A0A087YN76_POEFO Loading...

Fructose-1,6-bisphosphatase isozyme 2

Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations and probably participates in glycogen synthesis from carbohydrate precursors, such as lactate.

AlphaFold DB , UniProt , Accession A0A087YN76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M40.4Very low65Low248 Ų248134.4 Ų134.4100%1.22275%0.748SS**  0111.60-65.7175.5-160.500105.5D3M1-D3 PolarHBondContact O-N 3.5Å
2S46.1Very low67.4Low101 Ų101129.1 Ų129.171%0.70671%0.708SS**  trans-66.6117.5-177.749.90000108.8Q4S2-Q4 PolarHBondContact O-N 3.02Å
3D53.5Low69.6Low150 Ų150121.7 Ų121.780%0.80267%0.669SS**  trans-61.5106.1173.2-160.36.5000108M1 S5M1-D3 PolarHBondContact O-N 3.5Å; D3-S5 PolarHBondContact O-N 2.87Å
4Q53.7Low71.3Confident178 Ų178113.1 Ų113.183%0.83262%0.622SS**  trans-88.762.9177-72.4-177.7-13.100108.3S2 A6S2-Q4 PolarHBondContact O-N 3.02Å; Q4-A6 PolarHBondContact O-N 3Å
5S64.3Low72.7Confident94 Ų94108.7 Ų108.766%0.65760%0.599SS**  trans-69131.3164.456.50000108.4D3D3-S5 PolarHBondContact O-N 2.87Å
6A64.4Low74Confident93 Ų93106.3 Ų106.377%0.76958%0.579SS**  trans-59.1142.4172.700000109.2Q4 D8Q4-A6 PolarHBondContact O-N 3Å; A6-D8 PolarHBondContact O-N 3.3Å
7F66.3Low75.1Confident206 Ų206100.9 Ų100.990%0.90455%0.548SS*.  trans-56.6113.3175.1-74.6-81.5000109.7
8D69.1Low75.9Confident129 Ų12995.8 Ų95.869%0.6952%0.521SS*.  trans-87.6107.3173.4-172.51.9000109.3A6 D10A6-D8 PolarHBondContact O-N 3.3Å; D8-D10 WeakPolarHBondContact OD1-CB 3.36Å; D8-D10 PolarHBondContact OD1-N 3.24Å
9T82.1Confident76.6Confident129 Ų12994.7 Ų94.779%0.79151%0.513SS*.  trans-91.9-2175.459.50000112.4V11T9-V11 VanDerWaalsContact C-N 3.28Å; T9-V11 PolarHBondContact O-N 3.03Å
10D86.4Confident77.2Confident80 Ų8093.4 Ų93.443%0.42850%0.503SS..  trans-82.168.8-179-16834.9000111.8D8 R16D8-D10 WeakPolarHBondContact OD1-CB 3.36Å; D8-D10 PolarHBondContact OD1-N 3.24Å; D10-R16 IonicContact OD1-CZ 2.66Å; D10-R16 IonicContact OD1-NH1 3.73Å; D10-R16 PolarHBondContact OD1-NH1 3.13Å; D10-R16 IonicContact OD1-NH2 3.34Å; D10-R16 PolarHBondContact OD1-NH2 2.89Å; D10-R16 IonicContact OD2-CZ 3.25Å; D10-R16 IonicContact OD2-NH1 3.42Å; D10-R16 IonicContact OD2-NH2 3.89Å; D10-R16 PolarHBondContact OD2-NH2 2.64Å; D10-R16 VanDerWaalsContact OD2-NH2 3.13Å
11V88.7Confident77.5Confident70 Ų7090.8 Ų90.842%0.42449%0.491SS..  trans-74.2132.5-175.6-174.90000111.7T9 T13 R16 I196T9-V11 VanDerWaalsContact C-N 3.28Å; T9-V11 PolarHBondContact O-N 3.03Å; V11-T13 PolarHBondContact O-N 2.96Å; V11-R16 PolarHBondContact O-NH1 2.82Å; V11-I196 HydrophobicContact CG1-CB 4.45Å; V11-I196 HydrophobicContact CG1-CD1 3.76Å; V11-I196 HydrophobicContact CG1-CG1 4.33Å; V11-I196 HydrophobicContact CG1-CG2 3.47Å; V11-I196 VanDerWaalsContact CG1-CG2 3.47Å
12W94Very high79.5Confident71 Ų7180 Ų8027%0.26944%0.443SS..  trans-91.592.2174.2-7975.3000110.8R16 F17 E20 L197W12-R16 HydrophobicContact CE3-CG 4.41Å; W12-F17 HydrophobicContact CE3-CB 4.41Å; W12-F17 HydrophobicContact CE3-CD2 4.31Å; W12-E20 HydrophobicContact CH2-CG 4.31Å; W12-E20 HydrophobicContact CZ3-CB 4.24Å; W12-E20 HydrophobicContact CZ3-CG 4.2Å; W12-L197 HydrophobicContact CB-CB 3.84Å; W12-L197 HydrophobicContact CB-CD2 3.95Å; W12-L197 HydrophobicContact CG-CD2 4.39Å; W12-L197 WeakPolarHBondContact O-CB 3.31Å; W12-L197 PolarHBondContact O-N 3.4Å
13T95.6Very high81.2Confident33 Ų3384.1 Ų84.120%0.20244%0.443CS..BIsolated β-bridgetrans-71.2154.5168.869.90000110.6V11 T15 R16 F17 E194 F195 I196V11-T13 PolarHBondContact O-N 2.96Å; T13-T15 VanDerWaalsContact C-N 3.25Å; T13-T15 PolarHBondContact O-N 2.83Å; T13-R16 WeakPolarHBondContact O-CB 3.35Å; T13-R16 PolarHBondContact O-N 2.87Å; T13-R16 WeakPolarHBondContact OG1-CB 3.11Å; T13-R16 PolarHBondContact OG1-N 3.43Å; T13-R16 VanDerWaalsContact OG1-N 3.13Å; T13-F17 WeakPolarHBondContact O-CB 3.12Å; T13-F17 PolarHBondContact O-N 3.36Å; T13-E194 HydrophobicContact CG2-CB 4.46Å; T13-F195 CarbonylContact C-O 3.53Å; T13-F195 VanDerWaalsContact CA-O 3.26Å; T13-F195 WeakPolarHBondContact CA-O 3.5Å; T13-I196 HydrophobicContact CG2-CD1 3.89Å
14L94.1Very high82.3Confident1 Ų184.4 Ų84.41%0.00544%0.439CS..Hα-helixtrans-59.9-38.8175.5-176.953000111.6F17 I18 L40 V175 L177 F186 F195L14-F17 HydrophobicContact CD1-CD1 4.5Å; L14-F17 WeakPolarHBondContact O-CB 3.46Å; L14-F17 PolarHBondContact O-N 3.45Å; L14-I18 HydrophobicContact CD1-CD1 3.95Å; L14-I18 HydrophobicContact CD1-CG1 4.14Å; L14-I18 HydrophobicContact CG-CD1 3.88Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.49Å; L14-I18 PolarHBondContact O-N 3.37Å; L14-L40 HydrophobicContact CB-CD1 4.41Å; L14-L40 HydrophobicContact CD2-CD1 3.33Å; L14-L40 HydrophobicContact CD2-CD2 3.3Å; L14-L40 HydrophobicContact CD2-CG 3.92Å; L14-L40 HydrophobicContact CG-CD1 3.58Å; L14-L40 HydrophobicContact CG-CD2 4.45Å; L14-V175 HydrophobicContact CD2-CB 4.49Å; L14-V175 HydrophobicContact CD2-CG1 4.19Å; L14-L177 HydrophobicContact CD1-CD2 3.82Å; L14-F186 HydrophobicContact CB-CD1 3.75Å; L14-F186 HydrophobicContact CB-CE1 4.12Å; L14-F186 HydrophobicContact CB-CG 4.13Å; L14-F186 HydrophobicContact CD1-CD1 3.73Å; L14-F186 HydrophobicContact CD1-CD2 3.62Å; L14-F186 HydrophobicContact CD1-CE1 3.54Å; L14-F186 HydrophobicContact CD1-CE2 3.44Å; L14-F186 VanDerWaalsContact CD1-CE2 3.44Å; L14-F186 HydrophobicContact CD1-CG 3.77Å; L14-F186 HydrophobicContact CD1-CZ 3.41Å; L14-F186 VanDerWaalsContact CD1-CZ 3.41Å; L14-F186 HydrophobicContact CD2-CB 4.38Å; L14-F186 HydrophobicContact CD2-CD2 4.36Å; L14-F186 HydrophobicContact CD2-CG 4.22Å; L14-F186 HydrophobicContact CG-CD1 4.24Å; L14-F186 HydrophobicContact CG-CD2 4.49Å; L14-F186 HydrophobicContact CG-CE1 4.42Å; L14-F186 HydrophobicContact CG-CG 4.29Å; L14-F195 HydrophobicContact CB-CB 3.6Å; L14-F195 HydrophobicContact CD2-CB 3.85Å; L14-F195 HydrophobicContact CD2-CD2 4.27Å; L14-F195 HydrophobicContact CD2-CG 4.13Å; L14-F195 HydrophobicContact CG-CB 4.42Å; L14-F195 PolarHBondContact N-O 2.97Å
15T92.6Very high83.4Confident47 Ų4778.6 Ų78.629%0.28842%0.422SS..Hα-helixtrans-58.3-49.9173.9-54.10000111T13 F17 I18 I19T13-T15 VanDerWaalsContact C-N 3.25Å; T13-T15 PolarHBondContact O-N 2.83Å; T15-F17 PolarHBondContact O-N 2.85Å; T15-I18 PolarHBondContact O-N 2.84Å; T15-I19 HydrophobicContact CG2-CD1 4.04Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 2.91Å
16R92.9Very high83.7Confident71 Ų7184.4 Ų84.427%0.26844%0.435SS..Hα-helixtrans-60-45.7175.1176.1-178.8174.6-177.22.1111.4D10 V11 W12 T13 I18 I19 E20D10-R16 IonicContact OD1-CZ 2.66Å; D10-R16 IonicContact OD1-NH1 3.73Å; D10-R16 PolarHBondContact OD1-NH1 3.13Å; D10-R16 IonicContact OD1-NH2 3.34Å; D10-R16 PolarHBondContact OD1-NH2 2.89Å; D10-R16 IonicContact OD2-CZ 3.25Å; D10-R16 IonicContact OD2-NH1 3.42Å; D10-R16 IonicContact OD2-NH2 3.89Å; D10-R16 PolarHBondContact OD2-NH2 2.64Å; D10-R16 VanDerWaalsContact OD2-NH2 3.13Å; V11-R16 PolarHBondContact O-NH1 2.82Å; W12-R16 HydrophobicContact CE3-CG 4.41Å; T13-R16 WeakPolarHBondContact O-CB 3.35Å; T13-R16 PolarHBondContact O-N 2.87Å; T13-R16 WeakPolarHBondContact OG1-CB 3.11Å; T13-R16 PolarHBondContact OG1-N 3.43Å; T13-R16 VanDerWaalsContact OG1-N 3.13Å; R16-I18 VanDerWaalsContact C-N 3.34Å; R16-I18 PolarHBondContact O-N 3.18Å; R16-I19 PolarHBondContact O-N 3.24Å; R16-E20 HydrophobicContact CG-CG 4.28Å; R16-E20 WeakPolarHBondContact O-CG 3.33Å; R16-E20 PolarHBondContact O-N 3.41Å
17F92.6Very high83.9Confident14 Ų1483.6 Ų83.66%0.06144%0.437CS..Hα-helixtrans-57.4-46.1179.8179.4-89.4000111.9W12 T13 L14 T15 T21 N184 F186W12-F17 HydrophobicContact CE3-CB 4.41Å; W12-F17 HydrophobicContact CE3-CD2 4.31Å; T13-F17 WeakPolarHBondContact O-CB 3.12Å; T13-F17 PolarHBondContact O-N 3.36Å; L14-F17 HydrophobicContact CD1-CD1 4.5Å; L14-F17 WeakPolarHBondContact O-CB 3.46Å; L14-F17 PolarHBondContact O-N 3.45Å; T15-F17 PolarHBondContact O-N 2.85Å; F17-T21 VanDerWaalsContact O-CB 3.29Å; F17-T21 WeakPolarHBondContact O-CB 3.45Å; F17-T21 PolarHBondContact O-N 2.91Å; F17-T21 PolarHBondContact O-OG1 3.26Å; F17-N184 WeakPolarHBondContact CZ-ND2 3.32Å; F17-F186 HydrophobicContact CB-CE1 3.94Å; F17-F186 HydrophobicContact CB-CZ 4.14Å; F17-F186 HydrophobicContact CD1-CE1 4.38Å; F17-F186 AromaticContact CD1-CZ 3.71Å; F17-F186 HydrophobicContact CD1-CZ 3.71Å; F17-F186 HydrophobicContact CD2-CE1 4.4Å; F17-F186 HydrophobicContact CD2-CZ 4.11Å; F17-F186 HydrophobicContact CE1-CZ 4.13Å; F17-F186 HydrophobicContact CE2-CZ 4.48Å; F17-F186 AromaticContact CG-CE1 3.99Å; F17-F186 HydrophobicContact CG-CE1 3.99Å; F17-F186 AromaticContact CG-CZ 3.71Å; F17-F186 HydrophobicContact CG-CZ 3.71Å; F17-F186 HydrophobicContact CZ-CZ 4.5Å
18I90.3Very high84.2Confident10 Ų1076.6 Ų76.65%0.05142%0.416CS..Hα-helixtrans-67.2-39.9179.5-65.4161.1000110.9L14 T15 R16 G22 T33 L36 L40 L177L14-I18 HydrophobicContact CD1-CD1 3.95Å; L14-I18 HydrophobicContact CD1-CG1 4.14Å; L14-I18 HydrophobicContact CG-CD1 3.88Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.49Å; L14-I18 PolarHBondContact O-N 3.37Å; T15-I18 PolarHBondContact O-N 2.84Å; R16-I18 VanDerWaalsContact C-N 3.34Å; R16-I18 PolarHBondContact O-N 3.18Å; I18-G22 WeakPolarHBondContact O-CA 3.48Å; I18-G22 PolarHBondContact O-N 3.13Å; I18-T33 HydrophobicContact CG2-CG2 3.81Å; I18-L36 HydrophobicContact CD1-CB 3.76Å; I18-L36 HydrophobicContact CD1-CD1 3.92Å; I18-L36 HydrophobicContact CD1-CG 4.45Å; I18-L36 HydrophobicContact CG1-CD1 4.03Å; I18-L36 HydrophobicContact CG2-CD1 3.85Å; I18-L40 HydrophobicContact CD1-CD1 3.92Å; I18-L177 HydrophobicContact CD1-CD2 4.36Å; I18-L177 HydrophobicContact CG1-CD2 4.28Å
19I89.3Confident84.8Confident75 Ų7574.6 Ų74.639%0.38541%0.409SS..Hα-helixtrans-62.7-51.1176.8-69.5165.8000110.5T15 R16 T21 G22 R23 T33T15-I19 HydrophobicContact CG2-CD1 4.04Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 2.91Å; R16-I19 PolarHBondContact O-N 3.24Å; I19-T21 PolarHBondContact O-N 3.48Å; I19-G22 PolarHBondContact O-N 3.07Å; I19-R23 VanDerWaalsContact O-CG 3.32Å; I19-R23 WeakPolarHBondContact O-CG 3.15Å; I19-R23 PolarHBondContact O-N 3.29Å; I19-T33 HydrophobicContact CG1-CG2 3.92Å
20E88.1Confident85.1Confident67 Ų6769.8 Ų69.831%0.31339%0.386SS..Hα-helixtrans-63.6-43.4-178.8-71.5-62.8162.300112W12 R16 R23 Q24W12-E20 HydrophobicContact CH2-CG 4.31Å; W12-E20 HydrophobicContact CZ3-CB 4.24Å; W12-E20 HydrophobicContact CZ3-CG 4.2Å; R16-E20 HydrophobicContact CG-CG 4.28Å; R16-E20 WeakPolarHBondContact O-CG 3.33Å; R16-E20 PolarHBondContact O-N 3.41Å; E20-R23 PolarHBondContact O-N 3.39Å; E20-Q24 WeakPolarHBondContact O-CG 3.26Å
21T83Confident85.3Confident40 Ų4068.2 Ų68.225%0.24538%0.375CS..Hα-helixtrans-66.1-40.1176.9-51.20000111.1F17 I19 R23 Q24F17-T21 VanDerWaalsContact O-CB 3.29Å; F17-T21 WeakPolarHBondContact O-CB 3.45Å; F17-T21 PolarHBondContact O-N 2.91Å; F17-T21 PolarHBondContact O-OG1 3.26Å; I19-T21 PolarHBondContact O-N 3.48Å; T21-R23 PolarHBondContact O-N 3.22Å; T21-Q24 PolarHBondContact O-N 2.82Å
22G81.7Confident85.4Confident20 Ų2066.7 Ų66.721%0.20637%0.365CS..Hα-helixtrans-62.7-38.7177.300000113I18 I19 Q24 A25 A28I18-G22 WeakPolarHBondContact O-CA 3.48Å; I18-G22 PolarHBondContact O-N 3.13Å; I19-G22 PolarHBondContact O-N 3.07Å; G22-Q24 PolarHBondContact O-N 2.79Å; G22-A25 PolarHBondContact O-N 2.77Å; G22-A25 VanDerWaalsContact O-N 3.15Å; G22-A28 WeakPolarHBondContact O-CB 3.29Å
23R81.8Confident85.3Confident188 Ų18864.7 Ų64.771%0.70936%0.361SS*.Hα-helixtrans-63.5-26.6177.3-72.417577.6177.36.9113.4I19 E20 T21I19-R23 VanDerWaalsContact O-CG 3.32Å; I19-R23 WeakPolarHBondContact O-CG 3.15Å; I19-R23 PolarHBondContact O-N 3.29Å; E20-R23 PolarHBondContact O-N 3.39Å; T21-R23 PolarHBondContact O-N 3.22Å
24Q78.1Confident85.3Confident156 Ų15668.3 Ų68.373%0.72938%0.375SS*.Hα-helixtrans-82.2-17.6178.8-63.4175.47.400112.5E20 T21 G22E20-Q24 WeakPolarHBondContact O-CG 3.26Å; T21-Q24 PolarHBondContact O-N 2.82Å; G22-Q24 PolarHBondContact O-N 2.79Å
25A76.5Confident85.4Confident57 Ų5768.2 Ų68.247%0.47138%0.375SS..SBendtrans-78.7126.9-179.600000111.7G22 G27 A28G22-A25 PolarHBondContact O-N 2.77Å; G22-A25 VanDerWaalsContact O-N 3.15Å; A25-G27 PolarHBondContact O-N 3.32Å; A25-A28 HydrophobicContact CB-CB 4.23Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.01Å
26K70.1Confident85.6Confident215 Ų21566.1 Ų66.194%0.93536%0.362SS*.THydrogen-bonded Turntrans-60.9125.8175.7-69.8-175178.9-179.90110.4
27G68.4Low85.7Confident77 Ų7765.2 Ų65.279%0.79436%0.364SS*.THydrogen-bonded Turntrans75.620.9178.300000114.8A25 T29A25-G27 PolarHBondContact O-N 3.32Å; G27-T29 PolarHBondContact O-N 2.73Å
28A73.2Confident85.9Confident58 Ų5865.1 Ų65.148%0.47937%0.366SS..  trans-65.8118.617600000111.8G22 A25G22-A28 WeakPolarHBondContact O-CB 3.29Å; A25-A28 HydrophobicContact CB-CB 4.23Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.01Å
29T82.1Confident86.3Confident87 Ų8764.8 Ų64.853%0.53436%0.364SS..  trans-90.8-8.4175.759.50000113.4G27 E31 K114G27-T29 PolarHBondContact O-N 2.73Å; T29-E31 VanDerWaalsContact C-N 3.32Å; T29-E31 WeakPolarHBondContact CB-OE1 3.25Å; T29-E31 WeakPolarHBondContact OG1-CG 3.41Å; T29-E31 PolarHBondContact OG1-OE1 2.97Å; T29-K114 PolarHBondContact OG1-NZ 3.28Å
30G87.1Confident86.6Confident29 Ų2961.7 Ų61.730%0.29935%0.349SS..SBendtrans86.7-10.7-173.400000114.9L32 T33 Q34G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 3Å; G30-T33 WeakPolarHBondContact O-CA 3.28Å; G30-T33 VanDerWaalsContact O-CB 3.28Å; G30-T33 WeakPolarHBondContact O-CB 3.44Å; G30-T33 PolarHBondContact O-N 2.84Å; G30-Q34 PolarHBondContact O-N 3.46Å
31E90.7Very high87.1Confident46 Ų4661.3 Ų61.322%0.21535%0.351CS..Hα-helixtrans-58.2-38.5179.6-72.8166.2-111.200112.9T29 T33 Q34 L35 S92 K114 Y115T29-E31 VanDerWaalsContact C-N 3.32Å; T29-E31 WeakPolarHBondContact CB-OE1 3.25Å; T29-E31 WeakPolarHBondContact OG1-CG 3.41Å; T29-E31 PolarHBondContact OG1-OE1 2.97Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.31Å; E31-Q34 PolarHBondContact O-N 2.89Å; E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 PolarHBondContact O-N 3.37Å; E31-S92 WeakPolarHBondContact O-CB 3.28Å; E31-S92 PolarHBondContact O-OG 2.84Å; E31-K114 VanDerWaalsContact CD-CE 3.49Å; E31-K114 VanDerWaalsContact CD-NZ 3.31Å; E31-K114 WeakPolarHBondContact OE1-CE 3.37Å; E31-K114 IonicContact OE1-NZ 3.99Å; E31-K114 PolarHBondContact OE1-NZ 3.47Å; E31-K114 WeakPolarHBondContact OE2-CD 3.48Å; E31-K114 WeakPolarHBondContact OE2-CE 3.39Å; E31-K114 VanDerWaalsContact OE2-CG 3.29Å; E31-K114 WeakPolarHBondContact OE2-CG 3.47Å; E31-K114 IonicContact OE2-NZ 3.55Å; E31-K114 PolarHBondContact OE2-NZ 2.89Å; E31-Y115 HydrophobicContact CB-CE2 3.87Å
32L91.6Very high87.9Confident38 Ų3859.4 Ų59.420%0.19934%0.339CS..Hα-helixtrans-65.7-36.4176.2-175.859.4000111.6G30 L35 L36 Y115 I140 C163G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 3Å; L32-L35 HydrophobicContact CD1-CD2 4.36Å; L32-L35 PolarHBondContact O-N 3.05Å; L32-L36 HydrophobicContact CD1-CD1 4.37Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 HydrophobicContact CG-CG 4.47Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CG 3.18Å; L32-L36 PolarHBondContact O-N 3Å; L32-Y115 HydrophobicContact CB-CE2 4.07Å; L32-Y115 HydrophobicContact CD1-CE1 4.36Å; L32-I140 HydrophobicContact CD1-CD1 4.17Å; L32-I140 HydrophobicContact CD1-CG2 4.22Å; L32-C163 HydrophobicContact CD1-CB 4.44Å
33T92.7Very high88.7Confident30 Ų3058.4 Ų58.418%0.18433%0.329CS..Hα-helixtrans-64.5-43.1176.2-55.20000110.9I18 I19 G30 E31 T37I18-T33 HydrophobicContact CG2-CG2 3.81Å; I19-T33 HydrophobicContact CG1-CG2 3.92Å; G30-T33 WeakPolarHBondContact O-CA 3.28Å; G30-T33 VanDerWaalsContact O-CB 3.28Å; G30-T33 WeakPolarHBondContact O-CB 3.44Å; G30-T33 PolarHBondContact O-N 2.84Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.31Å; T33-T37 WeakPolarHBondContact O-CB 3.37Å; T33-T37 PolarHBondContact O-N 3.37Å; T33-T37 PolarHBondContact O-OG1 3.26Å
34Q94.1Very high89.5Confident108 Ų10852.7 Ų52.751%0.50531%0.309SS..Hα-helixtrans-62.3-47175.1-70.5174.5-18.100111.4G30 E31 L36 T37 A38G30-Q34 PolarHBondContact O-N 3.46Å; E31-Q34 PolarHBondContact O-N 2.89Å; Q34-L36 PolarHBondContact O-N 3Å; Q34-T37 PolarHBondContact O-N 2.99Å; Q34-A38 PolarHBondContact O-N 3.05Å
35L96.4Very high90.4Very high0 Ų047.1 Ų47.10%029%0.29CS..Hα-helixtrans-57-49.1177.2-177.857.6000112.5E31 L32 A38 M39 L87 T93 Y115 V117 I140E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 PolarHBondContact O-N 3.37Å; L32-L35 HydrophobicContact CD1-CD2 4.36Å; L32-L35 PolarHBondContact O-N 3.05Å; L35-A38 PolarHBondContact O-N 3.38Å; L35-M39 PolarHBondContact O-N 2.73Å; L35-L87 HydrophobicContact CD1-CD2 3.54Å; L35-T93 HydrophobicContact CD1-CG2 3.36Å; L35-T93 HydrophobicContact CD2-CG2 4.48Å; L35-Y115 HydrophobicContact CD2-CD2 3.84Å; L35-Y115 HydrophobicContact CD2-CG 3.79Å; L35-V117 HydrophobicContact CD1-CG2 4.17Å; L35-V117 HydrophobicContact CD2-CG2 4.09Å; L35-I140 HydrophobicContact CD2-CD1 3.89Å; L35-I140 HydrophobicContact CD2-CG1 4.36Å; L35-I140 HydrophobicContact CD2-CG2 3.76Å; L35-I140 HydrophobicContact CG-CD1 4.24Å
36L96.1Very high91.4Very high2 Ų244.6 Ų44.61%0.0127%0.268CS..Hα-helixtrans-65.7-39.6178.9-71.4173000111.5I18 L32 Q34 A38 M39 L40 F138 I140 L177I18-L36 HydrophobicContact CD1-CB 3.76Å; I18-L36 HydrophobicContact CD1-CD1 3.92Å; I18-L36 HydrophobicContact CD1-CG 4.45Å; I18-L36 HydrophobicContact CG1-CD1 4.03Å; I18-L36 HydrophobicContact CG2-CD1 3.85Å; L32-L36 HydrophobicContact CD1-CD1 4.37Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 HydrophobicContact CG-CG 4.47Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CG 3.18Å; L32-L36 PolarHBondContact O-N 3Å; Q34-L36 PolarHBondContact O-N 3Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 3.17Å; L36-M39 PolarHBondContact O-N 3.35Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.25Å; L36-L40 PolarHBondContact O-N 3.29Å; L36-F138 HydrophobicContact CD2-CE2 4.16Å; L36-I140 HydrophobicContact CD2-CD1 3.73Å; L36-I140 HydrophobicContact CG-CD1 4.46Å; L36-L177 HydrophobicContact CD1-CD2 4.5Å; L36-L177 HydrophobicContact CD2-CD1 4.14Å
37T95.1Very high92.8Very high52 Ų5234.5 Ų34.532%0.31923%0.225SC..Hα-helixtrans-60.3-40.5176-56.10000111.7T33 Q34 L40 T41T33-T37 WeakPolarHBondContact O-CB 3.37Å; T33-T37 PolarHBondContact O-N 3.37Å; T33-T37 PolarHBondContact O-OG1 3.26Å; Q34-T37 PolarHBondContact O-N 2.99Å; T37-L40 PolarHBondContact O-N 3.19Å; T37-T41 PolarHBondContact O-N 3.04Å; T37-T41 PolarHBondContact O-OG1 3.5Å
38A97.6Very high94.1Very high13 Ų1333.5 Ų33.511%0.10721%0.206CC..Hα-helixtrans-65-46.1174.900000112.1Q34 L35 L36 L40 T41 A42 M86Q34-A38 PolarHBondContact O-N 3.05Å; L35-A38 PolarHBondContact O-N 3.38Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 3.17Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 3.46Å; A38-T41 WeakPolarHBondContact O-CB 3.05Å; A38-T41 PolarHBondContact O-N 3.08Å; A38-T41 VanDerWaalsContact O-N 3.17Å; A38-A42 PolarHBondContact O-N 3.26Å; A38-M86 HydrophobicContact CB-CB 4.33Å; A38-M86 WeakPolarHBondContact CB-O 3.29Å
39M98.2Very high95.1Very high2 Ų231.4 Ų31.41%0.0119%0.189CC..Hα-helixtrans-57.8-44.5175.2-17959.986.400111.8L35 L36 T41 A42 I43 V83 L87 V117 F138L35-M39 PolarHBondContact O-N 2.73Å; L36-M39 PolarHBondContact O-N 3.35Å; M39-T41 VanDerWaalsContact C-N 3.29Å; M39-T41 PolarHBondContact O-N 3.25Å; M39-A42 WeakPolarHBondContact O-CB 3.44Å; M39-A42 PolarHBondContact O-N 3.04Å; M39-I43 HydrophobicContact CG-CD1 3.91Å; M39-I43 WeakPolarHBondContact O-CG1 3.45Å; M39-I43 PolarHBondContact O-N 2.73Å; M39-I43 HydrophobicContact SD-CD1 4.38Å; M39-V83 HydrophobicContact CE-CG1 4.14Å; M39-V83 HydrophobicContact SD-CG1 4.3Å; M39-L87 HydrophobicContact CB-CD2 4.31Å; M39-L87 HydrophobicContact CE-CD1 4.11Å; M39-L87 HydrophobicContact CE-CD2 4.01Å; M39-V117 HydrophobicContact CE-CG1 4.02Å; M39-F138 HydrophobicContact CE-CB 3.65Å; M39-F138 HydrophobicContact CE-CD1 4.19Å; M39-F138 HydrophobicContact CE-CD2 4.19Å; M39-F138 HydrophobicContact CE-CG 3.75Å; M39-F138 HydrophobicContact CG-CD1 4.13Å; M39-F138 HydrophobicContact CG-CE1 4.05Å; M39-F138 HydrophobicContact CG-CE2 4.43Å; M39-F138 HydrophobicContact CG-CG 4.36Å; M39-F138 HydrophobicContact CG-CZ 4.2Å; M39-F138 HydrophobicContact SD-CD1 4.26Å; M39-F138 HydrophobicContact SD-CG 4.42Å
40L97.1Very high95.7Very high11 Ų1128.7 Ų28.76%0.05817%0.172CC..Hα-helixtrans-66.3-31.9178.7-65.5170.4000112.8L14 I18 L36 T37 A38 I43 K44 V175 F195L14-L40 HydrophobicContact CB-CD1 4.41Å; L14-L40 HydrophobicContact CD2-CD1 3.33Å; L14-L40 HydrophobicContact CD2-CD2 3.3Å; L14-L40 HydrophobicContact CD2-CG 3.92Å; L14-L40 HydrophobicContact CG-CD1 3.58Å; L14-L40 HydrophobicContact CG-CD2 4.45Å; I18-L40 HydrophobicContact CD1-CD1 3.92Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.25Å; L36-L40 PolarHBondContact O-N 3.29Å; T37-L40 PolarHBondContact O-N 3.19Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 3.46Å; L40-I43 HydrophobicContact CD2-CD1 4.2Å; L40-I43 PolarHBondContact O-N 3.14Å; L40-K44 WeakPolarHBondContact O-CG 3.5Å; L40-K44 PolarHBondContact O-N 2.98Å; L40-V175 HydrophobicContact CD2-CG1 4.21Å; L40-V175 HydrophobicContact CD2-CG2 4.18Å; L40-F195 HydrophobicContact CB-CE2 4.44Å; L40-F195 HydrophobicContact CD2-CD2 4.16Å; L40-F195 HydrophobicContact CD2-CE2 4.12Å
41T98.1Very high96.1Very high58 Ų5832.5 Ų32.536%0.35618%0.177SC..Hα-helixtrans-66.4-44173-58.40000110.9T37 A38 M39 I43 K44 A45 M86T37-T41 PolarHBondContact O-N 3.04Å; T37-T41 PolarHBondContact O-OG1 3.5Å; A38-T41 WeakPolarHBondContact O-CB 3.05Å; A38-T41 PolarHBondContact O-N 3.08Å; A38-T41 VanDerWaalsContact O-N 3.17Å; M39-T41 VanDerWaalsContact C-N 3.29Å; M39-T41 PolarHBondContact O-N 3.25Å; T41-I43 PolarHBondContact O-N 3.5Å; T41-K44 PolarHBondContact O-N 3.32Å; T41-A45 PolarHBondContact O-N 3.23Å; T41-M86 HydrophobicContact CG2-SD 4.01Å
42A98.4Very high96.1Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-59.3-46.3173.100000111.5A38 M39 K44 A45 I46 V83 M86A38-A42 PolarHBondContact O-N 3.26Å; M39-A42 WeakPolarHBondContact O-CB 3.44Å; M39-A42 PolarHBondContact O-N 3.04Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3Å; A42-A45 WeakPolarHBondContact O-CB 3.47Å; A42-A45 PolarHBondContact O-N 3.1Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A42-I46 VanDerWaalsContact O-CG1 3.31Å; A42-I46 WeakPolarHBondContact O-CG1 3.49Å; A42-I46 PolarHBondContact O-N 3.12Å; A42-V83 HydrophobicContact CB-CG2 4.04Å; A42-M86 HydrophobicContact CB-CB 4.14Å; A42-M86 HydrophobicContact CB-CG 4.01Å
43I98.6Very high95.9Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-59.2-41.4177.6-69.5163.4000111.5M39 L40 T41 I46 S47 F138 A167 Y169 V175 F195M39-I43 HydrophobicContact CG-CD1 3.91Å; M39-I43 WeakPolarHBondContact O-CG1 3.45Å; M39-I43 PolarHBondContact O-N 2.73Å; M39-I43 HydrophobicContact SD-CD1 4.38Å; L40-I43 HydrophobicContact CD2-CD1 4.2Å; L40-I43 PolarHBondContact O-N 3.14Å; T41-I43 PolarHBondContact O-N 3.5Å; I43-I46 PolarHBondContact O-N 3.36Å; I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 2.88Å; I43-F138 HydrophobicContact CD1-CE1 4.16Å; I43-A167 HydrophobicContact CB-CB 4.4Å; I43-A167 HydrophobicContact CD1-CB 4.04Å; I43-A167 HydrophobicContact CG1-CB 4.01Å; I43-A167 HydrophobicContact CG2-CB 3.46Å; I43-A167 VanDerWaalsContact CG2-CB 3.46Å; I43-Y169 HydrophobicContact CG2-CE1 4.02Å; I43-V175 HydrophobicContact CD1-CG2 4.24Å; I43-V175 HydrophobicContact CG2-CG2 4.07Å; I43-F195 HydrophobicContact CG2-CE2 4.39Å; I43-F195 HydrophobicContact CG2-CZ 3.78Å
44K98.5Very high95.5Very high68 Ų6834.2 Ų34.230%0.29619%0.192SC..Hα-helixtrans-63.5-41.2175-74.2-172.5-69.1-177.90112.2L40 T41 A42 S47 S48 L188 G193 F195L40-K44 WeakPolarHBondContact O-CG 3.5Å; L40-K44 PolarHBondContact O-N 2.98Å; T41-K44 PolarHBondContact O-N 3.32Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3Å; K44-S47 WeakPolarHBondContact O-CB 3.08Å; K44-S48 PolarHBondContact O-N 3.49Å; K44-L188 HydrophobicContact CD-CD1 4.04Å; K44-L188 HydrophobicContact CG-CD1 4.04Å; K44-G193 WeakPolarHBondContact CD-O 3.29Å; K44-G193 PolarHBondContact NZ-O 3.38Å; K44-F195 HydrophobicContact CD-CE2 4.3Å; K44-F195 HydrophobicContact CG-CE2 3.73Å; K44-F195 HydrophobicContact CG-CZ 4.29Å
45A98.1Very high94.9Very high38 Ų3836.2 Ų36.231%0.31421%0.205SC..Hα-helixtrans-64.9-46.3177.400000111.7T41 A42 S48 A49 L82T41-A45 PolarHBondContact O-N 3.23Å; A42-A45 WeakPolarHBondContact O-CB 3.47Å; A42-A45 PolarHBondContact O-N 3.1Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A45-S48 WeakPolarHBondContact O-CB 3.42Å; A45-S48 PolarHBondContact O-N 3.4Å; A45-A49 PolarHBondContact O-N 3.08Å; A45-L82 HydrophobicContact CB-CD1 3.91Å; A45-L82 HydrophobicContact CB-CD2 4.23Å
46I98Very high94.1Very high4 Ų438.9 Ų38.92%0.02123%0.227CC..Hα-helixtrans-61.5-47.9175.8-64.2164.6000110.2A42 I43 S48 A49 V50 L82 V83 L122 Y169A42-I46 VanDerWaalsContact O-CG1 3.31Å; A42-I46 WeakPolarHBondContact O-CG1 3.49Å; A42-I46 PolarHBondContact O-N 3.12Å; I43-I46 PolarHBondContact O-N 3.36Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.15Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.01Å; I46-V50 HydrophobicContact CG2-CG2 3.99Å; I46-V50 WeakPolarHBondContact O-CG2 3.45Å; I46-V50 PolarHBondContact O-N 3Å; I46-L82 HydrophobicContact CG1-CD1 3.92Å; I46-V83 HydrophobicContact CD1-CG2 3.95Å; I46-L122 HydrophobicContact CG2-CD1 4.21Å; I46-Y169 HydrophobicContact CG2-CD2 4.39Å; I46-Y169 HydrophobicContact CG2-CE1 4.25Å; I46-Y169 HydrophobicContact CG2-CE2 3.58Å; I46-Y169 WeakPolarHBondContact CG2-OH 3.36Å
47S97.9Very high93.4Very high3 Ų345.8 Ų45.82%0.02126%0.259CS..Hα-helixtrans-51-43.8175.3168.70000112.5I43 K44 R51 T173 L188I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 2.88Å; K44-S47 WeakPolarHBondContact O-CB 3.08Å; S47-R51 VanDerWaalsContact O-CD 3.25Å; S47-R51 WeakPolarHBondContact O-CD 3.29Å; S47-R51 VanDerWaalsContact O-CG 3.31Å; S47-R51 WeakPolarHBondContact O-CG 3.45Å; S47-R51 PolarHBondContact O-N 3.26Å; S47-R51 PolarHBondContact O-NH1 3.19Å; S47-R51 PolarHBondContact OG-NH1 2.95Å; S47-T173 PolarHBondContact OG-OG1 2.81Å; S47-L188 WeakPolarHBondContact OG-CD2 3.34Å
