β ladder)trans-94.7132.9175.5-59.3177.2000110K70 F73 L101 L104 F209 F217 G220 I222K70-L75 HydrophobicContact CB-CB 4.13Å; K70-L75 WeakPolarHBondContact O-CB 3.48Å; K70-L75 PolarHBondContact O-N 2.96Å; F73-L75 VanDerWaalsContact C-N 3.25Å; F73-L75 HydrophobicContact CB-CD1 4.13Å; F73-L75 HydrophobicContact CB-CG 3.97Å; F73-L75 PolarHBondContact O-N 3.4Å; L75-L101 HydrophobicContact CD1-CD1 4.3Å; L75-L104 HydrophobicContact CD1-CD1 3.94Å; L75-F209 HydrophobicContact CD1-CE2 4.48Å; L75-F209 HydrophobicContact CD2-CD2 3.57Å; L75-F209 HydrophobicContact CD2-CE2 3.52Å; L75-F209 HydrophobicContact CD2-CG 4.4Å; L75-F209 HydrophobicContact CD2-CZ 4.28Å; L75-F217 HydrophobicContact CD1-CE2 4.26Å; L75-G220 WeakPolarHBondContact CA-O 3.28Å; L75-I222 HydrophobicContact CD1-CD1 4.26Å
76R96.8Very high96.6Very high182 Ų18268 Ų6869%0.68731%0.305SS*.EExtended strand (participates in β ladder)trans-107.4149.9169.5-61.1-178.9-175.9178.40.9109.3G220 V221 I222R76-G220 PolarHBondContact N-O 3.34Å; R76-V221 HydrophobicContact CB-CG2 4.38Å; R76-V221 CarbonylContact O-C 3.57Å; R76-V221 WeakPolarHBondContact O-CA 3.25Å; R76-I222 PolarHBondContact O-N 3.17Å
77I97.1Very high96.3Very high27 Ų2768.7 Ų68.714%0.13831%0.309CS..EExtended strand (participates in β ladder)trans-118.2126.3176.3-60.3169.7000107.7K70 V79 E108 I222 L224K70-I77 HydrophobicContact CD-CD1 3.39Å; K70-I77 HydrophobicContact CD-CG1 3.78Å; I77-V79 HydrophobicContact CG2-CG2 3.74Å; I77-E108 HydrophobicContact CB-CG 4.36Å; I77-E108 HydrophobicContact CD1-CB 3.78Å; I77-E108 HydrophobicContact CD1-CG 4.02Å; I77-E108 HydrophobicContact CG2-CB 4.33Å; I77-E108 HydrophobicContact CG2-CG 4.06Å; I77-I222 WeakPolarHBondContact CA-O 3.35Å; I77-I222 HydrophobicContact CG1-CB 4.28Å; I77-L224 HydrophobicContact CG2-CD1 3.76Å; I77-L224 HydrophobicContact CG2-CG 4.17Å
78E97.4Very high96Very high87 Ų8773.1 Ų73.141%0.40733%0.333SS..EExtended strand (participates in β ladder)trans-112.7130.5173-70.5173.5-174.500108V221 I222 R223 L224E78-V221 HydrophobicContact CB-CG1 4.25Å; E78-V221 HydrophobicContact CG-CG1 3.74Å; E78-I222 PolarHBondContact N-O 3.03Å; E78-R223 HydrophobicContact CB-CG 4.27Å; E78-R223 CarbonylContact O-C 3.59Å; E78-R223 WeakPolarHBondContact O-CA 3.32Å; E78-R223 IonicContact OE2-CZ 3.42Å; E78-R223 IonicContact OE2-NE 3.78Å; E78-R223 PolarHBondContact OE2-NE 3.35Å; E78-R223 IonicContact OE2-NH2 3.21Å; E78-L224 PolarHBondContact O-N 3.27Å
79V97.8Very high95.8Very high32 Ų3270.9 Ų70.919%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-126.1134.8-174.7-171.90000109.9I77 W82 I109 L224 I226I77-V79 HydrophobicContact CG2-CG2 3.74Å; V79-W82 HydrophobicContact CB-CZ2 4.35Å; V79-W82 VanDerWaalsContact CB-NE1 3.29Å; V79-W82 HydrophobicContact CG1-CD2 4.06Å; V79-W82 HydrophobicContact CG1-CG 4.14Å; V79-W82 HydrophobicContact CG1-CZ2 4.18Å; V79-W82 VanDerWaalsContact CG1-NE1 3.33Å; V79-W82 HydrophobicContact CG2-CZ2 4.23Å; V79-I109 HydrophobicContact CB-CG2 4.44Å; V79-I109 HydrophobicContact CG1-CG2 3.84Å; V79-I109 HydrophobicContact CG2-CG2 3.75Å; V79-L224 WeakPolarHBondContact CA-O 3.32Å; V79-L224 HydrophobicContact CB-CB 4.47Å; V79-L224 HydrophobicContact CG1-CB 4.22Å; V79-L224 HydrophobicContact CG2-CB 4.23Å; V79-L224 HydrophobicContact CG2-CD1 4.02Å; V79-L224 HydrophobicContact CG2-CG 4.49Å; V79-I226 HydrophobicContact CG1-CD1 3.77Å
80R98.1Very high95.7Very high189 Ų18971.7 Ų71.771%0.71334%0.335SS*.EExtended strand (participates in β ladder)trans-125.6148.3171.1-62.5-173.8-179.8-173.3-0110.1L224 I226R80-L224 PolarHBondContact N-O 2.78Å; R80-I226 PolarHBondContact O-N 2.88Å
81G97.3Very high95.7Very high12 Ų1271.3 Ų71.312%0.12433%0.333CS..  trans8426.1178.900000114.5E83 H84 I226G81-E83 VanDerWaalsContact CA-OE2 3.31Å; G81-E83 WeakPolarHBondContact CA-OE2 3.5Å; G81-E83 PolarHBondContact O-N 3.09Å; G81-H84 WeakPolarHBondContact O-CB 3.5Å; G81-H84 PolarHBondContact O-N 3.44Å; G81-H84 VanDerWaalsContact O-N 3.08Å; G81-I226 WeakPolarHBondContact O-CB 3.17Å; G81-I226 WeakPolarHBondContact O-CD1 3.34Å
82W95.4Very high95.7Very high116 Ų11664 Ų6444%0.43931%0.305SS..G310 helixtrans-54.4-35.6-178.8-90.7111.2000113.5V79 H84 L85 I109V79-W82 HydrophobicContact CB-CZ2 4.35Å; V79-W82 VanDerWaalsContact CB-NE1 3.29Å; V79-W82 HydrophobicContact CG1-CD2 4.06Å; V79-W82 HydrophobicContact CG1-CG 4.14Å; V79-W82 HydrophobicContact CG1-CZ2 4.18Å; V79-W82 VanDerWaalsContact CG1-NE1 3.33Å; V79-W82 HydrophobicContact CG2-CZ2 4.23Å; W82-H84 PolarHBondContact O-N 2.96Å; W82-L85 HydrophobicContact CE3-CD1 4.16Å; W82-L85 HydrophobicContact CZ3-CD1 4.22Å; W82-L85 PolarHBondContact O-N 3.4Å; W82-I109 HydrophobicContact CH2-CB 3.83Å; W82-I109 HydrophobicContact CH2-CG2 3.6Å; W82-I109 HydrophobicContact CZ2-CB 4.38Å; W82-I109 HydrophobicContact CZ2-CG2 3.65Å; W82-I109 HydrophobicContact CZ3-CB 4.03Å; W82-I109 HydrophobicContact CZ3-CG2 4.18Å
83E95.5Very high95.8Very high114 Ų11460.3 Ų60.353%0.53329%0.285SS..G310 helixtrans-55-30.9177.863.7-82-167.600112.7G81 L85 Q86G81-E83 VanDerWaalsContact CA-OE2 3.31Å; G81-E83 WeakPolarHBondContact CA-OE2 3.5Å; G81-E83 PolarHBondContact O-N 3.09Å; E83-L85 VanDerWaalsContact C-N 3.3Å; E83-L85 PolarHBondContact O-N 2.74Å; E83-Q86 WeakPolarHBondContact O-CB 3.35Å; E83-Q86 PolarHBondContact O-N 3.41Å; E83-Q86 VanDerWaalsContact O-N 3.13Å
84H96.8Very high96Very high51 Ų5160.1 Ų60.124%0.23629%0.285CS..G310 helixtrans-70.5-27.4179.9-60.3-43000112.5G81 W82 Q86 T87 I199 I226 L227G81-H84 WeakPolarHBondContact O-CB 3.5Å; G81-H84 PolarHBondContact O-N 3.44Å; G81-H84 VanDerWaalsContact O-N 3.08Å; W82-H84 PolarHBondContact O-N 2.96Å; H84-Q86 PolarHBondContact O-N 3.23Å; H84-T87 PolarHBondContact O-OG1 3.3Å; H84-I199 VanDerWaalsContact O-CD1 3.27Å; H84-I199 WeakPolarHBondContact O-CD1 3.36Å; H84-I226 HydrophobicContact CB-CG2 3.73Å; H84-I226 PolarHBondContact CD2-O 2.91Å; H84-L227 VanDerWaalsContact CD2-C 3.44Å
85L94Very high96.1Very high16 Ų1658.6 Ų58.68%0.08427%0.269CS..G310 helixtrans-75.1-9.9174.2-67.2176.6000113.1W82 E83 T87 Y91 I93 I109 P111 I199 I226W82-L85 HydrophobicContact CE3-CD1 4.16Å; W82-L85 HydrophobicContact CZ3-CD1 4.22Å; W82-L85 PolarHBondContact O-N 3.4Å; E83-L85 VanDerWaalsContact C-N 3.3Å; E83-L85 PolarHBondContact O-N 2.74Å; L85-T87 PolarHBondContact O-N 3Å; L85-T87 VanDerWaalsContact O-N 3.08Å; L85-Y91 HydrophobicContact CD2-CE2 4.43Å; L85-Y91 PolarHBondContact O-OH 3.07Å; L85-Y91 VanDerWaalsContact O-OH 3.05Å; L85-I93 HydrophobicContact CD2-CD1 4.3Å; L85-I109 HydrophobicContact CD1-CB 4.04Å; L85-I109 HydrophobicContact CD1-CD1 4.36Å; L85-I109 HydrophobicContact CD1-CG1 4.49Å; L85-I109 WeakPolarHBondContact CD1-O 3.45Å; L85-P111 HydrophobicContact CD2-CG 4.07Å; L85-I199 HydrophobicContact CD2-CD1 4.41Å; L85-I199 HydrophobicContact CD2-CG2 4.13Å; L85-I226 HydrophobicContact CD1-CD1 3.54Å; L85-I226 HydrophobicContact CD1-CG1 4.28Å; L85-I226 HydrophobicContact CD2-CG2 4.28Å; L85-I226 HydrophobicContact CG-CD1 3.9Å; L85-I226 HydrophobicContact CG-CG1 4.43Å; L85-I226 HydrophobicContact CG-CG2 4.07Å
86Q91.4Very high96.1Very high161 Ų16158.7 Ų58.775%0.75227%0.269SS*.  trans-81.733.3172.3-57.5178.1-20.200111.7E83 H84E83-Q86 WeakPolarHBondContact O-CB 3.35Å; E83-Q86 PolarHBondContact O-N 3.41Å; E83-Q86 VanDerWaalsContact O-N 3.13Å; H84-Q86 PolarHBondContact O-N 3.23Å
87T91.5Very high96.1Very high20 Ų2051.2 Ų51.212%0.12324%0.242CC..  trans-79.3129.5175.2-650000109.4H84 L85 Y91 R165 P197 K229H84-T87 PolarHBondContact O-OG1 3.3Å; L85-T87 PolarHBondContact O-N 3Å; L85-T87 VanDerWaalsContact O-N 3.08Å; T87-Y91 HydrophobicContact CG2-CD1 3.93Å; T87-Y91 HydrophobicContact CG2-CE1 4.35Å; T87-Y91 WeakPolarHBondContact O-CE1 3.22Å; T87-R165 PolarHBondContact O-NH2 3.11Å; T87-P197 HydrophobicContact CG2-CG 4.23Å; T87-K229 HydrophobicContact CG2-CD 4.2Å
88E90.9Very high96Very high181 Ų18150.3 Ų50.385%0.84624%0.237SC*.  trans-69.3148.3176.1-66.1-171.5168.200111.8
89G92.6Very high95.9Very high26 Ų2646.3 Ų46.327%0.26822%0.219SC..SBendtrans72.2-171177.600000115Y91 R165G89-Y91 WeakPolarHBondContact O-CD1 3.46Å; G89-R165 PolarHBondContact O-NH2 2.83Å; G89-R165 VanDerWaalsContact O-NH2 3.11Å
90P96.2Very high95.7Very high16 Ų1646.2 Ų46.210%0.10422%0.22CC..  trans-72.2148.1177.827.4-32000111.7M159 L160 V164 V196P90-M159 HydrophobicContact CB-CG 3.75Å; P90-M159 HydrophobicContact CB-SD 4.42Å; P90-L160 HydrophobicContact CG-CD2 4.03Å; P90-V164 WeakPolarHBondContact CB-O 3.38Å; P90-V196 HydrophobicContact CB-CG1 4.22Å; P90-V196 HydrophobicContact CG-CG1 3.87Å; P90-V196 WeakPolarHBondContact O-CB 3.42Å
91Y97.6Very high95.6Very high0 Ų037.3 Ų37.30%019%0.187CC..  trans-158.1162.817353.3-99.4000110.9L85 T87 G89 I93 P111 R165 L166 P197 I199L85-Y91 HydrophobicContact CD2-CE2 4.43Å; L85-Y91 PolarHBondContact O-OH 3.07Å; L85-Y91 VanDerWaalsContact O-OH 3.05Å; T87-Y91 HydrophobicContact CG2-CD1 3.93Å; T87-Y91 HydrophobicContact CG2-CE1 4.35Å; T87-Y91 WeakPolarHBondContact O-CE1 3.22Å; G89-Y91 WeakPolarHBondContact O-CD1 3.46Å; Y91-I93 HydrophobicContact CD2-CD1 4.45Å; Y91-I93 HydrophobicContact CD2-CG1 3.77Å; Y91-I93 HydrophobicContact CE2-CD1 3.79Å; Y91-I93 HydrophobicContact CE2-CG1 3.55Å; Y91-P111 HydrophobicContact CE2-CG 4.45Å; Y91-P111 WeakPolarHBondContact OH-CB 3.37Å; Y91-P111 VanDerWaalsContact OH-CG 3.24Å; Y91-P111 WeakPolarHBondContact OH-CG 3.47Å; Y91-R165 HydrophobicContact CD1-CG 4.05Å; Y91-R165 HydrophobicContact CD2-CG 4.28Å; Y91-R165 HydrophobicContact CE1-CG 3.84Å; Y91-R165 HydrophobicContact CE2-CB 4.4Å; Y91-R165 HydrophobicContact CE2-CG 4.06Å; Y91-R165 HydrophobicContact CG-CG 4.27Å; Y91-R165 WeakPolarHBondContact O-CA 3.25Å; Y91-R165 VanDerWaalsContact OH-CD 3.31Å; Y91-R165 WeakPolarHBondContact OH-CD 3.36Å; Y91-R165 PolarHBondContact OH-NE 3.36Å; Y91-R165 VanDerWaalsContact OH-NE 3.07Å; Y91-L166 PolarHBondContact O-N 2.81Å; Y91-P197 WeakPolarHBondContact CA-O 3.31Å; Y91-P197 WeakPolarHBondContact CB-O 3.23Å; Y91-I199 HydrophobicContact CD1-CD1 4.29Å; Y91-I199 HydrophobicContact CD2-CB 4.47Å; Y91-I199 HydrophobicContact CD2-CD1 3.54Å; Y91-I199 HydrophobicContact CD2-CG1 3.95Å; Y91-I199 HydrophobicContact CE1-CD1 4.26Å; Y91-I199 HydrophobicContact CE2-CD1 3.54Å; Y91-I199 HydrophobicContact CE2-CG1 4.34Å; Y91-I199 HydrophobicContact CG-CD1 3.93Å; Y91-I199 HydrophobicContact CG-CG1 4.37Å
92V98.1Very high95.6Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-99.3125.7176.4-179.40000109.2I94 M159 L166 V168 A187 L190 A191 V196 P197 I198 I199V92-I94 HydrophobicContact CG1-CG2 4.09Å; V92-M159 HydrophobicContact CG2-SD 4.06Å; V92-L166 CarbonylContact C-O 3.51Å; V92-L166 WeakPolarHBondContact CA-O 3.4Å; V92-V168 HydrophobicContact CG1-CG2 4.25Å; V92-A187 HydrophobicContact CG1-CB 4.36Å; V92-L190 HydrophobicContact CG2-CD2 3.41Å; V92-L190 VanDerWaalsContact CG2-CD2 3.41Å; V92-A191 HydrophobicContact CB-CB 4.39Å; V92-A191 HydrophobicContact CG2-CB 3.93Å; V92-V196 HydrophobicContact CG2-CG2 3.99Å; V92-P197 PolarHBondContact N-O 3.35Å; V92-I198 HydrophobicContact CB-CG1 4.37Å; V92-I198 CarbonylContact O-C 3.59Å; V92-I198 VanDerWaalsContact O-CA 3.26Å; V92-I198 WeakPolarHBondContact O-CA 3.48Å; V92-I199 PolarHBondContact O-N 3.06Å
93I98.6Very high95.7Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-95.2127.8170.2-55.3166.3000107.9L85 Y91 P111 L166 W167 V168 I199 V201L85-I93 HydrophobicContact CD2-CD1 4.3Å; Y91-I93 HydrophobicContact CD2-CD1 4.45Å; Y91-I93 HydrophobicContact CD2-CG1 3.77Å; Y91-I93 HydrophobicContact CE2-CD1 3.79Å; Y91-I93 HydrophobicContact CE2-CG1 3.55Å; I93-P111 HydrophobicContact CD1-CG 3.9Å; I93-L166 PolarHBondContact N-O 2.94Å; I93-W167 HydrophobicContact CB-CD2 4.09Å; I93-W167 HydrophobicContact CB-CE3 3.93Å; I93-W167 HydrophobicContact CB-CG 4.39Å; I93-W167 HydrophobicContact CB-CZ3 4.49Å; I93-W167 HydrophobicContact CD1-CD2 4.4Å; I93-W167 HydrophobicContact CD1-CE3 3.48Å; I93-W167 VanDerWaalsContact CD1-CE3 3.48Å; I93-W167 HydrophobicContact CD1-CZ3 3.89Å; I93-W167 HydrophobicContact CG1-CE3 4.32Å; I93-W167 HydrophobicContact CG2-CD2 3.78Å; I93-W167 HydrophobicContact CG2-CE3 3.6Å; I93-W167 HydrophobicContact CG2-CG 4.47Å; I93-W167 HydrophobicContact CG2-CH2 4.04Å; I93-W167 HydrophobicContact CG2-CZ2 4.21Å; I93-W167 HydrophobicContact CG2-CZ3 3.74Å; I93-V168 PolarHBondContact O-N 3.22Å; I93-I199 VanDerWaalsContact CA-O 3.31Å; I93-I199 WeakPolarHBondContact CA-O 3.07Å; I93-V201 HydrophobicContact CG2-CB 4.18Å; I93-V201 HydrophobicContact CG2-CG2 3.55Å
94I98.6Very high95.8Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-112.5139.8171.961.4172.6000110.7V92 V168 P170 F183 A187 F188 I198 I199 P200 V201 M251V92-I94 HydrophobicContact CG1-CG2 4.09Å; I94-V168 VanDerWaalsContact CA-O 3.31Å; I94-V168 WeakPolarHBondContact CA-O 3.26Å; I94-P170 HydrophobicContact CB-CG 4.1Å; I94-P170 HydrophobicContact CG2-CG 4.41Å; I94-F183 HydrophobicContact CD1-CE2 4.33Å; I94-A187 HydrophobicContact CG2-CB 4.15Å; I94-F188 HydrophobicContact CD1-CE1 3.95Å; I94-F188 HydrophobicContact CD1-CZ 3.85Å; I94-I198 HydrophobicContact CB-CG2 4.4Å; I94-I198 HydrophobicContact CD1-CG2 3.64Å; I94-I198 HydrophobicContact CG1-CG2 3.63Å; I94-I198 HydrophobicContact CG2-CG2 4Å; I94-I199 PolarHBondContact N-O 3.18Å; I94-P200 HydrophobicContact CD1-CB 4.47Å; I94-P200 HydrophobicContact CG1-CB 4.14Å; I94-P200 CarbonylContact O-C 3.57Å; I94-V201 PolarHBondContact O-N 3.33Å; I94-M251 HydrophobicContact CD1-SD 3.55Å; I94-M251 VanDerWaalsContact CD1-SD 3.55Å; I94-M251 HydrophobicContact CG1-SD 3.71Å
95S98.4Very high95.8Very high0 Ų025.8 Ų25.80%014%0.138CC..EExtended strand (participates in β ladder)trans-146.3151.7178.8550000113.7W167 V168 F169 P170 V201S95-W167 PolarHBondContact OG-NE1 2.82Å; S95-V168 PolarHBondContact N-O 3.08Å; S95-V168 VanDerWaalsContact N-O 3.07Å; S95-F169 WeakPolarHBondContact O-CA 3.3Å; S95-F169 WeakPolarHBondContact O-CD1 3.26Å; S95-F169 WeakPolarHBondContact OG-CD1 3.45Å; S95-F169 WeakPolarHBondContact OG-CE1 3.24Å; S95-P170 WeakPolarHBondContact O-CD 3.31Å; S95-V201 WeakPolarHBondContact CA-O 3.34Å; S95-V201 WeakPolarHBondContact CB-O 3.36Å
96N98.2Very high96Very high2 Ų225.5 Ų25.51%0.01114%0.136CC..  trans-68.9150.9170.862.8-55.8000110.6E171 L180 V202 F203N96-E171 WeakPolarHBondContact CA-OE1 3.44Å; N96-E171 VanDerWaalsContact CB-OE1 3.23Å; N96-E171 WeakPolarHBondContact CB-OE1 3.04Å; N96-L180 HydrophobicContact CB-CD1 4.25Å; N96-L180 HydrophobicContact CB-CD2 4.44Å; N96-L180 HydrophobicContact CB-CG 4.07Å; N96-V202 WeakPolarHBondContact OD1-CA 3.18Å; N96-F203 PolarHBondContact ND2-O 3.15Å; N96-F203 PolarHBondContact OD1-N 3.26Å
97H96.2Very high96.3Very high26 Ų2618.3 Ų18.312%0.1210%0.103CC..  trans-123.3114.1-173.9-163.327000110.6S99 D102 F169 E171 R174 N175H97-S99 PolarHBondContact CE1-O 3.01Å; H97-D102 WeakPolarHBondContact CA-OD2 3.17Å; H97-D102 IonicContact CE1-OD2 2.84Å; H97-D102 PolarHBondContact CE1-OD2 3.32Å; H97-D102 IonicContact CG-OD2 3.95Å; H97-D102 IonicContact ND1-OD2 2.72Å; H97-D102 PolarHBondContact ND1-OD2 3.26Å; H97-F169 HydrophobicContact CB-CB 3.98Å; H97-F169 HydrophobicContact CB-CD1 3.56Å; H97-F169 HydrophobicContact CB-CE1 4.33Å; H97-F169 HydrophobicContact CB-CG 3.99Å; H97-F169 AromaticContact CG-CD1 3.78Å; H97-F169 AromaticContact CG-CG 3.97Å; H97-F169 AromaticContact ND1-CD1 3.84Å; H97-F169 AromaticContact ND1-CE1 3.89Å; H97-E171 PolarHBondContact N-OE1 3.41Å; H97-R174 VanDerWaalsContact CD2-CG 3.41Å; H97-R174 WeakPolarHBondContact CD2-CG 3.49Å; H97-R174 WeakPolarHBondContact NE2-CG 3.31Å; H97-R174 PolarHBondContact NE2-NE 3.43Å; H97-R174 CarbonylContact O-C 3.45Å; H97-R174 VanDerWaalsContact O-CA 3.28Å; H97-R174 WeakPolarHBondContact O-CA 3.37Å; H97-N175 PolarHBondContact O-N 2.78Å
