Q9GQN9_SCHMA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession Q9GQN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Smad1, Length 455 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
1M36.5Very low43.5Very low241 Ų241132.3 Ų132.3100%1.18778%0.776SS**  0138.90-72.7170.5170.200108.3
2S41.4Very low44Very low125 Ų125136.1 Ų136.187%0.87478%0.776SS**  trans35.879.2160.2-48.70000119.6
3T39.7Very low44.6Very low133 Ų133130.3 Ų130.382%0.81675%0.75SS**  trans-86.1128.1150.543.80000109.4
4P45Very low45.9Very low112 Ų112135.6 Ų135.673%0.72776%0.76SS**  trans-79.4158.9-173.731.3-35.3000114S6P4-S6 PolarHBondContact O-N 3.37Å; P4-S6 VanDerWaalsContact O-N 3.12Å
5I50.7Low47.6Very low150 Ų150128.5 Ų128.577%0.76972%0.721SS**  trans-80.591.5-173.8-57.4163.1000110.4L8I5-L8 HydrophobicContact CG2-CD1 3.97Å; I5-L8 HydrophobicContact CG2-CG 4.39Å
6S47.2Very low50Low93 Ų93122.6 Ų122.665%0.6569%0.691SS**  trans-103.8-21.6173.3-60.20000113.6P4 L8P4-S6 PolarHBondContact O-N 3.37Å; P4-S6 VanDerWaalsContact O-N 3.12Å; S6-L8 PolarHBondContact O-N 3.13Å
7S46.1Very low52.4Low106 Ų106121.4 Ų121.474%0.74169%0.689SS**G310 helixtrans-76.3-18-162.4-390000116
8L43.5Very low54.7Low115 Ų115115 Ų11560%0.60265%0.654SS**G310 helixtrans-84.4-17.8-168.7-69.5173.8000114.7I5 S6 S10 L11I5-L8 HydrophobicContact CG2-CD1 3.97Å; I5-L8 HydrophobicContact CG2-CG 4.39Å; S6-L8 PolarHBondContact O-N 3.13Å; L8-S10 PolarHBondContact O-N 3.12Å; L8-S10 VanDerWaalsContact O-N 3.13Å; L8-L11 HydrophobicContact CD2-CD1 4.08Å
9N39.9Very low56.8Low160 Ų160108.9 Ų108.986%0.85662%0.62SS**G310 helixtrans-73.60.1-177.9-75.3-16.7000114.6
10S46.2Very low58.6Low92 Ų92109.9 Ų109.964%0.64362%0.616SS**G310 helixtrans-84-19.5178.9-170.10000113.9L8 F12L8-S10 PolarHBondContact O-N 3.12Å; L8-S10 VanDerWaalsContact O-N 3.13Å; S10-F12 VanDerWaalsContact C-N 3.32Å; S10-F12 PolarHBondContact O-N 3.04Å; S10-F12 VanDerWaalsContact O-N 3.12Å
11L42.6Very low60.3Low128 Ų128110.7 Ų110.767%0.6761%0.61SS**THydrogen-bonded Turntrans-72.3-9.9-161.3-76.6164.8000116.8L8L8-L11 HydrophobicContact CD2-CD1 4.08Å
12F48.7Very low63.2Low178 Ų17899.2 Ų99.278%0.78155%0.553SS**THydrogen-bonded Turntrans-124.118.1-174.6-69.3-70.2000115.7S10 F14S10-F12 VanDerWaalsContact C-N 3.32Å; S10-F12 PolarHBondContact O-N 3.04Å; S10-F12 VanDerWaalsContact O-N 3.12Å; F12-F14 WeakPolarHBondContact O-CD2 3.45Å; F12-F14 PolarHBondContact O-N 2.83Å
13S51.9Low65.8Low61 Ų6195.3 Ų95.343%0.42752%0.522SS..  trans-69.4103.4170.4-67.40000111.5T15S13-T15 PolarHBondContact O-N 2.9Å; S13-T15 PolarHBondContact O-OG1 3.07Å
14F63.4Low68.4Low205 Ų20592.1 Ų92.190%0.89952%0.516SS*.  trans-71.139.4176.2-87.3-88000113.9F12 S16F12-F14 WeakPolarHBondContact O-CD2 3.45Å; F12-F14 PolarHBondContact O-N 2.83Å; F14-S16 PolarHBondContact O-N 3.25Å
15T71.5Confident70.8Confident28 Ų2890.3 Ų90.317%0.17250%0.495CS..  trans-64.5127.2170.440.30000110.2S13 V19 K20 E36S13-T15 PolarHBondContact O-N 2.9Å; S13-T15 PolarHBondContact O-OG1 3.07Å; T15-V19 HydrophobicContact CG2-CG1 3.98Å; T15-K20 WeakPolarHBondContact O-CE 3.49Å; T15-K20 WeakPolarHBondContact OG1-CE 3.23Å; T15-K20 WeakPolarHBondContact OG1-CG 3.42Å; T15-E36 HydrophobicContact CG2-CG 3.84Å; T15-E36 WeakPolarHBondContact CG2-OE1 3.34Å
16S85.1Confident72.8Confident34 Ų3485.3 Ų85.324%0.23847%0.468CS..  trans-62.5152.7-178.477.20000111.4F14 A18 V19 K20F14-S16 PolarHBondContact O-N 3.25Å; S16-A18 PolarHBondContact O-N 3.44Å; S16-A18 VanDerWaalsContact O-N 3.07Å; S16-V19 WeakPolarHBondContact O-CA 2.93Å; S16-V19 WeakPolarHBondContact O-CB 3.41Å; S16-V19 PolarHBondContact O-N 2.97Å; S16-K20 PolarHBondContact O-N 3.38Å
17P91.8Very high75Confident102 Ų10285 Ų8566%0.66246%0.456SS*.Hα-helixtrans-54.8-32.7-177.1-29.336.2000114.5K20 R21P17-K20 PolarHBondContact O-N 3.46Å; P17-R21 WeakPolarHBondContact O-CG 3.4Å; P17-R21 PolarHBondContact O-N 2.95Å
18A93.3Very high76.9Confident7 Ų781.9 Ų81.96%0.05844%0.441CS..Hα-helixtrans-65.2-38.517300000113S16 L22 V43 L53S16-A18 PolarHBondContact O-N 3.44Å; S16-A18 VanDerWaalsContact O-N 3.07Å; A18-L22 WeakPolarHBondContact O-CB 3.33Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.92Å; A18-V43 HydrophobicContact CB-CG1 3.96Å; A18-V43 HydrophobicContact CB-CG2 4.21Å; A18-L53 HydrophobicContact CB-CD1 4.41Å; A18-L53 HydrophobicContact CB-CD2 3.82Å
19V94.8Very high78.6Confident0 Ų083.8 Ų83.80%045%0.451CS..Hα-helixtrans-67.9-44.5175.2174.50000110.2T15 S16 R21 L22 L23 V39 D40 V43T15-V19 HydrophobicContact CG2-CG1 3.98Å; S16-V19 WeakPolarHBondContact O-CA 2.93Å; S16-V19 WeakPolarHBondContact O-CB 3.41Å; S16-V19 PolarHBondContact O-N 2.97Å; V19-R21 PolarHBondContact O-N 2.69Å; V19-L22 PolarHBondContact O-N 3.13Å; V19-L23 HydrophobicContact CG1-CD1 3.73Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.46Å; V19-V39 HydrophobicContact CB-CG1 4.35Å; V19-V39 HydrophobicContact CG1-CB 4.46Å; V19-V39 HydrophobicContact CG1-CG1 4.03Å; V19-V39 HydrophobicContact CG2-CG1 4.4Å; V19-D40 HydrophobicContact CG2-CB 4.1Å; V19-V43 HydrophobicContact CG2-CB 4.04Å; V19-V43 HydrophobicContact CG2-CG1 4.37Å; V19-V43 HydrophobicContact CG2-CG2 3.8Å
20K93.4Very high79.9Confident128 Ų12884.2 Ų84.256%0.55745%0.448SS*.Hα-helixtrans-59.8-42.9176.1-66.6-167.2177.3-1720112.2T15 S16 P17 G24T15-K20 WeakPolarHBondContact O-CE 3.49Å; T15-K20 WeakPolarHBondContact OG1-CE 3.23Å; T15-K20 WeakPolarHBondContact OG1-CG 3.42Å; S16-K20 PolarHBondContact O-N 3.38Å; P17-K20 PolarHBondContact O-N 3.46Å; K20-G24 PolarHBondContact O-N 3.14Å
21R94.5Very high81.6Confident126 Ų12683.4 Ų83.448%0.47543%0.434SS..Hα-helixtrans-63.3-52.4174.5-71.9-175.7-58.5149.59.7111.8P17 V19 L23 G24 W25 E57P17-R21 WeakPolarHBondContact O-CG 3.4Å; P17-R21 PolarHBondContact O-N 2.95Å; V19-R21 PolarHBondContact O-N 2.69Å; R21-L23 VanDerWaalsContact C-N 3.25Å; R21-L23 PolarHBondContact O-N 2.65Å; R21-G24 WeakPolarHBondContact O-CA 3.06Å; R21-G24 PolarHBondContact O-N 3.32Å; R21-W25 HydrophobicContact CB-CZ3 4.49Å; R21-W25 VanDerWaalsContact O-CZ3 3.23Å; R21-W25 WeakPolarHBondContact O-CZ3 3.36Å; R21-E57 VanDerWaalsContact CZ-CD 3.43Å; R21-E57 IonicContact CZ-OE1 2.81Å; R21-E57 IonicContact CZ-OE2 3.46Å; R21-E57 IonicContact NE-OE1 3.69Å; R21-E57 IonicContact NH1-OE1 3.15Å; R21-E57 IonicContact NH1-OE2 2.98Å; R21-E57 PolarHBondContact NH1-OE2 3.32Å; R21-E57 IonicContact NH2-OE1 3.4Å; R21-E57 PolarHBondContact NH2-OE1 3.23Å; R21-E57 IonicContact NH2-OE2 3.93Å; R21-E57 PolarHBondContact NH2-OE2 2.91Å
22L96.7Very high83.6Confident0 Ų083.7 Ų83.70%043%0.432CS..Hα-helixtrans-62.3-28.3-179.2-75.1179.9000114A18 V19 G24 W25 V39 V43 L53 L56 E57 L60 W97A18-L22 WeakPolarHBondContact O-CB 3.33Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.92Å; V19-L22 PolarHBondContact O-N 3.13Å; L22-G24 VanDerWaalsContact C-N 3.31Å; L22-W25 HydrophobicContact CD2-CE3 4.44Å; L22-W25 HydrophobicContact CD2-CZ3 4.17Å; L22-V39 HydrophobicContact CB-CG1 3.5Å; L22-V39 VanDerWaalsContact CB-CG1 3.5Å; L22-V39 HydrophobicContact CD1-CG1 3.95Å; L22-V39 HydrophobicContact CG-CG1 4.41Å; L22-V43 HydrophobicContact CD1-CG2 3.58Å; L22-L53 HydrophobicContact CD1-CD1 3.8Å; L22-L53 HydrophobicContact CG-CD1 4.41Å; L22-L56 HydrophobicContact CD1-CD2 4.04Å; L22-L56 HydrophobicContact CD2-CD2 3.77Å; L22-L56 HydrophobicContact CD2-CG 3.95Å; L22-E57 HydrophobicContact CD2-CG 3.84Å; L22-L60 HydrophobicContact CD2-CD1 3.52Å; L22-W97 HydrophobicContact CB-CZ2 4.22Å; L22-W97 HydrophobicContact CD2-CZ2 4.3Å; L22-W97 PolarHBondContact O-NE1 3.15Å
23L95.3Very high85.5Confident43 Ų4382.5 Ų82.523%0.22543%0.427CS..Hα-helixtrans-74.4-18171.9-71.4168.7000113.3V19 R21 W25 K26 A35 E36 V39V19-L23 HydrophobicContact CG1-CD1 3.73Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.46Å; R21-L23 VanDerWaalsContact C-N 3.25Å; R21-L23 PolarHBondContact O-N 2.65Å; L23-W25 PolarHBondContact O-N 2.93Å; L23-K26 HydrophobicContact CD2-CD 4.45Å; L23-K26 WeakPolarHBondContact O-CB 3.37Å; L23-K26 PolarHBondContact O-N 3.48Å; L23-A35 HydrophobicContact CD2-CB 4.37Å; L23-E36 HydrophobicContact CD1-CB 4.37Å; L23-E36 HydrophobicContact CD1-CG 4.32Å; L23-V39 HydrophobicContact CD2-CB 4.23Å; L23-V39 HydrophobicContact CD2-CG2 3.86Å; L23-V39 HydrophobicContact CG-CB 4.41Å; L23-V39 HydrophobicContact CG-CG1 4.39Å; L23-V39 HydrophobicContact CG-CG2 4.41Å
24G94.2Very high87.4Confident67 Ų6781.3 Ų81.369%0.69141%0.413SS*.THydrogen-bonded Turntrans-65-16.6175.600000114.5K20 R21 L22K20-G24 PolarHBondContact O-N 3.14Å; R21-G24 WeakPolarHBondContact O-CA 3.06Å; R21-G24 PolarHBondContact O-N 3.32Å; L22-G24 VanDerWaalsContact C-N 3.31Å
25W95.1Very high88.9Confident74 Ų7471.7 Ų71.728%0.2837%0.371SS..THydrogen-bonded Turntrans-100.84.7171.9-62-81.2000113.4R21 L22 L23 Q27 E57 L60R21-W25 HydrophobicContact CB-CZ3 4.49Å; R21-W25 VanDerWaalsContact O-CZ3 3.23Å; R21-W25 WeakPolarHBondContact O-CZ3 3.36Å; L22-W25 HydrophobicContact CD2-CE3 4.44Å; L22-W25 HydrophobicContact CD2-CZ3 4.17Å; L23-W25 PolarHBondContact O-N 2.93Å; W25-Q27 PolarHBondContact O-N 3.47Å; W25-Q27 PolarHBondContact O-NE2 3.26Å; W25-E57 HydrophobicContact CH2-CB 4.33Å; W25-E57 HydrophobicContact CH2-CG 4.38Å; W25-E57 HydrophobicContact CZ3-CG 4.3Å; W25-L60 HydrophobicContact CB-CB 4.37Å; W25-L60 HydrophobicContact CB-CD2 4.39Å; W25-L60 VanDerWaalsContact CD1-O 3.31Å; W25-L60 HydrophobicContact CD2-CB 3.56Å; W25-L60 HydrophobicContact CD2-CD1 4.23Å; W25-L60 HydrophobicContact CD2-CG 4.47Å; W25-L60 HydrophobicContact CE3-CB 3.86Å; W25-L60 HydrophobicContact CE3-CD1 3.77Å; W25-L60 HydrophobicContact CE3-CG 4.45Å; W25-L60 HydrophobicContact CG-CB 3.8Å; W25-L60 HydrophobicContact CZ2-CB 4.33Å; W25-L60 HydrophobicContact CZ3-CB 4.36Å; W25-L60 HydrophobicContact CZ3-CD1 4.32Å; W25-L60 PolarHBondContact NE1-O 3.4Å; W25-L60 VanDerWaalsContact NE1-O 3.14Å
26K94.4Very high89.9Confident44 Ų4473 Ų7319%0.19138%0.375CS..  trans-60.5136.6-178.7-166.6-164.48774.80110.1L23 G28 A35 V96L23-K26 HydrophobicContact CD2-CD 4.45Å; L23-K26 WeakPolarHBondContact O-CB 3.37Å; L23-K26 PolarHBondContact O-N 3.48Å; K26-G28 VanDerWaalsContact CE-O 3.26Å; K26-G28 WeakPolarHBondContact CE-O 3.45Å; K26-G28 PolarHBondContact NZ-O 3.45Å; K26-A35 HydrophobicContact CD-CB 3.63Å; K26-A35 HydrophobicContact CG-CB 4.24Å; K26-V96 CarbonylContact C-O 3.55Å; K26-V96 WeakPolarHBondContact CA-O 3.33Å; K26-V96 HydrophobicContact CG-CG1 4.28Å