48S96.6Very high92.6Very high56 Ų5645.2 Ų45.239%0.39225%0.254SS..Hα-helixtrans-68.9-39.4176.2-172.90000112.8K44 A45 I46 K52K44-S48 PolarHBondContact O-N 3.49Å; A45-S48 WeakPolarHBondContact O-CB 3.42Å; A45-S48 PolarHBondContact O-N 3.4Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.15Å; S48-K52 WeakPolarHBondContact O-CE 3.5Å; S48-K52 PolarHBondContact OG-NZ 3.28Å
49A95.1Very high91.4Very high15 Ų1547.8 Ų47.812%0.12426%0.263CS..Hα-helixtrans-66.8-47.3177.700000111.9A45 I46 R51 K52 A53 L58 L75 L78A45-A49 PolarHBondContact O-N 3.08Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.01Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.25Å; A49-K52 CarbonylContact O-C 3.44Å; A49-K52 PolarHBondContact O-N 3.29Å; A49-K52 VanDerWaalsContact O-N 3.08Å; A49-A53 PolarHBondContact O-N 3.46Å; A49-L58 HydrophobicContact CB-CD1 4.2Å; A49-L75 HydrophobicContact CB-CD2 4.22Å; A49-L78 HydrophobicContact CB-CD2 3.72Å
50V94.9Very high90.2Very high29 Ų2948.9 Ų48.918%0.17628%0.276CS..Hα-helixtrans-56.6-45178.7169.90000111.1I46 K52 A53 L75 L122 I134 Y169I46-V50 HydrophobicContact CG2-CG2 3.99Å; I46-V50 WeakPolarHBondContact O-CG2 3.45Å; I46-V50 PolarHBondContact O-N 3Å; V50-K52 PolarHBondContact O-N 3.31Å; V50-K52 VanDerWaalsContact O-N 3.12Å; V50-A53 WeakPolarHBondContact O-CB 3.44Å; V50-A53 PolarHBondContact O-N 2.99Å; V50-L75 HydrophobicContact CG2-CD1 4.49Å; V50-L122 HydrophobicContact CG2-CD1 4.45Å; V50-I134 HydrophobicContact CG1-CD1 3.86Å; V50-I134 HydrophobicContact CG1-CG1 4.29Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; V50-Y169 HydrophobicContact CG2-CD2 4.39Å
51R94.7Very high89.1Confident109 Ų10953.4 Ų53.441%0.41130%0.299SS..THydrogen-bonded Turntrans-63.9-18179.6-76.1162.817370.92.3114.7S47 A49 T173S47-R51 VanDerWaalsContact O-CD 3.25Å; S47-R51 WeakPolarHBondContact O-CD 3.29Å; S47-R51 VanDerWaalsContact O-CG 3.31Å; S47-R51 WeakPolarHBondContact O-CG 3.45Å; S47-R51 PolarHBondContact O-N 3.26Å; S47-R51 PolarHBondContact O-NH1 3.19Å; S47-R51 PolarHBondContact OG-NH1 2.95Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.25Å; R51-T173 PolarHBondContact NH1-OG1 3.09Å; R51-T173 VanDerWaalsContact NH2-CB 3.28Å; R51-T173 PolarHBondContact NH2-OG1 3.27Å
52K91.3Very high87.9Confident106 Ų10652.6 Ų52.646%0.46130%0.299SS..THydrogen-bonded Turntrans-121.414.7-178.5-64.7177.4-68.3-179.90112.1S48 A49 V50 G54 L55 A56S48-K52 WeakPolarHBondContact O-CE 3.5Å; S48-K52 PolarHBondContact OG-NZ 3.28Å; A49-K52 CarbonylContact O-C 3.44Å; A49-K52 PolarHBondContact O-N 3.29Å; A49-K52 VanDerWaalsContact O-N 3.08Å; V50-K52 PolarHBondContact O-N 3.31Å; V50-K52 VanDerWaalsContact O-N 3.12Å; K52-G54 VanDerWaalsContact C-N 3.34Å; K52-G54 PolarHBondContact O-N 2.72Å; K52-L55 PolarHBondContact O-N 2.68Å; K52-A56 WeakPolarHBondContact O-CB 3.46Å; K52-A56 PolarHBondContact O-N 3.28Å
53A87.2Confident86.4Confident6 Ų656.2 Ų56.25%0.0534%0.336CS..THydrogen-bonded Turntrans-56.9-44.3-169.700000113.3A49 V50 H57 L58 Q59 L75A49-A53 PolarHBondContact O-N 3.46Å; V50-A53 WeakPolarHBondContact O-CB 3.44Å; V50-A53 PolarHBondContact O-N 2.99Å; A53-H57 PolarHBondContact O-N 2.85Å; A53-L58 HydrophobicContact CB-CB 4.35Å; A53-L58 PolarHBondContact O-N 2.83Å; A53-Q59 HydrophobicContact CB-CG 4.24Å; A53-L75 HydrophobicContact CB-CD1 3.78Å
54G83.1Confident84.9Confident39 Ų3959 Ų5940%0.40236%0.356SS..THydrogen-bonded Turntrans-67.6-34.1176.700000113.6K52K52-G54 VanDerWaalsContact C-N 3.34Å; K52-G54 PolarHBondContact O-N 2.72Å
55L82.1Confident83.4Confident150 Ų15060.3 Ų60.379%0.78537%0.369SS*.THydrogen-bonded Turntrans-76.4-33179-63.3175.9000112.6K52K52-L55 PolarHBondContact O-N 2.68Å
56A80.4Confident81.7Confident55 Ų5559.4 Ų59.446%0.45536%0.359SS..THydrogen-bonded Turntrans-93.59.3-178.300000113.2K52 L58K52-A56 WeakPolarHBondContact O-CB 3.46Å; K52-A56 PolarHBondContact O-N 3.28Å; A56-L58 HydrophobicContact CB-CD1 3.84Å; A56-L58 HydrophobicContact CB-CG 3.8Å; A56-L58 PolarHBondContact O-N 2.9Å
57H81.6Confident80.2Confident148 Ų14862 Ų6269%0.68538%0.375SS*.THydrogen-bonded Turntrans53.134.5-177-55.8-65.2000114.2A53 Q59 K74A53-H57 PolarHBondContact O-N 2.85Å; H57-Q59 VanDerWaalsContact C-N 3.32Å; H57-K74 PolarHBondContact O-NZ 3.11Å
58L76.6Confident78.1Confident40 Ų4063 Ų6321%0.20938%0.381CS..  trans-88.1-1.5178.1-59.9174.3000112.6A49 A53 A56 L75 L78A49-L58 HydrophobicContact CB-CD1 4.2Å; A53-L58 HydrophobicContact CB-CB 4.35Å; A53-L58 PolarHBondContact O-N 2.83Å; A56-L58 HydrophobicContact CB-CD1 3.84Å; A56-L58 HydrophobicContact CB-CG 3.8Å; A56-L58 PolarHBondContact O-N 2.9Å; L58-L75 HydrophobicContact CB-CD2 3.86Å; L58-L75 HydrophobicContact CB-CG 3.95Å; L58-L75 HydrophobicContact CD1-CD2 3.87Å; L58-L75 HydrophobicContact CG-CD2 4.42Å; L58-L78 HydrophobicContact CD1-CD2 4.12Å
59Q73.1Confident76.4Confident66 Ų6662.9 Ų62.931%0.30839%0.389SS..  trans-80.5155.5172.7-70.3177.5-32.600111.6A53 H57 I128A53-Q59 HydrophobicContact CB-CG 4.24Å; H57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-I128 HydrophobicContact CG-CG2 4.42Å
60G72.2Confident75.2Confident26 Ų2664.6 Ų64.627%0.26840%0.395SS..SBendtrans87.6179.9179.200000115.7K73 K74G60-K73 WeakPolarHBondContact O-CA 3.49Å; G60-K74 PolarHBondContact O-N 3.25Å; G60-K74 VanDerWaalsContact O-N 3.16Å
61L74.8Confident74.2Confident105 Ų10568 Ų6855%0.5541%0.413SS..EExtended strand (participates in β ladder)trans-68.9141.2-172.1-59.8179.2000112.2G63 D71L61-G63 VanDerWaalsContact C-N 3.28Å; L61-D71 HydrophobicContact CD2-CB 3.68Å
62A72Confident73.2Confident42 Ų4263 Ų6335%0.34740%0.395SS..EExtended strand (participates in β ladder)trans-80.2-11.5168.700000112.3V72 K74 V77A62-V72 HydrophobicContact CB-CB 4.31Å; A62-V72 HydrophobicContact CB-CG1 3.99Å; A62-V72 WeakPolarHBondContact CB-O 3.47Å; A62-V72 PolarHBondContact N-O 2.85Å; A62-K74 HydrophobicContact CB-CG 4.41Å; A62-V77 HydrophobicContact CB-CG2 3.9Å
63G66.9Low72.8Confident76 Ų7658.9 Ų58.978%0.78438%0.377SS*.EExtended strand (participates in β ladder)trans87.514-178.900000114.4L61L61-G63 VanDerWaalsContact C-N 3.28Å
64S68.9Low72.8Confident59 Ų5962.9 Ų62.941%0.41339%0.393SS..EExtended strand (participates in β ladder)trans-130159.7177.954.90000111.7V72S64-V72 WeakPolarHBondContact O-CB 3.31Å; S64-V72 WeakPolarHBondContact O-CG2 3.46Å; S64-V72 PolarHBondContact O-N 2.58Å; S64-V72 WeakPolarHBondContact OG-CB 3.33Å
65V65.4Low73.2Confident94 Ų9461.2 Ų61.257%0.5738%0.375SS*.EExtended strand (participates in β ladder)trans-110.9134.9173.1-178.60000108.3
66N63.4Low73.6Confident19 Ų1954.2 Ų54.210%0.10234%0.338CS..  trans-77.9176.4179.371.615.7000111.9T68 G69 D70 V72 E100N66-T68 VanDerWaalsContact CG-OG1 3.31Å; N66-T68 PolarHBondContact ND2-OG1 2.91Å; N66-T68 PolarHBondContact O-N 3.42Å; N66-T68 VanDerWaalsContact O-N 3.11Å; N66-T68 PolarHBondContact OD1-N 3.43Å; N66-T68 PolarHBondContact OD1-OG1 3.4Å; N66-G69 PolarHBondContact O-N 2.94Å; N66-G69 PolarHBondContact OD1-N 3.02Å; N66-G69 VanDerWaalsContact OD1-N 3.17Å; N66-D70 PolarHBondContact N-O 2.8Å; N66-D70 PolarHBondContact OD1-N 2.78Å; N66-D70 PolarHBondContact OD1-O 2.87Å; N66-V72 HydrophobicContact CB-CG2 3.73Å; N66-E100 PolarHBondContact ND2-OE1 3Å
67V65.8Low74.2Confident59 Ų5954.3 Ų54.336%0.35833%0.333SS..THydrogen-bonded Turntrans-69.2-14-171.5-56.60000113.2K102V67-K102 HydrophobicContact CB-CB 4.24Å; V67-K102 HydrophobicContact CB-CG 4.2Å; V67-K102 VanDerWaalsContact CG1-CA 3.48Å; V67-K102 HydrophobicContact CG1-CB 3.33Å; V67-K102 HydrophobicContact CG1-CD 4.24Å; V67-K102 HydrophobicContact CG1-CG 3.73Å
68T55Low74.8Confident24 Ų2450 Ų5015%0.14732%0.315CS..THydrogen-bonded Turntrans-102.2-0.5178.949.60000113.7N66 D70 R278 R315N66-T68 VanDerWaalsContact CG-OG1 3.31Å; N66-T68 PolarHBondContact ND2-OG1 2.91Å; N66-T68 PolarHBondContact O-N 3.42Å; N66-T68 VanDerWaalsContact O-N 3.11Å; N66-T68 PolarHBondContact OD1-N 3.43Å; N66-T68 PolarHBondContact OD1-OG1 3.4Å; T68-D70 PolarHBondContact OG1-OD2 3.23Å; T68-R278 PolarHBondContact OG1-NH2 2.72Å; T68-R315 PolarHBondContact O-NH2 2.86Å; T68-R315 VanDerWaalsContact O-NH2 3.16Å
69G61.1Low75.8Confident54 Ų5448.1 Ų48.156%0.55731%0.305SS*.SBendtrans89.111.8175.800000114.9N66N66-G69 PolarHBondContact O-N 2.94Å; N66-G69 PolarHBondContact OD1-N 3.02Å; N66-G69 VanDerWaalsContact OD1-N 3.17Å
70D68.5Low77Confident50 Ų5045.5 Ų45.527%0.26729%0.293SS..PPolyproline II helixtrans-90.5143.9176.8-59.4-55000110N66 T68 V72 R278N66-D70 PolarHBondContact N-O 2.8Å; N66-D70 PolarHBondContact OD1-N 2.78Å; N66-D70 PolarHBondContact OD1-O 2.87Å; T68-D70 PolarHBondContact OG1-OD2 3.23Å; D70-V72 PolarHBondContact O-N 3.24Å; D70-R278 IonicContact OD2-NH2 2.73Å; D70-R278 PolarHBondContact OD2-NH2 2.99Å
71D74.8Confident78.2Confident100 Ų10048 Ų4854%0.53530%0.3SS..EExtended strand (participates in β ladder)trans-68.6120.8177.1-78.8-34.1000110.5L61 K73L61-D71 HydrophobicContact CD2-CB 3.68Å; D71-K73 PolarHBondContact O-N 2.9Å
72V74.1Confident79.4Confident6 Ų644.7 Ų44.74%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-75.5127.5-176.7-176.50000110.1A62 S64 N66 D70 D76 V77A62-V72 HydrophobicContact CB-CB 4.31Å; A62-V72 HydrophobicContact CB-CG1 3.99Å; A62-V72 WeakPolarHBondContact CB-O 3.47Å; A62-V72 PolarHBondContact N-O 2.85Å; S64-V72 WeakPolarHBondContact O-CB 3.31Å; S64-V72 WeakPolarHBondContact O-CG2 3.46Å; S64-V72 PolarHBondContact O-N 2.58Å; S64-V72 WeakPolarHBondContact OG-CB 3.33Å; N66-V72 HydrophobicContact CB-CG2 3.73Å; D70-V72 PolarHBondContact O-N 3.24Å; V72-D76 HydrophobicContact CG1-CB 4.1Å; V72-V77 HydrophobicContact CG1-CG2 3.58Å
73K82.3Confident80.6Confident19 Ų1942.7 Ų42.78%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-93.3156.1171.9-58.7-176.6176.5-163.50110.5G60 D71 L75 D76 V77 S125 S126 I128 D129G60-K73 WeakPolarHBondContact O-CA 3.49Å; D71-K73 PolarHBondContact O-N 2.9Å; K73-L75 PolarHBondContact O-N 2.89Å; K73-D76 WeakPolarHBondContact CA-OD2 3.38Å; K73-D76 VanDerWaalsContact CB-OD2 3.25Å; K73-D76 WeakPolarHBondContact CB-OD2 3.1Å; K73-D76 PolarHBondContact N-OD2 3.39Å; K73-D76 WeakPolarHBondContact O-CB 3.19Å; K73-D76 PolarHBondContact O-N 3.4Å; K73-V77 PolarHBondContact O-N 3.11Å; K73-S125 VanDerWaalsContact CD-O 3.26Å; K73-S125 WeakPolarHBondContact CD-O 3.3Å; K73-S125 WeakPolarHBondContact CE-O 3.34Å; K73-S125 PolarHBondContact NZ-O 2.93Å; K73-S126 PolarHBondContact NZ-O 3.47Å; K73-I128 HydrophobicContact CB-CD1 4.45Å; K73-I128 HydrophobicContact CD-CB 4.24Å; K73-I128 HydrophobicContact CD-CD1 3.9Å; K73-D129 IonicContact NZ-OD2 2.87Å; K73-D129 PolarHBondContact NZ-OD2 3.16Å
74K87.4Confident82.1Confident90 Ų9040 Ų4039%0.39123%0.233SC..Hα-helixtrans-58.8-34.3179.9-66.6173.6-179.9169.20113H57 G60 A62 D76 V77 L78H57-K74 PolarHBondContact O-NZ 3.11Å; G60-K74 PolarHBondContact O-N 3.25Å; G60-K74 VanDerWaalsContact O-N 3.16Å; A62-K74 HydrophobicContact CB-CG 4.41Å; K74-D76 VanDerWaalsContact C-N 3.32Å; K74-V77 PolarHBondContact O-N 3.45Å; K74-L78 PolarHBondContact O-N 3Å
75L90.9Very high83.5Confident4 Ų441.6 Ų41.62%0.02124%0.237CC..Hα-helixtrans-68.5-29.5175.1-81.7179.6000113A49 V50 A53 L58 K73 L78 S79 L122 I128A49-L75 HydrophobicContact CB-CD2 4.22Å; V50-L75 HydrophobicContact CG2-CD1 4.49Å; A53-L75 HydrophobicContact CB-CD1 3.78Å; L58-L75 HydrophobicContact CB-CD2 3.86Å; L58-L75 HydrophobicContact CB-CG 3.95Å; L58-L75 HydrophobicContact CD1-CD2 3.87Å; L58-L75 HydrophobicContact CG-CD2 4.42Å; K73-L75 PolarHBondContact O-N 2.89Å; L75-L78 HydrophobicContact CD2-CD2 4.11Å; L75-L78 PolarHBondContact O-N 3.32Å; L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 2.92Å; L75-L122 HydrophobicContact CB-CD2 3.55Å; L75-I128 HydrophobicContact CB-CD1 4Å; L75-I128 HydrophobicContact CD1-CD1 4.09Å; L75-I128 HydrophobicContact CD1-CG2 3.81Å
76D90.4Very high85.1Confident3 Ų340.2 Ų40.22%0.01623%0.226CC..Hα-helixtrans-65.2-46.5174.6-55.6-34.1000109.4V72 K73 K74 L78 S79 N80 E100 L122 S125V72-D76 HydrophobicContact CG1-CB 4.1Å; K73-D76 WeakPolarHBondContact CA-OD2 3.38Å; K73-D76 VanDerWaalsContact CB-OD2 3.25Å; K73-D76 WeakPolarHBondContact CB-OD2 3.1Å; K73-D76 PolarHBondContact N-OD2 3.39Å; K73-D76 WeakPolarHBondContact O-CB 3.19Å; K73-D76 PolarHBondContact O-N 3.4Å; K74-D76 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 2.9Å; D76-S79 WeakPolarHBondContact CA-OG 3.33Å; D76-S79 PolarHBondContact O-N 3.26Å; D76-S79 PolarHBondContact O-OG 2.71Å; D76-N80 VanDerWaalsContact O-CB 3.24Å; D76-N80 WeakPolarHBondContact O-CB 3.42Å; D76-N80 PolarHBondContact O-N 2.84Å; D76-E100 HydrophobicContact CB-CG 4.47Å; D76-L122 WeakPolarHBondContact OD1-CD2 3.35Å; D76-S125 WeakPolarHBondContact OD1-CB 3.37Å
77V92.6Very high86.8Confident57 Ų5739.3 Ų39.335%0.34522%0.221SC..Hα-helixtrans-59.9-49.3175.4-177.50000111.3A62 V72 K73 K74 S79 N80 D81A62-V77 HydrophobicContact CB-CG2 3.9Å; V72-V77 HydrophobicContact CG1-CG2 3.58Å; K73-V77 PolarHBondContact O-N 3.11Å; K74-V77 PolarHBondContact O-N 3.45Å; V77-S79 PolarHBondContact O-N 3.42Å; V77-N80 PolarHBondContact O-N 3.01Å; V77-D81 WeakPolarHBondContact O-CB 3.26Å; V77-D81 PolarHBondContact O-N 3.25Å
78L95.1Very high88.3Confident57 Ų5738.1 Ų38.130%0.29821%0.211SC..Hα-helixtrans-60.8-46.9-179176.864.9000112A49 L58 K74 L75 D76 D81 L82A49-L78 HydrophobicContact CB-CD2 3.72Å; L58-L78 HydrophobicContact CD1-CD2 4.12Å; K74-L78 PolarHBondContact O-N 3Å; L75-L78 HydrophobicContact CD2-CD2 4.11Å; L75-L78 PolarHBondContact O-N 3.32Å; D76-L78 PolarHBondContact O-N 2.9Å; L78-D81 PolarHBondContact O-N 2.94Å; L78-L82 HydrophobicContact CD1-CD1 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.25Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CB 3.17Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.37Å
79S97.3Very high90.3Very high1 Ų139.6 Ų39.61%0.00723%0.226CC..Hα-helixtrans-65.8-41.8-178.855.40000111.4L75 D76 V77 L82 V83L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 2.92Å; D76-S79 WeakPolarHBondContact CA-OG 3.33Å; D76-S79 PolarHBondContact O-N 3.26Å; D76-S79 PolarHBondContact O-OG 2.71Å; V77-S79 PolarHBondContact O-N 3.42Å; S79-L82 PolarHBondContact O-N 3Å; S79-V83 WeakPolarHBondContact O-CG2 3.27Å; S79-V83 PolarHBondContact O-N 3.23Å
80N98.1Very high92Very high10 Ų1037.5 Ų37.55%0.05320%0.203CC..Hα-helixtrans-59-50.8175.2-172.255.9000112D76 V77 L82 V83 I84 S98 E100 N101 P121D76-N80 VanDerWaalsContact O-CB 3.24Å; D76-N80 WeakPolarHBondContact O-CB 3.42Å; D76-N80 PolarHBondContact O-N 2.84Å; V77-N80 PolarHBondContact O-N 3.01Å; N80-L82 VanDerWaalsContact C-N 3.34Å; N80-L82 PolarHBondContact O-N 2.87Å; N80-V83 PolarHBondContact O-N 3.4Å; N80-I84 WeakPolarHBondContact ND2-CD1 3.44Å; N80-I84 VanDerWaalsContact O-CG1 3.3Å; N80-I84 WeakPolarHBondContact O-CG1 3.28Å; N80-I84 PolarHBondContact O-N 3.28Å; N80-S98 WeakPolarHBondContact OD1-CB 3.41Å; N80-S98 PolarHBondContact OD1-OG 3.02Å; N80-E100 HydrophobicContact CB-CB 4.17Å; N80-E100 HydrophobicContact CB-CG 4.32Å; N80-N101 PolarHBondContact ND2-OD1 2.83Å; N80-N101 PolarHBondContact OD1-OD1 3.49Å; N80-P121 HydrophobicContact CB-CB 4.21Å; N80-P121 HydrophobicContact CB-CG 4.01Å
81D98.1Very high93.3Very high78 Ų7841.5 Ų41.542%0.41722%0.215SC..Hα-helixtrans-62.3-41.4179.9-73.5-12.4000111.8V77 L78 N85V77-D81 WeakPolarHBondContact O-CB 3.26Å; V77-D81 PolarHBondContact O-N 3.25Å; L78-D81 PolarHBondContact O-N 2.94Å; D81-N85 VanDerWaalsContact O-CB 3.23Å; D81-N85 WeakPolarHBondContact O-CB 3.38Å; D81-N85 PolarHBondContact O-N 3.07Å; D81-N85 PolarHBondContact O-ND2 3.47Å
82L98.4Very high94.4Very high37 Ų3736.8 Ų36.819%0.19419%0.19CC..Hα-helixtrans-60.9-46.4176.7-76.4171.2000111.7A45 I46 L78 S79 N80 M86A45-L82 HydrophobicContact CB-CD1 3.91Å; A45-L82 HydrophobicContact CB-CD2 4.23Å; I46-L82 HydrophobicContact CG1-CD1 3.92Å; L78-L82 HydrophobicContact CD1-CD1 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.25Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CB 3.17Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.37Å; S79-L82 PolarHBondContact O-N 3Å; N80-L82 VanDerWaalsContact C-N 3.34Å; N80-L82 PolarHBondContact O-N 2.87Å; L82-M86 WeakPolarHBondContact O-CB 3.34Å; L82-M86 WeakPolarHBondContact O-CG 3.25Å; L82-M86 PolarHBondContact O-N 2.95Å; L82-M86 VanDerWaalsContact O-N 3.07Å
83V98.7Very high95.5Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-65-51.4179.61750000110.2M39 A42 I46 S79 N80 N85 M86 L87 F119M39-V83 HydrophobicContact CE-CG1 4.14Å; M39-V83 HydrophobicContact SD-CG1 4.3Å; A42-V83 HydrophobicContact CB-CG2 4.04Å; I46-V83 HydrophobicContact CD1-CG2 3.95Å; S79-V83 WeakPolarHBondContact O-CG2 3.27Å; S79-V83 PolarHBondContact O-N 3.23Å; N80-V83 PolarHBondContact O-N 3.4Å; V83-N85 VanDerWaalsContact C-N 3.34Å; V83-N85 PolarHBondContact O-N 3.02Å; V83-M86 PolarHBondContact O-N 3.34Å; V83-L87 HydrophobicContact CG1-CD1 3.53Å; V83-L87 HydrophobicContact CG1-CG 3.99Å; V83-L87 WeakPolarHBondContact O-CB 3.35Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.99Å; V83-F119 HydrophobicContact CB-CD2 4.29Å; V83-F119 HydrophobicContact CB-CE2 3.91Å; V83-F119 HydrophobicContact CB-CZ 4.17Å; V83-F119 HydrophobicContact CG1-CD1 3.93Å; V83-F119 HydrophobicContact CG1-CD2 3.73Å; V83-F119 HydrophobicContact CG1-CE1 3.79Å; V83-F119 HydrophobicContact CG1-CE2 3.62Å; V83-F119 HydrophobicContact CG1-CG 3.9Å; V83-F119 HydrophobicContact CG1-CZ 3.65Å
84I98.7Very high96.2Very high18 Ų1835.6 Ų35.69%0.09218%0.184CC..Hα-helixtrans-55.5-49.7-179.9-67.3166.2000110.9N80 M86 L87 Q88 M96 I105 F119N80-I84 WeakPolarHBondContact ND2-CD1 3.44Å; N80-I84 VanDerWaalsContact O-CG1 3.3Å; N80-I84 WeakPolarHBondContact O-CG1 3.28Å; N80-I84 PolarHBondContact O-N 3.28Å; I84-M86 PolarHBondContact O-N 3.27Å; I84-L87 PolarHBondContact O-N 3.22Å; I84-Q88 HydrophobicContact CG2-CG 4.41Å; I84-Q88 WeakPolarHBondContact O-CB 3.2Å; I84-Q88 WeakPolarHBondContact O-CG 3.37Å; I84-Q88 PolarHBondContact O-N 3.44Å; I84-M96 HydrophobicContact CG2-CE 4.37Å; I84-I105 HydrophobicContact CD1-CD1 3.55Å; I84-I105 HydrophobicContact CG1-CD1 3.85Å; I84-I105 HydrophobicContact CG2-CG2 4.48Å; I84-F119 HydrophobicContact CG1-CZ 3.85Å
85N98.4Very high96.7Very high93 Ų9331.3 Ų31.350%0.49717%0.166SC..Hα-helixtrans-63.5-43.6-176.8-72.7-35.2000112D81 V83 A89D81-N85 VanDerWaalsContact O-CB 3.23Å; D81-N85 WeakPolarHBondContact O-CB 3.38Å; D81-N85 PolarHBondContact O-N 3.07Å; D81-N85 PolarHBondContact O-ND2 3.47Å; V83-N85 VanDerWaalsContact C-N 3.34Å; V83-N85 PolarHBondContact O-N 3.02Å; N85-A89 VanDerWaalsContact O-CB 3.29Å; N85-A89 WeakPolarHBondContact O-CB 3.39Å; N85-A89 PolarHBondContact O-N 2.9Å
86M98.2Very high97.1Very high65 Ų6531.1 Ų31.132%0.3217%0.165SC..Hα-helixtrans-66.9-42.8178.7-70.4-65.3151.500111.7A38 T41 A42 L82 V83 I84 A89 S90A38-M86 HydrophobicContact CB-CB 4.33Å; A38-M86 WeakPolarHBondContact CB-O 3.29Å; T41-M86 HydrophobicContact CG2-SD 4.01Å; A42-M86 HydrophobicContact CB-CB 4.14Å; A42-M86 HydrophobicContact CB-CG 4.01Å; L82-M86 WeakPolarHBondContact O-CB 3.34Å; L82-M86 WeakPolarHBondContact O-CG 3.25Å; L82-M86 PolarHBondContact O-N 2.95Å; L82-M86 VanDerWaalsContact O-N 3.07Å; V83-M86 PolarHBondContact O-N 3.34Å; I84-M86 PolarHBondContact O-N 3.27Å; M86-A89 CarbonylContact O-C 3.36Å; M86-A89 PolarHBondContact O-N 3.5Å; M86-S90 PolarHBondContact O-N 3.41Å; M86-S90 VanDerWaalsContact O-N 3.08Å
87L98.3Very high97.5Very high1 Ų131 Ų311%0.00517%0.165CC..Hα-helixtrans-65.3-42.6178.9-66.4-178000111.9L35 M39 V83 I84 A89 S90 T93 M96 V117 F119L35-L87 HydrophobicContact CD1-CD2 3.54Å; M39-L87 HydrophobicContact CB-CD2 4.31Å; M39-L87 HydrophobicContact CE-CD1 4.11Å; M39-L87 HydrophobicContact CE-CD2 4.01Å; V83-L87 HydrophobicContact CG1-CD1 3.53Å; V83-L87 HydrophobicContact CG1-CG 3.99Å; V83-L87 WeakPolarHBondContact O-CB 3.35Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.99Å; I84-L87 PolarHBondContact O-N 3.22Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 3Å; L87-S90 VanDerWaalsContact O-CB 3.28Å; L87-S90 WeakPolarHBondContact O-CB 3.39Å; L87-S90 PolarHBondContact O-N 2.92Å; L87-S90 VanDerWaalsContact O-N 3.14Å; L87-S90 PolarHBondContact O-OG 3.39Å; L87-T93 HydrophobicContact CB-CG2 4.03Å; L87-T93 PolarHBondContact O-OG1 3.47Å; L87-M96 HydrophobicContact CB-SD 3.72Å; L87-M96 HydrophobicContact CD1-CG 4.23Å; L87-M96 HydrophobicContact CD1-SD 3.9Å; L87-M96 HydrophobicContact CG-SD 4.48Å; L87-V117 HydrophobicContact CD1-CB 4Å; L87-V117 HydrophobicContact CD1-CG1 3.79Å; L87-V117 HydrophobicContact CD1-CG2 4.26Å; L87-F119 HydrophobicContact CD1-CD1 4.17Å; L87-F119 HydrophobicContact CD1-CE1 4.06Å
88Q97.8Very high97.8Very high33 Ų3328.3 Ų28.315%0.15415%0.148CC..Hα-helixtrans-63.5-38.9173.4-69.6-177.8-8.400112I84 S90 Y91 M96 T107 K111I84-Q88 HydrophobicContact CG2-CG 4.41Å; I84-Q88 WeakPolarHBondContact O-CB 3.2Å; I84-Q88 WeakPolarHBondContact O-CG 3.37Å; I84-Q88 PolarHBondContact O-N 3.44Å; Q88-S90 PolarHBondContact O-N 3.27Å; Q88-Y91 PolarHBondContact O-N 3Å; Q88-M96 HydrophobicContact CG-CE 3.62Å; Q88-T107 HydrophobicContact CG-CG2 4.29Å; Q88-K111 HydrophobicContact CB-CD 4.48Å; Q88-K111 WeakPolarHBondContact O-CB 3.39Å
89A96.8Very high97.8Very high56 Ų5626.4 Ų26.446%0.46314%0.138SC..Hα-helixtrans-71.2-8.517700000113.8N85 M86 L87 Y91N85-A89 VanDerWaalsContact O-CB 3.29Å; N85-A89 WeakPolarHBondContact O-CB 3.39Å; N85-A89 PolarHBondContact O-N 2.9Å; M86-A89 CarbonylContact O-C 3.36Å; M86-A89 PolarHBondContact O-N 3.5Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 3Å; A89-Y91 VanDerWaalsContact C-N 3.29Å; A89-Y91 WeakPolarHBondContact O-CD2 3.36Å; A89-Y91 WeakPolarHBondContact O-CE2 3.48Å; A89-Y91 PolarHBondContact O-N 2.9Å
90S97.1Very high97.7Very high10 Ų1027.8 Ų27.87%0.0714%0.144CC..THydrogen-bonded Turntrans-77.7-11.5177.178.40000114.1M86 L87 Q88 S92M86-S90 PolarHBondContact O-N 3.41Å; M86-S90 VanDerWaalsContact O-N 3.08Å; L87-S90 VanDerWaalsContact O-CB 3.28Å; L87-S90 WeakPolarHBondContact O-CB 3.39Å; L87-S90 PolarHBondContact O-N 2.92Å; L87-S90 VanDerWaalsContact O-N 3.14Å; L87-S90 PolarHBondContact O-OG 3.39Å; Q88-S90 PolarHBondContact O-N 3.27Å; S90-S92 PolarHBondContact O-N 3.04Å; S90-S92 PolarHBondContact O-OG 3.22Å; S90-S92 WeakPolarHBondContact OG-CB 3.31Å; S90-S92 PolarHBondContact OG-N 2.79Å
91Y96.8Very high97.7Very high134 Ų13429.6 Ų29.653%0.52515%0.154SC..THydrogen-bonded Turntrans55.317.3-173.3-63.2-94.9000114.4Q88 A89 D110 K111 G113Q88-Y91 PolarHBondContact O-N 3Å; A89-Y91 VanDerWaalsContact C-N 3.29Å; A89-Y91 WeakPolarHBondContact O-CD2 3.36Å; A89-Y91 WeakPolarHBondContact O-CE2 3.48Å; A89-Y91 PolarHBondContact O-N 2.9Å; Y91-D110 WeakPolarHBondContact CE1-O 3.47Å; Y91-K111 WeakPolarHBondContact CA-O 3.43Å; Y91-K111 HydrophobicContact CD1-CB 4.28Å; Y91-K111 HydrophobicContact CD1-CG 4.33Å; Y91-K111 HydrophobicContact CE1-CB 4.32Å; Y91-K111 HydrophobicContact CE1-CG 3.87Å; Y91-G113 WeakPolarHBondContact O-CA 3.21Å
92S96.8Very high97.5Very high0 Ų033.4 Ų33.40%017%0.166CC..  trans-117.5-15.2-169.3-62.30000113.2E31 S90 G113 K114 Y115E31-S92 WeakPolarHBondContact O-CB 3.28Å; E31-S92 PolarHBondContact O-OG 2.84Å; S90-S92 PolarHBondContact O-N 3.04Å; S90-S92 PolarHBondContact O-OG 3.22Å; S90-S92 WeakPolarHBondContact OG-CB 3.31Å; S90-S92 PolarHBondContact OG-N 2.79Å; S92-G113 VanDerWaalsContact C-CA 3.46Å; S92-G113 CarbonylContact O-C 3.46Å; S92-G113 WeakPolarHBondContact O-CA 3.35Å; S92-K114 PolarHBondContact O-N 3.1Å; S92-K114 VanDerWaalsContact O-N 3.09Å; S92-Y115 WeakPolarHBondContact O-CB 3.27Å; S92-Y115 WeakPolarHBondContact O-CD2 2.98Å; S92-Y115 PolarHBondContact O-N 2.73Å
93T97.4Very high97.4Very high0 Ų038.7 Ų38.70%019%0.19CC..EExtended strand (participates in β ladder)trans-96144.4179.960.20000112.9L35 L87 T107 R112 G113 Y115 V117L35-T93 HydrophobicContact CD1-CG2 3.36Å; L35-T93 HydrophobicContact CD2-CG2 4.48Å; L87-T93 HydrophobicContact CB-CG2 4.03Å; L87-T93 PolarHBondContact O-OG1 3.47Å; T93-T107 WeakPolarHBondContact O-CB 3.32Å; T93-T107 WeakPolarHBondContact O-CG2 3.23Å; T93-T107 PolarHBondContact O-OG1 2.93Å; T93-T107 PolarHBondContact OG1-OG1 3.11Å; T93-T107 VanDerWaalsContact OG1-OG1 3.04Å; T93-R112 WeakPolarHBondContact O-CA 3.49Å; T93-G113 PolarHBondContact O-N 2.75Å; T93-Y115 CarbonylContact C-O 3.45Å; T93-Y115 VanDerWaalsContact CA-O 3.23Å; T93-Y115 WeakPolarHBondContact CA-O 3.43Å; T93-V117 HydrophobicContact CG2-CG2 3.62Å
94C97.3Very high97.4Very high0 Ų039.9 Ų39.90%020%0.196CC..EExtended strand (participates in β ladder)trans-99.4-41.3169.261.70000112.7T107 R112 G113 Y115 V116 P149C94-T107 VanDerWaalsContact O-CB 3.3Å; C94-T107 WeakPolarHBondContact O-CB 3.49Å; C94-T107 PolarHBondContact O-N 2.88Å; C94-T107 PolarHBondContact O-OG1 2.78Å; C94-R112 HydrophobicContact CB-CG 4.01Å; C94-G113 WeakPolarHBondContact CB-O 3.46Å; C94-Y115 PolarHBondContact N-O 2.79Å; C94-Y115 PolarHBondContact SG-O 2.89Å; C94-V116 VanDerWaalsContact SG-CG2 3.57Å; C94-P149 HydrophobicContact CB-CB 4.38Å; C94-P149 HydrophobicContact CB-CG 3.83Å
95C98.1Very high97.4Very high0 Ų040.2 Ų40.20%020%0.198CC..EExtended strand (participates in β ladder)trans-152.6162.4175.457.50000110.5L104 I105 V116 V117 P149C95-L104 HydrophobicContact CB-CD1 3.88Å; C95-L104 HydrophobicContact CB-CD2 3.95Å; C95-L104 HydrophobicContact CB-CG 3.91Å; C95-I105 CarbonylContact C-O 3.59Å; C95-I105 WeakPolarHBondContact CA-O 3.48Å; C95-I105 WeakPolarHBondContact CB-O 3.34Å; C95-V116 WeakPolarHBondContact O-CA 3.13Å; C95-V117 PolarHBondContact O-N 3.44Å; C95-P149 HydrophobicContact CB-CB 3.97Å
96M98.7Very high97.4Very high0 Ų038.7 Ų38.70%019%0.192CC..EExtended strand (participates in β ladder)trans-136149.3-178.8-59.9158.5-80.700111.1I84 L87 Q88 I105 V117 F119I84-M96 HydrophobicContact CG2-CE 4.37Å; L87-M96 HydrophobicContact CB-SD 3.72Å; L87-M96 HydrophobicContact CD1-CG 4.23Å; L87-M96 HydrophobicContact CD1-SD 3.9Å; L87-M96 HydrophobicContact CG-SD 4.48Å; Q88-M96 HydrophobicContact CG-CE 3.62Å; M96-I105 HydrophobicContact CB-CB 4.19Å; M96-I105 HydrophobicContact CB-CD1 4.44Å; M96-I105 HydrophobicContact CE-CB 4.17Å; M96-I105 HydrophobicContact CE-CG2 3.58Å; M96-I105 PolarHBondContact N-O 3.01Å; M96-I105 PolarHBondContact O-N 3.01Å; M96-V117 CarbonylContact C-O 3.51Å; M96-V117 WeakPolarHBondContact CA-O 3.39Å; M96-V117 HydrophobicContact CG-CB 4.33Å; M96-F119 HydrophobicContact CB-CE1 4.01Å; M96-F119 HydrophobicContact CG-CE1 4.44Å
