A0A087XUL5_POEFO Loading...

2'-phosphotransferase

Catalyzes the last step of tRNA splicing, the transfer of the splice junction 2'-phosphate from ligated tRNA to NAD to produce ADP-ribose 1''-2'' cyclic phosphate.

AlphaFold DB , UniProt , Accession A0A087XUL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 aa.

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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
1M41.6Very low41.9Very low252 Ų252175.3 Ų175.3100%1.24190%0.901SS**  099.70-71.5177.4177.800107.3
2D42.7Very low42.3Very low151 Ų151166.4 Ų166.481%0.80789%0.886SS**  trans-83.5132.5175.8173.631.2000109.4
3R39.6Very low43.1Very low248 Ų248158.2 Ų158.294%0.93686%0.864SS**  trans-147.692.5159.5-72.9-160178.41790.6110.4
4G35.3Very low43.9Very low67 Ų67163.5 Ų163.569%0.69187%0.865SS**PPolyproline II helixtrans-62.9152.4170.400000114.9
5R45.6Very low45Very low252 Ų252156.3 Ų156.395%0.95185%0.845SS**PPolyproline II helixtrans-67.9124.5174.5-68.7173.9171-166.3-3.9111.3
6G36.2Very low46.1Very low84 Ų84155.1 Ų155.187%0.86683%0.83SS**PPolyproline II helixtrans-81.6116168.700000111.8
7R42.7Very low47.2Very low247 Ų247156.6 Ų156.693%0.93282%0.821SS**PPolyproline II helixtrans-67134.8177.2-78.7170.7156.1173.4-6.2112.2
8G38.2Very low48.8Very low78 Ų78152.3 Ų152.380%0.80481%0.806SS**PPolyproline II helixtrans-63.7128.3164.200000111.7
9G39.3Very low50.3Low75 Ų75149.2 Ų149.277%0.77379%0.787SS**PPolyproline II helixtrans-77.3121.417800000112.3R11G9-R11 PolarHBondContact O-N 3.46Å; G9-R11 VanDerWaalsContact O-N 3.16Å
10K48.7Very low51.7Low217 Ų217146.7 Ų146.794%0.94377%0.771SS**  trans-68.1100.1164.2-84-178.8172.6-179.70109.8
11R50.6Low53.3Low257 Ų257144.7 Ų144.797%0.9776%0.761SS**  trans-97.991.1162.4-81.9-178.3164-175.6-3.7108.7G9G9-R11 PolarHBondContact O-N 3.46Å; G9-R11 VanDerWaalsContact O-N 3.16Å
12G47.6Very low55.6Low69 Ų69136.1 Ų136.171%0.71172%0.717SS**  trans-145.92.2-179.700000116.6
13G52Low57.9Low59 Ų59130 Ų13061%0.60868%0.683SS**SBendtrans-106.2-14.2-169.400000116.9
14R54.6Low60.3Low233 Ų233121.6 Ų121.688%0.87966%0.66SS**Hα-helixtrans-89.2-32.4-167.6-160.1169.9-179.3156.8-1.7114.2
15G60.7Low63Low55 Ų55123.4 Ų123.457%0.56765%0.65SS**Hα-helixtrans-70.6-48177.600000112.6R17 S18 E19G15-R17 VanDerWaalsContact C-N 3.34Å; G15-R17 PolarHBondContact O-N 3.3Å; G15-S18 WeakPolarHBondContact O-CB 3.18Å; G15-S18 PolarHBondContact O-N 3.26Å; G15-S18 VanDerWaalsContact O-N 3.13Å; G15-E19 PolarHBondContact O-N 2.67Å
16K61.7Low65.3Low138 Ų138111.4 Ų111.460%0.661%0.605SS**Hα-helixtrans-58-40.9-177.3-170175.6179.71790113.8S18 E19 E20K16-S18 PolarHBondContact O-N 3.06Å; K16-E19 PolarHBondContact O-N 3.21Å; K16-E20 WeakPolarHBondContact CE-OE1 3.43Å; K16-E20 WeakPolarHBondContact O-CG 3.37Å; K16-E20 PolarHBondContact O-N 3.17Å
17R65.4Low68Low180 Ų180108.1 Ų108.168%0.67957%0.569SS**Hα-helixtrans-68.3-35.3179.6-165.3172.2-179.5175.30.5112.5G15 E19 D21G15-R17 VanDerWaalsContact C-N 3.34Å; G15-R17 PolarHBondContact O-N 3.3Å; R17-E19 VanDerWaalsContact C-N 3.32Å; R17-D21 WeakPolarHBondContact O-CB 3.36Å; R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 2.75Å
18S76.3Confident70.4Confident79 Ų79103.2 Ų103.255%0.55255%0.554SS**Hα-helixtrans-69.1-32.9176.7-1750000112.2G15 K16 K22G15-S18 WeakPolarHBondContact O-CB 3.18Å; G15-S18 PolarHBondContact O-N 3.26Å; G15-S18 VanDerWaalsContact O-N 3.13Å; K16-S18 PolarHBondContact O-N 3.06Å; S18-K22 WeakPolarHBondContact O-CB 3.49Å; S18-K22 PolarHBondContact O-N 2.96Å
19E76.6Confident73Confident94 Ų94100 Ų10044%0.43952%0.519SS..Hα-helixtrans-75.1-43177.7-168.3176.5-167.400111.3G15 K16 R17 D21 K22 D23 R72G15-E19 PolarHBondContact O-N 2.67Å; K16-E19 PolarHBondContact O-N 3.21Å; R17-E19 VanDerWaalsContact C-N 3.32Å; E19-D21 VanDerWaalsContact C-N 3.29Å; E19-D21 PolarHBondContact O-N 2.87Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.89Å; E19-K22 VanDerWaalsContact O-N 3.1Å; E19-D23 PolarHBondContact O-N 3Å; E19-R72 IonicContact OE1-CZ 3.11Å; E19-R72 IonicContact OE1-NE 3.88Å; E19-R72 IonicContact OE1-NH1 3.2Å; E19-R72 PolarHBondContact OE1-NH1 3.12Å; E19-R72 IonicContact OE1-NH2 3.33Å
20E77.9Confident75.7Confident99 Ų9996.4 Ų96.446%0.46348%0.482SS..Hα-helixtrans-57-42.3170.8-74.3171.4-169.900111.6K16 D23 V24K16-E20 WeakPolarHBondContact CE-OE1 3.43Å; K16-E20 WeakPolarHBondContact O-CG 3.37Å; K16-E20 PolarHBondContact O-N 3.17Å; E20-D23 PolarHBondContact O-N 3.34Å; E20-V24 VanDerWaalsContact O-CG2 3.25Å; E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 2.88Å
21D84.9Confident77.8Confident104 Ų10486.9 Ų86.956%0.55644%0.443SS*.Hα-helixtrans-65.8-39.1175.7-72.6-27000112R17 E19 V24 H25R17-D21 WeakPolarHBondContact O-CB 3.36Å; R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 2.75Å; E19-D21 VanDerWaalsContact C-N 3.29Å; E19-D21 PolarHBondContact O-N 2.87Å; D21-V24 PolarHBondContact O-N 3.25Å; D21-H25 PolarHBondContact O-N 3.16Å
22K90Very high79.8Confident73 Ų7379.4 Ų79.432%0.31742%0.416SS..Hα-helixtrans-62.3-42.7175.8-171.6-178.3-172.4-149.20111.1S18 E19 H25 L26 L64 Y65 D69S18-K22 WeakPolarHBondContact O-CB 3.49Å; S18-K22 PolarHBondContact O-N 2.96Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.89Å; E19-K22 VanDerWaalsContact O-N 3.1Å; K22-H25 WeakPolarHBondContact O-CB 3.44Å; K22-H25 PolarHBondContact O-N 3.44Å; K22-L26 PolarHBondContact O-N 2.87Å; K22-L64 WeakPolarHBondContact CE-O 3.38Å; K22-L64 PolarHBondContact NZ-O 3.33Å; K22-Y65 HydrophobicContact CD-CE1 4.25Å; K22-Y65 HydrophobicContact CG-CD1 4.34Å; K22-Y65 HydrophobicContact CG-CE1 3.66Å; K22-D69 IonicContact NZ-OD2 3.39Å; K22-D69 PolarHBondContact NZ-OD2 3.34Å
23D91.4Very high82Confident21 Ų2176.1 Ų76.111%0.11238%0.382CS..Hα-helixtrans-66.7-42.8177.6-74.33.1000112.9E19 E20 H25 L26 S27 R72 V73E19-D23 PolarHBondContact O-N 3Å; E20-D23 PolarHBondContact O-N 3.34Å; D23-H25 PolarHBondContact O-N 2.92Å; D23-L26 PolarHBondContact O-N 2.85Å; D23-S27 WeakPolarHBondContact O-CB 3.47Å; D23-S27 PolarHBondContact O-N 2.78Å; D23-R72 IonicContact OD1-CZ 2.72Å; D23-R72 IonicContact OD1-NH1 3.73Å; D23-R72 PolarHBondContact OD1-NH1 2.69Å; D23-R72 IonicContact OD1-NH2 2.82Å; D23-R72 PolarHBondContact OD1-NH2 2.73Å; D23-R72 IonicContact OD2-CZ 3.98Å; D23-R72 IonicContact OD2-NH1 3.68Å; D23-R72 PolarHBondContact OD2-NH1 2.82Å; D23-R72 IonicContact OD2-NH2 3.23Å; D23-V73 HydrophobicContact CB-CG2 3.77Å
24V89.8Confident84Confident72 Ų7273.3 Ų73.344%0.43635%0.353SS..Hα-helixtrans-61.1-39.2176.2169.30000109.9E20 D21 K28E20-V24 VanDerWaalsContact O-CG2 3.25Å; E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 2.88Å; D21-V24 PolarHBondContact O-N 3.25Å; V24-K28 HydrophobicContact CG1-CD 4.25Å; V24-K28 WeakPolarHBondContact O-CB 3.27Å; V24-K28 VanDerWaalsContact O-CG 3.27Å; V24-K28 WeakPolarHBondContact O-CG 3.3Å; V24-K28 PolarHBondContact O-N 3.09Å; V24-K28 VanDerWaalsContact O-N 3.08Å
25H92.5Very high85.7Confident105 Ų10563.5 Ų63.549%0.48632%0.316SS..Hα-helixtrans-67-45.9175.5-170.3-88.7000112.3D21 K22 D23 K28 S29 Y65D21-H25 PolarHBondContact O-N 3.16Å; K22-H25 WeakPolarHBondContact O-CB 3.44Å; K22-H25 PolarHBondContact O-N 3.44Å; D23-H25 PolarHBondContact O-N 2.92Å; H25-K28 PolarHBondContact O-N 3.42Å; H25-S29 WeakPolarHBondContact O-CB 3.47Å; H25-S29 PolarHBondContact O-N 3.06Å; H25-S29 PolarHBondContact O-OG 2.9Å; H25-Y65 PolarHBondContact ND1-OH 2.91Å
26L94.5Very high87.1Confident0 Ų063.6 Ų63.60%030%0.301CS..Hα-helixtrans-60.2-49.2176.2178.854.2000111.1K22 D23 K28 S29 M30 F62 Y65 D69 V70 V73K22-L26 PolarHBondContact O-N 2.87Å; D23-L26 PolarHBondContact O-N 2.85Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 3.1Å; L26-S29 PolarHBondContact O-N 3.13Å; L26-S29 VanDerWaalsContact O-N 3.1Å; L26-M30 HydrophobicContact CD1-CG 3.78Å; L26-M30 HydrophobicContact CD1-SD 3.97Å; L26-M30 HydrophobicContact CG-CE 4.07Å; L26-M30 HydrophobicContact CG-CG 4.28Å; L26-M30 HydrophobicContact CG-SD 4.09Å; L26-M30 WeakPolarHBondContact O-CG 3.45Å; L26-M30 PolarHBondContact O-N 2.79Å; L26-F62 HydrophobicContact CD1-CD1 3.75Å; L26-F62 HydrophobicContact CD1-CE1 3.87Å; L26-Y65 HydrophobicContact CB-CD1 4.04Å; L26-Y65 HydrophobicContact CB-CE1 3.64Å; L26-Y65 HydrophobicContact CD1-CD1 4.05Å; L26-Y65 HydrophobicContact CD1-CD2 3.75Å; L26-Y65 HydrophobicContact CD1-CE1 4.25Å; L26-Y65 HydrophobicContact CD1-CE2 3.99Å; L26-Y65 HydrophobicContact CD1-CG 3.78Å; L26-Y65 HydrophobicContact CD2-CD1 3.72Å; L26-Y65 HydrophobicContact CD2-CE1 4.23Å; L26-Y65 HydrophobicContact CD2-CG 4.03Å; L26-Y65 HydrophobicContact CG-CD1 4.15Å; L26-Y65 HydrophobicContact CG-CE1 4.24Å; L26-Y65 HydrophobicContact CG-CG 4.36Å; L26-D69 HydrophobicContact CD2-CB 3.81Å; L26-V70 HydrophobicContact CD2-CG2 4.41Å; L26-V73 HydrophobicContact CB-CG2 4.19Å; L26-V73 HydrophobicContact CD2-CB 4.35Å; L26-V73 HydrophobicContact CD2-CG2 3.79Å; L26-V73 HydrophobicContact CG-CG2 4.13Å
27S93.1Very high88.4Confident16 Ų1657 Ų5711%0.11227%0.272CS..Hα-helixtrans-57.1-40.6178.1-168.90000112.7D23 S31 F82D23-S27 WeakPolarHBondContact O-CB 3.47Å; D23-S27 PolarHBondContact O-N 2.78Å; S27-S31 VanDerWaalsContact O-CB 3.23Å; S27-S31 WeakPolarHBondContact O-CB 3.44Å; S27-S31 PolarHBondContact O-N 3.06Å; S27-S31 PolarHBondContact O-OG 3.01Å; S27-F82 WeakPolarHBondContact O-CZ 3.19Å
28K91.9Very high89.6Confident143 Ų14348.4 Ų48.462%0.62224%0.24SC*.Hα-helixtrans-68.1-44.3174.9-75.9173-179174.30111.8V24 H25 L26 S31 Y32V24-K28 HydrophobicContact CG1-CD 4.25Å; V24-K28 WeakPolarHBondContact O-CB 3.27Å; V24-K28 VanDerWaalsContact O-CG 3.27Å; V24-K28 WeakPolarHBondContact O-CG 3.3Å; V24-K28 PolarHBondContact O-N 3.09Å; V24-K28 VanDerWaalsContact O-N 3.08Å; H25-K28 PolarHBondContact O-N 3.42Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 3.1Å; K28-S31 WeakPolarHBondContact O-CB 3.18Å; K28-S31 PolarHBondContact O-N 2.89Å; K28-Y32 PolarHBondContact O-N 2.88Å
29S94.1Very high90.1Very high10 Ų1049.8 Ų49.87%0.0725%0.245CC..Hα-helixtrans-62.1-51.5178.9-60.40000110.7H25 L26 S31 Y32 V33H25-S29 WeakPolarHBondContact O-CB 3.47Å; H25-S29 PolarHBondContact O-N 3.06Å; H25-S29 PolarHBondContact O-OG 2.9Å; L26-S29 PolarHBondContact O-N 3.13Å; L26-S29 VanDerWaalsContact O-N 3.1Å; S29-S31 VanDerWaalsContact C-N 3.32Å; S29-S31 PolarHBondContact O-N 3.08Å; S29-Y32 WeakPolarHBondContact O-CB 3.39Å; S29-Y32 PolarHBondContact O-N 3.01Å; S29-V33 WeakPolarHBondContact O-CG2 3.36Å; S29-V33 PolarHBondContact O-N 3.41Å
30M94.8Very high90.7Very high0 Ų052.5 Ų52.50%026%0.258CS..Hα-helixtrans-58.6-42.6174.8-65.8-169.7-51.800112L26 Y32 V33 L34 L56 F62 V70 V73 F82 I95L26-M30 HydrophobicContact CD1-CG 3.78Å; L26-M30 HydrophobicContact CD1-SD 3.97Å; L26-M30 HydrophobicContact CG-CE 4.07Å; L26-M30 HydrophobicContact CG-CG 4.28Å; L26-M30 HydrophobicContact CG-SD 4.09Å; L26-M30 WeakPolarHBondContact O-CG 3.45Å; L26-M30 PolarHBondContact O-N 2.79Å; M30-Y32 PolarHBondContact O-N 2.84Å; M30-V33 PolarHBondContact O-N 3.48Å; M30-L34 HydrophobicContact CB-CD1 4.19Å; M30-L34 VanDerWaalsContact O-CB 3.28Å; M30-L34 WeakPolarHBondContact O-CB 3.23Å; M30-L34 VanDerWaalsContact O-CG 3.23Å; M30-L34 WeakPolarHBondContact O-CG 3.5Å; M30-L34 PolarHBondContact O-N 3.34Å; M30-L56 HydrophobicContact CG-CD2 4.22Å; M30-L56 HydrophobicContact SD-CD2 4.33Å; M30-F62 HydrophobicContact CG-CE1 3.92Å; M30-V70 HydrophobicContact SD-CG1 4.16Å; M30-V70 HydrophobicContact SD-CG2 4.27Å; M30-V73 HydrophobicContact CE-CB 3.94Å; M30-V73 HydrophobicContact CE-CG1 3.32Å; M30-F82 HydrophobicContact CB-CE1 3.93Å; M30-F82 HydrophobicContact CB-CZ 3.94Å; M30-F82 HydrophobicContact CE-CD2 3.99Å; M30-F82 HydrophobicContact CE-CE1 4.49Å; M30-F82 HydrophobicContact CE-CE2 3.6Å; M30-F82 HydrophobicContact CE-CZ 3.88Å; M30-I95 HydrophobicContact SD-CD1 4.01Å
31S92.6Very high91.3Very high17 Ų1749.1 Ų49.112%0.11924%0.242CC..Hα-helixtrans-58.6-36.7175.7-690000112.5S27 K28 S29 R35 F82S27-S31 VanDerWaalsContact O-CB 3.23Å; S27-S31 WeakPolarHBondContact O-CB 3.44Å; S27-S31 PolarHBondContact O-N 3.06Å; S27-S31 PolarHBondContact O-OG 3.01Å; K28-S31 WeakPolarHBondContact O-CB 3.18Å; K28-S31 PolarHBondContact O-N 2.89Å; S29-S31 VanDerWaalsContact C-N 3.32Å; S29-S31 PolarHBondContact O-N 3.08Å; S31-R35 WeakPolarHBondContact O-CB 3.15Å; S31-R35 VanDerWaalsContact O-CD 3.26Å; S31-R35 WeakPolarHBondContact O-CD 3.21Å; S31-R35 WeakPolarHBondContact O-CG 3.45Å; S31-R35 PolarHBondContact O-N 2.79Å; S31-F82 WeakPolarHBondContact OG-CZ 3.39Å
32Y93.8Very high91.6Very high101 Ų10146.8 Ų46.840%0.39624%0.243SC..Hα-helixtrans-70.4-51177.1170.6-102.1000111.2K28 S29 M30 R35 H36 G37 Q40 M41K28-Y32 PolarHBondContact O-N 2.88Å; S29-Y32 WeakPolarHBondContact O-CB 3.39Å; S29-Y32 PolarHBondContact O-N 3.01Å; M30-Y32 PolarHBondContact O-N 2.84Å; Y32-R35 PolarHBondContact O-N 3.26Å; Y32-H36 HydrophobicContact CD2-CB 4.11Å; Y32-H36 HydrophobicContact CE2-CB 4.08Å; Y32-H36 WeakPolarHBondContact O-CA 3.47Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.44Å; Y32-G37 PolarHBondContact O-N 2.92Å; Y32-Q40 PolarHBondContact OH-OE1 2.84Å; Y32-M41 HydrophobicContact CD1-SD 4.45Å; Y32-M41 HydrophobicContact CE1-SD 4.21Å
33V94.1Very high91.7Very high0 Ų044 Ų440%023%0.231CC..Iπ-helixtrans-59.3-53.3-178179.60000111.3S29 M30 R35 G37 A38 M41 L43 L51 L56 F62S29-V33 WeakPolarHBondContact O-CG2 3.36Å; S29-V33 PolarHBondContact O-N 3.41Å; M30-V33 PolarHBondContact O-N 3.48Å; V33-R35 PolarHBondContact O-N 3.22Å; V33-G37 PolarHBondContact O-N 3.1Å; V33-A38 HydrophobicContact CG1-CB 4.4Å; V33-A38 WeakPolarHBondContact O-CB 3.47Å; V33-A38 PolarHBondContact O-N 2.71Å; V33-M41 HydrophobicContact CB-SD 4.25Å; V33-M41 HydrophobicContact CG1-SD 4.24Å; V33-M41 HydrophobicContact CG2-CE 3.67Å; V33-M41 HydrophobicContact CG2-SD 3.3Å; V33-M41 WeakPolarHBondContact CG2-SD 3.17Å; V33-L43 HydrophobicContact CG1-CD1 3.48Å; V33-L43 VanDerWaalsContact CG1-CD1 3.48Å; V33-L51 HydrophobicContact CG1-CD2 4.27Å; V33-L56 HydrophobicContact CB-CD1 4.48Å; V33-L56 HydrophobicContact CG1-CD1 4.02Å; V33-F62 HydrophobicContact CG2-CE2 3.77Å; V33-F62 HydrophobicContact CG2-CZ 3.63Å
34L93Very high91.6Very high0 Ų050.3 Ų50.30%026%0.26CS..Iπ-helixtrans-70.3-13.5-173.9-61.3170.3000113.5M30 L51 F82 I95 A97 H101M30-L34 HydrophobicContact CB-CD1 4.19Å; M30-L34 VanDerWaalsContact O-CB 3.28Å; M30-L34 WeakPolarHBondContact O-CB 3.23Å; M30-L34 VanDerWaalsContact O-CG 3.23Å; M30-L34 WeakPolarHBondContact O-CG 3.5Å; M30-L34 PolarHBondContact O-N 3.34Å; L34-L51 HydrophobicContact CD2-CD1 4.28Å; L34-L51 HydrophobicContact CD2-CD2 3.44Å; L34-L51 VanDerWaalsContact CD2-CD2 3.44Å; L34-L51 HydrophobicContact CD2-CG 3.71Å; L34-F82 HydrophobicContact CD1-CD1 3.66Å; L34-F82 HydrophobicContact CD1-CE1 3.92Å; L34-I95 HydrophobicContact CD1-CD1 4.12Å; L34-I95 HydrophobicContact CD1-CG1 3.98Å; L34-I95 HydrophobicContact CD1-CG2 4.47Å; L34-I95 HydrophobicContact CD2-CG2 4.07Å; L34-A97 HydrophobicContact CB-CB 3.84Å; L34-H101 PolarHBondContact O-CD2 3.33Å; L34-H101 PolarHBondContact O-NE2 3.49Å
35R91.4Very high91.7Very high26 Ų2649 Ų4910%0.09825%0.25CC..Iπ-helixtrans-111-28.9-179.1-66.9176.2170.7146.14.3114.4S31 Y32 V33 A97 Q99 G100 H101 S102 L103S31-R35 WeakPolarHBondContact O-CB 3.15Å; S31-R35 VanDerWaalsContact O-CD 3.26Å; S31-R35 WeakPolarHBondContact O-CD 3.21Å; S31-R35 WeakPolarHBondContact O-CG 3.45Å; S31-R35 PolarHBondContact O-N 2.79Å; Y32-R35 PolarHBondContact O-N 3.26Å; V33-R35 PolarHBondContact O-N 3.22Å; R35-A97 HydrophobicContact CG-CB 3.84Å; R35-Q99 PolarHBondContact NE-O 3.3Å; R35-Q99 PolarHBondContact NH2-O 2.97Å; R35-G100 WeakPolarHBondContact CD-O 3.34Å; R35-H101 WeakPolarHBondContact O-CA 3.39Å; R35-S102 PolarHBondContact O-N 3.31Å; R35-S102 PolarHBondContact O-OG 2.87Å; R35-L103 PolarHBondContact O-N 3.28Å