27Q92.7Very high90.3Very high87 Ų8776 Ų7641%0.40738%0.384SS..  trans-96.3150.1175.9-59.3-55.8-54.100111.7W25 V96 W97 P100W25-Q27 PolarHBondContact O-N 3.47Å; W25-Q27 PolarHBondContact O-NE2 3.26Å; Q27-V96 PolarHBondContact N-O 3.37Å; Q27-W97 VanDerWaalsContact CG-C 3.43Å; Q27-W97 VanDerWaalsContact CG-O 3.31Å; Q27-W97 WeakPolarHBondContact CG-O 3.16Å; Q27-P100 VanDerWaalsContact C-CG 3.41Å; Q27-P100 HydrophobicContact CB-CG 3.44Å; Q27-P100 VanDerWaalsContact CB-CG 3.44Å; Q27-P100 WeakPolarHBondContact O-CG 3.34Å
28G86.6Confident90.5Very high41 Ų4171.2 Ų71.242%0.42335%0.353SS..SBendtrans60.9-179.7-176.200000114.2K26K26-G28 VanDerWaalsContact CE-O 3.26Å; K26-G28 WeakPolarHBondContact CE-O 3.45Å; K26-G28 PolarHBondContact NZ-O 3.45Å
29D77.8Confident90.7Very high154 Ų15470.9 Ų70.982%0.82435%0.35SS*.SBendtrans-109.5-21.9176.7-64.1-51.3000113.3
30E68.8Low90.7Very high169 Ų16973.2 Ų73.279%0.7936%0.363SS*.THydrogen-bonded Turntrans-62.1147.5-177.8-60.4-164.9142.700112.7E32E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 3.15Å
31E80.7Confident90.6Very high75 Ų7568.6 Ų68.635%0.3535%0.347SS..THydrogen-bonded Turntrans51.736.3176.3-49.1-156.8125.700116.5K33 W34 A35 R85E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 PolarHBondContact O-N 3.06Å; E31-K33 VanDerWaalsContact O-N 3.15Å; E31-W34 HydrophobicContact CB-CB 4.02Å; E31-W34 WeakPolarHBondContact O-CA 3.29Å; E31-W34 WeakPolarHBondContact O-CB 3.42Å; E31-W34 PolarHBondContact O-N 2.86Å; E31-A35 PolarHBondContact O-N 2.68Å; E31-A35 VanDerWaalsContact O-N 3.1Å; E31-R85 IonicContact OE1-CZ 3.46Å; E31-R85 IonicContact OE1-NH1 2.86Å; E31-R85 PolarHBondContact OE1-NH1 3.07Å; E31-R85 IonicContact OE1-NH2 3.03Å; E31-R85 PolarHBondContact OE1-NH2 3.03Å; E31-R85 IonicContact OE2-CZ 3.76Å; E31-R85 IonicContact OE2-NH1 2.7Å; E31-R85 PolarHBondContact OE2-NH1 2.98Å; E31-R85 IonicContact OE2-NH2 2.66Å
32E84.1Confident90.7Very high135 Ų13562.6 Ų62.663%0.63132%0.324SS*.Hα-helixtrans-41.3-51.8175.1-174.1-169-154.700113.4E30 W34 A35 E36E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 3.15Å; E32-W34 PolarHBondContact O-N 3.46Å; E32-A35 PolarHBondContact O-N 3.12Å; E32-A35 VanDerWaalsContact O-N 3.11Å; E32-E36 WeakPolarHBondContact O-CB 3.27Å; E32-E36 PolarHBondContact O-N 2.99Å
33K89.9Confident90.7Very high153 Ų15362.7 Ų62.767%0.66533%0.325SS*.Hα-helixtrans-64.3-17.3179.2-66.8179.5-179.81740114.8E31 K37E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 PolarHBondContact O-N 3.06Å; E31-K33 VanDerWaalsContact O-N 3.15Å; K33-K37 VanDerWaalsContact O-CD 3.26Å; K33-K37 WeakPolarHBondContact O-CD 3.38Å; K33-K37 VanDerWaalsContact O-CG 3.32Å; K33-K37 WeakPolarHBondContact O-CG 3.37Å
34W92Very high90.7Very high35 Ų3566.7 Ų66.713%0.13334%0.34CS..Hα-helixtrans-85.7-44.2171.2171.888.7000110.4E31 E32 E36 K37 A38 V82 I92 V96E31-W34 HydrophobicContact CB-CB 4.02Å; E31-W34 WeakPolarHBondContact O-CA 3.29Å; E31-W34 WeakPolarHBondContact O-CB 3.42Å; E31-W34 PolarHBondContact O-N 2.86Å; E32-W34 PolarHBondContact O-N 3.46Å; W34-E36 PolarHBondContact O-N 3.21Å; W34-K37 PolarHBondContact O-N 3.36Å; W34-A38 PolarHBondContact O-N 2.87Å; W34-V82 HydrophobicContact CG-CG1 4.41Å; W34-I92 HydrophobicContact CH2-CB 4.44Å; W34-I92 HydrophobicContact CH2-CG2 3.88Å; W34-I92 HydrophobicContact CZ2-CB 4.48Å; W34-I92 HydrophobicContact CZ2-CG1 4.2Å; W34-I92 HydrophobicContact CZ2-CG2 3.93Å; W34-V96 HydrophobicContact CH2-CG2 4.16Å; W34-V96 HydrophobicContact CZ3-CG2 3.72Å
35A93.5Very high90.7Very high3 Ų367 Ų673%0.02532%0.322CS..Hα-helixtrans-62.7-42177.100000112.1L23 K26 E31 E32 K37 A38 V39 V96L23-A35 HydrophobicContact CD2-CB 4.37Å; K26-A35 HydrophobicContact CD-CB 3.63Å; K26-A35 HydrophobicContact CG-CB 4.24Å; E31-A35 PolarHBondContact O-N 2.68Å; E31-A35 VanDerWaalsContact O-N 3.1Å; E32-A35 PolarHBondContact O-N 3.12Å; E32-A35 VanDerWaalsContact O-N 3.11Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 2.96Å; A35-A38 WeakPolarHBondContact O-CB 3.36Å; A35-A38 PolarHBondContact O-N 3.49Å; A35-A38 VanDerWaalsContact O-N 3.11Å; A35-V39 WeakPolarHBondContact O-CG2 3.39Å; A35-V39 PolarHBondContact O-N 3.37Å; A35-V96 HydrophobicContact CB-CG2 4.25Å
36E94Very high90.7Very high55 Ų5563.5 Ų63.526%0.25731%0.309SS..Hα-helixtrans-52.5-49172.7-175.2-170.4-168.900111.4T15 L23 E32 W34 V39 D40T15-E36 HydrophobicContact CG2-CG 3.84Å; T15-E36 WeakPolarHBondContact CG2-OE1 3.34Å; L23-E36 HydrophobicContact CD1-CB 4.37Å; L23-E36 HydrophobicContact CD1-CG 4.32Å; E32-E36 WeakPolarHBondContact O-CB 3.27Å; E32-E36 PolarHBondContact O-N 2.99Å; W34-E36 PolarHBondContact O-N 3.21Å; E36-V39 PolarHBondContact O-N 2.94Å; E36-D40 WeakPolarHBondContact O-CB 3.46Å; E36-D40 PolarHBondContact O-N 2.87Å
37K93.8Very high90.7Very high99 Ų9967.9 Ų67.943%0.4333%0.328SS..Hα-helixtrans-69-33.1177.5-68.3172.3-176.8169.50112.9K33 W34 A35 S41 V82 S83K33-K37 VanDerWaalsContact O-CD 3.26Å; K33-K37 WeakPolarHBondContact O-CD 3.38Å; K33-K37 VanDerWaalsContact O-CG 3.32Å; K33-K37 WeakPolarHBondContact O-CG 3.37Å; W34-K37 PolarHBondContact O-N 3.36Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 2.96Å; K37-S41 WeakPolarHBondContact O-CB 3.11Å; K37-S41 PolarHBondContact O-N 2.99Å; K37-S41 VanDerWaalsContact O-N 3.07Å; K37-V82 HydrophobicContact CB-CG1 4.01Å; K37-S83 PolarHBondContact NZ-OG 2.91Å
38A95.2Very high90.8Very high0 Ų072.6 Ų72.60%035%0.348CS..Hα-helixtrans-65.8-45.4175.500000111.3W34 A35 L42 V82 I92 Y93 V96W34-A38 PolarHBondContact O-N 2.87Å; A35-A38 WeakPolarHBondContact O-CB 3.36Å; A35-A38 PolarHBondContact O-N 3.49Å; A35-A38 VanDerWaalsContact O-N 3.11Å; A38-L42 PolarHBondContact O-N 3.18Å; A38-V82 HydrophobicContact CB-CG1 3.96Å; A38-V82 HydrophobicContact CB-CG2 4.28Å; A38-I92 HydrophobicContact CB-CG2 4.02Å; A38-Y93 HydrophobicContact CB-CE1 4.39Å; A38-Y93 PolarHBondContact O-OH 3.12Å; A38-Y93 VanDerWaalsContact O-OH 3.11Å; A38-V96 HydrophobicContact CB-CG2 4.37Å
39V96.4Very high91.1Very high0 Ų074.7 Ų74.70%035%0.345CS..Hα-helixtrans-72.2-41.2-179.6175.40000111.4V19 L22 L23 A35 E36 L42 V43 V96 W97V19-V39 HydrophobicContact CB-CG1 4.35Å; V19-V39 HydrophobicContact CG1-CB 4.46Å; V19-V39 HydrophobicContact CG1-CG1 4.03Å; V19-V39 HydrophobicContact CG2-CG1 4.4Å; L22-V39 HydrophobicContact CB-CG1 3.5Å; L22-V39 VanDerWaalsContact CB-CG1 3.5Å; L22-V39 HydrophobicContact CD1-CG1 3.95Å; L22-V39 HydrophobicContact CG-CG1 4.41Å; L23-V39 HydrophobicContact CD2-CB 4.23Å; L23-V39 HydrophobicContact CD2-CG2 3.86Å; L23-V39 HydrophobicContact CG-CB 4.41Å; L23-V39 HydrophobicContact CG-CG1 4.39Å; L23-V39 HydrophobicContact CG-CG2 4.41Å; A35-V39 WeakPolarHBondContact O-CG2 3.39Å; A35-V39 PolarHBondContact O-N 3.37Å; E36-V39 PolarHBondContact O-N 2.94Å; V39-L42 WeakPolarHBondContact O-CB 3.45Å; V39-L42 PolarHBondContact O-N 3.39Å; V39-V43 HydrophobicContact CG1-CG2 4.38Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.95Å; V39-V96 HydrophobicContact CG2-CG1 4.04Å; V39-W97 HydrophobicContact CG2-CZ2 4Å
40D94.9Very high91.8Very high50 Ų5077.7 Ų77.727%0.26735%0.351SS..Hα-helixtrans-60.5-45.4172.4169.572.1000112.4V19 E36 L42 V43 K44V19-D40 HydrophobicContact CG2-CB 4.1Å; E36-D40 WeakPolarHBondContact O-CB 3.46Å; E36-D40 PolarHBondContact O-N 2.87Å; D40-L42 VanDerWaalsContact C-N 3.25Å; D40-L42 PolarHBondContact O-N 2.86Å; D40-V43 PolarHBondContact O-N 3.46Å; D40-K44 WeakPolarHBondContact O-CG 3.03Å; D40-K44 PolarHBondContact O-N 3.5Å; D40-K44 VanDerWaalsContact O-N 3.1Å; D40-K44 WeakPolarHBondContact OD1-CE 3.26Å; D40-K44 IonicContact OD1-NZ 3.64Å; D40-K44 PolarHBondContact OD1-NZ 3Å; D40-K44 WeakPolarHBondContact OD2-CE 3.47Å; D40-K44 IonicContact OD2-NZ 2.65Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å
41S93.2Very high93.1Very high31 Ų3171.3 Ų71.322%0.21733%0.33CS..Hα-helixtrans-59.6-35.8173.9-173.30000112.2K37 K45K37-S41 WeakPolarHBondContact O-CB 3.11Å; K37-S41 PolarHBondContact O-N 2.99Å; K37-S41 VanDerWaalsContact O-N 3.07Å; S41-K45 WeakPolarHBondContact O-CG 3.43Å
42L96.5Very high93.9Very high0 Ų068.1 Ų68.10%032%0.317CS..Hα-helixtrans-70.8-48.7174.8-174.363.5000112.8A38 V39 D40 K44 K45 L46 L56 I72 Y93 W97 I127A38-L42 PolarHBondContact O-N 3.18Å; V39-L42 WeakPolarHBondContact O-CB 3.45Å; V39-L42 PolarHBondContact O-N 3.39Å; D40-L42 VanDerWaalsContact C-N 3.25Å; D40-L42 PolarHBondContact O-N 2.86Å; L42-K44 PolarHBondContact O-N 3.47Å; L42-K45 CarbonylContact O-C 3.57Å; L42-K45 WeakPolarHBondContact O-CA 3.37Å; L42-K45 WeakPolarHBondContact O-CB 3.23Å; L42-K45 PolarHBondContact O-N 2.97Å; L42-L46 HydrophobicContact CD1-CD1 4.07Å; L42-L46 HydrophobicContact CD1-CD2 4.16Å; L42-L46 HydrophobicContact CD1-CG 3.86Å; L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CG-CD1 3.67Å; L42-L46 HydrophobicContact CG-CG 3.85Å; L42-L46 PolarHBondContact O-N 3.21Å; L42-L56 HydrophobicContact CD2-CD2 3.72Å; L42-I72 HydrophobicContact CD1-CG2 3.6Å; L42-Y93 HydrophobicContact CB-CE1 3.8Å; L42-Y93 WeakPolarHBondContact CB-OH 3.19Å; L42-Y93 HydrophobicContact CD1-CE1 4.43Å; L42-Y93 HydrophobicContact CD1-CE2 4.01Å; L42-Y93 HydrophobicContact CD2-CD1 4Å; L42-Y93 HydrophobicContact CD2-CE1 3.8Å; L42-Y93 HydrophobicContact CG-CE1 4.21Å; L42-W97 HydrophobicContact CD2-CH2 3.53Å; L42-W97 HydrophobicContact CD2-CZ3 4.17Å; L42-I127 HydrophobicContact CD1-CD1 4.1Å; L42-I127 HydrophobicContact CD1-CG1 4.04Å; L42-I127 HydrophobicContact CD2-CD1 3.91Å
43V96.4Very high94.4Very high2 Ų262.4 Ų62.41%0.01229%0.29CS..Hα-helixtrans-58-36.9-179168.30000110.6A18 V19 L22 V39 D40 K45 K47 L53A18-V43 HydrophobicContact CB-CG1 3.96Å; A18-V43 HydrophobicContact CB-CG2 4.21Å; V19-V43 HydrophobicContact CG2-CB 4.04Å; V19-V43 HydrophobicContact CG2-CG1 4.37Å; V19-V43 HydrophobicContact CG2-CG2 3.8Å; L22-V43 HydrophobicContact CD1-CG2 3.58Å; V39-V43 HydrophobicContact CG1-CG2 4.38Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.95Å; D40-V43 PolarHBondContact O-N 3.46Å; V43-K45 PolarHBondContact O-N 3.08Å; V43-K47 HydrophobicContact CG1-CD 3.95Å; V43-K47 HydrophobicContact CG1-CG 4.32Å; V43-K47 WeakPolarHBondContact O-CB 3.39Å; V43-K47 VanDerWaalsContact O-CG 3.27Å; V43-K47 WeakPolarHBondContact O-CG 3.08Å; V43-K47 PolarHBondContact O-N 3.32Å; V43-L53 HydrophobicContact CG2-CD1 4.39Å
44K93.8Very high94.8Very high126 Ų12660.4 Ų60.455%0.54828%0.283SS..Hα-helixtrans-65.6-21.2173.3-72.2166.7178166.80114.2D40 L42D40-K44 WeakPolarHBondContact O-CG 3.03Å; D40-K44 PolarHBondContact O-N 3.5Å; D40-K44 VanDerWaalsContact O-N 3.1Å; D40-K44 WeakPolarHBondContact OD1-CE 3.26Å; D40-K44 IonicContact OD1-NZ 3.64Å; D40-K44 PolarHBondContact OD1-NZ 3Å; D40-K44 WeakPolarHBondContact OD2-CE 3.47Å; D40-K44 IonicContact OD2-NZ 2.65Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å; L42-K44 PolarHBondContact O-N 3.47Å