98Q95.5Very high96.5Very high7 Ų719.5 Ų19.53%0.03311%0.107CC..  trans-113.5-38.9-175.7-62.3-178.175.500113.2D102 N175 Q176 F203 S204 Y206Q98-D102 PolarHBondContact N-OD2 2.9Å; Q98-N175 VanDerWaalsContact CA-O 3.26Å; Q98-N175 WeakPolarHBondContact CA-O 3.48Å; Q98-N175 WeakPolarHBondContact CG-O 3.27Å; Q98-Q176 WeakPolarHBondContact O-CG 3.33Å; Q98-F203 PolarHBondContact NE2-O 2.98Å; Q98-S204 PolarHBondContact NE2-O 3.21Å; Q98-Y206 HydrophobicContact CB-CD2 3.81Å; Q98-Y206 HydrophobicContact CB-CE2 3.77Å; Q98-Y206 VanDerWaalsContact OE1-N 3.1Å
99S95.2Very high96.8Very high4 Ų411 Ų113%0.0287%0.067CC..  trans-159.7-176.1-176.680.80000113.1H97 L101 D102 Y206H97-S99 PolarHBondContact CE1-O 3.01Å; S99-L101 PolarHBondContact O-N 3.41Å; S99-L101 VanDerWaalsContact OG-CB 3.27Å; S99-L101 WeakPolarHBondContact OG-CB 3.29Å; S99-L101 PolarHBondContact OG-N 2.94Å; S99-D102 PolarHBondContact N-OD2 3.46Å; S99-D102 PolarHBondContact O-N 2.93Å; S99-Y206 WeakPolarHBondContact OG-CE2 3.33Å
100S94Very high97Very high30 Ų3010 Ų1021%0.216%0.056CC..THydrogen-bonded Turntrans-68.3-18.6167.848.60000113.1Y32 D102 V103Y32-S100 PolarHBondContact OH-O 3Å; S100-D102 PolarHBondContact O-N 3.37Å; S100-V103 PolarHBondContact O-N 2.99Å
101L96.6Very high96.9Very high2 Ų210.2 Ų10.21%0.016%0.057CC..THydrogen-bonded Turntrans-69.2-15.9177.4-56.7-180000112.6Y32 L75 S99 V103 L104 Y206 F209 Y210 F217Y32-L101 HydrophobicContact CD2-CD2 4.38Å; Y32-L101 HydrophobicContact CE2-CD2 4.1Å; L75-L101 HydrophobicContact CD1-CD1 4.3Å; S99-L101 PolarHBondContact O-N 3.41Å; S99-L101 VanDerWaalsContact OG-CB 3.27Å; S99-L101 WeakPolarHBondContact OG-CB 3.29Å; S99-L101 PolarHBondContact OG-N 2.94Å; L101-V103 PolarHBondContact O-N 3.11Å; L101-V103 VanDerWaalsContact O-N 3.12Å; L101-L104 HydrophobicContact CD2-CD1 4.07Å; L101-L104 VanDerWaalsContact O-CB 3.31Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.2Å; L101-Y206 HydrophobicContact CB-CE2 4.26Å; L101-F209 HydrophobicContact CD1-CE2 4.11Å; L101-Y210 HydrophobicContact CD1-CD1 4.15Å; L101-Y210 HydrophobicContact CD1-CD2 3.66Å; L101-Y210 HydrophobicContact CD1-CE2 4.11Å; L101-Y210 HydrophobicContact CD1-CG 3.67Å; L101-F217 HydrophobicContact CD1-CE2 3.89Å; L101-F217 HydrophobicContact CD1-CZ 3.91Å; L101-F217 HydrophobicContact CD2-CE1 4.38Å; L101-F217 HydrophobicContact CD2-CZ 3.77Å; L101-F217 HydrophobicContact CG-CZ 4.48Å
102D97.3Very high96.7Very high1 Ų113.3 Ų13.31%0.0057%0.074CC..Hα-helixtrans-56.3-29.5173.8-58.7-19.9000111.7H97 Q98 S99 S100 L104 G105 M106 F169 F203 Y206H97-D102 WeakPolarHBondContact CA-OD2 3.17Å; H97-D102 IonicContact CE1-OD2 2.84Å; H97-D102 PolarHBondContact CE1-OD2 3.32Å; H97-D102 IonicContact CG-OD2 3.95Å; H97-D102 IonicContact ND1-OD2 2.72Å; H97-D102 PolarHBondContact ND1-OD2 3.26Å; Q98-D102 PolarHBondContact N-OD2 2.9Å; S99-D102 PolarHBondContact N-OD2 3.46Å; S99-D102 PolarHBondContact O-N 2.93Å; S100-D102 PolarHBondContact O-N 3.37Å; D102-L104 PolarHBondContact O-N 3.04Å; D102-G105 PolarHBondContact O-N 3.19Å; D102-M106 VanDerWaalsContact O-CB 3.28Å; D102-M106 WeakPolarHBondContact O-CB 3.46Å; D102-M106 PolarHBondContact O-N 2.66Å; D102-F169 HydrophobicContact CB-CE1 4.37Å; D102-F169 HydrophobicContact CB-CZ 4.41Å; D102-F203 HydrophobicContact CB-CE1 4.36Å; D102-Y206 WeakPolarHBondContact OD1-CE2 3.35Å; D102-Y206 PolarHBondContact OD1-OH 3.16Å
103V96.7Very high96.5Very high47 Ų4717.4 Ų17.429%0.2859%0.089SC..Hα-helixtrans-58.9-35.7174.4174.70000111.4M36 V66 S100 L101 M106 M107M36-V103 HydrophobicContact CE-CG1 4.33Å; V66-V103 HydrophobicContact CG1-CG1 4.29Å; S100-V103 PolarHBondContact O-N 2.99Å; L101-V103 PolarHBondContact O-N 3.11Å; L101-V103 VanDerWaalsContact O-N 3.12Å; V103-M106 PolarHBondContact O-N 2.84Å; V103-M107 HydrophobicContact CG1-CE 4.27Å; V103-M107 HydrophobicContact CG1-CG 4.12Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.48Å; V103-M107 PolarHBondContact O-N 3.1Å
104L97.8Very high96.4Very high3 Ų317.4 Ų17.42%0.0169%0.089CC..Hα-helixtrans-67.3-44.9180-56.3-177.2000111.3Y32 V66 V69 K70 L75 L101 D102 E108Y32-L104 HydrophobicContact CE2-CD1 4.35Å; Y32-L104 HydrophobicContact CE2-CD2 4.21Å; Y32-L104 HydrophobicContact CE2-CG 4.42Å; V66-L104 HydrophobicContact CG1-CD2 3.94Å; V69-L104 HydrophobicContact CB-CD2 3.82Å; V69-L104 HydrophobicContact CG1-CD2 3.85Å; K70-L104 HydrophobicContact CB-CD1 4.38Å; L75-L104 HydrophobicContact CD1-CD1 3.94Å; L101-L104 HydrophobicContact CD2-CD1 4.07Å; L101-L104 VanDerWaalsContact O-CB 3.31Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 3.2Å; D102-L104 PolarHBondContact O-N 3.04Å; L104-E108 PolarHBondContact O-N 2.99Å
105G97.3Very high96.2Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-67.2-42.7174.500000112.5D102 M107 E108 I109D102-G105 PolarHBondContact O-N 3.19Å; G105-M107 PolarHBondContact O-N 2.85Å; G105-E108 VanDerWaalsContact O-CB 3.32Å; G105-E108 WeakPolarHBondContact O-CB 3.46Å; G105-E108 PolarHBondContact O-N 2.95Å; G105-E108 VanDerWaalsContact O-N 3.16Å; G105-I109 PolarHBondContact O-N 2.78Å
106M97.6Very high96Very high10 Ų1018.4 Ų18.45%0.04910%0.095CC..Hα-helixtrans-57.4-49.7175.9-173.3179.177.700111D102 V103 E108 I109 L110 W167 F169D102-M106 VanDerWaalsContact O-CB 3.28Å; D102-M106 WeakPolarHBondContact O-CB 3.46Å; D102-M106 PolarHBondContact O-N 2.66Å; V103-M106 PolarHBondContact O-N 2.84Å; M106-E108 PolarHBondContact O-N 2.83Å; M106-I109 PolarHBondContact O-N 3.48Å; M106-I109 VanDerWaalsContact O-N 3.16Å; M106-L110 HydrophobicContact CG-CD1 4.11Å; M106-L110 WeakPolarHBondContact O-CA 3.33Å; M106-L110 VanDerWaalsContact O-CB 3.23Å; M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 PolarHBondContact O-N 2.87Å; M106-W167 HydrophobicContact CB-CH2 4.47Å; M106-W167 HydrophobicContact CB-CZ2 4.33Å; M106-W167 HydrophobicContact CG-CD2 3.86Å; M106-W167 HydrophobicContact CG-CE3 3.95Å; M106-W167 HydrophobicContact CG-CG 4.47Å; M106-W167 HydrophobicContact CG-CH2 4.09Å; M106-W167 HydrophobicContact CG-CZ2 3.98Å; M106-W167 HydrophobicContact CG-CZ3 4.07Å; M106-W167 HydrophobicContact SD-CD2 3.96Å; M106-W167 HydrophobicContact SD-CG 3.95Å; M106-F169 HydrophobicContact SD-CE2 4.34Å; M106-F169 HydrophobicContact SD-CZ 4.3Å
107M97Very high95.7Very high10 Ų1018.6 Ų18.65%0.04910%0.096CC..Hα-helixtrans-67-19.2179.8-66.5-58.4160.700114M59 I62 R63 V66 R67 V103 G105 L110M59-M107 HydrophobicContact SD-CE 3.89Å; M59-M107 HydrophobicContact SD-SD 4.49Å; I62-M107 HydrophobicContact CG2-CE 4.3Å; R63-M107 HydrophobicContact CB-SD 4.05Å; R63-M107 HydrophobicContact CG-CB 4.36Å; R63-M107 WeakPolarHBondContact CG-O 3.03Å; R63-M107 HydrophobicContact CG-SD 4.31Å; V66-M107 HydrophobicContact CB-CB 4.42Å; V66-M107 HydrophobicContact CB-CG 4.08Å; V66-M107 HydrophobicContact CG1-CB 4.23Å; V66-M107 HydrophobicContact CG1-CG 3.88Å; R67-M107 PolarHBondContact NE-O 2.8Å; V103-M107 HydrophobicContact CG1-CE 4.27Å; V103-M107 HydrophobicContact CG1-CG 4.12Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.48Å; V103-M107 PolarHBondContact O-N 3.1Å; G105-M107 PolarHBondContact O-N 2.85Å; M107-L110 HydrophobicContact CE-CD2 4.31Å; M107-L110 HydrophobicContact SD-CD2 3.84Å
108E96.7Very high95.4Very high45 Ų4517.9 Ų17.921%0.2110%0.095CC..Hα-helixtrans-68.3-44.7172.8-162.669.8179.100111K70 I77 L104 G105 M106K70-E108 IonicContact NZ-OE1 2.79Å; K70-E108 PolarHBondContact NZ-OE1 3.46Å; K70-E108 VanDerWaalsContact NZ-OE1 3.11Å; K70-E108 IonicContact NZ-OE2 3.37Å; K70-E108 PolarHBondContact NZ-OE2 3.45Å; I77-E108 HydrophobicContact CB-CG 4.36Å; I77-E108 HydrophobicContact CD1-CB 3.78Å; I77-E108 HydrophobicContact CD1-CG 4.02Å; I77-E108 HydrophobicContact CG2-CB 4.33Å; I77-E108 HydrophobicContact CG2-CG 4.06Å; L104-E108 PolarHBondContact O-N 2.99Å; G105-E108 VanDerWaalsContact O-CB 3.32Å; G105-E108 WeakPolarHBondContact O-CB 3.46Å; G105-E108 PolarHBondContact O-N 2.95Å; G105-E108 VanDerWaalsContact O-N 3.16Å; M106-E108 PolarHBondContact O-N 2.83Å
109I96.8Very high95.1Very high2 Ų222.6 Ų22.61%0.0112%0.115CC..Hα-helixtrans-108.5-1-170.469.5167.8000114.5V79 W82 L85 G105 M106 P111 W167 V201 L224 I226V79-I109 HydrophobicContact CB-CG2 4.44Å; V79-I109 HydrophobicContact CG1-CG2 3.84Å; V79-I109 HydrophobicContact CG2-CG2 3.75Å; W82-I109 HydrophobicContact CH2-CB 3.83Å; W82-I109 HydrophobicContact CH2-CG2 3.6Å; W82-I109 HydrophobicContact CZ2-CB 4.38Å; W82-I109 HydrophobicContact CZ2-CG2 3.65Å; W82-I109 HydrophobicContact CZ3-CB 4.03Å; W82-I109 HydrophobicContact CZ3-CG2 4.18Å; L85-I109 HydrophobicContact CD1-CB 4.04Å; L85-I109 HydrophobicContact CD1-CD1 4.36Å; L85-I109 HydrophobicContact CD1-CG1 4.49Å; L85-I109 WeakPolarHBondContact CD1-O 3.45Å; G105-I109 PolarHBondContact O-N 2.78Å; M106-I109 PolarHBondContact O-N 3.48Å; M106-I109 VanDerWaalsContact O-N 3.16Å; I109-P111 WeakPolarHBondContact O-CD 3.36Å; I109-P111 VanDerWaalsContact O-N 3.13Å; I109-W167 HydrophobicContact CD1-CH2 3.72Å; I109-W167 HydrophobicContact CD1-CZ3 4.17Å; I109-W167 HydrophobicContact CG1-CH2 3.96Å; I109-W167 HydrophobicContact CG1-CZ3 4.11Å; I109-V201 HydrophobicContact CD1-CG1 3.58Å; I109-V201 HydrophobicContact CD1-CG2 4.23Å; I109-L224 HydrophobicContact CD1-CD1 3.98Å; I109-L224 HydrophobicContact CG1-CD1 4.23Å; I109-L224 HydrophobicContact CG2-CD1 3.75Å; I109-I226 HydrophobicContact CD1-CD1 4.39Å; I109-I226 HydrophobicContact CD1-CG1 4.22Å
110L96.4Very high94.8Very high6 Ų627.2 Ų27.23%0.03114%0.135CC..PPolyproline II helixtrans-58.4117.6-174-167.565000110.7M59 R63 M106 M107 C114 W167M59-L110 HydrophobicContact CG-CD2 3.29Å; M59-L110 HydrophobicContact SD-CD2 3.98Å; R63-L110 PolarHBondContact NH1-O 2.83Å; M106-L110 HydrophobicContact CG-CD1 4.11Å; M106-L110 WeakPolarHBondContact O-CA 3.33Å; M106-L110 VanDerWaalsContact O-CB 3.23Å; M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 PolarHBondContact O-N 2.87Å; M107-L110 HydrophobicContact CE-CD2 4.31Å; M107-L110 HydrophobicContact SD-CD2 3.84Å; L110-C114 HydrophobicContact CD1-CB 3.79Å; L110-C114 HydrophobicContact CG-CB 4.09Å; L110-W167 HydrophobicContact CD1-CE3 3.89Å; L110-W167 HydrophobicContact CD1-CZ3 4.46Å
111P95.3Very high94.6Very high19 Ų1930 Ų3012%0.12314%0.144CC..PPolyproline II helixtrans-62.6159.9176.4-23.836000111.6L85 Y91 I93 I109 C114L85-P111 HydrophobicContact CD2-CG 4.07Å; Y91-P111 HydrophobicContact CE2-CG 4.45Å; Y91-P111 WeakPolarHBondContact OH-CB 3.37Å; Y91-P111 VanDerWaalsContact OH-CG 3.24Å; Y91-P111 WeakPolarHBondContact OH-CG 3.47Å; I93-P111 HydrophobicContact CD1-CG 3.9Å; I109-P111 WeakPolarHBondContact O-CD 3.36Å; I109-P111 VanDerWaalsContact O-N 3.13Å; P111-C114 HydrophobicContact CB-CB 4.42Å; P111-C114 VanDerWaalsContact O-CB 3.27Å; P111-C114 WeakPolarHBondContact O-CB 3.39Å
112D93.3Very high94.3Very high66 Ų6632.2 Ų32.235%0.35316%0.156SC..THydrogen-bonded Turntrans-64.3148.3171.6-74.3-0.1000110.3R60 R63 C114 R165R60-D112 IonicContact CZ-OD2 3.11Å; R60-D112 IonicContact NE-OD1 3.71Å; R60-D112 IonicContact NE-OD2 3.9Å; R60-D112 IonicContact NH2-OD2 3.68Å; R60-D112 PolarHBondContact NH2-OD2 3.34Å; R63-D112 IonicContact CZ-OD1 2.66Å; R63-D112 IonicContact NH1-OD1 3.72Å; R63-D112 PolarHBondContact NH1-OD1 2.98Å; R63-D112 IonicContact NH2-OD1 3.17Å; R63-D112 PolarHBondContact NH2-OD1 3.46Å; R63-D112 VanDerWaalsContact NH2-OD1 3.17Å; D112-C114 VanDerWaalsContact C-N 3.28Å; D112-C114 PolarHBondContact O-N 2.87Å; D112-R165 PolarHBondContact O-NH1 2.91Å
113R94Very high94.1Very high85 Ų8534.2 Ų34.232%0.32117%0.168SC..THydrogen-bonded Turntrans52.444.6-175.8-53.4-164.872.1-144.1-9.7113.1E57 E162 V164 R165E57-R113 WeakPolarHBondContact OE1-CD 3.39Å; E57-R113 WeakPolarHBondContact OE1-CG 3.26Å; E57-R113 IonicContact OE1-NE 2.73Å; E57-R113 PolarHBondContact OE1-NE 2.96Å; R113-E162 PolarHBondContact NH1-O 3.39Å; R113-E162 PolarHBondContact NH2-O 2.91Å; R113-V164 CarbonylContact O-C 3.59Å; R113-V164 WeakPolarHBondContact O-CA 3.4Å; R113-R165 PolarHBondContact O-N 3.49Å
114C95.7Very high93.9Very high1 Ų140.3 Ų40.31%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-113.5129176.3-171.60000111.2L110 P111 D112 R165L110-C114 HydrophobicContact CD1-CB 3.79Å; L110-C114 HydrophobicContact CG-CB 4.09Å; P111-C114 HydrophobicContact CB-CB 4.42Å; P111-C114 VanDerWaalsContact O-CB 3.27Å; P111-C114 WeakPolarHBondContact O-CB 3.39Å; D112-C114 VanDerWaalsContact C-N 3.28Å; D112-C114 PolarHBondContact O-N 2.87Å; C114-R165 CarbonylContact C-O 3.46Å; C114-R165 VanDerWaalsContact CA-O 3.27Å; C114-R165 WeakPolarHBondContact CA-O 3.31Å; C114-R165 HydrophobicContact CB-CB 3.92Å; C114-R165 PolarHBondContact SG-O 3Å
115T94Very high93.6Very high8 Ų842.3 Ų42.35%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-114.2173.5172.9-168.30000111.2G136 I137 V138 V164 R165 L166 W167T115-G136 PolarHBondContact OG1-O 3.16Å; T115-I137 WeakPolarHBondContact OG1-CA 3.35Å; T115-I137 PolarHBondContact OG1-N 3.46Å; T115-V138 HydrophobicContact CG2-CG2 4.45Å; T115-V164 HydrophobicContact CG2-CG1 3.83Å; T115-R165 PolarHBondContact N-O 3.27Å; T115-L166 HydrophobicContact CG2-CD1 3.65Å; T115-W167 PolarHBondContact O-N 2.88Å
116T94.2Very high93.5Very high13 Ų1344.8 Ų44.88%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-130.4159.1-179.2-1730000112.8I137 V138 W167T116-I137 HydrophobicContact CG2-CB 4.46Å; T116-I137 HydrophobicContact CG2-CD1 3.56Å; T116-I137 HydrophobicContact CG2-CG1 3.73Å; T116-I137 HydrophobicContact CG2-CG2 4.04Å; T116-I137 WeakPolarHBondContact O-CG2 3.16Å; T116-V138 PolarHBondContact O-N 3.48Å; T116-W167 VanDerWaalsContact CA-O 3.25Å; T116-W167 WeakPolarHBondContact CA-O 3.44Å; T116-W167 WeakPolarHBondContact CB-O 3.48Å; T116-W167 PolarHBondContact OG1-O 2.86Å
117I91.4Very high93.4Very high5 Ų546.2 Ų46.23%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-95.6117.4169.9-67.9178.5000111V138 I140 R142 M152 L166 W167 V168I117-V138 CarbonylContact C-O 3.55Å; I117-V138 WeakPolarHBondContact CA-O 3.34Å; I117-V138 HydrophobicContact CG1-CB 4.14Å; I117-V138 HydrophobicContact CG1-CG1 4.4Å; I117-I140 HydrophobicContact CG2-CB 4.32Å; I117-I140 HydrophobicContact CG2-CD1 3.55Å; I117-I140 HydrophobicContact CG2-CG1 3.57Å; I117-I140 HydrophobicContact CG2-CG2 3.82Å; I117-R142 PolarHBondContact O-NH2 3.22Å; I117-M152 HydrophobicContact CD1-CE 3.47Å; I117-M152 VanDerWaalsContact CD1-CE 3.47Å; I117-M152 HydrophobicContact CD1-SD 3.28Å; I117-M152 WeakPolarHBondContact CD1-SD 3.29Å; I117-L166 HydrophobicContact CD1-CD2 3.79Å; I117-L166 HydrophobicContact CD1-CG 4.46Å; I117-L166 HydrophobicContact CG1-CD1 4.07Å; I117-L166 HydrophobicContact CG1-CD2 4.25Å; I117-L166 HydrophobicContact CG1-CG 4.43Å; I117-W167 PolarHBondContact N-O 3.48Å; I117-V168 HydrophobicContact CD1-CG2 4.06Å; I117-V168 HydrophobicContact CG1-CG2 4.44Å
118A90.4Very high93.3Very high11 Ų1147.6 Ų47.69%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-112.3162.6176.700000112.7L122 I137 V138 F139 I140A118-L122 HydrophobicContact CB-CB 4.43Å; A118-L122 HydrophobicContact CB-CD2 3.62Å; A118-I137 HydrophobicContact CB-CG2 3.61Å; A118-V138 PolarHBondContact N-O 3.01Å; A118-F139 HydrophobicContact CB-CD1 4.08Å; A118-F139 HydrophobicContact CB-CE1 4.19Å; A118-F139 WeakPolarHBondContact O-CA 3.14Å; A118-I140 PolarHBondContact O-N 3.37Å
119K89.8Confident93.3Very high106 Ų10645.4 Ų45.446%0.46124%0.238SC..EExtended strand (participates in β ladder)trans-68.2142.5171.267.8175.4-176.5167.80110.3E121 L122K119-E121 WeakPolarHBondContact CB-OE2 3.15Å; K119-E121 HydrophobicContact CD-CB 4.42Å; K119-E121 PolarHBondContact O-N 2.8Å; K119-E121 VanDerWaalsContact O-N 3.12Å; K119-L122 HydrophobicContact CG-CB 4.14Å; K119-L122 VanDerWaalsContact O-CB 3.31Å; K119-L122 WeakPolarHBondContact O-CB 3.39Å; K119-L122 PolarHBondContact O-N 2.71Å
120K89.1Confident93.3Very high102 Ų10249 Ų4944%0.44326%0.257SS..G310 helixtrans-52.8-36.3-179.3-173.9173.8-179.21760112.9L122 V123 I140 N141K120-L122 PolarHBondContact O-N 3.2Å; K120-L122 VanDerWaalsContact O-N 3.15Å; K120-V123 VanDerWaalsContact O-CG1 3.23Å; K120-V123 WeakPolarHBondContact O-CG1 3.25Å; K120-V123 PolarHBondContact O-N 3.43Å; K120-I140 PolarHBondContact N-O 3.42Å; K120-N141 HydrophobicContact CD-CB 4.4Å