97V98.8Very high97.4Very high2 Ų235.6 Ų35.61%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-121.1124.2170.1-176.80000107.6L104 V117 C118 F119 A154 L280 Y281 L312V97-L104 HydrophobicContact CG2-CD1 3.79Å; V97-V117 PolarHBondContact N-O 3.15Å; V97-C118 HydrophobicContact CB-CB 4.35Å; V97-C118 CarbonylContact O-C 3.54Å; V97-C118 WeakPolarHBondContact O-CA 3.23Å; V97-F119 PolarHBondContact O-N 3.21Å; V97-A154 HydrophobicContact CG2-CB 3.53Å; V97-L280 HydrophobicContact CG1-CD1 4.47Å; V97-Y281 HydrophobicContact CG1-CD1 4.06Å; V97-Y281 HydrophobicContact CG1-CE1 4.09Å; V97-L312 HydrophobicContact CG1-CB 4.21Å; V97-L312 HydrophobicContact CG2-CD2 3.94Å
98S98.4Very high97.3Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-116.3147.9176-179.70000109.6N80 E100 N101 F119 H313N80-S98 WeakPolarHBondContact OD1-CB 3.41Å; N80-S98 PolarHBondContact OD1-OG 3.02Å; S98-E100 PolarHBondContact O-N 2.95Å; S98-E100 PolarHBondContact OG-N 2.9Å; S98-N101 WeakPolarHBondContact CB-OD1 3.34Å; S98-N101 PolarHBondContact O-N 3Å; S98-F119 WeakPolarHBondContact CA-O 3.46Å; S98-F119 WeakPolarHBondContact OG-CE2 3.33Å; S98-H313 PolarHBondContact O-CE1 3.26Å
99E96.8Very high97.2Very high17 Ų1743.6 Ų43.68%0.07922%0.216CC..THydrogen-bonded Turntrans-53.7-37.5166.2-174.8177.4-163.900111.5N101 F119 D120 R278 Y281E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 3.29Å; E99-F119 PolarHBondContact N-O 3.28Å; E99-D120 VanDerWaalsContact OE2-CG 3.32Å; E99-R278 IonicContact OE1-CZ 3.63Å; E99-R278 IonicContact OE1-NE 3.25Å; E99-R278 IonicContact OE1-NH1 2.77Å; E99-R278 PolarHBondContact OE1-NH1 3.26Å; E99-R278 IonicContact OE1-NH2 2.58Å; E99-R278 PolarHBondContact OE1-NH2 2.89Å; E99-Y281 HydrophobicContact CB-CD2 4.04Å; E99-Y281 HydrophobicContact CB-CE2 3.58Å; E99-Y281 HydrophobicContact CG-CE2 3.82Å
100E95Very high97.1Very high30 Ų3046.4 Ų46.414%0.1422%0.224CC..THydrogen-bonded Turntrans-83.8-5.5-172.4-63.4-54.9131.300114.1N66 D76 N80 S98 P121N66-E100 PolarHBondContact ND2-OE1 3Å; D76-E100 HydrophobicContact CB-CG 4.47Å; N80-E100 HydrophobicContact CB-CB 4.17Å; N80-E100 HydrophobicContact CB-CG 4.32Å; S98-E100 PolarHBondContact O-N 2.95Å; S98-E100 PolarHBondContact OG-N 2.9Å; E100-P121 HydrophobicContact CG-CG 3.78Å
101N96.6Very high97.1Very high48 Ų4849 Ų4926%0.25723%0.233SC..  trans-121.5124-177.8-68.688.3000111.9N80 S98 E99 Q103 I105 H313N80-N101 PolarHBondContact ND2-OD1 2.83Å; N80-N101 PolarHBondContact OD1-OD1 3.49Å; S98-N101 WeakPolarHBondContact CB-OD1 3.34Å; S98-N101 PolarHBondContact O-N 3Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 3.29Å; N101-Q103 VanDerWaalsContact C-N 3.29Å; N101-Q103 PolarHBondContact O-N 2.76Å; N101-I105 HydrophobicContact CB-CD1 3.97Å; N101-I105 HydrophobicContact CB-CG1 4.15Å; N101-H313 PolarHBondContact O-CE1 3.48Å; N101-H313 PolarHBondContact O-NE2 3.04Å
102K94.8Very high97Very high157 Ų15745.5 Ų45.568%0.68322%0.219SC*.SBendtrans-64.3-34-177.4-162.1172.3173.1176.70114.4V67 H313V67-K102 HydrophobicContact CB-CB 4.24Å; V67-K102 HydrophobicContact CB-CG 4.2Å; V67-K102 VanDerWaalsContact CG1-CA 3.48Å; V67-K102 HydrophobicContact CG1-CB 3.33Å; V67-K102 HydrophobicContact CG1-CD 4.24Å; V67-K102 HydrophobicContact CG1-CG 3.73Å; K102-H313 PolarHBondContact O-NE2 3.03Å
103Q97.2Very high96.9Very high148 Ų14846.2 Ų46.269%0.69223%0.227SC*.SBendtrans-113.5153.6-170.3-68.2178.3-15.600108.6N101 I105N101-Q103 VanDerWaalsContact C-N 3.29Å; N101-Q103 PolarHBondContact O-N 2.76Å; Q103-I105 PolarHBondContact O-N 3.09Å
104L98Very high96.8Very high25 Ų2549.5 Ų49.513%0.13124%0.241CC..  trans-54.7129.7169.6-173.375.5000110.7C95 V97 V106 T150 E151 A154 L312C95-L104 HydrophobicContact CB-CD1 3.88Å; C95-L104 HydrophobicContact CB-CD2 3.95Å; C95-L104 HydrophobicContact CB-CG 3.91Å; V97-L104 HydrophobicContact CG2-CD1 3.79Å; L104-V106 HydrophobicContact CD2-CG2 4.09Å; L104-V106 HydrophobicContact CG-CG2 4.46Å; L104-V106 PolarHBondContact O-N 2.79Å; L104-T150 WeakPolarHBondContact CD2-O 3.41Å; L104-E151 HydrophobicContact CB-CG 4.07Å; L104-E151 HydrophobicContact CD2-CG 4.31Å; L104-A154 HydrophobicContact CD1-CB 4.21Å; L104-L312 HydrophobicContact CB-CD1 4.23Å
105I98.4Very high96.8Very high25 Ų2550.2 Ų50.213%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-90103.5175.4-52.2167.1000107.4I84 C95 M96 N101 Q103I84-I105 HydrophobicContact CD1-CD1 3.55Å; I84-I105 HydrophobicContact CG1-CD1 3.85Å; I84-I105 HydrophobicContact CG2-CG2 4.48Å; C95-I105 CarbonylContact C-O 3.59Å; C95-I105 WeakPolarHBondContact CA-O 3.48Å; C95-I105 WeakPolarHBondContact CB-O 3.34Å; M96-I105 HydrophobicContact CB-CB 4.19Å; M96-I105 HydrophobicContact CB-CD1 4.44Å; M96-I105 HydrophobicContact CE-CB 4.17Å; M96-I105 HydrophobicContact CE-CG2 3.58Å; M96-I105 PolarHBondContact N-O 3.01Å; M96-I105 PolarHBondContact O-N 3.01Å; N101-I105 HydrophobicContact CB-CD1 3.97Å; N101-I105 HydrophobicContact CB-CG1 4.15Å; Q103-I105 PolarHBondContact O-N 3.09Å
106V97.9Very high96.8Very high62 Ų6250.2 Ų50.238%0.37624%0.244SC..EExtended strand (participates in β ladder)trans-80.3127.4176.5-178.50000109.4L104 P149L104-V106 HydrophobicContact CD2-CG2 4.09Å; L104-V106 HydrophobicContact CG-CG2 4.46Å; L104-V106 PolarHBondContact O-N 2.79Å; V106-P149 HydrophobicContact CG1-CB 4.38Å; V106-P149 HydrophobicContact CG1-CG 4.23Å
107T97.5Very high96.8Very high0 Ų050.2 Ų50.20%024%0.244CC..PPolyproline II helixtrans-69.4135.6176.7-570000109.6Q88 T93 C94 K111 R112Q88-T107 HydrophobicContact CG-CG2 4.29Å; T93-T107 WeakPolarHBondContact O-CB 3.32Å; T93-T107 WeakPolarHBondContact O-CG2 3.23Å; T93-T107 PolarHBondContact O-OG1 2.93Å; T93-T107 PolarHBondContact OG1-OG1 3.11Å; T93-T107 VanDerWaalsContact OG1-OG1 3.04Å; C94-T107 VanDerWaalsContact O-CB 3.3Å; C94-T107 WeakPolarHBondContact O-CB 3.49Å; C94-T107 PolarHBondContact O-N 2.88Å; C94-T107 PolarHBondContact O-OG1 2.78Å; T107-K111 HydrophobicContact CG2-CB 3.94Å; T107-K111 WeakPolarHBondContact CG2-O 3.23Å; T107-R112 PolarHBondContact O-NE 3.31Å; T107-R112 PolarHBondContact O-NH2 3.41Å
108P96.8Very high96.9Very high50 Ų5050.1 Ų50.133%0.32524%0.244SC..PPolyproline II helixtrans-50.6145.5174.6-28.636000112.6D110 K111 R112P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.29Å; P108-D110 PolarHBondContact O-N 3.04Å; P108-K111 CarbonylContact O-C 3.54Å; P108-K111 PolarHBondContact O-N 3.29Å; P108-R112 PolarHBondContact O-N 2.87Å
109K95.4Very high96.9Very high151 Ų15150.1 Ų50.166%0.65724%0.244SC*.G310 helixtrans-58.4-37-171.7-68-171-178.3-153.60113.2K111 E148K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.29Å; K109-E148 WeakPolarHBondContact CE-OE1 3.4Å; K109-E148 IonicContact NZ-OE1 3.54Å; K109-E148 PolarHBondContact NZ-OE1 2.9Å
110D96.1Very high97Very high116 Ų11649.4 Ų49.462%0.6224%0.24SC*.G310 helixtrans-73.4-13.8179.662-56.4000113.8Y91 P108Y91-D110 WeakPolarHBondContact CE1-O 3.47Å; P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.29Å; P108-D110 PolarHBondContact O-N 3.04Å
111K95.6Very high97.1Very high64 Ų6448 Ų4828%0.27823%0.234SC..G310 helixtrans-11611-179.2-61.5-175.1-176.6178.60113.3Q88 Y91 T107 P108 K109Q88-K111 HydrophobicContact CB-CD 4.48Å; Q88-K111 WeakPolarHBondContact O-CB 3.39Å; Y91-K111 WeakPolarHBondContact CA-O 3.43Å; Y91-K111 HydrophobicContact CD1-CB 4.28Å; Y91-K111 HydrophobicContact CD1-CG 4.33Å; Y91-K111 HydrophobicContact CE1-CB 4.32Å; Y91-K111 HydrophobicContact CE1-CG 3.87Å; T107-K111 HydrophobicContact CG2-CB 3.94Å; T107-K111 WeakPolarHBondContact CG2-O 3.23Å; P108-K111 CarbonylContact O-C 3.54Å; P108-K111 PolarHBondContact O-N 3.29Å; K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.29Å
112R94.8Very high97.1Very high60 Ų6045.9 Ų45.923%0.22622%0.222CC..  trans-83.7128.6-167.2-160.6176.8-74.8175.4-9.7111.7T93 C94 T107 P108 E148 P149T93-R112 WeakPolarHBondContact O-CA 3.49Å; C94-R112 HydrophobicContact CB-CG 4.01Å; T107-R112 PolarHBondContact O-NE 3.31Å; T107-R112 PolarHBondContact O-NH2 3.41Å; P108-R112 PolarHBondContact O-N 2.87Å; R112-E148 IonicContact CZ-OE2 3.94Å; R112-E148 VanDerWaalsContact NH1-CD 3.33Å; R112-E148 IonicContact NH1-OE1 3.21Å; R112-E148 PolarHBondContact NH1-OE1 2.77Å; R112-E148 IonicContact NH1-OE2 3.82Å; R112-E148 PolarHBondContact NH1-OE2 2.77Å; R112-E148 IonicContact NH2-OE2 3.13Å; R112-E148 PolarHBondContact NH2-OE2 3.31Å; R112-P149 VanDerWaalsContact CZ-CD 3.42Å; R112-P149 VanDerWaalsContact NH1-CD 3.35Å
113G95.1Very high97.2Very high16 Ų1638.9 Ų38.917%0.16519%0.193CC..  trans-113.8-153.3167.400000112.7Y91 S92 T93 C94Y91-G113 WeakPolarHBondContact O-CA 3.21Å; S92-G113 VanDerWaalsContact C-CA 3.46Å; S92-G113 CarbonylContact O-C 3.46Å; S92-G113 WeakPolarHBondContact O-CA 3.35Å; T93-G113 PolarHBondContact O-N 2.75Å; C94-G113 WeakPolarHBondContact CB-O 3.46Å
114K95.3Very high97Very high69 Ų6932.3 Ų32.330%0.316%0.164SC..SBendtrans-110.34.6-172.171.7-165171-156.90115.6T29 E31 S92 R143T29-K114 PolarHBondContact OG1-NZ 3.28Å; E31-K114 VanDerWaalsContact CD-CE 3.49Å; E31-K114 VanDerWaalsContact CD-NZ 3.31Å; E31-K114 WeakPolarHBondContact OE1-CE 3.37Å; E31-K114 IonicContact OE1-NZ 3.99Å; E31-K114 PolarHBondContact OE1-NZ 3.47Å; E31-K114 WeakPolarHBondContact OE2-CD 3.48Å; E31-K114 WeakPolarHBondContact OE2-CE 3.39Å; E31-K114 VanDerWaalsContact OE2-CG 3.29Å; E31-K114 WeakPolarHBondContact OE2-CG 3.47Å; E31-K114 IonicContact OE2-NZ 3.55Å; E31-K114 PolarHBondContact OE2-NZ 2.89Å; S92-K114 PolarHBondContact O-N 3.1Å; S92-K114 VanDerWaalsContact O-N 3.09Å; K114-R143 VanDerWaalsContact O-CB 3.29Å; K114-R143 WeakPolarHBondContact O-CB 3.45Å; K114-R143 PolarHBondContact O-N 3.41Å
115Y98Very high96.3Very high15 Ų1532.5 Ų32.56%0.05917%0.168CC..EExtended strand (participates in β ladder)trans-106.5144-176.7-65.3-70.5000113E31 L32 L35 S92 T93 C94 I140 Y141 K142 V162E31-Y115 HydrophobicContact CB-CE2 3.87Å; L32-Y115 HydrophobicContact CB-CE2 4.07Å; L32-Y115 HydrophobicContact CD1-CE1 4.36Å; L35-Y115 HydrophobicContact CD2-CD2 3.84Å; L35-Y115 HydrophobicContact CD2-CG 3.79Å; S92-Y115 WeakPolarHBondContact O-CB 3.27Å; S92-Y115 WeakPolarHBondContact O-CD2 2.98Å; S92-Y115 PolarHBondContact O-N 2.73Å; T93-Y115 CarbonylContact C-O 3.45Å; T93-Y115 VanDerWaalsContact CA-O 3.23Å; T93-Y115 WeakPolarHBondContact CA-O 3.43Å; C94-Y115 PolarHBondContact N-O 2.79Å; C94-Y115 PolarHBondContact SG-O 2.89Å; Y115-I140 HydrophobicContact CD1-CG2 3.72Å; Y115-I140 HydrophobicContact CG-CG2 4.03Å; Y115-Y141 CarbonylContact C-O 3.52Å; Y115-Y141 WeakPolarHBondContact CA-O 3.42Å; Y115-Y141 WeakPolarHBondContact CD1-O 3.43Å; Y115-K142 HydrophobicContact CD1-CG 4.16Å; Y115-K142 HydrophobicContact CE1-CG 3.78Å; Y115-V162 HydrophobicContact CD1-CG2 4.24Å; Y115-V162 HydrophobicContact CE1-CG2 4.04Å
116V98.6Very high95.7Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-102.7135.4168.3-175.90000107.6C94 C95 I140 Y141 R143 D153 A154C94-V116 VanDerWaalsContact SG-CG2 3.57Å; C95-V116 WeakPolarHBondContact O-CA 3.13Å; V116-I140 WeakPolarHBondContact O-CA 3.25Å; V116-Y141 PolarHBondContact N-O 2.85Å; V116-Y141 PolarHBondContact O-N 2.9Å; V116-R143 HydrophobicContact CG2-CB 4.47Å; V116-D153 HydrophobicContact CG2-CB 3.88Å; V116-A154 HydrophobicContact CG1-CB 3.92Å
117V98.8Very high95.4Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-122.4119.5178.7-170.20000110.2L35 M39 L87 T93 C95 M96 V97 F119 A139 I140L35-V117 HydrophobicContact CD1-CG2 4.17Å; L35-V117 HydrophobicContact CD2-CG2 4.09Å; M39-V117 HydrophobicContact CE-CG1 4.02Å; L87-V117 HydrophobicContact CD1-CB 4Å; L87-V117 HydrophobicContact CD1-CG1 3.79Å; L87-V117 HydrophobicContact CD1-CG2 4.26Å; T93-V117 HydrophobicContact CG2-CG2 3.62Å; C95-V117 PolarHBondContact O-N 3.44Å; M96-V117 CarbonylContact C-O 3.51Å; M96-V117 WeakPolarHBondContact CA-O 3.39Å; M96-V117 HydrophobicContact CG-CB 4.33Å; V97-V117 PolarHBondContact N-O 3.15Å; V117-F119 HydrophobicContact CG1-CD1 4.13Å; V117-A139 WeakPolarHBondContact CA-O 3.33Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; V117-I140 HydrophobicContact CG2-CG1 4.37Å
118C98.9Very high95Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-103.6126.2171.2-58.20000107.9V97 F138 A139 Y141 L280V97-C118 HydrophobicContact CB-CB 4.35Å; V97-C118 CarbonylContact O-C 3.54Å; V97-C118 WeakPolarHBondContact O-CA 3.23Å; C118-F138 CarbonylContact O-C 3.6Å; C118-F138 WeakPolarHBondContact O-CA 3.37Å; C118-A139 PolarHBondContact N-O 3.35Å; C118-A139 PolarHBondContact O-N 2.88Å; C118-Y141 HydrophobicContact CB-CE2 4.42Å; C118-L280 HydrophobicContact CB-CB 4.15Å; C118-L280 WeakPolarHBondContact CB-O 3.49Å
119F98.9Very high94.6Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-145.1149.3-176.764.8-91.1000113.7V83 I84 L87 M96 V97 S98 E99 V117 P121 I137 F138V83-F119 HydrophobicContact CB-CD2 4.29Å; V83-F119 HydrophobicContact CB-CE2 3.91Å; V83-F119 HydrophobicContact CB-CZ 4.17Å; V83-F119 HydrophobicContact CG1-CD1 3.93Å; V83-F119 HydrophobicContact CG1-CD2 3.73Å; V83-F119 HydrophobicContact CG1-CE1 3.79Å; V83-F119 HydrophobicContact CG1-CE2 3.62Å; V83-F119 HydrophobicContact CG1-CG 3.9Å; V83-F119 HydrophobicContact CG1-CZ 3.65Å; I84-F119 HydrophobicContact CG1-CZ 3.85Å; L87-F119 HydrophobicContact CD1-CD1 4.17Å; L87-F119 HydrophobicContact CD1-CE1 4.06Å; M96-F119 HydrophobicContact CB-CE1 4.01Å; M96-F119 HydrophobicContact CG-CE1 4.44Å; V97-F119 PolarHBondContact O-N 3.21Å; S98-F119 WeakPolarHBondContact CA-O 3.46Å; S98-F119 WeakPolarHBondContact OG-CE2 3.33Å; E99-F119 PolarHBondContact N-O 3.28Å; V117-F119 HydrophobicContact CG1-CD1 4.13Å; F119-P121 HydrophobicContact CD2-CB 4.08Å; F119-P121 HydrophobicContact CD2-CG 4.43Å; F119-P121 HydrophobicContact CE2-CB 4.07Å; F119-P121 HydrophobicContact CE2-CG 4.34Å; F119-I137 CarbonylContact C-O 3.59Å; F119-I137 WeakPolarHBondContact CA-O 3.27Å; F119-I137 VanDerWaalsContact CB-O 3.3Å; F119-I137 WeakPolarHBondContact CB-O 3.5Å; F119-F138 HydrophobicContact CB-CB 3.98Å
120D98.6Very high94.4Very high1 Ų132.2 Ų32.21%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.6111.6161.7173.3-10.2000105.8E99 L122 D123 T136 I137 Y281E99-D120 VanDerWaalsContact OE2-CG 3.32Å; D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.2Å; D120-L122 PolarHBondContact OD1-N 3.49Å; D120-D123 PolarHBondContact OD1-N 2.75Å; D120-D123 VanDerWaalsContact OD1-N 3.12Å; D120-D123 VanDerWaalsContact OD2-CA 3.29Å; D120-D123 WeakPolarHBondContact OD2-CA 2.97Å; D120-D123 VanDerWaalsContact OD2-CB 3.31Å; D120-D123 WeakPolarHBondContact OD2-CB 3.39Å; D120-T136 CarbonylContact O-C 3.47Å; D120-T136 WeakPolarHBondContact O-CA 3.2Å; D120-T136 WeakPolarHBondContact O-CG2 3.21Å; D120-I137 HydrophobicContact CB-CB 4.23Å; D120-I137 PolarHBondContact N-O 3.41Å; D120-I137 PolarHBondContact O-N 2.74Å; D120-Y281 HydrophobicContact CB-CD2 4.2Å
121P97.7Very high94.3Very high1 Ų133.3 Ų33.31%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-68.5-28.6-175.729.6-34000112.3N80 E100 F119 T136N80-P121 HydrophobicContact CB-CB 4.21Å; N80-P121 HydrophobicContact CB-CG 4.01Å; E100-P121 HydrophobicContact CG-CG 3.78Å; F119-P121 HydrophobicContact CD2-CB 4.08Å; F119-P121 HydrophobicContact CD2-CG 4.43Å; F119-P121 HydrophobicContact CE2-CB 4.07Å; F119-P121 HydrophobicContact CE2-CG 4.34Å; P121-T136 PolarHBondContact O-OG1 3.4Å
122L96.8Very high94.3Very high3 Ų331.9 Ų31.92%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-152.777.6-176.7-156.462.8000114.3I46 V50 L75 D76 D120 S125 I128 I134 G135 Y169I46-L122 HydrophobicContact CG2-CD1 4.21Å; V50-L122 HydrophobicContact CG2-CD1 4.45Å; L75-L122 HydrophobicContact CB-CD2 3.55Å; D76-L122 WeakPolarHBondContact OD1-CD2 3.35Å; D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.2Å; D120-L122 PolarHBondContact OD1-N 3.49Å; L122-S125 PolarHBondContact O-N 2.96Å; L122-I128 HydrophobicContact CD2-CD1 3.49Å; L122-I128 VanDerWaalsContact CD2-CD1 3.49Å; L122-I128 HydrophobicContact CD2-CG1 4.46Å; L122-I128 HydrophobicContact CG-CD1 4.37Å; L122-I134 HydrophobicContact CD1-CD1 3.85Å; L122-I134 HydrophobicContact CD1-CG1 4.36Å; L122-I134 HydrophobicContact CD2-CD1 4.43Å; L122-I134 HydrophobicContact CG-CD1 4.28Å; L122-G135 CarbonylContact C-O 3.42Å; L122-G135 WeakPolarHBondContact CA-O 3.3Å; L122-Y169 HydrophobicContact CD1-CD2 4.25Å; L122-Y169 HydrophobicContact CD1-CE2 4.06Å
123D96.8Very high94.4Very high11 Ų1130.9 Ų30.96%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-60.7137174169.160.6000111.4D120 I134 G135 I137 S249 M250 V251D120-D123 PolarHBondContact OD1-N 2.75Å; D120-D123 VanDerWaalsContact OD1-N 3.12Å; D120-D123 VanDerWaalsContact OD2-CA 3.29Å; D120-D123 WeakPolarHBondContact OD2-CA 2.97Å; D120-D123 VanDerWaalsContact OD2-CB 3.31Å; D120-D123 WeakPolarHBondContact OD2-CB 3.39Å; D123-I134 WeakPolarHBondContact O-CA 3.34Å; D123-I134 VanDerWaalsContact O-CB 3.26Å; D123-I134 WeakPolarHBondContact O-CB 3.17Å; D123-G135 PolarHBondContact N-O 2.95Å; D123-G135 PolarHBondContact O-N 2.85Å; D123-G135 VanDerWaalsContact O-N 3.1Å; D123-I137 HydrophobicContact CB-CD1 3.96Å; D123-I137 HydrophobicContact CB-CG1 4.27Å; D123-S249 PolarHBondContact OD2-OG 2.66Å; D123-M250 WeakPolarHBondContact OD1-CB 3.29Å; D123-M250 PolarHBondContact OD1-N 2.66Å; D123-M250 PolarHBondContact OD2-N 3.4Å; D123-V251 HydrophobicContact CB-CG1 4.39Å; D123-V251 WeakPolarHBondContact OD2-CB 3.45Å; D123-V251 WeakPolarHBondContact OD2-CG1 3.17Å; D123-V251 PolarHBondContact OD2-N 3.34Å
124G92.7Very high94.6Very high10 Ų1030.3 Ų30.310%0.10318%0.181CC..THydrogen-bonded Turntrans78.426.4177.500000113.1S126 N127 I134G124-S126 PolarHBondContact O-N 2.98Å; G124-N127 WeakPolarHBondContact O-CA 2.96Å; G124-N127 VanDerWaalsContact O-CB 3.31Å; G124-N127 WeakPolarHBondContact O-CB 3.42Å; G124-N127 PolarHBondContact O-N 3.22Å; G124-I134 WeakPolarHBondContact O-CG2 3.34Å
125S84.3Confident94.7Very high29 Ų2927 Ų2720%0.20317%0.167CC..G310 helixtrans-49.5-33.518066.90000113.7K73 D76 L122 N127 I128K73-S125 VanDerWaalsContact CD-O 3.26Å; K73-S125 WeakPolarHBondContact CD-O 3.3Å; K73-S125 WeakPolarHBondContact CE-O 3.34Å; K73-S125 PolarHBondContact NZ-O 2.93Å; D76-S125 WeakPolarHBondContact OD1-CB 3.37Å; L122-S125 PolarHBondContact O-N 2.96Å; S125-N127 PolarHBondContact O-N 2.83Å; S125-N127 VanDerWaalsContact O-N 3.09Å; S125-I128 WeakPolarHBondContact O-CB 3.08Å; S125-I128 WeakPolarHBondContact O-CG1 3.48Å; S125-I128 PolarHBondContact O-N 3.22Å; S125-I128 VanDerWaalsContact O-N 3.09Å
126S86.3Confident94.7Very high82 Ų8226.3 Ų26.357%0.57316%0.164SC*.G310 helixtrans-53.6-29.3172.958.90000113.7K73 G124K73-S126 PolarHBondContact NZ-O 3.47Å; G124-S126 PolarHBondContact O-N 2.98Å
127N91.6Very high94.8Very high23 Ų2326.3 Ų26.312%0.12316%0.164CC..G310 helixtrans-90.8-1.3-177.3-64.1-45.1000114.7G124 S125 D129 C130 L131 A132 I134 G248G124-N127 WeakPolarHBondContact O-CA 2.96Å; G124-N127 VanDerWaalsContact O-CB 3.31Å; G124-N127 WeakPolarHBondContact O-CB 3.42Å; G124-N127 PolarHBondContact O-N 3.22Å; S125-N127 PolarHBondContact O-N 2.83Å; S125-N127 VanDerWaalsContact O-N 3.09Å; N127-D129 VanDerWaalsContact C-N 3.35Å; N127-D129 PolarHBondContact O-N 3.45Å; N127-C130 PolarHBondContact O-N 2.97Å; N127-C130 PolarHBondContact O-SG 2.79Å; N127-L131 PolarHBondContact O-N 3.39Å; N127-A132 HydrophobicContact CB-CB 3.76Å; N127-A132 PolarHBondContact O-N 2.66Å; N127-I134 HydrophobicContact CB-CG2 4.22Å; N127-G248 PolarHBondContact ND2-O 2.9Å
128I88.5Confident94.8Very high8 Ų826.3 Ų26.34%0.04116%0.164CC..THydrogen-bonded Turntrans-57.5-46.1-179.4-71.1174000112Q59 K73 L75 L122 S125 C130 L131 I134Q59-I128 HydrophobicContact CG-CG2 4.42Å; K73-I128 HydrophobicContact CB-CD1 4.45Å; K73-I128 HydrophobicContact CD-CB 4.24Å; K73-I128 HydrophobicContact CD-CD1 3.9Å; L75-I128 HydrophobicContact CB-CD1 4Å; L75-I128 HydrophobicContact CD1-CD1 4.09Å; L75-I128 HydrophobicContact CD1-CG2 3.81Å; L122-I128 HydrophobicContact CD2-CD1 3.49Å; L122-I128 VanDerWaalsContact CD2-CD1 3.49Å; L122-I128 HydrophobicContact CD2-CG1 4.46Å; L122-I128 HydrophobicContact CG-CD1 4.37Å; S125-I128 WeakPolarHBondContact O-CB 3.08Å; S125-I128 WeakPolarHBondContact O-CG1 3.48Å; S125-I128 PolarHBondContact O-N 3.22Å; S125-I128 VanDerWaalsContact O-N 3.09Å; I128-C130 VanDerWaalsContact C-N 3.33Å; I128-C130 PolarHBondContact O-N 3.31Å; I128-L131 PolarHBondContact O-N 3.21Å; I128-I134 HydrophobicContact CD1-CD1 4.49Å; I128-I134 HydrophobicContact CG1-CD1 3.81Å; I128-I134 HydrophobicContact CG1-CG2 4.32Å
129D87.4Confident94.8Very high81 Ų8126.3 Ų26.343%0.43316%0.164SC..THydrogen-bonded Turntrans-76.3-24.1-171-55.8-48.2000112.1K73 N127 L131K73-D129 IonicContact NZ-OD2 2.87Å; K73-D129 PolarHBondContact NZ-OD2 3.16Å; N127-D129 VanDerWaalsContact C-N 3.35Å; N127-D129 PolarHBondContact O-N 3.45Å; D129-L131 VanDerWaalsContact C-N 3.34Å
130C92.1Very high94.8Very high88 Ų8826.3 Ų26.360%0.59517%0.165SC*.THydrogen-bonded Turntrans-91.87.4173.366.40000113.5N127 I128 A132N127-C130 PolarHBondContact O-N 2.97Å; N127-C130 PolarHBondContact O-SG 2.79Å; I128-C130 VanDerWaalsContact C-N 3.33Å; I128-C130 PolarHBondContact O-N 3.31Å; C130-A132 PolarHBondContact O-N 3.45Å; C130-A132 VanDerWaalsContact O-N 3.15Å
131L93.6Very high94.7Very high139 Ų13926.3 Ų26.373%0.72816%0.164SC*.THydrogen-bonded Turntrans57.924.7177.8-52.5175.5000113.9N127 I128 D129N127-L131 PolarHBondContact O-N 3.39Å; I128-L131 PolarHBondContact O-N 3.21Å; D129-L131 VanDerWaalsContact C-N 3.34Å
132A95.8Very high94.7Very high34 Ų3431.7 Ų31.728%0.28119%0.188SC..  trans-74.7164171.100000110.5N127 C130N127-A132 HydrophobicContact CB-CB 3.76Å; N127-A132 PolarHBondContact O-N 2.66Å; C130-A132 PolarHBondContact O-N 3.45Å; C130-A132 VanDerWaalsContact O-N 3.15Å
133S97.2Very high94.6Very high38 Ų3834.1 Ų34.127%0.26620%0.197SC..  trans-66.4138.6-178.3-59.80000111.4G170 S249 S252S133-G170 WeakPolarHBondContact OG-CA 3.18Å; S133-S249 WeakPolarHBondContact O-CB 3.37Å; S133-S249 PolarHBondContact O-OG 3.16Å; S133-S252 WeakPolarHBondContact CB-OG 3.26Å; S133-S252 PolarHBondContact O-OG 3.22Å
134I97.8Very high94.5Very high4 Ų438 Ų382%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-135.3177.4-179.257.4178.7000109V50 L122 D123 G124 N127 I128 Y169V50-I134 HydrophobicContact CG1-CD1 3.86Å; V50-I134 HydrophobicContact CG1-CG1 4.29Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; L122-I134 HydrophobicContact CD1-CD1 3.85Å; L122-I134 HydrophobicContact CD1-CG1 4.36Å; L122-I134 HydrophobicContact CD2-CD1 4.43Å; L122-I134 HydrophobicContact CG-CD1 4.28Å; D123-I134 WeakPolarHBondContact O-CA 3.34Å; D123-I134 VanDerWaalsContact O-CB 3.26Å; D123-I134 WeakPolarHBondContact O-CB 3.17Å; G124-I134 WeakPolarHBondContact O-CG2 3.34Å; N127-I134 HydrophobicContact CB-CG2 4.22Å; I128-I134 HydrophobicContact CD1-CD1 4.49Å; I128-I134 HydrophobicContact CG1-CD1 3.81Å; I128-I134 HydrophobicContact CG1-CG2 4.32Å; I134-Y169 HydrophobicContact CG1-CD2 4.12Å; I134-Y169 WeakPolarHBondContact O-CA 3.42Å; I134-Y169 PolarHBondContact O-N 3.21Å
135G98.3Very high94.4Very high0 Ų039.2 Ų39.20%023%0.228CC..EExtended strand (participates in β ladder)trans-163.4-175.3-177.500000115.4L122 D123 A167 Y169L122-G135 CarbonylContact C-O 3.42Å; L122-G135 WeakPolarHBondContact CA-O 3.3Å; D123-G135 PolarHBondContact N-O 2.95Å; D123-G135 PolarHBondContact O-N 2.85Å; D123-G135 VanDerWaalsContact O-N 3.1Å; G135-A167 CarbonylContact C-O 3.58Å; G135-A167 WeakPolarHBondContact CA-O 3.42Å; G135-Y169 VanDerWaalsContact CA-CD2 3.49Å
136T98.9Very high94.6Very high0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-127.9136.6172.6-61.70000107D120 P121 Y166 A167 Y169D120-T136 CarbonylContact O-C 3.47Å; D120-T136 WeakPolarHBondContact O-CA 3.2Å; D120-T136 WeakPolarHBondContact O-CG2 3.21Å; P121-T136 PolarHBondContact O-OG1 3.4Å; T136-Y166 CarbonylContact O-C 3.53Å; T136-Y166 WeakPolarHBondContact O-CA 3.31Å; T136-Y166 WeakPolarHBondContact O-CB 3.38Å; T136-A167 PolarHBondContact N-O 3.41Å; T136-A167 PolarHBondContact O-N 3.33Å; T136-Y169 WeakPolarHBondContact OG1-CE2 3.21Å; T136-Y169 PolarHBondContact OG1-OH 3.42Å
137I98.9Very high94.7Very high0 Ų045.7 Ų45.70%026%0.261CS..EExtended strand (participates in β ladder)trans-121.7140.4-178.5-50173.9000108.6F119 D120 D123 M250 Y281 E282 P285 I286F119-I137 CarbonylContact C-O 3.59Å; F119-I137 WeakPolarHBondContact CA-O 3.27Å; F119-I137 VanDerWaalsContact CB-O 3.3Å; F119-I137 WeakPolarHBondContact CB-O 3.5Å; D120-I137 HydrophobicContact CB-CB 4.23Å; D120-I137 PolarHBondContact N-O 3.41Å; D120-I137 PolarHBondContact O-N 2.74Å; D123-I137 HydrophobicContact CB-CD1 3.96Å; D123-I137 HydrophobicContact CB-CG1 4.27Å; I137-M250 HydrophobicContact CD1-SD 4.39Å; I137-Y281 WeakPolarHBondContact CB-O 3.45Å; I137-Y281 WeakPolarHBondContact CG2-O 3.24Å; I137-E282 HydrophobicContact CD1-CG 4.45Å; I137-P285 HydrophobicContact CG2-CB 3.71Å; I137-P285 HydrophobicContact CG2-CG 3.42Å; I137-P285 VanDerWaalsContact CG2-CG 3.42Å; I137-I286 HydrophobicContact CG2-CD1 4.24Å; I137-I286 HydrophobicContact CG2-CG1 4.45Å
138F98.9Very high94.8Very high0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-148.6147.6177.565.4-87.1000113.7L36 M39 I43 C118 F119 I140 A164 G165 L177 P285L36-F138 HydrophobicContact CD2-CE2 4.16Å; M39-F138 HydrophobicContact CE-CB 3.65Å; M39-F138 HydrophobicContact CE-CD1 4.19Å; M39-F138 HydrophobicContact CE-CD2 4.19Å; M39-F138 HydrophobicContact CE-CG 3.75Å; M39-F138 HydrophobicContact CG-CD1 4.13Å; M39-F138 HydrophobicContact CG-CE1 4.05Å; M39-F138 HydrophobicContact CG-CE2 4.43Å; M39-F138 HydrophobicContact CG-CG 4.36Å; M39-F138 HydrophobicContact CG-CZ 4.2Å; M39-F138 HydrophobicContact SD-CD1 4.26Å; M39-F138 HydrophobicContact SD-CG 4.42Å; I43-F138 HydrophobicContact CD1-CE1 4.16Å; C118-F138 CarbonylContact O-C 3.6Å; C118-F138 WeakPolarHBondContact O-CA 3.37Å; F119-F138 HydrophobicContact CB-CB 3.98Å; F138-I140 HydrophobicContact CD2-CD1 4.27Å; F138-I140 HydrophobicContact CD2-CG1 4.21Å; F138-I140 HydrophobicContact CE2-CD1 4.28Å; F138-A164 VanDerWaalsContact O-CA 3.31Å; F138-A164 WeakPolarHBondContact O-CA 3.43Å; F138-A164 WeakPolarHBondContact O-CB 3.45Å; F138-G165 WeakPolarHBondContact CD1-O 3.34Å; F138-G165 PolarHBondContact N-O 2.92Å; F138-G165 PolarHBondContact O-N 2.63Å; F138-L177 HydrophobicContact CE2-CD1 4.03Å; F138-L177 HydrophobicContact CZ-CD1 3.68Å; F138-P285 WeakPolarHBondContact O-CB 3.09Å