36H89.5Confident91.5Very high57 Ų5746.2 Ų46.226%0.26425%0.245SC..Iπ-helixtrans-139.9-47.8-163-52.8-53.4000112.2Y32 G100 S102Y32-H36 HydrophobicContact CD2-CB 4.11Å; Y32-H36 HydrophobicContact CE2-CB 4.08Å; Y32-H36 WeakPolarHBondContact O-CA 3.47Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.44Å; H36-G100 PolarHBondContact CE1-O 2.89Å; H36-S102 VanDerWaalsContact ND1-CB 3.32Å; H36-S102 WeakPolarHBondContact ND1-CB 3.36Å; H36-S102 PolarHBondContact ND1-OG 3.47Å
37G88.7Confident91.1Very high0 Ų050.4 Ų50.40%027%0.271CS..Iπ-helixtrans-98.1-7.8-160.700000116.7Y32 V33 T39 Q40 M41Y32-G37 PolarHBondContact O-N 2.92Å; V33-G37 PolarHBondContact O-N 3.1Å; G37-T39 PolarHBondContact O-N 3.24Å; G37-Q40 WeakPolarHBondContact O-CB 3.24Å; G37-Q40 PolarHBondContact O-N 2.77Å; G37-M41 WeakPolarHBondContact O-CG 3.19Å; G37-M41 PolarHBondContact O-N 3.26Å
38A89.7Confident90.7Very high0 Ų050.9 Ų50.90%027%0.272CS..THydrogen-bonded Turntrans-48.9-54.8-171.900000113V33 Q40 M41 G42 L43 M45 L103V33-A38 HydrophobicContact CG1-CB 4.4Å; V33-A38 WeakPolarHBondContact O-CB 3.47Å; V33-A38 PolarHBondContact O-N 2.71Å; A38-Q40 PolarHBondContact O-N 3.2Å; A38-M41 CarbonylContact O-C 3.54Å; A38-M41 PolarHBondContact O-N 3.27Å; A38-M41 VanDerWaalsContact O-N 3.13Å; A38-G42 PolarHBondContact O-N 2.62Å; A38-L43 CarbonylContact C-O 3.57Å; A38-L43 HydrophobicContact CB-CB 4.42Å; A38-L43 PolarHBondContact O-N 3.35Å; A38-M45 HydrophobicContact CB-CB 4.21Å; A38-M45 HydrophobicContact CB-SD 4.3Å; A38-L103 HydrophobicContact CB-CD1 4.44Å
39T87.6Confident90.6Very high107 Ų10744.1 Ų44.166%0.65624%0.243SC*.G310 helixtrans-62.9-39.3178.8-48.30000112.9G37 M41 G42G37-T39 PolarHBondContact O-N 3.24Å; T39-M41 PolarHBondContact O-N 3.27Å; T39-G42 PolarHBondContact O-N 3.39Å; T39-G42 VanDerWaalsContact O-N 3.1Å
40Q88.3Confident90.5Very high151 Ų15143.7 Ų43.771%0.70624%0.24SC*.G310 helixtrans-65.6-25.6178.5-60.9-175.8-5600112.2Y32 G37 A38Y32-Q40 PolarHBondContact OH-OE1 2.84Å; G37-Q40 WeakPolarHBondContact O-CB 3.24Å; G37-Q40 PolarHBondContact O-N 2.77Å; A38-Q40 PolarHBondContact O-N 3.2Å
41M90.6Very high90.5Very high28 Ų2843.8 Ų43.814%0.13824%0.24CC..G310 helixtrans-95.17.3178.3-64.7175.165.100112.7Y32 V33 G37 A38 T39 L43 H59 Q61 F62Y32-M41 HydrophobicContact CD1-SD 4.45Å; Y32-M41 HydrophobicContact CE1-SD 4.21Å; V33-M41 HydrophobicContact CB-SD 4.25Å; V33-M41 HydrophobicContact CG1-SD 4.24Å; V33-M41 HydrophobicContact CG2-CE 3.67Å; V33-M41 HydrophobicContact CG2-SD 3.3Å; V33-M41 WeakPolarHBondContact CG2-SD 3.17Å; G37-M41 WeakPolarHBondContact O-CG 3.19Å; G37-M41 PolarHBondContact O-N 3.26Å; A38-M41 CarbonylContact O-C 3.54Å; A38-M41 PolarHBondContact O-N 3.27Å; A38-M41 VanDerWaalsContact O-N 3.13Å; T39-M41 PolarHBondContact O-N 3.27Å; M41-L43 HydrophobicContact CB-CD1 4.24Å; M41-L43 HydrophobicContact CB-CG 4.32Å; M41-L43 HydrophobicContact CE-CD1 4.48Å; M41-L43 PolarHBondContact O-N 3.13Å; M41-H59 WeakPolarHBondContact CE-CE1 3.31Å; M41-H59 WeakPolarHBondContact CE-ND1 3.43Å; M41-H59 PolarHBondContact O-CD2 3Å; M41-H59 PolarHBondContact O-NE2 2.79Å; M41-Q61 HydrophobicContact CE-CB 4.12Å; M41-F62 HydrophobicContact CE-CE2 3.95Å
42G91.4Very high90.7Very high55 Ų5544.9 Ų44.957%0.56724%0.243SC*.THydrogen-bonded Turntrans68.611.4-178.300000114.4A38 T39A38-G42 PolarHBondContact O-N 2.62Å; T39-G42 PolarHBondContact O-N 3.39Å; T39-G42 VanDerWaalsContact O-N 3.1Å
43L93Very high90.9Very high15 Ų1540.2 Ų40.28%0.07923%0.225CC..  trans-82.4132.3178-66.8169.6000110V33 A38 M41 D55 L56 H59V33-L43 HydrophobicContact CG1-CD1 3.48Å; V33-L43 VanDerWaalsContact CG1-CD1 3.48Å; A38-L43 CarbonylContact C-O 3.57Å; A38-L43 HydrophobicContact CB-CB 4.42Å; A38-L43 PolarHBondContact O-N 3.35Å; M41-L43 HydrophobicContact CB-CD1 4.24Å; M41-L43 HydrophobicContact CB-CG 4.32Å; M41-L43 HydrophobicContact CE-CD1 4.48Å; M41-L43 PolarHBondContact O-N 3.13Å; L43-D55 HydrophobicContact CD2-CB 4.22Å; L43-D55 WeakPolarHBondContact CD2-O 3.34Å; L43-L56 HydrophobicContact CD1-CD1 4.08Å; L43-H59 HydrophobicContact CD2-CB 4.46Å
44Q89.5Confident90.9Very high154 Ų15445 Ų4572%0.7225%0.247SC*.  trans-82.3122.8175.9-60.2-56-53.300109.4L51Q44-L51 WeakPolarHBondContact O-CB 3.29Å
45M90.6Very high91Very high44 Ų4448 Ų4822%0.21726%0.263CS..  trans-117.8128.1176.9-171.4174.868.400108.2A38 G49 L103 V105A38-M45 HydrophobicContact CB-CB 4.21Å; A38-M45 HydrophobicContact CB-SD 4.3Å; M45-G49 WeakPolarHBondContact CG-O 3.21Å; M45-L103 HydrophobicContact CE-CB 4.18Å; M45-L103 HydrophobicContact CE-CD1 3.65Å; M45-V105 HydrophobicContact CE-CG2 4.3Å
46A88.7Confident91.2Very high47 Ų4746.7 Ų46.739%0.38826%0.258SS..  trans-67.7167.1176.400000111.5D48 G49 F50A46-D48 WeakPolarHBondContact CB-OD1 3.42Å; A46-D48 PolarHBondContact O-N 2.92Å; A46-G49 PolarHBondContact O-N 2.95Å; A46-F50 PolarHBondContact N-O 3Å
47T85.9Confident91.6Very high87 Ų8745.6 Ų45.653%0.53425%0.254SS..THydrogen-bonded Turntrans-64.1-23.1-177.155.30000113.7G49 V105 M106 D107T47-G49 VanDerWaalsContact C-N 3.32Å; T47-V105 CarbonylContact O-C 3.54Å; T47-V105 VanDerWaalsContact O-CG1 3.27Å; T47-V105 WeakPolarHBondContact O-CG1 3.37Å; T47-M106 PolarHBondContact O-N 2.81Å; T47-D107 VanDerWaalsContact CB-OD2 3.23Å; T47-D107 WeakPolarHBondContact CB-OD2 3.42Å; T47-D107 PolarHBondContact O-N 3.44Å; T47-D107 VanDerWaalsContact O-N 3.17Å; T47-D107 PolarHBondContact OG1-OD2 3.37Å
48D86Confident91.8Very high27 Ų2749.5 Ų49.514%0.14429%0.287CS..THydrogen-bonded Turntrans-88.93.8175.168.4-2.6000113.9A46 F50 R85 R96 V105 D107A46-D48 WeakPolarHBondContact CB-OD1 3.42Å; A46-D48 PolarHBondContact O-N 2.92Å; D48-F50 HydrophobicContact CB-CD2 4.41Å; D48-F50 WeakPolarHBondContact OD1-CD2 3.44Å; D48-F50 PolarHBondContact OD1-N 3.22Å; D48-F50 WeakPolarHBondContact OD2-CD2 3.26Å; D48-R85 IonicContact OD1-NH2 2.77Å; D48-R85 IonicContact OD2-CZ 2.79Å; D48-R85 IonicContact OD2-NH1 2.69Å; D48-R85 PolarHBondContact OD2-NH1 2.94Å; D48-R85 IonicContact OD2-NH2 3.86Å; D48-R85 PolarHBondContact OD2-NH2 3.14Å; D48-R96 WeakPolarHBondContact O-CD 3.45Å; D48-R96 PolarHBondContact O-NH1 3.36Å; D48-V105 VanDerWaalsContact C-CG1 3.42Å; D48-D107 HydrophobicContact CB-CB 3.86Å
49G88.8Confident92.1Very high0 Ų051.7 Ų51.70%030%0.297CS..SBendtrans872.9173.700000114.5M45 A46 T47 R96M45-G49 WeakPolarHBondContact CG-O 3.21Å; A46-G49 PolarHBondContact O-N 2.95Å; T47-G49 VanDerWaalsContact C-N 3.32Å; G49-R96 WeakPolarHBondContact O-CB 3.34Å
50F93.4Very high92.4Very high1 Ų151.2 Ų51.20%0.00430%0.295CS..  trans-82.4145.7178-78-86.4000112.6A46 D48 K83 R85 Q94 I95 R96A46-F50 PolarHBondContact N-O 3Å; D48-F50 HydrophobicContact CB-CD2 4.41Å; D48-F50 WeakPolarHBondContact OD1-CD2 3.44Å; D48-F50 PolarHBondContact OD1-N 3.22Å; D48-F50 WeakPolarHBondContact OD2-CD2 3.26Å; F50-K83 HydrophobicContact CE1-CG 4.23Å; F50-K83 HydrophobicContact CZ-CB 4.36Å; F50-K83 HydrophobicContact CZ-CD 3.97Å; F50-K83 HydrophobicContact CZ-CG 3.89Å; F50-R85 HydrophobicContact CD1-CG 4.1Å; F50-R85 VanDerWaalsContact CD2-NH2 3.31Å; F50-R85 HydrophobicContact CE1-CB 4.36Å; F50-R85 HydrophobicContact CE1-CG 3.58Å; F50-R85 VanDerWaalsContact CZ-CD 3.49Å; F50-R85 HydrophobicContact CZ-CG 3.86Å; F50-Q94 HydrophobicContact CB-CB 4.12Å; F50-Q94 HydrophobicContact CD1-CB 3.65Å; F50-Q94 HydrophobicContact CE1-CB 4.48Å; F50-Q94 HydrophobicContact CG-CB 4.23Å; F50-I95 WeakPolarHBondContact CA-O 3.36Å; F50-I95 VanDerWaalsContact CD1-C 3.48Å; F50-R96 HydrophobicContact CD1-CB 3.79Å; F50-R96 HydrophobicContact CD1-CG 3.98Å; F50-R96 HydrophobicContact CD2-CB 4.09Å; F50-R96 HydrophobicContact CD2-CG 4.02Å; F50-R96 HydrophobicContact CE1-CB 3.98Å; F50-R96 HydrophobicContact CE1-CG 3.64Å; F50-R96 HydrophobicContact CE2-CB 4.29Å; F50-R96 HydrophobicContact CE2-CG 3.72Å; F50-R96 HydrophobicContact CG-CB 3.87Å; F50-R96 HydrophobicContact CG-CG 4.19Å; F50-R96 HydrophobicContact CZ-CB 4.24Å; F50-R96 HydrophobicContact CZ-CG 3.52Å
51L94.8Very high92.5Very high3 Ų348 Ų482%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-132.9158.3165.462.683.6000109.6V33 L34 Q44 L56 Q94 I95V33-L51 HydrophobicContact CG1-CD2 4.27Å; L34-L51 HydrophobicContact CD2-CD1 4.28Å; L34-L51 HydrophobicContact CD2-CD2 3.44Å; L34-L51 VanDerWaalsContact CD2-CD2 3.44Å; L34-L51 HydrophobicContact CD2-CG 3.71Å; Q44-L51 WeakPolarHBondContact O-CB 3.29Å; L51-L56 HydrophobicContact CD1-CB 3.71Å; L51-L56 HydrophobicContact CD1-CD1 4.32Å; L51-L56 HydrophobicContact CD1-CD2 4.47Å; L51-L56 HydrophobicContact CD1-CG 4.39Å; L51-Q94 CarbonylContact O-C 3.57Å; L51-Q94 VanDerWaalsContact O-CA 3.24Å; L51-Q94 WeakPolarHBondContact O-CA 3.44Å; L51-I95 HydrophobicContact CD1-CG2 3.75Å; L51-I95 HydrophobicContact CG-CG2 4.27Å; L51-I95 PolarHBondContact N-O 2.93Å; L51-I95 PolarHBondContact O-N 2.53Å
52F96.4Very high92.7Very high39 Ų3946.6 Ų46.617%0.17127%0.274CS..EExtended strand (participates in β ladder)trans-73.3136.9178.8-65.8-77.8000111.4E54 D55 L56 H87 R92 Q94F52-E54 VanDerWaalsContact C-N 3.25Å; F52-E54 HydrophobicContact CB-CG 3.96Å; F52-E54 PolarHBondContact O-N 3.39Å; F52-D55 HydrophobicContact CB-CB 4.39Å; F52-D55 PolarHBondContact O-N 2.83Å; F52-L56 PolarHBondContact O-N 2.78Å; F52-L56 VanDerWaalsContact O-N 3.15Å; F52-H87 HydrophobicContact CE1-CB 4.05Å; F52-R92 HydrophobicContact CD1-CB 3.86Å; F52-R92 HydrophobicContact CE1-CB 3.82Å; F52-Q94 HydrophobicContact CD1-CG 3.61Å; F52-Q94 HydrophobicContact CE1-CG 3.75Å; F52-Q94 HydrophobicContact CG-CG 4.32Å
53V96.6Very high92.7Very high4 Ų450.3 Ų50.32%0.02428%0.276CS..Hα-helixtrans-64.6-33.6-179.1175.50000111.4L56 L57 L67 V70 L84 L93 I95V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 2.97Å; V53-L57 HydrophobicContact CG1-CD1 3.86Å; V53-L57 HydrophobicContact CG1-CG 4.2Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 2.68Å; V53-L67 HydrophobicContact CG1-CD1 3.79Å; V53-V70 HydrophobicContact CG1-CG1 4.34Å; V53-V70 HydrophobicContact CG1-CG2 4.45Å; V53-L84 HydrophobicContact CG2-CD2 3.8Å; V53-L93 HydrophobicContact CB-CB 4.4Å; V53-L93 HydrophobicContact CB-CD2 4.4Å; V53-L93 HydrophobicContact CG2-CB 4.23Å; V53-L93 HydrophobicContact CG2-CD2 3.97Å; V53-L93 HydrophobicContact CG2-CG 3.97Å; V53-L93 PolarHBondContact N-O 3.22Å; V53-I95 HydrophobicContact CG2-CB 3.87Å; V53-I95 HydrophobicContact CG2-CG2 3.87Å
54E95.5Very high92.6Very high100 Ų10055 Ų5547%0.46730%0.301SS..Hα-helixtrans-62.7-42.717459.5-172.8-121.600112.6F52 L56 L57 A58 R92F52-E54 VanDerWaalsContact C-N 3.25Å; F52-E54 HydrophobicContact CB-CG 3.96Å; F52-E54 PolarHBondContact O-N 3.39Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 3.14Å; E54-L57 PolarHBondContact O-N 3.02Å; E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.18Å; E54-A58 PolarHBondContact O-N 2.92Å; E54-R92 IonicContact OE1-CZ 3.98Å; E54-R92 IonicContact OE1-NE 2.66Å; E54-R92 PolarHBondContact OE1-NE 2.71Å; E54-R92 VanDerWaalsContact OE1-NE 3.09Å; E54-R92 IonicContact OE1-NH2 3.2Å; E54-R92 PolarHBondContact OE1-NH2 3.44Å; E54-R92 IonicContact OE2-CZ 2.73Å; E54-R92 IonicContact OE2-NE 2.9Å; E54-R92 PolarHBondContact OE2-NE 3.3Å; E54-R92 IonicContact OE2-NH2 3.81Å
55D95.3Very high93Very high62 Ų6249 Ų4933%0.33227%0.271SS..Hα-helixtrans-64.3-39.1177.3-65.3-26000110.7L43 F52 H59L43-D55 HydrophobicContact CD2-CB 4.22Å; L43-D55 WeakPolarHBondContact CD2-O 3.34Å; F52-D55 HydrophobicContact CB-CB 4.39Å; F52-D55 PolarHBondContact O-N 2.83Å; D55-H59 PolarHBondContact O-N 3.31Å
56L95.8Very high93.2Very high0 Ų049.9 Ų49.90%028%0.279CS..Hα-helixtrans-61-50.1174.5-174.367.3000111.6M30 V33 L43 L51 F52 V53 E54 A58 H59 F62 I95M30-L56 HydrophobicContact CG-CD2 4.22Å; M30-L56 HydrophobicContact SD-CD2 4.33Å; V33-L56 HydrophobicContact CB-CD1 4.48Å; V33-L56 HydrophobicContact CG1-CD1 4.02Å; L43-L56 HydrophobicContact CD1-CD1 4.08Å; L51-L56 HydrophobicContact CD1-CB 3.71Å; L51-L56 HydrophobicContact CD1-CD1 4.32Å; L51-L56 HydrophobicContact CD1-CD2 4.47Å; L51-L56 HydrophobicContact CD1-CG 4.39Å; F52-L56 PolarHBondContact O-N 2.78Å; F52-L56 VanDerWaalsContact O-N 3.15Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 2.97Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 3.14Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-H59 WeakPolarHBondContact O-CB 3.32Å; L56-H59 PolarHBondContact O-N 3.17Å; L56-F62 HydrophobicContact CD1-CD2 3.8Å; L56-F62 HydrophobicContact CD1-CE1 4.25Å; L56-F62 HydrophobicContact CD1-CE2 3.42Å; L56-F62 VanDerWaalsContact CD1-CE2 3.42Å; L56-F62 HydrophobicContact CD1-CG 4.37Å; L56-F62 HydrophobicContact CD1-CZ 3.67Å; L56-F62 HydrophobicContact CG-CD1 4.42Å; L56-F62 HydrophobicContact CG-CD2 4.12Å; L56-F62 HydrophobicContact CG-CE1 4.46Å; L56-F62 HydrophobicContact CG-CE2 4.17Å; L56-F62 HydrophobicContact CG-CG 4.25Å; L56-F62 HydrophobicContact CG-CZ 4.34Å; L56-F62 WeakPolarHBondContact O-CB 3.44Å; L56-F62 VanDerWaalsContact O-CD2 3.28Å; L56-F62 WeakPolarHBondContact O-CD2 3.06Å; L56-I95 HydrophobicContact CD2-CG2 4.17Å
57L96.1Very high93.6Very high34 Ų3451 Ų5118%0.17828%0.278CS..Hα-helixtrans-72.1-27.4-176.7-69.6177.3000112.7V53 E54 H59 F62 L67 V70V53-L57 HydrophobicContact CG1-CD1 3.86Å; V53-L57 HydrophobicContact CG1-CG 4.2Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 2.68Å; E54-L57 PolarHBondContact O-N 3.02Å; L57-H59 VanDerWaalsContact C-N 3.25Å; L57-H59 PolarHBondContact O-N 2.79Å; L57-F62 HydrophobicContact CD2-CB 4.42Å; L57-L67 HydrophobicContact CD1-CB 4.33Å; L57-V70 HydrophobicContact CD2-CG2 3.92Å; L57-V70 HydrophobicContact CG-CG2 4.49Å
58A94.8Very high94Very high82 Ų8252.7 Ų52.768%0.67828%0.28SS*.Hα-helixtrans-70-2217300000112.8E54 L56E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.18Å; E54-A58 PolarHBondContact O-N 2.92Å; L56-A58 VanDerWaalsContact C-N 3.34Å
59H95.4Very high94.4Very high46 Ų4652.1 Ų52.121%0.21328%0.277CS..SBendtrans-68.5137.2179.8-173.3-84.4000111.2M41 L43 D55 L56 L57 Q61 F62 H63M41-H59 WeakPolarHBondContact CE-CE1 3.31Å; M41-H59 WeakPolarHBondContact CE-ND1 3.43Å; M41-H59 PolarHBondContact O-CD2 3Å; M41-H59 PolarHBondContact O-NE2 2.79Å; L43-H59 HydrophobicContact CD2-CB 4.46Å; D55-H59 PolarHBondContact O-N 3.31Å; L56-H59 WeakPolarHBondContact O-CB 3.32Å; L56-H59 PolarHBondContact O-N 3.17Å; L57-H59 VanDerWaalsContact C-N 3.25Å; L57-H59 PolarHBondContact O-N 2.79Å; H59-Q61 WeakPolarHBondContact ND1-CB 3.31Å; H59-Q61 PolarHBondContact ND1-N 3.14Å; H59-Q61 VanDerWaalsContact ND1-N 3.14Å; H59-Q61 PolarHBondContact O-N 2.99Å; H59-F62 HydrophobicContact CB-CD2 4.27Å; H59-F62 PolarHBondContact O-N 2.84Å; H59-H63 PolarHBondContact O-N 2.81Å
60P93.3Very high94.7Very high97 Ų9752.1 Ų52.163%0.6328%0.277SS*.THydrogen-bonded Turntrans-55.9-23.3-176.7-28.935.3000115.4F62 H63P60-F62 VanDerWaalsContact C-N 3.26Å; P60-F62 PolarHBondContact O-N 2.76Å; P60-H63 PolarHBondContact O-ND1 2.8Å
61Q91.2Very high94.7Very high82 Ų8256.2 Ų56.238%0.38330%0.296SS..THydrogen-bonded Turntrans-69-23.7174.2-174.8170.4-1300113.4M41 H59M41-Q61 HydrophobicContact CE-CB 4.12Å; H59-Q61 WeakPolarHBondContact ND1-CB 3.31Å; H59-Q61 PolarHBondContact ND1-N 3.14Å; H59-Q61 VanDerWaalsContact ND1-N 3.14Å; H59-Q61 PolarHBondContact O-N 2.99Å