121E90.5Very high93.3Very high88 Ų8849.4 Ų49.441%0.41126%0.259SS..G310 helixtrans-65.7-19.4-178.1-56.577.7-170.500113.2K119 V123 Y124K119-E121 WeakPolarHBondContact CB-OE2 3.15Å; K119-E121 HydrophobicContact CD-CB 4.42Å; K119-E121 PolarHBondContact O-N 2.8Å; K119-E121 VanDerWaalsContact O-N 3.12Å; E121-V123 PolarHBondContact O-N 3.11Å; E121-Y124 PolarHBondContact O-N 2.78Å
122L89.1Confident93.4Very high49 Ų4949.4 Ų49.426%0.25726%0.259SS..G310 helixtrans-65.3-26.9179.1-17665.1000112.1A118 K119 K120 Y124 A125 G129 F139A118-L122 HydrophobicContact CB-CB 4.43Å; A118-L122 HydrophobicContact CB-CD2 3.62Å; K119-L122 HydrophobicContact CG-CB 4.14Å; K119-L122 VanDerWaalsContact O-CB 3.31Å; K119-L122 WeakPolarHBondContact O-CB 3.39Å; K119-L122 PolarHBondContact O-N 2.71Å; K120-L122 PolarHBondContact O-N 3.2Å; K120-L122 VanDerWaalsContact O-N 3.15Å; L122-Y124 PolarHBondContact O-N 3.05Å; L122-A125 HydrophobicContact CD1-CB 4.07Å; L122-A125 VanDerWaalsContact O-CB 3.24Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 2.9Å; L122-G129 WeakPolarHBondContact O-CA 3.35Å; L122-F139 HydrophobicContact CB-CD1 4.44Å; L122-F139 HydrophobicContact CB-CE1 4.01Å; L122-F139 HydrophobicContact CD2-CE1 4.42Å; L122-F139 HydrophobicContact CG-CE1 4.32Å
123V92.5Very high93.5Very high43 Ų4351.5 Ų51.526%0.26126%0.262SS..G310 helixtrans-61.2-26.4177.379.90000112.2K120 E121 A125 G129 W133 F139K120-V123 VanDerWaalsContact O-CG1 3.23Å; K120-V123 WeakPolarHBondContact O-CG1 3.25Å; K120-V123 PolarHBondContact O-N 3.43Å; E121-V123 PolarHBondContact O-N 3.11Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.2Å; V123-G129 WeakPolarHBondContact O-CA 3.47Å; V123-W133 HydrophobicContact CG2-CB 4.46Å; V123-F139 HydrophobicContact CB-CD1 4.21Å; V123-F139 HydrophobicContact CB-CE1 4Å; V123-F139 HydrophobicContact CB-CE2 4.41Å; V123-F139 HydrophobicContact CB-CZ 4.1Å; V123-F139 HydrophobicContact CG2-CE2 4.19Å; V123-F139 HydrophobicContact CG2-CZ 4.17Å
124Y92.6Very high93.7Very high174 Ų17447.7 Ų47.768%0.68225%0.248SC*.G310 helixtrans-88.96.3179.7-53.1-67.8000113.4E121 L122 G126E121-Y124 PolarHBondContact O-N 2.78Å; L122-Y124 PolarHBondContact O-N 3.05Å; Y124-G126 PolarHBondContact O-N 3.07Å
125A92.9Very high93.7Very high46 Ų4647.6 Ų47.638%0.3825%0.248SC..SBendtrans-79.943.1179.300000112.8L122 V123 T127 V128 G129L122-A125 HydrophobicContact CD1-CB 4.07Å; L122-A125 VanDerWaalsContact O-CB 3.24Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 2.9Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.2Å; A125-T127 PolarHBondContact O-N 3.42Å; A125-V128 PolarHBondContact O-N 3.12Å; A125-G129 PolarHBondContact O-N 3.31Å
126G93.9Very high93.6Very high52 Ų5247.6 Ų47.654%0.53625%0.249SC..Hα-helixtrans56.5-132.5179.500000113.3Y124 V128 G129 L130Y124-G126 PolarHBondContact O-N 3.07Å; G126-V128 VanDerWaalsContact C-N 3.27Å; G126-V128 PolarHBondContact O-N 2.98Å; G126-G129 PolarHBondContact O-N 3.49Å; G126-G129 VanDerWaalsContact O-N 3.09Å; G126-L130 PolarHBondContact O-N 2.83Å; G126-L130 VanDerWaalsContact O-N 3.07Å
127T96.1Very high93.7Very high40 Ų4047.6 Ų47.625%0.24525%0.248CC..Hα-helixtrans-63.5-32.8-177.5550000112.5M37 I41 I44 A125 L130 I131M37-T127 PolarHBondContact O-OG1 3.41Å; I41-T127 HydrophobicContact CD1-CG2 4.27Å; I41-T127 HydrophobicContact CG1-CG2 3.53Å; I44-T127 HydrophobicContact CD1-CG2 4.37Å; A125-T127 PolarHBondContact O-N 3.42Å; T127-L130 PolarHBondContact O-N 3.2Å; T127-I131 PolarHBondContact O-N 2.98Å
128V95.4Very high93.7Very high38 Ų3848.6 Ų48.623%0.2326%0.255CS..Hα-helixtrans-64.9-43.3173.8176.50000110.5M37 A40 A125 G126 L130 I131 C132M37-V128 HydrophobicContact CG-CG2 4.02Å; A40-V128 HydrophobicContact CB-CG2 4.32Å; A125-V128 PolarHBondContact O-N 3.12Å; G126-V128 VanDerWaalsContact C-N 3.27Å; G126-V128 PolarHBondContact O-N 2.98Å; V128-L130 VanDerWaalsContact C-N 3.35Å; V128-L130 PolarHBondContact O-N 2.88Å; V128-I131 WeakPolarHBondContact O-CG2 3.37Å; V128-C132 VanDerWaalsContact O-CB 3.26Å; V128-C132 WeakPolarHBondContact O-CB 3.31Å; V128-C132 PolarHBondContact O-N 3.29Å; V128-C132 PolarHBondContact O-SG 2.77Å
129G95.8Very high93.7Very high0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-60.8-44.1176.200000112.5L122 V123 A125 G126 C132 W133L122-G129 WeakPolarHBondContact O-CA 3.35Å; V123-G129 WeakPolarHBondContact O-CA 3.47Å; A125-G129 PolarHBondContact O-N 3.31Å; G126-G129 PolarHBondContact O-N 3.49Å; G126-G129 VanDerWaalsContact O-N 3.09Å; G129-C132 WeakPolarHBondContact O-CB 3.28Å; G129-C132 PolarHBondContact O-N 3.12Å; G129-W133 PolarHBondContact O-N 3.07Å
130L96.8Very high93.5Very high78 Ų7845.4 Ų45.441%0.40824%0.239SC..Hα-helixtrans-65.5-47.5178.5179.157.2000112.6I44 G126 T127 V128 C132 W133 L134I44-L130 HydrophobicContact CD1-CB 4.29Å; I44-L130 HydrophobicContact CD1-CD2 3.83Å; I44-L130 HydrophobicContact CD1-CG 4.11Å; I44-L130 HydrophobicContact CG1-CD2 4.33Å; I44-L130 HydrophobicContact CG1-CG 4.32Å; I44-L130 HydrophobicContact CG2-CD2 4.34Å; G126-L130 PolarHBondContact O-N 2.83Å; G126-L130 VanDerWaalsContact O-N 3.07Å; T127-L130 PolarHBondContact O-N 3.2Å; V128-L130 VanDerWaalsContact C-N 3.35Å; V128-L130 PolarHBondContact O-N 2.88Å; L130-C132 VanDerWaalsContact C-N 3.3Å; L130-C132 PolarHBondContact O-N 3.35Å; L130-W133 HydrophobicContact CD1-CE3 4.19Å; L130-W133 WeakPolarHBondContact O-CB 3.3Å; L130-W133 PolarHBondContact O-N 2.94Å; L130-W133 VanDerWaalsContact O-N 3.11Å; L130-L134 HydrophobicContact CD1-CG 4.46Å; L130-L134 HydrophobicContact CG-CD1 4.42Å; L130-L134 PolarHBondContact O-N 3.44Å
131I97Very high93.3Very high13 Ų1342.1 Ų42.17%0.06723%0.227CC..Hα-helixtrans-66.3-35.7178.9-160.8169.6000111.4A40 I44 I62 T127 V128 W133 L134 A135A40-I131 HydrophobicContact CB-CB 4.19Å; A40-I131 HydrophobicContact CB-CD1 4.4Å; A40-I131 HydrophobicContact CB-CG2 3.67Å; I44-I131 HydrophobicContact CG1-CB 4.02Å; I44-I131 HydrophobicContact CG1-CG1 4.36Å; I62-I131 HydrophobicContact CD1-CD1 4.16Å; I62-I131 HydrophobicContact CD1-CG1 3.74Å; I62-I131 HydrophobicContact CG1-CD1 3.8Å; I62-I131 HydrophobicContact CG1-CG1 3.97Å; T127-I131 PolarHBondContact O-N 2.98Å; V128-I131 WeakPolarHBondContact O-CG2 3.37Å; I131-W133 VanDerWaalsContact C-N 3.31Å; I131-W133 PolarHBondContact O-N 3.42Å; I131-L134 PolarHBondContact O-N 3.4Å; I131-A135 WeakPolarHBondContact O-CB 3.31Å; I131-A135 PolarHBondContact O-N 3.37Å
132C96.6Very high92.8Very high20 Ų2041.6 Ų41.614%0.13522%0.221CC..Hα-helixtrans-59-43.8171-770000111.4V128 G129 L130 A135 I137 F139V128-C132 VanDerWaalsContact O-CB 3.26Å; V128-C132 WeakPolarHBondContact O-CB 3.31Å; V128-C132 PolarHBondContact O-N 3.29Å; V128-C132 PolarHBondContact O-SG 2.77Å; G129-C132 WeakPolarHBondContact O-CB 3.28Å; G129-C132 PolarHBondContact O-N 3.12Å; L130-C132 VanDerWaalsContact C-N 3.3Å; L130-C132 PolarHBondContact O-N 3.35Å; C132-A135 WeakPolarHBondContact O-CB 3.26Å; C132-A135 PolarHBondContact O-N 2.88Å; C132-I137 HydrophobicContact CB-CB 4.44Å; C132-I137 HydrophobicContact CB-CD1 3.7Å; C132-I137 HydrophobicContact CB-CG1 4.42Å; C132-I137 WeakPolarHBondContact O-CB 3.42Å; C132-I137 WeakPolarHBondContact O-CG1 3.25Å; C132-I137 PolarHBondContact O-N 2.88Å; C132-F139 HydrophobicContact CB-CZ 3.96Å
133W96.3Very high92.3Very high110 Ų11047.9 Ų47.942%0.41725%0.246SC..Hα-helixtrans-64.7-42.6176.5177.989.6000112.9R54 V123 G129 L130 I131 A135 G136 F139R54-W133 HydrophobicContact CB-CE3 4.48Å; R54-W133 HydrophobicContact CB-CH2 4.06Å; R54-W133 HydrophobicContact CB-CZ2 4.22Å; R54-W133 HydrophobicContact CB-CZ3 4.2Å; R54-W133 WeakPolarHBondContact CD-O 3Å; R54-W133 VanDerWaalsContact CG-O 3.31Å; R54-W133 WeakPolarHBondContact CG-O 3.19Å; R54-W133 PolarHBondContact NH1-O 3.15Å; V123-W133 HydrophobicContact CG2-CB 4.46Å; G129-W133 PolarHBondContact O-N 3.07Å; L130-W133 HydrophobicContact CD1-CE3 4.19Å; L130-W133 WeakPolarHBondContact O-CB 3.3Å; L130-W133 PolarHBondContact O-N 2.94Å; L130-W133 VanDerWaalsContact O-N 3.11Å; I131-W133 VanDerWaalsContact C-N 3.31Å; I131-W133 PolarHBondContact O-N 3.42Å; W133-A135 PolarHBondContact O-N 2.97Å; W133-G136 PolarHBondContact O-N 3.24Å; W133-F139 HydrophobicContact CB-CE2 3.9Å; W133-F139 HydrophobicContact CB-CZ 4.32Å; W133-F139 HydrophobicContact CG-CE2 4.44Å
134L96.8Very high91.8Very high4 Ų451.5 Ų51.52%0.02126%0.258CS..Hα-helixtrans-62.3-31174.1-72.8172.2000112.2I44 C47 L48 R54 D55 N58 L130 I131 G136I44-L134 HydrophobicContact CB-CD1 4.35Å; I44-L134 HydrophobicContact CG1-CD1 4.13Å; I44-L134 HydrophobicContact CG2-CD1 4.04Å; C47-L134 HydrophobicContact CB-CD1 4.38Å; L48-L134 HydrophobicContact CD2-CD1 4.37Å; L48-L134 HydrophobicContact CD2-CD2 3.82Å; L48-L134 HydrophobicContact CG-CD1 4.3Å; R54-L134 WeakPolarHBondContact CA-O 3.14Å; D55-L134 PolarHBondContact N-O 2.9Å; N58-L134 PolarHBondContact ND2-O 3.21Å; L130-L134 HydrophobicContact CD1-CG 4.46Å; L130-L134 HydrophobicContact CG-CD1 4.42Å; L130-L134 PolarHBondContact O-N 3.44Å; I131-L134 PolarHBondContact O-N 3.4Å; L134-G136 PolarHBondContact O-N 3.38Å
135A95.6Very high91.1Very high0 Ų047.7 Ų47.70%025%0.253CS..THydrogen-bonded Turntrans-75.86178.400000115D55 M59 I62 I131 C132 W133 I137D55-A135 CarbonylContact O-C 3.52Å; D55-A135 VanDerWaalsContact O-C 3.31Å; D55-A135 WeakPolarHBondContact O-CA 3.32Å; M59-A135 HydrophobicContact CE-CB 3.55Å; M59-A135 HydrophobicContact SD-CB 4.21Å; I62-A135 HydrophobicContact CD1-CB 3.34Å; I131-A135 WeakPolarHBondContact O-CB 3.31Å; I131-A135 PolarHBondContact O-N 3.37Å; C132-A135 WeakPolarHBondContact O-CB 3.26Å; C132-A135 PolarHBondContact O-N 2.88Å; W133-A135 PolarHBondContact O-N 2.97Å; A135-I137 VanDerWaalsContact C-N 3.29Å; A135-I137 HydrophobicContact CB-CG1 4.39Å; A135-I137 PolarHBondContact O-N 3.43Å
136G93.8Very high90.4Very high8 Ų851.5 Ų51.58%0.08227%0.267CS..THydrogen-bonded Turntrans73.216.9-177.700000114.1T115 W133 L134 V138T115-G136 PolarHBondContact OG1-O 3.16Å; W133-G136 PolarHBondContact O-N 3.24Å; L134-G136 PolarHBondContact O-N 3.38Å; G136-V138 PolarHBondContact O-N 2.86Å
137I94.6Very high89.6Confident12 Ų1252.4 Ų52.46%0.06226%0.26CS..PPolyproline II helixtrans-60.9134.5176.3-66.9-174.4000110R54 M59 T115 T116 A118 C132 A135 F139R54-I137 PolarHBondContact NH1-O 2.86Å; R54-I137 PolarHBondContact NH2-O 3.49Å; M59-I137 HydrophobicContact CE-CD1 4.12Å; M59-I137 HydrophobicContact CE-CG1 3.86Å; T115-I137 WeakPolarHBondContact OG1-CA 3.35Å; T115-I137 PolarHBondContact OG1-N 3.46Å; T116-I137 HydrophobicContact CG2-CB 4.46Å; T116-I137 HydrophobicContact CG2-CD1 3.56Å; T116-I137 HydrophobicContact CG2-CG1 3.73Å; T116-I137 HydrophobicContact CG2-CG2 4.04Å; T116-I137 WeakPolarHBondContact O-CG2 3.16Å; A118-I137 HydrophobicContact CB-CG2 3.61Å; C132-I137 HydrophobicContact CB-CB 4.44Å; C132-I137 HydrophobicContact CB-CD1 3.7Å; C132-I137 HydrophobicContact CB-CG1 4.42Å; C132-I137 WeakPolarHBondContact O-CB 3.42Å; C132-I137 WeakPolarHBondContact O-CG1 3.25Å; C132-I137 PolarHBondContact O-N 2.88Å; A135-I137 VanDerWaalsContact C-N 3.29Å; A135-I137 HydrophobicContact CB-CG1 4.39Å; A135-I137 PolarHBondContact O-N 3.43Å; I137-F139 HydrophobicContact CB-CE2 4.39Å; I137-F139 HydrophobicContact CB-CZ 4.33Å; I137-F139 HydrophobicContact CG2-CE1 4.17Å; I137-F139 HydrophobicContact CG2-CE2 4.36Å; I137-F139 HydrophobicContact CG2-CZ 4.1Å; I137-F139 WeakPolarHBondContact O-CD2 3.4Å; I137-F139 WeakPolarHBondContact O-CE2 3.26Å
138V91.9Very high88.6Confident26 Ų2651.5 Ų51.516%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-89.9119.6179.8-179.10000108.6T115 T116 I117 A118 G136 I140 V151T115-V138 HydrophobicContact CG2-CG2 4.45Å; T116-V138 PolarHBondContact O-N 3.48Å; I117-V138 CarbonylContact C-O 3.55Å; I117-V138 WeakPolarHBondContact CA-O 3.34Å; I117-V138 HydrophobicContact CG1-CB 4.14Å; I117-V138 HydrophobicContact CG1-CG1 4.4Å; A118-V138 PolarHBondContact N-O 3.01Å; G136-V138 PolarHBondContact O-N 2.86Å; V138-I140 HydrophobicContact CG1-CG2 4.39Å; V138-V151 HydrophobicContact CG1-CG1 3.33Å
139F90.3Very high87.8Confident37 Ų3756.3 Ų56.316%0.16227%0.274CS..EExtended strand (participates in β ladder)trans-100.6122-176.9-66.4-80.8000110.7A118 L122 V123 C132 W133 I137A118-F139 HydrophobicContact CB-CD1 4.08Å; A118-F139 HydrophobicContact CB-CE1 4.19Å; A118-F139 WeakPolarHBondContact O-CA 3.14Å; L122-F139 HydrophobicContact CB-CD1 4.44Å; L122-F139 HydrophobicContact CB-CE1 4.01Å; L122-F139 HydrophobicContact CD2-CE1 4.42Å; L122-F139 HydrophobicContact CG-CE1 4.32Å; V123-F139 HydrophobicContact CB-CD1 4.21Å; V123-F139 HydrophobicContact CB-CE1 4Å; V123-F139 HydrophobicContact CB-CE2 4.41Å; V123-F139 HydrophobicContact CB-CZ 4.1Å; V123-F139 HydrophobicContact CG2-CE2 4.19Å; V123-F139 HydrophobicContact CG2-CZ 4.17Å; C132-F139 HydrophobicContact CB-CZ 3.96Å; W133-F139 HydrophobicContact CB-CE2 3.9Å; W133-F139 HydrophobicContact CB-CZ 4.32Å; W133-F139 HydrophobicContact CG-CE2 4.44Å; I137-F139 HydrophobicContact CB-CE2 4.39Å; I137-F139 HydrophobicContact CB-CZ 4.33Å; I137-F139 HydrophobicContact CG2-CE1 4.17Å; I137-F139 HydrophobicContact CG2-CE2 4.36Å; I137-F139 HydrophobicContact CG2-CZ 4.1Å; I137-F139 WeakPolarHBondContact O-CD2 3.4Å; I137-F139 WeakPolarHBondContact O-CE2 3.26Å
140I86.6Confident87.2Confident13 Ų1359.4 Ų59.47%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-114.9141.1-178.965.9164.2000112.4I117 A118 K120 V138 R142 V151I117-I140 HydrophobicContact CG2-CB 4.32Å; I117-I140 HydrophobicContact CG2-CD1 3.55Å; I117-I140 HydrophobicContact CG2-CG1 3.57Å; I117-I140 HydrophobicContact CG2-CG2 3.82Å; A118-I140 PolarHBondContact O-N 3.37Å; K120-I140 PolarHBondContact N-O 3.42Å; V138-I140 HydrophobicContact CG1-CG2 4.39Å; I140-R142 HydrophobicContact CD1-CG 3.62Å; I140-R142 HydrophobicContact CG1-CG 3.76Å; I140-R142 PolarHBondContact O-N 3.17Å; I140-V151 HydrophobicContact CG2-CB 4.07Å; I140-V151 HydrophobicContact CG2-CG1 3.57Å
141N84.8Confident86.7Confident33 Ų3357.7 Ų57.718%0.17629%0.289CS..  trans-84.896.9165.8-173.7-7.9000109.8K120 K143 K144K120-N141 HydrophobicContact CD-CB 4.4Å; N141-K143 PolarHBondContact O-N 3.12Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.38Å; N141-K143 PolarHBondContact OD1-N 3.26Å; N141-K143 VanDerWaalsContact OD1-N 3.1Å; N141-K144 PolarHBondContact O-N 2.9Å; N141-K144 VanDerWaalsContact O-N 3.16Å
142R78.9Confident86Confident77 Ų7758 Ų5829%0.29129%0.29SS..THydrogen-bonded Turntrans-67.1-11.6-177.4-61.1-179.4-177.3175.50.7114I117 I140 G172I117-R142 PolarHBondContact O-NH2 3.22Å; I140-R142 HydrophobicContact CD1-CG 3.62Å; I140-R142 HydrophobicContact CG1-CG 3.76Å; I140-R142 PolarHBondContact O-N 3.17Å; R142-G172 PolarHBondContact NH1-O 3.32Å
143K80.1Confident85.4Confident181 Ų18158.6 Ų58.679%0.78730%0.296SS*.THydrogen-bonded Turntrans-87.1-16.5177.5-61.1-176.9179.1-178.90112.9N141N141-K143 PolarHBondContact O-N 3.12Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.38Å; N141-K143 PolarHBondContact OD1-N 3.26Å; N141-K143 VanDerWaalsContact OD1-N 3.1Å
144K81.3Confident84.9Confident119 Ų11957.7 Ų57.752%0.51730%0.3SS..  trans-114.2100.1-180-72-172.5173.1-169.30109.7N141 N146 D147 A148N141-K144 PolarHBondContact O-N 2.9Å; N141-K144 VanDerWaalsContact O-N 3.16Å; K144-N146 VanDerWaalsContact C-N 3.33Å; K144-N146 PolarHBondContact O-N 3.38Å; K144-D147 HydrophobicContact CB-CB 3.93Å; K144-D147 WeakPolarHBondContact CB-OD2 3.35Å; K144-D147 WeakPolarHBondContact CD-OD2 3.48Å; K144-D147 PolarHBondContact O-N 3.41Å; K144-A148 PolarHBondContact O-N 2.93Å
145T77Confident84.4Confident94 Ų9457.9 Ų57.958%0.57730%0.302SS*.Hα-helixtrans-59.1-40.6-173.9-53.90000113A148 K149T145-A148 PolarHBondContact O-N 3.32Å; T145-K149 WeakPolarHBondContact O-CG 3.28Å; T145-K149 PolarHBondContact O-N 3.47Å