139A98.9Very high95.1Very high0 Ų049.1 Ų49.10%028%0.277CS..EExtended strand (participates in β ladder)trans-127.4139.7169.900000109.9V117 C118 Y141 I161 P285V117-A139 WeakPolarHBondContact CA-O 3.33Å; C118-A139 PolarHBondContact N-O 3.35Å; C118-A139 PolarHBondContact O-N 2.88Å; A139-Y141 HydrophobicContact CB-CE2 3.7Å; A139-I161 HydrophobicContact CB-CD1 3.85Å; A139-I161 HydrophobicContact CB-CG1 4.19Å; A139-P285 HydrophobicContact CB-CB 3.99Å; A139-P285 HydrophobicContact CB-CG 4.25Å
140I98.8Very high95.5Very high1 Ų148.2 Ų48.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-119128.1179.5-55.9173.5000108.1L32 L35 L36 Y115 V116 V117 F138 V162 C163L32-I140 HydrophobicContact CD1-CD1 4.17Å; L32-I140 HydrophobicContact CD1-CG2 4.22Å; L35-I140 HydrophobicContact CD2-CD1 3.89Å; L35-I140 HydrophobicContact CD2-CG1 4.36Å; L35-I140 HydrophobicContact CD2-CG2 3.76Å; L35-I140 HydrophobicContact CG-CD1 4.24Å; L36-I140 HydrophobicContact CD2-CD1 3.73Å; L36-I140 HydrophobicContact CG-CD1 4.46Å; Y115-I140 HydrophobicContact CD1-CG2 3.72Å; Y115-I140 HydrophobicContact CG-CG2 4.03Å; V116-I140 WeakPolarHBondContact O-CA 3.25Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; V117-I140 HydrophobicContact CG2-CG1 4.37Å; F138-I140 HydrophobicContact CD2-CD1 4.27Å; F138-I140 HydrophobicContact CD2-CG1 4.21Å; F138-I140 HydrophobicContact CE2-CD1 4.28Å; I140-V162 HydrophobicContact CB-CG2 4.32Å; I140-V162 HydrophobicContact CG2-CG2 3.91Å; I140-V162 VanDerWaalsContact O-CG2 3.3Å; I140-V162 WeakPolarHBondContact O-CG2 3.49Å; I140-V162 PolarHBondContact O-N 2.96Å; I140-C163 WeakPolarHBondContact CA-O 3.29Å; I140-C163 HydrophobicContact CB-CB 4.24Å; I140-C163 WeakPolarHBondContact CB-O 3.18Å; I140-C163 HydrophobicContact CD1-CB 4.16Å; I140-C163 PolarHBondContact N-O 3.18Å; I140-C163 PolarHBondContact O-N 3.23Å
141Y98.5Very high95.8Very high0 Ų048.4 Ų48.40%027%0.266CS..EExtended strand (participates in β ladder)trans-119.3157.9176-56-100.3000109.7Y115 V116 C118 A139 Q156 I161 N284Y115-Y141 CarbonylContact C-O 3.52Å; Y115-Y141 WeakPolarHBondContact CA-O 3.42Å; Y115-Y141 WeakPolarHBondContact CD1-O 3.43Å; V116-Y141 PolarHBondContact N-O 2.85Å; V116-Y141 PolarHBondContact O-N 2.9Å; C118-Y141 HydrophobicContact CB-CE2 4.42Å; A139-Y141 HydrophobicContact CB-CE2 3.7Å; Y141-Q156 HydrophobicContact CD1-CB 3.97Å; Y141-Q156 HydrophobicContact CE1-CB 4.2Å; Y141-I161 HydrophobicContact CD1-CG1 4.02Å; Y141-I161 HydrophobicContact CE1-CB 4.35Å; Y141-I161 HydrophobicContact CE1-CD1 4.32Å; Y141-I161 HydrophobicContact CE1-CG1 3.33Å; Y141-I161 HydrophobicContact CE2-CG1 4.09Å; Y141-I161 WeakPolarHBondContact OH-CG1 3.47Å; Y141-N284 PolarHBondContact OH-ND2 3.39Å
142K96.6Very high95.9Very high115 Ų11547.7 Ų47.750%0.526%0.259SS..EExtended strand (participates in β ladder)trans-83.6139.7165.1-76.1175.7-179.4177.20109.2Y115 Q156 V162Y115-K142 HydrophobicContact CD1-CG 4.16Å; Y115-K142 HydrophobicContact CE1-CG 3.78Å; K142-Q156 PolarHBondContact O-NE2 3.21Å; K142-V162 HydrophobicContact CD-CG1 4.08Å; K142-V162 HydrophobicContact CG-CG1 3.93Å
143R95.4Very high96Very high54 Ų5446 Ų4620%0.20425%0.246CC..  trans-58.4142172.5-170.9-175.8176.5-171.6-8110.9K114 V116 S145 G147 E148 D153K114-R143 VanDerWaalsContact O-CB 3.29Å; K114-R143 WeakPolarHBondContact O-CB 3.45Å; K114-R143 PolarHBondContact O-N 3.41Å; V116-R143 HydrophobicContact CG2-CB 4.47Å; R143-S145 PolarHBondContact NE-O 2.89Å; R143-S145 VanDerWaalsContact NE-O 3.08Å; R143-S145 PolarHBondContact NE-OG 2.89Å; R143-S145 VanDerWaalsContact NE-OG 3.14Å; R143-S145 PolarHBondContact NH2-O 3.44Å; R143-S145 PolarHBondContact NH2-OG 2.97Å; R143-G147 PolarHBondContact NH1-O 2.93Å; R143-G147 PolarHBondContact NH2-O 2.81Å; R143-E148 PolarHBondContact NH2-O 2.9Å; R143-E148 VanDerWaalsContact NH2-O 3.15Å; R143-D153 HydrophobicContact CG-CB 4.39Å; R143-D153 WeakPolarHBondContact CG-OD1 3.44Å; R143-D153 IonicContact NE-OD1 2.64Å; R143-D153 IonicContact NE-OD2 2.89Å
144T94.1Very high96Very high92 Ų9244.2 Ų44.256%0.56423%0.233SC*.  trans-110-28.4-178.951.60000113.2D153 Q156T144-D153 PolarHBondContact N-OD1 2.87Å; T144-Q156 HydrophobicContact CG2-CG 4.41Å
145S91.3Very high96Very high36 Ų3644.6 Ų44.625%0.25224%0.235SC..  trans-83.8151.4179.969.40000113.7R143 D153R143-S145 PolarHBondContact NE-O 2.89Å; R143-S145 VanDerWaalsContact NE-O 3.08Å; R143-S145 PolarHBondContact NE-OG 2.89Å; R143-S145 VanDerWaalsContact NE-OG 3.14Å; R143-S145 PolarHBondContact NH2-O 3.44Å; R143-S145 PolarHBondContact NH2-OG 2.97Å; S145-D153 WeakPolarHBondContact CB-OD1 3.35Å; S145-D153 PolarHBondContact N-OD1 2.82Å; S145-D153 PolarHBondContact OG-OD1 3.42Å; S145-D153 PolarHBondContact OG-OD2 3.08Å
146E87.1Confident96Very high192 Ų19245.5 Ų45.590%0.89724%0.239SC*.SBendtrans-88.6147.5161.6-61.1-174171.300109.9
147G89.3Confident96Very high55 Ų5548.4 Ų48.457%0.56725%0.253SS*.SBendtrans95.6-133.7175.200000115.6R143R143-G147 PolarHBondContact NH1-O 2.93Å; R143-G147 PolarHBondContact NH2-O 2.81Å
148E93.6Very high96Very high92 Ų9248.4 Ų48.443%0.4325%0.253SS..SBendtrans-80.5137.5175.7-71.9-61.2147.300111.6K109 R112 R143K109-E148 WeakPolarHBondContact CE-OE1 3.4Å; K109-E148 IonicContact NZ-OE1 3.54Å; K109-E148 PolarHBondContact NZ-OE1 2.9Å; R112-E148 IonicContact CZ-OE2 3.94Å; R112-E148 VanDerWaalsContact NH1-CD 3.33Å; R112-E148 IonicContact NH1-OE1 3.21Å; R112-E148 PolarHBondContact NH1-OE1 2.77Å; R112-E148 IonicContact NH1-OE2 3.82Å; R112-E148 PolarHBondContact NH1-OE2 2.77Å; R112-E148 IonicContact NH2-OE2 3.13Å; R112-E148 PolarHBondContact NH2-OE2 3.31Å; R143-E148 PolarHBondContact NH2-O 2.9Å; R143-E148 VanDerWaalsContact NH2-O 3.15Å
149P95.4Very high96Very high10 Ų1051.6 Ų51.67%0.06527%0.27CS..  trans-61.9138.7176.9-23.234000112C94 C95 V106 R112 D153C94-P149 HydrophobicContact CB-CB 4.38Å; C94-P149 HydrophobicContact CB-CG 3.83Å; C95-P149 HydrophobicContact CB-CB 3.97Å; V106-P149 HydrophobicContact CG1-CB 4.38Å; V106-P149 HydrophobicContact CG1-CG 4.23Å; R112-P149 VanDerWaalsContact CZ-CD 3.42Å; R112-P149 VanDerWaalsContact NH1-CD 3.35Å; P149-D153 WeakPolarHBondContact CA-OD2 3.43Å
150T96Very high95.9Very high63 Ų6354 Ų5439%0.38729%0.287SS..  trans-128.8171.7-18067.90000111L104 Q152 D153L104-T150 WeakPolarHBondContact CD2-O 3.41Å; T150-Q152 PolarHBondContact O-N 3.15Å; T150-Q152 PolarHBondContact OG1-N 2.73Å; T150-D153 PolarHBondContact N-OD2 2.9Å; T150-D153 WeakPolarHBondContact O-CB 3.44Å; T150-D153 PolarHBondContact O-N 3.25Å; T150-D153 VanDerWaalsContact O-N 3.09Å
151E96.6Very high95.9Very high91 Ų9154.5 Ų54.543%0.42529%0.289SS..G310 helixtrans-60.2-29.3176.3-64.6-170.2168.900112.2L104 D153 A154 L155 L312L104-E151 HydrophobicContact CB-CG 4.07Å; L104-E151 HydrophobicContact CD2-CG 4.31Å; E151-D153 PolarHBondContact O-N 3.28Å; E151-A154 WeakPolarHBondContact O-CA 3.16Å; E151-A154 PolarHBondContact O-N 2.87Å; E151-L155 WeakPolarHBondContact O-CG 3.31Å; E151-L155 PolarHBondContact O-N 2.85Å; E151-L312 HydrophobicContact CB-CD2 4.2Å; E151-L312 HydrophobicContact CG-CD1 4.11Å; E151-L312 HydrophobicContact CG-CD2 4.39Å; E151-L312 HydrophobicContact CG-CG 4.46Å
152Q96.8Very high95.8Very high124 Ų12456.1 Ų56.158%0.57930%0.299SS*.G310 helixtrans-62.5-24.9177.8-61.8-59.5-37.800112.7T150 A154T150-Q152 PolarHBondContact O-N 3.15Å; T150-Q152 PolarHBondContact OG1-N 2.73Å; Q152-A154 PolarHBondContact O-N 3.14Å
153D97.4Very high95.9Very high0 Ų050.7 Ų50.70%028%0.275CS..G310 helixtrans-67.5-26172.4-65.9-64.1000112V116 R143 T144 S145 P149 T150 E151 Q156V116-D153 HydrophobicContact CG2-CB 3.88Å; R143-D153 HydrophobicContact CG-CB 4.39Å; R143-D153 WeakPolarHBondContact CG-OD1 3.44Å; R143-D153 IonicContact NE-OD1 2.64Å; R143-D153 IonicContact NE-OD2 2.89Å; T144-D153 PolarHBondContact N-OD1 2.87Å; S145-D153 WeakPolarHBondContact CB-OD1 3.35Å; S145-D153 PolarHBondContact N-OD1 2.82Å; S145-D153 PolarHBondContact OG-OD1 3.42Å; S145-D153 PolarHBondContact OG-OD2 3.08Å; P149-D153 WeakPolarHBondContact CA-OD2 3.43Å; T150-D153 PolarHBondContact N-OD2 2.9Å; T150-D153 WeakPolarHBondContact O-CB 3.44Å; T150-D153 PolarHBondContact O-N 3.25Å; T150-D153 VanDerWaalsContact O-N 3.09Å; E151-D153 PolarHBondContact O-N 3.28Å; D153-Q156 PolarHBondContact O-NE2 3.19Å
154A97.7Very high96.1Very high0 Ų048.1 Ų48.10%027%0.266CS..THydrogen-bonded Turntrans-95.2-24.8177.600000113.5V97 L104 V116 E151 Q152 Q156 L312V97-A154 HydrophobicContact CG2-CB 3.53Å; L104-A154 HydrophobicContact CD1-CB 4.21Å; V116-A154 HydrophobicContact CG1-CB 3.92Å; E151-A154 WeakPolarHBondContact O-CA 3.16Å; E151-A154 PolarHBondContact O-N 2.87Å; Q152-A154 PolarHBondContact O-N 3.14Å; A154-Q156 PolarHBondContact O-N 2.89Å; A154-L312 HydrophobicContact CB-CD2 4.06Å
155L98.4Very high96.3Very high11 Ų1143.7 Ų43.76%0.05824%0.239CC..  trans-78.652.1178.7-61.6174.2000111.9E151 L280 Q308 P309 T311 L312E151-L155 WeakPolarHBondContact O-CG 3.31Å; E151-L155 PolarHBondContact O-N 2.85Å; L155-L280 HydrophobicContact CD2-CD1 4.44Å; L155-Q308 PolarHBondContact O-NE2 2.85Å; L155-P309 HydrophobicContact CB-CB 4.41Å; L155-P309 HydrophobicContact CD2-CB 3.81Å; L155-T311 VanDerWaalsContact CD2-C 3.49Å; L155-L312 HydrophobicContact CD2-CD2 4.11Å; L155-L312 HydrophobicContact CG-CD2 4.39Å
156Q98.6Very high96.6Very high19 Ų1942 Ų429%0.08923%0.227CC..  trans-99.8146.9176.3-61.7-174.354.300110.8Y141 K142 T144 D153 A154 P309Y141-Q156 HydrophobicContact CD1-CB 3.97Å; Y141-Q156 HydrophobicContact CE1-CB 4.2Å; K142-Q156 PolarHBondContact O-NE2 3.21Å; T144-Q156 HydrophobicContact CG2-CG 4.41Å; D153-Q156 PolarHBondContact O-NE2 3.19Å; A154-Q156 PolarHBondContact O-N 2.89Å; Q156-P309 WeakPolarHBondContact O-CD 3.21Å; Q156-P309 VanDerWaalsContact O-CG 3.27Å; Q156-P309 WeakPolarHBondContact O-CG 3.36Å
157Q98.6Very high97.2Very high61 Ų6132.9 Ų32.929%0.28518%0.184SC..  trans-57146.6168.5-73.6-178.4-31.500111N159 S160 D306 Q308Q157-N159 WeakPolarHBondContact CB-OD1 3.48Å; Q157-N159 PolarHBondContact O-N 2.84Å; Q157-N159 VanDerWaalsContact O-N 3.15Å; Q157-N159 PolarHBondContact OE1-ND2 3.24Å; Q157-N159 VanDerWaalsContact OE1-ND2 3.1Å; Q157-S160 WeakPolarHBondContact O-CB 3.24Å; Q157-S160 PolarHBondContact O-N 3.27Å; Q157-D306 PolarHBondContact NE2-O 3.42Å; Q157-Q308 HydrophobicContact CG-CB 4.36Å
158G98.6Very high97.7Very high0 Ų031.2 Ų31.20%016%0.162CC..G310 helixtrans-62.2-21.6-179.900000113.8S160 I161 L305G158-S160 PolarHBondContact O-N 3.3Å; G158-I161 WeakPolarHBondContact O-CB 3.37Å; G158-I161 WeakPolarHBondContact O-CD1 3.44Å; G158-I161 WeakPolarHBondContact O-CG1 3.3Å; G158-I161 PolarHBondContact O-N 2.84Å; G158-I161 VanDerWaalsContact O-N 3.17Å; G158-L305 PolarHBondContact N-O 2.99Å
159N97.8Very high97.9Very high67 Ų6727.2 Ų27.236%0.35814%0.143SC..G310 helixtrans-66.4-13.717462.329.8000113.6Q157 L305 D306Q157-N159 WeakPolarHBondContact CB-OD1 3.48Å; Q157-N159 PolarHBondContact O-N 2.84Å; Q157-N159 VanDerWaalsContact O-N 3.15Å; Q157-N159 PolarHBondContact OE1-ND2 3.24Å; Q157-N159 VanDerWaalsContact OE1-ND2 3.1Å; N159-L305 HydrophobicContact CB-CB 4.26Å; N159-L305 PolarHBondContact N-O 2.94Å; N159-L305 PolarHBondContact ND2-O 2.84Å; N159-D306 PolarHBondContact ND2-OD1 2.95Å
160S98.2Very high98Very high51 Ų5127.9 Ų27.936%0.35715%0.152SC..G310 helixtrans-88.50.3174.1-640000114.1Q157 G158 V162Q157-S160 WeakPolarHBondContact O-CB 3.24Å; Q157-S160 PolarHBondContact O-N 3.27Å; G158-S160 PolarHBondContact O-N 3.3Å; S160-V162 PolarHBondContact O-N 3.12Å
161I98.6Very high98Very high11 Ų1131.5 Ų31.56%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-59.5129.1175.5-72.4173.5000109.8A139 Y141 G158 C163 A164 N284 F288A139-I161 HydrophobicContact CB-CD1 3.85Å; A139-I161 HydrophobicContact CB-CG1 4.19Å; Y141-I161 HydrophobicContact CD1-CG1 4.02Å; Y141-I161 HydrophobicContact CE1-CB 4.35Å; Y141-I161 HydrophobicContact CE1-CD1 4.32Å; Y141-I161 HydrophobicContact CE1-CG1 3.33Å; Y141-I161 HydrophobicContact CE2-CG1 4.09Å; Y141-I161 WeakPolarHBondContact OH-CG1 3.47Å; G158-I161 WeakPolarHBondContact O-CB 3.37Å; G158-I161 WeakPolarHBondContact O-CD1 3.44Å; G158-I161 WeakPolarHBondContact O-CG1 3.3Å; G158-I161 PolarHBondContact O-N 2.84Å; G158-I161 VanDerWaalsContact O-N 3.17Å; I161-C163 VanDerWaalsContact CG2-C 3.46Å; I161-C163 WeakPolarHBondContact CG2-O 3.42Å; I161-A164 HydrophobicContact CG2-CB 3.92Å; I161-N284 HydrophobicContact CD1-CB 4.06Å; I161-F288 HydrophobicContact CB-CD2 3.74Å; I161-F288 HydrophobicContact CB-CE2 3.94Å; I161-F288 HydrophobicContact CB-CG 4.21Å; I161-F288 HydrophobicContact CD1-CB 3.96Å; I161-F288 HydrophobicContact CD1-CD2 4.47Å; I161-F288 HydrophobicContact CD1-CG 4.34Å; I161-F288 HydrophobicContact CG2-CD1 3.99Å; I161-F288 HydrophobicContact CG2-CD2 3.75Å; I161-F288 HydrophobicContact CG2-CE1 4.03Å; I161-F288 HydrophobicContact CG2-CE2 3.81Å; I161-F288 HydrophobicContact CG2-CG 3.83Å; I161-F288 HydrophobicContact CG2-CZ 3.94Å; I161-F288 WeakPolarHBondContact O-CE2 3.4Å
162V96.9Very high98.1Very high35 Ų3528.9 Ų28.921%0.21217%0.174CC..EExtended strand (participates in β ladder)trans-96.6-23.7173.2-61.70000112.6Y115 I140 K142 S160 T179Y115-V162 HydrophobicContact CD1-CG2 4.24Å; Y115-V162 HydrophobicContact CE1-CG2 4.04Å; I140-V162 HydrophobicContact CB-CG2 4.32Å; I140-V162 HydrophobicContact CG2-CG2 3.91Å; I140-V162 VanDerWaalsContact O-CG2 3.3Å; I140-V162 WeakPolarHBondContact O-CG2 3.49Å; I140-V162 PolarHBondContact O-N 2.96Å; K142-V162 HydrophobicContact CD-CG1 4.08Å; K142-V162 HydrophobicContact CG-CG1 3.93Å; S160-V162 PolarHBondContact O-N 3.12Å; V162-T179 CarbonylContact O-C 3.55Å; V162-T179 WeakPolarHBondContact O-CA 3.15Å
163C97.6Very high98.2Very high0 Ų023.1 Ų23.10%015%0.147CC..EExtended strand (participates in β ladder)trans-158139.2172.8179.90000109.8L32 I140 I161 S178 T179L32-C163 HydrophobicContact CD1-CB 4.44Å; I140-C163 WeakPolarHBondContact CA-O 3.29Å; I140-C163 HydrophobicContact CB-CB 4.24Å; I140-C163 WeakPolarHBondContact CB-O 3.18Å; I140-C163 HydrophobicContact CD1-CB 4.16Å; I140-C163 PolarHBondContact N-O 3.18Å; I140-C163 PolarHBondContact O-N 3.23Å; I161-C163 VanDerWaalsContact CG2-C 3.46Å; I161-C163 WeakPolarHBondContact CG2-O 3.42Å; C163-S178 VanDerWaalsContact CA-O 3.27Å; C163-S178 WeakPolarHBondContact CA-O 3.3Å; C163-S178 PolarHBondContact SG-O 2.75Å; C163-T179 HydrophobicContact CB-CG2 4.29Å
164A98.7Very high98.2Very high0 Ų023.6 Ų23.60%015%0.15CC..EExtended strand (participates in β ladder)trans-137.2161.6169.100000109.9F138 I161 S178 P285 F288 L289F138-A164 VanDerWaalsContact O-CA 3.31Å; F138-A164 WeakPolarHBondContact O-CA 3.43Å; F138-A164 WeakPolarHBondContact O-CB 3.45Å; I161-A164 HydrophobicContact CG2-CB 3.92Å; A164-S178 PolarHBondContact N-O 2.75Å; A164-S178 PolarHBondContact O-N 3.38Å; A164-P285 HydrophobicContact CB-CB 4.01Å; A164-F288 HydrophobicContact CB-CB 4.42Å; A164-F288 HydrophobicContact CB-CD1 3.81Å; A164-F288 HydrophobicContact CB-CE1 4.46Å; A164-F288 HydrophobicContact CB-CG 4.38Å; A164-L289 HydrophobicContact CB-CG 4.37Å; A164-L289 WeakPolarHBondContact O-CD2 3.47Å
165G98.7Very high98.3Very high0 Ų023.6 Ų23.60%015%0.15CC..EExtended strand (participates in β ladder)trans-165.2171.3174.300000112.5F138 A176F138-G165 WeakPolarHBondContact CD1-O 3.34Å; F138-G165 PolarHBondContact N-O 2.92Å; F138-G165 PolarHBondContact O-N 2.63Å; G165-A176 CarbonylContact C-O 3.5Å; G165-A176 WeakPolarHBondContact CA-O 3.33Å
166Y98.9Very high98.3Very high0 Ų023.1 Ų23.10%015%0.147CC..EExtended strand (participates in β ladder)trans-138149164.163.1-102.1000110.2T136 L174 V175 A176 V251 H255 I258 I286 L289T136-Y166 CarbonylContact O-C 3.53Å; T136-Y166 WeakPolarHBondContact O-CA 3.31Å; T136-Y166 WeakPolarHBondContact O-CB 3.38Å; Y166-L174 HydrophobicContact CE2-CD2 4.21Å; Y166-V175 CarbonylContact O-C 3.51Å; Y166-V175 WeakPolarHBondContact O-CA 3.43Å; Y166-A176 HydrophobicContact CD1-CB 3.9Å; Y166-A176 HydrophobicContact CD2-CB 4.02Å; Y166-A176 HydrophobicContact CE1-CB 3.44Å; Y166-A176 VanDerWaalsContact CE1-CB 3.44Å; Y166-A176 HydrophobicContact CE2-CB 3.57Å; Y166-A176 HydrophobicContact CG-CB 4.17Å; Y166-A176 PolarHBondContact N-O 3.43Å; Y166-A176 PolarHBondContact O-N 3.24Å; Y166-V251 HydrophobicContact CD2-CG2 3.28Å; Y166-V251 HydrophobicContact CE2-CG2 3.99Å; Y166-V251 HydrophobicContact CG-CG2 3.66Å; Y166-H255 HydrophobicContact CE2-CB 4.06Å; Y166-H255 AromaticContact CE2-ND1 3.8Å; Y166-H255 AromaticContact CZ-ND1 3.79Å; Y166-H255 PolarHBondContact OH-ND1 3.46Å; Y166-I258 HydrophobicContact CE1-CD1 4.08Å; Y166-I286 HydrophobicContact CD1-CD1 3.61Å; Y166-I286 HydrophobicContact CE1-CD1 4.26Å; Y166-I286 HydrophobicContact CG-CD1 4.38Å; Y166-L289 HydrophobicContact CD1-CD1 3.48Å; Y166-L289 VanDerWaalsContact CD1-CD1 3.48Å; Y166-L289 HydrophobicContact CE1-CD1 3.92Å
167A98.9Very high98.3Very high0 Ų022.4 Ų22.40%014%0.144CC..EExtended strand (participates in β ladder)trans-99.9132.5163.700000109.3I43 G135 T136 Y169 L174 V175I43-A167 HydrophobicContact CB-CB 4.4Å; I43-A167 HydrophobicContact CD1-CB 4.04Å; I43-A167 HydrophobicContact CG1-CB 4.01Å; I43-A167 HydrophobicContact CG2-CB 3.46Å; I43-A167 VanDerWaalsContact CG2-CB 3.46Å; G135-A167 CarbonylContact C-O 3.58Å; G135-A167 WeakPolarHBondContact CA-O 3.42Å; T136-A167 PolarHBondContact N-O 3.41Å; T136-A167 PolarHBondContact O-N 3.33Å; A167-Y169 HydrophobicContact CB-CE1 4Å; A167-L174 CarbonylContact C-O 3.42Å; A167-L174 VanDerWaalsContact CA-O 3.26Å; A167-L174 WeakPolarHBondContact CA-O 3.21Å; A167-V175 HydrophobicContact CB-CG2 4.14Å
168L98.8Very high98.2Very high20 Ų2019.5 Ų19.511%0.10513%0.13CC..EExtended strand (participates in β ladder)trans-104.3123.2170.9176.263.1000108.6T173 L174 V251 H255L168-T173 VanDerWaalsContact O-CA 3.25Å; L168-T173 WeakPolarHBondContact O-CA 3.48Å; L168-L174 PolarHBondContact N-O 3.48Å; L168-L174 PolarHBondContact O-N 3.04Å; L168-L174 VanDerWaalsContact O-N 3.11Å; L168-V251 HydrophobicContact CB-CG2 4.44Å; L168-V251 HydrophobicContact CD1-CG1 4.06Å; L168-V251 HydrophobicContact CD1-CG2 4.46Å; L168-H255 HydrophobicContact CD2-CB 4.05Å
169Y98.3Very high98Very high9 Ų921.7 Ų21.74%0.03514%0.144CC..EExtended strand (participates in β ladder)trans-100.769.3172.2-46.9-61000109I43 I46 V50 L122 I134 G135 T136 A167 T173I43-Y169 HydrophobicContact CG2-CE1 4.02Å; I46-Y169 HydrophobicContact CG2-CD2 4.39Å; I46-Y169 HydrophobicContact CG2-CE1 4.25Å; I46-Y169 HydrophobicContact CG2-CE2 3.58Å; I46-Y169 WeakPolarHBondContact CG2-OH 3.36Å; V50-Y169 HydrophobicContact CG2-CD2 4.39Å; L122-Y169 HydrophobicContact CD1-CD2 4.25Å; L122-Y169 HydrophobicContact CD1-CE2 4.06Å; I134-Y169 HydrophobicContact CG1-CD2 4.12Å; I134-Y169 WeakPolarHBondContact O-CA 3.42Å; I134-Y169 PolarHBondContact O-N 3.21Å; G135-Y169 VanDerWaalsContact CA-CD2 3.49Å; T136-Y169 WeakPolarHBondContact OG1-CE2 3.21Å; T136-Y169 PolarHBondContact OG1-OH 3.42Å; A167-Y169 HydrophobicContact CB-CE1 4Å; Y169-T173 HydrophobicContact CD1-CG2 4.2Å; Y169-T173 HydrophobicContact CE1-CG2 4.39Å
170G97.5Very high97.8Very high24 Ų2420.4 Ų20.425%0.24715%0.146CC..SBendtrans-99.2-145.3178.700000112.5S133 A172S133-G170 WeakPolarHBondContact OG-CA 3.18Å; G170-A172 CarbonylContact C-O 3.48Å; G170-A172 PolarHBondContact N-O 3.09Å; G170-A172 VanDerWaalsContact N-O 3.11Å; G170-A172 PolarHBondContact O-N 3.39Å
171S97.2Very high97.5Very high139 Ų13921.4 Ų21.497%0.97216%0.157SC*.SBendtrans-58.2-29.9171.254.80000112.8
172A97.6Very high97.3Very high36 Ų3621.3 Ų21.330%0.29816%0.16SC..SBendtrans-127.2164.916500000109.3G170 M187G170-A172 CarbonylContact C-O 3.48Å; G170-A172 PolarHBondContact N-O 3.09Å; G170-A172 VanDerWaalsContact N-O 3.11Å; G170-A172 PolarHBondContact O-N 3.39Å; A172-M187 HydrophobicContact CB-CE 4.42Å; A172-M187 HydrophobicContact CB-CG 4.39Å; A172-M187 HydrophobicContact CB-SD 4Å
173T98.7Very high97.4Very high2 Ų219.7 Ų19.71%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-96.2125.4169.5-80.40000110.8S47 R51 L168 Y169 L188 F195S47-T173 PolarHBondContact OG-OG1 2.81Å; R51-T173 PolarHBondContact NH1-OG1 3.09Å; R51-T173 VanDerWaalsContact NH2-CB 3.28Å; R51-T173 PolarHBondContact NH2-OG1 3.27Å; L168-T173 VanDerWaalsContact O-CA 3.25Å; L168-T173 WeakPolarHBondContact O-CA 3.48Å; Y169-T173 HydrophobicContact CD1-CG2 4.2Å; Y169-T173 HydrophobicContact CE1-CG2 4.39Å; T173-L188 HydrophobicContact CG2-CB 3.98Å; T173-L188 HydrophobicContact CG2-CD2 4.05Å; T173-L188 PolarHBondContact O-N 3.15Å; T173-F195 HydrophobicContact CG2-CE1 3.92Å; T173-F195 HydrophobicContact CG2-CZ 4.13Å
174L98.4Very high97.4Very high11 Ų1119.9 Ų19.96%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-125145-179.8177.6147.7000109.3Y166 A167 L168 A176 F185 F186 I198Y166-L174 HydrophobicContact CE2-CD2 4.21Å; A167-L174 CarbonylContact C-O 3.42Å; A167-L174 VanDerWaalsContact CA-O 3.26Å; A167-L174 WeakPolarHBondContact CA-O 3.21Å; L168-L174 PolarHBondContact N-O 3.48Å; L168-L174 PolarHBondContact O-N 3.04Å; L168-L174 VanDerWaalsContact O-N 3.11Å; L174-A176 HydrophobicContact CD2-CB 4.18Å; L174-F185 HydrophobicContact CD1-CB 4.12Å; L174-F185 HydrophobicContact CD1-CD2 4.48Å; L174-F185 HydrophobicContact CD1-CG 4.27Å; L174-F185 HydrophobicContact CD2-CD1 4.24Å; L174-F185 HydrophobicContact CD2-CG 4.45Å; L174-F186 CarbonylContact C-O 3.6Å; L174-F186 VanDerWaalsContact CA-O 3.27Å; L174-F186 WeakPolarHBondContact CA-O 3.5Å; L174-I198 HydrophobicContact CD1-CD1 3.77Å
175V98.7Very high97.4Very high0 Ų020 Ų200%015%0.151CC..EExtended strand (participates in β ladder)trans-115.4123.8165.8169.20000108.4L14 L40 I43 Y166 A167 L177 F186 F195L14-V175 HydrophobicContact CD2-CB 4.49Å; L14-V175 HydrophobicContact CD2-CG1 4.19Å; L40-V175 HydrophobicContact CD2-CG1 4.21Å; L40-V175 HydrophobicContact CD2-CG2 4.18Å; I43-V175 HydrophobicContact CD1-CG2 4.24Å; I43-V175 HydrophobicContact CG2-CG2 4.07Å; Y166-V175 CarbonylContact O-C 3.51Å; Y166-V175 WeakPolarHBondContact O-CA 3.43Å; A167-V175 HydrophobicContact CB-CG2 4.14Å; V175-L177 HydrophobicContact CG1-CB 4.33Å; V175-F186 PolarHBondContact N-O 2.87Å; V175-F186 PolarHBondContact O-N 2.98Å; V175-F195 HydrophobicContact CB-CD1 4.28Å; V175-F195 HydrophobicContact CB-CE1 4.14Å; V175-F195 HydrophobicContact CG2-CD1 4.02Å; V175-F195 HydrophobicContact CG2-CE1 3.44Å; V175-F195 VanDerWaalsContact CG2-CE1 3.44Å; V175-F195 HydrophobicContact CG2-CE2 4.23Å; V175-F195 HydrophobicContact CG2-CZ 3.59Å
176A98.7Very high97.4Very high0 Ų020 Ų200%015%0.151CC..EExtended strand (participates in β ladder)trans-96.3128165.800000108.5G165 Y166 L174 L183 N184 F185G165-A176 CarbonylContact C-O 3.5Å; G165-A176 WeakPolarHBondContact CA-O 3.33Å; Y166-A176 HydrophobicContact CD1-CB 3.9Å; Y166-A176 HydrophobicContact CD2-CB 4.02Å; Y166-A176 HydrophobicContact CE1-CB 3.44Å; Y166-A176 VanDerWaalsContact CE1-CB 3.44Å; Y166-A176 HydrophobicContact CE2-CB 3.57Å; Y166-A176 HydrophobicContact CG-CB 4.17Å; Y166-A176 PolarHBondContact N-O 3.43Å; Y166-A176 PolarHBondContact O-N 3.24Å; L174-A176 HydrophobicContact CD2-CB 4.18Å; A176-L183 HydrophobicContact CB-CD1 4.22Å; A176-N184 WeakPolarHBondContact CA-O 3.17Å; A176-F185 HydrophobicContact CB-CD1 3.65Å; A176-F185 HydrophobicContact CB-CE1 3.6Å
177L98.4Very high97.4Very high4 Ų423.5 Ų23.52%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-138.2139.7-174.4-169.577.8000111.3L14 I18 L36 F138 V175 N184 F186L14-L177 HydrophobicContact CD1-CD2 3.82Å; I18-L177 HydrophobicContact CD1-CD2 4.36Å; I18-L177 HydrophobicContact CG1-CD2 4.28Å; L36-L177 HydrophobicContact CD1-CD2 4.5Å; L36-L177 HydrophobicContact CD2-CD1 4.14Å; F138-L177 HydrophobicContact CE2-CD1 4.03Å; F138-L177 HydrophobicContact CZ-CD1 3.68Å; V175-L177 HydrophobicContact CG1-CB 4.33Å; L177-N184 PolarHBondContact N-O 2.88Å; L177-N184 PolarHBondContact O-N 2.96Å; L177-F186 HydrophobicContact CB-CE2 4.24Å
178S97.5Very high97.4Very high1 Ų124.3 Ų24.31%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-138.4141.9165-173.80000111.7C163 A164 G180 G182 Q292C163-S178 VanDerWaalsContact CA-O 3.27Å; C163-S178 WeakPolarHBondContact CA-O 3.3Å; C163-S178 PolarHBondContact SG-O 2.75Å; A164-S178 PolarHBondContact N-O 2.75Å; A164-S178 PolarHBondContact O-N 3.38Å; S178-G180 PolarHBondContact OG-N 2.79Å; S178-G180 VanDerWaalsContact OG-N 3.16Å; S178-G182 WeakPolarHBondContact CB-O 3.32Å; S178-G182 PolarHBondContact OG-O 3.38Å; S178-Q292 WeakPolarHBondContact OG-CG 3.42Å
179T94.2Very high97.3Very high45 Ų4526.4 Ų26.428%0.27618%0.184SC..SBendtrans-109.723.2170.261.20000111.7V162 C163V162-T179 CarbonylContact O-C 3.55Å; V162-T179 WeakPolarHBondContact O-CA 3.15Å; C163-T179 HydrophobicContact CB-CG2 4.29Å
180G92.6Very high97.2Very high40 Ų4031 Ų3141%0.41222%0.215SC..SBendtrans89.83-177.300000115.3S178 Q292S178-G180 PolarHBondContact OG-N 2.79Å; S178-G180 VanDerWaalsContact OG-N 3.16Å; G180-Q292 PolarHBondContact O-OE1 3.49Å
181A92.1Very high97.1Very high72 Ų7234.2 Ų34.260%0.59524%0.239SC*.SBendtrans-123.654.5179.500000111.4
182G95.7Very high97.1Very high10 Ų1032.9 Ų32.910%0.10322%0.22CC..  trans89.9163.9-178.400000113.6S178S178-G182 WeakPolarHBondContact CB-O 3.32Å; S178-G182 PolarHBondContact OG-O 3.38Å
183L98.3Very high97Very high0 Ų032.2 Ų32.20%022%0.217CC..EExtended strand (participates in β ladder)trans-97.1138.1177.7179.362.3000110.5A176 F185 N201 V202 I258 L289 Q292 A293A176-L183 HydrophobicContact CB-CD1 4.22Å; L183-F185 HydrophobicContact CD1-CE1 4.46Å; L183-F185 HydrophobicContact CD2-CE1 3.88Å; L183-F185 HydrophobicContact CD2-CZ 4.32Å; L183-F185 HydrophobicContact CG-CE1 4.09Å; L183-N201 CarbonylContact O-C 3.54Å; L183-N201 WeakPolarHBondContact O-CA 3.48Å; L183-N201 PolarHBondContact O-N 2.87Å; L183-N201 VanDerWaalsContact O-N 3.11Å; L183-V202 HydrophobicContact CB-CB 4.17Å; L183-V202 HydrophobicContact CD2-CB 4.11Å; L183-V202 HydrophobicContact CD2-CG1 4.2Å; L183-V202 HydrophobicContact CG-CB 4.06Å; L183-V202 HydrophobicContact CG-CG2 4.42Å; L183-V202 PolarHBondContact O-N 3.09Å; L183-I258 HydrophobicContact CD2-CD1 4.12Å; L183-I258 HydrophobicContact CD2-CG2 3.83Å; L183-L289 HydrophobicContact CD1-CB 4.24Å; L183-L289 HydrophobicContact CD1-CD2 3.52Å; L183-L289 HydrophobicContact CD1-CG 4.41Å; L183-Q292 HydrophobicContact CB-CB 4.4Å; L183-A293 HydrophobicContact CB-CB 4.42Å; L183-A293 HydrophobicContact CD2-CB 3.83Å