62F94.6Very high94.7Very high0 Ų058.8 Ų58.80%031%0.306CS..THydrogen-bonded Turntrans-112.73.1-173.1-63.7-85.9000114.7L26 M30 V33 M41 L56 L57 H59 P60 L64 Y65L26-F62 HydrophobicContact CD1-CD1 3.75Å; L26-F62 HydrophobicContact CD1-CE1 3.87Å; M30-F62 HydrophobicContact CG-CE1 3.92Å; V33-F62 HydrophobicContact CG2-CE2 3.77Å; V33-F62 HydrophobicContact CG2-CZ 3.63Å; M41-F62 HydrophobicContact CE-CE2 3.95Å; L56-F62 HydrophobicContact CD1-CD2 3.8Å; L56-F62 HydrophobicContact CD1-CE1 4.25Å; L56-F62 HydrophobicContact CD1-CE2 3.42Å; L56-F62 VanDerWaalsContact CD1-CE2 3.42Å; L56-F62 HydrophobicContact CD1-CG 4.37Å; L56-F62 HydrophobicContact CD1-CZ 3.67Å; L56-F62 HydrophobicContact CG-CD1 4.42Å; L56-F62 HydrophobicContact CG-CD2 4.12Å; L56-F62 HydrophobicContact CG-CE1 4.46Å; L56-F62 HydrophobicContact CG-CE2 4.17Å; L56-F62 HydrophobicContact CG-CG 4.25Å; L56-F62 HydrophobicContact CG-CZ 4.34Å; L56-F62 WeakPolarHBondContact O-CB 3.44Å; L56-F62 VanDerWaalsContact O-CD2 3.28Å; L56-F62 WeakPolarHBondContact O-CD2 3.06Å; L57-F62 HydrophobicContact CD2-CB 4.42Å; H59-F62 HydrophobicContact CB-CD2 4.27Å; H59-F62 PolarHBondContact O-N 2.84Å; P60-F62 VanDerWaalsContact C-N 3.26Å; P60-F62 PolarHBondContact O-N 2.76Å; F62-L64 PolarHBondContact O-N 2.84Å; F62-Y65 HydrophobicContact CB-CD2 4.23Å; F62-Y65 HydrophobicContact CD1-CD2 4.03Å; F62-Y65 HydrophobicContact CD1-CE2 4.39Å; F62-Y65 WeakPolarHBondContact O-CD2 3.25Å; F62-Y65 PolarHBondContact O-N 3.37Å
63H90.6Very high94.5Very high132 Ų13257 Ų5761%0.61130%0.298SS*.THydrogen-bonded Turntrans-56.3-17.4-175.973.9-82000115.9H59 P60H59-H63 PolarHBondContact O-N 2.81Å; P60-H63 PolarHBondContact O-ND1 2.8Å
64L92.3Very high94.2Very high115 Ų11557.5 Ų57.560%0.60230%0.301SS*.THydrogen-bonded Turntrans-91.30178-62.1177.9000113.9K22 F62K22-L64 WeakPolarHBondContact CE-O 3.38Å; K22-L64 PolarHBondContact NZ-O 3.33Å; F62-L64 PolarHBondContact O-N 2.84Å
65Y96.1Very high93.8Very high27 Ų2756.5 Ų56.511%0.10631%0.305CS..  trans-112.8147.6-177.2-56.5-72.9000110.7K22 H25 L26 F62 D69K22-Y65 HydrophobicContact CD-CE1 4.25Å; K22-Y65 HydrophobicContact CG-CD1 4.34Å; K22-Y65 HydrophobicContact CG-CE1 3.66Å; H25-Y65 PolarHBondContact ND1-OH 2.91Å; L26-Y65 HydrophobicContact CB-CD1 4.04Å; L26-Y65 HydrophobicContact CB-CE1 3.64Å; L26-Y65 HydrophobicContact CD1-CD1 4.05Å; L26-Y65 HydrophobicContact CD1-CD2 3.75Å; L26-Y65 HydrophobicContact CD1-CE1 4.25Å; L26-Y65 HydrophobicContact CD1-CE2 3.99Å; L26-Y65 HydrophobicContact CD1-CG 3.78Å; L26-Y65 HydrophobicContact CD2-CD1 3.72Å; L26-Y65 HydrophobicContact CD2-CE1 4.23Å; L26-Y65 HydrophobicContact CD2-CG 4.03Å; L26-Y65 HydrophobicContact CG-CD1 4.15Å; L26-Y65 HydrophobicContact CG-CE1 4.24Å; L26-Y65 HydrophobicContact CG-CG 4.36Å; F62-Y65 HydrophobicContact CB-CD2 4.23Å; F62-Y65 HydrophobicContact CD1-CD2 4.03Å; F62-Y65 HydrophobicContact CD1-CE2 4.39Å; F62-Y65 WeakPolarHBondContact O-CD2 3.25Å; F62-Y65 PolarHBondContact O-N 3.37Å; Y65-D69 WeakPolarHBondContact CA-OD2 3.41Å; Y65-D69 HydrophobicContact CD1-CB 4.37Å
66T96.1Very high93.2Very high63 Ų6357.3 Ų57.339%0.38731%0.313SS..  trans-104.9174.5174.970.90000111.1E68 D69 V70T66-E68 VanDerWaalsContact C-N 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.32Å; T66-E68 PolarHBondContact O-N 3.44Å; T66-E68 PolarHBondContact OG1-N 3.09Å; T66-E68 PolarHBondContact OG1-OE2 3.46Å; T66-D69 PolarHBondContact N-OD2 3.47Å; T66-D69 WeakPolarHBondContact O-CB 3.38Å; T66-D69 PolarHBondContact O-N 2.87Å; T66-D69 PolarHBondContact OG1-N 2.82Å; T66-V70 PolarHBondContact O-N 2.89Å
67L95.8Very high92.2Very high69 Ų6957.7 Ų57.736%0.36132%0.315SS..Hα-helixtrans-59.9-41.7170.1174.658.7000111.1V53 L57 D69 V70 E71 L93V53-L67 HydrophobicContact CG1-CD1 3.79Å; L57-L67 HydrophobicContact CD1-CB 4.33Å; L67-D69 VanDerWaalsContact C-N 3.26Å; L67-D69 PolarHBondContact O-N 2.86Å; L67-V70 WeakPolarHBondContact O-CB 3.18Å; L67-V70 PolarHBondContact O-N 2.87Å; L67-E71 HydrophobicContact CD1-CG 4.11Å; L67-E71 HydrophobicContact CG-CG 4.39Å; L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.85Å; L67-L93 HydrophobicContact CD1-CD2 3.48Å; L67-L93 VanDerWaalsContact CD1-CD2 3.48Å
68E95.2Very high90.7Very high123 Ų12362.1 Ų62.158%0.57534%0.339SS*.Hα-helixtrans-62.5-35.4178.1-56.788178.500111.6T66 V70 R72T66-E68 VanDerWaalsContact C-N 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.32Å; T66-E68 PolarHBondContact O-N 3.44Å; T66-E68 PolarHBondContact OG1-N 3.09Å; T66-E68 PolarHBondContact OG1-OE2 3.46Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 2.8Å; E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 PolarHBondContact O-N 2.72Å
69D94.8Very high89.4Confident16 Ų1660.9 Ų60.99%0.08632%0.318CS..Hα-helixtrans-61.2-42.6173.2-76.8-29.9000111.4K22 L26 Y65 T66 L67 R72 V73K22-D69 IonicContact NZ-OD2 3.39Å; K22-D69 PolarHBondContact NZ-OD2 3.34Å; L26-D69 HydrophobicContact CD2-CB 3.81Å; Y65-D69 WeakPolarHBondContact CA-OD2 3.41Å; Y65-D69 HydrophobicContact CD1-CB 4.37Å; T66-D69 PolarHBondContact N-OD2 3.47Å; T66-D69 WeakPolarHBondContact O-CB 3.38Å; T66-D69 PolarHBondContact O-N 2.87Å; T66-D69 PolarHBondContact OG1-N 2.82Å; L67-D69 VanDerWaalsContact C-N 3.26Å; L67-D69 PolarHBondContact O-N 2.86Å; D69-R72 IonicContact OD1-CZ 2.96Å; D69-R72 IonicContact OD1-NH2 2.61Å; D69-R72 PolarHBondContact OD1-NH2 2.75Å; D69-V73 WeakPolarHBondContact O-CB 3.48Å; D69-V73 WeakPolarHBondContact O-CG2 3.37Å; D69-V73 PolarHBondContact O-N 3.19Å
70V95.1Very high88.6Confident0 Ų063.4 Ų63.40%033%0.33CS..Hα-helixtrans-64.6-51.5177.4174.70000110.6L26 M30 V53 L57 T66 L67 E68 R72 V73 V74 L84 I95L26-V70 HydrophobicContact CD2-CG2 4.41Å; M30-V70 HydrophobicContact SD-CG1 4.16Å; M30-V70 HydrophobicContact SD-CG2 4.27Å; V53-V70 HydrophobicContact CG1-CG1 4.34Å; V53-V70 HydrophobicContact CG1-CG2 4.45Å; L57-V70 HydrophobicContact CD2-CG2 3.92Å; L57-V70 HydrophobicContact CG-CG2 4.49Å; T66-V70 PolarHBondContact O-N 2.89Å; L67-V70 WeakPolarHBondContact O-CB 3.18Å; L67-V70 PolarHBondContact O-N 2.87Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 2.8Å; V70-R72 VanDerWaalsContact C-N 3.29Å; V70-R72 PolarHBondContact O-N 2.84Å; V70-V73 PolarHBondContact O-N 2.9Å; V70-V74 HydrophobicContact CG1-CG2 4.26Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.49Å; V70-V74 PolarHBondContact O-N 2.66Å; V70-L84 HydrophobicContact CG1-CD2 4.41Å; V70-I95 HydrophobicContact CG1-CD1 3.87Å
71E94.1Very high88.2Confident87 Ų8761.1 Ų61.141%0.40731%0.309SS..Hα-helixtrans-58.9-41.1179.2-68.6178.3150.900112L67 V74 S75 L84L67-E71 HydrophobicContact CD1-CG 4.11Å; L67-E71 HydrophobicContact CG-CG 4.39Å; L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.85Å; E71-V74 PolarHBondContact O-N 2.92Å; E71-S75 WeakPolarHBondContact O-CB 3.5Å; E71-S75 PolarHBondContact O-N 3.21Å; E71-S75 PolarHBondContact O-OG 3.22Å; E71-L84 HydrophobicContact CG-CD1 4.1Å
72R92.8Very high88.2Confident57 Ų5757.4 Ų57.422%0.21529%0.292CS..Hα-helixtrans-63.9-45.2175.9-171.7163.459.174.412.1111.4E19 D23 E68 D69 V70 V74 S75 T76E19-R72 IonicContact OE1-CZ 3.11Å; E19-R72 IonicContact OE1-NE 3.88Å; E19-R72 IonicContact OE1-NH1 3.2Å; E19-R72 PolarHBondContact OE1-NH1 3.12Å; E19-R72 IonicContact OE1-NH2 3.33Å; D23-R72 IonicContact OD1-CZ 2.72Å; D23-R72 IonicContact OD1-NH1 3.73Å; D23-R72 PolarHBondContact OD1-NH1 2.69Å; D23-R72 IonicContact OD1-NH2 2.82Å; D23-R72 PolarHBondContact OD1-NH2 2.73Å; D23-R72 IonicContact OD2-CZ 3.98Å; D23-R72 IonicContact OD2-NH1 3.68Å; D23-R72 PolarHBondContact OD2-NH1 2.82Å; D23-R72 IonicContact OD2-NH2 3.23Å; E68-R72 WeakPolarHBondContact O-CB 3.43Å; E68-R72 PolarHBondContact O-N 2.72Å; D69-R72 IonicContact OD1-CZ 2.96Å; D69-R72 IonicContact OD1-NH2 2.61Å; D69-R72 PolarHBondContact OD1-NH2 2.75Å; V70-R72 VanDerWaalsContact C-N 3.29Å; V70-R72 PolarHBondContact O-N 2.84Å; R72-V74 VanDerWaalsContact C-N 3.35Å; R72-V74 PolarHBondContact O-N 3.24Å; R72-S75 WeakPolarHBondContact CA-OG 3.23Å; R72-S75 PolarHBondContact O-N 3.11Å; R72-S75 PolarHBondContact O-OG 3.26Å; R72-T76 HydrophobicContact CG-CG2 4.47Å; R72-T76 WeakPolarHBondContact O-CB 3.31Å; R72-T76 VanDerWaalsContact O-CG2 3.28Å; R72-T76 WeakPolarHBondContact O-CG2 3.24Å; R72-T76 PolarHBondContact O-N 2.95Å; R72-T76 PolarHBondContact O-OG1 3.14Å
73V92.6Very high88Confident2 Ų259.5 Ų59.51%0.01230%0.301CS..Hα-helixtrans-66.7-36176.2170.70000112.2D23 L26 M30 D69 V70 S77 F82D23-V73 HydrophobicContact CB-CG2 3.77Å; L26-V73 HydrophobicContact CB-CG2 4.19Å; L26-V73 HydrophobicContact CD2-CB 4.35Å; L26-V73 HydrophobicContact CD2-CG2 3.79Å; L26-V73 HydrophobicContact CG-CG2 4.13Å; M30-V73 HydrophobicContact CE-CB 3.94Å; M30-V73 HydrophobicContact CE-CG1 3.32Å; D69-V73 WeakPolarHBondContact O-CB 3.48Å; D69-V73 WeakPolarHBondContact O-CG2 3.37Å; D69-V73 PolarHBondContact O-N 3.19Å; V70-V73 PolarHBondContact O-N 2.9Å; V73-S77 VanDerWaalsContact O-CB 3.3Å; V73-S77 WeakPolarHBondContact O-CB 3.26Å; V73-S77 PolarHBondContact O-N 3.44Å; V73-S77 VanDerWaalsContact O-N 3.12Å; V73-F82 HydrophobicContact CG1-CE2 4.07Å
74V91.4Very high88.2Confident14 Ų1455.4 Ų55.49%0.08528%0.283CS..Hα-helixtrans-66-48.1177173.70000110.4V70 E71 R72 F82 L84 I95V70-V74 HydrophobicContact CG1-CG2 4.26Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.49Å; V70-V74 PolarHBondContact O-N 2.66Å; E71-V74 PolarHBondContact O-N 2.92Å; R72-V74 VanDerWaalsContact C-N 3.35Å; R72-V74 PolarHBondContact O-N 3.24Å; V74-F82 HydrophobicContact CG1-CB 4.27Å; V74-F82 HydrophobicContact CG2-CB 3.85Å; V74-F82 HydrophobicContact CG2-CD2 4.16Å; V74-F82 HydrophobicContact CG2-CG 4.34Å; V74-L84 HydrophobicContact CB-CD1 3.81Å; V74-L84 HydrophobicContact CB-CG 4.29Å; V74-L84 HydrophobicContact CG1-CD1 3.88Å; V74-L84 HydrophobicContact CG1-CG 4.02Å; V74-L84 HydrophobicContact CG2-CD1 3.73Å; V74-L84 HydrophobicContact CG2-CG 3.91Å; V74-I95 HydrophobicContact CG2-CD1 3.89Å
75S86.9Confident88.3Confident79 Ų7952.9 Ų52.955%0.55227%0.265SS*.Hα-helixtrans-67.8-37.6-179.457.20000113.6E71 R72E71-S75 WeakPolarHBondContact O-CB 3.5Å; E71-S75 PolarHBondContact O-N 3.21Å; E71-S75 PolarHBondContact O-OG 3.22Å; R72-S75 WeakPolarHBondContact CA-OG 3.23Å; R72-S75 PolarHBondContact O-N 3.11Å; R72-S75 PolarHBondContact O-OG 3.26Å
76T83.4Confident88.2Confident79 Ų7955.3 Ų55.349%0.48529%0.287SS..Hα-helixtrans-89.8-3.2-177.360.80000114.1R72 D78R72-T76 HydrophobicContact CG-CG2 4.47Å; R72-T76 WeakPolarHBondContact O-CB 3.31Å; R72-T76 VanDerWaalsContact O-CG2 3.28Å; R72-T76 WeakPolarHBondContact O-CG2 3.24Å; R72-T76 PolarHBondContact O-N 2.95Å; R72-T76 PolarHBondContact O-OG1 3.14Å; T76-D78 PolarHBondContact O-N 2.98Å
77S73.5Confident88.1Confident7 Ų754.3 Ų54.35%0.04928%0.277CS..  trans-61.7112.8-177.4-165.40000111V73 K79 Q80 R81V73-S77 VanDerWaalsContact O-CB 3.3Å; V73-S77 WeakPolarHBondContact O-CB 3.26Å; V73-S77 PolarHBondContact O-N 3.44Å; V73-S77 VanDerWaalsContact O-N 3.12Å; S77-K79 PolarHBondContact O-N 2.61Å; S77-Q80 PolarHBondContact O-N 2.85Å; S77-Q80 PolarHBondContact O-NE2 2.96Å; S77-R81 WeakPolarHBondContact OG-CG 3.27Å; S77-R81 PolarHBondContact OG-N 3.11Å; S77-R81 PolarHBondContact OG-NH1 3.49Å
78D64.6Low87.7Confident127 Ų12756.3 Ų56.368%0.67929%0.294SS*.THydrogen-bonded Turntrans-43.9-23.7177.7-67.9-23.3000115.6T76T76-D78 PolarHBondContact O-N 2.98Å
79K67.6Low87.4Confident57 Ų5758.9 Ų58.925%0.24831%0.306CS..THydrogen-bonded Turntrans-123.914.3-172.9-58.9-170.9172.5-169.50113.3S77 R81 G164 M165 N192S77-K79 PolarHBondContact O-N 2.61Å; K79-R81 HydrophobicContact CB-CG 3.84Å; K79-R81 PolarHBondContact O-N 3.33Å; K79-G164 PolarHBondContact NZ-O 2.93Å; K79-M165 PolarHBondContact NZ-O 3.12Å; K79-N192 PolarHBondContact O-ND2 2.95Å
80Q78.8Confident87.3Confident99 Ų9961.9 Ų61.946%0.46332%0.322SS..  trans42.855.8-175.2-66.6-64.8-57.200110.3S77 F82 N98 N192S77-Q80 PolarHBondContact O-N 2.85Å; S77-Q80 PolarHBondContact O-NE2 2.96Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 3.44Å; Q80-N98 PolarHBondContact O-ND2 2.98Å; Q80-N192 HydrophobicContact CB-CB 4.15Å; Q80-N192 PolarHBondContact O-ND2 3.12Å
81R84.6Confident87.2Confident49 Ų4964 Ų6419%0.18534%0.344CS..  trans-73.2-21.5-165.6-67.4178.8179.681.5-5.7113.3S77 K79 A97 N98S77-R81 WeakPolarHBondContact OG-CG 3.27Å; S77-R81 PolarHBondContact OG-N 3.11Å; S77-R81 PolarHBondContact OG-NH1 3.49Å; K79-R81 HydrophobicContact CB-CG 3.84Å; K79-R81 PolarHBondContact O-N 3.33Å; R81-A97 WeakPolarHBondContact O-CA 3.32Å; R81-N98 PolarHBondContact O-N 3.13Å
82F91.3Very high87.2Confident4 Ų463.4 Ų63.42%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-127.8153.1-168-49.7-65.4000109.3S27 M30 S31 L34 V73 V74 Q80 I95 R96 N98S27-F82 WeakPolarHBondContact O-CZ 3.19Å; M30-F82 HydrophobicContact CB-CE1 3.93Å; M30-F82 HydrophobicContact CB-CZ 3.94Å; M30-F82 HydrophobicContact CE-CD2 3.99Å; M30-F82 HydrophobicContact CE-CE1 4.49Å; M30-F82 HydrophobicContact CE-CE2 3.6Å; M30-F82 HydrophobicContact CE-CZ 3.88Å; S31-F82 WeakPolarHBondContact OG-CZ 3.39Å; L34-F82 HydrophobicContact CD1-CD1 3.66Å; L34-F82 HydrophobicContact CD1-CE1 3.92Å; V73-F82 HydrophobicContact CG1-CE2 4.07Å; V74-F82 HydrophobicContact CG1-CB 4.27Å; V74-F82 HydrophobicContact CG2-CB 3.85Å; V74-F82 HydrophobicContact CG2-CD2 4.16Å; V74-F82 HydrophobicContact CG2-CG 4.34Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 3.44Å; F82-I95 HydrophobicContact CB-CD1 4.26Å; F82-I95 HydrophobicContact CB-CG1 4.35Å; F82-I95 HydrophobicContact CG-CD1 4.48Å; F82-R96 CarbonylContact C-O 3.48Å; F82-R96 VanDerWaalsContact CA-O 3.22Å; F82-R96 WeakPolarHBondContact CA-O 3.48Å; F82-N98 PolarHBondContact O-ND2 2.99Å
83K91.3Very high87.4Confident44 Ų4462.8 Ų62.819%0.19134%0.339CS..EExtended strand (participates in β ladder)trans-121128.7169.3174.9166.1177.6173.10108.4F50 I95 R96 N98 E109 E191F50-K83 HydrophobicContact CE1-CG 4.23Å; F50-K83 HydrophobicContact CZ-CB 4.36Å; F50-K83 HydrophobicContact CZ-CD 3.97Å; F50-K83 HydrophobicContact CZ-CG 3.89Å; K83-I95 WeakPolarHBondContact O-CA 3.3Å; K83-R96 HydrophobicContact CB-CG 4.13Å; K83-R96 PolarHBondContact N-O 3.41Å; K83-R96 PolarHBondContact O-N 3.27Å; K83-N98 VanDerWaalsContact CB-OD1 3.29Å; K83-N98 WeakPolarHBondContact CB-OD1 3.44Å; K83-E109 IonicContact NZ-OE2 3.11Å; K83-E109 PolarHBondContact NZ-OE2 2.72Å; K83-E191 WeakPolarHBondContact CD-OE1 3.5Å; K83-E191 WeakPolarHBondContact CD-OE2 3.3Å; K83-E191 VanDerWaalsContact CE-OE1 3.3Å; K83-E191 WeakPolarHBondContact CE-OE1 3.35Å; K83-E191 IonicContact NZ-OE1 3.94Å; K83-E191 PolarHBondContact NZ-OE1 3.17Å; K83-E191 IonicContact NZ-OE2 3.75Å; K83-E191 PolarHBondContact NZ-OE2 2.86Å
84L93.8Very high87.6Confident46 Ų4663 Ų6324%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-100.4138.9166.8-75.5170.4000108.6V53 V70 E71 V74 L93 Q94 I95V53-L84 HydrophobicContact CG2-CD2 3.8Å; V70-L84 HydrophobicContact CG1-CD2 4.41Å; E71-L84 HydrophobicContact CG-CD1 4.1Å; V74-L84 HydrophobicContact CB-CD1 3.81Å; V74-L84 HydrophobicContact CB-CG 4.29Å; V74-L84 HydrophobicContact CG1-CD1 3.88Å; V74-L84 HydrophobicContact CG1-CG 4.02Å; V74-L84 HydrophobicContact CG2-CD1 3.73Å; V74-L84 HydrophobicContact CG2-CG 3.91Å; L84-L93 HydrophobicContact CB-CD1 4.49Å; L84-L93 HydrophobicContact CD2-CD2 3.91Å; L84-L93 HydrophobicContact CD2-CG 4.02Å; L84-Q94 WeakPolarHBondContact CA-O 3.33Å; L84-I95 HydrophobicContact CD2-CB 3.71Å; L84-I95 HydrophobicContact CD2-CD1 4.1Å; L84-I95 HydrophobicContact CD2-CG1 3.94Å