146N77.8Confident84Confident126 Ų12658 Ų5867%0.67430%0.303SS*.Hα-helixtrans-66.5-45.7179.8-68.5-9000111.6K144 A148 K149 S150K144-N146 VanDerWaalsContact C-N 3.33Å; K144-N146 PolarHBondContact O-N 3.38Å; N146-A148 VanDerWaalsContact C-N 3.29Å; N146-A148 PolarHBondContact O-N 3.33Å; N146-K149 PolarHBondContact O-N 3Å; N146-S150 PolarHBondContact O-N 3.09Å
147D77.5Confident83.8Confident71 Ų7164.2 Ų64.238%0.3833%0.327SS..Hα-helixtrans-56.6-45.2174-59.312.2000110.8K144 K149 S150 V151K144-D147 HydrophobicContact CB-CB 3.93Å; K144-D147 WeakPolarHBondContact CB-OD2 3.35Å; K144-D147 WeakPolarHBondContact CD-OD2 3.48Å; K144-D147 PolarHBondContact O-N 3.41Å; D147-K149 VanDerWaalsContact C-N 3.33Å; D147-K149 PolarHBondContact O-N 3.43Å; D147-S150 PolarHBondContact O-N 3.48Å; D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.15Å; D147-V151 PolarHBondContact O-N 3.01Å
148A76.7Confident83.4Confident21 Ų2166.3 Ų66.317%0.17434%0.341CS..Hα-helixtrans-63.7-37.3179.600000112.5K144 T145 N146 M152K144-A148 PolarHBondContact O-N 2.93Å; T145-A148 PolarHBondContact O-N 3.32Å; N146-A148 VanDerWaalsContact C-N 3.29Å; N146-A148 PolarHBondContact O-N 3.33Å; A148-M152 WeakPolarHBondContact O-CB 3.43Å; A148-M152 WeakPolarHBondContact O-CG 3.45Å; A148-M152 PolarHBondContact O-N 3.38Å; A148-M152 VanDerWaalsContact O-N 3.11Å
149K78.6Confident83.4Confident139 Ų13965.3 Ų65.360%0.60434%0.335SS*.Hα-helixtrans-66.6-46.8175.4-74.7179.8177.1-175.20112T145 N146 D147 V151 M152 A153T145-K149 WeakPolarHBondContact O-CG 3.28Å; T145-K149 PolarHBondContact O-N 3.47Å; N146-K149 PolarHBondContact O-N 3Å; D147-K149 VanDerWaalsContact C-N 3.33Å; D147-K149 PolarHBondContact O-N 3.43Å; K149-V151 PolarHBondContact O-N 3.29Å; K149-M152 PolarHBondContact O-N 3.01Å; K149-A153 PolarHBondContact O-N 3.07Å
150S82.9Confident83.5Confident66 Ų6666.8 Ų66.846%0.46234%0.344SS..Hα-helixtrans-59.2-48.2177.8-169.90000111.3N146 D147 M152 A153 D154N146-S150 PolarHBondContact O-N 3.09Å; D147-S150 PolarHBondContact O-N 3.48Å; S150-M152 VanDerWaalsContact C-N 3.26Å; S150-M152 PolarHBondContact O-N 3.37Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.07Å; S150-D154 PolarHBondContact O-N 3.03Å
151V84.8Confident83.7Confident41 Ų4171.6 Ų71.625%0.24837%0.37CS..Hα-helixtrans-63.5-34.1179.7176.30000111.8V138 I140 D147 K149 A155V138-V151 HydrophobicContact CG1-CG1 3.33Å; I140-V151 HydrophobicContact CG2-CB 4.07Å; I140-V151 HydrophobicContact CG2-CG1 3.57Å; D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.15Å; D147-V151 PolarHBondContact O-N 3.01Å; K149-V151 PolarHBondContact O-N 3.29Å; V151-A155 VanDerWaalsContact O-CB 3.25Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.44Å
152M83.3Confident84Confident21 Ų2174.6 Ų74.610%0.10338%0.383CS..Hα-helixtrans-67.3-39.1173.8-74.2-69.4-154.700112.2I117 A148 K149 S150 A155 A156 L190I117-M152 HydrophobicContact CD1-CE 3.47Å; I117-M152 VanDerWaalsContact CD1-CE 3.47Å; I117-M152 HydrophobicContact CD1-SD 3.28Å; I117-M152 WeakPolarHBondContact CD1-SD 3.29Å; A148-M152 WeakPolarHBondContact O-CB 3.43Å; A148-M152 WeakPolarHBondContact O-CG 3.45Å; A148-M152 PolarHBondContact O-N 3.38Å; A148-M152 VanDerWaalsContact O-N 3.11Å; K149-M152 PolarHBondContact O-N 3.01Å; S150-M152 VanDerWaalsContact C-N 3.26Å; S150-M152 PolarHBondContact O-N 3.37Å; M152-A155 PolarHBondContact O-N 3.35Å; M152-A156 WeakPolarHBondContact O-CB 3.47Å; M152-A156 PolarHBondContact O-N 2.94Å; M152-L190 HydrophobicContact CB-CD1 4.4Å; M152-L190 WeakPolarHBondContact O-CD1 3.45Å; M152-L190 HydrophobicContact SD-CB 4.43Å; M152-L190 HydrophobicContact SD-CD1 3.69Å
153A83.3Confident84.7Confident31 Ų3175.3 Ų75.326%0.25639%0.39SS..Hα-helixtrans-65.2-42.7175.100000111.8K149 S150 A155 A156 K157K149-A153 PolarHBondContact O-N 3.07Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.07Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 3.27Å; A153-A156 WeakPolarHBondContact O-CB 3.26Å; A153-A156 PolarHBondContact O-N 3.28Å; A153-K157 PolarHBondContact O-N 3.01Å
154D86.8Confident85.4Confident92 Ų9266.9 Ų66.949%0.49235%0.353SS..Hα-helixtrans-64.1-39.9175.7-63.8-30.4000111.4S150 A156 K157 T158S150-D154 PolarHBondContact O-N 3.03Å; D154-A156 VanDerWaalsContact C-N 3.35Å; D154-K157 PolarHBondContact O-N 3.44Å; D154-T158 WeakPolarHBondContact O-CB 3.17Å; D154-T158 PolarHBondContact O-N 3.07Å; D154-T158 PolarHBondContact O-OG1 3.33Å
155A86.5Confident86.1Confident8 Ų863.2 Ų63.27%0.06634%0.336CS..Hα-helixtrans-63.6-40173.700000111.6V151 M152 A153 K157 T158 M159 L190V151-A155 VanDerWaalsContact O-CB 3.25Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.44Å; M152-A155 PolarHBondContact O-N 3.35Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 3.27Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.74Å; A155-T158 PolarHBondContact O-N 2.65Å; A155-M159 WeakPolarHBondContact O-CB 3.5Å; A155-M159 PolarHBondContact O-N 2.99Å; A155-L190 HydrophobicContact CB-CD1 3.83Å
156A87.1Confident87.1Confident3 Ų359 Ų593%0.02531%0.31CS..Hα-helixtrans-59.1-45.7175.600000111.4M152 A153 D154 M159 L160 L190 A194M152-A156 WeakPolarHBondContact O-CB 3.47Å; M152-A156 PolarHBondContact O-N 2.94Å; A153-A156 WeakPolarHBondContact O-CB 3.26Å; A153-A156 PolarHBondContact O-N 3.28Å; D154-A156 VanDerWaalsContact C-N 3.35Å; A156-M159 WeakPolarHBondContact O-CB 3.29Å; A156-M159 PolarHBondContact O-N 3.35Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 2.82Å; A156-L190 HydrophobicContact CB-CG 3.96Å; A156-A194 HydrophobicContact CB-CB 4.3Å
157K88.3Confident88Confident137 Ų13753 Ų5360%0.59628%0.278SS*.Hα-helixtrans-62.4-51.8176.6-177.9179.9178.6-173.20111.7A153 D154 A155 M159 L160 D161A153-K157 PolarHBondContact O-N 3.01Å; D154-K157 PolarHBondContact O-N 3.44Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.74Å; K157-M159 VanDerWaalsContact C-N 3.26Å; K157-M159 PolarHBondContact O-N 3.46Å; K157-L160 PolarHBondContact O-N 3.48Å; K157-L160 VanDerWaalsContact O-N 3.11Å; K157-D161 WeakPolarHBondContact CE-OD2 3.41Å; K157-D161 VanDerWaalsContact CG-OD2 3.3Å; K157-D161 WeakPolarHBondContact CG-OD2 3.39Å; K157-D161 PolarHBondContact O-N 3.1Å
158T87.7Confident88.9Confident57 Ų5750 Ų5035%0.3526%0.262SS..Hα-helixtrans-58.1-41.1179.3-52.20000111.5D154 A155 L160 E162D154-T158 WeakPolarHBondContact O-CB 3.17Å; D154-T158 PolarHBondContact O-N 3.07Å; D154-T158 PolarHBondContact O-OG1 3.33Å; A155-T158 PolarHBondContact O-N 2.65Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 3.46Å; T158-E162 HydrophobicContact CG2-CG 4.18Å; T158-E162 VanDerWaalsContact O-CB 3.31Å; T158-E162 WeakPolarHBondContact O-CB 3.3Å; T158-E162 PolarHBondContact O-N 3.01Å
159M91.2Very high89.9Confident4 Ų450 Ų502%0.0226%0.258CS..Hα-helixtrans-57.4-41.8178.4-169.1-175.454.500111.8P90 V92 A155 A156 K157 Q163 V164 L166 L190 A194 V196P90-M159 HydrophobicContact CB-CG 3.75Å; P90-M159 HydrophobicContact CB-SD 4.42Å; V92-M159 HydrophobicContact CG2-SD 4.06Å; A155-M159 WeakPolarHBondContact O-CB 3.5Å; A155-M159 PolarHBondContact O-N 2.99Å; A156-M159 WeakPolarHBondContact O-CB 3.29Å; A156-M159 PolarHBondContact O-N 3.35Å; K157-M159 VanDerWaalsContact C-N 3.26Å; K157-M159 PolarHBondContact O-N 3.46Å; M159-Q163 CarbonylContact O-C 3.31Å; M159-Q163 VanDerWaalsContact O-CA 3.31Å; M159-Q163 WeakPolarHBondContact O-CA 3.09Å; M159-Q163 PolarHBondContact O-N 3.18Å; M159-Q163 VanDerWaalsContact O-N 3.16Å; M159-V164 WeakPolarHBondContact CG-O 3.43Å; M159-V164 PolarHBondContact O-N 3.43Å; M159-L166 HydrophobicContact SD-CB 4.31Å; M159-L190 HydrophobicContact CE-CD2 3.67Å; M159-L190 HydrophobicContact SD-CD2 3.87Å; M159-A194 HydrophobicContact CE-CB 3.22Å; M159-V196 HydrophobicContact CE-CB 4.22Å; M159-V196 HydrophobicContact CE-CG1 3.85Å; M159-V196 HydrophobicContact CE-CG2 3.34Å; M159-V196 HydrophobicContact SD-CG2 3.97Å
160L91.9Very high90.7Very high68 Ų6843.6 Ų43.636%0.35623%0.231SC..Hα-helixtrans-75.7-53.1177.9-66.3175.2000112P90 A156 K157 T158 E162 Q163 A194 V196P90-L160 HydrophobicContact CG-CD2 4.03Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 2.82Å; K157-L160 PolarHBondContact O-N 3.48Å; K157-L160 VanDerWaalsContact O-N 3.11Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 3.46Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 3.4Å; L160-Q163 PolarHBondContact O-N 3.14Å; L160-Q163 PolarHBondContact O-NE2 3.06Å; L160-A194 HydrophobicContact CD1-CB 4.1Å; L160-A194 HydrophobicContact CD2-CB 4.31Å; L160-A194 HydrophobicContact CG-CB 4.19Å; L160-V196 HydrophobicContact CD2-CG1 3.89Å
161D92.4Very high91.3Very high115 Ų11540.9 Ų40.962%0.61521%0.211SC*.Hα-helixtrans-61.5-41.2-174.7-69.6-9.5000111.3K157K157-D161 WeakPolarHBondContact CE-OD2 3.41Å; K157-D161 VanDerWaalsContact CG-OD2 3.3Å; K157-D161 WeakPolarHBondContact CG-OD2 3.39Å; K157-D161 PolarHBondContact O-N 3.1Å
162E90.8Very high91.5Very high96 Ų9639.6 Ų39.645%0.44921%0.206SC..THydrogen-bonded Turntrans-99.7-0.1-176.4-59.5-176-170.800113.2R113 T158 L160 V164R113-E162 PolarHBondContact NH1-O 3.39Å; R113-E162 PolarHBondContact NH2-O 2.91Å; T158-E162 HydrophobicContact CG2-CG 4.18Å; T158-E162 VanDerWaalsContact O-CB 3.31Å; T158-E162 WeakPolarHBondContact O-CB 3.3Å; T158-E162 PolarHBondContact O-N 3.01Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 3.4Å; E162-V164 VanDerWaalsContact C-N 3.28Å; E162-V164 HydrophobicContact CB-CG2 3.77Å; E162-V164 PolarHBondContact O-N 2.81Å
163Q93.4Very high91.9Very high92 Ų9242.3 Ų42.343%0.4322%0.224SC..THydrogen-bonded Turntrans55.542.7-175.8-60.7-68.8-6600112.9M159 L160M159-Q163 CarbonylContact O-C 3.31Å; M159-Q163 VanDerWaalsContact O-CA 3.31Å; M159-Q163 WeakPolarHBondContact O-CA 3.09Å; M159-Q163 PolarHBondContact O-N 3.18Å; M159-Q163 VanDerWaalsContact O-N 3.16Å; L160-Q163 PolarHBondContact O-N 3.14Å; L160-Q163 PolarHBondContact O-NE2 3.06Å
164V94.6Very high92.4Very high4 Ų447.5 Ų47.52%0.02424%0.237CC..  trans-93149.3179.5170.40000109.5V56 P90 R113 T115 M159 E162V56-V164 HydrophobicContact CG1-CG1 4.29Å; V56-V164 HydrophobicContact CG2-CG1 4.3Å; V56-V164 HydrophobicContact CG2-CG2 4.19Å; P90-V164 WeakPolarHBondContact CB-O 3.38Å; R113-V164 CarbonylContact O-C 3.59Å; R113-V164 WeakPolarHBondContact O-CA 3.4Å; T115-V164 HydrophobicContact CG2-CG1 3.83Å; M159-V164 WeakPolarHBondContact CG-O 3.43Å; M159-V164 PolarHBondContact O-N 3.43Å; E162-V164 VanDerWaalsContact C-N 3.28Å; E162-V164 HydrophobicContact CB-CG2 3.77Å; E162-V164 PolarHBondContact O-N 2.81Å
165R96.4Very high92.7Very high41 Ų4143.7 Ų43.716%0.15522%0.216CC..EExtended strand (participates in β ladder)trans-101.4148.5171.2-65.3157.6176.273.213.9109.7T87 G89 Y91 D112 R113 C114 T115T87-R165 PolarHBondContact O-NH2 3.11Å; G89-R165 PolarHBondContact O-NH2 2.83Å; G89-R165 VanDerWaalsContact O-NH2 3.11Å; Y91-R165 HydrophobicContact CD1-CG 4.05Å; Y91-R165 HydrophobicContact CD2-CG 4.28Å; Y91-R165 HydrophobicContact CE1-CG 3.84Å; Y91-R165 HydrophobicContact CE2-CB 4.4Å; Y91-R165 HydrophobicContact CE2-CG 4.06Å; Y91-R165 HydrophobicContact CG-CG 4.27Å; Y91-R165 WeakPolarHBondContact O-CA 3.25Å; Y91-R165 VanDerWaalsContact OH-CD 3.31Å; Y91-R165 WeakPolarHBondContact OH-CD 3.36Å; Y91-R165 PolarHBondContact OH-NE 3.36Å; Y91-R165 VanDerWaalsContact OH-NE 3.07Å; D112-R165 PolarHBondContact O-NH1 2.91Å; R113-R165 PolarHBondContact O-N 3.49Å; C114-R165 CarbonylContact C-O 3.46Å; C114-R165 VanDerWaalsContact CA-O 3.27Å; C114-R165 WeakPolarHBondContact CA-O 3.31Å; C114-R165 HydrophobicContact CB-CB 3.92Å; C114-R165 PolarHBondContact SG-O 3Å; T115-R165 PolarHBondContact N-O 3.27Å
166L96.4Very high92.8Very high5 Ų545.3 Ų45.33%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-121.7119.3-175.9-170.171.2000112.8Y91 V92 I93 T115 I117 M159 V168 L190Y91-L166 PolarHBondContact O-N 2.81Å; V92-L166 CarbonylContact C-O 3.51Å; V92-L166 WeakPolarHBondContact CA-O 3.4Å; I93-L166 PolarHBondContact N-O 2.94Å; T115-L166 HydrophobicContact CG2-CD1 3.65Å; I117-L166 HydrophobicContact CD1-CD2 3.79Å; I117-L166 HydrophobicContact CD1-CG 4.46Å; I117-L166 HydrophobicContact CG1-CD1 4.07Å; I117-L166 HydrophobicContact CG1-CD2 4.25Å; I117-L166 HydrophobicContact CG1-CG 4.43Å; M159-L166 HydrophobicContact SD-CB 4.31Å; L166-V168 HydrophobicContact CD2-CG2 3.85Å; L166-V168 HydrophobicContact CG-CG2 3.88Å; L166-L190 HydrophobicContact CD2-CD1 3.46Å; L166-L190 VanDerWaalsContact CD2-CD1 3.46Å; L166-L190 HydrophobicContact CD2-CD2 4.09Å; L166-L190 HydrophobicContact CD2-CG 4.47Å
167W97.6Very high92.9Very high0 Ų051 Ų510%025%0.253CS..EExtended strand (participates in β ladder)trans-92.7121.7174.2-167.3-64000112I93 S95 M106 I109 L110 T115 T116 I117 F169 V201 F203I93-W167 HydrophobicContact CB-CD2 4.09Å; I93-W167 HydrophobicContact CB-CE3 3.93Å; I93-W167 HydrophobicContact CB-CG 4.39Å; I93-W167 HydrophobicContact CB-CZ3 4.49Å; I93-W167 HydrophobicContact CD1-CD2 4.4Å; I93-W167 HydrophobicContact CD1-CE3 3.48Å; I93-W167 VanDerWaalsContact CD1-CE3 3.48Å; I93-W167 HydrophobicContact CD1-CZ3 3.89Å; I93-W167 HydrophobicContact CG1-CE3 4.32Å; I93-W167 HydrophobicContact CG2-CD2 3.78Å; I93-W167 HydrophobicContact CG2-CE3 3.6Å; I93-W167 HydrophobicContact CG2-CG 4.47Å; I93-W167 HydrophobicContact CG2-CH2 4.04Å; I93-W167 HydrophobicContact CG2-CZ2 4.21Å; I93-W167 HydrophobicContact CG2-CZ3 3.74Å; S95-W167 PolarHBondContact OG-NE1 2.82Å; M106-W167 HydrophobicContact CB-CH2 4.47Å; M106-W167 HydrophobicContact CB-CZ2 4.33Å; M106-W167 HydrophobicContact CG-CD2 3.86Å; M106-W167 HydrophobicContact CG-CE3 3.95Å; M106-W167 HydrophobicContact CG-CG 4.47Å; M106-W167 HydrophobicContact CG-CH2 4.09Å; M106-W167 HydrophobicContact CG-CZ2 3.98Å; M106-W167 HydrophobicContact CG-CZ3 4.07Å; M106-W167 HydrophobicContact SD-CD2 3.96Å; M106-W167 HydrophobicContact SD-CG 3.95Å; I109-W167 HydrophobicContact CD1-CH2 3.72Å; I109-W167 HydrophobicContact CD1-CZ3 4.17Å; I109-W167 HydrophobicContact CG1-CH2 3.96Å; I109-W167 HydrophobicContact CG1-CZ3 4.11Å; L110-W167 HydrophobicContact CD1-CE3 3.89Å; L110-W167 HydrophobicContact CD1-CZ3 4.46Å; T115-W167 PolarHBondContact O-N 2.88Å; T116-W167 VanDerWaalsContact CA-O 3.25Å; T116-W167 WeakPolarHBondContact CA-O 3.44Å; T116-W167 WeakPolarHBondContact CB-O 3.48Å; T116-W167 PolarHBondContact OG1-O 2.86Å; I117-W167 PolarHBondContact N-O 3.48Å; W167-F169 AromaticContact CD1-CE2 3.63Å; W167-F169 AromaticContact CD1-CZ 3.87Å; W167-F169 AromaticContact NE1-CE1 3.7Å; W167-F169 AromaticContact NE1-CE2 3.56Å; W167-F169 AromaticContact NE1-CZ 3.28Å; W167-F169 VanDerWaalsContact NE1-CZ 3.28Å; W167-V201 HydrophobicContact CH2-CB 4.19Å; W167-V201 HydrophobicContact CH2-CG1 3.94Å; W167-V201 HydrophobicContact CH2-CG2 4.19Å; W167-V201 HydrophobicContact CZ2-CB 4.37Å; W167-V201 HydrophobicContact CZ2-CG1 4.26Å; W167-F203 HydrophobicContact CH2-CE2 4.43Å; W167-F203 HydrophobicContact CH2-CZ 4.49Å; W167-F203 AromaticContact CZ2-CE2 3.88Å; W167-F203 HydrophobicContact CZ2-CE2 3.88Å; W167-F203 HydrophobicContact CZ2-CZ 4.07Å
168V96.8Very high92.9Very high9 Ų946 Ų466%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-127.6140.9-178.2-168.60000111.1V92 I93 I94 S95 I117 L166 P170 A187V92-V168 HydrophobicContact CG1-CG2 4.25Å; I93-V168 PolarHBondContact O-N 3.22Å; I94-V168 VanDerWaalsContact CA-O 3.31Å; I94-V168 WeakPolarHBondContact CA-O 3.26Å; S95-V168 PolarHBondContact N-O 3.08Å; S95-V168 VanDerWaalsContact N-O 3.07Å; I117-V168 HydrophobicContact CD1-CG2 4.06Å; I117-V168 HydrophobicContact CG1-CG2 4.44Å; L166-V168 HydrophobicContact CD2-CG2 3.85Å; L166-V168 HydrophobicContact CG-CG2 3.88Å; V168-P170 VanDerWaalsContact O-CD 3.26Å; V168-P170 WeakPolarHBondContact O-CD 3.17Å; V168-A187 HydrophobicContact CB-CB 4.03Å; V168-A187 HydrophobicContact CG1-CB 3.89Å; V168-A187 HydrophobicContact CG2-CB 4.24Å