184N98.4Very high96.9Very high4 Ų435 Ų352%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-133.6144.9178.5-56.7-81.3000110.4F17 A176 L177 F186 L197 E199 R200 N201F17-N184 WeakPolarHBondContact CZ-ND2 3.32Å; A176-N184 WeakPolarHBondContact CA-O 3.17Å; L177-N184 PolarHBondContact N-O 2.88Å; L177-N184 PolarHBondContact O-N 2.96Å; N184-F186 HydrophobicContact CB-CD2 4.48Å; N184-F186 HydrophobicContact CB-CE2 3.53Å; N184-F186 HydrophobicContact CB-CZ 3.83Å; N184-L197 HydrophobicContact CB-CD1 4.04Å; N184-E199 WeakPolarHBondContact CA-O 3.16Å; N184-R200 WeakPolarHBondContact OD1-CA 3.26Å; N184-R200 VanDerWaalsContact OD1-CG 3.31Å; N184-R200 WeakPolarHBondContact OD1-CG 3.4Å; N184-N201 PolarHBondContact OD1-N 3.5Å
185F98.5Very high96.9Very high4 Ų434.6 Ų34.62%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-111133.6177.7-66.9-19.3000111.2L174 A176 L183 I198 E199 V202 H255 I258L174-F185 HydrophobicContact CD1-CB 4.12Å; L174-F185 HydrophobicContact CD1-CD2 4.48Å; L174-F185 HydrophobicContact CD1-CG 4.27Å; L174-F185 HydrophobicContact CD2-CD1 4.24Å; L174-F185 HydrophobicContact CD2-CG 4.45Å; A176-F185 HydrophobicContact CB-CD1 3.65Å; A176-F185 HydrophobicContact CB-CE1 3.6Å; L183-F185 HydrophobicContact CD1-CE1 4.46Å; L183-F185 HydrophobicContact CD2-CE1 3.88Å; L183-F185 HydrophobicContact CD2-CZ 4.32Å; L183-F185 HydrophobicContact CG-CE1 4.09Å; F185-I198 HydrophobicContact CB-CD1 4.09Å; F185-I198 HydrophobicContact CB-CG1 3.79Å; F185-I198 VanDerWaalsContact O-CG1 3.31Å; F185-I198 WeakPolarHBondContact O-CG1 3.16Å; F185-I198 PolarHBondContact O-N 3.38Å; F185-E199 HydrophobicContact CB-CB 4.08Å; F185-E199 HydrophobicContact CD2-CB 4.14Å; F185-E199 HydrophobicContact CG-CB 4.47Å; F185-E199 PolarHBondContact N-O 3.42Å; F185-E199 PolarHBondContact O-N 2.98Å; F185-V202 HydrophobicContact CB-CG2 4.48Å; F185-V202 HydrophobicContact CD1-CG2 4.01Å; F185-V202 HydrophobicContact CD2-CG1 4.45Å; F185-V202 HydrophobicContact CD2-CG2 3.69Å; F185-V202 HydrophobicContact CE1-CG1 4.43Å; F185-V202 HydrophobicContact CE1-CG2 4.17Å; F185-V202 HydrophobicContact CE2-CB 4.45Å; F185-V202 HydrophobicContact CE2-CG1 3.78Å; F185-V202 HydrophobicContact CE2-CG2 3.86Å; F185-V202 HydrophobicContact CG-CG2 3.78Å; F185-V202 HydrophobicContact CZ-CB 4.44Å; F185-V202 HydrophobicContact CZ-CG1 3.79Å; F185-V202 HydrophobicContact CZ-CG2 4.11Å; F185-H255 AromaticContact CE2-CE1 3.9Å; F185-H255 AromaticContact CZ-CE1 3.93Å; F185-I258 HydrophobicContact CE1-CG2 4.48Å; F185-I258 HydrophobicContact CZ-CB 4.41Å; F185-I258 HydrophobicContact CZ-CG2 3.7Å
186F98.5Very high96.8Very high0 Ų036.4 Ų36.40%024%0.237CC..EExtended strand (participates in β ladder)trans-127.3130.8178.4-53.7-100.1000109.9L14 F17 L174 V175 L177 N184 F195 I196 L197L14-F186 HydrophobicContact CB-CD1 3.75Å; L14-F186 HydrophobicContact CB-CE1 4.12Å; L14-F186 HydrophobicContact CB-CG 4.13Å; L14-F186 HydrophobicContact CD1-CD1 3.73Å; L14-F186 HydrophobicContact CD1-CD2 3.62Å; L14-F186 HydrophobicContact CD1-CE1 3.54Å; L14-F186 HydrophobicContact CD1-CE2 3.44Å; L14-F186 VanDerWaalsContact CD1-CE2 3.44Å; L14-F186 HydrophobicContact CD1-CG 3.77Å; L14-F186 HydrophobicContact CD1-CZ 3.41Å; L14-F186 VanDerWaalsContact CD1-CZ 3.41Å; L14-F186 HydrophobicContact CD2-CB 4.38Å; L14-F186 HydrophobicContact CD2-CD2 4.36Å; L14-F186 HydrophobicContact CD2-CG 4.22Å; L14-F186 HydrophobicContact CG-CD1 4.24Å; L14-F186 HydrophobicContact CG-CD2 4.49Å; L14-F186 HydrophobicContact CG-CE1 4.42Å; L14-F186 HydrophobicContact CG-CG 4.29Å; F17-F186 HydrophobicContact CB-CE1 3.94Å; F17-F186 HydrophobicContact CB-CZ 4.14Å; F17-F186 HydrophobicContact CD1-CE1 4.38Å; F17-F186 AromaticContact CD1-CZ 3.71Å; F17-F186 HydrophobicContact CD1-CZ 3.71Å; F17-F186 HydrophobicContact CD2-CE1 4.4Å; F17-F186 HydrophobicContact CD2-CZ 4.11Å; F17-F186 HydrophobicContact CE1-CZ 4.13Å; F17-F186 HydrophobicContact CE2-CZ 4.48Å; F17-F186 AromaticContact CG-CE1 3.99Å; F17-F186 HydrophobicContact CG-CE1 3.99Å; F17-F186 AromaticContact CG-CZ 3.71Å; F17-F186 HydrophobicContact CG-CZ 3.71Å; F17-F186 HydrophobicContact CZ-CZ 4.5Å; L174-F186 CarbonylContact C-O 3.6Å; L174-F186 VanDerWaalsContact CA-O 3.27Å; L174-F186 WeakPolarHBondContact CA-O 3.5Å; V175-F186 PolarHBondContact N-O 2.87Å; V175-F186 PolarHBondContact O-N 2.98Å; L177-F186 HydrophobicContact CB-CE2 4.24Å; N184-F186 HydrophobicContact CB-CD2 4.48Å; N184-F186 HydrophobicContact CB-CE2 3.53Å; N184-F186 HydrophobicContact CB-CZ 3.83Å; F186-F195 HydrophobicContact CB-CB 3.97Å; F186-F195 HydrophobicContact CB-CD1 4.42Å; F186-I196 CarbonylContact C-O 3.42Å; F186-I196 WeakPolarHBondContact CA-O 3.36Å; F186-L197 HydrophobicContact CD1-CB 3.83Å; F186-L197 HydrophobicContact CD1-CD1 4.03Å; F186-L197 HydrophobicContact CE1-CB 3.75Å; F186-L197 HydrophobicContact CE1-CD1 3.54Å; F186-L197 HydrophobicContact CE1-CG 4.2Å; F186-L197 HydrophobicContact CE2-CD1 4.28Å; F186-L197 HydrophobicContact CZ-CD1 3.67Å
187M98.5Very high96.8Very high73 Ų7338 Ų3836%0.3625%0.245SC..EExtended strand (participates in β ladder)trans-101.5136.2177.6-166.7167.9-63.100110.4A172 D189 F195 I196 I198A172-M187 HydrophobicContact CB-CE 4.42Å; A172-M187 HydrophobicContact CB-CG 4.39Å; A172-M187 HydrophobicContact CB-SD 4Å; M187-D189 PolarHBondContact O-N 2.91Å; M187-F195 CarbonylContact O-C 3.59Å; M187-F195 WeakPolarHBondContact O-CA 3.35Å; M187-I196 PolarHBondContact N-O 2.88Å; M187-I196 PolarHBondContact O-N 2.91Å; M187-I198 HydrophobicContact CB-CD1 4.23Å; M187-I198 HydrophobicContact CB-CG2 3.63Å; M187-I198 HydrophobicContact CE-CD1 3.7Å
188L98.6Very high96.7Very high17 Ų1741.8 Ų41.89%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-71.4119.6172.9-17961.9000109.4K44 S47 T173 P190 F195K44-L188 HydrophobicContact CD-CD1 4.04Å; K44-L188 HydrophobicContact CG-CD1 4.04Å; S47-L188 WeakPolarHBondContact OG-CD2 3.34Å; T173-L188 HydrophobicContact CG2-CB 3.98Å; T173-L188 HydrophobicContact CG2-CD2 4.05Å; T173-L188 PolarHBondContact O-N 3.15Å; L188-P190 VanDerWaalsContact O-CD 3.28Å; L188-P190 WeakPolarHBondContact O-CD 3.16Å; L188-F195 HydrophobicContact CB-CD1 3.91Å; L188-F195 HydrophobicContact CB-CE1 3.6Å; L188-F195 HydrophobicContact CB-CZ 4.17Å; L188-F195 HydrophobicContact CD1-CD1 4.49Å; L188-F195 HydrophobicContact CD1-CD2 4.45Å; L188-F195 HydrophobicContact CD1-CE1 4.34Å; L188-F195 HydrophobicContact CD1-CE2 4.3Å; L188-F195 HydrophobicContact CD1-CZ 4.22Å; L188-F195 HydrophobicContact CG-CE1 4.45Å
189D97.5Very high96.7Very high64 Ų6446 Ų4634%0.34228%0.284SS..EExtended strand (participates in β ladder)trans-81.5110.4159.2-174.5-30.2000108.4M187 A191 I192 G193 E194 I196M187-D189 PolarHBondContact O-N 2.91Å; D189-A191 VanDerWaalsContact C-N 3.27Å; D189-A191 PolarHBondContact O-N 3.06Å; D189-A191 VanDerWaalsContact OD1-CB 3.29Å; D189-A191 WeakPolarHBondContact OD1-CB 3.31Å; D189-A191 PolarHBondContact OD1-N 3.47Å; D189-I192 HydrophobicContact CB-CD1 4.3Å; D189-I192 HydrophobicContact CB-CG1 3.82Å; D189-G193 WeakPolarHBondContact O-CA 3.17Å; D189-G193 PolarHBondContact O-N 3.04Å; D189-E194 PolarHBondContact N-O 3.02Å; D189-E194 PolarHBondContact O-N 3.31Å; D189-I196 HydrophobicContact CB-CG1 4.38Å
190P95.6Very high96.8Very high104 Ų10450.7 Ų50.768%0.67530%0.297SS*.THydrogen-bonded Turntrans-70.5-20.4-177.5-17.132.9000113.8L188L188-P190 VanDerWaalsContact O-CD 3.28Å; L188-P190 WeakPolarHBondContact O-CD 3.16Å
191A96.3Very high96.9Very high92 Ų9253 Ų5376%0.7630%0.3SS*.THydrogen-bonded Turntrans-73.1-36.7-176.600000111.7D189D189-A191 VanDerWaalsContact C-N 3.27Å; D189-A191 PolarHBondContact O-N 3.06Å; D189-A191 VanDerWaalsContact OD1-CB 3.29Å; D189-A191 WeakPolarHBondContact OD1-CB 3.31Å; D189-A191 PolarHBondContact OD1-N 3.47Å
192I95.4Very high97.2Very high111 Ų11149.7 Ų49.757%0.56927%0.272SS*.THydrogen-bonded Turntrans-108.6-12.5179.360.4170.9000113.2D189 E194 I196D189-I192 HydrophobicContact CB-CD1 4.3Å; D189-I192 HydrophobicContact CB-CG1 3.82Å; I192-E194 HydrophobicContact CD1-CB 3.85Å; I192-E194 HydrophobicContact CD1-CG 4.22Å; I192-E194 HydrophobicContact CG1-CB 3.99Å; I192-E194 HydrophobicContact CG1-CG 4.37Å; I192-I196 HydrophobicContact CD1-CD1 4.49Å
193G96.2Very high97.4Very high23 Ų2357.2 Ų57.224%0.23730%0.297CS..THydrogen-bonded Turntrans71.930.9179.400000113.7K44 D189K44-G193 WeakPolarHBondContact CD-O 3.29Å; K44-G193 PolarHBondContact NZ-O 3.38Å; D189-G193 WeakPolarHBondContact O-CA 3.17Å; D189-G193 PolarHBondContact O-N 3.04Å
194E96.9Very high97.4Very high59 Ų5957.6 Ų57.628%0.27630%0.299SS..EExtended strand (participates in β ladder)trans-117.4144.1-178.9-75-62.3146.900111.9T13 D189 I192 I196T13-E194 HydrophobicContact CG2-CB 4.46Å; D189-E194 PolarHBondContact N-O 3.02Å; D189-E194 PolarHBondContact O-N 3.31Å; I192-E194 HydrophobicContact CD1-CB 3.85Å; I192-E194 HydrophobicContact CD1-CG 4.22Å; I192-E194 HydrophobicContact CG1-CB 3.99Å; I192-E194 HydrophobicContact CG1-CG 4.37Å; E194-I196 HydrophobicContact CB-CD1 3.96Å
195F98.3Very high97.4Very high4 Ų463 Ų632%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-88.9117.2172.2-78.2-75.6000109.3T13 L14 L40 I43 K44 T173 V175 F186 M187 L188T13-F195 CarbonylContact C-O 3.53Å; T13-F195 VanDerWaalsContact CA-O 3.26Å; T13-F195 WeakPolarHBondContact CA-O 3.5Å; L14-F195 HydrophobicContact CB-CB 3.6Å; L14-F195 HydrophobicContact CD2-CB 3.85Å; L14-F195 HydrophobicContact CD2-CD2 4.27Å; L14-F195 HydrophobicContact CD2-CG 4.13Å; L14-F195 HydrophobicContact CG-CB 4.42Å; L14-F195 PolarHBondContact N-O 2.97Å; L40-F195 HydrophobicContact CB-CE2 4.44Å; L40-F195 HydrophobicContact CD2-CD2 4.16Å; L40-F195 HydrophobicContact CD2-CE2 4.12Å; I43-F195 HydrophobicContact CG2-CE2 4.39Å; I43-F195 HydrophobicContact CG2-CZ 3.78Å; K44-F195 HydrophobicContact CD-CE2 4.3Å; K44-F195 HydrophobicContact CG-CE2 3.73Å; K44-F195 HydrophobicContact CG-CZ 4.29Å; T173-F195 HydrophobicContact CG2-CE1 3.92Å; T173-F195 HydrophobicContact CG2-CZ 4.13Å; V175-F195 HydrophobicContact CB-CD1 4.28Å; V175-F195 HydrophobicContact CB-CE1 4.14Å; V175-F195 HydrophobicContact CG2-CD1 4.02Å; V175-F195 HydrophobicContact CG2-CE1 3.44Å; V175-F195 VanDerWaalsContact CG2-CE1 3.44Å; V175-F195 HydrophobicContact CG2-CE2 4.23Å; V175-F195 HydrophobicContact CG2-CZ 3.59Å; F186-F195 HydrophobicContact CB-CB 3.97Å; F186-F195 HydrophobicContact CB-CD1 4.42Å; M187-F195 CarbonylContact O-C 3.59Å; M187-F195 WeakPolarHBondContact O-CA 3.35Å; L188-F195 HydrophobicContact CB-CD1 3.91Å; L188-F195 HydrophobicContact CB-CE1 3.6Å; L188-F195 HydrophobicContact CB-CZ 4.17Å; L188-F195 HydrophobicContact CD1-CD1 4.49Å; L188-F195 HydrophobicContact CD1-CD2 4.45Å; L188-F195 HydrophobicContact CD1-CE1 4.34Å; L188-F195 HydrophobicContact CD1-CE2 4.3Å; L188-F195 HydrophobicContact CD1-CZ 4.22Å; L188-F195 HydrophobicContact CG-CE1 4.45Å
196I97.7Very high97.4Very high37 Ų3768.1 Ų68.119%0.1935%0.347CS..EExtended strand (participates in β ladder)trans-103131.6-177.3-51.1-49.8000109.7V11 T13 F186 M187 D189 I192 E194 I198V11-I196 HydrophobicContact CG1-CB 4.45Å; V11-I196 HydrophobicContact CG1-CD1 3.76Å; V11-I196 HydrophobicContact CG1-CG1 4.33Å; V11-I196 HydrophobicContact CG1-CG2 3.47Å; V11-I196 VanDerWaalsContact CG1-CG2 3.47Å; T13-I196 HydrophobicContact CG2-CD1 3.89Å; F186-I196 CarbonylContact C-O 3.42Å; F186-I196 WeakPolarHBondContact CA-O 3.36Å; M187-I196 PolarHBondContact N-O 2.88Å; M187-I196 PolarHBondContact O-N 2.91Å; D189-I196 HydrophobicContact CB-CG1 4.38Å; I192-I196 HydrophobicContact CD1-CD1 4.49Å; E194-I196 HydrophobicContact CB-CD1 3.96Å; I196-I198 PolarHBondContact O-N 3.27Å
197L97.3Very high97.4Very high33 Ų3373.1 Ų73.117%0.17337%0.368CS..EExtended strand (participates in β ladder)trans-60.5119175.2-178.668.5000109.6W12 N184 F186 E199 R200W12-L197 HydrophobicContact CB-CB 3.84Å; W12-L197 HydrophobicContact CB-CD2 3.95Å; W12-L197 HydrophobicContact CG-CD2 4.39Å; W12-L197 WeakPolarHBondContact O-CB 3.31Å; W12-L197 PolarHBondContact O-N 3.4Å; N184-L197 HydrophobicContact CB-CD1 4.04Å; F186-L197 HydrophobicContact CD1-CB 3.83Å; F186-L197 HydrophobicContact CD1-CD1 4.03Å; F186-L197 HydrophobicContact CE1-CB 3.75Å; F186-L197 HydrophobicContact CE1-CD1 3.54Å; F186-L197 HydrophobicContact CE1-CG 4.2Å; F186-L197 HydrophobicContact CE2-CD1 4.28Å; F186-L197 HydrophobicContact CZ-CD1 3.67Å; L197-E199 WeakPolarHBondContact CD1-O 3.49Å; L197-R200 HydrophobicContact CD1-CB 4.45Å; L197-R200 HydrophobicContact CD2-CB 4.23Å; L197-R200 HydrophobicContact CD2-CG 4.42Å
198I96.9Very high97.4Very high84 Ų8470 Ų7043%0.43136%0.355SS..EExtended strand (participates in β ladder)trans-108-26.1177.260.3164.3000112.2L174 F185 M187 I196L174-I198 HydrophobicContact CD1-CD1 3.77Å; F185-I198 HydrophobicContact CB-CD1 4.09Å; F185-I198 HydrophobicContact CB-CG1 3.79Å; F185-I198 VanDerWaalsContact O-CG1 3.31Å; F185-I198 WeakPolarHBondContact O-CG1 3.16Å; F185-I198 PolarHBondContact O-N 3.38Å; M187-I198 HydrophobicContact CB-CD1 4.23Å; M187-I198 HydrophobicContact CB-CG2 3.63Å; M187-I198 HydrophobicContact CE-CD1 3.7Å; I196-I198 PolarHBondContact O-N 3.27Å
199E96.6Very high97.3Very high91 Ų9177.2 Ų77.243%0.42539%0.385SS..EExtended strand (participates in β ladder)trans-149.6126179.9-159.4177.3154.600110.1N184 F185 L197 V202N184-E199 WeakPolarHBondContact CA-O 3.16Å; F185-E199 HydrophobicContact CB-CB 4.08Å; F185-E199 HydrophobicContact CD2-CB 4.14Å; F185-E199 HydrophobicContact CG-CB 4.47Å; F185-E199 PolarHBondContact N-O 3.42Å; F185-E199 PolarHBondContact O-N 2.98Å; L197-E199 WeakPolarHBondContact CD1-O 3.49Å; E199-V202 HydrophobicContact CB-CG2 3.97Å; E199-V202 HydrophobicContact CG-CG2 3.81Å
200R96.3Very high97.4Very high142 Ų14275.6 Ų75.654%0.53638%0.377SS..EExtended strand (participates in β ladder)trans-107.5139.8-177.7-166.6179-177.2163.41.6109.9N184 L197 V202N184-R200 WeakPolarHBondContact OD1-CA 3.26Å; N184-R200 VanDerWaalsContact OD1-CG 3.31Å; N184-R200 WeakPolarHBondContact OD1-CG 3.4Å; L197-R200 HydrophobicContact CD1-CB 4.45Å; L197-R200 HydrophobicContact CD2-CB 4.23Å; L197-R200 HydrophobicContact CD2-CG 4.42Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.3Å
201N96.2Very high97.5Very high89 Ų8971.2 Ų71.248%0.47635%0.347SS..EExtended strand (participates in β ladder)trans51.948.3178.8-61.7-38.1000113L183 N184 R203L183-N201 CarbonylContact O-C 3.54Å; L183-N201 WeakPolarHBondContact O-CA 3.48Å; L183-N201 PolarHBondContact O-N 2.87Å; L183-N201 VanDerWaalsContact O-N 3.11Å; N184-N201 PolarHBondContact OD1-N 3.5Å; N201-R203 PolarHBondContact O-N 3.29Å
202V98.4Very high97.7Very high3 Ų366.8 Ų66.82%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-50.6132.2178.2-178.60000109.8L183 F185 E199 R200 I258 A293L183-V202 HydrophobicContact CB-CB 4.17Å; L183-V202 HydrophobicContact CD2-CB 4.11Å; L183-V202 HydrophobicContact CD2-CG1 4.2Å; L183-V202 HydrophobicContact CG-CB 4.06Å; L183-V202 HydrophobicContact CG-CG2 4.42Å; L183-V202 PolarHBondContact O-N 3.09Å; F185-V202 HydrophobicContact CB-CG2 4.48Å; F185-V202 HydrophobicContact CD1-CG2 4.01Å; F185-V202 HydrophobicContact CD2-CG1 4.45Å; F185-V202 HydrophobicContact CD2-CG2 3.69Å; F185-V202 HydrophobicContact CE1-CG1 4.43Å; F185-V202 HydrophobicContact CE1-CG2 4.17Å; F185-V202 HydrophobicContact CE2-CB 4.45Å; F185-V202 HydrophobicContact CE2-CG1 3.78Å; F185-V202 HydrophobicContact CE2-CG2 3.86Å; F185-V202 HydrophobicContact CG-CG2 3.78Å; F185-V202 HydrophobicContact CZ-CB 4.44Å; F185-V202 HydrophobicContact CZ-CG1 3.79Å; F185-V202 HydrophobicContact CZ-CG2 4.11Å; E199-V202 HydrophobicContact CB-CG2 3.97Å; E199-V202 HydrophobicContact CG-CG2 3.81Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.3Å; V202-I258 HydrophobicContact CG1-CG2 3.74Å; V202-A293 WeakPolarHBondContact O-CA 3.33Å
203R98.6Very high97.8Very high167 Ų16761.9 Ų61.963%0.6329%0.285SS*.  trans-124131.2175.5-66.5-57.8-157.5-169.77.2110.5N201 Q292 A293N201-R203 PolarHBondContact O-N 3.29Å; R203-Q292 PolarHBondContact NH1-O 3.44Å; R203-A293 VanDerWaalsContact CA-O 3.31Å; R203-A293 WeakPolarHBondContact CA-O 3.47Å; R203-A293 WeakPolarHBondContact CD-O 3.4Å
204I98.6Very high97.9Very high8 Ų863.3 Ų63.34%0.04129%0.287CS..  trans-74.2150.7171.5-166.9169.8000110.1T257 M290 A293I204-T257 HydrophobicContact CD1-CG2 4.24Å; I204-T257 VanDerWaalsContact CD1-O 3.31Å; I204-T257 WeakPolarHBondContact CD1-O 3.45Å; I204-M290 HydrophobicContact CD1-CE 4.21Å; I204-M290 HydrophobicContact CD1-SD 3.49Å; I204-M290 WeakPolarHBondContact CD1-SD 3.48Å; I204-M290 HydrophobicContact CG2-SD 4.5Å; I204-A293 HydrophobicContact CB-CB 4.45Å; I204-A293 PolarHBondContact N-O 3.45Å
205K98.7Very high98Very high117 Ų11763 Ų6351%0.50929%0.286SS..  trans-66.1147.7172.7-60.7179.8-169.8158.80110.8K207 Y260 S322K205-K207 VanDerWaalsContact C-N 3.32Å; K205-K207 PolarHBondContact O-N 3.02Å; K205-Y260 WeakPolarHBondContact CD-O 3.43Å; K205-Y260 WeakPolarHBondContact CE-O 3.45Å; K205-Y260 PolarHBondContact NZ-O 3.17Å; K205-S322 VanDerWaalsContact O-CB 3.28Å; K205-S322 WeakPolarHBondContact O-CB 3.41Å; K205-S322 PolarHBondContact O-OG 2.92Å
206Q98.6Very high97.9Very high112 Ų11265.9 Ų65.952%0.52332%0.316SS..SBendtrans-60.2-41.4176.1-67.3-57-49.200112.6S322 P323 D324Q206-S322 CarbonylContact O-C 3.43Å; Q206-S322 WeakPolarHBondContact O-CB 3.16Å; Q206-P323 WeakPolarHBondContact O-CD 3.41Å; Q206-D324 VanDerWaalsContact O-CB 3.31Å; Q206-D324 WeakPolarHBondContact O-CB 3.41Å; Q206-D324 PolarHBondContact O-N 3.23Å
207K98.3Very high97.9Very high105 Ų10567.2 Ų67.246%0.45732%0.32SS..SBendtrans-134.1137.1174.7-167166.1-175.41660110.7K205 Y242 D324K205-K207 VanDerWaalsContact C-N 3.32Å; K205-K207 PolarHBondContact O-N 3.02Å; K207-Y242 WeakPolarHBondContact CE-OH 3.31Å; K207-D324 HydrophobicContact CB-CB 3.91Å; K207-D324 HydrophobicContact CD-CB 4.24Å; K207-D324 HydrophobicContact CG-CB 4.13Å
208G97.6Very high97.9Very high7 Ų770.1 Ų70.17%0.07233%0.332CS..  trans-101.6-164.4175.300000113.8Y242 D325G208-Y242 PolarHBondContact O-OH 3.3Å; G208-D325 WeakPolarHBondContact CA-OD2 3.41Å; G208-D325 PolarHBondContact N-OD2 3.02Å
209K98Very high97.9Very high169 Ų16974.3 Ų74.374%0.73535%0.347SS*.SBendtrans-140.117.2176.6-59.9-174.9179.5-176.60112.1Y242 G243K209-Y242 WeakPolarHBondContact O-CA 3.49Å; K209-G243 PolarHBondContact O-N 3.2Å
210I98.8Very high97.9Very high31 Ų3172.5 Ų72.516%0.15934%0.337CS..EExtended strand (participates in β ladder)trans-131.5134.1-175-61.6173.2000108.6Y242 G243 R245 G262 I263I210-Y242 VanDerWaalsContact N-CD2 3.33Å; I210-G243 VanDerWaalsContact CA-O 3.26Å; I210-G243 WeakPolarHBondContact CA-O 3.4Å; I210-R245 HydrophobicContact CG2-CB 3.88Å; I210-R245 HydrophobicContact CG2-CG 3.96Å; I210-G262 VanDerWaalsContact O-CA 3.24Å; I210-G262 WeakPolarHBondContact O-CA 3.39Å; I210-I263 PolarHBondContact O-N 2.71Å
211Y98.8Very high98Very high11 Ų1166.3 Ų66.34%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-113.8145.1161.972.5-90.6000109.6E215 L229 K232 K233 G243 A244 R245 I263Y211-E215 HydrophobicContact CE2-CG 4.49Å; Y211-E215 WeakPolarHBondContact CE2-OE1 3.42Å; Y211-E215 VanDerWaalsContact CZ-OE1 3.26Å; Y211-E215 PolarHBondContact OH-OE1 2.98Å; Y211-L229 HydrophobicContact CD2-CD2 3.82Å; Y211-L229 HydrophobicContact CE2-CD2 3.82Å; Y211-K232 HydrophobicContact CD1-CB 4.09Å; Y211-K232 HydrophobicContact CE1-CB 4.37Å; Y211-K233 WeakPolarHBondContact OH-CE 3.21Å; Y211-G243 PolarHBondContact N-O 3.03Å; Y211-G243 VanDerWaalsContact N-O 3.17Å; Y211-A244 HydrophobicContact CE1-CB 4.09Å; Y211-A244 HydrophobicContact CE2-CB 4.03Å; Y211-R245 PolarHBondContact O-N 3.06Å; Y211-R245 VanDerWaalsContact O-N 3.1Å; Y211-I263 CarbonylContact C-O 3.59Å; Y211-I263 WeakPolarHBondContact CA-O 3.46Å
212S98.8Very high98Very high0 Ų066.6 Ų66.60%031%0.312CS..EExtended strand (participates in β ladder)trans-131.5106.4-176.4-178.90000111.1R245 R256 I263 F264 M265S212-R245 WeakPolarHBondContact CA-O 3.48Å; S212-R245 WeakPolarHBondContact CB-O 3.33Å; S212-R245 PolarHBondContact OG-O 3.11Å; S212-R256 PolarHBondContact OG-NH2 3.15Å; S212-I263 PolarHBondContact N-O 3.1Å; S212-F264 WeakPolarHBondContact O-CA 3.36Å; S212-M265 PolarHBondContact O-N 2.84Å
213L98.4Very high98Very high8 Ų869.8 Ų69.84%0.04233%0.333CS..  trans-158.7152-179.2163.1149.6000109.6E215 F221 I225 L229 Y246 M265 P267L213-E215 HydrophobicContact CD2-CB 4.32Å; L213-E215 HydrophobicContact CD2-CG 3.63Å; L213-E215 PolarHBondContact O-N 2.82Å; L213-F221 HydrophobicContact CD1-CE1 4.3Å; L213-F221 HydrophobicContact CD1-CE2 4.02Å; L213-F221 HydrophobicContact CD1-CZ 3.7Å; L213-F221 HydrophobicContact CD2-CE2 3.6Å; L213-F221 HydrophobicContact CD2-CZ 3.62Å; L213-F221 HydrophobicContact CG-CE2 4.29Å; L213-F221 HydrophobicContact CG-CZ 3.9Å; L213-I225 HydrophobicContact CD1-CG2 4.21Å; L213-L229 HydrophobicContact CD2-CD1 4.05Å; L213-L229 HydrophobicContact CD2-CD2 4.49Å; L213-Y246 VanDerWaalsContact C-CD2 3.44Å; L213-M265 HydrophobicContact CB-CB 4.2Å; L213-M265 HydrophobicContact CB-CE 3.93Å; L213-M265 HydrophobicContact CD1-CB 3.94Å; L213-M265 HydrophobicContact CD1-CE 3.93Å; L213-P267 HydrophobicContact CD1-CG 4.04Å
214N98.1Very high97.9Very high52 Ų5262 Ų6228%0.27830%0.304SS..  trans-78.796.6170.8-171.9-15.6000111.3G216 Y217 F221 Y246N214-G216 PolarHBondContact O-N 3.31Å; N214-G216 WeakPolarHBondContact OD1-CA 3.47Å; N214-G216 PolarHBondContact OD1-N 2.74Å; N214-Y217 HydrophobicContact CB-CD2 3.87Å; N214-Y217 HydrophobicContact CB-CE2 4.02Å; N214-Y217 WeakPolarHBondContact ND2-CE2 3.35Å; N214-Y217 PolarHBondContact O-N 3.48Å; N214-F221 WeakPolarHBondContact O-CZ 3.46Å; N214-Y246 HydrophobicContact CB-CD1 4.17Å; N214-Y246 HydrophobicContact CB-CE1 3.55Å; N214-Y246 HydrophobicContact CB-CE2 4.29Å
215E98.3Very high97.8Very high53 Ų5361.8 Ų61.825%0.24830%0.303CS..G310 helixtrans-68.1-10.5179.1-67.3-164.1-138.500114.3Y211 L213 Y217 E218 K233Y211-E215 HydrophobicContact CE2-CG 4.49Å; Y211-E215 WeakPolarHBondContact CE2-OE1 3.42Å; Y211-E215 VanDerWaalsContact CZ-OE1 3.26Å; Y211-E215 PolarHBondContact OH-OE1 2.98Å; L213-E215 HydrophobicContact CD2-CB 4.32Å; L213-E215 HydrophobicContact CD2-CG 3.63Å; L213-E215 PolarHBondContact O-N 2.82Å; E215-Y217 PolarHBondContact O-N 3.33Å; E215-E218 VanDerWaalsContact O-CB 3.29Å; E215-E218 WeakPolarHBondContact O-CB 3.36Å; E215-E218 PolarHBondContact O-N 3.39Å; E215-K233 WeakPolarHBondContact OE1-CE 3.36Å; E215-K233 IonicContact OE1-NZ 2.61Å; E215-K233 WeakPolarHBondContact OE2-CE 3.42Å; E215-K233 IonicContact OE2-NZ 2.83Å; E215-K233 PolarHBondContact OE2-NZ 3.43Å
216G97.7Very high97.8Very high64 Ų6458.6 Ų58.666%0.6629%0.292SS*.G310 helixtrans-60.3-13.4171.300000113.8N214N214-G216 PolarHBondContact O-N 3.31Å; N214-G216 WeakPolarHBondContact OD1-CA 3.47Å; N214-G216 PolarHBondContact OD1-N 2.74Å
217Y97.6Very high97.7Very high65 Ų6556.1 Ų56.126%0.25528%0.28SS..G310 helixtrans-95.57173.5-61.6-60.5000114.5N214 E215 K219 Y220 F221N214-Y217 HydrophobicContact CB-CD2 3.87Å; N214-Y217 HydrophobicContact CB-CE2 4.02Å; N214-Y217 WeakPolarHBondContact ND2-CE2 3.35Å; N214-Y217 PolarHBondContact O-N 3.48Å; E215-Y217 PolarHBondContact O-N 3.33Å; Y217-K219 PolarHBondContact O-N 2.76Å; Y217-K219 VanDerWaalsContact O-N 3.11Å; Y217-Y220 HydrophobicContact CD1-CD2 4.27Å; Y217-Y220 WeakPolarHBondContact O-CA 3.39Å; Y217-Y220 PolarHBondContact O-N 2.68Å; Y217-F221 VanDerWaalsContact CB-CZ 3.49Å; Y217-F221 HydrophobicContact CG-CE1 4.46Å; Y217-F221 PolarHBondContact O-N 2.68Å
218E96.7Very high97.7Very high94 Ų9451.1 Ų51.144%0.43926%0.259SS..G310 helixtrans-47.7-43.7-177.2-176.1177.4-157.600113.6E215 Y220 F221 N226E215-E218 VanDerWaalsContact O-CB 3.29Å; E215-E218 WeakPolarHBondContact O-CB 3.36Å; E215-E218 PolarHBondContact O-N 3.39Å; E218-Y220 PolarHBondContact O-N 2.86Å; E218-Y220 VanDerWaalsContact O-N 3.14Å; E218-F221 VanDerWaalsContact CA-CD2 3.42Å; E218-F221 HydrophobicContact CB-CD2 4.42Å; E218-F221 PolarHBondContact O-N 2.76Å; E218-N226 PolarHBondContact O-ND2 3.09Å; E218-N226 PolarHBondContact O-OD1 3.03Å
219K97.1Very high97.7Very high172 Ų17250.9 Ų50.975%0.74826%0.255SS*.G310 helixtrans-56.9-28.8177.2178.7175.31771770113.8Y217Y217-K219 PolarHBondContact O-N 2.76Å; Y217-K219 VanDerWaalsContact O-N 3.11Å
220Y97.3Very high97.7Very high54 Ų5449 Ų4921%0.21225%0.247CC..G310 helixtrans-106.4-1.7-172.7-53.6-65.4000113.1Y217 E218 N269 E270 K271Y217-Y220 HydrophobicContact CD1-CD2 4.27Å; Y217-Y220 WeakPolarHBondContact O-CA 3.39Å; Y217-Y220 PolarHBondContact O-N 2.68Å; E218-Y220 PolarHBondContact O-N 2.86Å; E218-Y220 VanDerWaalsContact O-N 3.14Å; Y220-N269 WeakPolarHBondContact O-CA 3.26Å; Y220-N269 WeakPolarHBondContact O-CB 3.48Å; Y220-E270 HydrophobicContact CD1-CB 4.31Å; Y220-E270 PolarHBondContact O-N 3.07Å; Y220-E270 VanDerWaalsContact O-N 3.07Å; Y220-K271 HydrophobicContact CD1-CG 4.38Å; Y220-K271 HydrophobicContact CD2-CD 4.29Å; Y220-K271 HydrophobicContact CE1-CD 4.47Å; Y220-K271 HydrophobicContact CE1-CG 4.49Å; Y220-K271 HydrophobicContact CE2-CD 4.08Å; Y220-K271 HydrophobicContact CG-CG 4.45Å; Y220-K271 VanDerWaalsContact OH-CE 3.31Å; Y220-K271 WeakPolarHBondContact OH-CE 3.43Å; Y220-K271 PolarHBondContact OH-NZ 3.2Å