85R93.8Very high87.8Confident61 Ų6162.4 Ų62.423%0.2334%0.336CS..EExtended strand (participates in β ladder)trans-145.5154.117073.6177.3-174.1-161.5-4.6110.2D48 F50 Q94D48-R85 IonicContact OD1-NH2 2.77Å; D48-R85 IonicContact OD2-CZ 2.79Å; D48-R85 IonicContact OD2-NH1 2.69Å; D48-R85 PolarHBondContact OD2-NH1 2.94Å; D48-R85 IonicContact OD2-NH2 3.86Å; D48-R85 PolarHBondContact OD2-NH2 3.14Å; F50-R85 HydrophobicContact CD1-CG 4.1Å; F50-R85 VanDerWaalsContact CD2-NH2 3.31Å; F50-R85 HydrophobicContact CE1-CB 4.36Å; F50-R85 HydrophobicContact CE1-CG 3.58Å; F50-R85 VanDerWaalsContact CZ-CD 3.49Å; F50-R85 HydrophobicContact CZ-CG 3.86Å; R85-Q94 HydrophobicContact CG-CB 4.25Å; R85-Q94 PolarHBondContact N-O 3.45Å; R85-Q94 VanDerWaalsContact NE-OE1 3.11Å; R85-Q94 PolarHBondContact O-N 2.94Å
86S95.1Very high88.1Confident79 Ų7958.8 Ų58.855%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-74.2135.2160.9-61.80000109.1
87H93.3Very high88.5Confident41 Ų4155 Ų5519%0.1929%0.287CS..  trans-63.6135.4174.1-179.2-106.4000109.4F52 E89 D90 G91 R92 Q94F52-H87 HydrophobicContact CE1-CB 4.05Å; H87-E89 VanDerWaalsContact C-N 3.25Å; H87-E89 PolarHBondContact O-N 3.41Å; H87-E89 VanDerWaalsContact O-N 3.16Å; H87-D90 VanDerWaalsContact CB-OD1 3.24Å; H87-D90 WeakPolarHBondContact CB-OD1 3.4Å; H87-D90 IonicContact CE1-OD1 3.89Å; H87-D90 IonicContact CG-OD1 3.71Å; H87-D90 IonicContact ND1-OD1 2.82Å; H87-D90 PolarHBondContact ND1-OD1 3.26Å; H87-D90 IonicContact ND1-OD2 2.69Å; H87-G91 WeakPolarHBondContact O-CA 3.08Å; H87-G91 PolarHBondContact O-N 3.17Å; H87-R92 VanDerWaalsContact CB-O 3.25Å; H87-R92 WeakPolarHBondContact CB-O 3.33Å; H87-R92 PolarHBondContact N-O 3.42Å; H87-Q94 HydrophobicContact CB-CG 4.08Å; H87-Q94 PolarHBondContact CD2-NE2 3.47Å; H87-Q94 PolarHBondContact CD2-OE1 2.75Å
88P88.2Confident89.1Confident111 Ų11155.1 Ų55.172%0.72129%0.287SS*.THydrogen-bonded Turntrans-61.7-26.8-168.4-26.435.5000115.6
89E89.3Confident89.8Confident177 Ų17750.2 Ų50.283%0.82726%0.26SS*.THydrogen-bonded Turntrans-97.2-44.6-172.4-61.3-175.1167.600113.6H87H87-E89 VanDerWaalsContact C-N 3.25Å; H87-E89 PolarHBondContact O-N 3.41Å; H87-E89 VanDerWaalsContact O-N 3.16Å
90D91.8Very high90.4Very high79 Ų7947.6 Ų47.642%0.42225%0.25SC..THydrogen-bonded Turntrans-113.9-2.6-171.965.41.6000113.2H87 R92H87-D90 VanDerWaalsContact CB-OD1 3.24Å; H87-D90 WeakPolarHBondContact CB-OD1 3.4Å; H87-D90 IonicContact CE1-OD1 3.89Å; H87-D90 IonicContact CG-OD1 3.71Å; H87-D90 IonicContact ND1-OD1 2.82Å; H87-D90 PolarHBondContact ND1-OD1 3.26Å; H87-D90 IonicContact ND1-OD2 2.69Å; D90-R92 PolarHBondContact O-N 3.13Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 PolarHBondContact OD1-N 3.35Å; D90-R92 VanDerWaalsContact OD1-N 3.15Å; D90-R92 WeakPolarHBondContact OD2-CD 3.46Å; D90-R92 IonicContact OD2-NH1 2.84Å; D90-R92 PolarHBondContact OD2-NH1 3.48Å
91G92.9Very high90.5Very high44 Ų4443 Ų4345%0.45423%0.228SC..  trans72-1.4178.600000115H87H87-G91 WeakPolarHBondContact O-CA 3.08Å; H87-G91 PolarHBondContact O-N 3.17Å
92R94.8Very high90.2Very high76 Ų7643 Ų4329%0.28724%0.235SC..  trans-64.5142.6-178.3-78.3171.255.9-129.24.9110.9F52 E54 H87 D90 Q94F52-R92 HydrophobicContact CD1-CB 3.86Å; F52-R92 HydrophobicContact CE1-CB 3.82Å; E54-R92 IonicContact OE1-CZ 3.98Å; E54-R92 IonicContact OE1-NE 2.66Å; E54-R92 PolarHBondContact OE1-NE 2.71Å; E54-R92 VanDerWaalsContact OE1-NE 3.09Å; E54-R92 IonicContact OE1-NH2 3.2Å; E54-R92 PolarHBondContact OE1-NH2 3.44Å; E54-R92 IonicContact OE2-CZ 2.73Å; E54-R92 IonicContact OE2-NE 2.9Å; E54-R92 PolarHBondContact OE2-NE 3.3Å; E54-R92 IonicContact OE2-NH2 3.81Å; H87-R92 VanDerWaalsContact CB-O 3.25Å; H87-R92 WeakPolarHBondContact CB-O 3.33Å; H87-R92 PolarHBondContact N-O 3.42Å; D90-R92 PolarHBondContact O-N 3.13Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 PolarHBondContact OD1-N 3.35Å; D90-R92 VanDerWaalsContact OD1-N 3.15Å; D90-R92 WeakPolarHBondContact OD2-CD 3.46Å; D90-R92 IonicContact OD2-NH1 2.84Å; D90-R92 PolarHBondContact OD2-NH1 3.48Å; R92-Q94 PolarHBondContact O-N 3.1Å
93L96.8Very high89.4Confident44 Ų4444.8 Ų44.823%0.2325%0.245CC..EExtended strand (participates in β ladder)trans-75.3130.9-173.8-162.671000111V53 L67 L84V53-L93 HydrophobicContact CB-CB 4.4Å; V53-L93 HydrophobicContact CB-CD2 4.4Å; V53-L93 HydrophobicContact CG2-CB 4.23Å; V53-L93 HydrophobicContact CG2-CD2 3.97Å; V53-L93 HydrophobicContact CG2-CG 3.97Å; V53-L93 PolarHBondContact N-O 3.22Å; L67-L93 HydrophobicContact CD1-CD2 3.48Å; L67-L93 VanDerWaalsContact CD1-CD2 3.48Å; L84-L93 HydrophobicContact CB-CD1 4.49Å; L84-L93 HydrophobicContact CD2-CD2 3.91Å; L84-L93 HydrophobicContact CD2-CG 4.02Å
94Q96.8Very high88.3Confident7 Ų750.8 Ų50.83%0.03327%0.274CS..EExtended strand (participates in β ladder)trans-120147.7176.7-67.1-174.1-37.900111.2F50 L51 F52 L84 R85 H87 R92F50-Q94 HydrophobicContact CB-CB 4.12Å; F50-Q94 HydrophobicContact CD1-CB 3.65Å; F50-Q94 HydrophobicContact CE1-CB 4.48Å; F50-Q94 HydrophobicContact CG-CB 4.23Å; L51-Q94 CarbonylContact O-C 3.57Å; L51-Q94 VanDerWaalsContact O-CA 3.24Å; L51-Q94 WeakPolarHBondContact O-CA 3.44Å; F52-Q94 HydrophobicContact CD1-CG 3.61Å; F52-Q94 HydrophobicContact CE1-CG 3.75Å; F52-Q94 HydrophobicContact CG-CG 4.32Å; L84-Q94 WeakPolarHBondContact CA-O 3.33Å; R85-Q94 HydrophobicContact CG-CB 4.25Å; R85-Q94 PolarHBondContact N-O 3.45Å; R85-Q94 VanDerWaalsContact NE-OE1 3.11Å; R85-Q94 PolarHBondContact O-N 2.94Å; H87-Q94 HydrophobicContact CB-CG 4.08Å; H87-Q94 PolarHBondContact CD2-NE2 3.47Å; H87-Q94 PolarHBondContact CD2-OE1 2.75Å; R92-Q94 PolarHBondContact O-N 3.1Å
95I95.7Very high87.3Confident0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-127.2141.4176.4-168.6170.3000111.3M30 L34 F50 L51 V53 L56 V70 V74 F82 K83 L84M30-I95 HydrophobicContact SD-CD1 4.01Å; L34-I95 HydrophobicContact CD1-CD1 4.12Å; L34-I95 HydrophobicContact CD1-CG1 3.98Å; L34-I95 HydrophobicContact CD1-CG2 4.47Å; L34-I95 HydrophobicContact CD2-CG2 4.07Å; F50-I95 WeakPolarHBondContact CA-O 3.36Å; F50-I95 VanDerWaalsContact CD1-C 3.48Å; L51-I95 HydrophobicContact CD1-CG2 3.75Å; L51-I95 HydrophobicContact CG-CG2 4.27Å; L51-I95 PolarHBondContact N-O 2.93Å; L51-I95 PolarHBondContact O-N 2.53Å; V53-I95 HydrophobicContact CG2-CB 3.87Å; V53-I95 HydrophobicContact CG2-CG2 3.87Å; L56-I95 HydrophobicContact CD2-CG2 4.17Å; V70-I95 HydrophobicContact CG1-CD1 3.87Å; V74-I95 HydrophobicContact CG2-CD1 3.89Å; F82-I95 HydrophobicContact CB-CD1 4.26Å; F82-I95 HydrophobicContact CB-CG1 4.35Å; F82-I95 HydrophobicContact CG-CD1 4.48Å; K83-I95 WeakPolarHBondContact O-CA 3.3Å; L84-I95 HydrophobicContact CD2-CB 3.71Å; L84-I95 HydrophobicContact CD2-CD1 4.1Å; L84-I95 HydrophobicContact CD2-CG1 3.94Å
96R93.1Very high85.8Confident3 Ų353.4 Ų53.41%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-135.6165.6166.674.5167.8179.6-162-3111.9D48 G49 F50 F82 K83 E109 E191D48-R96 WeakPolarHBondContact O-CD 3.45Å; D48-R96 PolarHBondContact O-NH1 3.36Å; G49-R96 WeakPolarHBondContact O-CB 3.34Å; F50-R96 HydrophobicContact CD1-CB 3.79Å; F50-R96 HydrophobicContact CD1-CG 3.98Å; F50-R96 HydrophobicContact CD2-CB 4.09Å; F50-R96 HydrophobicContact CD2-CG 4.02Å; F50-R96 HydrophobicContact CE1-CB 3.98Å; F50-R96 HydrophobicContact CE1-CG 3.64Å; F50-R96 HydrophobicContact CE2-CB 4.29Å; F50-R96 HydrophobicContact CE2-CG 3.72Å; F50-R96 HydrophobicContact CG-CB 3.87Å; F50-R96 HydrophobicContact CG-CG 4.19Å; F50-R96 HydrophobicContact CZ-CB 4.24Å; F50-R96 HydrophobicContact CZ-CG 3.52Å; F82-R96 CarbonylContact C-O 3.48Å; F82-R96 VanDerWaalsContact CA-O 3.22Å; F82-R96 WeakPolarHBondContact CA-O 3.48Å; K83-R96 HydrophobicContact CB-CG 4.13Å; K83-R96 PolarHBondContact N-O 3.41Å; K83-R96 PolarHBondContact O-N 3.27Å; R96-E109 IonicContact CZ-OE2 3.78Å; R96-E109 IonicContact NH1-OE2 3.64Å; R96-E109 IonicContact NH2-OE2 3.56Å; R96-E109 PolarHBondContact NH2-OE2 2.96Å; R96-E191 IonicContact NH2-OE2 3.66Å; R96-E191 PolarHBondContact NH2-OE2 3.01Å; R96-E191 VanDerWaalsContact NH2-OE2 3.11Å
97A90.9Very high84.3Confident0 Ų053.9 Ų53.90%029%0.287CS..EExtended strand (participates in β ladder)trans-84.2143.6162.400000110.6L34 R35 R81 Q99 H101L34-A97 HydrophobicContact CB-CB 3.84Å; R35-A97 HydrophobicContact CG-CB 3.84Å; R81-A97 WeakPolarHBondContact O-CA 3.32Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 3.29Å; A97-H101 PolarHBondContact O-CE1 3Å; A97-H101 PolarHBondContact O-NE2 3.27Å
98N85.9Confident83.3Confident10 Ų1053.1 Ų53.15%0.05328%0.284CS..SBendtrans-76.9-20.8-179.9-71.2-21.2000113.4Q80 R81 F82 K83 N192Q80-N98 PolarHBondContact O-ND2 2.98Å; R81-N98 PolarHBondContact O-N 3.13Å; F82-N98 PolarHBondContact O-ND2 2.99Å; K83-N98 VanDerWaalsContact CB-OD1 3.29Å; K83-N98 WeakPolarHBondContact CB-OD1 3.44Å; N98-N192 HydrophobicContact CB-CB 4.43Å
99Q80.4Confident82.8Confident24 Ų2452.8 Ų52.811%0.11227%0.273CS..SBendtrans-162.2174.3-178.550.272.1-4.900110.5R35 A97R35-Q99 PolarHBondContact NE-O 3.3Å; R35-Q99 PolarHBondContact NH2-O 2.97Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 3.29Å
100G80.5Confident82.6Confident2 Ų246.2 Ų46.22%0.02124%0.243CC..  trans91.312162.800000114.3R35 H36R35-G100 WeakPolarHBondContact CD-O 3.34Å; H36-G100 PolarHBondContact CE1-O 2.89Å
101H81.6Confident82.6Confident2 Ų248.2 Ų48.21%0.00925%0.248CC..  trans-61.5136.6177.1-51.497.7000111.2L34 R35 A97 L103 V105 T147L34-H101 PolarHBondContact O-CD2 3.33Å; L34-H101 PolarHBondContact O-NE2 3.49Å; R35-H101 WeakPolarHBondContact O-CA 3.39Å; A97-H101 PolarHBondContact O-CE1 3Å; A97-H101 PolarHBondContact O-NE2 3.27Å; H101-L103 WeakPolarHBondContact CB-O 3.35Å; H101-V105 HydrophobicContact CB-CG2 4.11Å; H101-T147 PolarHBondContact O-N 3.15Å; H101-T147 VanDerWaalsContact O-N 3.13Å; H101-T147 PolarHBondContact O-OG1 2.93Å
102S76.9Confident82.7Confident48 Ų4849.5 Ų49.534%0.33625%0.248SC..SBendtrans-94.8-22.1156.664.60000111.4R35 H36 N145R35-S102 PolarHBondContact O-N 3.31Å; R35-S102 PolarHBondContact O-OG 2.87Å; H36-S102 VanDerWaalsContact ND1-CB 3.32Å; H36-S102 WeakPolarHBondContact ND1-CB 3.36Å; H36-S102 PolarHBondContact ND1-OG 3.47Å; S102-N145 WeakPolarHBondContact CA-O 3.28Å; S102-N145 WeakPolarHBondContact CB-O 3.39Å
103L74.6Confident82.7Confident42 Ų4246.2 Ų46.222%0.2224%0.236CC..SBendtrans-72.3142.7170.1-59174.6000109R35 A38 M45 H101 V105R35-L103 PolarHBondContact O-N 3.28Å; A38-L103 HydrophobicContact CB-CD1 4.44Å; M45-L103 HydrophobicContact CE-CB 4.18Å; M45-L103 HydrophobicContact CE-CD1 3.65Å; H101-L103 WeakPolarHBondContact CB-O 3.35Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-V105 VanDerWaalsContact O-N 3.14Å
104Q67.9Low82.6Confident171 Ų17149.5 Ų49.580%0.79925%0.254SS*.  trans-73.2107.7174.3-170.3167.42.700108.4
105V72.9Confident82.3Confident21 Ų2153 Ų5313%0.12728%0.284CS..  trans-99.6110.6170.9-179.50000105.7M45 T47 D48 H101 L103 L108M45-V105 HydrophobicContact CE-CG2 4.3Å; T47-V105 CarbonylContact O-C 3.54Å; T47-V105 VanDerWaalsContact O-CG1 3.27Å; T47-V105 WeakPolarHBondContact O-CG1 3.37Å; D48-V105 VanDerWaalsContact C-CG1 3.42Å; H101-V105 HydrophobicContact CB-CG2 4.11Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-V105 VanDerWaalsContact O-N 3.14Å; V105-L108 HydrophobicContact CG1-CB 4.06Å; V105-L108 HydrophobicContact CG1-CD1 4.41Å
106M61.7Low81.8Confident141 Ų14156.9 Ų56.970%0.69532%0.324SS*.THydrogen-bonded Turntrans-73.7-38.6-172.2-67.9-176.363.700111.5T47T47-M106 PolarHBondContact O-N 2.81Å
107D64.8Low81.7Confident89 Ų8958 Ų5848%0.47633%0.332SS..THydrogen-bonded Turntrans-108.840-171.6-50.6-50.7000111.6T47 D48 E109T47-D107 VanDerWaalsContact CB-OD2 3.23Å; T47-D107 WeakPolarHBondContact CB-OD2 3.42Å; T47-D107 PolarHBondContact O-N 3.44Å; T47-D107 VanDerWaalsContact O-N 3.17Å; T47-D107 PolarHBondContact OG1-OD2 3.37Å; D48-D107 HydrophobicContact CB-CB 3.86Å; D107-E109 PolarHBondContact O-N 3.11Å
108L72.4Confident81.7Confident25 Ų2565 Ų6513%0.13138%0.377CS..  trans-70.3123.1172.8-166.667.5000108.5V105 L110V105-L108 HydrophobicContact CG1-CB 4.06Å; V105-L108 HydrophobicContact CG1-CD1 4.41Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 HydrophobicContact CB-CG 4.28Å; L108-L110 HydrophobicContact CD2-CD1 4.27Å; L108-L110 HydrophobicContact CD2-CD2 3.87Å; L108-L110 HydrophobicContact CD2-CG 4.07Å; L108-L110 HydrophobicContact CG-CD2 4.1Å; L108-L110 HydrophobicContact CG-CG 4.1Å; L108-L110 PolarHBondContact O-N 3.16Å
109E77.7Confident81.8Confident104 Ų10466.9 Ų66.949%0.48639%0.387SS..  trans-6886.9-179.9-64.5175.614200110K83 R96 D107K83-E109 IonicContact NZ-OE2 3.11Å; K83-E109 PolarHBondContact NZ-OE2 2.72Å; R96-E109 IonicContact CZ-OE2 3.78Å; R96-E109 IonicContact NH1-OE2 3.64Å; R96-E109 IonicContact NH2-OE2 3.56Å; R96-E109 PolarHBondContact NH2-OE2 2.96Å; D107-E109 PolarHBondContact O-N 3.11Å
110L84.8Confident82.4Confident39 Ų3966.8 Ų66.820%0.20439%0.389CS..EExtended strand (participates in β ladder)trans-110.4125.7179.5-68.2-171.2000109.5L108 F188 L196L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 HydrophobicContact CB-CG 4.28Å; L108-L110 HydrophobicContact CD2-CD1 4.27Å; L108-L110 HydrophobicContact CD2-CD2 3.87Å; L108-L110 HydrophobicContact CD2-CG 4.07Å; L108-L110 HydrophobicContact CG-CD2 4.1Å; L108-L110 HydrophobicContact CG-CG 4.1Å; L108-L110 PolarHBondContact O-N 3.16Å; L110-F188 HydrophobicContact CB-CB 3.94Å; L110-F188 HydrophobicContact CB-CD1 4.07Å; L110-F188 HydrophobicContact CB-CG 4.21Å; L110-F188 HydrophobicContact CD1-CB 4.21Å; L110-F188 HydrophobicContact CD1-CG 4.33Å; L110-L196 HydrophobicContact CD1-CD1 4.29Å; L110-L196 HydrophobicContact CD2-CD1 3.68Å
111K91.7Very high83Confident121 Ų12167.6 Ų67.653%0.52639%0.394SS..EExtended strand (participates in β ladder)trans-87.8120.6176.9-175.7-168.5-179.4-162.70109.2D119 F188 W189K111-D119 IonicContact NZ-OD2 2.84Å; K111-D119 PolarHBondContact NZ-OD2 3.24Å; K111-F188 CarbonylContact O-C 3.5Å; K111-F188 VanDerWaalsContact O-CA 3.24Å; K111-F188 WeakPolarHBondContact O-CA 3.49Å; K111-W189 HydrophobicContact CB-CB 4.29Å; K111-W189 PolarHBondContact N-O 2.82Å; K111-W189 PolarHBondContact O-N 3.47Å
112P94.1Very high83.5Confident70 Ų7071 Ų7146%0.45542%0.423SS..EExtended strand (participates in β ladder)trans-64.2142.9178.127.1-34000111.2F188P112-F188 HydrophobicContact CB-CD1 4.15Å; P112-F188 HydrophobicContact CB-CE1 4.12Å
113V95.6Very high84.3Confident7 Ų771.9 Ų71.94%0.04242%0.422CS..PPolyproline II helixtrans-91125171.1-1790000108.3C120 L181 F187 W189 L195V113-C120 HydrophobicContact CG1-CB 3.85Å; V113-L181 HydrophobicContact CG1-CD1 4.14Å; V113-F187 HydrophobicContact CB-CB 3.91Å; V113-F187 WeakPolarHBondContact CB-O 3.28Å; V113-F187 HydrophobicContact CG2-CB 3.96Å; V113-F187 PolarHBondContact N-O 2.87Å; V113-W189 HydrophobicContact CG2-CG 4.2Å; V113-L195 HydrophobicContact CG2-CD1 3.8Å
114L93.8Very high85.3Confident114 Ų11469.9 Ų69.960%0.59741%0.411SS*.  trans-104.5136.4-178.9-58-179.8000110G116 S117 C120L114-G116 PolarHBondContact O-N 3.01Å; L114-S117 WeakPolarHBondContact O-CB 3.11Å; L114-S117 PolarHBondContact O-N 3.05Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.92Å; L114-C120 WeakPolarHBondContact O-CB 3.36Å
115A90.7Very high86.6Confident80 Ų8061.8 Ų61.866%0.66137%0.374SS*.THydrogen-bonded Turntrans-57.2129176.700000110.8S117A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.99Å
116G86.8Confident87.7Confident81 Ų8162.7 Ų62.784%0.83538%0.376SS*.THydrogen-bonded Turntrans79.91-179.900000115.6L114L114-G116 PolarHBondContact O-N 3.01Å
117S91.2Very high89.3Confident28 Ų2856.7 Ų56.720%0.19635%0.351CS..  trans-72.6153.3172.8710000111.6L114 A115 D119 C120L114-S117 WeakPolarHBondContact O-CB 3.11Å; L114-S117 PolarHBondContact O-N 3.05Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.92Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.99Å; S117-D119 WeakPolarHBondContact CB-OD1 3.48Å; S117-D119 PolarHBondContact O-N 3.35Å; S117-D119 VanDerWaalsContact O-N 3.14Å; S117-D119 PolarHBondContact OG-OD1 3.01Å; S117-C120 VanDerWaalsContact O-CB 3.31Å; S117-C120 WeakPolarHBondContact O-CB 3.5Å; S117-C120 PolarHBondContact O-N 2.96Å; S117-C120 PolarHBondContact OG-N 2.74Å