45K94.3Very high95Very high73 Ų7359.2 Ų59.232%0.31728%0.281SS..Hα-helixtrans-89.3-50.7172.4-66.3165-177.5-75.10111.5S41 L42 V43 K47 K48 I72S41-K45 WeakPolarHBondContact O-CG 3.43Å; L42-K45 CarbonylContact O-C 3.57Å; L42-K45 WeakPolarHBondContact O-CA 3.37Å; L42-K45 WeakPolarHBondContact O-CB 3.23Å; L42-K45 PolarHBondContact O-N 2.97Å; V43-K45 PolarHBondContact O-N 3.08Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.15Å; K45-K48 WeakPolarHBondContact O-CB 3.47Å; K45-K48 PolarHBondContact O-N 2.63Å; K45-I72 HydrophobicContact CB-CG2 4.11Å; K45-I72 HydrophobicContact CD-CB 4.41Å; K45-I72 HydrophobicContact CD-CD1 4.12Å; K45-I72 HydrophobicContact CD-CG2 4.18Å
46L96.3Very high95.2Very high1 Ų159.1 Ų59.11%0.00528%0.28CS..Hα-helixtrans-63.6-33.3-176.5-63.2-178.7000112.7L42 K48 K49 A52 L53 L56 V70 I72L42-L46 HydrophobicContact CD1-CD1 4.07Å; L42-L46 HydrophobicContact CD1-CD2 4.16Å; L42-L46 HydrophobicContact CD1-CG 3.86Å; L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CG-CD1 3.67Å; L42-L46 HydrophobicContact CG-CG 3.85Å; L42-L46 PolarHBondContact O-N 3.21Å; L46-K48 PolarHBondContact O-N 3.23Å; L46-K49 PolarHBondContact O-N 2.76Å; L46-K49 VanDerWaalsContact O-O 3.09Å; L46-A52 HydrophobicContact CD2-CB 4.06Å; L46-L53 HydrophobicContact CB-CB 4.39Å; L46-L53 HydrophobicContact CD1-CD1 4.49Å; L46-L56 HydrophobicContact CD1-CB 4.38Å; L46-L56 HydrophobicContact CD1-CD2 3.58Å; L46-V70 HydrophobicContact CD1-CG1 4.13Å; L46-V70 HydrophobicContact CD2-CG1 3.64Å; L46-I72 HydrophobicContact CD2-CG2 4.17Å
47K94.3Very high95.3Very high137 Ų13757.6 Ų57.660%0.59627%0.273SS*.THydrogen-bonded Turntrans-58.2-10.7172-78.7178174.2-1790114.8V43 K45V43-K47 HydrophobicContact CG1-CD 3.95Å; V43-K47 HydrophobicContact CG1-CG 4.32Å; V43-K47 WeakPolarHBondContact O-CB 3.39Å; V43-K47 VanDerWaalsContact O-CG 3.27Å; V43-K47 WeakPolarHBondContact O-CG 3.08Å; V43-K47 PolarHBondContact O-N 3.32Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.15Å
48K93.7Very high95.5Very high186 Ų18658.1 Ų58.181%0.80927%0.272SS*.THydrogen-bonded Turntrans-90.1-11.7173.5-55.8-171.6177.6-168.10113.9K45 L46K45-K48 WeakPolarHBondContact O-CB 3.47Å; K45-K48 PolarHBondContact O-N 2.63Å; L46-K48 PolarHBondContact O-N 3.23Å
49K93.3Very high95.6Very high84 Ų8458.2 Ų58.237%0.36527%0.273SS..SBendtrans-121.5102.7-179.1-167.7171.3-171.3173.20108.8L46 G51 A52 T71 E124L46-K49 PolarHBondContact O-N 2.76Å; L46-K49 VanDerWaalsContact O-O 3.09Å; K49-G51 PolarHBondContact O-N 3.11Å; K49-A52 HydrophobicContact CB-CB 3.85Å; K49-A52 HydrophobicContact CD-CB 4.33Å; K49-A52 HydrophobicContact CG-CB 4.05Å; K49-A52 WeakPolarHBondContact O-CB 3.44Å; K49-A52 PolarHBondContact O-N 3.18Å; K49-T71 PolarHBondContact NZ-OG1 3.37Å; K49-E124 IonicContact NZ-OE1 2.68Å; K49-E124 PolarHBondContact NZ-OE1 2.87Å; K49-E124 IonicContact NZ-OE2 3.53Å; K49-E124 PolarHBondContact NZ-OE2 3.5Å
50K93.7Very high95.6Very high218 Ų21858.3 Ų58.395%0.94827%0.274SS*.THydrogen-bonded Turntrans-52128.3-176.5-176.2-177.7178.5-175.90110.7A52K50-A52 VanDerWaalsContact C-N 3.31Å; K50-A52 PolarHBondContact O-N 2.92Å
51G95.3Very high95.7Very high35 Ų3558.7 Ų58.736%0.36128%0.28SS..THydrogen-bonded Turntrans85-11.8-178.900000115.2K49 L53 E54 A55K49-G51 PolarHBondContact O-N 3.11Å; G51-L53 PolarHBondContact O-N 3.46Å; G51-E54 WeakPolarHBondContact CA-OE2 3.31Å; G51-E54 PolarHBondContact N-OE2 3.48Å; G51-E54 PolarHBondContact O-N 2.66Å; G51-A55 VanDerWaalsContact O-CB 3.23Å; G51-A55 WeakPolarHBondContact O-CB 3.38Å; G51-A55 PolarHBondContact O-N 3.11Å
52A96.7Very high95.9Very high8 Ų859.9 Ų59.97%0.06628%0.284CS..Hα-helixtrans-76.3-23.3-173.700000113.9L46 K49 K50 L56 V70L46-A52 HydrophobicContact CD2-CB 4.06Å; K49-A52 HydrophobicContact CB-CB 3.85Å; K49-A52 HydrophobicContact CD-CB 4.33Å; K49-A52 HydrophobicContact CG-CB 4.05Å; K49-A52 WeakPolarHBondContact O-CB 3.44Å; K49-A52 PolarHBondContact O-N 3.18Å; K50-A52 VanDerWaalsContact C-N 3.31Å; K50-A52 PolarHBondContact O-N 2.92Å; A52-L56 PolarHBondContact O-N 2.9Å; A52-V70 WeakPolarHBondContact O-CG1 3.45Å
53L96.5Very high95.7Very high14 Ų1464.1 Ų64.17%0.07331%0.311CS..Hα-helixtrans-76.6-43.7172.6177.262.6000110.1A18 L22 V43 L46 G51 L56 E57A18-L53 HydrophobicContact CB-CD1 4.41Å; A18-L53 HydrophobicContact CB-CD2 3.82Å; L22-L53 HydrophobicContact CD1-CD1 3.8Å; L22-L53 HydrophobicContact CG-CD1 4.41Å; V43-L53 HydrophobicContact CG2-CD1 4.39Å; L46-L53 HydrophobicContact CB-CB 4.39Å; L46-L53 HydrophobicContact CD1-CD1 4.49Å; G51-L53 PolarHBondContact O-N 3.46Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.18Å; L53-E57 WeakPolarHBondContact O-CG 3.36Å; L53-E57 PolarHBondContact O-N 3.34Å
54E96.4Very high95.4Very high111 Ų11167.7 Ų67.752%0.51935%0.348SS..Hα-helixtrans-65.8-39.5179.2-59.773.4-164.300111G51 L56 E57 R58G51-E54 WeakPolarHBondContact CA-OE2 3.31Å; G51-E54 PolarHBondContact N-OE2 3.48Å; G51-E54 PolarHBondContact O-N 2.66Å; E54-L56 VanDerWaalsContact C-N 3.32Å; E54-L56 PolarHBondContact O-N 3.03Å; E54-E57 PolarHBondContact O-N 2.91Å; E54-R58 WeakPolarHBondContact O-CB 3.36Å; E54-R58 PolarHBondContact O-N 3.19Å
55A97.1Very high95.4Very high11 Ų1167.4 Ų67.49%0.09135%0.349CS..Hα-helixtrans-64.8-33.6173.100000112.8G51 A59 V70G51-A55 VanDerWaalsContact O-CB 3.23Å; G51-A55 WeakPolarHBondContact O-CB 3.38Å; G51-A55 PolarHBondContact O-N 3.11Å; A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 3.34Å; A55-A59 VanDerWaalsContact O-N 3.08Å; A55-V70 HydrophobicContact CB-CG2 4.01Å
56L97.8Very high95.4Very high0 Ų070.2 Ų70.20%038%0.375CS..Hα-helixtrans-72.6-45.2175.6-178.260.5000111.3L22 L42 L46 A52 L53 E54 R58 A59 L60 V70 W97 I127L22-L56 HydrophobicContact CD1-CD2 4.04Å; L22-L56 HydrophobicContact CD2-CD2 3.77Å; L22-L56 HydrophobicContact CD2-CG 3.95Å; L42-L56 HydrophobicContact CD2-CD2 3.72Å; L46-L56 HydrophobicContact CD1-CB 4.38Å; L46-L56 HydrophobicContact CD1-CD2 3.58Å; A52-L56 PolarHBondContact O-N 2.9Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.18Å; E54-L56 VanDerWaalsContact C-N 3.32Å; E54-L56 PolarHBondContact O-N 3.03Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.06Å; L56-A59 PolarHBondContact O-N 3.02Å; L56-A59 VanDerWaalsContact O-N 3.12Å; L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.22Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 HydrophobicContact CG-CG 4.45Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 2.83Å; L56-V70 HydrophobicContact CB-CG1 4.1Å; L56-V70 HydrophobicContact CB-CG2 3.96Å; L56-V70 HydrophobicContact CD1-CG2 4.39Å; L56-W97 HydrophobicContact CD1-CH2 4.44Å; L56-W97 HydrophobicContact CD1-CZ3 4.13Å; L56-W97 HydrophobicContact CD2-CH2 3.71Å; L56-W97 HydrophobicContact CD2-CZ2 4.41Å; L56-W97 HydrophobicContact CD2-CZ3 4.17Å; L56-I127 HydrophobicContact CD1-CD1 4.15Å; L56-I127 HydrophobicContact CD2-CD1 4.22Å
57E96.9Very high95.4Very high23 Ų2371.3 Ų71.311%0.10738%0.382CS..Hα-helixtrans-61.3-41.5177.2-71.1173.5-179.700110.8R21 L22 W25 L53 E54 A59 L60 S61R21-E57 VanDerWaalsContact CZ-CD 3.43Å; R21-E57 IonicContact CZ-OE1 2.81Å; R21-E57 IonicContact CZ-OE2 3.46Å; R21-E57 IonicContact NE-OE1 3.69Å; R21-E57 IonicContact NH1-OE1 3.15Å; R21-E57 IonicContact NH1-OE2 2.98Å; R21-E57 PolarHBondContact NH1-OE2 3.32Å; R21-E57 IonicContact NH2-OE1 3.4Å; R21-E57 PolarHBondContact NH2-OE1 3.23Å; R21-E57 IonicContact NH2-OE2 3.93Å; R21-E57 PolarHBondContact NH2-OE2 2.91Å; L22-E57 HydrophobicContact CD2-CG 3.84Å; W25-E57 HydrophobicContact CH2-CB 4.33Å; W25-E57 HydrophobicContact CH2-CG 4.38Å; W25-E57 HydrophobicContact CZ3-CG 4.3Å; L53-E57 WeakPolarHBondContact O-CG 3.36Å; L53-E57 PolarHBondContact O-N 3.34Å; E54-E57 PolarHBondContact O-N 2.91Å; E57-A59 PolarHBondContact O-N 2.85Å; E57-L60 PolarHBondContact O-N 3.1Å; E57-S61 WeakPolarHBondContact O-CB 3.4Å; E57-S61 PolarHBondContact O-N 3.01Å; E57-S61 PolarHBondContact O-OG 2.95Å; E57-S61 VanDerWaalsContact O-OG 3.13Å
58R96.7Very high95.5Very high111 Ų11170.3 Ų70.342%0.41938%0.38SS..Hα-helixtrans-62.3-37.3171.5-180-17956.4166.7-6.6113.3E54 L56 S61 N62 E68E54-R58 WeakPolarHBondContact O-CB 3.36Å; E54-R58 PolarHBondContact O-N 3.19Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.06Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-OG 2.91Å; R58-N62 PolarHBondContact O-N 3.08Å; R58-N62 PolarHBondContact O-ND2 2.78Å; R58-E68 IonicContact CZ-OE1 3.05Å; R58-E68 IonicContact NH1-OE1 3.13Å; R58-E68 PolarHBondContact NH1-OE1 3.33Å; R58-E68 IonicContact NH2-OE1 2.95Å; R58-E68 PolarHBondContact NH2-OE1 2.84Å; R58-E68 IonicContact NH2-OE2 2.69Å
59A97.3Very high95.6Very high1 Ų162.9 Ų62.91%0.00835%0.351CS..Hα-helixtrans-70.6-40.9177.900000111.7A55 L56 E57 Y130A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 3.34Å; A55-A59 VanDerWaalsContact O-N 3.08Å; L56-A59 PolarHBondContact O-N 3.02Å; L56-A59 VanDerWaalsContact O-N 3.12Å; E57-A59 PolarHBondContact O-N 2.85Å; A59-Y130 HydrophobicContact CB-CD2 4.4Å; A59-Y130 WeakPolarHBondContact O-CD2 3.33Å; A59-Y130 WeakPolarHBondContact O-CE2 3.23Å
60L97.4Very high95.8Very high3 Ų359 Ų592%0.01633%0.334CS..Hα-helixtrans-71.9-32177.6-66.6169.9000113L22 W25 L56 E57 W97 P129 Y130L22-L60 HydrophobicContact CD2-CD1 3.52Å; W25-L60 HydrophobicContact CB-CB 4.37Å; W25-L60 HydrophobicContact CB-CD2 4.39Å; W25-L60 VanDerWaalsContact CD1-O 3.31Å; W25-L60 HydrophobicContact CD2-CB 3.56Å; W25-L60 HydrophobicContact CD2-CD1 4.23Å; W25-L60 HydrophobicContact CD2-CG 4.47Å; W25-L60 HydrophobicContact CE3-CB 3.86Å; W25-L60 HydrophobicContact CE3-CD1 3.77Å; W25-L60 HydrophobicContact CE3-CG 4.45Å; W25-L60 HydrophobicContact CG-CB 3.8Å; W25-L60 HydrophobicContact CZ2-CB 4.33Å; W25-L60 HydrophobicContact CZ3-CB 4.36Å; W25-L60 HydrophobicContact CZ3-CD1 4.32Å; W25-L60 PolarHBondContact NE1-O 3.4Å; W25-L60 VanDerWaalsContact NE1-O 3.14Å; L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.22Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 HydrophobicContact CG-CG 4.45Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 2.83Å; E57-L60 PolarHBondContact O-N 3.1Å; L60-W97 HydrophobicContact CD1-CD2 4.05Å; L60-W97 HydrophobicContact CD1-CG 4.4Å; L60-W97 HydrophobicContact CD1-CZ2 4.09Å; L60-W97 HydrophobicContact CD2-CB 3.77Å; L60-W97 HydrophobicContact CD2-CD2 3.77Å; L60-W97 HydrophobicContact CD2-CE3 4.2Å; L60-W97 HydrophobicContact CD2-CG 3.55Å; L60-P129 HydrophobicContact CD2-CG 3.88Å; L60-Y130 HydrophobicContact CD2-CE2 4.14Å