221F97.3Very high97.6Very high12 Ų1250 Ų505%0.05325%0.251CS..BIsolated β-bridgetrans-74.2148.1-179.5-70.5-30.4000111.9L213 N214 Y217 E218 I225 N226 L229 P267 N269L213-F221 HydrophobicContact CD1-CE1 4.3Å; L213-F221 HydrophobicContact CD1-CE2 4.02Å; L213-F221 HydrophobicContact CD1-CZ 3.7Å; L213-F221 HydrophobicContact CD2-CE2 3.6Å; L213-F221 HydrophobicContact CD2-CZ 3.62Å; L213-F221 HydrophobicContact CG-CE2 4.29Å; L213-F221 HydrophobicContact CG-CZ 3.9Å; N214-F221 WeakPolarHBondContact O-CZ 3.46Å; Y217-F221 VanDerWaalsContact CB-CZ 3.49Å; Y217-F221 HydrophobicContact CG-CE1 4.46Å; Y217-F221 PolarHBondContact O-N 2.68Å; E218-F221 VanDerWaalsContact CA-CD2 3.42Å; E218-F221 HydrophobicContact CB-CD2 4.42Å; E218-F221 PolarHBondContact O-N 2.76Å; F221-I225 HydrophobicContact CB-CB 3.99Å; F221-I225 HydrophobicContact CB-CG1 4.39Å; F221-I225 HydrophobicContact CB-CG2 4.25Å; F221-I225 HydrophobicContact CD2-CG2 3.92Å; F221-I225 HydrophobicContact CE2-CG2 4.46Å; F221-I225 HydrophobicContact CG-CB 4.29Å; F221-I225 HydrophobicContact CG-CG2 4.01Å; F221-N226 WeakPolarHBondContact CB-OD1 3.45Å; F221-L229 HydrophobicContact CD2-CD1 4.13Å; F221-L229 HydrophobicContact CE2-CD1 4.03Å; F221-P267 HydrophobicContact CD1-CG 4.26Å; F221-P267 HydrophobicContact CE1-CG 4.1Å; F221-N269 HydrophobicContact CD1-CB 4.15Å
222H96.6Very high97.6Very high94 Ų9449.7 Ų49.744%0.43525%0.25SS..  trans-59.6143.5167.8-172.1-95.5000110.3S224 I225 N226H222-S224 PolarHBondContact ND1-N 2.86Å; H222-S224 PolarHBondContact ND1-OG 3.07Å; H222-S224 PolarHBondContact O-N 2.84Å; H222-I225 HydrophobicContact CB-CG1 4.22Å; H222-I225 WeakPolarHBondContact O-CB 3.19Å; H222-I225 PolarHBondContact O-N 3.29Å; H222-N226 PolarHBondContact O-N 2.88Å
223P97.4Very high97.5Very high70 Ų7052.4 Ų52.446%0.45526%0.262SS..Hα-helixtrans-51.8-33.8-178.1-3237.5000115.1I225 N226 E227 F336P223-I225 VanDerWaalsContact C-N 3.29Å; P223-I225 PolarHBondContact O-N 2.95Å; P223-N226 PolarHBondContact O-N 3.2Å; P223-E227 PolarHBondContact O-N 3.22Å; P223-F336 HydrophobicContact CB-CD1 3.85Å; P223-F336 HydrophobicContact CB-CE1 3.53Å; P223-F336 HydrophobicContact CB-CZ 4.14Å
224S97Very high97.5Very high4 Ų458.1 Ų58.13%0.02829%0.288CS..Hα-helixtrans-59.3-37.6175.6600000113.4H222 Y228 F332H222-S224 PolarHBondContact ND1-N 2.86Å; H222-S224 PolarHBondContact ND1-OG 3.07Å; H222-S224 PolarHBondContact O-N 2.84Å; S224-Y228 WeakPolarHBondContact O-CB 3.47Å; S224-Y228 PolarHBondContact O-N 3.13Å; S224-F332 WeakPolarHBondContact CB-O 3.4Å
225I97.4Very high97.3Very high4 Ų457 Ų572%0.02128%0.284CS..Hα-helixtrans-69.9-45.3177.7-45.8-59.8000109.6L213 F221 H222 P223 E227 Y228 L229 P267 Y329L213-I225 HydrophobicContact CD1-CG2 4.21Å; F221-I225 HydrophobicContact CB-CB 3.99Å; F221-I225 HydrophobicContact CB-CG1 4.39Å; F221-I225 HydrophobicContact CB-CG2 4.25Å; F221-I225 HydrophobicContact CD2-CG2 3.92Å; F221-I225 HydrophobicContact CE2-CG2 4.46Å; F221-I225 HydrophobicContact CG-CB 4.29Å; F221-I225 HydrophobicContact CG-CG2 4.01Å; H222-I225 HydrophobicContact CB-CG1 4.22Å; H222-I225 WeakPolarHBondContact O-CB 3.19Å; H222-I225 PolarHBondContact O-N 3.29Å; P223-I225 VanDerWaalsContact C-N 3.29Å; P223-I225 PolarHBondContact O-N 2.95Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.26Å; I225-Y228 PolarHBondContact O-N 3.11Å; I225-L229 HydrophobicContact CG2-CD1 4.14Å; I225-L229 HydrophobicContact CG2-CG 4.4Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 WeakPolarHBondContact O-CG 3.19Å; I225-L229 PolarHBondContact O-N 3.43Å; I225-P267 HydrophobicContact CD1-CB 3.87Å; I225-P267 HydrophobicContact CD1-CG 4.21Å; I225-P267 HydrophobicContact CG1-CB 4.28Å; I225-P267 HydrophobicContact CG1-CG 4.29Å; I225-P267 HydrophobicContact CG2-CG 4.27Å; I225-Y329 HydrophobicContact CD1-CE2 3.46Å; I225-Y329 VanDerWaalsContact CD1-CE2 3.46Å; I225-Y329 WeakPolarHBondContact CD1-OH 3.41Å
226N97.8Very high97Very high50 Ų5062.9 Ų62.927%0.26731%0.311SS..Hα-helixtrans-63-40179.4-74.1-19.6000111.4E218 F221 H222 P223 L229 K230E218-N226 PolarHBondContact O-ND2 3.09Å; E218-N226 PolarHBondContact O-OD1 3.03Å; F221-N226 WeakPolarHBondContact CB-OD1 3.45Å; H222-N226 PolarHBondContact O-N 2.88Å; P223-N226 PolarHBondContact O-N 3.2Å; N226-L229 PolarHBondContact O-N 2.7Å; N226-K230 WeakPolarHBondContact O-CB 3.21Å; N226-K230 PolarHBondContact O-N 3Å
227E97.8Very high96.6Very high60 Ų6065.6 Ų65.628%0.2831%0.311SS..Hα-helixtrans-66.9-42.6175.2-159.2-174.3140.200111.9P223 I225 L229 K230 H231 F332 K335 F336P223-E227 PolarHBondContact O-N 3.22Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.26Å; E227-L229 PolarHBondContact O-N 2.83Å; E227-K230 PolarHBondContact O-N 3.44Å; E227-H231 WeakPolarHBondContact O-CB 3.38Å; E227-H231 PolarHBondContact O-N 3.45Å; E227-F332 HydrophobicContact CB-CD1 4Å; E227-F332 HydrophobicContact CB-CE1 4.29Å; E227-F332 HydrophobicContact CG-CD1 4.02Å; E227-F332 HydrophobicContact CG-CE1 3.88Å; E227-K335 IonicContact OE1-NZ 3.12Å; E227-K335 PolarHBondContact OE1-NZ 2.83Å; E227-K335 IonicContact OE2-NZ 2.9Å; E227-K335 PolarHBondContact OE2-NZ 2.61Å; E227-F336 HydrophobicContact CB-CE2 4.15Å; E227-F336 HydrophobicContact CB-CZ 4.27Å; E227-F336 WeakPolarHBondContact OE2-CE2 3.24Å; E227-F336 WeakPolarHBondContact OE2-CZ 3.35Å
228Y98Very high96.1Very high0 Ų066 Ų660%033%0.334CS..Hα-helixtrans-59.8-46.1174.1178.5-104000112.1S224 I225 K230 H231 K232 I263 M265 D325 E328 Y329 F332S224-Y228 WeakPolarHBondContact O-CB 3.47Å; S224-Y228 PolarHBondContact O-N 3.13Å; I225-Y228 PolarHBondContact O-N 3.11Å; Y228-K230 PolarHBondContact O-N 2.89Å; Y228-H231 WeakPolarHBondContact O-CB 3.42Å; Y228-H231 PolarHBondContact O-N 3.36Å; Y228-K232 HydrophobicContact CD1-CG 4.35Å; Y228-K232 HydrophobicContact CE1-CG 3.99Å; Y228-K232 HydrophobicContact CE2-CD 4.48Å; Y228-K232 HydrophobicContact CE2-CG 4.39Å; Y228-K232 WeakPolarHBondContact O-CG 3.41Å; Y228-K232 PolarHBondContact O-N 3.39Å; Y228-K232 WeakPolarHBondContact OH-CE 3.46Å; Y228-I263 HydrophobicContact CE1-CD1 4.43Å; Y228-I263 HydrophobicContact CE1-CG2 4.41Å; Y228-I263 WeakPolarHBondContact OH-CD1 3.35Å; Y228-M265 HydrophobicContact CD1-CE 4.13Å; Y228-M265 HydrophobicContact CD1-SD 3.9Å; Y228-M265 HydrophobicContact CE1-CE 3.88Å; Y228-M265 HydrophobicContact CE1-SD 3.61Å; Y228-D325 PolarHBondContact OH-O 3.45Å; Y228-E328 HydrophobicContact CE2-CB 4.46Å; Y228-E328 HydrophobicContact CE2-CG 4.13Å; Y228-Y329 HydrophobicContact CD1-CD2 4.24Å; Y228-Y329 HydrophobicContact CE1-CD2 4.48Å; Y228-Y329 HydrophobicContact CG-CD2 4.31Å; Y228-F332 AromaticContact CD2-CD2 3.61Å; Y228-F332 HydrophobicContact CD2-CD2 3.61Å; Y228-F332 AromaticContact CD2-CE2 3.86Å; Y228-F332 HydrophobicContact CD2-CE2 3.86Å; Y228-F332 HydrophobicContact CD2-CG 4.27Å; Y228-F332 HydrophobicContact CG-CD2 4.41Å
229L97.8Very high95.7Very high1 Ų163.3 Ų63.31%0.00533%0.332CS..Hα-helixtrans-63.4-41.2177.5-70.7175.3000111.8Y211 L213 F221 I225 N226 E227 H231 K232 K233 M265Y211-L229 HydrophobicContact CD2-CD2 3.82Å; Y211-L229 HydrophobicContact CE2-CD2 3.82Å; L213-L229 HydrophobicContact CD2-CD1 4.05Å; L213-L229 HydrophobicContact CD2-CD2 4.49Å; F221-L229 HydrophobicContact CD2-CD1 4.13Å; F221-L229 HydrophobicContact CE2-CD1 4.03Å; I225-L229 HydrophobicContact CG2-CD1 4.14Å; I225-L229 HydrophobicContact CG2-CG 4.4Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 WeakPolarHBondContact O-CG 3.19Å; I225-L229 PolarHBondContact O-N 3.43Å; N226-L229 PolarHBondContact O-N 2.7Å; E227-L229 PolarHBondContact O-N 2.83Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.3Å; L229-K232 PolarHBondContact O-N 3.25Å; L229-K233 WeakPolarHBondContact O-CG 3.47Å; L229-K233 PolarHBondContact O-N 3.23Å; L229-M265 HydrophobicContact CD2-CE 3.84Å
230K97.6Very high95.7Very high129 Ų12960.1 Ų60.156%0.56133%0.331SS*.Hα-helixtrans-58.7-45.8173.4-176.2-175.5174.7-169.30110.7N226 E227 Y228 K232 K233 H234N226-K230 WeakPolarHBondContact O-CB 3.21Å; N226-K230 PolarHBondContact O-N 3Å; E227-K230 PolarHBondContact O-N 3.44Å; Y228-K230 PolarHBondContact O-N 2.89Å; K230-K232 VanDerWaalsContact C-N 3.32Å; K230-K232 PolarHBondContact O-N 2.78Å; K230-K233 PolarHBondContact O-N 3.27Å; K230-H234 PolarHBondContact O-N 3.08Å
231H96.9Very high95.7Very high53 Ų5361.4 Ų61.425%0.24535%0.346CS..Hα-helixtrans-60.1-40.3176.9-179.474.5000112.2E227 Y228 L229 H234 P235 E328 F332E227-H231 WeakPolarHBondContact O-CB 3.38Å; E227-H231 PolarHBondContact O-N 3.45Å; Y228-H231 WeakPolarHBondContact O-CB 3.42Å; Y228-H231 PolarHBondContact O-N 3.36Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.3Å; H231-H234 CarbonylContact O-C 3.49Å; H231-P235 WeakPolarHBondContact O-CA 3.41Å; H231-E328 IonicContact CD2-OE1 2.89Å; H231-E328 PolarHBondContact CD2-OE1 2.89Å; H231-E328 IonicContact NE2-OE1 3.95Å; H231-E328 PolarHBondContact NE2-OE1 2.9Å; H231-F332 HydrophobicContact CB-CE1 4.24Å; H231-F332 HydrophobicContact CB-CZ 3.73Å; H231-F332 AromaticContact CG-CZ 3.77Å
232K97.8Very high95.8Very high5 Ų562.3 Ų62.32%0.02235%0.35CS..Hα-helixtrans-69.2-30.7176.9-66.5-54.9179.1-175.60114.5Y211 Y228 L229 K230 P241 Y242 D325 E328Y211-K232 HydrophobicContact CD1-CB 4.09Å; Y211-K232 HydrophobicContact CE1-CB 4.37Å; Y228-K232 HydrophobicContact CD1-CG 4.35Å; Y228-K232 HydrophobicContact CE1-CG 3.99Å; Y228-K232 HydrophobicContact CE2-CD 4.48Å; Y228-K232 HydrophobicContact CE2-CG 4.39Å; Y228-K232 WeakPolarHBondContact O-CG 3.41Å; Y228-K232 PolarHBondContact O-N 3.39Å; Y228-K232 WeakPolarHBondContact OH-CE 3.46Å; L229-K232 PolarHBondContact O-N 3.25Å; K230-K232 VanDerWaalsContact C-N 3.32Å; K230-K232 PolarHBondContact O-N 2.78Å; K232-P241 WeakPolarHBondContact O-CA 3.43Å; K232-Y242 HydrophobicContact CD-CD1 3.97Å; K232-Y242 HydrophobicContact CD-CD2 4.06Å; K232-Y242 HydrophobicContact CD-CE1 4.09Å; K232-Y242 HydrophobicContact CD-CE2 4.18Å; K232-Y242 HydrophobicContact CD-CG 3.97Å; K232-Y242 PolarHBondContact NZ-OH 3.17Å; K232-Y242 PolarHBondContact O-N 2.87Å; K232-D325 IonicContact NZ-OD1 3.18Å; K232-E328 IonicContact NZ-OE1 3.61Å; K232-E328 PolarHBondContact NZ-OE1 2.76Å; K232-E328 IonicContact NZ-OE2 2.76Å; K232-E328 PolarHBondContact NZ-OE2 3.42Å
233K98.1Very high95.9Very high57 Ų5759.2 Ų59.225%0.24834%0.343CS..Hα-helixtrans-84.5-33.5177.9-68.1173.3-176.6176.40113Y211 E215 L229 K230 P241Y211-K233 WeakPolarHBondContact OH-CE 3.21Å; E215-K233 WeakPolarHBondContact OE1-CE 3.36Å; E215-K233 IonicContact OE1-NZ 2.61Å; E215-K233 WeakPolarHBondContact OE2-CE 3.42Å; E215-K233 IonicContact OE2-NZ 2.83Å; E215-K233 PolarHBondContact OE2-NZ 3.43Å; L229-K233 WeakPolarHBondContact O-CG 3.47Å; L229-K233 PolarHBondContact O-N 3.23Å; K230-K233 PolarHBondContact O-N 3.27Å; K233-P241 WeakPolarHBondContact O-CB 2.85Å; K233-P241 WeakPolarHBondContact O-CG 3.33Å
234H97.3Very high95.9Very high127 Ų12758.2 Ų58.259%0.58834%0.34SS*.SBendtrans-132.167.5-174-54.9-68.3000110.4K230 H231 E236K230-H234 PolarHBondContact O-N 3.08Å; H231-H234 CarbonylContact O-C 3.49Å; H234-E236 PolarHBondContact O-N 3.32Å
235P94.9Very high96Very high30 Ų3064.8 Ų64.820%0.19537%0.365CS..  trans-61.8127.7178.226.1-35.1000111H231 D237 G239 P241H231-P235 WeakPolarHBondContact O-CA 3.41Å; P235-D237 WeakPolarHBondContact CB-OD1 3.49Å; P235-G239 WeakPolarHBondContact CG-O 3.39Å; P235-P241 HydrophobicContact CG-CG 4.39Å
236E91.4Very high96Very high175 Ų17568.4 Ų68.482%0.81838%0.379SS*.SBendtrans-89.5-11.4-178.3-63.2-179.2174.700112.6H234 G238H234-E236 PolarHBondContact O-N 3.32Å; E236-G238 PolarHBondContact O-N 3.34Å
237D88.8Confident96Very high122 Ų12268.8 Ų68.865%0.65238%0.383SS*.SBendtrans-83.85.8179.967.7-10.8000113.6P235 G239P235-D237 WeakPolarHBondContact CB-OD1 3.49Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact OD1-N 2.9Å
238G86.8Confident95.9Very high73 Ų7367 Ų6775%0.75338%0.38SS*.SBendtrans79.35.2-175.100000114.3E236E236-G238 PolarHBondContact O-N 3.34Å
239G89.8Confident95.8Very high37 Ų3767 Ų6738%0.38138%0.381SS..PPolyproline II helixtrans-65.1166.2172.500000113.4P235 D237P235-G239 WeakPolarHBondContact CG-O 3.39Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact OD1-N 2.9Å
240S95.7Very high95.8Very high105 Ų10567.3 Ų67.373%0.73438%0.382SS*.PPolyproline II helixtrans-82.4142.2170.7-59.40000110.8
241P97.8Very high95.9Very high82 Ų8261.2 Ų61.253%0.53236%0.355SS..PPolyproline II helixtrans-54.6148.8172.1-25.133.6000112.3K232 K233 P235K232-P241 WeakPolarHBondContact O-CA 3.43Å; K233-P241 WeakPolarHBondContact O-CB 2.85Å; K233-P241 WeakPolarHBondContact O-CG 3.33Å; P235-P241 HydrophobicContact CG-CG 4.39Å
242Y98.5Very high95.9Very high31 Ų3159.1 Ų59.112%0.12235%0.347CS..PPolyproline II helixtrans-74.1145.9173.6-84.243.7000110.5K207 G208 K209 I210 K232 D325K207-Y242 WeakPolarHBondContact CE-OH 3.31Å; G208-Y242 PolarHBondContact O-OH 3.3Å; K209-Y242 WeakPolarHBondContact O-CA 3.49Å; I210-Y242 VanDerWaalsContact N-CD2 3.33Å; K232-Y242 HydrophobicContact CD-CD1 3.97Å; K232-Y242 HydrophobicContact CD-CD2 4.06Å; K232-Y242 HydrophobicContact CD-CE1 4.09Å; K232-Y242 HydrophobicContact CD-CE2 4.18Å; K232-Y242 HydrophobicContact CD-CG 3.97Å; K232-Y242 PolarHBondContact NZ-OH 3.17Å; K232-Y242 PolarHBondContact O-N 2.87Å; Y242-D325 VanDerWaalsContact CE2-OD1 3.26Å; Y242-D325 WeakPolarHBondContact CE2-OD1 3.32Å; Y242-D325 VanDerWaalsContact CZ-OD1 3.29Å; Y242-D325 PolarHBondContact OH-OD1 3.27Å
243G98.5Very high95.9Very high29 Ų2958.9 Ų58.930%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-73.7130.6169.800000111.1K209 I210 Y211K209-G243 PolarHBondContact O-N 3.2Å; I210-G243 VanDerWaalsContact CA-O 3.26Å; I210-G243 WeakPolarHBondContact CA-O 3.4Å; Y211-G243 PolarHBondContact N-O 3.03Å; Y211-G243 VanDerWaalsContact N-O 3.17Å
244A98.6Very high96Very high48 Ų4856.2 Ų56.240%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-79.5132.2169.500000110.3Y211Y211-A244 HydrophobicContact CE1-CB 4.09Å; Y211-A244 HydrophobicContact CE2-CB 4.03Å
245R98.7Very high96Very high143 Ų14351.8 Ų51.854%0.5431%0.314SS..  trans-140.7127.2169-68.1-66.2-178.2-83.71.3108.7I210 Y211 S212 R256I210-R245 HydrophobicContact CG2-CB 3.88Å; I210-R245 HydrophobicContact CG2-CG 3.96Å; Y211-R245 PolarHBondContact O-N 3.06Å; Y211-R245 VanDerWaalsContact O-N 3.1Å; S212-R245 WeakPolarHBondContact CA-O 3.48Å; S212-R245 WeakPolarHBondContact CB-O 3.33Å; S212-R245 PolarHBondContact OG-O 3.11Å; R245-R256 VanDerWaalsContact CB-NH2 3.34Å; R245-R256 PolarHBondContact O-NH2 2.91Å
246Y98.3Very high96.2Very high79 Ų7951.9 Ų51.931%0.3131%0.31SS..  trans-146.6105.6174.9-172.6-108.1000108.5L213 N214 F264L213-Y246 VanDerWaalsContact C-CD2 3.44Å; N214-Y246 HydrophobicContact CB-CD1 4.17Å; N214-Y246 HydrophobicContact CB-CE1 3.55Å; N214-Y246 HydrophobicContact CB-CE2 4.29Å; Y246-F264 HydrophobicContact CE2-CE2 4.3Å
247V97.8Very high96.6Very high58 Ų5843.7 Ų43.735%0.35227%0.272SS..  trans-77.4-32.9178.8176.30000109.8D253V247-D253 WeakPolarHBondContact CB-OD1 3.31Å; V247-D253 WeakPolarHBondContact CG2-OD1 3.28Å; V247-D253 PolarHBondContact N-OD1 3.13Å; V247-D253 PolarHBondContact N-OD2 3.42Å; V247-D253 VanDerWaalsContact N-OD2 3.13Å
248G95.6Very high97Very high23 Ų2338 Ų3824%0.23724%0.242CC..SBendtrans88.412.9-177.300000113.6N127 D253N127-G248 PolarHBondContact ND2-O 2.9Å; G248-D253 PolarHBondContact N-OD2 2.82Å; G248-D253 VanDerWaalsContact N-OD2 3.11Å
249S96.3Very high97.6Very high1 Ų136.4 Ų36.41%0.00722%0.222CC..  trans-125126.8166.8154.20000107.2D123 S133 V251 S252 D253D123-S249 PolarHBondContact OD2-OG 2.66Å; S133-S249 WeakPolarHBondContact O-CB 3.37Å; S133-S249 PolarHBondContact O-OG 3.16Å; S249-V251 PolarHBondContact O-N 2.87Å; S249-V251 WeakPolarHBondContact OG-CG1 3.39Å; S249-S252 PolarHBondContact O-N 3.01Å; S249-S252 PolarHBondContact OG-OG 2.76Å; S249-D253 PolarHBondContact O-N 3.01Å; S249-D253 VanDerWaalsContact O-N 3.07Å
250M97.7Very high98Very high7 Ų741.8 Ų41.83%0.03423%0.232CC..Hα-helixtrans-60-47.1-173.3179.2178.6176.600110.9D123 I137 S252 D253 V254 F264 L277 E282 I286 F318D123-M250 WeakPolarHBondContact OD1-CB 3.29Å; D123-M250 PolarHBondContact OD1-N 2.66Å; D123-M250 PolarHBondContact OD2-N 3.4Å; I137-M250 HydrophobicContact CD1-SD 4.39Å; M250-S252 VanDerWaalsContact C-N 3.26Å; M250-S252 PolarHBondContact O-N 2.73Å; M250-D253 PolarHBondContact O-N 3.02Å; M250-V254 HydrophobicContact CG-CG2 3.96Å; M250-V254 VanDerWaalsContact O-CB 3.24Å; M250-V254 WeakPolarHBondContact O-CB 3.33Å; M250-V254 WeakPolarHBondContact O-CG2 3.41Å; M250-V254 PolarHBondContact O-N 2.99Å; M250-F264 HydrophobicContact CG-CE1 4.3Å; M250-F264 HydrophobicContact CG-CZ 4.28Å; M250-L277 HydrophobicContact CE-CD1 4.16Å; M250-L277 HydrophobicContact SD-CD1 3.78Å; M250-L277 HydrophobicContact SD-CD2 4.23Å; M250-L277 HydrophobicContact SD-CG 4.5Å; M250-E282 HydrophobicContact CE-CB 4.22Å; M250-E282 WeakPolarHBondContact CE-O 3.44Å; M250-E282 HydrophobicContact SD-CB 3.77Å; M250-E282 HydrophobicContact SD-CG 4.29Å; M250-I286 HydrophobicContact CE-CB 3.74Å; M250-I286 HydrophobicContact CE-CG1 3.47Å; M250-I286 VanDerWaalsContact CE-CG1 3.47Å; M250-I286 HydrophobicContact CE-CG2 4.08Å; M250-F318 HydrophobicContact CE-CD1 3.84Å; M250-F318 HydrophobicContact CE-CE1 3.4Å; M250-F318 VanDerWaalsContact CE-CE1 3.4Å; M250-F318 HydrophobicContact CE-CZ 4.07Å
251V97.8Very high98.1Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-60.2-37.5-178.468.50000112D123 Y166 L168 S249 H255D123-V251 HydrophobicContact CB-CG1 4.39Å; D123-V251 WeakPolarHBondContact OD2-CB 3.45Å; D123-V251 WeakPolarHBondContact OD2-CG1 3.17Å; D123-V251 PolarHBondContact OD2-N 3.34Å; Y166-V251 HydrophobicContact CD2-CG2 3.28Å; Y166-V251 HydrophobicContact CE2-CG2 3.99Å; Y166-V251 HydrophobicContact CG-CG2 3.66Å; L168-V251 HydrophobicContact CB-CG2 4.44Å; L168-V251 HydrophobicContact CD1-CG1 4.06Å; L168-V251 HydrophobicContact CD1-CG2 4.46Å; S249-V251 PolarHBondContact O-N 2.87Å; S249-V251 WeakPolarHBondContact OG-CG1 3.39Å; V251-H255 WeakPolarHBondContact O-CB 3.48Å; V251-H255 PolarHBondContact O-N 2.99Å
252S98Very high98.2Very high10 Ų1033 Ų337%0.0717%0.172CC..Hα-helixtrans-70.9-44.5-179.7-59.50000111.7S133 S249 M250 R256S133-S252 WeakPolarHBondContact CB-OG 3.26Å; S133-S252 PolarHBondContact O-OG 3.22Å; S249-S252 PolarHBondContact O-N 3.01Å; S249-S252 PolarHBondContact OG-OG 2.76Å; M250-S252 VanDerWaalsContact C-N 3.26Å; M250-S252 PolarHBondContact O-N 2.73Å; S252-R256 PolarHBondContact O-N 2.96Å
253D98.7Very high98.2Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-70.6-39178.9-72.5-41.9000112.2V247 G248 S249 M250 R256 T257 F264V247-D253 WeakPolarHBondContact CB-OD1 3.31Å; V247-D253 WeakPolarHBondContact CG2-OD1 3.28Å; V247-D253 PolarHBondContact N-OD1 3.13Å; V247-D253 PolarHBondContact N-OD2 3.42Å; V247-D253 VanDerWaalsContact N-OD2 3.13Å; G248-D253 PolarHBondContact N-OD2 2.82Å; G248-D253 VanDerWaalsContact N-OD2 3.11Å; S249-D253 PolarHBondContact O-N 3.01Å; S249-D253 VanDerWaalsContact O-N 3.07Å; M250-D253 PolarHBondContact O-N 3.02Å; D253-R256 IonicContact OD1-CZ 3.4Å; D253-R256 IonicContact OD1-NH1 3.21Å; D253-R256 PolarHBondContact OD1-NH1 3.1Å; D253-R256 IonicContact OD1-NH2 2.72Å; D253-R256 PolarHBondContact OD1-NH2 3.17Å; D253-T257 WeakPolarHBondContact O-CB 3.2Å; D253-T257 PolarHBondContact O-N 3Å; D253-T257 PolarHBondContact O-OG1 2.82Å; D253-F264 HydrophobicContact CB-CD2 3.6Å; D253-F264 HydrophobicContact CB-CE2 3.73Å
254V98.6Very high98.2Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-67.8-45175.3167.40000111.2M250 R256 T257 I258 F264 I286 V320M250-V254 HydrophobicContact CG-CG2 3.96Å; M250-V254 VanDerWaalsContact O-CB 3.24Å; M250-V254 WeakPolarHBondContact O-CB 3.33Å; M250-V254 WeakPolarHBondContact O-CG2 3.41Å; M250-V254 PolarHBondContact O-N 2.99Å; V254-R256 VanDerWaalsContact C-N 3.32Å; V254-R256 PolarHBondContact O-N 3.04Å; V254-T257 CarbonylContact O-C 3.55Å; V254-T257 WeakPolarHBondContact O-CA 3.5Å; V254-T257 WeakPolarHBondContact O-CB 3.24Å; V254-T257 PolarHBondContact O-N 2.85Å; V254-I258 HydrophobicContact CG1-CD1 3.96Å; V254-I258 HydrophobicContact CG1-CG1 4.43Å; V254-I258 WeakPolarHBondContact O-CG1 3.46Å; V254-I258 PolarHBondContact O-N 2.93Å; V254-F264 HydrophobicContact CG2-CD1 4.26Å; V254-F264 HydrophobicContact CG2-CG 4.4Å; V254-I286 HydrophobicContact CB-CG2 4.31Å; V254-I286 HydrophobicContact CG1-CD1 4.08Å; V254-I286 HydrophobicContact CG1-CG1 4.42Å; V254-I286 HydrophobicContact CG1-CG2 3.53Å; V254-I286 HydrophobicContact CG2-CG2 3.81Å; V254-V320 HydrophobicContact CG2-CG1 4.42Å
255H98.8Very high98.2Very high34 Ų3428 Ų2816%0.15713%0.134CC..Hα-helixtrans-58.4-46.1178.6-17971.3000111.2Y166 L168 F185 V251 T257 I258 A259Y166-H255 HydrophobicContact CE2-CB 4.06Å; Y166-H255 AromaticContact CE2-ND1 3.8Å; Y166-H255 AromaticContact CZ-ND1 3.79Å; Y166-H255 PolarHBondContact OH-ND1 3.46Å; L168-H255 HydrophobicContact CD2-CB 4.05Å; F185-H255 AromaticContact CE2-CE1 3.9Å; F185-H255 AromaticContact CZ-CE1 3.93Å; V251-H255 WeakPolarHBondContact O-CB 3.48Å; V251-H255 PolarHBondContact O-N 2.99Å; H255-T257 VanDerWaalsContact C-N 3.31Å; H255-T257 PolarHBondContact O-N 3.42Å; H255-I258 PolarHBondContact O-N 3.13Å; H255-A259 WeakPolarHBondContact O-CB 3.37Å; H255-A259 PolarHBondContact O-N 2.85Å
256R98.8Very high98.2Very high33 Ų3322.3 Ų22.313%0.12511%0.112CC..Hα-helixtrans-59.9-40.9173.2-176.3-177.664.6-103.82.4112.1S212 R245 S252 D253 V254 A259 Y260S212-R256 PolarHBondContact OG-NH2 3.15Å; R245-R256 VanDerWaalsContact CB-NH2 3.34Å; R245-R256 PolarHBondContact O-NH2 2.91Å; S252-R256 PolarHBondContact O-N 2.96Å; D253-R256 IonicContact OD1-CZ 3.4Å; D253-R256 IonicContact OD1-NH1 3.21Å; D253-R256 PolarHBondContact OD1-NH1 3.1Å; D253-R256 IonicContact OD1-NH2 2.72Å; D253-R256 PolarHBondContact OD1-NH2 3.17Å; V254-R256 VanDerWaalsContact C-N 3.32Å; V254-R256 PolarHBondContact O-N 3.04Å; R256-A259 PolarHBondContact O-N 2.88Å; R256-Y260 HydrophobicContact CG-CD2 3.68Å; R256-Y260 HydrophobicContact CG-CE2 4.23Å; R256-Y260 HydrophobicContact CG-CG 4.46Å; R256-Y260 WeakPolarHBondContact O-CB 3.45Å; R256-Y260 PolarHBondContact O-N 2.82Å
257T98.9Very high98.1Very high2 Ų218.8 Ų18.81%0.01210%0.1CC..Hα-helixtrans-61.7-43.1177.9-58.40000111.3I204 D253 V254 H255 G261 G262 M290I204-T257 HydrophobicContact CD1-CG2 4.24Å; I204-T257 VanDerWaalsContact CD1-O 3.31Å; I204-T257 WeakPolarHBondContact CD1-O 3.45Å; D253-T257 WeakPolarHBondContact O-CB 3.2Å; D253-T257 PolarHBondContact O-N 3Å; D253-T257 PolarHBondContact O-OG1 2.82Å; V254-T257 CarbonylContact O-C 3.55Å; V254-T257 WeakPolarHBondContact O-CA 3.5Å; V254-T257 WeakPolarHBondContact O-CB 3.24Å; V254-T257 PolarHBondContact O-N 2.85Å; H255-T257 VanDerWaalsContact C-N 3.31Å; H255-T257 PolarHBondContact O-N 3.42Å; T257-G261 CarbonylContact O-C 3.54Å; T257-G261 WeakPolarHBondContact O-CA 3.35Å; T257-G261 PolarHBondContact O-N 3.41Å; T257-G262 WeakPolarHBondContact CG2-O 3.48Å; T257-M290 HydrophobicContact CG2-CE 4.16Å
258I98.6Very high98.1Very high2 Ų217.6 Ų17.61%0.0110%0.095CC..Hα-helixtrans-64.4-49.6175.5-63.7168.1000110.6Y166 L183 F185 V202 V254 H255 M290 A293Y166-I258 HydrophobicContact CE1-CD1 4.08Å; L183-I258 HydrophobicContact CD2-CD1 4.12Å; L183-I258 HydrophobicContact CD2-CG2 3.83Å; F185-I258 HydrophobicContact CE1-CG2 4.48Å; F185-I258 HydrophobicContact CZ-CB 4.41Å; F185-I258 HydrophobicContact CZ-CG2 3.7Å; V202-I258 HydrophobicContact CG1-CG2 3.74Å; V254-I258 HydrophobicContact CG1-CD1 3.96Å; V254-I258 HydrophobicContact CG1-CG1 4.43Å; V254-I258 WeakPolarHBondContact O-CG1 3.46Å; V254-I258 PolarHBondContact O-N 2.93Å; H255-I258 PolarHBondContact O-N 3.13Å; I258-M290 HydrophobicContact CD1-CE 4.29Å; I258-M290 HydrophobicContact CG1-CE 3.53Å; I258-M290 HydrophobicContact CG1-SD 4.05Å; I258-A293 HydrophobicContact CG2-CB 4.42Å
259A97.8Very high98Very high41 Ų4117 Ų1734%0.3399%0.087SC..Hα-helixtrans-68.8-40.1-174.300000113.3H255 R256H255-A259 WeakPolarHBondContact O-CB 3.37Å; H255-A259 PolarHBondContact O-N 2.85Å; R256-A259 PolarHBondContact O-N 2.88Å
260Y98.5Very high98Very high150 Ų15024 Ų2459%0.58812%0.119SC*.Hα-helixtrans-107-13.3-171.6-63.2-18.3000114.5K205 R256K205-Y260 WeakPolarHBondContact CD-O 3.43Å; K205-Y260 WeakPolarHBondContact CE-O 3.45Å; K205-Y260 PolarHBondContact NZ-O 3.17Å; R256-Y260 HydrophobicContact CG-CD2 3.68Å; R256-Y260 HydrophobicContact CG-CE2 4.23Å; R256-Y260 HydrophobicContact CG-CG 4.46Å; R256-Y260 WeakPolarHBondContact O-CB 3.45Å; R256-Y260 PolarHBondContact O-N 2.82Å
261G98.6Very high97.8Very high1 Ų129.7 Ų29.71%0.0114%0.144CC..  trans77.6168.1-167.800000112.3T257 S322T257-G261 CarbonylContact O-C 3.54Å; T257-G261 WeakPolarHBondContact O-CA 3.35Å; T257-G261 PolarHBondContact O-N 3.41Å; G261-S322 WeakPolarHBondContact CA-OG 3.26Å
262G98.8Very high97.6Very high0 Ų031.2 Ų31.20%016%0.155CC..  trans119-157.8-178.800000111I210 T257 G321 S322I210-G262 VanDerWaalsContact O-CA 3.24Å; I210-G262 WeakPolarHBondContact O-CA 3.39Å; T257-G262 WeakPolarHBondContact CG2-O 3.48Å; G262-G321 CarbonylContact O-C 3.56Å; G262-G321 WeakPolarHBondContact O-CA 3.18Å; G262-S322 PolarHBondContact N-OG 2.89Å; G262-S322 WeakPolarHBondContact O-CB 3.49Å; G262-S322 PolarHBondContact O-N 2.86Å
263I98.9Very high97.5Very high1 Ų135.4 Ų35.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-134.8133.8-174.2-165.1172.6000111.8I210 Y211 S212 Y228 M265 V319 D325 V326 Y329I210-I263 PolarHBondContact O-N 2.71Å; Y211-I263 CarbonylContact C-O 3.59Å; Y211-I263 WeakPolarHBondContact CA-O 3.46Å; S212-I263 PolarHBondContact N-O 3.1Å; Y228-I263 HydrophobicContact CE1-CD1 4.43Å; Y228-I263 HydrophobicContact CE1-CG2 4.41Å; Y228-I263 WeakPolarHBondContact OH-CD1 3.35Å; I263-M265 HydrophobicContact CD1-CG 4.03Å; I263-M265 HydrophobicContact CD1-SD 4.12Å; I263-M265 HydrophobicContact CG1-CG 3.88Å; I263-V319 HydrophobicContact CD1-CG1 3.63Å; I263-V319 HydrophobicContact CG1-CG1 3.92Å; I263-D325 HydrophobicContact CB-CB 4.05Å; I263-D325 HydrophobicContact CD1-CB 4.44Å; I263-V326 HydrophobicContact CD1-CG2 4.08Å; I263-V326 HydrophobicContact CG1-CG2 4.16Å; I263-Y329 HydrophobicContact CD1-CG 4.43Å