118P89.2Confident90.8Very high145 Ų14552.9 Ų52.994%0.94233%0.331SS*.THydrogen-bonded Turntrans-60.4-23.2178.4-25.334.7000114.6
119D88.7Confident91.9Very high50 Ų5053.1 Ų53.127%0.26733%0.331SS..THydrogen-bonded Turntrans-95.85.317863.4-23.6000113.5K111 S117 P121 W189K111-D119 IonicContact NZ-OD2 2.84Å; K111-D119 PolarHBondContact NZ-OD2 3.24Å; S117-D119 WeakPolarHBondContact CB-OD1 3.48Å; S117-D119 PolarHBondContact O-N 3.35Å; S117-D119 VanDerWaalsContact O-N 3.14Å; S117-D119 PolarHBondContact OG-OD1 3.01Å; D119-P121 WeakPolarHBondContact O-CD 3.43Å; D119-W189 WeakPolarHBondContact O-CZ2 3.42Å; D119-W189 PolarHBondContact O-NE1 3.39Å
120C93.1Very high92.7Very high22 Ų2250.5 Ų50.515%0.14932%0.319CS..  trans-80.4113.3170.8-175.80000109.8V113 L114 S117 L181V113-C120 HydrophobicContact CG1-CB 3.85Å; L114-C120 WeakPolarHBondContact O-CB 3.36Å; S117-C120 VanDerWaalsContact O-CB 3.31Å; S117-C120 WeakPolarHBondContact O-CB 3.5Å; S117-C120 PolarHBondContact O-N 2.96Å; S117-C120 PolarHBondContact OG-N 2.74Å; C120-L181 VanDerWaalsContact SG-CD1 3.53Å
121P92.9Very high93.3Very high20 Ų2057.1 Ų57.113%0.1334%0.342CS..  trans-72.8140.2176.729.5-28.4000109.5D119 T153 V177 W189 L195D119-P121 WeakPolarHBondContact O-CD 3.43Å; P121-T153 HydrophobicContact CB-CG2 4.41Å; P121-V177 HydrophobicContact CG-CG1 4.32Å; P121-V177 HydrophobicContact CG-CG2 4.39Å; P121-V177 WeakPolarHBondContact O-CB 3.34Å; P121-W189 HydrophobicContact CG-CH2 4.34Å; P121-W189 HydrophobicContact CG-CZ2 3.98Å; P121-L195 HydrophobicContact CG-CD1 4.43Å; P121-L195 HydrophobicContact CG-CD2 3.8Å
122A92.4Very high93.5Very high74 Ų7454.2 Ų54.261%0.61233%0.332SS*.SBendtrans-70.5-41.1174.600000111.6V177A122-V177 PolarHBondContact O-N 3.08Å
123E93.3Very high93.7Very high65 Ų6551.7 Ų51.730%0.30431%0.313SS..EExtended strand (participates in β ladder)trans-128.1144.8178.7-174.9171.5-102.900109.6F174 I175 T211 R212E123-F174 HydrophobicContact CG-CB 4.07Å; E123-F174 HydrophobicContact CG-CD1 4.03Å; E123-F174 WeakPolarHBondContact OE2-CD1 3.49Å; E123-I175 VanDerWaalsContact CA-O 3.26Å; E123-I175 WeakPolarHBondContact CA-O 3.32Å; E123-T211 WeakPolarHBondContact OE1-CB 3.44Å; E123-T211 PolarHBondContact OE1-OG1 2.61Å; E123-R212 IonicContact OE1-NE 3.37Å; E123-R212 IonicContact OE2-CZ 2.93Å; E123-R212 IonicContact OE2-NE 3.09Å; E123-R212 IonicContact OE2-NH2 2.75Å; E123-R212 PolarHBondContact OE2-NH2 3.1Å
124A95.7Very high93.7Very high1 Ų155.5 Ų55.51%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-129.1159.9169.300000110.6L151 S152 F174 I175 V177 L195A124-L151 HydrophobicContact CB-CB 4.1Å; A124-L151 HydrophobicContact CB-CD1 4.09Å; A124-S152 CarbonylContact C-O 3.53Å; A124-S152 WeakPolarHBondContact CA-O 3.46Å; A124-F174 CarbonylContact O-C 3.46Å; A124-F174 WeakPolarHBondContact O-CA 3.15Å; A124-I175 PolarHBondContact N-O 3.35Å; A124-I175 PolarHBondContact O-N 3.31Å; A124-V177 HydrophobicContact CB-CG2 3.55Å; A124-L195 HydrophobicContact CB-CD2 3.6Å
125V95.7Very high93.9Very high1 Ų152.9 Ų52.91%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-124.6134.4-178.568.40000112S152 G154 L155 M165 A172 V173 F174V125-S152 PolarHBondContact N-O 3.29Å; V125-S152 PolarHBondContact O-N 3.32Å; V125-G154 VanDerWaalsContact CG1-C 3.43Å; V125-G154 WeakPolarHBondContact CG1-O 3.3Å; V125-L155 HydrophobicContact CG2-CD2 3.98Å; V125-M165 HydrophobicContact CG1-SD 3.93Å; V125-M165 HydrophobicContact CG2-SD 4.31Å; V125-A172 HydrophobicContact CG2-CB 3.74Å; V125-V173 CarbonylContact C-O 3.5Å; V125-V173 WeakPolarHBondContact CA-O 3.28Å; V125-F174 HydrophobicContact CB-CD1 3.89Å; V125-F174 HydrophobicContact CB-CE1 3.81Å; V125-F174 HydrophobicContact CB-CG 4.49Å; V125-F174 HydrophobicContact CB-CZ 4.31Å; V125-F174 HydrophobicContact CG2-CD1 3.99Å; V125-F174 HydrophobicContact CG2-CD2 4.22Å; V125-F174 HydrophobicContact CG2-CE1 3.75Å; V125-F174 HydrophobicContact CG2-CE2 3.94Å; V125-F174 HydrophobicContact CG2-CG 4.25Å; V125-F174 HydrophobicContact CG2-CZ 3.73Å
126H96Very high94.2Very high39 Ų3949.6 Ų49.618%0.18130%0.301CS..EExtended strand (participates in β ladder)trans-106.2126.1169.6-17476.8000110.5L141 H150 L151 A172 V173 I175H126-L141 HydrophobicContact CB-CD1 3.53Å; H126-L141 HydrophobicContact CB-CD2 4.37Å; H126-L141 VanDerWaalsContact CD2-CD2 3.41Å; H126-L141 WeakPolarHBondContact CD2-CD2 3.44Å; H126-H150 PolarHBondContact ND1-O 3.47Å; H126-L151 HydrophobicContact CB-CD2 3.7Å; H126-A172 WeakPolarHBondContact O-CA 3.23Å; H126-V173 PolarHBondContact N-O 2.81Å; H126-V173 PolarHBondContact O-N 3.25Å; H126-I175 HydrophobicContact CB-CD1 4.3Å
127G95.1Very high94.8Very high15 Ų1547.7 Ų47.716%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-91.4127.7172.800000112.1L171G127-L171 WeakPolarHBondContact CA-O 3.2Å
128S95.6Very high95Very high10 Ų1052.5 Ų52.57%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-138.6-165.4178.6-170.50000110.6N132 I136 C169 D170 L171S128-N132 PolarHBondContact OG-ND2 3.27Å; S128-I136 WeakPolarHBondContact OG-CD1 3.5Å; S128-C169 WeakPolarHBondContact O-CA 3.45Å; S128-C169 VanDerWaalsContact O-CB 3.28Å; S128-C169 WeakPolarHBondContact O-CB 3.46Å; S128-D170 PolarHBondContact O-N 2.98Å; S128-L171 PolarHBondContact N-O 3.46Å; S128-L171 PolarHBondContact O-N 3.35Å
129Y95.6Very high95.4Very high30 Ų3050.1 Ų50.112%0.11827%0.266CS..  trans-110.6140.7175.2-59.4-74.6000110.7R131 N132 R166 N168 D170Y129-R131 VanDerWaalsContact CB-NH1 3.29Å; Y129-R131 VanDerWaalsContact CG-NH1 3.26Å; Y129-R131 PolarHBondContact O-N 3.4Å; Y129-R131 VanDerWaalsContact O-N 3.14Å; Y129-N132 WeakPolarHBondContact O-CA 3.46Å; Y129-N132 VanDerWaalsContact O-CB 3.28Å; Y129-N132 WeakPolarHBondContact O-CB 3.37Å; Y129-N132 PolarHBondContact O-N 2.92Å; Y129-R166 VanDerWaalsContact OH-CD 3.29Å; Y129-R166 WeakPolarHBondContact OH-CD 3.24Å; Y129-R166 PolarHBondContact OH-NH1 3.15Å; Y129-N168 WeakPolarHBondContact CE1-O 3.48Å; Y129-N168 PolarHBondContact OH-ND2 3.02Å; Y129-N168 PolarHBondContact OH-OD1 2.81Å; Y129-D170 WeakPolarHBondContact CA-OD1 3.47Å
130L96Very high95.8Very high48 Ų4848 Ų4825%0.25126%0.256SS..G310 helixtrans-57.6-32.9-175.6-173.866.5000112.5N132 W133 D170 K215 L223L130-N132 PolarHBondContact O-N 3.32Å; L130-N132 VanDerWaalsContact O-N 3.12Å; L130-W133 HydrophobicContact CD1-CB 4.28Å; L130-W133 WeakPolarHBondContact O-CB 3.26Å; L130-W133 PolarHBondContact O-N 3.44Å; L130-D170 PolarHBondContact N-OD1 3.14Å; L130-K215 HydrophobicContact CD1-CB 4.32Å; L130-K215 HydrophobicContact CD1-CG 4.36Å; L130-K215 HydrophobicContact CD2-CD 3.77Å; L130-K215 HydrophobicContact CD2-CG 4.11Å; L130-L223 HydrophobicContact CD1-CD1 3.75Å; L130-L223 HydrophobicContact CD1-CD2 4.44Å
131R96.4Very high96Very high178 Ų17847.1 Ų47.167%0.67225%0.25SC*.G310 helixtrans-57-24.6173.368.6176.6-179-84.1-3.6113.9Y129Y129-R131 VanDerWaalsContact CB-NH1 3.29Å; Y129-R131 VanDerWaalsContact CG-NH1 3.26Å; Y129-R131 PolarHBondContact O-N 3.4Å; Y129-R131 VanDerWaalsContact O-N 3.14Å
132N96.7Very high96.2Very high60 Ų6048.5 Ų48.532%0.32126%0.26SS..G310 helixtrans-87.7-10.4178.3-58.2-21.3000112.1S128 Y129 L130 S135 I136S128-N132 PolarHBondContact OG-ND2 3.27Å; Y129-N132 WeakPolarHBondContact O-CA 3.46Å; Y129-N132 VanDerWaalsContact O-CB 3.28Å; Y129-N132 WeakPolarHBondContact O-CB 3.37Å; Y129-N132 PolarHBondContact O-N 2.92Å; L130-N132 PolarHBondContact O-N 3.32Å; L130-N132 VanDerWaalsContact O-N 3.12Å; N132-S135 PolarHBondContact O-N 3.49Å; N132-I136 HydrophobicContact CB-CD1 3.76Å; N132-I136 HydrophobicContact CB-CG1 4.36Å; N132-I136 WeakPolarHBondContact O-CG1 3.28Å; N132-I136 PolarHBondContact O-N 3.02Å
133W97.1Very high96.3Very high17 Ų1749.7 Ų49.76%0.06425%0.248CC..Hα-helixtrans-54.9-45.6-174.4179-116.1000113.8L130 S135 I136 Q137 L171 V173 A213 L223 P224 L225L130-W133 HydrophobicContact CD1-CB 4.28Å; L130-W133 WeakPolarHBondContact O-CB 3.26Å; L130-W133 PolarHBondContact O-N 3.44Å; W133-S135 VanDerWaalsContact C-N 3.28Å; W133-S135 PolarHBondContact O-N 2.92Å; W133-I136 HydrophobicContact CE3-CB 4.25Å; W133-I136 HydrophobicContact CE3-CG2 4.16Å; W133-I136 HydrophobicContact CZ3-CB 4.49Å; W133-I136 HydrophobicContact CZ3-CG2 3.96Å; W133-I136 PolarHBondContact O-N 3.33Å; W133-I136 VanDerWaalsContact O-N 3.14Å; W133-Q137 HydrophobicContact CD2-CB 4.2Å; W133-Q137 HydrophobicContact CE3-CB 4.49Å; W133-Q137 HydrophobicContact CH2-CB 4.04Å; W133-Q137 HydrophobicContact CH2-CG 4.27Å; W133-Q137 HydrophobicContact CZ2-CB 3.72Å; W133-Q137 HydrophobicContact CZ2-CG 3.74Å; W133-Q137 HydrophobicContact CZ3-CB 4.42Å; W133-Q137 VanDerWaalsContact O-CB 3.29Å; W133-Q137 WeakPolarHBondContact O-CB 3.37Å; W133-Q137 PolarHBondContact O-N 3.36Å; W133-L171 HydrophobicContact CB-CD2 4.08Å; W133-L171 HydrophobicContact CD2-CD1 4.36Å; W133-L171 HydrophobicContact CE3-CD1 3.91Å; W133-L171 HydrophobicContact CE3-CD2 3.94Å; W133-V173 HydrophobicContact CE3-CG2 4.27Å; W133-V173 HydrophobicContact CZ3-CG2 3.82Å; W133-A213 HydrophobicContact CE3-CB 4.23Å; W133-A213 HydrophobicContact CH2-CB 3.22Å; W133-A213 HydrophobicContact CZ2-CB 3.77Å; W133-A213 HydrophobicContact CZ3-CB 3.48Å; W133-A213 VanDerWaalsContact CZ3-CB 3.48Å; W133-L223 HydrophobicContact CD2-CD1 3.89Å; W133-L223 HydrophobicContact CG-CD1 3.91Å; W133-L223 HydrophobicContact CZ2-CB 4.06Å; W133-P224 VanDerWaalsContact CZ2-O 3.32Å; W133-P224 WeakPolarHBondContact CZ2-O 3.47Å; W133-L225 HydrophobicContact CH2-CD2 3.85Å; W133-L225 HydrophobicContact CZ2-CD2 4.33Å
134P96.9Very high96.1Very high87 Ų8753.4 Ų53.457%0.56527%0.268SS*.Hα-helixtrans-57.6-40.7-179.6-26.136000113.3Q138P134-Q138 WeakPolarHBondContact O-CB 3.47Å; P134-Q138 PolarHBondContact O-N 3.01Å
135S97.2Very high95.7Very high59 Ų5960.2 Ų60.241%0.41330%0.304SS..Hα-helixtrans-71.2-43.2176.6169.20000111.5N132 W133 Q137 Q138 Q139N132-S135 PolarHBondContact O-N 3.49Å; W133-S135 VanDerWaalsContact C-N 3.28Å; W133-S135 PolarHBondContact O-N 2.92Å; S135-Q137 PolarHBondContact O-N 3.29Å; S135-Q138 PolarHBondContact O-N 2.77Å; S135-Q139 WeakPolarHBondContact O-CB 3.47Å; S135-Q139 PolarHBondContact O-N 3.32Å
136I97.8Very high95.4Very high12 Ų1264.3 Ų64.36%0.06232%0.319CS..Hα-helixtrans-63.9-43179.7-67.8167.5000111.2S128 N132 W133 Q138 G140 L141 L171 V173 F210S128-I136 WeakPolarHBondContact OG-CD1 3.5Å; N132-I136 HydrophobicContact CB-CD1 3.76Å; N132-I136 HydrophobicContact CB-CG1 4.36Å; N132-I136 WeakPolarHBondContact O-CG1 3.28Å; N132-I136 PolarHBondContact O-N 3.02Å; W133-I136 HydrophobicContact CE3-CB 4.25Å; W133-I136 HydrophobicContact CE3-CG2 4.16Å; W133-I136 HydrophobicContact CZ3-CB 4.49Å; W133-I136 HydrophobicContact CZ3-CG2 3.96Å; W133-I136 PolarHBondContact O-N 3.33Å; W133-I136 VanDerWaalsContact O-N 3.14Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 3.05Å; I136-G140 VanDerWaalsContact O-CA 3.24Å; I136-G140 WeakPolarHBondContact O-CA 3.4Å; I136-G140 PolarHBondContact O-N 2.95Å; I136-L141 HydrophobicContact CD1-CD2 4.08Å; I136-L141 HydrophobicContact CG1-CD2 4.15Å; I136-L141 HydrophobicContact CG2-CD2 3.68Å; I136-L141 HydrophobicContact CG2-CG 4.32Å; I136-L171 HydrophobicContact CD1-CD2 3.99Å; I136-V173 HydrophobicContact CG2-CG2 4.12Å; I136-F210 HydrophobicContact CG2-CE2 3.78Å; I136-F210 HydrophobicContact CG2-CZ 3.9Å; I136-F210 WeakPolarHBondContact O-CE2 3.2Å
137Q97.4Very high95Very high41 Ų4163.7 Ų63.719%0.19232%0.318CS..Hα-helixtrans-60.2-41.2178.9-174.7179.28.500111.5W133 S135 P207 P224 Q226W133-Q137 HydrophobicContact CD2-CB 4.2Å; W133-Q137 HydrophobicContact CE3-CB 4.49Å; W133-Q137 HydrophobicContact CH2-CB 4.04Å; W133-Q137 HydrophobicContact CH2-CG 4.27Å; W133-Q137 HydrophobicContact CZ2-CB 3.72Å; W133-Q137 HydrophobicContact CZ2-CG 3.74Å; W133-Q137 HydrophobicContact CZ3-CB 4.42Å; W133-Q137 VanDerWaalsContact O-CB 3.29Å; W133-Q137 WeakPolarHBondContact O-CB 3.37Å; W133-Q137 PolarHBondContact O-N 3.36Å; S135-Q137 PolarHBondContact O-N 3.29Å; Q137-P207 WeakPolarHBondContact O-CB 3.47Å; Q137-P207 WeakPolarHBondContact O-CG 3.49Å; Q137-P224 PolarHBondContact NE2-O 3.29Å; Q137-Q226 HydrophobicContact CG-CB 4.16Å
138Q97Very high95Very high128 Ų12864.4 Ų64.460%0.59832%0.317SS*.Hα-helixtrans-83.9-39.8-176.4-173.9-178.248.300113.3P134 S135 I136P134-Q138 WeakPolarHBondContact O-CB 3.47Å; P134-Q138 PolarHBondContact O-N 3.01Å; S135-Q138 PolarHBondContact O-N 2.77Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 3.05Å
139Q96.8Very high95Very high95 Ų9564 Ų6444%0.44432%0.315SS..Hα-helixtrans-113.5-10.9-166.6-56.9178.21600113.6S135S135-Q139 WeakPolarHBondContact O-CB 3.47Å; S135-Q139 PolarHBondContact O-N 3.32Å
140G97.6Very high94.8Very high6 Ų664.1 Ų64.16%0.06232%0.316CS..  trans89.6-175.2-17500000113.5I136 L205I136-G140 VanDerWaalsContact O-CA 3.24Å; I136-G140 WeakPolarHBondContact O-CA 3.4Å; I136-G140 PolarHBondContact O-N 2.95Å; G140-L205 CarbonylContact C-O 3.57Å; G140-L205 WeakPolarHBondContact CA-O 3.33Å
141L97.9Very high94.8Very high4 Ų462.1 Ų62.12%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-83.2141.5171.5-63.4171.9000109.1H126 I136 I149 I175 K204 L205 F210H126-L141 HydrophobicContact CB-CD1 3.53Å; H126-L141 HydrophobicContact CB-CD2 4.37Å; H126-L141 VanDerWaalsContact CD2-CD2 3.41Å; H126-L141 WeakPolarHBondContact CD2-CD2 3.44Å; I136-L141 HydrophobicContact CD1-CD2 4.08Å; I136-L141 HydrophobicContact CG1-CD2 4.15Å; I136-L141 HydrophobicContact CG2-CD2 3.68Å; I136-L141 HydrophobicContact CG2-CG 4.32Å; L141-I149 HydrophobicContact CB-CD1 4.07Å; L141-I149 HydrophobicContact CB-CG2 4.39Å; L141-I149 HydrophobicContact CD1-CG2 4.46Å; L141-I149 WeakPolarHBondContact O-CD1 3.22Å; L141-I175 HydrophobicContact CD1-CD1 3.77Å; L141-I175 HydrophobicContact CD1-CG1 4.38Å; L141-K204 CarbonylContact O-C 3.58Å; L141-K204 WeakPolarHBondContact O-CA 3.46Å; L141-L205 HydrophobicContact CB-CB 4.29Å; L141-L205 HydrophobicContact CD1-CD2 4.4Å; L141-L205 PolarHBondContact N-O 2.65Å; L141-L205 PolarHBondContact O-N 2.67Å; L141-F210 HydrophobicContact CD1-CE1 4.19Å; L141-F210 HydrophobicContact CG-CE1 4.04Å; L141-F210 HydrophobicContact CG-CZ 3.92Å
142S96.4Very high94.5Very high48 Ų4854 Ų5434%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-119.9145.1175.4177.40000110.6M144S142-M144 PolarHBondContact O-N 3.02Å; S142-M144 PolarHBondContact OG-N 3.06Å
143R93.3Very high94.2Very high99 Ų9954.6 Ų54.637%0.37428%0.282SS..  trans-64.4-13.7167.767.3-177.7-178.7142.31.1112.7N145 R146 T147 I149 A198 G203R143-N145 PolarHBondContact O-N 3.09Å; R143-R146 WeakPolarHBondContact CB-O 3.44Å; R143-R146 VanDerWaalsContact CD-O 3.31Å; R143-R146 WeakPolarHBondContact CD-O 3.35Å; R143-R146 VanDerWaalsContact CG-O 3.31Å; R143-R146 WeakPolarHBondContact CG-O 3.45Å; R143-R146 VanDerWaalsContact O-CB 3.3Å; R143-R146 WeakPolarHBondContact O-CB 3.29Å; R143-R146 PolarHBondContact O-N 3.01Å; R143-T147 WeakPolarHBondContact CD-O 3.4Å; R143-T147 PolarHBondContact NH1-O 3.23Å; R143-I149 HydrophobicContact CB-CG1 4.01Å; R143-A198 WeakPolarHBondContact CD-O 3.37Å; R143-G203 PolarHBondContact N-O 3.33Å
144M91Very high93.8Very high144 Ų14453.9 Ų53.971%0.70928%0.28SS*.THydrogen-bonded Turntrans52.1-128.9-176.1-57.3-64.3-64.700109.7S142 R146S142-M144 PolarHBondContact O-N 3.02Å; S142-M144 PolarHBondContact OG-N 3.06Å; M144-R146 PolarHBondContact O-N 3.15Å