61S96.7Very high96Very high57 Ų5748.8 Ų48.840%0.39929%0.29SS..Hα-helixtrans-75.6-25.6177.164.90000114.2E57 R58 P63E57-S61 WeakPolarHBondContact O-CB 3.4Å; E57-S61 PolarHBondContact O-N 3.01Å; E57-S61 PolarHBondContact O-OG 2.95Å; E57-S61 VanDerWaalsContact O-OG 3.13Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-OG 2.91Å; S61-P63 VanDerWaalsContact C-CD 3.43Å; S61-P63 WeakPolarHBondContact O-CD 3.34Å
62N96.3Very high96.1Very high57 Ų5747.3 Ų47.331%0.30527%0.274SS..SBendtrans-123.366.9-173.7-51.7-65000111.6R58 G64 E65R58-N62 PolarHBondContact O-N 3.08Å; R58-N62 PolarHBondContact O-ND2 2.78Å; N62-G64 PolarHBondContact O-N 3.01Å; N62-E65 HydrophobicContact CB-CB 4.06Å; N62-E65 HydrophobicContact CB-CG 3.94Å; N62-E65 WeakPolarHBondContact CB-OE2 3.47Å; N62-E65 PolarHBondContact O-N 3.22Å; N62-E65 VanDerWaalsContact O-N 3.15Å
63P93.1Very high96Very high88 Ų8851.3 Ų51.357%0.57130%0.299SS*.THydrogen-bonded Turntrans-61.6123.9-179.426.3-34.9000111.3S61 Y130S61-P63 VanDerWaalsContact C-CD 3.43Å; S61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-Y130 HydrophobicContact CB-CE1 3.75Å
64G88.9Confident96Very high77 Ų7753.5 Ų53.579%0.79431%0.306SS*.THydrogen-bonded Turntrans98.8-13.8-178.300000114.5N62N62-G64 PolarHBondContact O-N 3.01Å
65E94.3Very high95.8Very high121 Ų12150.4 Ų50.457%0.56530%0.297SS*.SBendtrans-79.3146.4172.8-66.5-166.1160.900112.4N62 S67N62-E65 HydrophobicContact CB-CB 4.06Å; N62-E65 HydrophobicContact CB-CG 3.94Å; N62-E65 WeakPolarHBondContact CB-OE2 3.47Å; N62-E65 PolarHBondContact O-N 3.22Å; N62-E65 VanDerWaalsContact O-N 3.15Å; E65-S67 PolarHBondContact O-N 2.75Å
66P94.4Very high95.6Very high132 Ų13259.1 Ų59.186%0.85734%0.341SS*.  trans-57.4121.1171.8-24.835000111.8
67S95.9Very high95.2Very high23 Ų2362.4 Ų62.416%0.16136%0.359CS..  trans-129.1156-177.352.80000112E65 N128 H131E65-S67 PolarHBondContact O-N 2.75Å; S67-N128 PolarHBondContact OG-ND2 2.95Å; S67-H131 PolarHBondContact O-CE1 3.23Å; S67-H131 PolarHBondContact O-NE2 3.32Å
68E96.1Very high95Very high117 Ų11761.7 Ų61.755%0.54736%0.358SS..  trans-74.9160-179.3-71.2160.6-130.800112.7R58 V70 N128 H131R58-E68 IonicContact CZ-OE1 3.05Å; R58-E68 IonicContact NH1-OE1 3.13Å; R58-E68 PolarHBondContact NH1-OE1 3.33Å; R58-E68 IonicContact NH2-OE1 2.95Å; R58-E68 PolarHBondContact NH2-OE1 2.84Å; R58-E68 IonicContact NH2-OE2 2.69Å; E68-V70 PolarHBondContact O-N 2.7Å; E68-V70 VanDerWaalsContact O-N 3.11Å; E68-N128 PolarHBondContact O-ND2 3.05Å; E68-H131 VanDerWaalsContact C-CE1 3.44Å; E68-H131 PolarHBondContact O-CE1 3.11Å; E68-H131 PolarHBondContact O-NE2 3.4Å
69C97.5Very high94.8Very high30 Ų3061.9 Ų61.920%0.20336%0.358CS..  trans-69.8105.8172.8-61.70000110.2T71 R115 F116 H131C69-T71 HydrophobicContact CB-CG2 4.15Å; C69-R115 PolarHBondContact SG-N 3.5Å; C69-F116 HydrophobicContact CB-CD2 3.86Å; C69-H131 PolarHBondContact N-CE1 3.41Å; C69-H131 PolarHBondContact SG-CE1 3.49Å; C69-H131 PolarHBondContact SG-ND1 3.3Å
70V97.8Very high94.6Very high2 Ų262.7 Ų62.71%0.01236%0.362CS..  trans-79.8121.8165.7-175.90000108.5L46 A52 A55 L56 E68 C126 I127 N128L46-V70 HydrophobicContact CD1-CG1 4.13Å; L46-V70 HydrophobicContact CD2-CG1 3.64Å; A52-V70 WeakPolarHBondContact O-CG1 3.45Å; A55-V70 HydrophobicContact CB-CG2 4.01Å; L56-V70 HydrophobicContact CB-CG1 4.1Å; L56-V70 HydrophobicContact CB-CG2 3.96Å; L56-V70 HydrophobicContact CD1-CG2 4.39Å; E68-V70 PolarHBondContact O-N 2.7Å; E68-V70 VanDerWaalsContact O-N 3.11Å; V70-C126 CarbonylContact O-C 3.6Å; V70-C126 WeakPolarHBondContact O-CA 3.32Å; V70-I127 HydrophobicContact CB-CD1 3.99Å; V70-I127 HydrophobicContact CG1-CD1 3.53Å; V70-I127 HydrophobicContact CG1-CG1 4.24Å; V70-I127 PolarHBondContact O-N 2.69Å; V70-N128 HydrophobicContact CB-CB 4.21Å; V70-N128 HydrophobicContact CG2-CB 4.31Å
71T97.5Very high94.4Very high4 Ų467.7 Ų67.73%0.02539%0.386CS..EExtended strand (participates in β ladder)trans-124.1158.3-171.458.60000114K49 C69 F116 E124 V125K49-T71 PolarHBondContact NZ-OG1 3.37Å; C69-T71 HydrophobicContact CB-CG2 4.15Å; T71-F116 HydrophobicContact CG2-CB 3.85Å; T71-F116 HydrophobicContact CG2-CD2 3.67Å; T71-F116 HydrophobicContact CG2-CE2 4.44Å; T71-F116 HydrophobicContact CG2-CG 3.86Å; T71-E124 VanDerWaalsContact CB-OE1 3.32Å; T71-E124 WeakPolarHBondContact CB-OE1 3.44Å; T71-E124 HydrophobicContact CG2-CB 4.29Å; T71-E124 VanDerWaalsContact OG1-CD 3.25Å; T71-E124 PolarHBondContact OG1-OE1 3.49Å; T71-V125 CarbonylContact C-O 3.55Å; T71-V125 VanDerWaalsContact CA-O 3.26Å; T71-V125 WeakPolarHBondContact CA-O 3.24Å
72I96.6Very high94.1Very high4 Ų465.3 Ų65.32%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-129.1156.4163.566.3172.5000110.7L42 K45 L46 P89 E124 V125 I127L42-I72 HydrophobicContact CD1-CG2 3.6Å; K45-I72 HydrophobicContact CB-CG2 4.11Å; K45-I72 HydrophobicContact CD-CB 4.41Å; K45-I72 HydrophobicContact CD-CD1 4.12Å; K45-I72 HydrophobicContact CD-CG2 4.18Å; L46-I72 HydrophobicContact CD2-CG2 4.17Å; I72-P89 HydrophobicContact CD1-CB 3.88Å; I72-P89 HydrophobicContact CD1-CG 4.14Å; I72-E124 WeakPolarHBondContact O-CA 3.26Å; I72-V125 PolarHBondContact N-O 3.15Å; I72-V125 PolarHBondContact O-N 2.86Å; I72-I127 HydrophobicContact CD1-CG2 4.29Å; I72-I127 HydrophobicContact CG1-CG2 4.11Å; I72-I127 HydrophobicContact CG2-CG1 4.33Å
73P95.7Very high93.6Very high91 Ų9164.8 Ų64.859%0.59137%0.369SS*.EExtended strand (participates in β ladder)trans-60138172-24.334.6000112.6
74R95.1Very high93.1Very high60 Ų6068.8 Ų68.823%0.22638%0.38CS..PPolyproline II helixtrans-69.1140.9173.4-169.9178.3-67.7-107.30.7110.3F118 K121 E122 N123 V125R74-F118 VanDerWaalsContact NH1-CE2 3.27Å; R74-F118 PolarHBondContact NH1-O 3.18Å; R74-F118 PolarHBondContact NH2-O 2.86Å; R74-K121 PolarHBondContact NE-O 2.97Å; R74-K121 VanDerWaalsContact NH2-CA 3.3Å; R74-E122 PolarHBondContact NE-O 3.1Å; R74-E122 PolarHBondContact NH2-O 3.11Å; R74-N123 PolarHBondContact N-O 2.78Å; R74-V125 HydrophobicContact CB-CG2 4.07Å; R74-V125 HydrophobicContact CG-CG2 4.17Å
75S93.6Very high93Very high46 Ų4671.4 Ų71.432%0.32237%0.366SS..PPolyproline II helixtrans-87.8160.8170.149.10000111.4D77 G78 R79S75-D77 PolarHBondContact O-N 3.35Å; S75-D77 VanDerWaalsContact O-N 3.12Å; S75-G78 PolarHBondContact O-N 3.3Å; S75-G78 VanDerWaalsContact OG-C 3.25Å; S75-G78 PolarHBondContact OG-N 3.35Å; S75-R79 PolarHBondContact OG-N 3.3Å; S75-R79 PolarHBondContact OG-O 3.1Å
76L90.9Very high92.8Very high194 Ų19471.1 Ų71.1100%1.01636%0.363SS*.THydrogen-bonded Turntrans-55.6-31.2-178.3-62.1175.6000114.1
77D90.2Very high92.7Very high69 Ų6965.9 Ų65.937%0.36933%0.333SS..THydrogen-bonded Turntrans-104.510.4175.975.5-15.8000113.4S75 R79 K86S75-D77 PolarHBondContact O-N 3.35Å; S75-D77 VanDerWaalsContact O-N 3.12Å; D77-R79 PolarHBondContact O-N 2.97Å; D77-R79 PolarHBondContact OD1-N 3.22Å; D77-R79 VanDerWaalsContact OD1-N 3.08Å; D77-R79 IonicContact OD2-CZ 4Å; D77-R79 VanDerWaalsContact OD2-CZ 3.23Å; D77-R79 IonicContact OD2-NE 2.7Å; D77-R79 PolarHBondContact OD2-NE 2.83Å; D77-R79 IonicContact OD2-NH2 2.69Å; D77-R79 PolarHBondContact OD2-NH2 2.88Å; D77-K86 IonicContact OD2-NZ 3.21Å
78G92Very high92.6Very high8 Ų866.5 Ų66.58%0.08233%0.334CS..SBendtrans67.2-4.2-17700000116S75 P89S75-G78 PolarHBondContact O-N 3.3Å; S75-G78 VanDerWaalsContact OG-C 3.25Å; S75-G78 PolarHBondContact OG-N 3.35Å; G78-P89 VanDerWaalsContact O-CD 3.23Å; G78-P89 WeakPolarHBondContact O-CD 3.34Å
79R93.1Very high92.6Very high115 Ų11561.2 Ų61.243%0.43431%0.31SS..  trans-100.3147.9-175-64.9177.8-62.6-157.8-5.1112.6S75 D77 K86 G87 L88S75-R79 PolarHBondContact OG-N 3.3Å; S75-R79 PolarHBondContact OG-O 3.1Å; D77-R79 PolarHBondContact O-N 2.97Å; D77-R79 PolarHBondContact OD1-N 3.22Å; D77-R79 VanDerWaalsContact OD1-N 3.08Å; D77-R79 IonicContact OD2-CZ 4Å; D77-R79 VanDerWaalsContact OD2-CZ 3.23Å; D77-R79 IonicContact OD2-NE 2.7Å; D77-R79 PolarHBondContact OD2-NE 2.83Å; D77-R79 IonicContact OD2-NH2 2.69Å; D77-R79 PolarHBondContact OD2-NH2 2.88Å; R79-K86 HydrophobicContact CB-CB 4.41Å; R79-G87 CarbonylContact C-O 3.54Å; R79-G87 WeakPolarHBondContact CA-O 3.2Å; R79-L88 HydrophobicContact CG-CD2 3.87Å
80L93.3Very high92.6Very high18 Ų1860.1 Ų60.19%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-104138.3168.4179.164.2000109.4V82 K86 G87 P89 I92 Y93L80-V82 HydrophobicContact CD2-CG2 4.23Å; L80-V82 HydrophobicContact CG-CG2 4.19Å; L80-K86 WeakPolarHBondContact O-CA 3.37Å; L80-G87 PolarHBondContact N-O 3.44Å; L80-G87 PolarHBondContact O-N 3.07Å; L80-P89 HydrophobicContact CB-CG 4.19Å; L80-I92 HydrophobicContact CB-CD1 4.02Å; L80-I92 HydrophobicContact CD2-CD1 4.27Å; L80-I92 HydrophobicContact CG-CD1 4.41Å; L80-Y93 HydrophobicContact CD2-CE2 4.01Å; L80-Y93 WeakPolarHBondContact CD2-OH 3.3Å
81Q92.6Very high92.5Very high109 Ų10960.8 Ų60.851%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-96.5127174.3-171.4165.3-4000110.5R85 K86Q81-R85 CarbonylContact C-O 3.58Å; Q81-R85 WeakPolarHBondContact CA-O 3.44Å; Q81-K86 HydrophobicContact CB-CG 4.18Å; Q81-K86 HydrophobicContact CG-CG 4.22Å; Q81-K86 VanDerWaalsContact OE1-CE 3.26Å
82V90.6Very high92.4Very high6 Ų661.1 Ų61.14%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-133.9117.7176.3-179.10000108.2W34 K37 A38 L80 H84 R85 I92W34-V82 HydrophobicContact CG-CG1 4.41Å; K37-V82 HydrophobicContact CB-CG1 4.01Å; A38-V82 HydrophobicContact CB-CG1 3.96Å; A38-V82 HydrophobicContact CB-CG2 4.28Å; L80-V82 HydrophobicContact CD2-CG2 4.23Å; L80-V82 HydrophobicContact CG-CG2 4.19Å; V82-H84 PolarHBondContact O-N 2.76Å; V82-R85 PolarHBondContact N-O 3.2Å; V82-R85 PolarHBondContact O-N 3.11Å; V82-R85 VanDerWaalsContact O-N 3.08Å; V82-I92 HydrophobicContact CG2-CD1 4.3Å
83S86.1Confident92.5Very high46 Ų4660.9 Ų60.932%0.32231%0.307SS..THydrogen-bonded Turntrans47.556.2177.4-159.30000113.6K37 R85K37-S83 PolarHBondContact NZ-OG 2.91Å; S83-R85 PolarHBondContact O-N 3.11Å
84H83.5Confident92.5Very high173 Ų17356.6 Ų56.680%0.80128%0.279SS*.THydrogen-bonded Turntrans68.1-17.7-177.1-49.7-90.4000116.6V82V82-H84 PolarHBondContact O-N 2.76Å