264F98.9Very high97.3Very high3 Ų342.3 Ų42.31%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-104.3134166.4173.4-97.2000109.4S212 Y246 M250 D253 V254 Y266 L277 F318 V319 V320S212-F264 WeakPolarHBondContact O-CA 3.36Å; Y246-F264 HydrophobicContact CE2-CE2 4.3Å; M250-F264 HydrophobicContact CG-CE1 4.3Å; M250-F264 HydrophobicContact CG-CZ 4.28Å; D253-F264 HydrophobicContact CB-CD2 3.6Å; D253-F264 HydrophobicContact CB-CE2 3.73Å; V254-F264 HydrophobicContact CG2-CD1 4.26Å; V254-F264 HydrophobicContact CG2-CG 4.4Å; F264-Y266 HydrophobicContact CZ-CD2 4.38Å; F264-L277 HydrophobicContact CE1-CD1 4Å; F264-L277 HydrophobicContact CZ-CD1 4.41Å; F264-F318 HydrophobicContact CD1-CD1 4.13Å; F264-F318 HydrophobicContact CD1-CE1 4.4Å; F264-F318 HydrophobicContact CE1-CD1 4.04Å; F264-V319 WeakPolarHBondContact O-CA 3.49Å; F264-V320 HydrophobicContact CB-CG1 3.93Å; F264-V320 HydrophobicContact CD1-CG1 3.94Å; F264-V320 HydrophobicContact CG-CG1 4.4Å; F264-V320 PolarHBondContact N-O 2.82Å; F264-V320 PolarHBondContact O-N 3.11Å
265M98.8Very high97.2Very high1 Ų142.5 Ų42.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-135.8127.6-177.5-52.1178.1-7000111.2S212 L213 Y228 L229 I263 V319 Y329S212-M265 PolarHBondContact O-N 2.84Å; L213-M265 HydrophobicContact CB-CB 4.2Å; L213-M265 HydrophobicContact CB-CE 3.93Å; L213-M265 HydrophobicContact CD1-CB 3.94Å; L213-M265 HydrophobicContact CD1-CE 3.93Å; Y228-M265 HydrophobicContact CD1-CE 4.13Å; Y228-M265 HydrophobicContact CD1-SD 3.9Å; Y228-M265 HydrophobicContact CE1-CE 3.88Å; Y228-M265 HydrophobicContact CE1-SD 3.61Å; L229-M265 HydrophobicContact CD2-CE 3.84Å; I263-M265 HydrophobicContact CD1-CG 4.03Å; I263-M265 HydrophobicContact CD1-SD 4.12Å; I263-M265 HydrophobicContact CG1-CG 3.88Å; M265-V319 HydrophobicContact CB-CG2 4.1Å; M265-V319 HydrophobicContact CG-CG1 3.98Å; M265-V319 HydrophobicContact CG-CG2 4.09Å; M265-Y329 HydrophobicContact SD-CD2 4.11Å; M265-Y329 HydrophobicContact SD-CE2 4.38Å
266Y98.3Very high97Very high22 Ų2244.3 Ų44.39%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-13071.5165.3-147.6-53.3000108.5F264 K276 L277 F318F264-Y266 HydrophobicContact CZ-CD2 4.38Å; Y266-K276 HydrophobicContact CD1-CB 4.03Å; Y266-K276 HydrophobicContact CE1-CB 3.35Å; Y266-K276 HydrophobicContact CE1-CD 4.3Å; Y266-K276 HydrophobicContact CE1-CG 4.42Å; Y266-K276 HydrophobicContact CE2-CB 4.47Å; Y266-K276 HydrophobicContact CE2-CD 4.43Å; Y266-K276 WeakPolarHBondContact OH-CD 3.45Å; Y266-L277 HydrophobicContact CD2-CD1 4.11Å; Y266-L277 HydrophobicContact CD2-CD2 4.01Å; Y266-L277 HydrophobicContact CD2-CG 4.03Å; Y266-L277 HydrophobicContact CE2-CD2 4.35Å; Y266-L277 HydrophobicContact CG-CD1 4.04Å; Y266-L277 HydrophobicContact CG-CD2 4.46Å; Y266-L277 HydrophobicContact CG-CG 3.99Å; Y266-F318 CarbonylContact C-O 3.43Å; Y266-F318 PolarHBondContact N-O 3.17Å; Y266-F318 PolarHBondContact O-N 2.8Å
267P96.8Very high97Very high6 Ų643.2 Ų43.24%0.03922%0.218CC..  trans-71.2169.3-175.432-35.8000111.7L213 F221 I225L213-P267 HydrophobicContact CD1-CG 4.04Å; F221-P267 HydrophobicContact CD1-CG 4.26Å; F221-P267 HydrophobicContact CE1-CG 4.1Å; I225-P267 HydrophobicContact CD1-CB 3.87Å; I225-P267 HydrophobicContact CD1-CG 4.21Å; I225-P267 HydrophobicContact CG1-CB 4.28Å; I225-P267 HydrophobicContact CG1-CG 4.29Å; I225-P267 HydrophobicContact CG2-CG 4.27Å
268A96.4Very high96.9Very high32 Ų3243.4 Ų43.426%0.26422%0.218SC..  trans-59.2150161.900000110.2P273 P317A268-P273 VanDerWaalsContact CB-O 3.26Å; A268-P273 WeakPolarHBondContact CB-O 3.33Å; A268-P317 HydrophobicContact CB-CB 4.4Å; A268-P317 HydrophobicContact CB-CG 3.82Å
269N94.9Very high96.9Very high11 Ų1143.3 Ų43.36%0.05922%0.218CC..BIsolated β-bridgetrans-143171.5168.866.447000109.5Y220 F221 K271 S272 P273Y220-N269 WeakPolarHBondContact O-CA 3.26Å; Y220-N269 WeakPolarHBondContact O-CB 3.48Å; F221-N269 HydrophobicContact CD1-CB 4.15Å; N269-K271 PolarHBondContact O-N 3.27Å; N269-K271 VanDerWaalsContact O-N 3.12Å; N269-K271 WeakPolarHBondContact OD1-CA 3.41Å; N269-K271 WeakPolarHBondContact OD1-CB 3.44Å; N269-K271 PolarHBondContact OD1-N 3.36Å; N269-S272 PolarHBondContact N-O 3.23Å; N269-S272 CarbonylContact O-C 3.02Å; N269-S272 PolarHBondContact O-N 3.35Å; N269-S272 PolarHBondContact OD1-N 3.29Å; N269-P273 WeakPolarHBondContact O-CA 3.16Å; N269-P273 VanDerWaalsContact O-N 3.15Å
270E94.9Very high97Very high147 Ų14741.4 Ų41.469%0.68720%0.202SC*.THydrogen-bonded Turntrans-54.5-33.4-177.9-67.2177.7-175.100113.9Y220Y220-E270 HydrophobicContact CD1-CB 4.31Å; Y220-E270 PolarHBondContact O-N 3.07Å; Y220-E270 VanDerWaalsContact O-N 3.07Å
271K93.7Very high97Very high127 Ų12734.3 Ų34.355%0.55217%0.174SC*.THydrogen-bonded Turntrans-82.8-21178.6-68-175.4172.1174.40113.4Y220 N269Y220-K271 HydrophobicContact CD1-CG 4.38Å; Y220-K271 HydrophobicContact CD2-CD 4.29Å; Y220-K271 HydrophobicContact CE1-CD 4.47Å; Y220-K271 HydrophobicContact CE1-CG 4.49Å; Y220-K271 HydrophobicContact CE2-CD 4.08Å; Y220-K271 HydrophobicContact CG-CG 4.45Å; Y220-K271 VanDerWaalsContact OH-CE 3.31Å; Y220-K271 WeakPolarHBondContact OH-CE 3.43Å; Y220-K271 PolarHBondContact OH-NZ 3.2Å; N269-K271 PolarHBondContact O-N 3.27Å; N269-K271 VanDerWaalsContact O-N 3.12Å; N269-K271 WeakPolarHBondContact OD1-CA 3.41Å; N269-K271 WeakPolarHBondContact OD1-CB 3.44Å; N269-K271 PolarHBondContact OD1-N 3.36Å
272S94.5Very high97Very high32 Ų3234.5 Ų34.522%0.22417%0.174CC..BIsolated β-bridgetrans-141.772.8-175.1-65.20000108.5N269 K274 G275N269-S272 PolarHBondContact N-O 3.23Å; N269-S272 CarbonylContact O-C 3.02Å; N269-S272 PolarHBondContact O-N 3.35Å; N269-S272 PolarHBondContact OD1-N 3.29Å; S272-K274 PolarHBondContact O-N 3.22Å; S272-G275 PolarHBondContact O-N 3.16Å
273P95Very high97Very high99 Ų9934.5 Ų34.564%0.64317%0.174SC*.THydrogen-bonded Turntrans-66.1-22.2-171.924.8-34.8000112.9A268 N269A268-P273 VanDerWaalsContact CB-O 3.26Å; A268-P273 WeakPolarHBondContact CB-O 3.33Å; N269-P273 WeakPolarHBondContact O-CA 3.16Å; N269-P273 VanDerWaalsContact O-N 3.15Å
274K95.5Very high97Very high145 Ų14534.4 Ų34.463%0.6317%0.174SC*.THydrogen-bonded Turntrans-96.914.5173.2-60.6-171177.3-171.30113.1S272 R315 V316 P317S272-K274 PolarHBondContact O-N 3.22Å; K274-R315 HydrophobicContact CB-CB 4.38Å; K274-R315 CarbonylContact O-C 3.13Å; K274-R315 WeakPolarHBondContact O-CB 3.41Å; K274-V316 CarbonylContact O-C 3.11Å; K274-V316 WeakPolarHBondContact O-CA 3.47Å; K274-V316 PolarHBondContact O-N 3.48Å; K274-P317 WeakPolarHBondContact O-CD 3.43Å
275G95.4Very high97Very high3 Ų334.3 Ų34.33%0.03117%0.173CC..  trans72.1-176.4-169.800000112.9S272S272-G275 PolarHBondContact O-N 3.16Å
276K95.6Very high97Very high73 Ų7334.2 Ų34.232%0.31717%0.173SC..SBendtrans-106.9-38.2178.3-167.9-177.3177.9-171.60113.1Y266 R315Y266-K276 HydrophobicContact CD1-CB 4.03Å; Y266-K276 HydrophobicContact CE1-CB 3.35Å; Y266-K276 HydrophobicContact CE1-CD 4.3Å; Y266-K276 HydrophobicContact CE1-CG 4.42Å; Y266-K276 HydrophobicContact CE2-CB 4.47Å; Y266-K276 HydrophobicContact CE2-CD 4.43Å; Y266-K276 WeakPolarHBondContact OH-CD 3.45Å; K276-R315 WeakPolarHBondContact O-CD 3.19Å; K276-R315 WeakPolarHBondContact O-CG 3.45Å; K276-R315 PolarHBondContact O-NE 2.94Å
277L97.4Very high97Very high10 Ų1033.2 Ų33.25%0.05217%0.169CC..SBendtrans-74146.9-174.6-52.2179.1000111.1M250 F264 Y266 E282 C283 R315 V316 F318M250-L277 HydrophobicContact CE-CD1 4.16Å; M250-L277 HydrophobicContact SD-CD1 3.78Å; M250-L277 HydrophobicContact SD-CD2 4.23Å; M250-L277 HydrophobicContact SD-CG 4.5Å; F264-L277 HydrophobicContact CE1-CD1 4Å; F264-L277 HydrophobicContact CZ-CD1 4.41Å; Y266-L277 HydrophobicContact CD2-CD1 4.11Å; Y266-L277 HydrophobicContact CD2-CD2 4.01Å; Y266-L277 HydrophobicContact CD2-CG 4.03Å; Y266-L277 HydrophobicContact CE2-CD2 4.35Å; Y266-L277 HydrophobicContact CG-CD1 4.04Å; Y266-L277 HydrophobicContact CG-CD2 4.46Å; Y266-L277 HydrophobicContact CG-CG 3.99Å; L277-E282 WeakPolarHBondContact CD2-OE1 3.33Å; L277-C283 VanDerWaalsContact CB-SG 3.56Å; L277-R315 CarbonylContact O-C 3.41Å; L277-R315 WeakPolarHBondContact O-CA 3.27Å; L277-V316 PolarHBondContact O-N 3.45Å; L277-F318 HydrophobicContact CD1-CB 3.97Å; L277-F318 HydrophobicContact CD1-CD1 3.94Å; L277-F318 HydrophobicContact CD1-CG 4.28Å
278R98.3Very high97.1Very high6 Ų633.6 Ų33.62%0.02317%0.17CC..BIsolated β-bridgetrans-97141.7-174.5-63.388.1168.4-178.5-6.1111.3T68 D70 E99 Y281 E282 C283 Q314 R315T68-R278 PolarHBondContact OG1-NH2 2.72Å; D70-R278 IonicContact OD2-NH2 2.73Å; D70-R278 PolarHBondContact OD2-NH2 2.99Å; E99-R278 IonicContact OE1-CZ 3.63Å; E99-R278 IonicContact OE1-NE 3.25Å; E99-R278 IonicContact OE1-NH1 2.77Å; E99-R278 PolarHBondContact OE1-NH1 3.26Å; E99-R278 IonicContact OE1-NH2 2.58Å; E99-R278 PolarHBondContact OE1-NH2 2.89Å; R278-Y281 HydrophobicContact CB-CD2 4.14Å; R278-Y281 HydrophobicContact CB-CE1 4.25Å; R278-Y281 HydrophobicContact CB-CE2 3.45Å; R278-Y281 VanDerWaalsContact CB-CE2 3.45Å; R278-Y281 HydrophobicContact CG-CE2 3.84Å; R278-Y281 VanDerWaalsContact CG-OH 3.29Å; R278-Y281 WeakPolarHBondContact CG-OH 3.08Å; R278-E282 WeakPolarHBondContact CA-OE2 3.31Å; R278-E282 WeakPolarHBondContact CB-OE2 3.2Å; R278-E282 WeakPolarHBondContact CD-OE2 3.47Å; R278-E282 PolarHBondContact N-OE2 3.49Å; R278-E282 IonicContact NH1-OE1 3.83Å; R278-E282 IonicContact NH1-OE2 3.01Å; R278-E282 WeakPolarHBondContact O-CB 3.05Å; R278-E282 PolarHBondContact O-N 3.44Å; R278-C283 PolarHBondContact O-N 3.04Å; R278-Q314 CarbonylContact C-O 3.57Å; R278-Q314 VanDerWaalsContact CA-O 3.31Å; R278-Q314 WeakPolarHBondContact CA-O 3.42Å; R278-R315 HydrophobicContact CG-CG 4.12Å
279L98.8Very high97.3Very high0 Ų032 Ų320%016%0.158CC..Iπ-helixtrans-65.9-50.5-168.8-177.459000112.3C283 N284 I304 V307 P309 Q314 V316L279-C283 HydrophobicContact CD1-CB 4.35Å; L279-N284 WeakPolarHBondContact CD1-OD1 3.07Å; L279-N284 WeakPolarHBondContact O-CB 3.49Å; L279-N284 PolarHBondContact O-N 3.01Å; L279-I304 HydrophobicContact CD1-CG2 4.3Å; L279-V307 HydrophobicContact CD1-CB 4.21Å; L279-V307 HydrophobicContact CD1-CG1 4.43Å; L279-V307 HydrophobicContact CD2-CB 4.07Å; L279-V307 HydrophobicContact CD2-CG1 3.62Å; L279-P309 HydrophobicContact CD2-CB 4Å; L279-P309 HydrophobicContact CD2-CG 3.83Å; L279-Q314 PolarHBondContact N-O 2.91Å; L279-V316 HydrophobicContact CB-CG1 4.21Å; L279-V316 HydrophobicContact CB-CG2 4.36Å; L279-V316 HydrophobicContact CD1-CG1 4.14Å; L279-V316 HydrophobicContact CD1-CG2 3.94Å; L279-V316 HydrophobicContact CD2-CG1 4.32Å; L279-V316 HydrophobicContact CG-CG1 4.46Å
280L98.8Very high97.4Very high1 Ų131.5 Ų31.51%0.00516%0.155CC..Iπ-helixtrans-73.7-36.1-166-68-174.5000114.7V97 C118 L155 P309 L312V97-L280 HydrophobicContact CG1-CD1 4.47Å; C118-L280 HydrophobicContact CB-CB 4.15Å; C118-L280 WeakPolarHBondContact CB-O 3.49Å; L155-L280 HydrophobicContact CD2-CD1 4.44Å; L280-P309 HydrophobicContact CD2-CB 3.89Å; L280-P309 HydrophobicContact CD2-CG 3.54Å; L280-L312 HydrophobicContact CD1-CD2 4.34Å; L280-L312 WeakPolarHBondContact CD1-O 3.28Å
281Y98.6Very high97.6Very high0 Ų026.8 Ų26.80%013%0.133CC..Iπ-helixtrans-120.1-7.4-170.342.7-97.9000114.8V97 E99 D120 I137 R278 P285 H313V97-Y281 HydrophobicContact CG1-CD1 4.06Å; V97-Y281 HydrophobicContact CG1-CE1 4.09Å; E99-Y281 HydrophobicContact CB-CD2 4.04Å; E99-Y281 HydrophobicContact CB-CE2 3.58Å; E99-Y281 HydrophobicContact CG-CE2 3.82Å; D120-Y281 HydrophobicContact CB-CD2 4.2Å; I137-Y281 WeakPolarHBondContact CB-O 3.45Å; I137-Y281 WeakPolarHBondContact CG2-O 3.24Å; R278-Y281 HydrophobicContact CB-CD2 4.14Å; R278-Y281 HydrophobicContact CB-CE1 4.25Å; R278-Y281 HydrophobicContact CB-CE2 3.45Å; R278-Y281 VanDerWaalsContact CB-CE2 3.45Å; R278-Y281 HydrophobicContact CG-CE2 3.84Å; R278-Y281 VanDerWaalsContact CG-OH 3.29Å; R278-Y281 WeakPolarHBondContact CG-OH 3.08Å; Y281-P285 WeakPolarHBondContact O-CG 3.22Å; Y281-H313 AromaticContact CE1-ND1 3.94Å; Y281-H313 AromaticContact CZ-ND1 3.88Å; Y281-H313 PolarHBondContact OH-ND1 3.2Å
282E98.8Very high97.9Very high5 Ų522.7 Ų22.72%0.02312%0.115CC..Iπ-helixtrans-115.5-63.5171.4-68166.69700110.5I137 M250 L277 R278 P285 I286I137-E282 HydrophobicContact CD1-CG 4.45Å; M250-E282 HydrophobicContact CE-CB 4.22Å; M250-E282 WeakPolarHBondContact CE-O 3.44Å; M250-E282 HydrophobicContact SD-CB 3.77Å; M250-E282 HydrophobicContact SD-CG 4.29Å; L277-E282 WeakPolarHBondContact CD2-OE1 3.33Å; R278-E282 WeakPolarHBondContact CA-OE2 3.31Å; R278-E282 WeakPolarHBondContact CB-OE2 3.2Å; R278-E282 WeakPolarHBondContact CD-OE2 3.47Å; R278-E282 PolarHBondContact N-OE2 3.49Å; R278-E282 IonicContact NH1-OE1 3.83Å; R278-E282 IonicContact NH1-OE2 3.01Å; R278-E282 WeakPolarHBondContact O-CB 3.05Å; R278-E282 PolarHBondContact O-N 3.44Å; E282-P285 WeakPolarHBondContact O-CG 3.3Å; E282-I286 WeakPolarHBondContact O-CB 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.49Å; E282-I286 PolarHBondContact O-N 2.55Å
283C98.8Very high98.1Very high0 Ų021.2 Ų21.20%011%0.105CC..Iπ-helixtrans-70.8-49.3-169.5-60.20000113.7L277 R278 L279 I286 A287 I304 V316 F318L277-C283 VanDerWaalsContact CB-SG 3.56Å; R278-C283 PolarHBondContact O-N 3.04Å; L279-C283 HydrophobicContact CD1-CB 4.35Å; C283-I286 PolarHBondContact O-N 3.37Å; C283-A287 WeakPolarHBondContact O-CB 3.48Å; C283-A287 PolarHBondContact O-N 3.25Å; C283-I304 HydrophobicContact CB-CG2 4.1Å; C283-V316 HydrophobicContact CB-CG2 3.89Å; C283-V316 VanDerWaalsContact SG-CG2 3.53Å; C283-F318 HydrophobicContact CB-CD2 3.59Å; C283-F318 HydrophobicContact CB-CE2 3.7Å; C283-F318 HydrophobicContact CB-CG 4.29Å; C283-F318 HydrophobicContact CB-CZ 4.45Å; C283-F318 WeakPolarHBondContact O-CE2 3.33Å
284N98.9Very high98.2Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-60.2-52.1179.9-78.7-11.5000113.3Y141 I161 L279 I286 A287 F288 L305Y141-N284 PolarHBondContact OH-ND2 3.39Å; I161-N284 HydrophobicContact CD1-CB 4.06Å; L279-N284 WeakPolarHBondContact CD1-OD1 3.07Å; L279-N284 WeakPolarHBondContact O-CB 3.49Å; L279-N284 PolarHBondContact O-N 3.01Å; N284-I286 VanDerWaalsContact C-N 3.33Å; N284-I286 PolarHBondContact O-N 2.58Å; N284-A287 PolarHBondContact O-N 3Å; N284-F288 WeakPolarHBondContact O-CB 3.09Å; N284-F288 PolarHBondContact O-N 3.2Å; N284-L305 WeakPolarHBondContact O-CD2 3.31Å
285P98.9Very high98.4Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-59.3-42.9178.315.7-26.7000112.3I137 F138 A139 A164 Y281 E282 F288 L289I137-P285 HydrophobicContact CG2-CB 3.71Å; I137-P285 HydrophobicContact CG2-CG 3.42Å; I137-P285 VanDerWaalsContact CG2-CG 3.42Å; F138-P285 WeakPolarHBondContact O-CB 3.09Å; A139-P285 HydrophobicContact CB-CB 3.99Å; A139-P285 HydrophobicContact CB-CG 4.25Å; A164-P285 HydrophobicContact CB-CB 4.01Å; Y281-P285 WeakPolarHBondContact O-CG 3.22Å; E282-P285 WeakPolarHBondContact O-CG 3.3Å; P285-F288 PolarHBondContact O-N 2.84Å; P285-L289 VanDerWaalsContact O-CG 3.24Å; P285-L289 WeakPolarHBondContact O-CG 3.26Å; P285-L289 PolarHBondContact O-N 2.93Å; P285-L289 VanDerWaalsContact O-N 3.09Å
286I98.9Very high98.6Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-68.3-41.7178.1-66.6-45.7000112.2I137 Y166 M250 V254 E282 C283 N284 F288 L289 M290 F318 V320I137-I286 HydrophobicContact CG2-CD1 4.24Å; I137-I286 HydrophobicContact CG2-CG1 4.45Å; Y166-I286 HydrophobicContact CD1-CD1 3.61Å; Y166-I286 HydrophobicContact CE1-CD1 4.26Å; Y166-I286 HydrophobicContact CG-CD1 4.38Å; M250-I286 HydrophobicContact CE-CB 3.74Å; M250-I286 HydrophobicContact CE-CG1 3.47Å; M250-I286 VanDerWaalsContact CE-CG1 3.47Å; M250-I286 HydrophobicContact CE-CG2 4.08Å; V254-I286 HydrophobicContact CB-CG2 4.31Å; V254-I286 HydrophobicContact CG1-CD1 4.08Å; V254-I286 HydrophobicContact CG1-CG1 4.42Å; V254-I286 HydrophobicContact CG1-CG2 3.53Å; V254-I286 HydrophobicContact CG2-CG2 3.81Å; E282-I286 WeakPolarHBondContact O-CB 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.49Å; E282-I286 PolarHBondContact O-N 2.55Å; C283-I286 PolarHBondContact O-N 3.37Å; N284-I286 VanDerWaalsContact C-N 3.33Å; N284-I286 PolarHBondContact O-N 2.58Å; I286-F288 VanDerWaalsContact C-N 3.31Å; I286-F288 PolarHBondContact O-N 3.34Å; I286-L289 HydrophobicContact CD1-CD1 4.26Å; I286-L289 PolarHBondContact O-N 2.83Å; I286-M290 WeakPolarHBondContact O-CB 3.32Å; I286-M290 PolarHBondContact O-N 3.24Å; I286-F318 HydrophobicContact CB-CE1 4.38Å; I286-F318 HydrophobicContact CB-CZ 4.04Å; I286-F318 HydrophobicContact CG2-CE1 3.91Å; I286-F318 HydrophobicContact CG2-CZ 3.77Å; I286-V320 HydrophobicContact CG2-CG1 4.43Å; I286-V320 HydrophobicContact CG2-CG2 4.48Å
287A98.9Very high98.7Very high0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-59.7-43.3176.100000111.5C283 N284 L289 M290 E291 A297 I304 L305 F318C283-A287 WeakPolarHBondContact O-CB 3.48Å; C283-A287 PolarHBondContact O-N 3.25Å; N284-A287 PolarHBondContact O-N 3Å; A287-L289 PolarHBondContact O-N 3.19Å; A287-M290 PolarHBondContact O-N 3.14Å; A287-E291 WeakPolarHBondContact O-CG 3.4Å; A287-E291 PolarHBondContact O-N 2.96Å; A287-A297 HydrophobicContact CB-CB 3.41Å; A287-A297 VanDerWaalsContact CB-CB 3.41Å; A287-I304 HydrophobicContact CB-CB 3.77Å; A287-I304 HydrophobicContact CB-CG2 3.52Å; A287-L305 HydrophobicContact CB-CD2 3.65Å; A287-L305 HydrophobicContact CB-CG 4Å; A287-F318 HydrophobicContact CB-CE2 4.24Å
288F98.9Very high98.8Very high14 Ų1410.6 Ų10.66%0.0616%0.062CC..Hα-helixtrans-59-49.9176.2-177.8-91.7000110.9I161 A164 N284 P285 I286 M290 E291 Q292 L305I161-F288 HydrophobicContact CB-CD2 3.74Å; I161-F288 HydrophobicContact CB-CE2 3.94Å; I161-F288 HydrophobicContact CB-CG 4.21Å; I161-F288 HydrophobicContact CD1-CB 3.96Å; I161-F288 HydrophobicContact CD1-CD2 4.47Å; I161-F288 HydrophobicContact CD1-CG 4.34Å; I161-F288 HydrophobicContact CG2-CD1 3.99Å; I161-F288 HydrophobicContact CG2-CD2 3.75Å; I161-F288 HydrophobicContact CG2-CE1 4.03Å; I161-F288 HydrophobicContact CG2-CE2 3.81Å; I161-F288 HydrophobicContact CG2-CG 3.83Å; I161-F288 HydrophobicContact CG2-CZ 3.94Å; I161-F288 WeakPolarHBondContact O-CE2 3.4Å; A164-F288 HydrophobicContact CB-CB 4.42Å; A164-F288 HydrophobicContact CB-CD1 3.81Å; A164-F288 HydrophobicContact CB-CE1 4.46Å; A164-F288 HydrophobicContact CB-CG 4.38Å; N284-F288 WeakPolarHBondContact O-CB 3.09Å; N284-F288 PolarHBondContact O-N 3.2Å; P285-F288 PolarHBondContact O-N 2.84Å; I286-F288 VanDerWaalsContact C-N 3.31Å; I286-F288 PolarHBondContact O-N 3.34Å; F288-M290 VanDerWaalsContact C-N 3.33Å; F288-M290 PolarHBondContact O-N 2.83Å; F288-E291 PolarHBondContact O-N 2.87Å; F288-Q292 HydrophobicContact CD1-CG 4.13Å; F288-Q292 HydrophobicContact CE1-CG 3.95Å; F288-Q292 HydrophobicContact CZ-CG 4.31Å; F288-Q292 WeakPolarHBondContact O-CG 3.17Å; F288-Q292 PolarHBondContact O-N 3Å; F288-L305 HydrophobicContact CB-CD1 4.44Å; F288-L305 HydrophobicContact CB-CD2 4.2Å; F288-L305 HydrophobicContact CD2-CD1 4.49Å
289L98.9Very high98.8Very high0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-63.4-38.9178.9-64.3166.9000112.4A164 Y166 L183 P285 I286 A287 Q292 A293A164-L289 HydrophobicContact CB-CG 4.37Å; A164-L289 WeakPolarHBondContact O-CD2 3.47Å; Y166-L289 HydrophobicContact CD1-CD1 3.48Å; Y166-L289 VanDerWaalsContact CD1-CD1 3.48Å; Y166-L289 HydrophobicContact CE1-CD1 3.92Å; L183-L289 HydrophobicContact CD1-CB 4.24Å; L183-L289 HydrophobicContact CD1-CD2 3.52Å; L183-L289 HydrophobicContact CD1-CG 4.41Å; P285-L289 VanDerWaalsContact O-CG 3.24Å; P285-L289 WeakPolarHBondContact O-CG 3.26Å; P285-L289 PolarHBondContact O-N 2.93Å; P285-L289 VanDerWaalsContact O-N 3.09Å; I286-L289 HydrophobicContact CD1-CD1 4.26Å; I286-L289 PolarHBondContact O-N 2.83Å; A287-L289 PolarHBondContact O-N 3.19Å; L289-Q292 PolarHBondContact O-N 3.05Å; L289-A293 PolarHBondContact O-N 2.94Å
290M98.8Very high98.7Very high0 Ų011.3 Ų11.30%07%0.069CC..Hα-helixtrans-64.1-45.6178.3-17166.265.300111.6I204 T257 I258 I286 A287 F288 Q292 A293 G294 G295 V320I204-M290 HydrophobicContact CD1-CE 4.21Å; I204-M290 HydrophobicContact CD1-SD 3.49Å; I204-M290 WeakPolarHBondContact CD1-SD 3.48Å; I204-M290 HydrophobicContact CG2-SD 4.5Å; T257-M290 HydrophobicContact CG2-CE 4.16Å; I258-M290 HydrophobicContact CD1-CE 4.29Å; I258-M290 HydrophobicContact CG1-CE 3.53Å; I258-M290 HydrophobicContact CG1-SD 4.05Å; I286-M290 WeakPolarHBondContact O-CB 3.32Å; I286-M290 PolarHBondContact O-N 3.24Å; A287-M290 PolarHBondContact O-N 3.14Å; F288-M290 VanDerWaalsContact C-N 3.33Å; F288-M290 PolarHBondContact O-N 2.83Å; M290-Q292 VanDerWaalsContact C-N 3.32Å; M290-Q292 PolarHBondContact O-N 3.3Å; M290-A293 CarbonylContact O-C 3.58Å; M290-A293 WeakPolarHBondContact O-CA 3.42Å; M290-A293 WeakPolarHBondContact O-CB 3.46Å; M290-A293 PolarHBondContact O-N 2.61Å; M290-G294 PolarHBondContact O-N 3.18Å; M290-G294 VanDerWaalsContact O-N 3.15Å; M290-G295 PolarHBondContact O-N 2.96Å; M290-V320 HydrophobicContact CB-CG2 3.55Å; M290-V320 HydrophobicContact CE-CG1 4.31Å; M290-V320 HydrophobicContact CE-CG2 3.68Å; M290-V320 HydrophobicContact CG-CG2 3.42Å; M290-V320 VanDerWaalsContact CG-CG2 3.42Å; M290-V320 HydrophobicContact SD-CG2 4.28Å
291E98.8Very high98.6Very high48 Ų4817.2 Ų17.222%0.22411%0.105CC..Hα-helixtrans-65.9-36.1177.4-72-173.7-161.500112.1A287 F288 A293 G294 R303 L305A287-E291 WeakPolarHBondContact O-CG 3.4Å; A287-E291 PolarHBondContact O-N 2.96Å; F288-E291 PolarHBondContact O-N 2.87Å; E291-A293 PolarHBondContact O-N 3.3Å; E291-G294 WeakPolarHBondContact O-CA 3.42Å; E291-G294 PolarHBondContact O-N 2.91Å; E291-R303 IonicContact OE1-CZ 3.41Å; E291-R303 IonicContact OE1-NE 2.68Å; E291-R303 PolarHBondContact OE1-NE 3.31Å; E291-R303 IonicContact OE1-NH2 3.81Å; E291-R303 IonicContact OE2-CZ 2.61Å; E291-R303 IonicContact OE2-NE 3.02Å; E291-R303 PolarHBondContact OE2-NE 2.54Å; E291-R303 IonicContact OE2-NH2 3.85Å; E291-R303 PolarHBondContact OE2-NH2 2.76Å; E291-L305 HydrophobicContact CG-CD1 4.46Å; E291-L305 WeakPolarHBondContact OE2-CD1 3.45Å
292Q98.6Very high98.5Very high40 Ų4021.9 Ų21.919%0.18713%0.127CC..Hα-helixtrans-63.1-28.2172.1-67-66.5-42.400112.2S178 G180 L183 R203 F288 L289 M290 G294S178-Q292 WeakPolarHBondContact OG-CG 3.42Å; G180-Q292 PolarHBondContact O-OE1 3.49Å; L183-Q292 HydrophobicContact CB-CB 4.4Å; R203-Q292 PolarHBondContact NH1-O 3.44Å; F288-Q292 HydrophobicContact CD1-CG 4.13Å; F288-Q292 HydrophobicContact CE1-CG 3.95Å; F288-Q292 HydrophobicContact CZ-CG 4.31Å; F288-Q292 WeakPolarHBondContact O-CG 3.17Å; F288-Q292 PolarHBondContact O-N 3Å; L289-Q292 PolarHBondContact O-N 3.05Å; M290-Q292 VanDerWaalsContact C-N 3.32Å; M290-Q292 PolarHBondContact O-N 3.3Å; Q292-G294 VanDerWaalsContact C-N 3.32Å
293A98.7Very high98.5Very high1 Ų126.4 Ų26.41%0.00814%0.143CC..THydrogen-bonded Turntrans-83-3.9171.100000113.9L183 V202 R203 I204 I258 L289 M290 E291L183-A293 HydrophobicContact CB-CB 4.42Å; L183-A293 HydrophobicContact CD2-CB 3.83Å; V202-A293 WeakPolarHBondContact O-CA 3.33Å; R203-A293 VanDerWaalsContact CA-O 3.31Å; R203-A293 WeakPolarHBondContact CA-O 3.47Å; R203-A293 WeakPolarHBondContact CD-O 3.4Å; I204-A293 HydrophobicContact CB-CB 4.45Å; I204-A293 PolarHBondContact N-O 3.45Å; I258-A293 HydrophobicContact CG2-CB 4.42Å; L289-A293 PolarHBondContact O-N 2.94Å; M290-A293 CarbonylContact O-C 3.58Å; M290-A293 WeakPolarHBondContact O-CA 3.42Å; M290-A293 WeakPolarHBondContact O-CB 3.46Å; M290-A293 PolarHBondContact O-N 2.61Å; E291-A293 PolarHBondContact O-N 3.3Å
294G98.7Very high98.5Very high32 Ų3226.4 Ų26.433%0.3314%0.143SC..THydrogen-bonded Turntrans84.615.8-177.700000114.9M290 E291 Q292 P323M290-G294 PolarHBondContact O-N 3.18Å; M290-G294 VanDerWaalsContact O-N 3.15Å; E291-G294 WeakPolarHBondContact O-CA 3.42Å; E291-G294 PolarHBondContact O-N 2.91Å; Q292-G294 VanDerWaalsContact C-N 3.32Å; G294-P323 WeakPolarHBondContact O-CG 3.49Å
295G98.8Very high98.5Very high4 Ų426.6 Ų26.64%0.04114%0.144CC..  trans-91.3-172.817300000113.3M290 G321M290-G295 PolarHBondContact O-N 2.96Å; G295-G321 WeakPolarHBondContact CA-O 3.35Å
296L98.9Very high98.5Very high57 Ų5729.3 Ų29.330%0.29816%0.159SC..EExtended strand (participates in β ladder)trans-123148.7178.9-63.5179000111.5V320 G321 P323 V326L296-V320 CarbonylContact O-C 3.44Å; L296-V320 VanDerWaalsContact O-CA 3.26Å; L296-V320 WeakPolarHBondContact O-CA 3.16Å; L296-V320 WeakPolarHBondContact O-CG2 3.45Å; L296-G321 PolarHBondContact N-O 3.12Å; L296-G321 PolarHBondContact O-N 2.97Å; L296-P323 HydrophobicContact CD1-CB 4.13Å; L296-P323 HydrophobicContact CG-CB 4.2Å; L296-P323 HydrophobicContact CG-CG 4.49Å; L296-V326 HydrophobicContact CB-CB 4Å; L296-V326 HydrophobicContact CB-CG1 3.8Å; L296-V326 HydrophobicContact CB-CG2 4.26Å; L296-V326 HydrophobicContact CD1-CB 4.29Å; L296-V326 HydrophobicContact CD1-CG1 4.31Å
297A98.8Very high98.5Very high5 Ų529.6 Ų29.64%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-136.9124.1174.800000111.1A287 I304 F318 V319 V320A287-A297 HydrophobicContact CB-CB 3.41Å; A287-A297 VanDerWaalsContact CB-CB 3.41Å; A297-I304 HydrophobicContact CB-CB 4.22Å; A297-I304 HydrophobicContact CB-CG1 4.17Å; A297-I304 PolarHBondContact O-N 2.94Å; A297-F318 HydrophobicContact CB-CE2 4.44Å; A297-V319 CarbonylContact C-O 3.52Å; A297-V319 WeakPolarHBondContact CA-O 3.08Å; A297-V320 HydrophobicContact CB-CB 4.36Å; A297-V320 HydrophobicContact CB-CG2 3.77Å
298T98.8Very high98.5Very high9 Ų934.3 Ų34.36%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-143153.2-173.9-175.60000112.7G300 Q302 V319 V326 L330T298-G300 PolarHBondContact OG1-N 2.93Å; T298-Q302 WeakPolarHBondContact CA-O 3.49Å; T298-Q302 PolarHBondContact OG1-O 3.31Å; T298-V319 HydrophobicContact CG2-CB 4.07Å; T298-V319 HydrophobicContact CG2-CG1 4.42Å; T298-V319 PolarHBondContact N-O 3.01Å; T298-V319 PolarHBondContact O-N 3.19Å; T298-V326 HydrophobicContact CG2-CG1 3.82Å; T298-L330 HydrophobicContact CG2-CD1 4.41Å; T298-L330 HydrophobicContact CG2-CD2 3.97Å; T298-L330 HydrophobicContact CG2-CG 4.31Å
299T98.4Very high98.4Very high14 Ų1433.8 Ų33.89%0.08618%0.181CC..  trans-75.9-8.6164.163.90000112.7T301 Q302 I304 V307 P317T299-T301 PolarHBondContact OG1-N 3.4Å; T299-T301 VanDerWaalsContact OG1-N 3.13Å; T299-T301 PolarHBondContact OG1-OG1 3.02Å; T299-Q302 HydrophobicContact CG2-CG 3.87Å; T299-Q302 PolarHBondContact N-O 3.29Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.49Å; T299-Q302 PolarHBondContact OG1-N 3.18Å; T299-Q302 PolarHBondContact OG1-O 2.92Å; T299-I304 HydrophobicContact CG2-CD1 3.52Å; T299-V307 HydrophobicContact CG2-CG2 4.13Å; T299-P317 WeakPolarHBondContact CA-O 3.37Å