145N87.3Confident93.2Very high144 Ų14450.3 Ų50.377%0.7726%0.256SS*.THydrogen-bonded Turntrans-82.86177.5-60.1-19.2000113.5S102 R143S102-N145 WeakPolarHBondContact CA-O 3.28Å; S102-N145 WeakPolarHBondContact CB-O 3.39Å; R143-N145 PolarHBondContact O-N 3.09Å
146R87.9Confident92.3Very high86 Ų8650.7 Ų50.733%0.32526%0.258SS..SBendtrans-95.2163.7178.3-61.4177.7171.9-162-7.6110.5R143 M144 H148 H150R143-R146 WeakPolarHBondContact CB-O 3.44Å; R143-R146 VanDerWaalsContact CD-O 3.31Å; R143-R146 WeakPolarHBondContact CD-O 3.35Å; R143-R146 VanDerWaalsContact CG-O 3.31Å; R143-R146 WeakPolarHBondContact CG-O 3.45Å; R143-R146 VanDerWaalsContact O-CB 3.3Å; R143-R146 WeakPolarHBondContact O-CB 3.29Å; R143-R146 PolarHBondContact O-N 3.01Å; M144-R146 PolarHBondContact O-N 3.15Å; R146-H148 VanDerWaalsContact C-N 3.34Å; R146-H150 PolarHBondContact NH1-ND1 2.81Å
147T89Confident91.1Very high27 Ų2753.9 Ų53.917%0.16629%0.293CS..SBendtrans-70.8-30.6174.5560000112.9H101 R143H101-T147 PolarHBondContact O-N 3.15Å; H101-T147 VanDerWaalsContact O-N 3.13Å; H101-T147 PolarHBondContact O-OG1 2.93Å; R143-T147 WeakPolarHBondContact CD-O 3.4Å; R143-T147 PolarHBondContact NH1-O 3.23Å
148H93.8Very high90.1Very high29 Ų2955.7 Ų55.713%0.13430%0.301CS..SBendtrans-140.1153.1-175-59.879.1000112.7R146 H150 L196 T197R146-H148 VanDerWaalsContact C-N 3.34Å; H148-H150 PolarHBondContact O-CE1 2.99Å; H148-H150 PolarHBondContact O-ND1 2.77Å; H148-L196 HydrophobicContact CB-CB 4.05Å; H148-L196 HydrophobicContact CB-CD2 4.24Å; H148-T197 CarbonylContact C-O 3.45Å; H148-T197 VanDerWaalsContact CA-O 3.28Å; H148-T197 WeakPolarHBondContact CA-O 3.36Å; H148-T197 WeakPolarHBondContact CB-O 3.18Å
149I95.1Very high88.6Confident3 Ų357.6 Ų57.62%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-75129.5161.3-59.4169.7000108.2L141 R143 L151 L196 T197 L205L141-I149 HydrophobicContact CB-CD1 4.07Å; L141-I149 HydrophobicContact CB-CG2 4.39Å; L141-I149 HydrophobicContact CD1-CG2 4.46Å; L141-I149 WeakPolarHBondContact O-CD1 3.22Å; R143-I149 HydrophobicContact CB-CG1 4.01Å; I149-L151 HydrophobicContact CG2-CD2 3.84Å; I149-L151 HydrophobicContact CG2-CG 4.33Å; I149-L196 WeakPolarHBondContact O-CA 3.28Å; I149-T197 HydrophobicContact CB-CG2 3.96Å; I149-T197 HydrophobicContact CD1-CG2 4.37Å; I149-T197 PolarHBondContact N-O 2.83Å; I149-T197 PolarHBondContact O-N 3.45Å; I149-L205 HydrophobicContact CD1-CB 3.8Å
150H93.3Very high87Confident32 Ų3257.2 Ų57.215%0.14834%0.337CS..EExtended strand (participates in β ladder)trans-94.6127.2178.6-65.181.2000111.1H126 R146 H148 L196H126-H150 PolarHBondContact ND1-O 3.47Å; R146-H150 PolarHBondContact NH1-ND1 2.81Å; H148-H150 PolarHBondContact O-CE1 2.99Å; H148-H150 PolarHBondContact O-ND1 2.77Å; H150-L196 WeakPolarHBondContact CD2-CD2 3.32Å; H150-L196 WeakPolarHBondContact NE2-CD2 3.36Å
151L94.4Very high85.6Confident5 Ų559.1 Ų59.13%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-123.9158.7-178.9-54.9179.1000110.8A124 H126 I149 I175 F187 L195 T197A124-L151 HydrophobicContact CB-CB 4.1Å; A124-L151 HydrophobicContact CB-CD1 4.09Å; H126-L151 HydrophobicContact CB-CD2 3.7Å; I149-L151 HydrophobicContact CG2-CD2 3.84Å; I149-L151 HydrophobicContact CG2-CG 4.33Å; L151-I175 HydrophobicContact CD1-CD1 3.9Å; L151-I175 HydrophobicContact CD2-CD1 3.26Å; L151-I175 HydrophobicContact CG-CD1 4.21Å; L151-F187 HydrophobicContact CD1-CD1 4.16Å; L151-F187 HydrophobicContact CD1-CE1 3.59Å; L151-L195 HydrophobicContact CB-CB 4.03Å; L151-L195 HydrophobicContact CB-CD2 4.13Å; L151-L195 HydrophobicContact CB-CG 4.32Å; L151-L195 HydrophobicContact CD1-CD2 4.06Å; L151-L195 HydrophobicContact CD1-CG 4.47Å; L151-L195 PolarHBondContact N-O 3.38Å; L151-L195 PolarHBondContact O-N 2.91Å; L151-T197 HydrophobicContact CD1-CG2 4.28Å
152S91.4Very high84.1Confident8 Ų865.9 Ų65.96%0.05638%0.38CS..BIsolated β-bridgetrans-123.3154.6175.3-179.30000108.9A124 V125 G154 S163A124-S152 CarbonylContact C-O 3.53Å; A124-S152 WeakPolarHBondContact CA-O 3.46Å; V125-S152 PolarHBondContact N-O 3.29Å; V125-S152 PolarHBondContact O-N 3.32Å; S152-G154 WeakPolarHBondContact CB-O 3.22Å; S152-G154 PolarHBondContact O-N 2.93Å; S152-G154 PolarHBondContact OG-N 3.09Å; S152-G154 PolarHBondContact OG-O 3.37Å; S152-S163 WeakPolarHBondContact OG-CA 2.91Å; S152-S163 PolarHBondContact OG-OG 2.63Å
153T90.1Very high82.9Confident72 Ų7264.2 Ų64.244%0.44237%0.369SS..SBendtrans-78.6-9.6174.6480000113.4P121 W189P121-T153 HydrophobicContact CB-CG2 4.41Å; T153-W189 HydrophobicContact CG2-CH2 3.52Å; T153-W189 HydrophobicContact CG2-CZ2 4.46Å; T153-W189 HydrophobicContact CG2-CZ3 4.29Å
154G87.4Confident81.9Confident3 Ų361.4 Ų61.43%0.03137%0.37CS..SBendtrans-172.2-177.317500000113.7V125 S152 S163V125-G154 VanDerWaalsContact CG1-C 3.43Å; V125-G154 WeakPolarHBondContact CG1-O 3.3Å; S152-G154 WeakPolarHBondContact CB-O 3.22Å; S152-G154 PolarHBondContact O-N 2.93Å; S152-G154 PolarHBondContact OG-N 3.09Å; S152-G154 PolarHBondContact OG-O 3.37Å; G154-S163 PolarHBondContact O-OG 2.91Å
155L85.8Confident81.6Confident11 Ų1155.4 Ų55.46%0.05834%0.341CS..  trans-77.2154.4-175.9-67.7176.4000111.7V125 G157 E158 M165 A172 F174 L216V125-L155 HydrophobicContact CG2-CD2 3.98Å; L155-G157 PolarHBondContact O-N 3.38Å; L155-E158 HydrophobicContact CB-CG 4.22Å; L155-E158 PolarHBondContact N-OE2 3.19Å; L155-E158 PolarHBondContact O-N 3.5Å; L155-M165 HydrophobicContact CD2-CE 4.01Å; L155-M165 HydrophobicContact CD2-SD 4.29Å; L155-A172 HydrophobicContact CD2-CB 3.61Å; L155-F174 HydrophobicContact CD1-CZ 4.03Å; L155-F174 HydrophobicContact CD2-CZ 3.86Å; L155-F174 HydrophobicContact CG-CE1 4.49Å; L155-F174 HydrophobicContact CG-CZ 3.88Å; L155-L216 HydrophobicContact CD1-CD2 4.34Å; L155-L216 HydrophobicContact CD2-CD2 4.23Å
156P78.3Confident81.4Confident68 Ų6855.3 Ų55.344%0.44233%0.33SS..THydrogen-bonded Turntrans-58.4127.6171.8-20.631.4000111.2M165P156-M165 HydrophobicContact CG-CB 3.95Å; P156-M165 HydrophobicContact CG-CE 4.44Å; P156-M165 HydrophobicContact CG-SD 4.27Å
157G72.2Confident81.1Confident78 Ų7860 Ų6080%0.80435%0.353SS*.THydrogen-bonded Turntrans90.12.5177.300000114.9L155L155-G157 PolarHBondContact O-N 3.38Å
158E77.2Confident81Confident79 Ų7963.5 Ų63.537%0.36937%0.37SS..SBendtrans-74.3137.9162.3-72.2173175.900109.3L155 G160 I161L155-E158 HydrophobicContact CB-CG 4.22Å; L155-E158 PolarHBondContact N-OE2 3.19Å; L155-E158 PolarHBondContact O-N 3.5Å; E158-G160 PolarHBondContact O-N 3.12Å; E158-I161 HydrophobicContact CB-CD1 3.99Å; E158-I161 HydrophobicContact CB-CG1 4.42Å; E158-I161 PolarHBondContact O-N 3.27Å; E158-I161 VanDerWaalsContact O-N 3.12Å
159D65.2Low80.9Confident169 Ų16962.4 Ų62.490%0.90437%0.366SS*.THydrogen-bonded Turntrans-57.1127.8-171.6-72.9-37.3000111.7I161D159-I161 VanDerWaalsContact C-N 3.29Å; D159-I161 PolarHBondContact O-N 2.91Å
160G63.3Low80.9Confident86 Ų8664.5 Ų64.589%0.88738%0.377SS*.THydrogen-bonded Turntrans78.4-0.3178.600000115.8E158E158-G160 PolarHBondContact O-N 3.12Å
161I67.4Low81.1Confident46 Ų4663 Ų6324%0.23637%0.37CS..  trans-103.3108.9-176.9-55-176.2000111.5E158 D159 S163E158-I161 HydrophobicContact CB-CD1 3.99Å; E158-I161 HydrophobicContact CB-CG1 4.42Å; E158-I161 PolarHBondContact O-N 3.27Å; E158-I161 VanDerWaalsContact O-N 3.12Å; D159-I161 VanDerWaalsContact C-N 3.29Å; D159-I161 PolarHBondContact O-N 2.91Å; I161-S163 VanDerWaalsContact C-N 3.33Å; I161-S163 PolarHBondContact O-N 2.84Å
162I65.7Low81.2Confident146 Ų14662.7 Ų62.775%0.74937%0.368SS*.  trans-79.185.2169.2-55.8178000108.6G164I162-G164 PolarHBondContact O-N 3.21Å
163S72.5Confident81.5Confident14 Ų1462.3 Ų62.310%0.09837%0.366CS..  trans-69.5122.6-178.8-174.70000112.2S152 G154 I161 M165S152-S163 WeakPolarHBondContact OG-CA 2.91Å; S152-S163 PolarHBondContact OG-OG 2.63Å; G154-S163 PolarHBondContact O-OG 2.91Å; I161-S163 VanDerWaalsContact C-N 3.33Å; I161-S163 PolarHBondContact O-N 2.84Å; S163-M165 PolarHBondContact O-N 3.27Å; S163-M165 VanDerWaalsContact O-N 3.14Å; S163-M165 WeakPolarHBondContact OG-CB 3.4Å; S163-M165 VanDerWaalsContact OG-CG 3.28Å; S163-M165 WeakPolarHBondContact OG-CG 3.06Å; S163-M165 PolarHBondContact OG-N 3.42Å; S163-M165 PolarHBondContact OG-SD 3.36Å
164G72.8Confident81.8Confident40 Ų4059.2 Ų59.241%0.41235%0.346SS..  trans-62.9-13.7171.500000113.7K79 I162K79-G164 PolarHBondContact NZ-O 2.93Å; I162-G164 PolarHBondContact O-N 3.21Å
165M83.3Confident82.3Confident17 Ų1759 Ų598%0.08434%0.344CS..SBendtrans-59.6155.3-178-64.9167.662.800112.4K79 V125 L155 P156 S163 A172 L216K79-M165 PolarHBondContact NZ-O 3.12Å; V125-M165 HydrophobicContact CG1-SD 3.93Å; V125-M165 HydrophobicContact CG2-SD 4.31Å; L155-M165 HydrophobicContact CD2-CE 4.01Å; L155-M165 HydrophobicContact CD2-SD 4.29Å; P156-M165 HydrophobicContact CG-CB 3.95Å; P156-M165 HydrophobicContact CG-CE 4.44Å; P156-M165 HydrophobicContact CG-SD 4.27Å; S163-M165 PolarHBondContact O-N 3.27Å; S163-M165 VanDerWaalsContact O-N 3.14Å; S163-M165 WeakPolarHBondContact OG-CB 3.4Å; S163-M165 VanDerWaalsContact OG-CG 3.28Å; S163-M165 WeakPolarHBondContact OG-CG 3.06Å; S163-M165 PolarHBondContact OG-N 3.42Å; S163-M165 PolarHBondContact OG-SD 3.36Å; M165-A172 HydrophobicContact CE-CB 4.21Å; M165-L216 HydrophobicContact CE-CD1 4.15Å
166R83.2Confident82.9Confident142 Ų14260.9 Ų60.954%0.53635%0.354SS..  trans-79.2139.4174.5-59.6177.6178.5179.6-0.1108.8Y129 N168 C169Y129-R166 VanDerWaalsContact OH-CD 3.29Å; Y129-R166 WeakPolarHBondContact OH-CD 3.24Å; Y129-R166 PolarHBondContact OH-NH1 3.15Å; R166-N168 WeakPolarHBondContact CB-OD1 3.29Å; R166-N168 PolarHBondContact O-N 2.95Å; R166-C169 WeakPolarHBondContact O-CB 3.22Å; R166-C169 PolarHBondContact O-N 3.35Å
167K82.1Confident83.8Confident186 Ų18657.7 Ų57.781%0.80933%0.333SS*.THydrogen-bonded Turntrans-58.5-23.3179.3-65-175.5178.9179.50113.4K217K167-K217 PolarHBondContact O-NZ 3.05Å; K167-K217 VanDerWaalsContact O-NZ 3.09Å
168N87.4Confident84.9Confident100 Ų10056.8 Ų56.854%0.53532%0.315SS..THydrogen-bonded Turntrans-98.16.518074.1-21.1000114.3Y129 R166Y129-N168 WeakPolarHBondContact CE1-O 3.48Å; Y129-N168 PolarHBondContact OH-ND2 3.02Å; Y129-N168 PolarHBondContact OH-OD1 2.81Å; R166-N168 WeakPolarHBondContact CB-OD1 3.29Å; R166-N168 PolarHBondContact O-N 2.95Å
169C91Very high85.8Confident6 Ų658.9 Ų58.94%0.04132%0.319CS..  trans-62.7139.7169-73.80000110.1S128 R166S128-C169 WeakPolarHBondContact O-CA 3.45Å; S128-C169 VanDerWaalsContact O-CB 3.28Å; S128-C169 WeakPolarHBondContact O-CB 3.46Å; R166-C169 WeakPolarHBondContact O-CB 3.22Å; R166-C169 PolarHBondContact O-N 3.35Å
170D95Very high87.3Confident46 Ų4650.9 Ų50.925%0.24628%0.276CS..  trans-121.86.6177.758.9-2.7000112.1S128 Y129 L130 K215 L216 K217S128-D170 PolarHBondContact O-N 2.98Å; Y129-D170 WeakPolarHBondContact CA-OD1 3.47Å; L130-D170 PolarHBondContact N-OD1 3.14Å; D170-K215 CarbonylContact O-C 3.6Å; D170-K215 WeakPolarHBondContact O-CA 3.43Å; D170-L216 PolarHBondContact O-N 3.05Å; D170-K217 HydrophobicContact CB-CB 4.32Å
171L96.6Very high89Confident0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-131.5136.8173.7171.766.1000110.2G127 S128 W133 I136 V173 L214 L223G127-L171 WeakPolarHBondContact CA-O 3.2Å; S128-L171 PolarHBondContact N-O 3.46Å; S128-L171 PolarHBondContact O-N 3.35Å; W133-L171 HydrophobicContact CB-CD2 4.08Å; W133-L171 HydrophobicContact CD2-CD1 4.36Å; W133-L171 HydrophobicContact CE3-CD1 3.91Å; W133-L171 HydrophobicContact CE3-CD2 3.94Å; I136-L171 HydrophobicContact CD1-CD2 3.99Å; L171-V173 HydrophobicContact CD1-CG2 4.18Å; L171-V173 HydrophobicContact CD2-CG2 4.25Å; L171-V173 HydrophobicContact CG-CG2 4.09Å; L171-L214 CarbonylContact C-O 3.5Å; L171-L214 WeakPolarHBondContact CA-O 3.43Å; L171-L223 HydrophobicContact CD1-CD1 3.56Å
172A96.7Very high90.3Very high0 Ų049.8 Ų49.80%026%0.262CS..EExtended strand (participates in β ladder)trans-126.1128.4168.100000110.2V125 H126 L155 M165 F174 A213 L214 L216V125-A172 HydrophobicContact CG2-CB 3.74Å; H126-A172 WeakPolarHBondContact O-CA 3.23Å; L155-A172 HydrophobicContact CD2-CB 3.61Å; M165-A172 HydrophobicContact CE-CB 4.21Å; A172-F174 HydrophobicContact CB-CE2 3.78Å; A172-F174 HydrophobicContact CB-CZ 4.31Å; A172-A213 CarbonylContact O-C 3.55Å; A172-A213 WeakPolarHBondContact O-CA 3.44Å; A172-L214 HydrophobicContact CB-CB 4.45Å; A172-L214 PolarHBondContact N-O 3.01Å; A172-L214 PolarHBondContact O-N 3.37Å; A172-L216 HydrophobicContact CB-CD1 4.08Å; A172-L216 HydrophobicContact CB-CD2 3.9Å; A172-L216 HydrophobicContact CB-CG 4.14Å
173V97.7Very high91.8Very high0 Ų046.7 Ų46.70%025%0.247CC..EExtended strand (participates in β ladder)trans-114.4121.9177.3-176.70000108.1V125 H126 W133 I136 L171 F210 A213V125-V173 CarbonylContact C-O 3.5Å; V125-V173 WeakPolarHBondContact CA-O 3.28Å; H126-V173 PolarHBondContact N-O 2.81Å; H126-V173 PolarHBondContact O-N 3.25Å; W133-V173 HydrophobicContact CE3-CG2 4.27Å; W133-V173 HydrophobicContact CZ3-CG2 3.82Å; I136-V173 HydrophobicContact CG2-CG2 4.12Å; L171-V173 HydrophobicContact CD1-CG2 4.18Å; L171-V173 HydrophobicContact CD2-CG2 4.25Å; L171-V173 HydrophobicContact CG-CG2 4.09Å; V173-F210 HydrophobicContact CG1-CB 4.41Å; V173-F210 HydrophobicContact CG1-CD1 3.67Å; V173-F210 HydrophobicContact CG1-CD2 3.84Å; V173-F210 HydrophobicContact CG1-CE1 3.8Å; V173-F210 HydrophobicContact CG1-CE2 3.95Å; V173-F210 HydrophobicContact CG1-CG 3.7Å; V173-F210 HydrophobicContact CG1-CZ 3.93Å; V173-A213 HydrophobicContact CG2-CB 4.5Å
174F97.4Very high93Very high6 Ų648.7 Ų48.73%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-98.2141-177.9-66.4-96.4000110E123 A124 V125 L155 A172 F210 T211 R212 L214E123-F174 HydrophobicContact CG-CB 4.07Å; E123-F174 HydrophobicContact CG-CD1 4.03Å; E123-F174 WeakPolarHBondContact OE2-CD1 3.49Å; A124-F174 CarbonylContact O-C 3.46Å; A124-F174 WeakPolarHBondContact O-CA 3.15Å; V125-F174 HydrophobicContact CB-CD1 3.89Å; V125-F174 HydrophobicContact CB-CE1 3.81Å; V125-F174 HydrophobicContact CB-CG 4.49Å; V125-F174 HydrophobicContact CB-CZ 4.31Å; V125-F174 HydrophobicContact CG2-CD1 3.99Å; V125-F174 HydrophobicContact CG2-CD2 4.22Å; V125-F174 HydrophobicContact CG2-CE1 3.75Å; V125-F174 HydrophobicContact CG2-CE2 3.94Å; V125-F174 HydrophobicContact CG2-CG 4.25Å; V125-F174 HydrophobicContact CG2-CZ 3.73Å; L155-F174 HydrophobicContact CD1-CZ 4.03Å; L155-F174 HydrophobicContact CD2-CZ 3.86Å; L155-F174 HydrophobicContact CG-CE1 4.49Å; L155-F174 HydrophobicContact CG-CZ 3.88Å; A172-F174 HydrophobicContact CB-CE2 3.78Å; A172-F174 HydrophobicContact CB-CZ 4.31Å; F174-F210 CarbonylContact O-C 3.55Å; F174-F210 VanDerWaalsContact O-CA 3.25Å; F174-F210 WeakPolarHBondContact O-CA 3.13Å; F174-T211 WeakPolarHBondContact CB-OG1 3.28Å; F174-T211 PolarHBondContact O-N 3.39Å; F174-T211 PolarHBondContact O-OG1 2.89Å; F174-R212 HydrophobicContact CB-CG 3.72Å; F174-R212 WeakPolarHBondContact CB-O 3.33Å; F174-R212 HydrophobicContact CD2-CG 3.73Å; F174-R212 VanDerWaalsContact CD2-NH1 3.3Å; F174-R212 HydrophobicContact CG-CG 3.85Å; F174-R212 PolarHBondContact N-O 3.41Å; F174-L214 HydrophobicContact CD2-CG 4.5Å; F174-L214 HydrophobicContact CE2-CB 4.49Å; F174-L214 HydrophobicContact CE2-CD1 3.63Å; F174-L214 HydrophobicContact CE2-CG 3.89Å; F174-L214 HydrophobicContact CZ-CD1 4.11Å