85R86.2Confident92.5Very high132 Ų13257.5 Ų57.550%0.49828%0.282SS..EExtended strand (participates in β ladder)trans-80.4145.5170.8-60.5-176.8-177156.9-1.3111E31 Q81 V82 S83E31-R85 IonicContact OE1-CZ 3.46Å; E31-R85 IonicContact OE1-NH1 2.86Å; E31-R85 PolarHBondContact OE1-NH1 3.07Å; E31-R85 IonicContact OE1-NH2 3.03Å; E31-R85 PolarHBondContact OE1-NH2 3.03Å; E31-R85 IonicContact OE2-CZ 3.76Å; E31-R85 IonicContact OE2-NH1 2.7Å; E31-R85 PolarHBondContact OE2-NH1 2.98Å; E31-R85 IonicContact OE2-NH2 2.66Å; Q81-R85 CarbonylContact C-O 3.58Å; Q81-R85 WeakPolarHBondContact CA-O 3.44Å; V82-R85 PolarHBondContact N-O 3.2Å; V82-R85 PolarHBondContact O-N 3.11Å; V82-R85 VanDerWaalsContact O-N 3.08Å; S83-R85 PolarHBondContact O-N 3.11Å
86K89.5Confident92.7Very high114 Ų11455.5 Ų55.550%0.49627%0.268SS..EExtended strand (participates in β ladder)trans-109.3132.6168.9-71.8-170.8174.3-168.10109.6D77 R79 L80 Q81D77-K86 IonicContact OD2-NZ 3.21Å; R79-K86 HydrophobicContact CB-CB 4.41Å; L80-K86 WeakPolarHBondContact O-CA 3.37Å; Q81-K86 HydrophobicContact CB-CG 4.18Å; Q81-K86 HydrophobicContact CG-CG 4.22Å; Q81-K86 VanDerWaalsContact OE1-CE 3.26Å
87G92.2Very high92.9Very high23 Ų2346.4 Ų46.424%0.23722%0.22CC..EExtended strand (participates in β ladder)trans-146.8170.6177.300000112R79 L80R79-G87 CarbonylContact C-O 3.54Å; R79-G87 WeakPolarHBondContact CA-O 3.2Å; L80-G87 PolarHBondContact N-O 3.44Å; L80-G87 PolarHBondContact O-N 3.07Å
88L94.8Very high93.2Very high35 Ų3546.9 Ų46.918%0.18322%0.217CC..  trans-81.9135.3178.9-64.1174.9000110.2R79 H90 V91 I92 H105 F118R79-L88 HydrophobicContact CG-CD2 3.87Å; L88-H90 PolarHBondContact O-N 3.06Å; L88-V91 HydrophobicContact CB-CB 4.34Å; L88-V91 HydrophobicContact CB-CG2 3.98Å; L88-V91 PolarHBondContact O-N 2.88Å; L88-V91 VanDerWaalsContact O-N 3.15Å; L88-I92 WeakPolarHBondContact O-CG1 3.47Å; L88-I92 PolarHBondContact O-N 2.89Å; L88-H105 HydrophobicContact CD1-CB 3.84Å; L88-F118 HydrophobicContact CD1-CE1 4.11Å; L88-F118 HydrophobicContact CD1-CZ 4.36Å; L88-F118 HydrophobicContact CD2-CE1 4.11Å; L88-F118 HydrophobicContact CD2-CE2 3.96Å; L88-F118 HydrophobicContact CD2-CZ 3.51Å; L88-F118 HydrophobicContact CG-CZ 4.46Å
89P96.3Very high93.3Very high6 Ų648.4 Ų48.44%0.03922%0.22CC..Hα-helixtrans-53.9-52-171-28.633.1000114.2I72 G78 L80 V91 I92 Y93 V125 I127I72-P89 HydrophobicContact CD1-CB 3.88Å; I72-P89 HydrophobicContact CD1-CG 4.14Å; G78-P89 VanDerWaalsContact O-CD 3.23Å; G78-P89 WeakPolarHBondContact O-CD 3.34Å; L80-P89 HydrophobicContact CB-CG 4.19Å; P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 3.41Å; P89-I92 WeakPolarHBondContact O-CB 3.47Å; P89-I92 PolarHBondContact O-N 3.46Å; P89-Y93 HydrophobicContact CB-CE2 4.47Å; P89-Y93 WeakPolarHBondContact O-CD2 3.2Å; P89-Y93 PolarHBondContact O-N 3.06Å; P89-V125 HydrophobicContact CB-CG1 4.24Å; P89-I127 HydrophobicContact CB-CG2 3.88Å
90H96.7Very high93.4Very high7 Ų745.2 Ų45.23%0.03221%0.214CC..Hα-helixtrans-59.2-41.1179.864.5-70.5000112.6L88 Y93 C94 F118 Y132L88-H90 PolarHBondContact O-N 3.06Å; H90-Y93 PolarHBondContact O-N 3.44Å; H90-C94 VanDerWaalsContact O-CB 3.3Å; H90-C94 WeakPolarHBondContact O-CB 3.26Å; H90-C94 PolarHBondContact O-N 3.18Å; H90-C94 PolarHBondContact O-SG 3.12Å; H90-F118 WeakPolarHBondContact CE1-CB 3.33Å; H90-F118 AromaticContact CE1-CD1 3.44Å; H90-F118 VanDerWaalsContact CE1-CD1 3.44Å; H90-F118 WeakPolarHBondContact CE1-CD1 3Å; H90-F118 AromaticContact CE1-CD2 3.87Å; H90-F118 AromaticContact CE1-CG 3.24Å; H90-F118 WeakPolarHBondContact CE1-CG 3.22Å; H90-F118 WeakPolarHBondContact ND1-CB 3.12Å; H90-F118 AromaticContact ND1-CD2 3.73Å; H90-F118 AromaticContact ND1-CG 3.46Å; H90-F118 WeakPolarHBondContact ND1-CG 3.46Å; H90-Y132 HydrophobicContact CB-CE1 4.04Å; H90-Y132 HydrophobicContact CB-CE2 3.76Å; H90-Y132 VanDerWaalsContact CB-CZ 3.46Å; H90-Y132 WeakPolarHBondContact CB-OH 3.43Å; H90-Y132 AromaticContact CD2-CE1 3.79Å
91V96.4Very high93.3Very high17 Ų1748.3 Ų48.310%0.10323%0.231CC..Hα-helixtrans-62.1-48174.2-178.20000111.1L88 P89 Y93 C94 R95 L102 H105 L108L88-V91 HydrophobicContact CB-CB 4.34Å; L88-V91 HydrophobicContact CB-CG2 3.98Å; L88-V91 PolarHBondContact O-N 2.88Å; L88-V91 VanDerWaalsContact O-N 3.15Å; P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 3.41Å; V91-Y93 VanDerWaalsContact C-N 3.3Å; V91-Y93 PolarHBondContact O-N 3.33Å; V91-C94 PolarHBondContact O-N 3.38Å; V91-R95 VanDerWaalsContact O-CB 3.22Å; V91-R95 WeakPolarHBondContact O-CB 3.43Å; V91-R95 PolarHBondContact O-N 2.79Å; V91-L102 HydrophobicContact CB-CD2 4.47Å; V91-L102 HydrophobicContact CG1-CD2 3.8Å; V91-L102 HydrophobicContact CG1-CG 4.24Å; V91-H105 HydrophobicContact CG2-CB 3.58Å; V91-L108 HydrophobicContact CG2-CD1 4.28Å
92I95.8Very high93.3Very high10 Ų1043.1 Ų43.15%0.05121%0.207CC..Hα-helixtrans-54.5-48178.6-69.7166.9000110.6W34 A38 L80 V82 L88 P89 R95 V96W34-I92 HydrophobicContact CH2-CB 4.44Å; W34-I92 HydrophobicContact CH2-CG2 3.88Å; W34-I92 HydrophobicContact CZ2-CB 4.48Å; W34-I92 HydrophobicContact CZ2-CG1 4.2Å; W34-I92 HydrophobicContact CZ2-CG2 3.93Å; A38-I92 HydrophobicContact CB-CG2 4.02Å; L80-I92 HydrophobicContact CB-CD1 4.02Å; L80-I92 HydrophobicContact CD2-CD1 4.27Å; L80-I92 HydrophobicContact CG-CD1 4.41Å; V82-I92 HydrophobicContact CG2-CD1 4.3Å; L88-I92 WeakPolarHBondContact O-CG1 3.47Å; L88-I92 PolarHBondContact O-N 2.89Å; P89-I92 WeakPolarHBondContact O-CB 3.47Å; P89-I92 PolarHBondContact O-N 3.46Å; I92-R95 PolarHBondContact O-N 2.88Å; I92-V96 WeakPolarHBondContact O-CG2 3.49Å; I92-V96 PolarHBondContact O-N 2.86Å
93Y97.1Very high93.2Very high0 Ų045.9 Ų45.90%022%0.219CC..Hα-helixtrans-81.8-31.2-174-64.3-57.9000113.8A38 L42 L80 P89 H90 V91 R95 V96 W97 I127A38-Y93 HydrophobicContact CB-CE1 4.39Å; A38-Y93 PolarHBondContact O-OH 3.12Å; A38-Y93 VanDerWaalsContact O-OH 3.11Å; L42-Y93 HydrophobicContact CB-CE1 3.8Å; L42-Y93 WeakPolarHBondContact CB-OH 3.19Å; L42-Y93 HydrophobicContact CD1-CE1 4.43Å; L42-Y93 HydrophobicContact CD1-CE2 4.01Å; L42-Y93 HydrophobicContact CD2-CD1 4Å; L42-Y93 HydrophobicContact CD2-CE1 3.8Å; L42-Y93 HydrophobicContact CG-CE1 4.21Å; L80-Y93 HydrophobicContact CD2-CE2 4.01Å; L80-Y93 WeakPolarHBondContact CD2-OH 3.3Å; P89-Y93 HydrophobicContact CB-CE2 4.47Å; P89-Y93 WeakPolarHBondContact O-CD2 3.2Å; P89-Y93 PolarHBondContact O-N 3.06Å; H90-Y93 PolarHBondContact O-N 3.44Å; V91-Y93 VanDerWaalsContact C-N 3.3Å; V91-Y93 PolarHBondContact O-N 3.33Å; Y93-R95 VanDerWaalsContact C-N 3.29Å; Y93-V96 PolarHBondContact O-N 2.83Å; Y93-W97 AromaticContact CD1-CH2 3.86Å; Y93-W97 HydrophobicContact CD1-CH2 3.86Å; Y93-W97 AromaticContact CD1-CZ3 3.73Å; Y93-W97 HydrophobicContact CD1-CZ3 3.73Å; Y93-W97 AromaticContact CG-CZ3 3.96Å; Y93-W97 HydrophobicContact CG-CZ3 3.96Å; Y93-W97 VanDerWaalsContact O-CE3 3.31Å; Y93-W97 PolarHBondContact O-N 2.96Å; Y93-I127 HydrophobicContact CD2-CB 3.6Å; Y93-I127 HydrophobicContact CD2-CG1 4.31Å; Y93-I127 HydrophobicContact CD2-CG2 3.58Å; Y93-I127 HydrophobicContact CE2-CB 4.38Å; Y93-I127 HydrophobicContact CE2-CG2 4.08Å; Y93-I127 HydrophobicContact CG-CB 4.19Å
94C97.2Very high93.4Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-64.4-35.8166.6-66.20000111.6H90 V91 R98 W99 L102 L108H90-C94 VanDerWaalsContact O-CB 3.3Å; H90-C94 WeakPolarHBondContact O-CB 3.26Å; H90-C94 PolarHBondContact O-N 3.18Å; H90-C94 PolarHBondContact O-SG 3.12Å; V91-C94 PolarHBondContact O-N 3.38Å; C94-R98 PolarHBondContact O-N 2.8Å; C94-W99 HydrophobicContact CB-CE3 4.06Å; C94-W99 HydrophobicContact CB-CZ3 4.19Å; C94-W99 PolarHBondContact O-N 2.87Å; C94-L102 HydrophobicContact CB-CD2 3.89Å; C94-L108 HydrophobicContact CB-CD1 3.97Å; C94-L108 HydrophobicContact CB-CD2 4.46Å
95R95.4Very high93.8Very high79 Ų7939.2 Ų39.230%0.29819%0.185SC..Hα-helixtrans-67.4-40.6175.9-171.2173.7-177.1167.4-6.2112.8V91 I92 Y93 W99 P100 L102V91-R95 VanDerWaalsContact O-CB 3.22Å; V91-R95 WeakPolarHBondContact O-CB 3.43Å; V91-R95 PolarHBondContact O-N 2.79Å; I92-R95 PolarHBondContact O-N 2.88Å; Y93-R95 VanDerWaalsContact C-N 3.29Å; R95-W99 WeakPolarHBondContact CA-O 3.32Å; R95-W99 WeakPolarHBondContact CG-O 3.39Å; R95-P100 VanDerWaalsContact CZ-O 3.32Å; R95-P100 PolarHBondContact NE-O 3.27Å; R95-P100 PolarHBondContact NH2-O 3.14Å; R95-P100 WeakPolarHBondContact O-CA 3.39Å; R95-L102 HydrophobicContact CB-CB 4.28Å; R95-L102 HydrophobicContact CB-CD2 4.41Å; R95-L102 WeakPolarHBondContact CD-O 3.31Å; R95-L102 HydrophobicContact CG-CB 4.38Å; R95-L102 PolarHBondContact NH1-O 2.97Å
96V96Very high94.2Very high4 Ų434.7 Ų34.72%0.02417%0.169CC..Hα-helixtrans-65-40.5177.31700000112.3K26 Q27 W34 A35 A38 V39 I92 Y93K26-V96 CarbonylContact C-O 3.55Å; K26-V96 WeakPolarHBondContact CA-O 3.33Å; K26-V96 HydrophobicContact CG-CG1 4.28Å; Q27-V96 PolarHBondContact N-O 3.37Å; W34-V96 HydrophobicContact CH2-CG2 4.16Å; W34-V96 HydrophobicContact CZ3-CG2 3.72Å; A35-V96 HydrophobicContact CB-CG2 4.25Å; A38-V96 HydrophobicContact CB-CG2 4.37Å; V39-V96 HydrophobicContact CG2-CG1 4.04Å; I92-V96 WeakPolarHBondContact O-CG2 3.49Å; I92-V96 PolarHBondContact O-N 2.86Å; Y93-V96 PolarHBondContact O-N 2.83Å
97W97Very high94.4Very high4 Ų429.8 Ų29.82%0.01515%0.148CC..Hα-helixtrans-113.9-6.7-167.9-66.7-54.1000117.2L22 Q27 V39 L42 L56 L60 Y93 P129L22-W97 HydrophobicContact CB-CZ2 4.22Å; L22-W97 HydrophobicContact CD2-CZ2 4.3Å; L22-W97 PolarHBondContact O-NE1 3.15Å; Q27-W97 VanDerWaalsContact CG-C 3.43Å; Q27-W97 VanDerWaalsContact CG-O 3.31Å; Q27-W97 WeakPolarHBondContact CG-O 3.16Å; V39-W97 HydrophobicContact CG2-CZ2 4Å; L42-W97 HydrophobicContact CD2-CH2 3.53Å; L42-W97 HydrophobicContact CD2-CZ3 4.17Å; L56-W97 HydrophobicContact CD1-CH2 4.44Å; L56-W97 HydrophobicContact CD1-CZ3 4.13Å; L56-W97 HydrophobicContact CD2-CH2 3.71Å; L56-W97 HydrophobicContact CD2-CZ2 4.41Å; L56-W97 HydrophobicContact CD2-CZ3 4.17Å; L60-W97 HydrophobicContact CD1-CD2 4.05Å; L60-W97 HydrophobicContact CD1-CG 4.4Å; L60-W97 HydrophobicContact CD1-CZ2 4.09Å; L60-W97 HydrophobicContact CD2-CB 3.77Å; L60-W97 HydrophobicContact CD2-CD2 3.77Å; L60-W97 HydrophobicContact CD2-CE3 4.2Å; L60-W97 HydrophobicContact CD2-CG 3.55Å; Y93-W97 AromaticContact CD1-CH2 3.86Å; Y93-W97 HydrophobicContact CD1-CH2 3.86Å; Y93-W97 AromaticContact CD1-CZ3 3.73Å; Y93-W97 HydrophobicContact CD1-CZ3 3.73Å; Y93-W97 AromaticContact CG-CZ3 3.96Å; Y93-W97 HydrophobicContact CG-CZ3 3.96Å; Y93-W97 VanDerWaalsContact O-CE3 3.31Å; Y93-W97 PolarHBondContact O-N 2.96Å; W97-P129 HydrophobicContact CB-CB 4.41Å; W97-P129 HydrophobicContact CB-CG 4.03Å; W97-P129 HydrophobicContact CE3-CG 4.04Å