169F96.9Very high93.2Very high22 Ų2245.6 Ų45.610%0.09624%0.236CC..  trans-10293.3169.2-65.7-83.3000108.7S95 H97 D102 M106 W167 E171 G172S95-F169 WeakPolarHBondContact O-CA 3.3Å; S95-F169 WeakPolarHBondContact O-CD1 3.26Å; S95-F169 WeakPolarHBondContact OG-CD1 3.45Å; S95-F169 WeakPolarHBondContact OG-CE1 3.24Å; H97-F169 HydrophobicContact CB-CB 3.98Å; H97-F169 HydrophobicContact CB-CD1 3.56Å; H97-F169 HydrophobicContact CB-CE1 4.33Å; H97-F169 HydrophobicContact CB-CG 3.99Å; H97-F169 AromaticContact CG-CD1 3.78Å; H97-F169 AromaticContact CG-CG 3.97Å; H97-F169 AromaticContact ND1-CD1 3.84Å; H97-F169 AromaticContact ND1-CE1 3.89Å; D102-F169 HydrophobicContact CB-CE1 4.37Å; D102-F169 HydrophobicContact CB-CZ 4.41Å; M106-F169 HydrophobicContact SD-CE2 4.34Å; M106-F169 HydrophobicContact SD-CZ 4.3Å; W167-F169 AromaticContact CD1-CE2 3.63Å; W167-F169 AromaticContact CD1-CZ 3.87Å; W167-F169 AromaticContact NE1-CE1 3.7Å; W167-F169 AromaticContact NE1-CE2 3.56Å; W167-F169 AromaticContact NE1-CZ 3.28Å; W167-F169 VanDerWaalsContact NE1-CZ 3.28Å; F169-E171 PolarHBondContact O-N 2.9Å; F169-G172 PolarHBondContact O-N 3.34Å
170P96.1Very high93.5Very high3 Ų346.1 Ų46.12%0.01924%0.238CC..THydrogen-bonded Turntrans-67.4-19.8-169.827.7-37.3000113.9I94 S95 V168 G172 F183 K184 F188I94-P170 HydrophobicContact CB-CG 4.1Å; I94-P170 HydrophobicContact CG2-CG 4.41Å; S95-P170 WeakPolarHBondContact O-CD 3.31Å; V168-P170 VanDerWaalsContact O-CD 3.26Å; V168-P170 WeakPolarHBondContact O-CD 3.17Å; P170-G172 PolarHBondContact O-N 3.18Å; P170-F183 HydrophobicContact CB-CB 3.97Å; P170-F183 HydrophobicContact CB-CD1 4.01Å; P170-F183 HydrophobicContact CB-CD2 4.16Å; P170-F183 HydrophobicContact CB-CG 3.78Å; P170-F183 HydrophobicContact CG-CB 4.49Å; P170-F183 HydrophobicContact CG-CD1 3.73Å; P170-F183 HydrophobicContact CG-CD2 3.86Å; P170-F183 HydrophobicContact CG-CE1 3.8Å; P170-F183 HydrophobicContact CG-CE2 3.9Å; P170-F183 HydrophobicContact CG-CG 3.76Å; P170-F183 HydrophobicContact CG-CZ 3.88Å; P170-K184 WeakPolarHBondContact O-CB 3.39Å; P170-K184 WeakPolarHBondContact O-CG 3.48Å; P170-K184 PolarHBondContact O-N 3.44Å; P170-F188 HydrophobicContact CB-CE2 4.13Å
171E95.4Very high93.7Very high9 Ų945.2 Ų45.24%0.04223%0.234CC..THydrogen-bonded Turntrans-59.9-27170.9-65.4-175.9-99.500112.2N96 H97 F169 T173 N175 L181 F183N96-E171 WeakPolarHBondContact CA-OE1 3.44Å; N96-E171 VanDerWaalsContact CB-OE1 3.23Å; N96-E171 WeakPolarHBondContact CB-OE1 3.04Å; H97-E171 PolarHBondContact N-OE1 3.41Å; F169-E171 PolarHBondContact O-N 2.9Å; E171-T173 PolarHBondContact O-N 3.21Å; E171-T173 VanDerWaalsContact O-N 3.08Å; E171-N175 WeakPolarHBondContact OE2-CB 3.23Å; E171-N175 PolarHBondContact OE2-ND2 3.47Å; E171-N175 VanDerWaalsContact OE2-ND2 3.11Å; E171-L181 HydrophobicContact CB-CB 4.08Å; E171-L181 HydrophobicContact CB-CD1 4.46Å; E171-L181 HydrophobicContact CG-CB 3.93Å; E171-L181 VanDerWaalsContact OE2-CB 3.32Å; E171-L181 WeakPolarHBondContact OE2-CB 3.07Å; E171-L181 WeakPolarHBondContact OE2-CG 3.37Å; E171-L181 PolarHBondContact OE2-N 2.58Å; E171-F183 HydrophobicContact CG-CD1 4.03Å; E171-F183 HydrophobicContact CG-CE1 3.85Å
172G89.8Confident93.9Very high14 Ų1444.9 Ų44.914%0.14424%0.238CC..  trans70.80.4176.600000115.2R142 F169 P170R142-G172 PolarHBondContact NH1-O 3.32Å; F169-G172 PolarHBondContact O-N 3.34Å; P170-G172 PolarHBondContact O-N 3.18Å
173T90.9Very high94.2Very high79 Ų7941.3 Ų41.349%0.48522%0.221SC..SBendtrans-153.5168.1172.2-171.50000109.8E171 L181E171-T173 PolarHBondContact O-N 3.21Å; E171-T173 VanDerWaalsContact O-N 3.08Å; T173-L181 HydrophobicContact CG2-CD1 3.38Å
174R93.8Very high94.3Very high139 Ų13942.4 Ų42.453%0.52522%0.224SC..  trans-80.6143.6174.8-67.7166.3-175.9171.51.2110.6H97H97-R174 VanDerWaalsContact CD2-CG 3.41Å; H97-R174 WeakPolarHBondContact CD2-CG 3.49Å; H97-R174 WeakPolarHBondContact NE2-CG 3.31Å; H97-R174 PolarHBondContact NE2-NE 3.43Å; H97-R174 CarbonylContact O-C 3.45Å; H97-R174 VanDerWaalsContact O-CA 3.28Å; H97-R174 WeakPolarHBondContact O-CA 3.37Å
175N92.8Very high94.2Very high12 Ų1246.5 Ų46.56%0.06424%0.241CC..  trans-142.8125.7-174.4173.624.8000111.1H97 Q98 E171 N177 D179 L181H97-N175 PolarHBondContact O-N 2.78Å; Q98-N175 VanDerWaalsContact CA-O 3.26Å; Q98-N175 WeakPolarHBondContact CA-O 3.48Å; Q98-N175 WeakPolarHBondContact CG-O 3.27Å; E171-N175 WeakPolarHBondContact OE2-CB 3.23Å; E171-N175 PolarHBondContact OE2-ND2 3.47Å; E171-N175 VanDerWaalsContact OE2-ND2 3.11Å; N175-N177 VanDerWaalsContact OD1-CB 3.31Å; N175-N177 WeakPolarHBondContact OD1-CB 3.44Å; N175-N177 PolarHBondContact OD1-N 2.79Å; N175-D179 PolarHBondContact ND2-O 3.33Å; N175-L181 HydrophobicContact CB-CD1 3.91Å; N175-L181 HydrophobicContact CB-CG 3.88Å; N175-L181 WeakPolarHBondContact ND2-CG 3.4Å; N175-L181 PolarHBondContact ND2-N 2.98Å
176Q89.8Confident93.9Very high42 Ų4245.8 Ų45.820%0.19625%0.247CC..  trans-123.423.6176.5-59-168.4-89.600111.6Q98 G178 Y210Q98-Q176 WeakPolarHBondContact O-CG 3.33Å; Q176-G178 PolarHBondContact O-N 3.47Å; Q176-Y210 PolarHBondContact NE2-O 3.5Å
177N88.4Confident93.8Very high124 Ų12445.6 Ų45.666%0.66325%0.246SC*.SBendtrans-83.86-173.7-63.3-14.1000113.6N175N175-N177 VanDerWaalsContact OD1-CB 3.31Å; N175-N177 WeakPolarHBondContact OD1-CB 3.44Å; N175-N177 PolarHBondContact OD1-N 2.79Å
178G87.9Confident93.7Very high31 Ų3145.6 Ų45.632%0.3225%0.246SC..SBendtrans83.310.1177.500000115.5Q176 F255Q176-G178 PolarHBondContact O-N 3.47Å; G178-F255 WeakPolarHBondContact O-CE1 3.17Å
179D94.6Very high93.6Very high49 Ų4948.9 Ų48.926%0.26226%0.261SS..SBendtrans-149.6175.6173-157.2-13.2000109.1N175 R252N175-D179 PolarHBondContact ND2-O 3.33Å; D179-R252 WeakPolarHBondContact OD1-CD 3.48Å; D179-R252 WeakPolarHBondContact OD1-CG 3.48Å; D179-R252 IonicContact OD1-CZ 3.58Å; D179-R252 IonicContact OD1-NE 2.85Å; D179-R252 PolarHBondContact OD1-NE 3.42Å; D179-R252 IonicContact OD1-NH2 3.31Å; D179-R252 IonicContact OD2-CZ 3.83Å; D179-R252 IonicContact OD2-NE 2.65Å; D179-R252 PolarHBondContact OD2-NE 3.38Å; D179-R252 IonicContact OD2-NH2 2.84Å; D179-R252 PolarHBondContact OD2-NH2 2.92Å
180L96.3Very high93.5Very high15 Ų1547.9 Ų47.98%0.07926%0.257CS..PPolyproline II helixtrans-84.6147.1175.1-85.560.7000111.7N96 F183 M251 R252 F255N96-L180 HydrophobicContact CB-CD1 4.25Å; N96-L180 HydrophobicContact CB-CD2 4.44Å; N96-L180 HydrophobicContact CB-CG 4.07Å; L180-F183 HydrophobicContact CD2-CE1 4.06Å; L180-F183 HydrophobicContact CD2-CZ 3.87Å; L180-M251 HydrophobicContact CD2-CB 3.74Å; L180-R252 HydrophobicContact CD2-CB 4.38Å; L180-F255 HydrophobicContact CD1-CB 3.65Å; L180-F255 HydrophobicContact CD1-CD1 3.77Å; L180-F255 HydrophobicContact CD1-CD2 3.87Å; L180-F255 HydrophobicContact CD1-CE1 4.4Å; L180-F255 HydrophobicContact CD1-CE2 4.49Å; L180-F255 HydrophobicContact CD1-CG 3.47Å; L180-F255 VanDerWaalsContact CD1-CG 3.47Å
181L97Very high93.5Very high49 Ų4947.8 Ų47.826%0.25726%0.256SS..PPolyproline II helixtrans-79.9158.1166.9-62.5179.2000111.5E171 T173 N175 F183 H248E171-L181 HydrophobicContact CB-CB 4.08Å; E171-L181 HydrophobicContact CB-CD1 4.46Å; E171-L181 HydrophobicContact CG-CB 3.93Å; E171-L181 VanDerWaalsContact OE2-CB 3.32Å; E171-L181 WeakPolarHBondContact OE2-CB 3.07Å; E171-L181 WeakPolarHBondContact OE2-CG 3.37Å; E171-L181 PolarHBondContact OE2-N 2.58Å; T173-L181 HydrophobicContact CG2-CD1 3.38Å; N175-L181 HydrophobicContact CB-CD1 3.91Å; N175-L181 HydrophobicContact CB-CG 3.88Å; N175-L181 WeakPolarHBondContact ND2-CG 3.4Å; N175-L181 PolarHBondContact ND2-N 2.98Å; L181-F183 WeakPolarHBondContact O-CD1 3.37Å; L181-F183 PolarHBondContact O-N 2.94Å; L181-H248 PolarHBondContact O-CD2 2.87Å; L181-H248 PolarHBondContact O-NE2 3.5Å
182P96.9Very high93.5Very high108 Ų10847.7 Ų47.770%0.70126%0.256SS*.PPolyproline II helixtrans-52.9137.7169.3-25.934.7000112.3
183F97.4Very high93.7Very high21 Ų2152.8 Ų52.89%0.09228%0.276CS..PPolyproline II helixtrans-81.3138.6-178.6-73.9-2.4000112.4I94 P170 E171 L180 L181 F188 H248 M251I94-F183 HydrophobicContact CD1-CE2 4.33Å; P170-F183 HydrophobicContact CB-CB 3.97Å; P170-F183 HydrophobicContact CB-CD1 4.01Å; P170-F183 HydrophobicContact CB-CD2 4.16Å; P170-F183 HydrophobicContact CB-CG 3.78Å; P170-F183 HydrophobicContact CG-CB 4.49Å; P170-F183 HydrophobicContact CG-CD1 3.73Å; P170-F183 HydrophobicContact CG-CD2 3.86Å; P170-F183 HydrophobicContact CG-CE1 3.8Å; P170-F183 HydrophobicContact CG-CE2 3.9Å; P170-F183 HydrophobicContact CG-CG 3.76Å; P170-F183 HydrophobicContact CG-CZ 3.88Å; E171-F183 HydrophobicContact CG-CD1 4.03Å; E171-F183 HydrophobicContact CG-CE1 3.85Å; L180-F183 HydrophobicContact CD2-CE1 4.06Å; L180-F183 HydrophobicContact CD2-CZ 3.87Å; L181-F183 WeakPolarHBondContact O-CD1 3.37Å; L181-F183 PolarHBondContact O-N 2.94Å; F183-F188 HydrophobicContact CB-CE2 4.07Å; F183-F188 HydrophobicContact CD2-CE2 4.05Å; F183-F188 AromaticContact CD2-CZ 3.71Å; F183-F188 HydrophobicContact CD2-CZ 3.71Å; F183-F188 HydrophobicContact CE2-CZ 4.39Å; F183-F188 HydrophobicContact CG-CE2 4.47Å; F183-H248 AromaticContact CD1-CD2 3.76Å; F183-H248 HydrophobicContact CD2-CB 3.75Å; F183-H248 AromaticContact CE1-CD2 3.76Å; F183-H248 VanDerWaalsContact CE2-CA 3.47Å; F183-H248 HydrophobicContact CE2-CB 3.84Å; F183-H248 HydrophobicContact CG-CB 4.25Å; F183-H248 HydrophobicContact CZ-CB 4.38Å; F183-M251 HydrophobicContact CE2-SD 3.61Å; F183-M251 HydrophobicContact CZ-CB 4.43Å; F183-M251 HydrophobicContact CZ-CE 3.96Å; F183-M251 HydrophobicContact CZ-SD 3.55Å; F183-M251 VanDerWaalsContact CZ-SD 3.55Å
184K93.8Very high93.9Very high115 Ų11549.5 Ų49.550%0.526%0.256SS..PPolyproline II helixtrans-77.4137165.7-61.6-170.3178.5-1640109.6P170 G186P170-K184 WeakPolarHBondContact O-CB 3.39Å; P170-K184 WeakPolarHBondContact O-CG 3.48Å; P170-K184 PolarHBondContact O-N 3.44Å; K184-G186 VanDerWaalsContact C-N 3.26Å; K184-G186 PolarHBondContact O-N 3.47Å
185K92.9Very high94Very high89 Ų8946.8 Ų46.839%0.38725%0.25SC..THydrogen-bonded Turntrans-73.9-6.6-173.9-65.5-178.8176.5-177.30115.6A187 F188 H189 V240 S241K185-A187 PolarHBondContact O-N 2.74Å; K185-F188 PolarHBondContact O-N 3Å; K185-F188 VanDerWaalsContact O-N 3.15Å; K185-H189 PolarHBondContact O-CD2 2.66Å; K185-H189 PolarHBondContact O-N 2.8Å; K185-V240 HydrophobicContact CB-CG1 4.02Å; K185-V240 HydrophobicContact CD-CG1 4.4Å; K185-V240 HydrophobicContact CG-CG1 4.39Å; K185-S241 WeakPolarHBondContact CE-OG 3.25Å; K185-S241 VanDerWaalsContact NZ-CB 3.32Å; K185-S241 PolarHBondContact NZ-OG 3.36Å
186G91.1Very high94.2Very high26 Ų2646.5 Ų46.527%0.26825%0.248SC..Hα-helixtrans-61.1-42-172.500000114.3K184 F188 L190K184-G186 VanDerWaalsContact C-N 3.26Å; K184-G186 PolarHBondContact O-N 3.47Å; G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3.23Å; G186-L190 WeakPolarHBondContact O-CB 3.16Å; G186-L190 PolarHBondContact O-N 3.21Å; G186-L190 VanDerWaalsContact O-N 3.09Å
187A93.6Very high94.6Very high2 Ų245.2 Ų45.22%0.01724%0.244CC..Hα-helixtrans-64.3-35.5177.400000112.1V92 I94 V168 K185 L190 A191V92-A187 HydrophobicContact CG1-CB 4.36Å; I94-A187 HydrophobicContact CG2-CB 4.15Å; V168-A187 HydrophobicContact CB-CB 4.03Å; V168-A187 HydrophobicContact CG1-CB 3.89Å; V168-A187 HydrophobicContact CG2-CB 4.24Å; K185-A187 PolarHBondContact O-N 2.74Å; A187-L190 PolarHBondContact O-N 3.42Å; A187-A191 WeakPolarHBondContact O-CB 3.36Å; A187-A191 PolarHBondContact O-N 3.42Å
188F96.2Very high95.1Very high0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-75-41.8-178.5-57.8-81.1000111.5I94 P170 F183 K185 G186 L190 A191 V192 I198 V240 L243 S247I94-F188 HydrophobicContact CD1-CE1 3.95Å; I94-F188 HydrophobicContact CD1-CZ 3.85Å; P170-F188 HydrophobicContact CB-CE2 4.13Å; F183-F188 HydrophobicContact CB-CE2 4.07Å; F183-F188 HydrophobicContact CD2-CE2 4.05Å; F183-F188 AromaticContact CD2-CZ 3.71Å; F183-F188 HydrophobicContact CD2-CZ 3.71Å; F183-F188 HydrophobicContact CE2-CZ 4.39Å; F183-F188 HydrophobicContact CG-CE2 4.47Å; K185-F188 PolarHBondContact O-N 3Å; K185-F188 VanDerWaalsContact O-N 3.15Å; G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3.23Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.22Å; F188-A191 PolarHBondContact O-N 3.03Å; F188-V192 WeakPolarHBondContact O-CB 3.23Å; F188-V192 WeakPolarHBondContact O-CG2 3.41Å; F188-V192 PolarHBondContact O-N 2.72Å; F188-I198 HydrophobicContact CD1-CD1 3.43Å; F188-I198 VanDerWaalsContact CD1-CD1 3.43Å; F188-I198 HydrophobicContact CE1-CD1 3.81Å; F188-I198 HydrophobicContact CG-CD1 4.41Å; F188-V240 HydrophobicContact CB-CG1 3.82Å; F188-L243 HydrophobicContact CB-CD2 4.34Å; F188-L243 HydrophobicContact CD1-CD2 4.07Å; F188-L243 HydrophobicContact CD1-CG 3.89Å; F188-S247 WeakPolarHBondContact CE1-OG 3.32Å
189H94.2Very high95.6Very high78 Ų7837.9 Ų37.936%0.36120%0.197SC..Hα-helixtrans-57.2-44.5169.2-82.8-66.3000111.7K185 V192 Q193K185-H189 PolarHBondContact O-CD2 2.66Å; K185-H189 PolarHBondContact O-N 2.8Å; H189-V192 PolarHBondContact O-N 3.31Å; H189-Q193 WeakPolarHBondContact O-CB 3.18Å; H189-Q193 PolarHBondContact O-N 2.94Å
190L94.1Very high95.8Very high1 Ų135.6 Ų35.61%0.00519%0.185CC..Hα-helixtrans-61.4-47.5177.9-178.4154.5000111.5V92 M152 A155 A156 M159 L166 G186 A187 F188 V192 Q193 A194V92-L190 HydrophobicContact CG2-CD2 3.41Å; V92-L190 VanDerWaalsContact CG2-CD2 3.41Å; M152-L190 HydrophobicContact CB-CD1 4.4Å; M152-L190 WeakPolarHBondContact O-CD1 3.45Å; M152-L190 HydrophobicContact SD-CB 4.43Å; M152-L190 HydrophobicContact SD-CD1 3.69Å; A155-L190 HydrophobicContact CB-CD1 3.83Å; A156-L190 HydrophobicContact CB-CG 3.96Å; M159-L190 HydrophobicContact CE-CD2 3.67Å; M159-L190 HydrophobicContact SD-CD2 3.87Å; L166-L190 HydrophobicContact CD2-CD1 3.46Å; L166-L190 VanDerWaalsContact CD2-CD1 3.46Å; L166-L190 HydrophobicContact CD2-CD2 4.09Å; L166-L190 HydrophobicContact CD2-CG 4.47Å; G186-L190 WeakPolarHBondContact O-CB 3.16Å; G186-L190 PolarHBondContact O-N 3.21Å; G186-L190 VanDerWaalsContact O-N 3.09Å; A187-L190 PolarHBondContact O-N 3.42Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.22Å; L190-V192 PolarHBondContact O-N 2.92Å; L190-Q193 PolarHBondContact O-N 3.01Å; L190-A194 WeakPolarHBondContact O-CB 3.43Å; L190-A194 PolarHBondContact O-N 3.46Å
191A96.4Very high95.9Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-62.8-42.9-179.800000112.2V92 A187 F188 Q195 V196 I198 T232V92-A191 HydrophobicContact CB-CB 4.39Å; V92-A191 HydrophobicContact CG2-CB 3.93Å; A187-A191 WeakPolarHBondContact O-CB 3.36Å; A187-A191 PolarHBondContact O-N 3.42Å; F188-A191 PolarHBondContact O-N 3.03Å; A191-Q195 WeakPolarHBondContact O-CA 3.37Å; A191-Q195 PolarHBondContact O-N 3.45Å; A191-V196 HydrophobicContact CB-CG2 4.49Å; A191-V196 PolarHBondContact O-N 2.83Å; A191-I198 HydrophobicContact CB-CD1 3.69Å; A191-I198 HydrophobicContact CB-CG1 3.5Å; A191-I198 VanDerWaalsContact CB-CG1 3.5Å; A191-T232 HydrophobicContact CB-CG2 4.01Å; A191-T232 PolarHBondContact O-OG1 2.81Å
192V96.5Very high96Very high7 Ų732.5 Ų32.54%0.04217%0.169CC..Hα-helixtrans-66.5-45.5175.3170.10000111.1F188 H189 L190 A194 Q195 L235 V240 L243F188-V192 WeakPolarHBondContact O-CB 3.23Å; F188-V192 WeakPolarHBondContact O-CG2 3.41Å; F188-V192 PolarHBondContact O-N 2.72Å; H189-V192 PolarHBondContact O-N 3.31Å; L190-V192 PolarHBondContact O-N 2.92Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 3.33Å; V192-Q195 PolarHBondContact O-N 2.82Å; V192-Q195 VanDerWaalsContact O-N 3.11Å; V192-Q195 PolarHBondContact O-NE2 2.89Å; V192-L235 HydrophobicContact CG1-CB 4.39Å; V192-L235 WeakPolarHBondContact CG1-O 3.37Å; V192-L235 HydrophobicContact CG2-CB 4.13Å; V192-V240 HydrophobicContact CB-CG2 4.23Å; V192-V240 HydrophobicContact CG1-CG2 4.46Å; V192-V240 HydrophobicContact CG2-CG2 3.95Å; V192-L243 HydrophobicContact CG2-CD2 3.8Å
193Q93.5Very high96Very high122 Ų12227.4 Ų27.457%0.5714%0.135SC*.Hα-helixtrans-61.5-40.8179.2-178.8-179.8-5.700111.9H189 L190 Q195H189-Q193 WeakPolarHBondContact O-CB 3.18Å; H189-Q193 PolarHBondContact O-N 2.94Å; L190-Q193 PolarHBondContact O-N 3.01Å; Q193-Q195 VanDerWaalsContact C-N 3.31Å