175I97.9Very high94.2Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-128.4130.5-164.7-64.4151.3000108.6E123 A124 H126 L141 L151 V177 L205 Y209 F210E123-I175 VanDerWaalsContact CA-O 3.26Å; E123-I175 WeakPolarHBondContact CA-O 3.32Å; A124-I175 PolarHBondContact N-O 3.35Å; A124-I175 PolarHBondContact O-N 3.31Å; H126-I175 HydrophobicContact CB-CD1 4.3Å; L141-I175 HydrophobicContact CD1-CD1 3.77Å; L141-I175 HydrophobicContact CD1-CG1 4.38Å; L151-I175 HydrophobicContact CD1-CD1 3.9Å; L151-I175 HydrophobicContact CD2-CD1 3.26Å; L151-I175 HydrophobicContact CG-CD1 4.21Å; I175-V177 HydrophobicContact CG2-CG2 4.32Å; I175-V177 PolarHBondContact O-N 2.77Å; I175-L205 HydrophobicContact CB-CD2 4.3Å; I175-L205 HydrophobicContact CD1-CD2 3.66Å; I175-L205 HydrophobicContact CG1-CD2 3.75Å; I175-L205 HydrophobicContact CG2-CD2 3.57Å; I175-Y209 CarbonylContact C-O 3.52Å; I175-Y209 WeakPolarHBondContact CA-O 3.5Å; I175-F210 HydrophobicContact CG1-CD1 4.36Å
176D97.3Very high94.8Very high50 Ų5051.5 Ų51.527%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-77.497.8167.2-169.9-25.4000109.4S178 R179 A180 Y209 T211D176-S178 PolarHBondContact OD1-N 3.1Å; D176-R179 HydrophobicContact CB-CB 3.94Å; D176-R179 WeakPolarHBondContact OD1-CB 3.43Å; D176-R179 PolarHBondContact OD1-N 3.43Å; D176-R179 WeakPolarHBondContact OD2-CB 3.38Å; D176-A180 WeakPolarHBondContact O-CB 3.3Å; D176-A180 PolarHBondContact O-N 3.14Å; D176-A180 VanDerWaalsContact O-N 3.16Å; D176-Y209 PolarHBondContact N-O 2.69Å; D176-T211 HydrophobicContact CB-CG2 3.73Å
177V97.4Very high95.4Very high0 Ų044.9 Ų44.90%025%0.251CS..Hα-helixtrans-71.4-38.8-177.7173.60000110.5P121 A122 A124 I175 R179 A180 L181 F187 L195P121-V177 HydrophobicContact CG-CG1 4.32Å; P121-V177 HydrophobicContact CG-CG2 4.39Å; P121-V177 WeakPolarHBondContact O-CB 3.34Å; A122-V177 PolarHBondContact O-N 3.08Å; A124-V177 HydrophobicContact CB-CG2 3.55Å; I175-V177 HydrophobicContact CG2-CG2 4.32Å; I175-V177 PolarHBondContact O-N 2.77Å; V177-R179 VanDerWaalsContact C-N 3.34Å; V177-R179 PolarHBondContact O-N 2.81Å; V177-A180 PolarHBondContact O-N 2.94Å; V177-L181 HydrophobicContact CG1-CD1 3.89Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.46Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 2.68Å; V177-F187 HydrophobicContact CG1-CD1 4.29Å; V177-F187 HydrophobicContact CG1-CD2 4.14Å; V177-F187 HydrophobicContact CG1-CE1 4.33Å; V177-F187 HydrophobicContact CG1-CE2 4.19Å; V177-F187 HydrophobicContact CG1-CG 4.19Å; V177-F187 HydrophobicContact CG1-CZ 4.29Å; V177-F187 HydrophobicContact CG2-CE1 4.25Å; V177-F187 HydrophobicContact CG2-CZ 4.47Å; V177-L195 HydrophobicContact CG2-CD2 4.17Å
178S95.3Very high96.1Very high59 Ų5938.2 Ų38.241%0.41322%0.222SC..Hα-helixtrans-60.4-44.8178.8-59.20000111.5D176 A182D176-S178 PolarHBondContact OD1-N 3.1Å; S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 2.95Å
179R96.5Very high96.3Very high124 Ų12435.3 Ų35.347%0.46820%0.204SC..Hα-helixtrans-66.2-41.8176.5-175179.3-178.1177.72.4112.1D176 V177 A182 D183 K208 Y209D176-R179 HydrophobicContact CB-CB 3.94Å; D176-R179 WeakPolarHBondContact OD1-CB 3.43Å; D176-R179 PolarHBondContact OD1-N 3.43Å; D176-R179 WeakPolarHBondContact OD2-CB 3.38Å; V177-R179 VanDerWaalsContact C-N 3.34Å; V177-R179 PolarHBondContact O-N 2.81Å; R179-A182 PolarHBondContact O-N 2.94Å; R179-D183 PolarHBondContact O-N 3.47Å; R179-K208 PolarHBondContact NH1-O 2.77Å; R179-K208 VanDerWaalsContact NH1-O 3.08Å; R179-Y209 HydrophobicContact CG-CD1 4.14Å; R179-Y209 HydrophobicContact CG-CE1 4.34Å
180A97.7Very high96.1Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-63.7-42.5177.800000111.9D176 V177 D183 G184 I185 F187 L205 Y209D176-A180 WeakPolarHBondContact O-CB 3.3Å; D176-A180 PolarHBondContact O-N 3.14Å; D176-A180 VanDerWaalsContact O-N 3.16Å; V177-A180 PolarHBondContact O-N 2.94Å; A180-D183 CarbonylContact O-C 3.6Å; A180-D183 PolarHBondContact O-N 2.92Å; A180-G184 PolarHBondContact O-N 2.95Å; A180-I185 HydrophobicContact CB-CB 4.13Å; A180-I185 HydrophobicContact CB-CG1 4.37Å; A180-I185 VanDerWaalsContact O-CB 3.3Å; A180-I185 WeakPolarHBondContact O-CB 3.39Å; A180-I185 PolarHBondContact O-N 2.75Å; A180-F187 HydrophobicContact CB-CE2 3.61Å; A180-F187 HydrophobicContact CB-CZ 3.77Å; A180-L205 HydrophobicContact CB-CD1 4.21Å; A180-Y209 HydrophobicContact CB-CD1 3.86Å; A180-Y209 HydrophobicContact CB-CD2 4.37Å; A180-Y209 HydrophobicContact CB-CE1 4.04Å; A180-Y209 HydrophobicContact CB-CG 4.03Å
181L97.1Very high95.6Very high25 Ų2538 Ų3813%0.13122%0.215CC..Hα-helixtrans-60.9-44.1173.3-78.5165.8000112.1V113 C120 V177 D183 G184 I185 F187V113-L181 HydrophobicContact CG1-CD1 4.14Å; C120-L181 VanDerWaalsContact SG-CD1 3.53Å; V177-L181 HydrophobicContact CG1-CD1 3.89Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.46Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 2.68Å; L181-D183 PolarHBondContact O-N 3.47Å; L181-G184 PolarHBondContact O-N 2.95Å; L181-I185 WeakPolarHBondContact CD2-O 3.23Å; L181-F187 HydrophobicContact CD2-CD2 3.79Å; L181-F187 HydrophobicContact CG-CD2 3.77Å; L181-F187 HydrophobicContact CG-CE2 4.24Å
182A96Very high94.7Very high84 Ų8439.7 Ų39.769%0.69422%0.224SC*.Hα-helixtrans-62.1-31.8177.700000112.7S178 R179 G184S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 2.95Å; R179-A182 PolarHBondContact O-N 2.94Å; A182-G184 PolarHBondContact O-N 2.91Å
183D97.1Very high94.1Very high81 Ų8142.1 Ų42.143%0.43325%0.25SC..THydrogen-bonded Turntrans-83.45.5174.5-76.86.6000113R179 A180 L181 K208 Y209R179-D183 PolarHBondContact O-N 3.47Å; A180-D183 CarbonylContact O-C 3.6Å; A180-D183 PolarHBondContact O-N 2.92Å; L181-D183 PolarHBondContact O-N 3.47Å; D183-K208 WeakPolarHBondContact OD2-CE 3.41Å; D183-K208 IonicContact OD2-NZ 2.63Å; D183-K208 PolarHBondContact OD2-NZ 3.36Å; D183-Y209 HydrophobicContact CB-CE1 3.97Å; D183-Y209 WeakPolarHBondContact CB-OH 3.28Å; D183-Y209 VanDerWaalsContact OD2-CE1 3.3Å; D183-Y209 WeakPolarHBondContact OD2-CE1 3.32Å; D183-Y209 PolarHBondContact OD2-OH 3.49Å
184G96.6Very high93.6Very high56 Ų5643 Ų4358%0.57725%0.254SS*.THydrogen-bonded Turntrans87.11717500000115.6A180 L181 A182A180-G184 PolarHBondContact O-N 2.95Å; L181-G184 PolarHBondContact O-N 2.95Å; A182-G184 PolarHBondContact O-N 2.91Å
185I97.9Very high93.4Very high11 Ų1142.7 Ų42.76%0.05625%0.253CS..  trans-85.2118.8173-55.7-63.1000109.6A180 L181 F187 T197 D200 L205 Y209A180-I185 HydrophobicContact CB-CB 4.13Å; A180-I185 HydrophobicContact CB-CG1 4.37Å; A180-I185 VanDerWaalsContact O-CB 3.3Å; A180-I185 WeakPolarHBondContact O-CB 3.39Å; A180-I185 PolarHBondContact O-N 2.75Å; L181-I185 WeakPolarHBondContact CD2-O 3.23Å; I185-F187 HydrophobicContact CB-CE2 4.15Å; I185-F187 HydrophobicContact CG2-CD2 4.42Å; I185-F187 HydrophobicContact CG2-CE2 3.78Å; I185-F187 HydrophobicContact CG2-CZ 4.2Å; I185-F187 VanDerWaalsContact O-CD2 3.27Å; I185-F187 WeakPolarHBondContact O-CD2 3.24Å; I185-F187 WeakPolarHBondContact O-CE2 3.25Å; I185-T197 VanDerWaalsContact CG2-OG1 3.26Å; I185-T197 WeakPolarHBondContact CG2-OG1 3.34Å; I185-D200 HydrophobicContact CD1-CB 3.92Å; I185-L205 HydrophobicContact CG2-CD1 4.07Å; I185-Y209 HydrophobicContact CG1-CE2 4.13Å
186D96.6Very high93.3Very high106 Ų10642.8 Ų42.857%0.56725%0.254SS*.  trans-76.3141.6179-65.6-40.9000112.6F188 T197D186-F188 HydrophobicContact CB-CE2 3.63Å; D186-F188 HydrophobicContact CB-CZ 3.81Å; D186-T197 WeakPolarHBondContact O-CB 3.33Å; D186-T197 PolarHBondContact O-OG1 3.49Å
187F96.9Very high93.2Very high2 Ų240.4 Ų40.41%0.00924%0.241CC..  trans-125.3150.4172.1-69.2-100.8000110.6V113 L151 V177 A180 L181 I185 L195 L196 T197 L205V113-F187 HydrophobicContact CB-CB 3.91Å; V113-F187 WeakPolarHBondContact CB-O 3.28Å; V113-F187 HydrophobicContact CG2-CB 3.96Å; V113-F187 PolarHBondContact N-O 2.87Å; L151-F187 HydrophobicContact CD1-CD1 4.16Å; L151-F187 HydrophobicContact CD1-CE1 3.59Å; V177-F187 HydrophobicContact CG1-CD1 4.29Å; V177-F187 HydrophobicContact CG1-CD2 4.14Å; V177-F187 HydrophobicContact CG1-CE1 4.33Å; V177-F187 HydrophobicContact CG1-CE2 4.19Å; V177-F187 HydrophobicContact CG1-CG 4.19Å; V177-F187 HydrophobicContact CG1-CZ 4.29Å; V177-F187 HydrophobicContact CG2-CE1 4.25Å; V177-F187 HydrophobicContact CG2-CZ 4.47Å; A180-F187 HydrophobicContact CB-CE2 3.61Å; A180-F187 HydrophobicContact CB-CZ 3.77Å; L181-F187 HydrophobicContact CD2-CD2 3.79Å; L181-F187 HydrophobicContact CG-CD2 3.77Å; L181-F187 HydrophobicContact CG-CE2 4.24Å; I185-F187 HydrophobicContact CB-CE2 4.15Å; I185-F187 HydrophobicContact CG2-CD2 4.42Å; I185-F187 HydrophobicContact CG2-CE2 3.78Å; I185-F187 HydrophobicContact CG2-CZ 4.2Å; I185-F187 VanDerWaalsContact O-CD2 3.27Å; I185-F187 WeakPolarHBondContact O-CD2 3.24Å; I185-F187 WeakPolarHBondContact O-CE2 3.25Å; F187-L195 HydrophobicContact CB-CD1 4.11Å; F187-L195 HydrophobicContact CD1-CD1 4.27Å; F187-L195 HydrophobicContact CD1-CD2 4.03Å; F187-L195 HydrophobicContact CD1-CG 4.05Å; F187-L196 CarbonylContact C-O 3.56Å; F187-L196 VanDerWaalsContact CA-O 3.26Å; F187-L196 WeakPolarHBondContact CA-O 3.25Å; F187-T197 HydrophobicContact CD1-CG2 4.21Å; F187-T197 HydrophobicContact CE1-CG2 3.81Å; F187-T197 HydrophobicContact CZ-CG2 4.32Å; F187-L205 HydrophobicContact CZ-CD1 4.3Å
188F94.8Very high93.1Very high47 Ų4742.1 Ų42.121%0.20626%0.256CS..EExtended strand (participates in β ladder)trans-139.3144.4-178.4-54.6-92.2000111.3L110 K111 P112 D186 L196L110-F188 HydrophobicContact CB-CB 3.94Å; L110-F188 HydrophobicContact CB-CD1 4.07Å; L110-F188 HydrophobicContact CB-CG 4.21Å; L110-F188 HydrophobicContact CD1-CB 4.21Å; L110-F188 HydrophobicContact CD1-CG 4.33Å; K111-F188 CarbonylContact O-C 3.5Å; K111-F188 VanDerWaalsContact O-CA 3.24Å; K111-F188 WeakPolarHBondContact O-CA 3.49Å; P112-F188 HydrophobicContact CB-CD1 4.15Å; P112-F188 HydrophobicContact CB-CE1 4.12Å; D186-F188 HydrophobicContact CB-CE2 3.63Å; D186-F188 HydrophobicContact CB-CZ 3.81Å; F188-L196 PolarHBondContact N-O 3Å; F188-L196 PolarHBondContact O-N 3.04Å
189W92.4Very high93.1Very high39 Ų3940 Ų4015%0.14824%0.242CC..EExtended strand (participates in β ladder)trans-88.7126.7164.6-69.7116.7000109.9K111 V113 D119 P121 T153 G193 L195K111-W189 HydrophobicContact CB-CB 4.29Å; K111-W189 PolarHBondContact N-O 2.82Å; K111-W189 PolarHBondContact O-N 3.47Å; V113-W189 HydrophobicContact CG2-CG 4.2Å; D119-W189 WeakPolarHBondContact O-CZ2 3.42Å; D119-W189 PolarHBondContact O-NE1 3.39Å; P121-W189 HydrophobicContact CG-CH2 4.34Å; P121-W189 HydrophobicContact CG-CZ2 3.98Å; T153-W189 HydrophobicContact CG2-CH2 3.52Å; T153-W189 HydrophobicContact CG2-CZ2 4.46Å; T153-W189 HydrophobicContact CG2-CZ3 4.29Å; W189-G193 WeakPolarHBondContact CZ3-O 3.42Å; W189-L195 HydrophobicContact CD2-CD1 4.09Å; W189-L195 HydrophobicContact CE3-CB 4.07Å; W189-L195 HydrophobicContact CE3-CD1 4.17Å; W189-L195 HydrophobicContact CH2-CB 3.91Å; W189-L195 HydrophobicContact CH2-CD1 4Å; W189-L195 HydrophobicContact CH2-CG 4.42Å; W189-L195 HydrophobicContact CZ2-CD1 3.94Å; W189-L195 HydrophobicContact CZ3-CB 3.58Å; W189-L195 HydrophobicContact CZ3-CD1 4.14Å; W189-L195 HydrophobicContact CZ3-CG 4.44Å
190S88Confident93.1Very high7 Ų736.1 Ų36.15%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-73.7161.4162.367.90000110.8N192 G193 V194S190-N192 WeakPolarHBondContact CB-OD1 3.33Å; S190-N192 PolarHBondContact O-N 3.23Å; S190-N192 VanDerWaalsContact O-N 3.12Å; S190-N192 PolarHBondContact OG-OD1 3.48Å; S190-G193 PolarHBondContact O-N 2.86Å; S190-V194 PolarHBondContact N-O 2.91Å; S190-V194 WeakPolarHBondContact OG-CA 3.48Å; S190-V194 VanDerWaalsContact OG-CB 3.32Å; S190-V194 WeakPolarHBondContact OG-CB 3.46Å; S190-V194 PolarHBondContact OG-N 3.02Å; S190-V194 PolarHBondContact OG-O 3.28Å
191E83.4Confident93Very high100 Ų10041.5 Ų41.547%0.46728%0.276SS..THydrogen-bonded Turntrans-54.9-30.6176-173.2170.2-171.300113.7K83 R96K83-E191 WeakPolarHBondContact CD-OE1 3.5Å; K83-E191 WeakPolarHBondContact CD-OE2 3.3Å; K83-E191 VanDerWaalsContact CE-OE1 3.3Å; K83-E191 WeakPolarHBondContact CE-OE1 3.35Å; K83-E191 IonicContact NZ-OE1 3.94Å; K83-E191 PolarHBondContact NZ-OE1 3.17Å; K83-E191 IonicContact NZ-OE2 3.75Å; K83-E191 PolarHBondContact NZ-OE2 2.86Å; R96-E191 IonicContact NH2-OE2 3.66Å; R96-E191 PolarHBondContact NH2-OE2 3.01Å; R96-E191 VanDerWaalsContact NH2-OE2 3.11Å
192N78.8Confident92.9Very high36 Ų3646.8 Ų46.819%0.19330%0.3CS..THydrogen-bonded Turntrans-94.821.3177.172.7-32.2000114.1K79 Q80 N98 S190 V194K79-N192 PolarHBondContact O-ND2 2.95Å; Q80-N192 HydrophobicContact CB-CB 4.15Å; Q80-N192 PolarHBondContact O-ND2 3.12Å; N98-N192 HydrophobicContact CB-CB 4.43Å; S190-N192 WeakPolarHBondContact CB-OD1 3.33Å; S190-N192 PolarHBondContact O-N 3.23Å; S190-N192 VanDerWaalsContact O-N 3.12Å; S190-N192 PolarHBondContact OG-OD1 3.48Å; N192-V194 PolarHBondContact O-N 2.91Å
193G83.2Confident92.9Very high52 Ų5242.9 Ų42.954%0.53627%0.268SS..SBendtrans73.124171.400000114.9W189 S190W189-G193 WeakPolarHBondContact CZ3-O 3.42Å; S190-G193 PolarHBondContact O-N 2.86Å
194V87.6Confident92.9Very high17 Ų1741.3 Ų41.310%0.10326%0.257CS..  trans-93.3130.3173.7-176.70000108.8S190 N192 L196S190-V194 PolarHBondContact N-O 2.91Å; S190-V194 WeakPolarHBondContact OG-CA 3.48Å; S190-V194 VanDerWaalsContact OG-CB 3.32Å; S190-V194 WeakPolarHBondContact OG-CB 3.46Å; S190-V194 PolarHBondContact OG-N 3.02Å; S190-V194 PolarHBondContact OG-O 3.28Å; N192-V194 PolarHBondContact O-N 2.91Å; V194-L196 HydrophobicContact CG1-CD2 3.97Å
195L93.4Very high93Very high0 Ų038.7 Ų38.70%023%0.229CC..EExtended strand (participates in β ladder)trans-80.3131.1174.7-172.870.9000109.4V113 P121 A124 L151 V177 F187 W189V113-L195 HydrophobicContact CG2-CD1 3.8Å; P121-L195 HydrophobicContact CG-CD1 4.43Å; P121-L195 HydrophobicContact CG-CD2 3.8Å; A124-L195 HydrophobicContact CB-CD2 3.6Å; L151-L195 HydrophobicContact CB-CB 4.03Å; L151-L195 HydrophobicContact CB-CD2 4.13Å; L151-L195 HydrophobicContact CB-CG 4.32Å; L151-L195 HydrophobicContact CD1-CD2 4.06Å; L151-L195 HydrophobicContact CD1-CG 4.47Å; L151-L195 PolarHBondContact N-O 3.38Å; L151-L195 PolarHBondContact O-N 2.91Å; V177-L195 HydrophobicContact CG2-CD2 4.17Å; F187-L195 HydrophobicContact CB-CD1 4.11Å; F187-L195 HydrophobicContact CD1-CD1 4.27Å; F187-L195 HydrophobicContact CD1-CD2 4.03Å; F187-L195 HydrophobicContact CD1-CG 4.05Å; W189-L195 HydrophobicContact CD2-CD1 4.09Å; W189-L195 HydrophobicContact CE3-CB 4.07Å; W189-L195 HydrophobicContact CE3-CD1 4.17Å; W189-L195 HydrophobicContact CH2-CB 3.91Å; W189-L195 HydrophobicContact CH2-CD1 4Å; W189-L195 HydrophobicContact CH2-CG 4.42Å; W189-L195 HydrophobicContact CZ2-CD1 3.94Å; W189-L195 HydrophobicContact CZ3-CB 3.58Å; W189-L195 HydrophobicContact CZ3-CD1 4.14Å; W189-L195 HydrophobicContact CZ3-CG 4.44Å
196L94.4Very high93Very high2 Ų241 Ų411%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-127.9144.1-174.7-58.9176.7000110L110 H148 I149 H150 F187 F188 V194L110-L196 HydrophobicContact CD1-CD1 4.29Å; L110-L196 HydrophobicContact CD2-CD1 3.68Å; H148-L196 HydrophobicContact CB-CB 4.05Å; H148-L196 HydrophobicContact CB-CD2 4.24Å; I149-L196 WeakPolarHBondContact O-CA 3.28Å; H150-L196 WeakPolarHBondContact CD2-CD2 3.32Å; H150-L196 WeakPolarHBondContact NE2-CD2 3.36Å; F187-L196 CarbonylContact C-O 3.56Å; F187-L196 VanDerWaalsContact CA-O 3.26Å; F187-L196 WeakPolarHBondContact CA-O 3.25Å; F188-L196 PolarHBondContact N-O 3Å; F188-L196 PolarHBondContact O-N 3.04Å; V194-L196 HydrophobicContact CG1-CD2 3.97Å