98R95.4Very high94.6Very high78 Ų7829.4 Ų29.429%0.29414%0.14SC..THydrogen-bonded Turntrans-137-45.9179.6-66.7-175.471.7-174.21.3114.6C94 P129 Y132C94-R98 PolarHBondContact O-N 2.8Å; R98-P129 WeakPolarHBondContact CD-O 3.21Å; R98-P129 HydrophobicContact CG-CB 4.06Å; R98-P129 PolarHBondContact NH1-O 3.03Å; R98-Y132 PolarHBondContact NH1-O 2.57Å
99W95Very high94.7Very high41 Ų4133.2 Ų33.216%0.15516%0.155CC..  trans-136.384-169.2-57.6-62.4000111.5C94 R95 D101 L102 L108 R134C94-W99 HydrophobicContact CB-CE3 4.06Å; C94-W99 HydrophobicContact CB-CZ3 4.19Å; C94-W99 PolarHBondContact O-N 2.87Å; R95-W99 WeakPolarHBondContact CA-O 3.32Å; R95-W99 WeakPolarHBondContact CG-O 3.39Å; W99-D101 PolarHBondContact O-N 2.69Å; W99-D101 VanDerWaalsContact O-N 3.07Å; W99-L102 HydrophobicContact CB-CB 3.99Å; W99-L102 WeakPolarHBondContact O-CB 3.15Å; W99-L102 PolarHBondContact O-N 3.07Å; W99-L108 HydrophobicContact CE3-CD2 3.85Å; W99-L108 HydrophobicContact CH2-CD2 4.39Å; W99-L108 HydrophobicContact CZ3-CD2 3.49Å; W99-L108 VanDerWaalsContact CZ3-CD2 3.49Å; W99-R134 HydrophobicContact CD2-CB 4.21Å; W99-R134 HydrophobicContact CE3-CB 4.47Å; W99-R134 HydrophobicContact CH2-CB 3.93Å; W99-R134 HydrophobicContact CZ2-CB 3.63Å; W99-R134 HydrophobicContact CZ3-CB 4.35Å
100P93.4Very high94.7Very high47 Ų4735 Ų3531%0.30517%0.167SC..THydrogen-bonded Turntrans-57.6-23.3-177.7-26.936.6000114.8Q27 R95Q27-P100 VanDerWaalsContact C-CG 3.41Å; Q27-P100 HydrophobicContact CB-CG 3.44Å; Q27-P100 VanDerWaalsContact CB-CG 3.44Å; Q27-P100 WeakPolarHBondContact O-CG 3.34Å; R95-P100 VanDerWaalsContact CZ-O 3.32Å; R95-P100 PolarHBondContact NE-O 3.27Å; R95-P100 PolarHBondContact NH2-O 3.14Å; R95-P100 WeakPolarHBondContact O-CA 3.39Å
101D91.1Very high94.7Very high84 Ų8436.6 Ų36.645%0.44918%0.176SC..THydrogen-bonded Turntrans-87.1-5.5179.765.9-51.2000113.9W99 Q103 R134W99-D101 PolarHBondContact O-N 2.69Å; W99-D101 VanDerWaalsContact O-N 3.07Å; D101-Q103 WeakPolarHBondContact O-CG 3.33Å; D101-Q103 PolarHBondContact O-N 3.05Å; D101-R134 VanDerWaalsContact CG-NH1 3.29Å; D101-R134 IonicContact OD1-CZ 2.7Å; D101-R134 IonicContact OD1-NH1 2.6Å; D101-R134 PolarHBondContact OD1-NH1 2.7Å; D101-R134 VanDerWaalsContact OD1-NH1 3.11Å; D101-R134 IonicContact OD1-NH2 2.73Å; D101-R134 IonicContact OD2-CZ 2.71Å; D101-R134 IonicContact OD2-NH1 3.56Å; D101-R134 PolarHBondContact OD2-NH1 2.83Å; D101-R134 IonicContact OD2-NH2 3.9Å; D101-R134 PolarHBondContact OD2-NH2 3.41Å
102L92.8Very high94.6Very high0 Ų044 Ų440%022%0.215CC..  trans-59.3123.4180-172.975.7000111.6V91 C94 R95 W99 E107 L108V91-L102 HydrophobicContact CB-CD2 4.47Å; V91-L102 HydrophobicContact CG1-CD2 3.8Å; V91-L102 HydrophobicContact CG1-CG 4.24Å; C94-L102 HydrophobicContact CB-CD2 3.89Å; R95-L102 HydrophobicContact CB-CB 4.28Å; R95-L102 HydrophobicContact CB-CD2 4.41Å; R95-L102 WeakPolarHBondContact CD-O 3.31Å; R95-L102 HydrophobicContact CG-CB 4.38Å; R95-L102 PolarHBondContact NH1-O 2.97Å; W99-L102 HydrophobicContact CB-CB 3.99Å; W99-L102 WeakPolarHBondContact O-CB 3.15Å; W99-L102 PolarHBondContact O-N 3.07Å; L102-E107 HydrophobicContact CD1-CB 3.62Å; L102-E107 HydrophobicContact CD1-CG 4.37Å; L102-L108 HydrophobicContact CD1-CD2 3.95Å; L102-L108 HydrophobicContact CD1-CG 4.16Å; L102-L108 HydrophobicContact CD2-CD1 3.94Å; L102-L108 HydrophobicContact CD2-CD2 4.14Å; L102-L108 HydrophobicContact CD2-CG 4.13Å
103Q88.8Confident94.6Very high63 Ų6349.2 Ų49.229%0.29424%0.237SC..  trans-106.6-40.6-172.2-46.4-167.42.800111.9D101 E107D101-Q103 WeakPolarHBondContact O-CG 3.33Å; D101-Q103 PolarHBondContact O-N 3.05Å; Q103-E107 WeakPolarHBondContact CA-OE1 3.13Å; Q103-E107 WeakPolarHBondContact CB-OE1 3.42Å; Q103-E107 PolarHBondContact N-OE1 3.08Å
104S90.4Very high94.6Very high14 Ų1449.7 Ų49.710%0.09824%0.241CC..  trans-135.8159.9-173.4-168.30000113.9H106 E107S104-H106 VanDerWaalsContact C-N 3.3Å; S104-H106 PolarHBondContact O-N 3.33Å; S104-H106 PolarHBondContact OG-CD2 3.35Å; S104-E107 PolarHBondContact N-OE1 2.73Å; S104-E107 WeakPolarHBondContact O-CB 3.44Å; S104-E107 PolarHBondContact O-N 2.85Å
105H93Very high94.6Very high65 Ų6559.4 Ų59.430%0.30128%0.277SS..G310 helixtrans-71.2-21.4173.976.9-62.1000113.8L88 V91 E107 L108L88-H105 HydrophobicContact CD1-CB 3.84Å; V91-H105 HydrophobicContact CG2-CB 3.58Å; H105-E107 PolarHBondContact O-N 2.94Å; H105-L108 PolarHBondContact O-N 2.72Å
106H93.1Very high94.7Very high38 Ų3858.7 Ų58.718%0.17628%0.276CS..G310 helixtrans-66.1-23.4175.3-49.4-70000112.2S104 L108 V135 H325 Y327 V329 E336S104-H106 VanDerWaalsContact C-N 3.3Å; S104-H106 PolarHBondContact O-N 3.33Å; S104-H106 PolarHBondContact OG-CD2 3.35Å; H106-L108 PolarHBondContact O-N 2.73Å; H106-V135 WeakPolarHBondContact O-CG2 3.46Å; H106-H325 AromaticContact CD2-CE1 3.82Å; H106-H325 AromaticContact NE2-CE1 3.41Å; H106-H325 PolarHBondContact NE2-CE1 2.78Å; H106-H325 AromaticContact NE2-ND1 3.87Å; H106-Y327 HydrophobicContact CB-CD2 3.79Å; H106-Y327 HydrophobicContact CB-CE2 3.63Å; H106-Y327 AromaticContact CD2-CD1 3.55Å; H106-Y327 AromaticContact CD2-CD2 3.58Å; H106-Y327 AromaticContact CD2-CE1 3.57Å; H106-Y327 AromaticContact CD2-CE2 3.61Å; H106-Y327 AromaticContact CD2-CG 3.56Å; H106-Y327 AromaticContact CD2-CZ 3.61Å; H106-Y327 AromaticContact CE1-CE1 3.59Å; H106-Y327 AromaticContact CE1-CZ 3.51Å; H106-Y327 AromaticContact CG-CD2 3.72Å; H106-Y327 AromaticContact CG-CE2 3.4Å; H106-Y327 AromaticContact CG-CZ 3.59Å; H106-Y327 AromaticContact ND1-CE2 3.77Å; H106-Y327 AromaticContact ND1-CZ 3.53Å; H106-Y327 AromaticContact NE2-CD1 3.61Å; H106-Y327 AromaticContact NE2-CE1 3.34Å; H106-Y327 VanDerWaalsContact NE2-CE1 3.34Å; H106-Y327 WeakPolarHBondContact NE2-CE1 3.31Å; H106-Y327 AromaticContact NE2-CZ 3.64Å; H106-V329 HydrophobicContact CB-CG1 4.4Å; H106-E336 IonicContact CE1-OE2 2.83Å
107E95.3Very high94.7Very high10 Ų1059.3 Ų59.35%0.04728%0.281CS..G310 helixtrans-71.9-6.7171-61.8176.3-101.900113.2L102 Q103 S104 H105 R134 V135 V329L102-E107 HydrophobicContact CD1-CB 3.62Å; L102-E107 HydrophobicContact CD1-CG 4.37Å; Q103-E107 WeakPolarHBondContact CA-OE1 3.13Å; Q103-E107 WeakPolarHBondContact CB-OE1 3.42Å; Q103-E107 PolarHBondContact N-OE1 3.08Å; S104-E107 PolarHBondContact N-OE1 2.73Å; S104-E107 WeakPolarHBondContact O-CB 3.44Å; S104-E107 PolarHBondContact O-N 2.85Å; H105-E107 PolarHBondContact O-N 2.94Å; E107-R134 HydrophobicContact CB-CG 4.47Å; E107-R134 CarbonylContact O-C 3.58Å; E107-R134 WeakPolarHBondContact O-CA 3.46Å; E107-R134 WeakPolarHBondContact O-CG 3.42Å; E107-R134 IonicContact OE2-CZ 3.11Å; E107-R134 IonicContact OE2-NE 3.79Å; E107-R134 PolarHBondContact OE2-NE 3.15Å; E107-R134 IonicContact OE2-NH2 3.89Å; E107-R134 PolarHBondContact OE2-NH2 3.22Å; E107-V135 PolarHBondContact O-N 3.39Å; E107-V329 HydrophobicContact CB-CG2 4.46Å; E107-V329 HydrophobicContact CG-CG2 4.11Å
108L96.7Very high94.6Very high15 Ų1560.6 Ų60.68%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-114.7128.9178.8-62.9-176.2000111.7V91 C94 W99 L102 H105 H106 Y132 Q133V91-L108 HydrophobicContact CG2-CD1 4.28Å; C94-L108 HydrophobicContact CB-CD1 3.97Å; C94-L108 HydrophobicContact CB-CD2 4.46Å; W99-L108 HydrophobicContact CE3-CD2 3.85Å; W99-L108 HydrophobicContact CH2-CD2 4.39Å; W99-L108 HydrophobicContact CZ3-CD2 3.49Å; W99-L108 VanDerWaalsContact CZ3-CD2 3.49Å; L102-L108 HydrophobicContact CD1-CD2 3.95Å; L102-L108 HydrophobicContact CD1-CG 4.16Å; L102-L108 HydrophobicContact CD2-CD1 3.94Å; L102-L108 HydrophobicContact CD2-CD2 4.14Å; L102-L108 HydrophobicContact CD2-CG 4.13Å; H105-L108 PolarHBondContact O-N 2.72Å; H106-L108 PolarHBondContact O-N 2.73Å; L108-Y132 HydrophobicContact CB-CD1 4.36Å; L108-Q133 WeakPolarHBondContact CA-O 3.48Å
109K95.6Very high94.5Very high115 Ų11560.3 Ų60.350%0.530%0.296SS..EExtended strand (participates in β ladder)trans-106.7135.2162-70.5170.6-177.51710108.6Y132 Q133 V135K109-Y132 CarbonylContact O-C 3.54Å; K109-Y132 VanDerWaalsContact O-CA 3.31Å; K109-Y132 WeakPolarHBondContact O-CA 3.21Å; K109-Q133 HydrophobicContact CB-CG 3.97Å; K109-Q133 PolarHBondContact N-O 2.89Å; K109-Q133 PolarHBondContact O-N 3.14Å; K109-V135 HydrophobicContact CD-CG2 3.88Å; K109-V135 HydrophobicContact CG-CG2 3.81Å
110P96.9Very high94.5Very high44 Ų4460.7 Ų60.729%0.28631%0.308SS..EExtended strand (participates in β ladder)trans-65.1156.5167.531.2-34.8000110P117 H131 Y132P110-P117 HydrophobicContact CB-CB 3.49Å; P110-P117 VanDerWaalsContact CB-CB 3.49Å; P110-P117 HydrophobicContact CG-CB 3.9Å; P110-H131 WeakPolarHBondContact CA-O 3.48Å; P110-Y132 HydrophobicContact CB-CD1 4.28Å; P110-Y132 HydrophobicContact CB-CE1 4.24Å
111L96.4Very high94.4Very high41 Ų4162.9 Ų62.922%0.21531%0.313CS..  trans-88.3148.3167.8-63176.2000110.1F113 C114 Y130 H131 Q133L111-F113 HydrophobicContact CB-CD1 4.09Å; L111-F113 HydrophobicContact CB-CE1 3.7Å; L111-F113 HydrophobicContact CB-CE2 4.39Å; L111-F113 HydrophobicContact CB-CZ 3.87Å; L111-F113 HydrophobicContact CD1-CE1 3.7Å; L111-F113 HydrophobicContact CD1-CE2 4.44Å; L111-F113 HydrophobicContact CD1-CZ 3.47Å; L111-F113 VanDerWaalsContact CD1-CZ 3.47Å; L111-F113 HydrophobicContact CG-CE1 4.31Å; L111-F113 HydrophobicContact CG-CZ 4.32Å; L111-F113 PolarHBondContact O-N 3.33Å; L111-F113 VanDerWaalsContact O-N 3.07Å; L111-C114 WeakPolarHBondContact O-CB 3.39Å; L111-C114 PolarHBondContact O-N 2.77Å; L111-Y130 VanDerWaalsContact CD1-O 3.3Å; L111-Y130 WeakPolarHBondContact CD1-O 3.34Å; L111-H131 PolarHBondContact N-O 2.59Å; L111-Q133 HydrophobicContact CD2-CB 4Å; L111-Q133 HydrophobicContact CD2-CG 3.82Å
112D95.3Very high94.5Very high173 Ų17363.3 Ų63.393%0.92531%0.312SS*.THydrogen-bonded Turntrans-62.1-23.5-168.8-54-45.9000114.2C114D112-C114 VanDerWaalsContact C-N 3.33Å
113F95.2Very high94.6Very high118 Ų11870 Ų7052%0.51835%0.348SS..THydrogen-bonded Turntrans-81.3-7.6175.160.3-102.5000114.1L111 R115 H131L111-F113 HydrophobicContact CB-CD1 4.09Å; L111-F113 HydrophobicContact CB-CE1 3.7Å; L111-F113 HydrophobicContact CB-CE2 4.39Å; L111-F113 HydrophobicContact CB-CZ 3.87Å; L111-F113 HydrophobicContact CD1-CE1 3.7Å; L111-F113 HydrophobicContact CD1-CE2 4.44Å; L111-F113 HydrophobicContact CD1-CZ 3.47Å; L111-F113 VanDerWaalsContact CD1-CZ 3.47Å; L111-F113 HydrophobicContact CG-CE1 4.31Å; L111-F113 HydrophobicContact CG-CZ 4.32Å; L111-F113 PolarHBondContact O-N 3.33Å; L111-F113 VanDerWaalsContact O-N 3.07Å; F113-R115 PolarHBondContact O-N 2.97Å; F113-H131 AromaticContact CE2-CD2 3.79Å; F113-H131 AromaticContact CE2-NE2 3.74Å