194A94.5Very high96Very high9 Ų926.4 Ų26.47%0.07413%0.131CC..Hα-helixtrans-83.2-7.9177.900000113.5A156 M159 L160 L190 V192 V196A156-A194 HydrophobicContact CB-CB 4.3Å; M159-A194 HydrophobicContact CE-CB 3.22Å; L160-A194 HydrophobicContact CD1-CB 4.1Å; L160-A194 HydrophobicContact CD2-CB 4.31Å; L160-A194 HydrophobicContact CG-CB 4.19Å; L190-A194 WeakPolarHBondContact O-CB 3.43Å; L190-A194 PolarHBondContact O-N 3.46Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 3.33Å; A194-V196 HydrophobicContact CB-CG1 3.99Å; A194-V196 HydrophobicContact CB-CG2 4.12Å; A194-V196 PolarHBondContact O-N 3.49Å
195Q95.6Very high96.1Very high83 Ų8321.6 Ų21.639%0.38811%0.112SC..THydrogen-bonded Turntrans52.539.2-174.3-61-76.6-64.100112.5A191 V192 Q193 L235A191-Q195 WeakPolarHBondContact O-CA 3.37Å; A191-Q195 PolarHBondContact O-N 3.45Å; V192-Q195 PolarHBondContact O-N 2.82Å; V192-Q195 VanDerWaalsContact O-N 3.11Å; V192-Q195 PolarHBondContact O-NE2 2.89Å; Q193-Q195 VanDerWaalsContact C-N 3.31Å; Q195-L235 PolarHBondContact NE2-O 3.44Å
196V97.2Very high96.2Very high6 Ų617.4 Ų17.44%0.0369%0.094CC..  trans-109.3148.3178-57.50000111.3P90 V92 M159 L160 A191 A194 T232P90-V196 HydrophobicContact CB-CG1 4.22Å; P90-V196 HydrophobicContact CG-CG1 3.87Å; P90-V196 WeakPolarHBondContact O-CB 3.42Å; V92-V196 HydrophobicContact CG2-CG2 3.99Å; M159-V196 HydrophobicContact CE-CB 4.22Å; M159-V196 HydrophobicContact CE-CG1 3.85Å; M159-V196 HydrophobicContact CE-CG2 3.34Å; M159-V196 HydrophobicContact SD-CG2 3.97Å; L160-V196 HydrophobicContact CD2-CG1 3.89Å; A191-V196 HydrophobicContact CB-CG2 4.49Å; A191-V196 PolarHBondContact O-N 2.83Å; A194-V196 HydrophobicContact CB-CG1 3.99Å; A194-V196 HydrophobicContact CB-CG2 4.12Å; A194-V196 PolarHBondContact O-N 3.49Å; V196-T232 PolarHBondContact N-OG1 2.63Å; V196-T232 VanDerWaalsContact O-CG2 3.27Å; V196-T232 WeakPolarHBondContact O-CG2 3.27Å; V196-T232 PolarHBondContact O-OG1 3.11Å
197P98.1Very high96.3Very high15 Ų1518.8 Ų18.810%0.09710%0.095CC..  trans-69.2160.4-178.427.5-33.3000112.5T87 Y91 V92 K229 I230T87-P197 HydrophobicContact CG2-CG 4.23Å; Y91-P197 WeakPolarHBondContact CA-O 3.31Å; Y91-P197 WeakPolarHBondContact CB-O 3.23Å; V92-P197 PolarHBondContact N-O 3.35Å; P197-K229 HydrophobicContact CB-CB 4.12Å; P197-K229 HydrophobicContact CB-CD 4Å; P197-K229 HydrophobicContact CG-CD 4.21Å; P197-I230 WeakPolarHBondContact CA-O 3.24Å
198I98.6Very high96.2Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-106130.9172.5-60.8178.2000109.3V92 I94 F188 A191 K229 I230 T232 L243V92-I198 HydrophobicContact CB-CG1 4.37Å; V92-I198 CarbonylContact O-C 3.59Å; V92-I198 VanDerWaalsContact O-CA 3.26Å; V92-I198 WeakPolarHBondContact O-CA 3.48Å; I94-I198 HydrophobicContact CB-CG2 4.4Å; I94-I198 HydrophobicContact CD1-CG2 3.64Å; I94-I198 HydrophobicContact CG1-CG2 3.63Å; I94-I198 HydrophobicContact CG2-CG2 4Å; F188-I198 HydrophobicContact CD1-CD1 3.43Å; F188-I198 VanDerWaalsContact CD1-CD1 3.43Å; F188-I198 HydrophobicContact CE1-CD1 3.81Å; F188-I198 HydrophobicContact CG-CD1 4.41Å; A191-I198 HydrophobicContact CB-CD1 3.69Å; A191-I198 HydrophobicContact CB-CG1 3.5Å; A191-I198 VanDerWaalsContact CB-CG1 3.5Å; I198-K229 CarbonylContact O-C 3.59Å; I198-K229 VanDerWaalsContact O-CA 3.29Å; I198-K229 WeakPolarHBondContact O-CA 3.33Å; I198-I230 HydrophobicContact CB-CB 4.45Å; I198-I230 PolarHBondContact N-O 3.46Å; I198-I230 PolarHBondContact O-N 2.77Å; I198-T232 HydrophobicContact CD1-CG2 4.39Å; I198-T232 HydrophobicContact CG1-CG2 4.19Å; I198-L243 HydrophobicContact CD1-CD2 3.84Å; I198-L243 HydrophobicContact CD1-CG 4.25Å
199I98.6Very high96Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-109.6111172.9-57.9-174.4000109.1H84 L85 Y91 V92 I93 I94 I226 K229H84-I199 VanDerWaalsContact O-CD1 3.27Å; H84-I199 WeakPolarHBondContact O-CD1 3.36Å; L85-I199 HydrophobicContact CD2-CD1 4.41Å; L85-I199 HydrophobicContact CD2-CG2 4.13Å; Y91-I199 HydrophobicContact CD1-CD1 4.29Å; Y91-I199 HydrophobicContact CD2-CB 4.47Å; Y91-I199 HydrophobicContact CD2-CD1 3.54Å; Y91-I199 HydrophobicContact CD2-CG1 3.95Å; Y91-I199 HydrophobicContact CE1-CD1 4.26Å; Y91-I199 HydrophobicContact CE2-CD1 3.54Å; Y91-I199 HydrophobicContact CE2-CG1 4.34Å; Y91-I199 HydrophobicContact CG-CD1 3.93Å; Y91-I199 HydrophobicContact CG-CG1 4.37Å; V92-I199 PolarHBondContact O-N 3.06Å; I93-I199 VanDerWaalsContact CA-O 3.31Å; I93-I199 WeakPolarHBondContact CA-O 3.07Å; I94-I199 PolarHBondContact N-O 3.18Å; I199-I226 HydrophobicContact CG2-CG2 3.68Å; I199-K229 HydrophobicContact CG1-CB 4.09Å
200P98.8Very high96.1Very high1 Ų117.8 Ų17.81%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-76.7133.3174.3-1126.7000111.8I94 L227 P228 I230 M251I94-P200 HydrophobicContact CD1-CB 4.47Å; I94-P200 HydrophobicContact CG1-CB 4.14Å; I94-P200 CarbonylContact O-C 3.57Å; P200-L227 HydrophobicContact CB-CB 4.02Å; P200-L227 HydrophobicContact CB-CD1 4Å; P200-L227 HydrophobicContact CB-CG 4.22Å; P200-L227 HydrophobicContact CG-CB 4.07Å; P200-L227 HydrophobicContact CG-CD1 4.43Å; P200-L227 PolarHBondContact O-N 2.84Å; P200-P228 WeakPolarHBondContact CD-O 3.39Å; P200-I230 HydrophobicContact CG-CD1 3.9Å; P200-I230 HydrophobicContact CG-CG1 4.34Å; P200-M251 HydrophobicContact CB-CG 3.61Å; P200-M251 HydrophobicContact CB-SD 3.91Å
201V98.8Very high96Very high0 Ų019.1 Ų19.10%010%0.102CC..EExtended strand (participates in β ladder)trans-123.6120.5173.4175.90000108.9I93 I94 S95 I109 W167 F203 I226I93-V201 HydrophobicContact CG2-CB 4.18Å; I93-V201 HydrophobicContact CG2-CG2 3.55Å; I94-V201 PolarHBondContact O-N 3.33Å; S95-V201 WeakPolarHBondContact CA-O 3.34Å; S95-V201 WeakPolarHBondContact CB-O 3.36Å; I109-V201 HydrophobicContact CD1-CG1 3.58Å; I109-V201 HydrophobicContact CD1-CG2 4.23Å; W167-V201 HydrophobicContact CH2-CB 4.19Å; W167-V201 HydrophobicContact CH2-CG1 3.94Å; W167-V201 HydrophobicContact CH2-CG2 4.19Å; W167-V201 HydrophobicContact CZ2-CB 4.37Å; W167-V201 HydrophobicContact CZ2-CG1 4.26Å; V201-F203 HydrophobicContact CG1-CD2 4.25Å; V201-F203 HydrophobicContact CG1-CE2 3.77Å; V201-I226 HydrophobicContact CG2-CG1 4.13Å; V201-I226 HydrophobicContact CG2-CG2 4.23Å
202V98.6Very high95.7Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-110.8123.5-175.1-171.50000110.4N96 L224 R225 L227 M251 A254 F255 I258N96-V202 WeakPolarHBondContact OD1-CA 3.18Å; V202-L224 CarbonylContact O-C 3.55Å; V202-L224 WeakPolarHBondContact O-CA 3.27Å; V202-R225 PolarHBondContact N-O 3.49Å; V202-R225 PolarHBondContact O-N 3.46Å; V202-L227 HydrophobicContact CG2-CD1 4.16Å; V202-L227 HydrophobicContact CG2-CG 4.41Å; V202-M251 HydrophobicContact CG2-CB 3.95Å; V202-M251 HydrophobicContact CG2-CE 4.29Å; V202-M251 HydrophobicContact CG2-CG 3.91Å; V202-A254 HydrophobicContact CB-CB 4.45Å; V202-A254 HydrophobicContact CG2-CB 4.05Å; V202-F255 HydrophobicContact CG1-CB 3.64Å; V202-F255 HydrophobicContact CG1-CD2 4.17Å; V202-F255 HydrophobicContact CG1-CG 4.43Å; V202-I258 HydrophobicContact CB-CD1 4.27Å; V202-I258 HydrophobicContact CG1-CD1 3.94Å
203F98.1Very high95.4Very high0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-93.7128.1173.4-68.7-116.8000108.8N96 Q98 D102 W167 V201 Y206 I222 L224 F255N96-F203 PolarHBondContact ND2-O 3.15Å; N96-F203 PolarHBondContact OD1-N 3.26Å; Q98-F203 PolarHBondContact NE2-O 2.98Å; D102-F203 HydrophobicContact CB-CE1 4.36Å; W167-F203 HydrophobicContact CH2-CE2 4.43Å; W167-F203 HydrophobicContact CH2-CZ 4.49Å; W167-F203 AromaticContact CZ2-CE2 3.88Å; W167-F203 HydrophobicContact CZ2-CE2 3.88Å; W167-F203 HydrophobicContact CZ2-CZ 4.07Å; V201-F203 HydrophobicContact CG1-CD2 4.25Å; V201-F203 HydrophobicContact CG1-CE2 3.77Å; F203-Y206 WeakPolarHBondContact CD1-OH 3.17Å; F203-I222 HydrophobicContact CD1-CG2 4.07Å; F203-L224 HydrophobicContact CB-CD2 4.18Å; F203-L224 HydrophobicContact CD1-CD2 3.19Å; F203-L224 HydrophobicContact CD2-CD2 3.74Å; F203-L224 HydrophobicContact CE1-CD2 3.35Å; F203-L224 HydrophobicContact CE2-CD2 3.8Å; F203-L224 HydrophobicContact CG-CD2 3.41Å; F203-L224 VanDerWaalsContact CG-CD2 3.41Å; F203-L224 HydrophobicContact CZ-CD2 3.63Å; F203-F255 WeakPolarHBondContact O-CD2 3.35Å; F203-F255 VanDerWaalsContact O-CE2 3.3Å; F203-F255 WeakPolarHBondContact O-CE2 3.49Å
204S97Very high95.4Very high0 Ų033.3 Ų33.30%016%0.159CC..PPolyproline II helixtrans-60.4155.2174630000111.9Q98 Y206 R223Q98-S204 PolarHBondContact NE2-O 3.21Å; S204-Y206 VanDerWaalsContact O-CD1 3.26Å; S204-Y206 WeakPolarHBondContact O-CD1 3.46Å; S204-Y206 WeakPolarHBondContact O-CE1 3.44Å; S204-Y206 PolarHBondContact O-N 2.88Å; S204-R223 PolarHBondContact N-O 2.72Å; S204-R223 PolarHBondContact OG-N 2.85Å; S204-R223 PolarHBondContact OG-O 2.97Å
205S96.3Very high95.4Very high15 Ų1536.2 Ų36.211%0.10517%0.17CC..PPolyproline II helixtrans-51.5135.6173.3-179.60000112N207 S259S205-N207 VanDerWaalsContact C-N 3.34Å; S205-N207 WeakPolarHBondContact OG-CB 3.48Å; S205-N207 PolarHBondContact OG-N 3.03Å; S205-N207 PolarHBondContact OG-ND2 3.12Å; S205-N207 PolarHBondContact OG-OD1 3.11Å; S205-S259 WeakPolarHBondContact CB-OG 3.47Å; S205-S259 PolarHBondContact N-OG 3.33Å
206Y95.2Very high95.3Very high0 Ų034.8 Ų34.80%016%0.163CC..  trans-88-1174.9-60.9-17.1000113.9Q98 S99 L101 D102 F203 S204 S208 F209 Y210 I222Q98-Y206 HydrophobicContact CB-CD2 3.81Å; Q98-Y206 HydrophobicContact CB-CE2 3.77Å; Q98-Y206 VanDerWaalsContact OE1-N 3.1Å; S99-Y206 WeakPolarHBondContact OG-CE2 3.33Å; L101-Y206 HydrophobicContact CB-CE2 4.26Å; D102-Y206 WeakPolarHBondContact OD1-CE2 3.35Å; D102-Y206 PolarHBondContact OD1-OH 3.16Å; F203-Y206 WeakPolarHBondContact CD1-OH 3.17Å; S204-Y206 VanDerWaalsContact O-CD1 3.26Å; S204-Y206 WeakPolarHBondContact O-CD1 3.46Å; S204-Y206 WeakPolarHBondContact O-CE1 3.44Å; S204-Y206 PolarHBondContact O-N 2.88Å; Y206-S208 PolarHBondContact O-N 3.31Å; Y206-F209 AromaticContact CD1-CE1 3.82Å; Y206-F209 HydrophobicContact CD1-CE1 3.82Å; Y206-F209 AromaticContact CD1-CZ 3.53Å; Y206-F209 HydrophobicContact CD1-CZ 3.53Å; Y206-F209 HydrophobicContact CE1-CZ 4.21Å; Y206-F209 HydrophobicContact CG-CE1 4.2Å; Y206-F209 HydrophobicContact CG-CE2 4.48Å; Y206-F209 AromaticContact CG-CZ 3.73Å; Y206-F209 HydrophobicContact CG-CZ 3.73Å; Y206-F209 PolarHBondContact O-N 3.35Å; Y206-Y210 PolarHBondContact O-N 2.95Å; Y206-I222 HydrophobicContact CD1-CG1 4.47Å; Y206-I222 HydrophobicContact CE1-CB 4.46Å; Y206-I222 HydrophobicContact CE1-CD1 4.43Å; Y206-I222 HydrophobicContact CE1-CG1 3.92Å; Y206-I222 HydrophobicContact CE1-CG2 4.02Å
207N92.2Very high95.2Very high56 Ų5634.8 Ų34.830%0.29916%0.162SC..THydrogen-bonded Turntrans-57.4-23.2-170.1-69.6-1.2000114.3S205 L211S205-N207 VanDerWaalsContact C-N 3.34Å; S205-N207 WeakPolarHBondContact OG-CB 3.48Å; S205-N207 PolarHBondContact OG-N 3.03Å; S205-N207 PolarHBondContact OG-ND2 3.12Å; S205-N207 PolarHBondContact OG-OD1 3.11Å; N207-L211 HydrophobicContact CB-CD2 4.05Å; N207-L211 WeakPolarHBondContact O-CD1 3.39Å; N207-L211 WeakPolarHBondContact OD1-CD2 3.46Å
208S90.8Very high95.1Very high45 Ų4537.6 Ų37.632%0.31518%0.177SC..THydrogen-bonded Turntrans-74.6-23.4178.258.30000114.5Y206 V262 N266Y206-S208 PolarHBondContact O-N 3.31Å; S208-V262 WeakPolarHBondContact OG-CG1 3.49Å; S208-N266 VanDerWaalsContact CB-ND2 3.34Å; S208-N266 WeakPolarHBondContact CB-ND2 3.41Å
209F93.6Very high94.9Very high1 Ų141.2 Ų41.20%0.00420%0.202CC..THydrogen-bonded Turntrans-134.9-22.3-174.670.9-93000114.5L75 L101 Y206 F217 N218 S219 I222L75-F209 HydrophobicContact CD1-CE2 4.48Å; L75-F209 HydrophobicContact CD2-CD2 3.57Å; L75-F209 HydrophobicContact CD2-CE2 3.52Å; L75-F209 HydrophobicContact CD2-CG 4.4Å; L75-F209 HydrophobicContact CD2-CZ 4.28Å; L101-F209 HydrophobicContact CD1-CE2 4.11Å; Y206-F209 AromaticContact CD1-CE1 3.82Å; Y206-F209 HydrophobicContact CD1-CE1 3.82Å; Y206-F209 AromaticContact CD1-CZ 3.53Å; Y206-F209 HydrophobicContact CD1-CZ 3.53Å; Y206-F209 HydrophobicContact CE1-CZ 4.21Å; Y206-F209 HydrophobicContact CG-CE1 4.2Å; Y206-F209 HydrophobicContact CG-CE2 4.48Å; Y206-F209 AromaticContact CG-CZ 3.73Å; Y206-F209 HydrophobicContact CG-CZ 3.73Å; Y206-F209 PolarHBondContact O-N 3.35Å; F209-F217 CarbonylContact O-C 3.52Å; F209-F217 VanDerWaalsContact O-CA 3.3Å; F209-F217 WeakPolarHBondContact O-CA 3.32Å; F209-N218 HydrophobicContact CB-CB 4.39Å; F209-N218 PolarHBondContact O-N 3.36Å; F209-S219 WeakPolarHBondContact CB-O 3.33Å; F209-I222 HydrophobicContact CE1-CG1 4.31Å; F209-I222 HydrophobicContact CZ-CD1 4.39Å; F209-I222 HydrophobicContact CZ-CG1 3.7Å
210Y94.8Very high94.7Very high12 Ų1242.1 Ų42.15%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-136.9109.2-178.1-179.7-91.6000111.6F25 L101 Q176 Y206 Q216 F217F25-Y210 AromaticContact CE2-CE2 3.9Å; F25-Y210 HydrophobicContact CE2-CE2 3.9Å; L101-Y210 HydrophobicContact CD1-CD1 4.15Å; L101-Y210 HydrophobicContact CD1-CD2 3.66Å; L101-Y210 HydrophobicContact CD1-CE2 4.11Å; L101-Y210 HydrophobicContact CD1-CG 3.67Å; Q176-Y210 PolarHBondContact NE2-O 3.5Å; Y206-Y210 PolarHBondContact O-N 2.95Å; Y210-Q216 WeakPolarHBondContact CA-O 3.5Å; Y210-F217 HydrophobicContact CD2-CB 4.03Å; Y210-F217 AromaticContact CD2-CD1 3.99Å; Y210-F217 HydrophobicContact CD2-CD1 3.99Å; Y210-F217 AromaticContact CD2-CD2 3.75Å; Y210-F217 HydrophobicContact CD2-CD2 3.75Å; Y210-F217 HydrophobicContact CD2-CE1 4.38Å; Y210-F217 HydrophobicContact CD2-CE2 4.16Å; Y210-F217 AromaticContact CD2-CG 3.67Å; Y210-F217 HydrophobicContact CD2-CG 3.67Å; Y210-F217 HydrophobicContact CD2-CZ 4.46Å; Y210-F217 HydrophobicContact CE2-CB 4.5Å; Y210-F217 AromaticContact CE2-CD1 3.99Å; Y210-F217 HydrophobicContact CE2-CD1 3.99Å; Y210-F217 HydrophobicContact CE2-CE1 4.32Å; Y210-F217 HydrophobicContact CE2-CG 4.13Å
211L93Very high94.6Very high30 Ų3043.7 Ų43.716%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-131.8111.5179.6-78180000109.6N207 E214 K215 Q216N207-L211 HydrophobicContact CB-CD2 4.05Å; N207-L211 WeakPolarHBondContact O-CD1 3.39Å; N207-L211 WeakPolarHBondContact OD1-CD2 3.46Å; L211-E214 HydrophobicContact CB-CB 3.94Å; L211-E214 HydrophobicContact CB-CG 4.33Å; L211-E214 WeakPolarHBondContact CB-OE2 3.26Å; L211-E214 HydrophobicContact CD1-CB 4.36Å; L211-E214 HydrophobicContact CD1-CG 4.15Å; L211-K215 PolarHBondContact O-N 3.1Å; L211-Q216 HydrophobicContact CB-CB 4Å; L211-Q216 PolarHBondContact N-O 3.18Å; L211-Q216 PolarHBondContact O-N 3.28Å
212R90.4Very high94.5Very high152 Ų15243.7 Ų43.757%0.57422%0.221SC*.THydrogen-bonded Turntrans-70.3-38.2-172.3179.3179.3175.3-90.7-0.6112.9F25F25-R212 HydrophobicContact CZ-CG 4.32Å
213K90.6Very high94.4Very high164 Ų16445.7 Ų45.771%0.71323%0.228SC*.THydrogen-bonded Turntrans-73.3-38.9-176.4-64.1177.6179.1173.90110.4K215K213-K215 VanDerWaalsContact C-N 3.25Å; K213-K215 PolarHBondContact O-N 3.46Å
214E92.6Very high94.4Very high111 Ų11145.8 Ų45.852%0.51923%0.229SC..THydrogen-bonded Turntrans-82.6-5.2-178.9-59.669.8-158.200112L211 Q216L211-E214 HydrophobicContact CB-CB 3.94Å; L211-E214 HydrophobicContact CB-CG 4.33Å; L211-E214 WeakPolarHBondContact CB-OE2 3.26Å; L211-E214 HydrophobicContact CD1-CB 4.36Å; L211-E214 HydrophobicContact CD1-CG 4.15Å; E214-Q216 VanDerWaalsContact C-N 3.29Å; E214-Q216 PolarHBondContact O-N 3.38Å
215K94.1Very high94.5Very high70 Ų7049.9 Ų49.930%0.30424%0.244SC..THydrogen-bonded Turntrans53.947-179.5-53.1169.7-175.8170.60111.3T22 F25 Y26 L211 K213T22-K215 HydrophobicContact CG2-CD 3.7Å; T22-K215 VanDerWaalsContact OG1-CD 3.29Å; T22-K215 WeakPolarHBondContact OG1-CD 3.36Å; F25-K215 HydrophobicContact CB-CB 4.01Å; F25-K215 WeakPolarHBondContact CB-O 3.32Å; F25-K215 HydrophobicContact CD1-CB 3.95Å; F25-K215 HydrophobicContact CD1-CG 4.3Å; F25-K215 VanDerWaalsContact CD2-C 3.43Å; F25-K215 HydrophobicContact CD2-CB 4.39Å; F25-K215 HydrophobicContact CG-CB 3.86Å; Y26-K215 HydrophobicContact CE2-CD 3.99Å; L211-K215 PolarHBondContact O-N 3.1Å; K213-K215 VanDerWaalsContact C-N 3.25Å; K213-K215 PolarHBondContact O-N 3.46Å