197T96.1Very high93.1Very high0 Ų037.6 Ų37.60%023%0.225CC..EExtended strand (participates in β ladder)trans-140.7141.3165.8177.80000109.5H148 I149 L151 I185 D186 F187 G199H148-T197 CarbonylContact C-O 3.45Å; H148-T197 VanDerWaalsContact CA-O 3.28Å; H148-T197 WeakPolarHBondContact CA-O 3.36Å; H148-T197 WeakPolarHBondContact CB-O 3.18Å; I149-T197 HydrophobicContact CB-CG2 3.96Å; I149-T197 HydrophobicContact CD1-CG2 4.37Å; I149-T197 PolarHBondContact N-O 2.83Å; I149-T197 PolarHBondContact O-N 3.45Å; L151-T197 HydrophobicContact CD1-CG2 4.28Å; I185-T197 VanDerWaalsContact CG2-OG1 3.26Å; I185-T197 WeakPolarHBondContact CG2-OG1 3.34Å; D186-T197 WeakPolarHBondContact O-CB 3.33Å; D186-T197 PolarHBondContact O-OG1 3.49Å; F187-T197 HydrophobicContact CD1-CG2 4.21Å; F187-T197 HydrophobicContact CE1-CG2 3.81Å; F187-T197 HydrophobicContact CZ-CG2 4.32Å; T197-G199 PolarHBondContact O-N 3.3Å; T197-G199 PolarHBondContact OG1-N 3.06Å; T197-G199 VanDerWaalsContact OG1-N 3.09Å
198A95.1Very high93.1Very high37 Ų3742 Ų4231%0.30625%0.245SC..  trans-69.3-20.2171.500000111.4R143 G203R143-A198 WeakPolarHBondContact CD-O 3.37Å; A198-G203 CarbonylContact O-C 3.53Å; A198-G203 VanDerWaalsContact O-CA 3.23Å; A198-G203 WeakPolarHBondContact O-CA 3.41Å
199G96.3Very high93.2Very high13 Ų1340.2 Ų40.213%0.13424%0.236CC..  trans81.7-166.5-165.100000111.5T197 K204T197-G199 PolarHBondContact O-N 3.3Å; T197-G199 PolarHBondContact OG1-N 3.06Å; T197-G199 VanDerWaalsContact OG1-N 3.09Å; G199-K204 CarbonylContact C-O 3.53Å; G199-K204 WeakPolarHBondContact CA-O 3.46Å
200D96.4Very high93.5Very high44 Ų4439.1 Ų39.124%0.23523%0.233CC..SBendtrans-71.6-169.1172.363.118.4000112.3I185 E202 G203 K204I185-D200 HydrophobicContact CD1-CB 3.92Å; D200-E202 PolarHBondContact O-N 3.35Å; D200-E202 VanDerWaalsContact O-N 3.13Å; D200-E202 WeakPolarHBondContact OD1-CA 3.27Å; D200-E202 WeakPolarHBondContact OD1-CB 3.23Å; D200-E202 PolarHBondContact OD1-N 3.28Å; D200-G203 WeakPolarHBondContact O-CA 3.46Å; D200-G203 PolarHBondContact O-N 2.9Å; D200-G203 PolarHBondContact OD1-N 3.32Å; D200-G203 VanDerWaalsContact OD1-N 3.17Å; D200-K204 VanDerWaalsContact CG-O 3.25Å; D200-K204 PolarHBondContact N-O 2.98Å; D200-K204 PolarHBondContact OD1-N 3.26Å
201A94.7Very high93.9Very high113 Ų11341.6 Ų41.693%0.93425%0.248SC*.THydrogen-bonded Turntrans-59.4-22.5177.800000114G203A201-G203 VanDerWaalsContact C-N 3.34Å
202E95.3Very high94.6Very high136 Ų13640.5 Ų40.564%0.63624%0.239SC*.THydrogen-bonded Turntrans-91.92.4174.2-64-174.8-153.300112.6D200 K204D200-E202 PolarHBondContact O-N 3.35Å; D200-E202 VanDerWaalsContact O-N 3.13Å; D200-E202 WeakPolarHBondContact OD1-CA 3.27Å; D200-E202 WeakPolarHBondContact OD1-CB 3.23Å; D200-E202 PolarHBondContact OD1-N 3.28Å; E202-K204 HydrophobicContact CB-CD 4.16Å; E202-K204 HydrophobicContact CB-CG 4.3Å; E202-K204 IonicContact OE2-NZ 2.67Å; E202-K204 PolarHBondContact OE2-NZ 3.49Å
203G96.1Very high95.4Very high2 Ų238.8 Ų38.82%0.02123%0.23CC..SBendtrans71.331.2-175.300000113R143 A198 D200 A201R143-G203 PolarHBondContact N-O 3.33Å; A198-G203 CarbonylContact O-C 3.53Å; A198-G203 VanDerWaalsContact O-CA 3.23Å; A198-G203 WeakPolarHBondContact O-CA 3.41Å; D200-G203 WeakPolarHBondContact O-CA 3.46Å; D200-G203 PolarHBondContact O-N 2.9Å; D200-G203 PolarHBondContact OD1-N 3.32Å; D200-G203 VanDerWaalsContact OD1-N 3.17Å; A201-G203 VanDerWaalsContact C-N 3.34Å
204K97.7Very high96.1Very high48 Ų4836.6 Ų36.621%0.20921%0.206CC..EExtended strand (participates in β ladder)trans-118.4152.5-176.1-68175-175.7160.90112.8L141 G199 D200 E202 L206L141-K204 CarbonylContact O-C 3.58Å; L141-K204 WeakPolarHBondContact O-CA 3.46Å; G199-K204 CarbonylContact C-O 3.53Å; G199-K204 WeakPolarHBondContact CA-O 3.46Å; D200-K204 VanDerWaalsContact CG-O 3.25Å; D200-K204 PolarHBondContact N-O 2.98Å; D200-K204 PolarHBondContact OD1-N 3.26Å; E202-K204 HydrophobicContact CB-CD 4.16Å; E202-K204 HydrophobicContact CB-CG 4.3Å; E202-K204 IonicContact OE2-NZ 2.67Å; E202-K204 PolarHBondContact OE2-NZ 3.49Å; K204-L206 HydrophobicContact CB-CD2 4.46Å
205L97.9Very high96.5Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-112.6106.4165-168.475.6000108G140 L141 I149 I175 A180 I185 F187 Y209G140-L205 CarbonylContact C-O 3.57Å; G140-L205 WeakPolarHBondContact CA-O 3.33Å; L141-L205 HydrophobicContact CB-CB 4.29Å; L141-L205 HydrophobicContact CD1-CD2 4.4Å; L141-L205 PolarHBondContact N-O 2.65Å; L141-L205 PolarHBondContact O-N 2.67Å; I149-L205 HydrophobicContact CD1-CB 3.8Å; I175-L205 HydrophobicContact CB-CD2 4.3Å; I175-L205 HydrophobicContact CD1-CD2 3.66Å; I175-L205 HydrophobicContact CG1-CD2 3.75Å; I175-L205 HydrophobicContact CG2-CD2 3.57Å; A180-L205 HydrophobicContact CB-CD1 4.21Å; I185-L205 HydrophobicContact CG2-CD1 4.07Å; F187-L205 HydrophobicContact CZ-CD1 4.3Å; L205-Y209 HydrophobicContact CD1-CD2 3.65Å; L205-Y209 HydrophobicContact CD1-CE2 4.09Å; L205-Y209 HydrophobicContact CD1-CG 4.38Å; L205-Y209 HydrophobicContact CG-CD2 3.9Å
206L98Very high96.4Very high61 Ų6140.5 Ų40.532%0.31922%0.223SC..  trans-66.8153.7-169.5-61.6179.5000113.2K204 K208 Y209K204-L206 HydrophobicContact CB-CD2 4.46Å; L206-K208 HydrophobicContact CB-CG 4.15Å; L206-K208 PolarHBondContact O-N 3.28Å; L206-Y209 HydrophobicContact CB-CD2 4.31Å; L206-Y209 HydrophobicContact CB-CE2 4.25Å; L206-Y209 WeakPolarHBondContact O-CD2 3.47Å; L206-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 VanDerWaalsContact O-N 3.1Å
207P97.8Very high96.2Very high33 Ų3345.5 Ų45.521%0.21425%0.245CC..G310 helixtrans-58-24.3-179-2635.4000115.1Q137 Y209 F210Q137-P207 WeakPolarHBondContact O-CB 3.47Å; Q137-P207 WeakPolarHBondContact O-CG 3.49Å; P207-Y209 PolarHBondContact O-N 2.89Å; P207-F210 HydrophobicContact CB-CD2 4.05Å; P207-F210 HydrophobicContact CB-CE2 4.03Å; P207-F210 HydrophobicContact CG-CE2 4.31Å; P207-F210 WeakPolarHBondContact O-CB 3.47Å; P207-F210 WeakPolarHBondContact O-CG 3.25Å; P207-F210 PolarHBondContact O-N 2.84Å
208K97.5Very high95.8Very high96 Ų9651.3 Ų51.342%0.41728%0.283SS..G310 helixtrans-59.5-17.917770.4175.9-170.3163.60113.9R179 D183 L206R179-K208 PolarHBondContact NH1-O 2.77Å; R179-K208 VanDerWaalsContact NH1-O 3.08Å; D183-K208 WeakPolarHBondContact OD2-CE 3.41Å; D183-K208 IonicContact OD2-NZ 2.63Å; D183-K208 PolarHBondContact OD2-NZ 3.36Å; L206-K208 HydrophobicContact CB-CG 4.15Å; L206-K208 PolarHBondContact O-N 3.28Å
209Y98Very high95.4Very high9 Ų954.7 Ų54.74%0.03530%0.3CS..G310 helixtrans-92.5-3.4175.5-53.6-57.9000113.1I175 D176 R179 A180 D183 I185 L205 L206 P207I175-Y209 CarbonylContact C-O 3.52Å; I175-Y209 WeakPolarHBondContact CA-O 3.5Å; D176-Y209 PolarHBondContact N-O 2.69Å; R179-Y209 HydrophobicContact CG-CD1 4.14Å; R179-Y209 HydrophobicContact CG-CE1 4.34Å; A180-Y209 HydrophobicContact CB-CD1 3.86Å; A180-Y209 HydrophobicContact CB-CD2 4.37Å; A180-Y209 HydrophobicContact CB-CE1 4.04Å; A180-Y209 HydrophobicContact CB-CG 4.03Å; D183-Y209 HydrophobicContact CB-CE1 3.97Å; D183-Y209 WeakPolarHBondContact CB-OH 3.28Å; D183-Y209 VanDerWaalsContact OD2-CE1 3.3Å; D183-Y209 WeakPolarHBondContact OD2-CE1 3.32Å; D183-Y209 PolarHBondContact OD2-OH 3.49Å; I185-Y209 HydrophobicContact CG1-CE2 4.13Å; L205-Y209 HydrophobicContact CD1-CD2 3.65Å; L205-Y209 HydrophobicContact CD1-CE2 4.09Å; L205-Y209 HydrophobicContact CD1-CG 4.38Å; L205-Y209 HydrophobicContact CG-CD2 3.9Å; L206-Y209 HydrophobicContact CB-CD2 4.31Å; L206-Y209 HydrophobicContact CB-CE2 4.25Å; L206-Y209 WeakPolarHBondContact O-CD2 3.47Å; L206-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 VanDerWaalsContact O-N 3.1Å; P207-Y209 PolarHBondContact O-N 2.89Å
210F98Very high95.2Very high16 Ų1661 Ų617%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-78.6126.3179.8-59.2-12.9000110.2I136 L141 V173 F174 I175 P207 L225I136-F210 HydrophobicContact CG2-CE2 3.78Å; I136-F210 HydrophobicContact CG2-CZ 3.9Å; I136-F210 WeakPolarHBondContact O-CE2 3.2Å; L141-F210 HydrophobicContact CD1-CE1 4.19Å; L141-F210 HydrophobicContact CG-CE1 4.04Å; L141-F210 HydrophobicContact CG-CZ 3.92Å; V173-F210 HydrophobicContact CG1-CB 4.41Å; V173-F210 HydrophobicContact CG1-CD1 3.67Å; V173-F210 HydrophobicContact CG1-CD2 3.84Å; V173-F210 HydrophobicContact CG1-CE1 3.8Å; V173-F210 HydrophobicContact CG1-CE2 3.95Å; V173-F210 HydrophobicContact CG1-CG 3.7Å; V173-F210 HydrophobicContact CG1-CZ 3.93Å; F174-F210 CarbonylContact O-C 3.55Å; F174-F210 VanDerWaalsContact O-CA 3.25Å; F174-F210 WeakPolarHBondContact O-CA 3.13Å; I175-F210 HydrophobicContact CG1-CD1 4.36Å; P207-F210 HydrophobicContact CB-CD2 4.05Å; P207-F210 HydrophobicContact CB-CE2 4.03Å; P207-F210 HydrophobicContact CG-CE2 4.31Å; P207-F210 WeakPolarHBondContact O-CB 3.47Å; P207-F210 WeakPolarHBondContact O-CG 3.25Å; P207-F210 PolarHBondContact O-N 2.84Å; F210-L225 HydrophobicContact CB-CD1 4.06Å; F210-L225 HydrophobicContact CB-CD2 3.98Å; F210-L225 HydrophobicContact CD2-CD2 4.42Å; F210-L225 WeakPolarHBondContact O-CD1 3.08Å
211T96.9Very high95.1Very high59 Ų5961.6 Ų61.636%0.36233%0.327SS..EExtended strand (participates in β ladder)trans-86.9-36.3174.6550000111.1E123 F174 D176E123-T211 WeakPolarHBondContact OE1-CB 3.44Å; E123-T211 PolarHBondContact OE1-OG1 2.61Å; F174-T211 WeakPolarHBondContact CB-OG1 3.28Å; F174-T211 PolarHBondContact O-N 3.39Å; F174-T211 PolarHBondContact O-OG1 2.89Å; D176-T211 HydrophobicContact CB-CG2 3.73Å
212R96.7Very high95.2Very high76 Ų7662.4 Ų62.429%0.28731%0.314SS..EExtended strand (participates in β ladder)trans-167.3158.8177.355.1-169.6174.986.81.8111.4E123 F174E123-R212 IonicContact OE1-NE 3.37Å; E123-R212 IonicContact OE2-CZ 2.93Å; E123-R212 IonicContact OE2-NE 3.09Å; E123-R212 IonicContact OE2-NH2 2.75Å; E123-R212 PolarHBondContact OE2-NH2 3.1Å; F174-R212 HydrophobicContact CB-CG 3.72Å; F174-R212 WeakPolarHBondContact CB-O 3.33Å; F174-R212 HydrophobicContact CD2-CG 3.73Å; F174-R212 VanDerWaalsContact CD2-NH1 3.3Å; F174-R212 HydrophobicContact CG-CG 3.85Å; F174-R212 PolarHBondContact N-O 3.41Å
213A97.3Very high95.3Very high0 Ų057.1 Ų57.10%029%0.29CS..EExtended strand (participates in β ladder)trans-126.9141.8169.800000110.7W133 A172 V173 I222 L223 L225W133-A213 HydrophobicContact CE3-CB 4.23Å; W133-A213 HydrophobicContact CH2-CB 3.22Å; W133-A213 HydrophobicContact CZ2-CB 3.77Å; W133-A213 HydrophobicContact CZ3-CB 3.48Å; W133-A213 VanDerWaalsContact CZ3-CB 3.48Å; A172-A213 CarbonylContact O-C 3.55Å; A172-A213 WeakPolarHBondContact O-CA 3.44Å; V173-A213 HydrophobicContact CG2-CB 4.5Å; A213-I222 WeakPolarHBondContact O-CA 3.46Å; A213-L223 HydrophobicContact CB-CB 4.04Å; A213-L223 HydrophobicContact CB-CD1 4.47Å; A213-L223 PolarHBondContact O-N 3.13Å; A213-L225 HydrophobicContact CB-CD2 4.09Å
214L96.4Very high95.1Very high7 Ų761.3 Ų61.34%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-125.8127.6-178.5-61.5-178.2000110.6L171 A172 F174 L216 C221 I222L171-L214 CarbonylContact C-O 3.5Å; L171-L214 WeakPolarHBondContact CA-O 3.43Å; A172-L214 HydrophobicContact CB-CB 4.45Å; A172-L214 PolarHBondContact N-O 3.01Å; A172-L214 PolarHBondContact O-N 3.37Å; F174-L214 HydrophobicContact CD2-CG 4.5Å; F174-L214 HydrophobicContact CE2-CB 4.49Å; F174-L214 HydrophobicContact CE2-CD1 3.63Å; F174-L214 HydrophobicContact CE2-CG 3.89Å; F174-L214 HydrophobicContact CZ-CD1 4.11Å; L214-L216 HydrophobicContact CB-CD2 4.21Å; L214-C221 WeakPolarHBondContact CA-O 3.4Å; L214-I222 HydrophobicContact CD2-CB 4.4Å; L214-I222 HydrophobicContact CD2-CG1 3.7Å
215K95.8Very high94.9Very high60 Ų6062 Ų6226%0.26132%0.322SS..EExtended strand (participates in β ladder)trans-72.2127.2154.2179178.6176178.90107.3L130 D170 K217 R220 C221 L223L130-K215 HydrophobicContact CD1-CB 4.32Å; L130-K215 HydrophobicContact CD1-CG 4.36Å; L130-K215 HydrophobicContact CD2-CD 3.77Å; L130-K215 HydrophobicContact CD2-CG 4.11Å; D170-K215 CarbonylContact O-C 3.6Å; D170-K215 WeakPolarHBondContact O-CA 3.43Å; K215-K217 WeakPolarHBondContact CE-O 3.49Å; K215-K217 WeakPolarHBondContact CG-O 3.42Å; K215-R220 WeakPolarHBondContact O-CA 3.35Å; K215-C221 PolarHBondContact N-O 3.5Å; K215-C221 PolarHBondContact O-N 3.34Å; K215-C221 VanDerWaalsContact O-N 3.11Å; K215-L223 HydrophobicContact CB-CD1 4.39Å; K215-L223 HydrophobicContact CB-CD2 4.3Å; K215-L223 HydrophobicContact CB-CG 4.36Å
216L92.4Very high94Very high39 Ų3970.9 Ų70.920%0.20436%0.364CS..  trans-93.7-28.7-175.5-60.5176.3000113.1L155 M165 D170 A172 L214L155-L216 HydrophobicContact CD1-CD2 4.34Å; L155-L216 HydrophobicContact CD2-CD2 4.23Å; M165-L216 HydrophobicContact CE-CD1 4.15Å; D170-L216 PolarHBondContact O-N 3.05Å; A172-L216 HydrophobicContact CB-CD1 4.08Å; A172-L216 HydrophobicContact CB-CD2 3.9Å; A172-L216 HydrophobicContact CB-CG 4.14Å; L214-L216 HydrophobicContact CB-CD2 4.21Å
217K89.5Confident93.7Very high107 Ų10771.4 Ų71.447%0.46537%0.366SS..SBendtrans-141.8153.2-174.6-61.3-176.4-170.1175.60111K167 D170 K215K167-K217 PolarHBondContact O-NZ 3.05Å; K167-K217 VanDerWaalsContact O-NZ 3.09Å; D170-K217 HydrophobicContact CB-CB 4.32Å; K215-K217 WeakPolarHBondContact CE-O 3.49Å; K215-K217 WeakPolarHBondContact CG-O 3.42Å
218P87.2Confident93.5Very high122 Ų12273.4 Ų73.479%0.79237%0.374SS*.SBendcis-71.5-30.4-7.729.5-34.2000112.4
219T88.3Confident93.3Very high108 Ų10872.2 Ų72.266%0.66337%0.372SS*.SBendtrans-114.1135175.1-49.40000109.1C221T219-C221 PolarHBondContact O-N 3.18Å
220R92.1Very high93Very high144 Ų14475.9 Ų75.954%0.54339%0.392SS..  trans-70.2125.6177.8-172.8175.6174.11651.6109.8K215K215-R220 WeakPolarHBondContact O-CA 3.35Å
221C94.4Very high92.7Very high58 Ų5879.6 Ų79.639%0.39241%0.412SS..EExtended strand (participates in β ladder)trans-145.9154.1171.968.20000111.7L214 K215 T219L214-C221 WeakPolarHBondContact CA-O 3.4Å; K215-C221 PolarHBondContact N-O 3.5Å; K215-C221 PolarHBondContact O-N 3.34Å; K215-C221 VanDerWaalsContact O-N 3.11Å; T219-C221 PolarHBondContact O-N 3.18Å
222I96.4Very high92.5Very high130 Ų13081 Ų8167%0.66742%0.415SS*.EExtended strand (participates in β ladder)trans-75.6134.6174.1-62.3171.5000108.4A213 L214A213-I222 WeakPolarHBondContact O-CA 3.46Å; L214-I222 HydrophobicContact CD2-CB 4.4Å; L214-I222 HydrophobicContact CD2-CG1 3.7Å
223L95.9Very high92.1Very high24 Ų2481.4 Ų81.413%0.12642%0.424CS..EExtended strand (participates in β ladder)trans-97.8141171-61173.1000108.7L130 W133 L171 A213 K215 L225L130-L223 HydrophobicContact CD1-CD1 3.75Å; L130-L223 HydrophobicContact CD1-CD2 4.44Å; W133-L223 HydrophobicContact CD2-CD1 3.89Å; W133-L223 HydrophobicContact CG-CD1 3.91Å; W133-L223 HydrophobicContact CZ2-CB 4.06Å; L171-L223 HydrophobicContact CD1-CD1 3.56Å; A213-L223 HydrophobicContact CB-CB 4.04Å; A213-L223 HydrophobicContact CB-CD1 4.47Å; A213-L223 PolarHBondContact O-N 3.13Å; K215-L223 HydrophobicContact CB-CD1 4.39Å; K215-L223 HydrophobicContact CB-CD2 4.3Å; K215-L223 HydrophobicContact CB-CG 4.36Å; L223-L225 PolarHBondContact O-N 3.16Å
224P93.3Very high91.8Very high90 Ų9087.6 Ų87.658%0.58446%0.457SS*.PPolyproline II helixtrans-65.5135.5178.828-34000109.9W133 Q137W133-P224 VanDerWaalsContact CZ2-O 3.32Å; W133-P224 WeakPolarHBondContact CZ2-O 3.47Å; Q137-P224 PolarHBondContact NE2-O 3.29Å
225L92.4Very high91.4Very high62 Ų6294.3 Ų94.333%0.32549%0.492SS..PPolyproline II helixtrans-79.9165.5163.9-58.4-175.9000109.5W133 F210 A213 L223W133-L225 HydrophobicContact CH2-CD2 3.85Å; W133-L225 HydrophobicContact CZ2-CD2 4.33Å; F210-L225 HydrophobicContact CB-CD1 4.06Å; F210-L225 HydrophobicContact CB-CD2 3.98Å; F210-L225 HydrophobicContact CD2-CD2 4.42Å; F210-L225 WeakPolarHBondContact O-CD1 3.08Å; A213-L225 HydrophobicContact CB-CD2 4.09Å; L223-L225 PolarHBondContact O-N 3.16Å
226Q78.6Confident91Very high188 Ų18897.5 Ų97.588%0.87951%0.513SS*.  trans-92.80176.6-149.7177.3-6.200111.1Q137Q137-Q226 HydrophobicContact CG-CB 4.16Å

Retrieved 226 of 226 residues in 144 ms (Link to these results)

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