114C97Very high94.9Very high11 Ų1169.3 Ų69.37%0.07435%0.345CS..  trans-72113.4175.7-1770000109.9L111 D112 P117 H131L111-C114 WeakPolarHBondContact O-CB 3.39Å; L111-C114 PolarHBondContact O-N 2.77Å; D112-C114 VanDerWaalsContact C-N 3.33Å; C114-P117 WeakPolarHBondContact O-CD 3.47Å; C114-H131 HydrophobicContact CB-CB 4.04Å
115R96.6Very high95.2Very high204 Ų20468.7 Ų68.777%0.7734%0.34SS*.SBendtrans-80.2-17.9-178.2-60.8-176.1-176.9-178.30.3114.5C69 F113 P117C69-R115 PolarHBondContact SG-N 3.5Å; F113-R115 PolarHBondContact O-N 2.97Å; R115-P117 VanDerWaalsContact C-CD 3.42Å
116F97.4Very high95.5Very high64 Ų6465.6 Ų65.628%0.28133%0.326SS..SBendtrans-129.549.6-177-57.3-80.2000112.4C69 T71 E122 E124 C126C69-F116 HydrophobicContact CB-CD2 3.86Å; T71-F116 HydrophobicContact CG2-CB 3.85Å; T71-F116 HydrophobicContact CG2-CD2 3.67Å; T71-F116 HydrophobicContact CG2-CE2 4.44Å; T71-F116 HydrophobicContact CG2-CG 3.86Å; F116-E122 HydrophobicContact CD1-CB 4.43Å; F116-E124 HydrophobicContact CD1-CB 4.1Å; F116-C126 HydrophobicContact CB-CB 4.22Å; F116-C126 WeakPolarHBondContact O-CB 3.37Å; F116-C126 PolarHBondContact O-N 2.87Å
117P97Very high95.7Very high17 Ų1763.8 Ų63.811%0.1132%0.317CS..  trans-69.5151.4-17933.8-34.8000109.5P110 C114 R115 S119 A120P110-P117 HydrophobicContact CB-CB 3.49Å; P110-P117 VanDerWaalsContact CB-CB 3.49Å; P110-P117 HydrophobicContact CG-CB 3.9Å; C114-P117 WeakPolarHBondContact O-CD 3.47Å; R115-P117 VanDerWaalsContact C-CD 3.42Å; P117-S119 PolarHBondContact O-N 3.15Å; P117-S119 VanDerWaalsContact O-N 3.1Å; P117-A120 HydrophobicContact CG-CB 3.81Å; P117-A120 PolarHBondContact O-N 3.33Å
118F94.7Very high95.8Very high30 Ų3063.3 Ų63.313%0.13232%0.315CS..G310 helixtrans-57.4-33-176.7-178.2-99.3000113.4R74 L88 H90 A120 K121 V125R74-F118 VanDerWaalsContact NH1-CE2 3.27Å; R74-F118 PolarHBondContact NH1-O 3.18Å; R74-F118 PolarHBondContact NH2-O 2.86Å; L88-F118 HydrophobicContact CD1-CE1 4.11Å; L88-F118 HydrophobicContact CD1-CZ 4.36Å; L88-F118 HydrophobicContact CD2-CE1 4.11Å; L88-F118 HydrophobicContact CD2-CE2 3.96Å; L88-F118 HydrophobicContact CD2-CZ 3.51Å; L88-F118 HydrophobicContact CG-CZ 4.46Å; H90-F118 WeakPolarHBondContact CE1-CB 3.33Å; H90-F118 AromaticContact CE1-CD1 3.44Å; H90-F118 VanDerWaalsContact CE1-CD1 3.44Å; H90-F118 WeakPolarHBondContact CE1-CD1 3Å; H90-F118 AromaticContact CE1-CD2 3.87Å; H90-F118 AromaticContact CE1-CG 3.24Å; H90-F118 WeakPolarHBondContact CE1-CG 3.22Å; H90-F118 WeakPolarHBondContact ND1-CB 3.12Å; H90-F118 AromaticContact ND1-CD2 3.73Å; H90-F118 AromaticContact ND1-CG 3.46Å; H90-F118 WeakPolarHBondContact ND1-CG 3.46Å; F118-A120 VanDerWaalsContact C-N 3.33Å; F118-A120 PolarHBondContact O-N 3.29Å; F118-K121 PolarHBondContact O-N 2.78Å; F118-V125 HydrophobicContact CB-CG1 4.34Å; F118-V125 HydrophobicContact CD2-CG1 3.97Å; F118-V125 HydrophobicContact CD2-CG2 4Å
119S93.1Very high95.8Very high72 Ų7262.6 Ų62.650%0.50331%0.311SS..G310 helixtrans-63.7-26.2176.3480000114.9P117 K121P117-S119 PolarHBondContact O-N 3.15Å; P117-S119 VanDerWaalsContact O-N 3.1Å; S119-K121 PolarHBondContact O-N 3.34Å
120A94Very high95.9Very high49 Ų4959.2 Ų59.241%0.40530%0.296SS..G310 helixtrans-72.9-6.3-179.900000113.9P117 F118 E122P117-A120 HydrophobicContact CG-CB 3.81Å; P117-A120 PolarHBondContact O-N 3.33Å; F118-A120 VanDerWaalsContact C-N 3.33Å; F118-A120 PolarHBondContact O-N 3.29Å; A120-E122 HydrophobicContact CB-CG 4.14Å; A120-E122 PolarHBondContact O-N 2.92Å
121K91Very high96Very high93 Ų9357.2 Ų57.240%0.40428%0.283SS..  trans60.52179.1-62.8-176.6175.6-176.40116.8R74 F118 S119 N199 F200R74-K121 PolarHBondContact NE-O 2.97Å; R74-K121 VanDerWaalsContact NH2-CA 3.3Å; F118-K121 PolarHBondContact O-N 2.78Å; S119-K121 PolarHBondContact O-N 3.34Å; K121-N199 PolarHBondContact NZ-O 3.01Å; K121-F200 VanDerWaalsContact CE-CE1 3.4Å; K121-F200 VanDerWaalsContact NZ-CE1 3.29Å
122E93.1Very high96Very high93 Ų9355.4 Ų55.444%0.43527%0.273SS..  trans-49.7155.9177.2-74.6-58.6156.500116.1R74 F116 A120 E124R74-E122 PolarHBondContact NE-O 3.1Å; R74-E122 PolarHBondContact NH2-O 3.11Å; F116-E122 HydrophobicContact CD1-CB 4.43Å; A120-E122 HydrophobicContact CB-CG 4.14Å; A120-E122 PolarHBondContact O-N 2.92Å; E122-E124 PolarHBondContact O-N 2.74Å; E122-E124 VanDerWaalsContact O-N 3.11Å
123N95.2Very high96Very high140 Ų14051.6 Ų51.675%0.74925%0.25SC*.SBendtrans-60-20.5177.8-71.3-50.6000113.8R74R74-N123 PolarHBondContact N-O 2.78Å
124E95.8Very high96Very high50 Ų5048.6 Ų48.623%0.23424%0.235CC..EExtended strand (participates in β ladder)trans-113.8151.4170.7-70-155.988.200111.5K49 T71 I72 F116 E122K49-E124 IonicContact NZ-OE1 2.68Å; K49-E124 PolarHBondContact NZ-OE1 2.87Å; K49-E124 IonicContact NZ-OE2 3.53Å; K49-E124 PolarHBondContact NZ-OE2 3.5Å; T71-E124 VanDerWaalsContact CB-OE1 3.32Å; T71-E124 WeakPolarHBondContact CB-OE1 3.44Å; T71-E124 HydrophobicContact CG2-CB 4.29Å; T71-E124 VanDerWaalsContact OG1-CD 3.25Å; T71-E124 PolarHBondContact OG1-OE1 3.49Å; I72-E124 WeakPolarHBondContact O-CA 3.26Å; F116-E124 HydrophobicContact CD1-CB 4.1Å; E122-E124 PolarHBondContact O-N 2.74Å; E122-E124 VanDerWaalsContact O-N 3.11Å
125V97Very high95.9Very high0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-124.6126.5176.5175.50000109.1T71 I72 R74 P89 F118T71-V125 CarbonylContact C-O 3.55Å; T71-V125 VanDerWaalsContact CA-O 3.26Å; T71-V125 WeakPolarHBondContact CA-O 3.24Å; I72-V125 PolarHBondContact N-O 3.15Å; I72-V125 PolarHBondContact O-N 2.86Å; R74-V125 HydrophobicContact CB-CG2 4.07Å; R74-V125 HydrophobicContact CG-CG2 4.17Å; P89-V125 HydrophobicContact CB-CG1 4.24Å; F118-V125 HydrophobicContact CB-CG1 4.34Å; F118-V125 HydrophobicContact CD2-CG1 3.97Å; F118-V125 HydrophobicContact CD2-CG2 4Å
126C98Very high95.5Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-68.8133.9173.2-167.90000111.1V70 F116 Y132V70-C126 CarbonylContact O-C 3.6Å; V70-C126 WeakPolarHBondContact O-CA 3.32Å; F116-C126 HydrophobicContact CB-CB 4.22Å; F116-C126 WeakPolarHBondContact O-CB 3.37Å; F116-C126 PolarHBondContact O-N 2.87Å; C126-Y132 PolarHBondContact O-OH 2.8Å
127I97.7Very high94.9Very high0 Ų048 Ų480%025%0.25CS..  trans-122.62.6177.663.272.4000113L42 L56 V70 I72 P89 Y93 P129L42-I127 HydrophobicContact CD1-CD1 4.1Å; L42-I127 HydrophobicContact CD1-CG1 4.04Å; L42-I127 HydrophobicContact CD2-CD1 3.91Å; L56-I127 HydrophobicContact CD1-CD1 4.15Å; L56-I127 HydrophobicContact CD2-CD1 4.22Å; V70-I127 HydrophobicContact CB-CD1 3.99Å; V70-I127 HydrophobicContact CG1-CD1 3.53Å; V70-I127 HydrophobicContact CG1-CG1 4.24Å; V70-I127 PolarHBondContact O-N 2.69Å; I72-I127 HydrophobicContact CD1-CG2 4.29Å; I72-I127 HydrophobicContact CG1-CG2 4.11Å; I72-I127 HydrophobicContact CG2-CG1 4.33Å; P89-I127 HydrophobicContact CB-CG2 3.88Å; Y93-I127 HydrophobicContact CD2-CB 3.6Å; Y93-I127 HydrophobicContact CD2-CG1 4.31Å; Y93-I127 HydrophobicContact CD2-CG2 3.58Å; Y93-I127 HydrophobicContact CE2-CB 4.38Å; Y93-I127 HydrophobicContact CE2-CG2 4.08Å; Y93-I127 HydrophobicContact CG-CB 4.19Å; I127-P129 WeakPolarHBondContact O-CD 3.37Å
128N97.7Very high94.4Very high0 Ų050 Ų500%026%0.263CS..  trans-62.5116.5169.4179.1-17.5000108.4S67 E68 V70 Y130 H131S67-N128 PolarHBondContact OG-ND2 2.95Å; E68-N128 PolarHBondContact O-ND2 3.05Å; V70-N128 HydrophobicContact CB-CB 4.21Å; V70-N128 HydrophobicContact CG2-CB 4.31Å; N128-Y130 PolarHBondContact O-N 3.42Å; N128-Y130 PolarHBondContact OD1-N 2.62Å; N128-H131 HydrophobicContact CB-CB 4.36Å; N128-H131 VanDerWaalsContact CG-CD2 3.45Å; N128-H131 PolarHBondContact ND2-CD2 2.93Å; N128-H131 PolarHBondContact ND2-NE2 3.08Å; N128-H131 WeakPolarHBondContact O-CB 3.46Å; N128-H131 PolarHBondContact O-N 3.33Å; N128-H131 VanDerWaalsContact O-N 3.08Å
129P97.4Very high94.1Very high0 Ų055.6 Ų55.60%030%0.299CS..G310 helixtrans-72.4-13.1-172.432.5-38000113L60 W97 R98 I127L60-P129 HydrophobicContact CD2-CG 3.88Å; W97-P129 HydrophobicContact CB-CB 4.41Å; W97-P129 HydrophobicContact CB-CG 4.03Å; W97-P129 HydrophobicContact CE3-CG 4.04Å; R98-P129 WeakPolarHBondContact CD-O 3.21Å; R98-P129 HydrophobicContact CG-CB 4.06Å; R98-P129 PolarHBondContact NH1-O 3.03Å; I127-P129 WeakPolarHBondContact O-CD 3.37Å
130Y97.6Very high94.1Very high44 Ų4453.4 Ų53.417%0.17328%0.282CS..G310 helixtrans-89.41.3173.1-53.7-79.3000113.3A59 L60 P63 L111 N128A59-Y130 HydrophobicContact CB-CD2 4.4Å; A59-Y130 WeakPolarHBondContact O-CD2 3.33Å; A59-Y130 WeakPolarHBondContact O-CE2 3.23Å; L60-Y130 HydrophobicContact CD2-CE2 4.14Å; P63-Y130 HydrophobicContact CB-CE1 3.75Å; L111-Y130 VanDerWaalsContact CD1-O 3.3Å; L111-Y130 WeakPolarHBondContact CD1-O 3.34Å; N128-Y130 PolarHBondContact O-N 3.42Å; N128-Y130 PolarHBondContact OD1-N 2.62Å
131H97.9Very high94Very high2 Ų254.4 Ų54.41%0.00928%0.284CS..G310 helixtrans-89.16.5170.3-77.6-142.2000112.6S67 E68 C69 P110 L111 F113 C114 N128S67-H131 PolarHBondContact O-CE1 3.23Å; S67-H131 PolarHBondContact O-NE2 3.32Å; E68-H131 VanDerWaalsContact C-CE1 3.44Å; E68-H131 PolarHBondContact O-CE1 3.11Å; E68-H131 PolarHBondContact O-NE2 3.4Å; C69-H131 PolarHBondContact N-CE1 3.41Å; C69-H131 PolarHBondContact SG-CE1 3.49Å; C69-H131 PolarHBondContact SG-ND1 3.3Å; P110-H131 WeakPolarHBondContact CA-O 3.48Å; L111-H131 PolarHBondContact N-O 2.59Å; F113-H131 AromaticContact CE2-CD2 3.79Å; F113-H131 AromaticContact CE2-NE2 3.74Å; C114-H131 HydrophobicContact CB-CB 4.04Å; N128-H131 HydrophobicContact CB-CB 4.36Å; N128-H131 VanDerWaalsContact CG-CD2 3.45Å; N128-H131 PolarHBondContact ND2-CD2 2.93Å; N128-H131 PolarHBondContact ND2-NE2 3.08Å; N128-H131 WeakPolarHBondContact O-CB 3.46Å; N128-H131 PolarHBondContact O-N 3.33Å; N128-H131 VanDerWaalsContact O-N 3.08Å
132Y97.6Very high94Very high4 Ų452.4 Ų52.42%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-131.2150.1178.1-59.9-90000109.9H90 R98 L108 K109 P110 C126H90-Y132 HydrophobicContact CB-CE1 4.04Å; H90-Y132 HydrophobicContact CB-CE2 3.76Å; H90-Y132 VanDerWaalsContact CB-CZ 3.46Å; H90-Y132 WeakPolarHBondContact CB-OH 3.43Å; H90-Y132 AromaticContact CD2-CE1 3.79Å; R98-Y132 PolarHBondContact NH1-O 2.57Å; L108-Y132 HydrophobicContact CB-CD1 4.36Å; K109-Y132 CarbonylContact O-C 3.54Å; K109-Y132 VanDerWaalsContact O-CA 3.31Å; K109-Y132 WeakPolarHBondContact O-CA 3.21Å; P110-Y132 HydrophobicContact CB-CD1 4.28Å; P110-Y132 HydrophobicContact CB-CE1 4.24Å; C126-Y132 PolarHBondContact O-OH 2.8Å