300G97.1Very high98.4Very high8 Ų840.9 Ų40.98%0.08221%0.214CC..SBendtrans96.9-20.4-16400000113.2T298 L330T298-G300 PolarHBondContact OG1-N 2.93Å; G300-L330 VanDerWaalsContact O-CD2 3.28Å; G300-L330 WeakPolarHBondContact O-CD2 3.32Å
301T95.8Very high98.4Very high124 Ų12444.5 Ų44.576%0.76124%0.236SC*.SBendtrans-125.3-25-179.154.30000113.6T299T299-T301 PolarHBondContact OG1-N 3.4Å; T299-T301 VanDerWaalsContact OG1-N 3.13Å; T299-T301 PolarHBondContact OG1-OG1 3.02Å
302Q97.8Very high98.4Very high98 Ų9842.5 Ų42.546%0.45823%0.227SC..SBendtrans-144162.6177.859-177.4-12.600110.8T298 T299 V307T298-Q302 WeakPolarHBondContact CA-O 3.49Å; T298-Q302 PolarHBondContact OG1-O 3.31Å; T299-Q302 HydrophobicContact CG2-CG 3.87Å; T299-Q302 PolarHBondContact N-O 3.29Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.49Å; T299-Q302 PolarHBondContact OG1-N 3.18Å; T299-Q302 PolarHBondContact OG1-O 2.92Å; Q302-V307 HydrophobicContact CG-CG2 3.98Å
303R98.7Very high98.3Very high100 Ų10042.5 Ų42.538%0.37723%0.227SC..BIsolated β-bridgetrans-71.4136.6173.2172.6166.6168.1-118.38110E291 L305 D306E291-R303 IonicContact OE1-CZ 3.41Å; E291-R303 IonicContact OE1-NE 2.68Å; E291-R303 PolarHBondContact OE1-NE 3.31Å; E291-R303 IonicContact OE1-NH2 3.81Å; E291-R303 IonicContact OE2-CZ 2.61Å; E291-R303 IonicContact OE2-NE 3.02Å; E291-R303 PolarHBondContact OE2-NE 2.54Å; E291-R303 IonicContact OE2-NH2 3.85Å; E291-R303 PolarHBondContact OE2-NH2 2.76Å; R303-L305 PolarHBondContact O-N 3Å; R303-D306 HydrophobicContact CB-CB 4.49Å; R303-D306 WeakPolarHBondContact CB-OD2 3.49Å; R303-D306 VanDerWaalsContact CD-OD2 3.24Å; R303-D306 WeakPolarHBondContact CD-OD2 3.39Å; R303-D306 WeakPolarHBondContact CG-OD2 3.28Å; R303-D306 IonicContact CZ-OD1 2.75Å; R303-D306 IonicContact CZ-OD2 2.77Å; R303-D306 IonicContact NE-OD2 3.18Å; R303-D306 VanDerWaalsContact NH1-CG 3.31Å; R303-D306 IonicContact NH1-OD1 2.75Å; R303-D306 PolarHBondContact NH1-OD1 3.3Å; R303-D306 IonicContact NH1-OD2 3.77Å; R303-D306 PolarHBondContact NH1-OD2 2.6Å; R303-D306 PolarHBondContact O-N 3.25Å
304I98.8Very high98.3Very high0 Ų044 Ų440%023%0.234CC..G310 helixtrans-61.9-43.9-174-69.6-71.7000112.2L279 C283 A287 A297 T299 D306 V307 V316 F318L279-I304 HydrophobicContact CD1-CG2 4.3Å; C283-I304 HydrophobicContact CB-CG2 4.1Å; A287-I304 HydrophobicContact CB-CB 3.77Å; A287-I304 HydrophobicContact CB-CG2 3.52Å; A297-I304 HydrophobicContact CB-CB 4.22Å; A297-I304 HydrophobicContact CB-CG1 4.17Å; A297-I304 PolarHBondContact O-N 2.94Å; T299-I304 HydrophobicContact CG2-CD1 3.52Å; I304-D306 PolarHBondContact O-N 3.02Å; I304-D306 VanDerWaalsContact O-N 3.14Å; I304-V307 WeakPolarHBondContact O-CB 3.49Å; I304-V307 WeakPolarHBondContact O-CG2 3.46Å; I304-V307 PolarHBondContact O-N 2.99Å; I304-V307 VanDerWaalsContact O-N 3.13Å; I304-V316 HydrophobicContact CD1-CG2 4.19Å; I304-F318 HydrophobicContact CB-CE2 4.36Å; I304-F318 HydrophobicContact CD1-CD2 3.61Å; I304-F318 HydrophobicContact CD1-CE2 4.12Å; I304-F318 HydrophobicContact CG1-CD2 3.73Å; I304-F318 HydrophobicContact CG1-CE2 3.75Å; I304-F318 HydrophobicContact CG2-CD2 4.49Å; I304-F318 HydrophobicContact CG2-CE2 4.08Å
305L98.8Very high98.3Very high4 Ų446 Ų462%0.02123%0.231CC..G310 helixtrans-68-14.4-176.7-61.6-174.1000114G158 N159 N284 A287 F288 E291 R303G158-L305 PolarHBondContact N-O 2.99Å; N159-L305 HydrophobicContact CB-CB 4.26Å; N159-L305 PolarHBondContact N-O 2.94Å; N159-L305 PolarHBondContact ND2-O 2.84Å; N284-L305 WeakPolarHBondContact O-CD2 3.31Å; A287-L305 HydrophobicContact CB-CD2 3.65Å; A287-L305 HydrophobicContact CB-CG 4Å; F288-L305 HydrophobicContact CB-CD1 4.44Å; F288-L305 HydrophobicContact CB-CD2 4.2Å; F288-L305 HydrophobicContact CD2-CD1 4.49Å; E291-L305 HydrophobicContact CG-CD1 4.46Å; E291-L305 WeakPolarHBondContact OE2-CD1 3.45Å; R303-L305 PolarHBondContact O-N 3Å
306D98.8Very high98.2Very high58 Ų5846.1 Ų46.131%0.3123%0.231SC..G310 helixtrans-98.2-1.1179.2-59-36.8000112.4Q157 N159 R303 I304 Q308Q157-D306 PolarHBondContact NE2-O 3.42Å; N159-D306 PolarHBondContact ND2-OD1 2.95Å; R303-D306 HydrophobicContact CB-CB 4.49Å; R303-D306 WeakPolarHBondContact CB-OD2 3.49Å; R303-D306 VanDerWaalsContact CD-OD2 3.24Å; R303-D306 WeakPolarHBondContact CD-OD2 3.39Å; R303-D306 WeakPolarHBondContact CG-OD2 3.28Å; R303-D306 IonicContact CZ-OD1 2.75Å; R303-D306 IonicContact CZ-OD2 2.77Å; R303-D306 IonicContact NE-OD2 3.18Å; R303-D306 VanDerWaalsContact NH1-CG 3.31Å; R303-D306 IonicContact NH1-OD1 2.75Å; R303-D306 PolarHBondContact NH1-OD1 3.3Å; R303-D306 IonicContact NH1-OD2 3.77Å; R303-D306 PolarHBondContact NH1-OD2 2.6Å; R303-D306 PolarHBondContact O-N 3.25Å; I304-D306 PolarHBondContact O-N 3.02Å; I304-D306 VanDerWaalsContact O-N 3.14Å; D306-Q308 PolarHBondContact O-N 3.23Å
307V98.7Very high98.2Very high5 Ų544.6 Ų44.63%0.0323%0.225CC..PPolyproline II helixtrans-70.5119.7174.3-174.90000109.3L279 T299 Q302 I304 P309L279-V307 HydrophobicContact CD1-CB 4.21Å; L279-V307 HydrophobicContact CD1-CG1 4.43Å; L279-V307 HydrophobicContact CD2-CB 4.07Å; L279-V307 HydrophobicContact CD2-CG1 3.62Å; T299-V307 HydrophobicContact CG2-CG2 4.13Å; Q302-V307 HydrophobicContact CG-CG2 3.98Å; I304-V307 WeakPolarHBondContact O-CB 3.49Å; I304-V307 WeakPolarHBondContact O-CG2 3.46Å; I304-V307 PolarHBondContact O-N 2.99Å; I304-V307 VanDerWaalsContact O-N 3.13Å; V307-P309 VanDerWaalsContact O-CD 3.28Å; V307-P309 WeakPolarHBondContact O-CD 3.28Å
308Q98.4Very high98.2Very high99 Ų9944.4 Ų44.446%0.46322%0.223SC..PPolyproline II helixtrans-74.7118.2170.4177.755.94900109.4L155 Q157 D306L155-Q308 PolarHBondContact O-NE2 2.85Å; Q157-Q308 HydrophobicContact CG-CB 4.36Å; D306-Q308 PolarHBondContact O-N 3.23Å
309P98.4Very high98.2Very high4 Ų444 Ų443%0.02622%0.22CC..PPolyproline II helixtrans-69.2135.6175.7-16.831.4000111.2L155 Q156 L279 L280 V307L155-P309 HydrophobicContact CB-CB 4.41Å; L155-P309 HydrophobicContact CD2-CB 3.81Å; Q156-P309 WeakPolarHBondContact O-CD 3.21Å; Q156-P309 VanDerWaalsContact O-CG 3.27Å; Q156-P309 WeakPolarHBondContact O-CG 3.36Å; L279-P309 HydrophobicContact CD2-CB 4Å; L279-P309 HydrophobicContact CD2-CG 3.83Å; L280-P309 HydrophobicContact CD2-CB 3.89Å; L280-P309 HydrophobicContact CD2-CG 3.54Å; V307-P309 VanDerWaalsContact O-CD 3.28Å; V307-P309 WeakPolarHBondContact O-CD 3.28Å
310E98.1Very high98.2Very high149 Ų14943.3 Ų43.370%0.69622%0.216SC*.SBendtrans-98.4-30174.8-63.7176.9-178.100112
311T98.3Very high98.3Very high75 Ų7542.9 Ų42.946%0.4621%0.212SC..SBendtrans-143.1154.6-178.364.40000111L155 H313 Q314L155-T311 VanDerWaalsContact CD2-C 3.49Å; T311-H313 PolarHBondContact O-N 3.47Å; T311-Q314 WeakPolarHBondContact O-CB 3.5Å; T311-Q314 PolarHBondContact O-N 3.13Å; T311-Q314 PolarHBondContact OG1-N 2.93Å
312L98.2Very high98.5Very high7 Ų737 Ų374%0.03718%0.176CC..THydrogen-bonded Turntrans-58.9-33.3-177.2-60.6-177.9000113.5V97 L104 E151 A154 L155 L280V97-L312 HydrophobicContact CG1-CB 4.21Å; V97-L312 HydrophobicContact CG2-CD2 3.94Å; L104-L312 HydrophobicContact CB-CD1 4.23Å; E151-L312 HydrophobicContact CB-CD2 4.2Å; E151-L312 HydrophobicContact CG-CD1 4.11Å; E151-L312 HydrophobicContact CG-CD2 4.39Å; E151-L312 HydrophobicContact CG-CG 4.46Å; A154-L312 HydrophobicContact CB-CD2 4.06Å; L155-L312 HydrophobicContact CD2-CD2 4.11Å; L155-L312 HydrophobicContact CG-CD2 4.39Å; L280-L312 HydrophobicContact CD1-CD2 4.34Å; L280-L312 WeakPolarHBondContact CD1-O 3.28Å
313H97.9Very high98.5Very high40 Ų4033 Ų3319%0.18516%0.158CC..THydrogen-bonded Turntrans-112.627.6-176.5-51.4-81.9000112.4S98 N101 K102 Y281 T311 R315S98-H313 PolarHBondContact O-CE1 3.26Å; N101-H313 PolarHBondContact O-CE1 3.48Å; N101-H313 PolarHBondContact O-NE2 3.04Å; K102-H313 PolarHBondContact O-NE2 3.03Å; Y281-H313 AromaticContact CE1-ND1 3.94Å; Y281-H313 AromaticContact CZ-ND1 3.88Å; Y281-H313 PolarHBondContact OH-ND1 3.2Å; T311-H313 PolarHBondContact O-N 3.47Å; H313-R315 PolarHBondContact O-N 2.92Å
314Q98.1Very high98.5Very high32 Ų3231.7 Ų31.715%0.1516%0.159CC..  trans-58.5129.3178.1176.4174-2300111.2R278 L279 T311 V316R278-Q314 CarbonylContact C-O 3.57Å; R278-Q314 VanDerWaalsContact CA-O 3.31Å; R278-Q314 WeakPolarHBondContact CA-O 3.42Å; L279-Q314 PolarHBondContact N-O 2.91Å; T311-Q314 WeakPolarHBondContact O-CB 3.5Å; T311-Q314 PolarHBondContact O-N 3.13Å; T311-Q314 PolarHBondContact OG1-N 2.93Å; Q314-V316 HydrophobicContact CG-CG1 4.41Å
315R98.1Very high98.5Very high75 Ų7531.7 Ų31.728%0.28316%0.159SC..BIsolated β-bridgetrans-88.7147.4171-66178.6175.5172.52.9111.5T68 K274 K276 L277 R278 H313T68-R315 PolarHBondContact O-NH2 2.86Å; T68-R315 VanDerWaalsContact O-NH2 3.16Å; K274-R315 HydrophobicContact CB-CB 4.38Å; K274-R315 CarbonylContact O-C 3.13Å; K274-R315 WeakPolarHBondContact O-CB 3.41Å; K276-R315 WeakPolarHBondContact O-CD 3.19Å; K276-R315 WeakPolarHBondContact O-CG 3.45Å; K276-R315 PolarHBondContact O-NE 2.94Å; L277-R315 CarbonylContact O-C 3.41Å; L277-R315 WeakPolarHBondContact O-CA 3.27Å; R278-R315 HydrophobicContact CG-CG 4.12Å; H313-R315 PolarHBondContact O-N 2.92Å
316V98.3Very high98.5Very high6 Ų631.5 Ų31.54%0.03616%0.158CC..  trans-138.4148.2172.1-62.80000111.6K274 L277 L279 C283 I304 Q314K274-V316 CarbonylContact O-C 3.11Å; K274-V316 WeakPolarHBondContact O-CA 3.47Å; K274-V316 PolarHBondContact O-N 3.48Å; L277-V316 PolarHBondContact O-N 3.45Å; L279-V316 HydrophobicContact CB-CG1 4.21Å; L279-V316 HydrophobicContact CB-CG2 4.36Å; L279-V316 HydrophobicContact CD1-CG1 4.14Å; L279-V316 HydrophobicContact CD1-CG2 3.94Å; L279-V316 HydrophobicContact CD2-CG1 4.32Å; L279-V316 HydrophobicContact CG-CG1 4.46Å; C283-V316 HydrophobicContact CB-CG2 3.89Å; C283-V316 VanDerWaalsContact SG-CG2 3.53Å; I304-V316 HydrophobicContact CD1-CG2 4.19Å; Q314-V316 HydrophobicContact CG-CG1 4.41Å
317P98.3Very high98.5Very high25 Ų2532.7 Ų32.716%0.16216%0.164CC..  trans-59.3144.3161.9-22.636.8000109.9A268 K274 T299A268-P317 HydrophobicContact CB-CB 4.4Å; A268-P317 HydrophobicContact CB-CG 3.82Å; K274-P317 WeakPolarHBondContact O-CD 3.43Å; T299-P317 WeakPolarHBondContact CA-O 3.37Å
318F98.8Very high98.5Very high0 Ų034.2 Ų34.20%017%0.171CC..EExtended strand (participates in β ladder)trans-141.1122-173.5-167.7-115.1000111.8M250 F264 Y266 L277 C283 I286 A287 A297 I304 V320M250-F318 HydrophobicContact CE-CD1 3.84Å; M250-F318 HydrophobicContact CE-CE1 3.4Å; M250-F318 VanDerWaalsContact CE-CE1 3.4Å; M250-F318 HydrophobicContact CE-CZ 4.07Å; F264-F318 HydrophobicContact CD1-CD1 4.13Å; F264-F318 HydrophobicContact CD1-CE1 4.4Å; F264-F318 HydrophobicContact CE1-CD1 4.04Å; Y266-F318 CarbonylContact C-O 3.43Å; Y266-F318 PolarHBondContact N-O 3.17Å; Y266-F318 PolarHBondContact O-N 2.8Å; L277-F318 HydrophobicContact CD1-CB 3.97Å; L277-F318 HydrophobicContact CD1-CD1 3.94Å; L277-F318 HydrophobicContact CD1-CG 4.28Å; C283-F318 HydrophobicContact CB-CD2 3.59Å; C283-F318 HydrophobicContact CB-CE2 3.7Å; C283-F318 HydrophobicContact CB-CG 4.29Å; C283-F318 HydrophobicContact CB-CZ 4.45Å; C283-F318 WeakPolarHBondContact O-CE2 3.33Å; I286-F318 HydrophobicContact CB-CE1 4.38Å; I286-F318 HydrophobicContact CB-CZ 4.04Å; I286-F318 HydrophobicContact CG2-CE1 3.91Å; I286-F318 HydrophobicContact CG2-CZ 3.77Å; A287-F318 HydrophobicContact CB-CE2 4.24Å; A297-F318 HydrophobicContact CB-CE2 4.44Å; I304-F318 HydrophobicContact CB-CE2 4.36Å; I304-F318 HydrophobicContact CD1-CD2 3.61Å; I304-F318 HydrophobicContact CD1-CE2 4.12Å; I304-F318 HydrophobicContact CG1-CD2 3.73Å; I304-F318 HydrophobicContact CG1-CE2 3.75Å; I304-F318 HydrophobicContact CG2-CD2 4.49Å; I304-F318 HydrophobicContact CG2-CE2 4.08Å; F318-V320 HydrophobicContact CD1-CG1 4.25Å; F318-V320 HydrophobicContact CE1-CB 3.82Å; F318-V320 HydrophobicContact CE1-CG1 3.53Å; F318-V320 HydrophobicContact CE1-CG2 4.48Å; F318-V320 HydrophobicContact CZ-CB 3.86Å; F318-V320 HydrophobicContact CZ-CG1 4.03Å; F318-V320 HydrophobicContact CZ-CG2 4.15Å
319V98.8Very high98.5Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-132.2128.3173.4174.90000108.4I263 F264 M265 A297 T298 Y329I263-V319 HydrophobicContact CD1-CG1 3.63Å; I263-V319 HydrophobicContact CG1-CG1 3.92Å; F264-V319 WeakPolarHBondContact O-CA 3.49Å; M265-V319 HydrophobicContact CB-CG2 4.1Å; M265-V319 HydrophobicContact CG-CG1 3.98Å; M265-V319 HydrophobicContact CG-CG2 4.09Å; A297-V319 CarbonylContact C-O 3.52Å; A297-V319 WeakPolarHBondContact CA-O 3.08Å; T298-V319 HydrophobicContact CG2-CB 4.07Å; T298-V319 HydrophobicContact CG2-CG1 4.42Å; T298-V319 PolarHBondContact N-O 3.01Å; T298-V319 PolarHBondContact O-N 3.19Å; V319-Y329 HydrophobicContact CB-CD1 4.35Å; V319-Y329 HydrophobicContact CB-CE1 4.04Å; V319-Y329 HydrophobicContact CG1-CD1 3.81Å; V319-Y329 HydrophobicContact CG1-CE1 4.01Å; V319-Y329 HydrophobicContact CG1-CG 4.21Å; V319-Y329 HydrophobicContact CG2-CD1 4.38Å; V319-Y329 HydrophobicContact CG2-CE1 3.74Å; V319-Y329 HydrophobicContact CG2-CE2 4.27Å
320V98.9Very high98.5Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-147.9145.6-171.473.90000111.5V254 F264 I286 M290 L296 A297 F318V254-V320 HydrophobicContact CG2-CG1 4.42Å; F264-V320 HydrophobicContact CB-CG1 3.93Å; F264-V320 HydrophobicContact CD1-CG1 3.94Å; F264-V320 HydrophobicContact CG-CG1 4.4Å; F264-V320 PolarHBondContact N-O 2.82Å; F264-V320 PolarHBondContact O-N 3.11Å; I286-V320 HydrophobicContact CG2-CG1 4.43Å; I286-V320 HydrophobicContact CG2-CG2 4.48Å; M290-V320 HydrophobicContact CB-CG2 3.55Å; M290-V320 HydrophobicContact CE-CG1 4.31Å; M290-V320 HydrophobicContact CE-CG2 3.68Å; M290-V320 HydrophobicContact CG-CG2 3.42Å; M290-V320 VanDerWaalsContact CG-CG2 3.42Å; M290-V320 HydrophobicContact SD-CG2 4.28Å; L296-V320 CarbonylContact O-C 3.44Å; L296-V320 VanDerWaalsContact O-CA 3.26Å; L296-V320 WeakPolarHBondContact O-CA 3.16Å; L296-V320 WeakPolarHBondContact O-CG2 3.45Å; A297-V320 HydrophobicContact CB-CB 4.36Å; A297-V320 HydrophobicContact CB-CG2 3.77Å; F318-V320 HydrophobicContact CD1-CG1 4.25Å; F318-V320 HydrophobicContact CE1-CB 3.82Å; F318-V320 HydrophobicContact CE1-CG1 3.53Å; F318-V320 HydrophobicContact CE1-CG2 4.48Å; F318-V320 HydrophobicContact CZ-CB 3.86Å; F318-V320 HydrophobicContact CZ-CG1 4.03Å; F318-V320 HydrophobicContact CZ-CG2 4.15Å
321G98.8Very high98.5Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans151.7-148.9172.900000115G262 G295 L296G262-G321 CarbonylContact O-C 3.56Å; G262-G321 WeakPolarHBondContact O-CA 3.18Å; G295-G321 WeakPolarHBondContact CA-O 3.35Å; L296-G321 PolarHBondContact N-O 3.12Å; L296-G321 PolarHBondContact O-N 2.97Å
322S98.9Very high98.5Very high0 Ų025.5 Ų25.50%013%0.133CC..  trans-55.1130.1178.7-81.50000111K205 Q206 G261 G262 D324 D325 V326K205-S322 VanDerWaalsContact O-CB 3.28Å; K205-S322 WeakPolarHBondContact O-CB 3.41Å; K205-S322 PolarHBondContact O-OG 2.92Å; Q206-S322 CarbonylContact O-C 3.43Å; Q206-S322 WeakPolarHBondContact O-CB 3.16Å; G261-S322 WeakPolarHBondContact CA-OG 3.26Å; G262-S322 PolarHBondContact N-OG 2.89Å; G262-S322 WeakPolarHBondContact O-CB 3.49Å; G262-S322 PolarHBondContact O-N 2.86Å; S322-D324 VanDerWaalsContact C-N 3.33Å; S322-D324 PolarHBondContact O-N 3.3Å; S322-D325 WeakPolarHBondContact CB-OD2 3.26Å; S322-D325 PolarHBondContact O-N 2.97Å; S322-D325 VanDerWaalsContact O-N 3.13Å; S322-V326 WeakPolarHBondContact O-CG2 3.35Å; S322-V326 PolarHBondContact O-N 3.04Å
323P98.9Very high98.4Very high13 Ų1326.1 Ų26.18%0.08414%0.137CC..Hα-helixtrans-51.8-45.6-175.8-30.435.5000114.7Q206 G294 L296 D325 V326 N327Q206-P323 WeakPolarHBondContact O-CD 3.41Å; G294-P323 WeakPolarHBondContact O-CG 3.49Å; L296-P323 HydrophobicContact CD1-CB 4.13Å; L296-P323 HydrophobicContact CG-CB 4.2Å; L296-P323 HydrophobicContact CG-CG 4.49Å; P323-D325 PolarHBondContact O-N 3.35Å; P323-V326 PolarHBondContact O-N 3.08Å; P323-N327 VanDerWaalsContact O-CB 3.3Å; P323-N327 WeakPolarHBondContact O-CB 3.32Å; P323-N327 VanDerWaalsContact O-CG 3.28Å; P323-N327 PolarHBondContact O-N 3.06Å; P323-N327 PolarHBondContact O-ND2 3.47Å
324D98.7Very high98.3Very high73 Ų7332.3 Ų32.339%0.3916%0.163SC..Hα-helixtrans-66.5-40-178-65.3-17000111.2Q206 K207 S322 E328Q206-D324 VanDerWaalsContact O-CB 3.31Å; Q206-D324 WeakPolarHBondContact O-CB 3.41Å; Q206-D324 PolarHBondContact O-N 3.23Å; K207-D324 HydrophobicContact CB-CB 3.91Å; K207-D324 HydrophobicContact CD-CB 4.24Å; K207-D324 HydrophobicContact CG-CB 4.13Å; S322-D324 VanDerWaalsContact C-N 3.33Å; S322-D324 PolarHBondContact O-N 3.3Å; D324-E328 VanDerWaalsContact O-CB 3.22Å; D324-E328 WeakPolarHBondContact O-CB 3.29Å; D324-E328 PolarHBondContact O-N 2.9Å
325D98.8Very high98.2Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-68.6-39.4179.7-66.5-55.8000112G208 Y228 K232 Y242 I263 S322 P323 Y329G208-D325 WeakPolarHBondContact CA-OD2 3.41Å; G208-D325 PolarHBondContact N-OD2 3.02Å; Y228-D325 PolarHBondContact OH-O 3.45Å; K232-D325 IonicContact NZ-OD1 3.18Å; Y242-D325 VanDerWaalsContact CE2-OD1 3.26Å; Y242-D325 WeakPolarHBondContact CE2-OD1 3.32Å; Y242-D325 VanDerWaalsContact CZ-OD1 3.29Å; Y242-D325 PolarHBondContact OH-OD1 3.27Å; I263-D325 HydrophobicContact CB-CB 4.05Å; I263-D325 HydrophobicContact CD1-CB 4.44Å; S322-D325 WeakPolarHBondContact CB-OD2 3.26Å; S322-D325 PolarHBondContact O-N 2.97Å; S322-D325 VanDerWaalsContact O-N 3.13Å; P323-D325 PolarHBondContact O-N 3.35Å; D325-Y329 WeakPolarHBondContact O-CB 3.49Å; D325-Y329 PolarHBondContact O-N 3.27Å
326V98.8Very high97.8Very high0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-71.6-41177.8176.70000111.1I263 L296 T298 S322 P323 E328 Y329 L330I263-V326 HydrophobicContact CD1-CG2 4.08Å; I263-V326 HydrophobicContact CG1-CG2 4.16Å; L296-V326 HydrophobicContact CB-CB 4Å; L296-V326 HydrophobicContact CB-CG1 3.8Å; L296-V326 HydrophobicContact CB-CG2 4.26Å; L296-V326 HydrophobicContact CD1-CB 4.29Å; L296-V326 HydrophobicContact CD1-CG1 4.31Å; T298-V326 HydrophobicContact CG2-CG1 3.82Å; S322-V326 WeakPolarHBondContact O-CG2 3.35Å; S322-V326 PolarHBondContact O-N 3.04Å; P323-V326 PolarHBondContact O-N 3.08Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-Y329 WeakPolarHBondContact O-CB 3.43Å; V326-Y329 PolarHBondContact O-N 3.19Å; V326-L330 HydrophobicContact CG1-CD1 4.38Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.25Å
327N98.8Very high96.9Very high84 Ų8444 Ų4445%0.44923%0.234SC..Hα-helixtrans-65.5-39.3175.7-77.3-38.4000111.9P323 L330 S331P323-N327 VanDerWaalsContact O-CB 3.3Å; P323-N327 WeakPolarHBondContact O-CB 3.32Å; P323-N327 VanDerWaalsContact O-CG 3.28Å; P323-N327 PolarHBondContact O-N 3.06Å; P323-N327 PolarHBondContact O-ND2 3.47Å; N327-L330 PolarHBondContact O-N 3.39Å; N327-S331 PolarHBondContact O-N 3.49Å
328E98.2Very high96.8Very high36 Ų3645 Ų4517%0.16824%0.237CC..Hα-helixtrans-60.7-49.1172.4-176.2179.8-173.400110.5Y228 H231 K232 D324 V326 L330 S331 F332Y228-E328 HydrophobicContact CE2-CB 4.46Å; Y228-E328 HydrophobicContact CE2-CG 4.13Å; H231-E328 IonicContact CD2-OE1 2.89Å; H231-E328 PolarHBondContact CD2-OE1 2.89Å; H231-E328 IonicContact NE2-OE1 3.95Å; H231-E328 PolarHBondContact NE2-OE1 2.9Å; K232-E328 IonicContact NZ-OE1 3.61Å; K232-E328 PolarHBondContact NZ-OE1 2.76Å; K232-E328 IonicContact NZ-OE2 2.76Å; K232-E328 PolarHBondContact NZ-OE2 3.42Å; D324-E328 VanDerWaalsContact O-CB 3.22Å; D324-E328 WeakPolarHBondContact O-CB 3.29Å; D324-E328 PolarHBondContact O-N 2.9Å; V326-E328 VanDerWaalsContact C-N 3.34Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.36Å; E328-S331 WeakPolarHBondContact O-CA 3.45Å; E328-S331 VanDerWaalsContact O-CB 3.31Å; E328-S331 WeakPolarHBondContact O-CB 3.44Å; E328-S331 PolarHBondContact O-N 3.31Å; E328-S331 PolarHBondContact O-OG 2.82Å; E328-F332 HydrophobicContact CG-CE2 4.06Å; E328-F332 VanDerWaalsContact O-CD2 3.28Å; E328-F332 WeakPolarHBondContact O-CD2 3.31Å; E328-F332 PolarHBondContact O-N 3.25Å
329Y98.4Very high96.7Very high9 Ų947.4 Ų47.44%0.03525%0.25CC..Hα-helixtrans-52-47.3172.7164.1-96.3000112.7I225 Y228 I263 M265 V319 D325 V326 S331 F332 V333I225-Y329 HydrophobicContact CD1-CE2 3.46Å; I225-Y329 VanDerWaalsContact CD1-CE2 3.46Å; I225-Y329 WeakPolarHBondContact CD1-OH 3.41Å; Y228-Y329 HydrophobicContact CD1-CD2 4.24Å; Y228-Y329 HydrophobicContact CE1-CD2 4.48Å; Y228-Y329 HydrophobicContact CG-CD2 4.31Å; I263-Y329 HydrophobicContact CD1-CG 4.43Å; M265-Y329 HydrophobicContact SD-CD2 4.11Å; M265-Y329 HydrophobicContact SD-CE2 4.38Å; V319-Y329 HydrophobicContact CB-CD1 4.35Å; V319-Y329 HydrophobicContact CB-CE1 4.04Å; V319-Y329 HydrophobicContact CG1-CD1 3.81Å; V319-Y329 HydrophobicContact CG1-CE1 4.01Å; V319-Y329 HydrophobicContact CG1-CG 4.21Å; V319-Y329 HydrophobicContact CG2-CD1 4.38Å; V319-Y329 HydrophobicContact CG2-CE1 3.74Å; V319-Y329 HydrophobicContact CG2-CE2 4.27Å; D325-Y329 WeakPolarHBondContact O-CB 3.49Å; D325-Y329 PolarHBondContact O-N 3.27Å; V326-Y329 WeakPolarHBondContact O-CB 3.43Å; V326-Y329 PolarHBondContact O-N 3.19Å; Y329-S331 PolarHBondContact O-N 2.85Å; Y329-F332 WeakPolarHBondContact O-CB 3.43Å; Y329-F332 PolarHBondContact O-N 3.44Å; Y329-F332 VanDerWaalsContact O-N 3.08Å; Y329-V333 HydrophobicContact CD1-CG2 4.24Å; Y329-V333 HydrophobicContact CE1-CG2 3.65Å; Y329-V333 HydrophobicContact CE2-CG2 4.01Å; Y329-V333 VanDerWaalsContact CZ-CG2 3.5Å; Y329-V333 PolarHBondContact O-N 2.89Å
330L98.5Very high96.6Very high48 Ų4850 Ų5025%0.25126%0.263SS..Hα-helixtrans-61.6-31.7177.8-73.4171.7000112.5T298 G300 V326 N327 E328 F332 V333 K334T298-L330 HydrophobicContact CG2-CD1 4.41Å; T298-L330 HydrophobicContact CG2-CD2 3.97Å; T298-L330 HydrophobicContact CG2-CG 4.31Å; G300-L330 VanDerWaalsContact O-CD2 3.28Å; G300-L330 WeakPolarHBondContact O-CD2 3.32Å; V326-L330 HydrophobicContact CG1-CD1 4.38Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.25Å; N327-L330 PolarHBondContact O-N 3.39Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.36Å; L330-F332 VanDerWaalsContact C-N 3.33Å; L330-V333 PolarHBondContact O-N 2.92Å; L330-K334 WeakPolarHBondContact O-CB 3.05Å; L330-K334 PolarHBondContact O-N 3.14Å
331S98.1Very high96.5Very high65 Ų6552.9 Ų52.946%0.45528%0.279SS..Hα-helixtrans-64.3-37.6174.382.40000112.3N327 E328 Y329 K334 K335N327-S331 PolarHBondContact O-N 3.49Å; E328-S331 WeakPolarHBondContact O-CA 3.45Å; E328-S331 VanDerWaalsContact O-CB 3.31Å; E328-S331 WeakPolarHBondContact O-CB 3.44Å; E328-S331 PolarHBondContact O-N 3.31Å; E328-S331 PolarHBondContact O-OG 2.82Å; Y329-S331 PolarHBondContact O-N 2.85Å; S331-K334 PolarHBondContact O-N 3.06Å; S331-K335 PolarHBondContact O-N 3.33Å
332F97.6Very high96.3Very high23 Ų2356.3 Ų56.310%0.10130%0.296CS..Hα-helixtrans-69.2-40172.2-73.8-94.3000111.4S224 E227 Y228 H231 E328 Y329 L330 K334 K335 F336S224-F332 WeakPolarHBondContact CB-O 3.4Å; E227-F332 HydrophobicContact CB-CD1 4Å; E227-F332 HydrophobicContact CB-CE1 4.29Å; E227-F332 HydrophobicContact CG-CD1 4.02Å; E227-F332 HydrophobicContact CG-CE1 3.88Å; Y228-F332 AromaticContact CD2-CD2 3.61Å; Y228-F332 HydrophobicContact CD2-CD2 3.61Å; Y228-F332 AromaticContact CD2-CE2 3.86Å; Y228-F332 HydrophobicContact CD2-CE2 3.86Å; Y228-F332 HydrophobicContact CD2-CG 4.27Å; Y228-F332 HydrophobicContact CG-CD2 4.41Å; H231-F332 HydrophobicContact CB-CE1 4.24Å; H231-F332 HydrophobicContact CB-CZ 3.73Å; H231-F332 AromaticContact CG-CZ 3.77Å; E328-F332 HydrophobicContact CG-CE2 4.06Å; E328-F332 VanDerWaalsContact O-CD2 3.28Å; E328-F332 WeakPolarHBondContact O-CD2 3.31Å; E328-F332 PolarHBondContact O-N 3.25Å; Y329-F332 WeakPolarHBondContact O-CB 3.43Å; Y329-F332 PolarHBondContact O-N 3.44Å; Y329-F332 VanDerWaalsContact O-N 3.08Å; L330-F332 VanDerWaalsContact C-N 3.33Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.07Å; F332-K335 PolarHBondContact O-N 3.25Å; F332-F336 VanDerWaalsContact O-CD2 3.32Å; F332-F336 WeakPolarHBondContact O-CD2 2.99Å
333V96.6Very high96.1Very high20 Ų2060 Ų6012%0.12132%0.316CS..Hα-helixtrans-58.8-47174178.20000110.8Y329 L330 K335 F336 S337Y329-V333 HydrophobicContact CD1-CG2 4.24Å; Y329-V333 HydrophobicContact CE1-CG2 3.65Å; Y329-V333 HydrophobicContact CE2-CG2 4.01Å; Y329-V333 VanDerWaalsContact CZ-CG2 3.5Å; Y329-V333 PolarHBondContact O-N 2.89Å; L330-V333 PolarHBondContact O-N 2.92Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 3.26Å; V333-F336 PolarHBondContact O-N 3.29Å; V333-S337 PolarHBondContact O-N 3.27Å; V333-S337 PolarHBondContact O-OG 3.25Å
334K96.3Very high96Very high170 Ų17063.4 Ų63.474%0.73933%0.333SS*.Hα-helixtrans-62.6-35.8179.6-174177.3178.9-1800113.2L330 S331 F332 F336 S337L330-K334 WeakPolarHBondContact O-CB 3.05Å; L330-K334 PolarHBondContact O-N 3.14Å; S331-K334 PolarHBondContact O-N 3.06Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.07Å; K334-F336 PolarHBondContact O-N 3.34Å; K334-S337 PolarHBondContact O-N 3.39Å
335K95.3Very high95.7Very high136 Ų13662.6 Ų62.659%0.59133%0.328SS*.Hα-helixtrans-60.1-28.8177.6-177-174.1176.2-160.60112.9E227 S331 F332 V333E227-K335 IonicContact OE1-NZ 3.12Å; E227-K335 PolarHBondContact OE1-NZ 2.83Å; E227-K335 IonicContact OE2-NZ 2.9Å; E227-K335 PolarHBondContact OE2-NZ 2.61Å; S331-K335 PolarHBondContact O-N 3.33Å; F332-K335 PolarHBondContact O-N 3.25Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 3.26Å
336F90.7Very high95.5Very high78 Ų7867.8 Ų67.834%0.34236%0.356SS..THydrogen-bonded Turntrans-108.610.6-178.9-70-98.1000113.4P223 E227 F332 V333 K334P223-F336 HydrophobicContact CB-CD1 3.85Å; P223-F336 HydrophobicContact CB-CE1 3.53Å; P223-F336 HydrophobicContact CB-CZ 4.14Å; E227-F336 HydrophobicContact CB-CE2 4.15Å; E227-F336 HydrophobicContact CB-CZ 4.27Å; E227-F336 WeakPolarHBondContact OE2-CE2 3.24Å; E227-F336 WeakPolarHBondContact OE2-CZ 3.35Å; F332-F336 VanDerWaalsContact O-CD2 3.32Å; F332-F336 WeakPolarHBondContact O-CD2 2.99Å; V333-F336 PolarHBondContact O-N 3.29Å; K334-F336 PolarHBondContact O-N 3.34Å
337S78.8Confident95.2Very high145 Ų14574 Ų74100%1.01439%0.388SS*.  trans-84.70179.3-62.10000113.1V333 K334V333-S337 PolarHBondContact O-N 3.27Å; V333-S337 PolarHBondContact O-OG 3.25Å; K334-S337 PolarHBondContact O-N 3.39Å

Retrieved 337 of 337 residues in 71.5 ms (Link to these results)

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