216Q93.8Very high94.6Very high53 Ų5349.3 Ų49.325%0.24824%0.24CC..EExtended strand (participates in β ladder)trans-104.8128.8175.6-169.7-177.7-1.900109.5Y210 L211 E214 N218Y210-Q216 WeakPolarHBondContact CA-O 3.5Å; L211-Q216 HydrophobicContact CB-CB 4Å; L211-Q216 PolarHBondContact N-O 3.18Å; L211-Q216 PolarHBondContact O-N 3.28Å; E214-Q216 VanDerWaalsContact C-N 3.29Å; E214-Q216 PolarHBondContact O-N 3.38Å; Q216-N218 PolarHBondContact NE2-ND2 3.16Å; Q216-N218 VanDerWaalsContact NE2-ND2 3.11Å
217F95.6Very high94.8Very high5 Ų550.2 Ų50.22%0.02225%0.245CC..EExtended strand (participates in β ladder)trans-146.990.1169.6-168.1176.1000109.8F25 K28 F73 L75 L101 F209 Y210F25-F217 HydrophobicContact CD2-CB 3.77Å; F25-F217 HydrophobicContact CE2-CB 4.43Å; K28-F217 HydrophobicContact CB-CD1 3.6Å; K28-F217 HydrophobicContact CB-CE1 4Å; K28-F217 HydrophobicContact CB-CG 4.29Å; K28-F217 HydrophobicContact CD-CB 4.2Å; K28-F217 HydrophobicContact CD-CD1 4.12Å; K28-F217 HydrophobicContact CD-CD2 4.46Å; K28-F217 HydrophobicContact CD-CG 3.99Å; K28-F217 VanDerWaalsContact CD-O 3.27Å; K28-F217 WeakPolarHBondContact CD-O 3.36Å; K28-F217 PolarHBondContact NZ-O 3.2Å; F73-F217 HydrophobicContact CB-CE2 4.09Å; F73-F217 HydrophobicContact CB-CZ 3.96Å; F73-F217 AromaticContact CD1-CE1 3.72Å; F73-F217 HydrophobicContact CD1-CE1 3.72Å; F73-F217 HydrophobicContact CD1-CE2 4.26Å; F73-F217 AromaticContact CD1-CZ 3.53Å; F73-F217 HydrophobicContact CD1-CZ 3.53Å; F73-F217 HydrophobicContact CE1-CE1 4.07Å; F73-F217 HydrophobicContact CE1-CZ 4.26Å; F73-F217 HydrophobicContact CG-CE1 4.39Å; F73-F217 HydrophobicContact CG-CE2 4.38Å; F73-F217 AromaticContact CG-CZ 3.77Å; F73-F217 HydrophobicContact CG-CZ 3.77Å; L75-F217 HydrophobicContact CD1-CE2 4.26Å; L101-F217 HydrophobicContact CD1-CE2 3.89Å; L101-F217 HydrophobicContact CD1-CZ 3.91Å; L101-F217 HydrophobicContact CD2-CE1 4.38Å; L101-F217 HydrophobicContact CD2-CZ 3.77Å; L101-F217 HydrophobicContact CG-CZ 4.48Å; F209-F217 CarbonylContact O-C 3.52Å; F209-F217 VanDerWaalsContact O-CA 3.3Å; F209-F217 WeakPolarHBondContact O-CA 3.32Å; Y210-F217 HydrophobicContact CD2-CB 4.03Å; Y210-F217 AromaticContact CD2-CD1 3.99Å; Y210-F217 HydrophobicContact CD2-CD1 3.99Å; Y210-F217 AromaticContact CD2-CD2 3.75Å; Y210-F217 HydrophobicContact CD2-CD2 3.75Å; Y210-F217 HydrophobicContact CD2-CE1 4.38Å; Y210-F217 HydrophobicContact CD2-CE2 4.16Å; Y210-F217 AromaticContact CD2-CG 3.67Å; Y210-F217 HydrophobicContact CD2-CG 3.67Å; Y210-F217 HydrophobicContact CD2-CZ 4.46Å; Y210-F217 HydrophobicContact CE2-CB 4.5Å; Y210-F217 AromaticContact CE2-CD1 3.99Å; Y210-F217 HydrophobicContact CE2-CD1 3.99Å; Y210-F217 HydrophobicContact CE2-CE1 4.32Å; Y210-F217 HydrophobicContact CE2-CG 4.13Å
218N94.8Very high95.1Very high74 Ų7451.3 Ų51.340%0.39626%0.255SS..  trans-105.6171.9-178.8-63-17.2000110.8F209 Q216F209-N218 HydrophobicContact CB-CB 4.39Å; F209-N218 PolarHBondContact O-N 3.36Å; Q216-N218 PolarHBondContact NE2-ND2 3.16Å; Q216-N218 VanDerWaalsContact NE2-ND2 3.11Å
219S94.9Very high95.4Very high77 Ų7753.7 Ų53.754%0.53826%0.26SS..  trans-65.7151.9166.2-60.60000110.3G74 F209G74-S219 VanDerWaalsContact O-CA 3.31Å; G74-S219 WeakPolarHBondContact O-CA 3.43Å; G74-S219 WeakPolarHBondContact O-CB 3.25Å; F209-S219 WeakPolarHBondContact CB-O 3.33Å
220G95.4Very high95.6Very high18 Ų1854.4 Ų54.419%0.18626%0.264CS..EExtended strand (participates in β ladder)trans-178.2-175.5-172.500000113.4G74 L75 R76G74-G220 PolarHBondContact O-N 3.25Å; G74-G220 VanDerWaalsContact O-N 3.14Å; L75-G220 WeakPolarHBondContact CA-O 3.28Å; R76-G220 PolarHBondContact N-O 3.34Å
221V96.1Very high95.7Very high34 Ų3458.4 Ų58.421%0.20628%0.282CS..EExtended strand (participates in β ladder)trans-121.6125.8-179.3-174.30000109.1R76 E78 R223R76-V221 HydrophobicContact CB-CG2 4.38Å; R76-V221 CarbonylContact O-C 3.57Å; R76-V221 WeakPolarHBondContact O-CA 3.25Å; E78-V221 HydrophobicContact CB-CG1 4.25Å; E78-V221 HydrophobicContact CG-CG1 3.74Å; V221-R223 HydrophobicContact CG1-CG 3.93Å
222I96.1Very high96Very high0 Ų057 Ų570%028%0.275CS..EExtended strand (participates in β ladder)trans-93.7111.5168.4-63.9170.9000106.8L75 R76 I77 E78 F203 Y206 F209 L224L75-I222 HydrophobicContact CD1-CD1 4.26Å; R76-I222 PolarHBondContact O-N 3.17Å; I77-I222 WeakPolarHBondContact CA-O 3.35Å; I77-I222 HydrophobicContact CG1-CB 4.28Å; E78-I222 PolarHBondContact N-O 3.03Å; F203-I222 HydrophobicContact CD1-CG2 4.07Å; Y206-I222 HydrophobicContact CD1-CG1 4.47Å; Y206-I222 HydrophobicContact CE1-CB 4.46Å; Y206-I222 HydrophobicContact CE1-CD1 4.43Å; Y206-I222 HydrophobicContact CE1-CG1 3.92Å; Y206-I222 HydrophobicContact CE1-CG2 4.02Å; F209-I222 HydrophobicContact CE1-CG1 4.31Å; F209-I222 HydrophobicContact CZ-CD1 4.39Å; F209-I222 HydrophobicContact CZ-CG1 3.7Å; I222-L224 HydrophobicContact CG2-CD2 4.03Å; I222-L224 HydrophobicContact CG2-CG 4.36Å
223R97.5Very high96.3Very high42 Ų4258.1 Ų58.116%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-94.7129.5175.6-57.3-173.4168.8113.27.6109.5E78 S204 V221E78-R223 HydrophobicContact CB-CG 4.27Å; E78-R223 CarbonylContact O-C 3.59Å; E78-R223 WeakPolarHBondContact O-CA 3.32Å; E78-R223 IonicContact OE2-CZ 3.42Å; E78-R223 IonicContact OE2-NE 3.78Å; E78-R223 PolarHBondContact OE2-NE 3.35Å; E78-R223 IonicContact OE2-NH2 3.21Å; S204-R223 PolarHBondContact N-O 2.72Å; S204-R223 PolarHBondContact OG-N 2.85Å; S204-R223 PolarHBondContact OG-O 2.97Å; V221-R223 HydrophobicContact CG1-CG 3.93Å
224L98.1Very high96.6Very high3 Ų353.3 Ų53.32%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-112.5128.4176.8-58.6178.2000108.7I77 E78 V79 R80 I109 V202 F203 I222I77-L224 HydrophobicContact CG2-CD1 3.76Å; I77-L224 HydrophobicContact CG2-CG 4.17Å; E78-L224 PolarHBondContact O-N 3.27Å; V79-L224 WeakPolarHBondContact CA-O 3.32Å; V79-L224 HydrophobicContact CB-CB 4.47Å; V79-L224 HydrophobicContact CG1-CB 4.22Å; V79-L224 HydrophobicContact CG2-CB 4.23Å; V79-L224 HydrophobicContact CG2-CD1 4.02Å; V79-L224 HydrophobicContact CG2-CG 4.49Å; R80-L224 PolarHBondContact N-O 2.78Å; I109-L224 HydrophobicContact CD1-CD1 3.98Å; I109-L224 HydrophobicContact CG1-CD1 4.23Å; I109-L224 HydrophobicContact CG2-CD1 3.75Å; V202-L224 CarbonylContact O-C 3.55Å; V202-L224 WeakPolarHBondContact O-CA 3.27Å; F203-L224 HydrophobicContact CB-CD2 4.18Å; F203-L224 HydrophobicContact CD1-CD2 3.19Å; F203-L224 HydrophobicContact CD2-CD2 3.74Å; F203-L224 HydrophobicContact CE1-CD2 3.35Å; F203-L224 HydrophobicContact CE2-CD2 3.8Å; F203-L224 HydrophobicContact CG-CD2 3.41Å; F203-L224 VanDerWaalsContact CG-CD2 3.41Å; F203-L224 HydrophobicContact CZ-CD2 3.63Å; I222-L224 HydrophobicContact CG2-CD2 4.03Å; I222-L224 HydrophobicContact CG2-CG 4.36Å
225R98.5Very high96.8Very high85 Ų8550.3 Ų50.332%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-119.1112.8169.3-167.1176.3-172.8173.4-3.4109V202 L227 E257 I258V202-R225 PolarHBondContact N-O 3.49Å; V202-R225 PolarHBondContact O-N 3.46Å; R225-L227 HydrophobicContact CG-CD2 3.91Å; R225-E257 IonicContact CZ-OE2 2.66Å; R225-E257 IonicContact NH1-OE2 3.68Å; R225-E257 PolarHBondContact NH1-OE2 3.06Å; R225-E257 IonicContact NH2-OE2 2.84Å; R225-I258 HydrophobicContact CB-CD1 4.15Å; R225-I258 HydrophobicContact CB-CG2 4.17Å
226I98.7Very high97Very high3 Ų350.4 Ų50.42%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-86129.4171.8-53.2152.6000106.1V79 R80 G81 H84 L85 I109 I199 V201V79-I226 HydrophobicContact CG1-CD1 3.77Å; R80-I226 PolarHBondContact O-N 2.88Å; G81-I226 WeakPolarHBondContact O-CB 3.17Å; G81-I226 WeakPolarHBondContact O-CD1 3.34Å; H84-I226 HydrophobicContact CB-CG2 3.73Å; H84-I226 PolarHBondContact CD2-O 2.91Å; L85-I226 HydrophobicContact CD1-CD1 3.54Å; L85-I226 HydrophobicContact CD1-CG1 4.28Å; L85-I226 HydrophobicContact CD2-CG2 4.28Å; L85-I226 HydrophobicContact CG-CD1 3.9Å; L85-I226 HydrophobicContact CG-CG1 4.43Å; L85-I226 HydrophobicContact CG-CG2 4.07Å; I109-I226 HydrophobicContact CD1-CD1 4.39Å; I109-I226 HydrophobicContact CD1-CG1 4.22Å; I199-I226 HydrophobicContact CG2-CG2 3.68Å; V201-I226 HydrophobicContact CG2-CG1 4.13Å; V201-I226 HydrophobicContact CG2-CG2 4.23Å
227L98.6Very high97Very high19 Ų1951.9 Ų51.910%0.09929%0.291CS..PPolyproline II helixtrans-98.4160.1-179.5-56.8-173.5000110.6H84 P200 V202 R225 L250 M251 A254H84-L227 VanDerWaalsContact CD2-C 3.44Å; P200-L227 HydrophobicContact CB-CB 4.02Å; P200-L227 HydrophobicContact CB-CD1 4Å; P200-L227 HydrophobicContact CB-CG 4.22Å; P200-L227 HydrophobicContact CG-CB 4.07Å; P200-L227 HydrophobicContact CG-CD1 4.43Å; P200-L227 PolarHBondContact O-N 2.84Å; V202-L227 HydrophobicContact CG2-CD1 4.16Å; V202-L227 HydrophobicContact CG2-CG 4.41Å; R225-L227 HydrophobicContact CG-CD2 3.91Å; L227-L250 HydrophobicContact CD1-CB 4.35Å; L227-M251 HydrophobicContact CD1-CG 4.48Å; L227-A254 HydrophobicContact CD1-CB 4.06Å; L227-A254 HydrophobicContact CD2-CB 4.01Å
228P98.4Very high97.1Very high80 Ų8058.6 Ų58.652%0.51933%0.327SS..PPolyproline II helixtrans-53.2148.3171.8-25.934.1000111.9P200P200-P228 WeakPolarHBondContact CD-O 3.39Å
229K97.6Very high97.2Very high94 Ų9457.9 Ų57.941%0.40932%0.323SS..PPolyproline II helixtrans-63.5144.5177.363.1172.2172.3157.40111.6T87 P197 I198 I199 E231T87-K229 HydrophobicContact CG2-CD 4.2Å; P197-K229 HydrophobicContact CB-CB 4.12Å; P197-K229 HydrophobicContact CB-CD 4Å; P197-K229 HydrophobicContact CG-CD 4.21Å; I198-K229 CarbonylContact O-C 3.59Å; I198-K229 VanDerWaalsContact O-CA 3.29Å; I198-K229 WeakPolarHBondContact O-CA 3.33Å; I199-K229 HydrophobicContact CG1-CB 4.09Å; K229-E231 VanDerWaalsContact CD-OE1 3.31Å; K229-E231 WeakPolarHBondContact CD-OE1 3.46Å; K229-E231 WeakPolarHBondContact CE-OE1 3.48Å; K229-E231 IonicContact NZ-OE1 2.66Å; K229-E231 PolarHBondContact NZ-OE1 2.85Å
230I98.4Very high97.3Very high17 Ų1754.3 Ų54.39%0.08730%0.298CS..BIsolated β-bridgetrans-102.9116.1172.1-52172.3000106.7P197 I198 P200 L243 S247 L250P197-I230 WeakPolarHBondContact CA-O 3.24Å; I198-I230 HydrophobicContact CB-CB 4.45Å; I198-I230 PolarHBondContact N-O 3.46Å; I198-I230 PolarHBondContact O-N 2.77Å; P200-I230 HydrophobicContact CG-CD1 3.9Å; P200-I230 HydrophobicContact CG-CG1 4.34Å; I230-L243 HydrophobicContact CG2-CD1 3.49Å; I230-L243 VanDerWaalsContact CG2-CD1 3.49Å; I230-S247 VanDerWaalsContact CD1-OG 3.25Å; I230-S247 WeakPolarHBondContact CD1-OG 3.1Å; I230-L250 HydrophobicContact CD1-CD1 3.98Å
231E97.7Very high97.4Very high95 Ų9555.6 Ų55.644%0.44431%0.305SS..PPolyproline II helixtrans-71.3140.2-179.5-65.9-64.2168.100111.1K229K229-E231 VanDerWaalsContact CD-OE1 3.31Å; K229-E231 WeakPolarHBondContact CD-OE1 3.46Å; K229-E231 WeakPolarHBondContact CE-OE1 3.48Å; K229-E231 IonicContact NZ-OE1 2.66Å; K229-E231 PolarHBondContact NZ-OE1 2.85Å
232T97.8Very high97.5Very high0 Ų057.9 Ų57.90%032%0.321CS..  trans-115.3-2.8176.2640000112.9A191 V196 I198 G234 L235 L243A191-T232 HydrophobicContact CB-CG2 4.01Å; A191-T232 PolarHBondContact O-OG1 2.81Å; V196-T232 PolarHBondContact N-OG1 2.63Å; V196-T232 VanDerWaalsContact O-CG2 3.27Å; V196-T232 WeakPolarHBondContact O-CG2 3.27Å; V196-T232 PolarHBondContact O-OG1 3.11Å; I198-T232 HydrophobicContact CD1-CG2 4.39Å; I198-T232 HydrophobicContact CG1-CG2 4.19Å; T232-G234 PolarHBondContact O-N 3.47Å; T232-L235 VanDerWaalsContact O-CB 3.27Å; T232-L235 WeakPolarHBondContact O-CB 3.3Å; T232-L235 WeakPolarHBondContact O-CG 3.33Å; T232-L235 PolarHBondContact O-N 2.85Å; T232-L243 HydrophobicContact CG2-CD2 3.97Å
233K96.5Very high97.6Very high177 Ų17758.1 Ų58.177%0.7732%0.322SS*.THydrogen-bonded Turntrans-61.1125.1-178.8-171175.6-178.2178.10110.4L235K233-L235 VanDerWaalsContact C-N 3.26Å; K233-L235 PolarHBondContact O-N 3.4Å
234G97.3Very high97.7Very high63 Ų6356.2 Ų56.265%0.64932%0.315SS*.THydrogen-bonded Turntrans82.8-6.6-17700000114.6T232T232-G234 PolarHBondContact O-N 3.47Å
235L97.8Very high97.7Very high48 Ų4860.4 Ų60.425%0.25134%0.338SS..  trans-74.6152.3172.9-59.2-172.3000110.8V192 Q195 T232 K233 D239 L243V192-L235 HydrophobicContact CG1-CB 4.39Å; V192-L235 WeakPolarHBondContact CG1-O 3.37Å; V192-L235 HydrophobicContact CG2-CB 4.13Å; Q195-L235 PolarHBondContact NE2-O 3.44Å; T232-L235 VanDerWaalsContact O-CB 3.27Å; T232-L235 WeakPolarHBondContact O-CB 3.3Å; T232-L235 WeakPolarHBondContact O-CG 3.33Å; T232-L235 PolarHBondContact O-N 2.85Å; K233-L235 VanDerWaalsContact C-N 3.26Å; K233-L235 PolarHBondContact O-N 3.4Å; L235-D239 HydrophobicContact CB-CB 4.08Å; L235-D239 HydrophobicContact CD1-CB 4.45Å; L235-D239 HydrophobicContact CD2-CB 4.1Å; L235-D239 HydrophobicContact CG-CB 4.44Å; L235-L243 HydrophobicContact CD1-CD1 4.23Å; L235-L243 HydrophobicContact CD1-CD2 4.13Å
236T97.1Very high97.7Very high72 Ų7261.1 Ų61.144%0.44235%0.345SS..  trans-119.3177.2-18070.60000111.1D238 D239T236-D238 PolarHBondContact O-N 3.43Å; T236-D238 VanDerWaalsContact O-N 3.16Å; T236-D238 PolarHBondContact OG1-N 2.77Å; T236-D239 PolarHBondContact N-OD2 3.25Å; T236-D239 PolarHBondContact O-N 2.83Å; T236-D239 VanDerWaalsContact O-N 3.12Å; T236-D239 PolarHBondContact OG1-OD2 3.37Å
237S94.3Very high97.7Very high83 Ų8361 Ų6158%0.5834%0.344SS*.G310 helixtrans-58.8-26.7178-65.40000113.4D239 V240S237-D239 VanDerWaalsContact C-N 3.31Å; S237-V240 WeakPolarHBondContact O-CB 3.46Å; S237-V240 WeakPolarHBondContact O-CG2 3.31Å; S237-V240 PolarHBondContact O-N 3.44Å
238D96.9Very high97.7Very high147 Ų14761.9 Ų61.979%0.78635%0.348SS*.G310 helixtrans-72.3-28.2-179.4-63.6-21.4000111.7T236 V240T236-D238 PolarHBondContact O-N 3.43Å; T236-D238 VanDerWaalsContact O-N 3.16Å; T236-D238 PolarHBondContact OG1-N 2.77Å; D238-V240 VanDerWaalsContact C-N 3.29Å; D238-V240 PolarHBondContact O-N 3.08Å
239D97.9Very high97.7Very high59 Ų5961.3 Ų61.332%0.31635%0.346SS..G310 helixtrans-78.1-14.2180-57.3-65.5000113.1L235 T236 S237 S241 C242 L243L235-D239 HydrophobicContact CB-CB 4.08Å; L235-D239 HydrophobicContact CD1-CB 4.45Å; L235-D239 HydrophobicContact CD2-CB 4.1Å; L235-D239 HydrophobicContact CG-CB 4.44Å; T236-D239 PolarHBondContact N-OD2 3.25Å; T236-D239 PolarHBondContact O-N 2.83Å; T236-D239 VanDerWaalsContact O-N 3.12Å; T236-D239 PolarHBondContact OG1-OD2 3.37Å; S237-D239 VanDerWaalsContact C-N 3.31Å; D239-S241 VanDerWaalsContact C-N 3.27Å; D239-S241 PolarHBondContact O-N 2.8Å; D239-C242 PolarHBondContact O-N 2.82Å; D239-C242 VanDerWaalsContact O-N 3.11Å; D239-L243 WeakPolarHBondContact O-CB 3.36Å; D239-L243 PolarHBondContact O-N 2.88Å
240V97.3Very high97.7Very high2 Ų260.7 Ų60.71%0.01235%0.346CS..Hα-helixtrans-59.3-35.6-172.1169.80000112.8K185 F188 V192 S237 D238 S244K185-V240 HydrophobicContact CB-CG1 4.02Å; K185-V240 HydrophobicContact CD-CG1 4.4Å; K185-V240 HydrophobicContact CG-CG1 4.39Å; F188-V240 HydrophobicContact CB-CG1 3.82Å; V192-V240 HydrophobicContact CB-CG2 4.23Å; V192-V240 HydrophobicContact CG1-CG2 4.46Å; V192-V240 HydrophobicContact CG2-CG2 3.95Å; S237-V240 WeakPolarHBondContact O-CB 3.46Å; S237-V240 WeakPolarHBondContact O-CG2 3.31Å; S237-V240 PolarHBondContact O-N 3.44Å; D238-V240 VanDerWaalsContact C-N 3.29Å; D238-V240 PolarHBondContact O-N 3.08Å; V240-S244 WeakPolarHBondContact O-CB 3.4Å; V240-S244 PolarHBondContact O-N 3.17Å
241S97.7Very high97.7Very high45 Ų4559.9 Ų59.932%0.31534%0.342SS..Hα-helixtrans-65.6-50.2176.8-157.60000111K185 D239 L243 S244 D245K185-S241 WeakPolarHBondContact CE-OG 3.25Å; K185-S241 VanDerWaalsContact NZ-CB 3.32Å; K185-S241 PolarHBondContact NZ-OG 3.36Å; D239-S241 VanDerWaalsContact C-N 3.27Å; D239-S241 PolarHBondContact O-N 2.8Å; S241-L243 VanDerWaalsContact C-N 3.33Å; S241-L243 PolarHBondContact O-N 3.46Å; S241-S244 WeakPolarHBondContact O-CB 3.18Å; S241-S244 PolarHBondContact O-N 3.1Å; S241-D245 VanDerWaalsContact O-CG 3.23Å; S241-D245 PolarHBondContact O-N 2.91Å
242C98Very high97.7Very high81 Ų8159.9 Ų59.955%0.54734%0.338SS..Hα-helixtrans-60-45.2179.8-174.50000111D239 S244 D245 Q246D239-C242 PolarHBondContact O-N 2.82Å; D239-C242 VanDerWaalsContact O-N 3.11Å; C242-S244 VanDerWaalsContact C-N 3.33Å; C242-S244 PolarHBondContact O-N 3.05Å; C242-D245 PolarHBondContact O-N 3.4Å; C242-Q246 VanDerWaalsContact O-CB 3.31Å; C242-Q246 WeakPolarHBondContact O-CB 3.39Å; C242-Q246 PolarHBondContact O-N 2.88Å
243L98.4Very high97.8Very high6 Ų663.5 Ų63.53%0.03136%0.36CS..Hα-helixtrans-58.8-42.9177-178.264.9000112.3F188 V192 I198 I230 T232 L235 D239 S241 S247F188-L243 HydrophobicContact CB-CD2 4.34Å; F188-L243 HydrophobicContact CD1-CD2 4.07Å; F188-L243 HydrophobicContact CD1-CG 3.89Å; V192-L243 HydrophobicContact CG2-CD2 3.8Å; I198-L243 HydrophobicContact CD1-CD2 3.84Å; I198-L243 HydrophobicContact CD1-CG 4.25Å; I230-L243 HydrophobicContact CG2-CD1 3.49Å; I230-L243 VanDerWaalsContact CG2-CD1 3.49Å; T232-L243 HydrophobicContact CG2-CD2 3.97Å; L235-L243 HydrophobicContact CD1-CD1 4.23Å; L235-L243 HydrophobicContact CD1-CD2 4.13Å; D239-L243 WeakPolarHBondContact O-CB 3.36Å; D239-L243 PolarHBondContact O-N 2.88Å; S241-L243 VanDerWaalsContact C-N 3.33Å; S241-L243 PolarHBondContact O-N 3.46Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 2.91Å; L243-S247 PolarHBondContact O-N 3.34Å; L243-S247 PolarHBondContact O-OG 2.98Å
244S98.4Very high97.8Very high2 Ų255.2 Ų55.21%0.01433%0.325CS..Hα-helixtrans-63.8-46176.51780000111.8V240 S241 C242 S247 H248V240-S244 WeakPolarHBondContact O-CB 3.4Å; V240-S244 PolarHBondContact O-N 3.17Å; S241-S244 WeakPolarHBondContact O-CB 3.18Å; S241-S244 PolarHBondContact O-N 3.1Å; C242-S244 VanDerWaalsContact C-N 3.33Å; C242-S244 PolarHBondContact O-N 3.05Å; S244-S247 PolarHBondContact O-N 2.77Å; S244-H248 WeakPolarHBondContact O-CB 3.21Å; S244-H248 PolarHBondContact O-N 3.02Å
245D98.3Very high97.8Very high91 Ų9152.5 Ų52.549%0.48730%0.295SS..Hα-helixtrans-70.4-39.2-176.5-63.2-25.4000111.8S241 C242 H248 S249S241-D245 VanDerWaalsContact O-CG 3.23Å; S241-D245 PolarHBondContact O-N 2.91Å; C242-D245 PolarHBondContact O-N 3.4Å; D245-H248 PolarHBondContact O-N 2.99Å; D245-S249 WeakPolarHBondContact O-CB 3.28Å; D245-S249 PolarHBondContact O-N 2.92Å; D245-S249 PolarHBondContact O-OG 3.29Å
246Q98.2Very high97.8Very high99 Ų9952.9 Ų52.946%0.46330%0.297SS..Hα-helixtrans-61.3-48.6171.7-179.9-176.8-10.600110.8C242 H248 S249 L250C242-Q246 VanDerWaalsContact O-CB 3.31Å; C242-Q246 WeakPolarHBondContact O-CB 3.39Å; C242-Q246 PolarHBondContact O-N 2.88Å; Q246-H248 VanDerWaalsContact C-N 3.34Å; Q246-H248 PolarHBondContact O-N 3.11Å; Q246-S249 PolarHBondContact O-N 2.95Å; Q246-L250 HydrophobicContact CG-CD1 4.1Å; Q246-L250 WeakPolarHBondContact O-CG 3.25Å; Q246-L250 PolarHBondContact O-N 3.03Å
247S98.6Very high97.7Very high0 Ų054.3 Ų54.30%030%0.299CS..Hα-helixtrans-61.7-43.2179.2-620000111.8F188 I230 L243 S244 M251F188-S247 WeakPolarHBondContact CE1-OG 3.32Å; I230-S247 VanDerWaalsContact CD1-OG 3.25Å; I230-S247 WeakPolarHBondContact CD1-OG 3.1Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 2.91Å; L243-S247 PolarHBondContact O-N 3.34Å; L243-S247 PolarHBondContact O-OG 2.98Å; S244-S247 PolarHBondContact O-N 2.77Å; S247-M251 WeakPolarHBondContact O-CB 3.36Å; S247-M251 VanDerWaalsContact O-CG 3.26Å; S247-M251 WeakPolarHBondContact O-CG 3.34Å; S247-M251 PolarHBondContact O-N 3.23Å
248H98.7Very high97.7Very high39 Ų3951.2 Ų51.218%0.18128%0.276CS..Hα-helixtrans-60.2-47.6175.3178.9-85.9000111.4L181 F183 S244 D245 Q246 L250 M251 R252L181-H248 PolarHBondContact O-CD2 2.87Å; L181-H248 PolarHBondContact O-NE2 3.5Å; F183-H248 AromaticContact CD1-CD2 3.76Å; F183-H248 HydrophobicContact CD2-CB 3.75Å; F183-H248 AromaticContact CE1-CD2 3.76Å; F183-H248 VanDerWaalsContact CE2-CA 3.47Å; F183-H248 HydrophobicContact CE2-CB 3.84Å; F183-H248 HydrophobicContact CG-CB 4.25Å; F183-H248 HydrophobicContact CZ-CB 4.38Å; S244-H248 WeakPolarHBondContact O-CB 3.21Å; S244-H248 PolarHBondContact O-N 3.02Å; D245-H248 PolarHBondContact O-N 2.99Å; Q246-H248 VanDerWaalsContact C-N 3.34Å; Q246-H248 PolarHBondContact O-N 3.11Å; H248-L250 PolarHBondContact O-N 3.48Å; H248-M251 PolarHBondContact O-N 3.12Å; H248-R252 VanDerWaalsContact O-CB 3.24Å; H248-R252 WeakPolarHBondContact O-CB 3.42Å; H248-R252 PolarHBondContact O-N 2.87Å
249S98.4Very high97.5Very high68 Ų6844.8 Ų44.848%0.47624%0.242SC..Hα-helixtrans-61.4-46-179.7-59.30000112D245 Q246 R252 T253D245-S249 WeakPolarHBondContact O-CB 3.28Å; D245-S249 PolarHBondContact O-N 2.92Å; D245-S249 PolarHBondContact O-OG 3.29Å; Q246-S249 PolarHBondContact O-N 2.95Å; S249-R252 PolarHBondContact O-N 3.38Å; S249-T253 PolarHBondContact O-N 3.27Å; S249-T253 PolarHBondContact O-OG1 3.4Å; S249-T253 VanDerWaalsContact O-OG1 3.1Å
250L98.4Very high96.5Very high80 Ų8046.5 Ų46.542%0.41925%0.252SS..Hα-helixtrans-60.1-47.8176-72.8170.8000112L227 I230 Q246 H248 A254L227-L250 HydrophobicContact CD1-CB 4.35Å; I230-L250 HydrophobicContact CD1-CD1 3.98Å; Q246-L250 HydrophobicContact CG-CD1 4.1Å; Q246-L250 WeakPolarHBondContact O-CG 3.25Å; Q246-L250 PolarHBondContact O-N 3.03Å; H248-L250 PolarHBondContact O-N 3.48Å; L250-A254 PolarHBondContact O-N 2.85Å; L250-A254 VanDerWaalsContact O-N 3.1Å
251M98.6Very high94.8Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-66-39.2179.8-72.5179.468.700112.3I94 L180 F183 P200 V202 L227 S247 H248 A254 F255I94-M251 HydrophobicContact CD1-SD 3.55Å; I94-M251 VanDerWaalsContact CD1-SD 3.55Å; I94-M251 HydrophobicContact CG1-SD 3.71Å; L180-M251 HydrophobicContact CD2-CB 3.74Å; F183-M251 HydrophobicContact CE2-SD 3.61Å; F183-M251 HydrophobicContact CZ-CB 4.43Å; F183-M251 HydrophobicContact CZ-CE 3.96Å; F183-M251 HydrophobicContact CZ-SD 3.55Å; F183-M251 VanDerWaalsContact CZ-SD 3.55Å; P200-M251 HydrophobicContact CB-CG 3.61Å; P200-M251 HydrophobicContact CB-SD 3.91Å; V202-M251 HydrophobicContact CG2-CB 3.95Å; V202-M251 HydrophobicContact CG2-CE 4.29Å; V202-M251 HydrophobicContact CG2-CG 3.91Å; L227-M251 HydrophobicContact CD1-CG 4.48Å; S247-M251 WeakPolarHBondContact O-CB 3.36Å; S247-M251 VanDerWaalsContact O-CG 3.26Å; S247-M251 WeakPolarHBondContact O-CG 3.34Å; S247-M251 PolarHBondContact O-N 3.23Å; H248-M251 PolarHBondContact O-N 3.12Å; M251-A254 PolarHBondContact O-N 3.38Å; M251-F255 VanDerWaalsContact O-CB 3.26Å; M251-F255 WeakPolarHBondContact O-CB 3.48Å; M251-F255 PolarHBondContact O-N 3.33Å
252R97.9Very high92.8Very high95 Ų9547.2 Ų47.236%0.35826%0.256SS..Hα-helixtrans-65-45.9178.2-177.9175.5-177.3-90.3-2.6111.6D179 L180 H248 S249 A254 F255 L256D179-R252 WeakPolarHBondContact OD1-CD 3.48Å; D179-R252 WeakPolarHBondContact OD1-CG 3.48Å; D179-R252 IonicContact OD1-CZ 3.58Å; D179-R252 IonicContact OD1-NE 2.85Å; D179-R252 PolarHBondContact OD1-NE 3.42Å; D179-R252 IonicContact OD1-NH2 3.31Å; D179-R252 IonicContact OD2-CZ 3.83Å; D179-R252 IonicContact OD2-NE 2.65Å; D179-R252 PolarHBondContact OD2-NE 3.38Å; D179-R252 IonicContact OD2-NH2 2.84Å; D179-R252 PolarHBondContact OD2-NH2 2.92Å; L180-R252 HydrophobicContact CD2-CB 4.38Å; H248-R252 VanDerWaalsContact O-CB 3.24Å; H248-R252 WeakPolarHBondContact O-CB 3.42Å; H248-R252 PolarHBondContact O-N 2.87Å; S249-R252 PolarHBondContact O-N 3.38Å; R252-A254 PolarHBondContact O-N 2.93Å; R252-F255 WeakPolarHBondContact O-CB 3.34Å; R252-F255 PolarHBondContact O-N 3.42Å; R252-L256 HydrophobicContact CG-CD1 4.37Å; R252-L256 WeakPolarHBondContact O-CG 3.46Å; R252-L256 PolarHBondContact O-N 3Å
253T98.1Very high90.8Very high76 Ų7647 Ų4747%0.46626%0.261SS..Hα-helixtrans-58-50175.3-61.70000110.7S249 F255 L256 E257S249-T253 PolarHBondContact O-N 3.27Å; S249-T253 PolarHBondContact O-OG1 3.4Å; S249-T253 VanDerWaalsContact O-OG1 3.1Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 3.21Å; T253-L256 PolarHBondContact O-N 3.27Å; T253-E257 WeakPolarHBondContact O-CG 3.3Å; T253-E257 PolarHBondContact O-N 2.88Å
254A98Very high88.4Confident4 Ų455.5 Ų55.53%0.03330%0.297CS..Hα-helixtrans-60.9-38176.400000112.7V202 L227 L250 M251 R252 E257 I258V202-A254 HydrophobicContact CB-CB 4.45Å; V202-A254 HydrophobicContact CG2-CB 4.05Å; L227-A254 HydrophobicContact CD1-CB 4.06Å; L227-A254 HydrophobicContact CD2-CB 4.01Å; L250-A254 PolarHBondContact O-N 2.85Å; L250-A254 VanDerWaalsContact O-N 3.1Å; M251-A254 PolarHBondContact O-N 3.38Å; R252-A254 PolarHBondContact O-N 2.93Å; A254-E257 PolarHBondContact O-N 2.67Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.44Å; A254-I258 WeakPolarHBondContact O-CG2 3.22Å; A254-I258 PolarHBondContact O-N 3.45Å
255F97.7Very high86.1Confident5 Ų558.5 Ų58.52%0.02232%0.318CS..Hα-helixtrans-62.1-47.7178.7175.2-97000111.4G178 L180 V202 F203 M251 R252 T253 S259G178-F255 WeakPolarHBondContact O-CE1 3.17Å; L180-F255 HydrophobicContact CD1-CB 3.65Å; L180-F255 HydrophobicContact CD1-CD1 3.77Å; L180-F255 HydrophobicContact CD1-CD2 3.87Å; L180-F255 HydrophobicContact CD1-CE1 4.4Å; L180-F255 HydrophobicContact CD1-CE2 4.49Å; L180-F255 HydrophobicContact CD1-CG 3.47Å; L180-F255 VanDerWaalsContact CD1-CG 3.47Å; V202-F255 HydrophobicContact CG1-CB 3.64Å; V202-F255 HydrophobicContact CG1-CD2 4.17Å; V202-F255 HydrophobicContact CG1-CG 4.43Å; F203-F255 WeakPolarHBondContact O-CD2 3.35Å; F203-F255 VanDerWaalsContact O-CE2 3.3Å; F203-F255 WeakPolarHBondContact O-CE2 3.49Å; M251-F255 VanDerWaalsContact O-CB 3.26Å; M251-F255 WeakPolarHBondContact O-CB 3.48Å; M251-F255 PolarHBondContact O-N 3.33Å; R252-F255 WeakPolarHBondContact O-CB 3.34Å; R252-F255 PolarHBondContact O-N 3.42Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 3.21Å; F255-S259 WeakPolarHBondContact O-CB 3.29Å; F255-S259 PolarHBondContact O-N 3.19Å; F255-S259 PolarHBondContact O-OG 2.94Å
256L95.8Very high83.6Confident56 Ų5658.5 Ų58.529%0.29332%0.318SS..Hα-helixtrans-62.9-46.3178.1-65.6173.6000110.8R252 T253 I258 S259 D260R252-L256 HydrophobicContact CG-CD1 4.37Å; R252-L256 WeakPolarHBondContact O-CG 3.46Å; R252-L256 PolarHBondContact O-N 3Å; T253-L256 PolarHBondContact O-N 3.27Å; L256-I258 PolarHBondContact O-N 3.13Å; L256-S259 PolarHBondContact O-N 3.26Å; L256-D260 WeakPolarHBondContact O-CB 3.32Å; L256-D260 VanDerWaalsContact O-CG 3.28Å; L256-D260 PolarHBondContact O-N 3.45Å
257E95.2Very high80.7Confident102 Ų10256 Ų5648%0.47732%0.319SS..Hα-helixtrans-57.8-50.4178.2-73.1175.5-173.200113R225 T253 A254 S259 S261R225-E257 IonicContact CZ-OE2 2.66Å; R225-E257 IonicContact NH1-OE2 3.68Å; R225-E257 PolarHBondContact NH1-OE2 3.06Å; R225-E257 IonicContact NH2-OE2 2.84Å; T253-E257 WeakPolarHBondContact O-CG 3.3Å; T253-E257 PolarHBondContact O-N 2.88Å; A254-E257 PolarHBondContact O-N 2.67Å; E257-S259 VanDerWaalsContact C-N 3.33Å; E257-S261 PolarHBondContact O-N 3.39Å
258I95.2Very high77.6Confident18 Ų1861.9 Ų61.99%0.09236%0.357CS..Hα-helixtrans-75.7-24.4-177.371.3-178.8000112V202 R225 A254 L256 S261 V262V202-I258 HydrophobicContact CB-CD1 4.27Å; V202-I258 HydrophobicContact CG1-CD1 3.94Å; R225-I258 HydrophobicContact CB-CD1 4.15Å; R225-I258 HydrophobicContact CB-CG2 4.17Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.44Å; A254-I258 WeakPolarHBondContact O-CG2 3.22Å; A254-I258 PolarHBondContact O-N 3.45Å; L256-I258 PolarHBondContact O-N 3.13Å; I258-S261 PolarHBondContact O-OG 3.13Å; I258-V262 WeakPolarHBondContact O-CG2 3.35Å
259S91.7Very high74.5Confident13 Ų1367 Ų679%0.09139%0.385CS..Hα-helixtrans-81-36.8177.3-58.50000112.4S205 F255 L256 E257 S261 V262 A263S205-S259 WeakPolarHBondContact CB-OG 3.47Å; S205-S259 PolarHBondContact N-OG 3.33Å; F255-S259 WeakPolarHBondContact O-CB 3.29Å; F255-S259 PolarHBondContact O-N 3.19Å; F255-S259 PolarHBondContact O-OG 2.94Å; L256-S259 PolarHBondContact O-N 3.26Å; E257-S259 VanDerWaalsContact C-N 3.33Å; S259-S261 VanDerWaalsContact C-N 3.3Å; S259-S261 PolarHBondContact O-N 2.85Å; S259-V262 WeakPolarHBondContact O-CA 3.46Å; S259-V262 WeakPolarHBondContact O-CB 3.32Å; S259-V262 PolarHBondContact O-N 3.46Å; S259-A263 PolarHBondContact O-N 3.36Å
260D77.7Confident71.3Confident95 Ų9573.8 Ų73.851%0.50841%0.406SS..Hα-helixtrans-67.9-32.6176.2-74.6-11.7000111.9L256 V262 A263 K264L256-D260 WeakPolarHBondContact O-CB 3.32Å; L256-D260 VanDerWaalsContact O-CG 3.28Å; L256-D260 PolarHBondContact O-N 3.45Å; D260-V262 PolarHBondContact O-N 3.35Å; D260-A263 PolarHBondContact O-N 3.01Å; D260-A263 VanDerWaalsContact O-N 3.16Å; D260-K264 PolarHBondContact O-N 2.9Å
261S60.9Low68.2Low51 Ų5181.2 Ų81.236%0.35744%0.438SS..Hα-helixtrans-59.5-28.9170.679.90000112.5E257 I258 S259 S265E257-S261 PolarHBondContact O-N 3.39Å; I258-S261 PolarHBondContact O-OG 3.13Å; S259-S261 VanDerWaalsContact C-N 3.3Å; S259-S261 PolarHBondContact O-N 2.85Å; S261-S265 WeakPolarHBondContact O-CB 3.36Å; S261-S265 PolarHBondContact O-N 3.33Å; S261-S265 PolarHBondContact O-OG 2.95Å
262V56.3Low66.7Low10 Ų1085.3 Ų85.36%0.06146%0.46CS..Hα-helixtrans-71.6-42.6175.2-1770000110.9S208 I258 S259 D260 K264 S265 N266S208-V262 WeakPolarHBondContact OG-CG1 3.49Å; I258-V262 WeakPolarHBondContact O-CG2 3.35Å; S259-V262 WeakPolarHBondContact O-CA 3.46Å; S259-V262 WeakPolarHBondContact O-CB 3.32Å; S259-V262 PolarHBondContact O-N 3.46Å; D260-V262 PolarHBondContact O-N 3.35Å; V262-K264 VanDerWaalsContact C-N 3.25Å; V262-K264 PolarHBondContact O-N 2.88Å; V262-S265 PolarHBondContact O-N 3.34Å; V262-S265 PolarHBondContact O-OG 3.42Å; V262-N266 PolarHBondContact O-N 2.93Å
263A56.6Low65.1Low78 Ų7884.7 Ų84.765%0.64547%0.465SS*.Hα-helixtrans-61.3-36.5177.800000111.7S259 D260S259-A263 PolarHBondContact O-N 3.36Å; D260-A263 PolarHBondContact O-N 3.01Å; D260-A263 VanDerWaalsContact O-N 3.16Å
264K47.5Very low63.2Low184 Ų18485.2 Ų85.280%0.847%0.465SS*.Hα-helixtrans-81-31.7178.7-66.3179.9-178.4176.40113.9D260 V262 N266D260-K264 PolarHBondContact O-N 2.9Å; V262-K264 VanDerWaalsContact C-N 3.25Å; V262-K264 PolarHBondContact O-N 2.88Å; K264-N266 VanDerWaalsContact C-N 3.34Å
265S49.5Very low61.2Low65 Ų6590 Ų9046%0.45549%0.49SS..Hα-helixtrans-76.7-19179.969.50000114S261 V262 G267S261-S265 WeakPolarHBondContact O-CB 3.36Å; S261-S265 PolarHBondContact O-N 3.33Å; S261-S265 PolarHBondContact O-OG 2.95Å; V262-S265 PolarHBondContact O-N 3.34Å; V262-S265 PolarHBondContact O-OG 3.42Å; S265-G267 VanDerWaalsContact C-N 3.33Å; S265-G267 PolarHBondContact O-N 3.41Å
266N46.6Very low58.9Low91 Ų9195.3 Ų95.349%0.48752%0.519SS..THydrogen-bonded Turntrans-9631.6-177.2-67.1-6.1000113.1S208 V262 K264S208-N266 VanDerWaalsContact CB-ND2 3.34Å; S208-N266 WeakPolarHBondContact CB-ND2 3.41Å; V262-N266 PolarHBondContact O-N 2.93Å; K264-N266 VanDerWaalsContact C-N 3.34Å
267G38Very low56.5Low46 Ų4697.9 Ų97.947%0.47454%0.535SS..SBendtrans-50.3149.1162.300000110.2S265 L269S265-G267 VanDerWaalsContact C-N 3.33Å; S265-G267 PolarHBondContact O-N 3.41Å; G267-L269 PolarHBondContact O-N 3.47Å; G267-L269 VanDerWaalsContact O-N 3.1Å
268P32Very low53.7Low123 Ų12397.6 Ų97.680%0.79954%0.539SS*.  trans-51.8124-165.420.8-31.7000110K270P268-K270 VanDerWaalsContact C-N 3.34Å; P268-K270 PolarHBondContact O-N 3.08Å
269L35Very low50.5Low146 Ų146103.8 Ų103.876%0.76457%0.573SS**  trans-54.4105.9165.6-77.9160.7000105.8G267 H271G267-L269 PolarHBondContact O-N 3.47Å; G267-L269 VanDerWaalsContact O-N 3.1Å; L269-H271 VanDerWaalsContact C-N 3.27Å; L269-H271 PolarHBondContact O-N 3.47Å
270K30.9Very low47.1Very low211 Ų211111.3 Ų111.392%0.91761%0.613SS**  trans-62.698.6165.4-74.7-173.9176.7-176.50105.8P268P268-K270 VanDerWaalsContact C-N 3.34Å; P268-K270 PolarHBondContact O-N 3.08Å
271H33.8Very low44.3Very low236 Ų236112.8 Ų112.8100%1.09362%0.623SS**  trans-83.10155.7-75.1-65.8000108.2L269L269-H271 VanDerWaalsContact C-N 3.27Å; L269-H271 PolarHBondContact O-N 3.47Å

Retrieved 271 of 271 residues in 531.3 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).