133Q95.9Very high94Very high93 Ų9348 Ų4844%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-117.9146.7167.558-174.8-10.900109.1L108 K109 L111L108-Q133 WeakPolarHBondContact CA-O 3.48Å; K109-Q133 HydrophobicContact CB-CG 3.97Å; K109-Q133 PolarHBondContact N-O 2.89Å; K109-Q133 PolarHBondContact O-N 3.14Å; L111-Q133 HydrophobicContact CD2-CB 4Å; L111-Q133 HydrophobicContact CD2-CG 3.82Å
134R95.4Very high93.8Very high55 Ų5545.1 Ų45.121%0.20824%0.244CC..EExtended strand (participates in β ladder)trans-77147.4173-162.4173.6-171.3179.2-0.9109.2W99 D101 E107 E136W99-R134 HydrophobicContact CD2-CB 4.21Å; W99-R134 HydrophobicContact CE3-CB 4.47Å; W99-R134 HydrophobicContact CH2-CB 3.93Å; W99-R134 HydrophobicContact CZ2-CB 3.63Å; W99-R134 HydrophobicContact CZ3-CB 4.35Å; D101-R134 VanDerWaalsContact CG-NH1 3.29Å; D101-R134 IonicContact OD1-CZ 2.7Å; D101-R134 IonicContact OD1-NH1 2.6Å; D101-R134 PolarHBondContact OD1-NH1 2.7Å; D101-R134 VanDerWaalsContact OD1-NH1 3.11Å; D101-R134 IonicContact OD1-NH2 2.73Å; D101-R134 IonicContact OD2-CZ 2.71Å; D101-R134 IonicContact OD2-NH1 3.56Å; D101-R134 PolarHBondContact OD2-NH1 2.83Å; D101-R134 IonicContact OD2-NH2 3.9Å; D101-R134 PolarHBondContact OD2-NH2 3.41Å; E107-R134 HydrophobicContact CB-CG 4.47Å; E107-R134 CarbonylContact O-C 3.58Å; E107-R134 WeakPolarHBondContact O-CA 3.46Å; E107-R134 WeakPolarHBondContact O-CG 3.42Å; E107-R134 IonicContact OE2-CZ 3.11Å; E107-R134 IonicContact OE2-NE 3.79Å; E107-R134 PolarHBondContact OE2-NE 3.15Å; E107-R134 IonicContact OE2-NH2 3.89Å; E107-R134 PolarHBondContact OE2-NH2 3.22Å; R134-E136 PolarHBondContact O-N 3.37Å
135V93.8Very high93.5Very high27 Ų2742.8 Ų42.816%0.16423%0.234CC..  trans-79105.3171.4-1770000108.3H106 E107 K109 V329H106-V135 WeakPolarHBondContact O-CG2 3.46Å; E107-V135 PolarHBondContact O-N 3.39Å; K109-V135 HydrophobicContact CD-CG2 3.88Å; K109-V135 HydrophobicContact CG-CG2 3.81Å; V135-V329 HydrophobicContact CB-CG2 3.81Å; V135-V329 HydrophobicContact CG1-CG2 3.92Å; V135-V329 HydrophobicContact CG2-CG2 4.42Å
136E88Confident92.7Very high171 Ų17143.8 Ų43.880%0.79924%0.24SC*.PPolyproline II helixtrans-78.1146.2175.4-62.7178.4176.600110.8R134R134-E136 PolarHBondContact O-N 3.37Å
137S85.7Confident91.4Very high69 Ų6950.6 Ų50.648%0.48327%0.266SS..PPolyproline II helixtrans-79.5130.3170.6-64.70000109.7G331S137-G331 PolarHBondContact OG-N 3.26Å
138P86.8Confident89.6Confident58 Ų5857.2 Ų57.238%0.37730%0.296SS..PPolyproline II helixtrans-66.514217928.9-33.9000110.4L140 G330P138-L140 PolarHBondContact O-N 2.92Å; P138-L140 VanDerWaalsContact O-N 3.13Å; P138-G330 WeakPolarHBondContact CD-O 3.33Å
139V88.6Confident87.1Confident148 Ų14862 Ų6290%0.89733%0.33SS*.  trans-65.9113.8172.8179.40000108.6
140L92.1Very high84.4Confident26 Ų2669.9 Ų69.914%0.13637%0.367CS..PPolyproline II helixtrans-78.8133180-59.8170.7000109.8P138 Y255 N375 Q376 A379 W436P138-L140 PolarHBondContact O-N 2.92Å; P138-L140 VanDerWaalsContact O-N 3.13Å; L140-Y255 HydrophobicContact CD1-CD1 3.93Å; L140-Y255 HydrophobicContact CD1-CD2 4.08Å; L140-Y255 HydrophobicContact CD1-CE1 4.41Å; L140-Y255 HydrophobicContact CD1-CG 3.74Å; L140-N375 HydrophobicContact CD1-CB 3.85Å; L140-N375 HydrophobicContact CD2-CB 4.35Å; L140-Q376 HydrophobicContact CD2-CB 4.25Å; L140-A379 HydrophobicContact CD2-CB 4.37Å; L140-W436 HydrophobicContact CB-CH2 3.87Å; L140-W436 HydrophobicContact CB-CZ3 4.36Å; L140-W436 HydrophobicContact CD1-CH2 4.3Å; L140-W436 HydrophobicContact CD1-CZ3 3.95Å
141P91Very high81.4Confident69 Ų6977.6 Ų77.645%0.44840%0.397SS..PPolyproline II helixtrans-68.114917829.4-35000110.9W436P141-W436 VanDerWaalsContact O-CZ2 3.31Å; P141-W436 WeakPolarHBondContact O-CZ2 3.42Å
142P92.4Very high78.5Confident52 Ų5283.2 Ų83.234%0.33843%0.434SS..PPolyproline II helixtrans-63.9140.4174.325.4-33000111.7P252 V253P142-P252 HydrophobicContact CB-CB 3.65Å; P142-P252 HydrophobicContact CG-CB 4.12Å; P142-V253 WeakPolarHBondContact CA-O 3.35Å
143V92.3Very high75.5Confident0 Ų088 Ų880%047%0.467CS..EExtended strand (participates in β ladder)trans-75.4127167.3173.40000108.1V145 V253 L382 V386 W436 V440V143-V145 HydrophobicContact CG1-CG2 4.32Å; V143-V253 PolarHBondContact N-O 2.74Å; V143-V253 PolarHBondContact O-N 2.88Å; V143-L382 HydrophobicContact CG1-CG 4.39Å; V143-L382 HydrophobicContact CG2-CB 4.41Å; V143-L382 HydrophobicContact CG2-CD2 3.88Å; V143-L382 HydrophobicContact CG2-CG 3.81Å; V143-V386 HydrophobicContact CG1-CG2 3.5Å; V143-W436 HydrophobicContact CG2-CH2 4.42Å; V143-W436 HydrophobicContact CG2-CZ2 3.66Å; V143-V440 HydrophobicContact CB-CG2 3.97Å; V143-V440 HydrophobicContact CG1-CG1 4.36Å; V143-V440 HydrophobicContact CG1-CG2 3.7Å; V143-V440 HydrophobicContact CG2-CG2 4.45Å
144L91.7Very high72.6Confident80 Ų8091.5 Ų91.542%0.41949%0.488SS..EExtended strand (participates in β ladder)trans-92.5111.4179.2-64.3-174.9000110.6M250 P252L144-M250 HydrophobicContact CB-CB 4.21Å; L144-M250 HydrophobicContact CB-SD 4.01Å; L144-M250 HydrophobicContact CD1-SD 4.15Å; L144-P252 HydrophobicContact CD2-CB 4.01Å
145V88.7Confident69.9Low1 Ų193.9 Ų93.91%0.00651%0.514CS..EExtended strand (participates in β ladder)trans-97.8119179.6-170.50000110.5V143 R147 M250 H251 V253 V386 V440 Q443 M444V143-V145 HydrophobicContact CG1-CG2 4.32Å; V145-R147 PolarHBondContact O-N 3.46Å; V145-M250 CarbonylContact O-C 3.55Å; V145-M250 WeakPolarHBondContact O-CA 3.09Å; V145-H251 PolarHBondContact N-O 2.77Å; V145-H251 PolarHBondContact O-N 2.85Å; V145-V253 HydrophobicContact CG2-CG2 3.74Å; V145-V386 HydrophobicContact CG1-CG1 4.31Å; V145-V440 HydrophobicContact CG2-CB 4.37Å; V145-V440 HydrophobicContact CG2-CG1 3.93Å; V145-V440 HydrophobicContact CG2-CG2 4.23Å; V145-Q443 HydrophobicContact CB-CB 4.12Å; V145-Q443 HydrophobicContact CG1-CB 3.79Å; V145-Q443 HydrophobicContact CG2-CB 4.36Å; V145-M444 HydrophobicContact CG1-CG 3.65Å
146P81.3Confident67.2Low21 Ų2198.6 Ų98.614%0.13654%0.542CS..EExtended strand (participates in β ladder)trans-67125.6173.6-1629.7000110.5H148 M250P146-H148 PolarHBondContact O-N 3.27Å; P146-M250 HydrophobicContact CG-CE 4.48Å
147R69.9Low64.9Low142 Ų14295.9 Ų95.954%0.53654%0.537SS..PPolyproline II helixtrans-68.3122.2167.6-89.8178.9176.5166.7-1.5110.7V145 S149 T249 H251V145-R147 PolarHBondContact O-N 3.46Å; R147-S149 PolarHBondContact O-N 3.17Å; R147-T249 PolarHBondContact N-O 3.47Å; R147-H251 VanDerWaalsContact CD-CD2 3.45Å; R147-H251 WeakPolarHBondContact CD-CD2 3.4Å; R147-H251 WeakPolarHBondContact CD-NE2 3.37Å; R147-H251 PolarHBondContact NE-CD2 3.04Å; R147-H251 PolarHBondContact NE-NE2 2.86Å; R147-H251 PolarHBondContact NH1-CE1 2.81Å; R147-H251 PolarHBondContact NH1-NE2 3.13Å; R147-H251 VanDerWaalsContact NH1-NE2 3.15Å
148H59.5Low62.5Low139 Ų13999.2 Ų99.264%0.64456%0.555SS**  trans-75.5110.7151.5-68.6-45.8000108.1P146 E150P146-H148 PolarHBondContact O-N 3.27Å; H148-E150 PolarHBondContact O-N 2.91Å
149S46.5Very low60.3Low100 Ų100101.8 Ų101.870%0.69957%0.572SS**  trans-67111.5173.7-60.10000109.5R147 Y151R147-S149 PolarHBondContact O-N 3.17Å; S149-Y151 PolarHBondContact O-N 2.89Å
150E40.9Very low58.1Low167 Ų167100.4 Ų100.478%0.7857%0.568SS**SBendtrans-73.839.5-176.3-62.2-171.7125.100114.4H148H148-E150 PolarHBondContact O-N 2.91Å
151Y33Very low55.7Low206 Ų206105.3 Ų105.381%0.80860%0.602SS**  trans-137.9105169.7-70-77.9000109.6S149 S153S149-Y151 PolarHBondContact O-N 2.89Å; Y151-S153 PolarHBondContact O-N 3.28Å
152P37.6Very low53.4Low120 Ų120105.7 Ų105.778%0.77962%0.618SS**  trans-61.3117.5159.1-12.327.2000107.2L154P152-L154 PolarHBondContact O-N 3.43Å
153S33.7Very low51.2Low103 Ų103111 Ų11172%0.7264%0.643SS**  trans-64.2105170.5440000108.7Y151 S155Y151-S153 PolarHBondContact O-N 3.28Å; S153-S155 PolarHBondContact O-N 3.43Å
154L36Very low48.9Very low167 Ų167116.3 Ų116.387%0.87468%0.68SS**  trans-69.174.5171.7-87.3156.5000109.5P152 T156P152-L154 PolarHBondContact O-N 3.43Å; L154-T156 PolarHBondContact O-N 3.33Å; L154-T156 VanDerWaalsContact O-N 3.08Å
155S38Very low46.6Very low106 Ų106120.9 Ų120.974%0.74170%0.699SS**  trans-65.6105.3174.6-66.20000109.5S153 V157S153-S155 PolarHBondContact O-N 3.43Å; S155-V157 PolarHBondContact O-N 3.05Å
156T38.5Very low44.3Very low125 Ų125126.3 Ų126.377%0.76774%0.735SS**  trans-56.1114.6-170.6-53.60000114L154L154-T156 PolarHBondContact O-N 3.33Å; L154-T156 VanDerWaalsContact O-N 3.08Å
157V39Very low42.3Very low114 Ų114129.2 Ų129.269%0.69177%0.77SS**  trans34.5112.5139.4-171.90000118.1S155S155-V157 PolarHBondContact O-N 3.05Å
158T35.4Very low41Very low140 Ų140127.9 Ų127.986%0.85978%0.782SS**  trans-148.4105.71437.90000110.5
159P41Very low40.1Very low112 Ų112127 Ų12773%0.72779%0.791SS**  trans-96.1114.2176.633.8-29.2000111.5
160S41.1Very low39.6Very low118 Ų118126 Ų12683%0.82580%0.797SS**  trans-81.5124.9170.8-60.50000110.6
161P41.7Very low39.7Very low130 Ų130127 Ų12784%0.84480%0.804SS**  trans-78.9122.7178.330.2-32.8000111.7
162G42.7Very low40.1Very low76 Ų76123.1 Ų123.178%0.78481%0.807SS**  trans-124.8129.3175.500000111.7
163L46.4Very low40Very low163 Ų163123.5 Ų123.585%0.85381%0.812SS**  trans-73.3145.7-172.2-10162.6000114.4
164S44.3Very low40.3Very low112 Ų112123.9 Ų123.978%0.78382%0.815SS**  trans64.6155.7156.265.70000117
165H42.7Very low40.3Very low177 Ų177128.1 Ų128.182%0.81982%0.82SS**  cis-142.6165.716.2-163.649.7000111.3
166C42.2Very low40.2Very low114 Ų114128.2 Ų128.277%0.7782%0.821SS**  trans-92139.3-17755.30000113.1
167G37.5Very low40.1Very low83 Ų83127 Ų12786%0.85682%0.823SS**  trans-154.3141.317100000109.8
168S42.5Very low40.1Very low114 Ų114127.1 Ų127.180%0.79783%0.829SS**  trans-116.6163.4-164.9-165.90000113.8
169S40.7Very low40.1Very low119 Ų119128.2 Ų128.283%0.83283%0.83SS**  trans63.4129.5162.860.80000118.7
170G37.3Very low40Very low80 Ų80131 Ų13183%0.82584%0.838SS**  trans167.659.5176.900000114.7
171M43.5Very low39.7Very low187 Ų187128.7 Ų128.792%0.92183%0.832SS**  trans-77.2125.7174.1-67.9167.261.900111.4
172S39.8Very low39.5Very low125 Ų125131.3 Ų131.387%0.87484%0.835SS**  trans-167.7136.1149-860000111.8
173S36.4Very low39.4Very low128 Ų128136.1 Ų136.190%0.89584%0.835SS**  trans-99.1132.1179.9-58.70000111.4
174S38.8Very low38.7Very low112 Ų112134.2 Ų134.278%0.78383%0.832SS**  trans-143.2118.5158.951.50000110.8
175R36.1Very low38.2Very low255 Ų255137 Ų13796%0.96284%0.835SS**  trans-90.6111.4172-71.5178.1175.2174.8-2.9108.4
176S36.8Very low37.9Very low109 Ų109134.4 Ų134.476%0.76283%0.831SS**  trans-111.198.8166.9-660000108.7
177A37.2Very low37.3Very low99 Ų99137.1 Ų137.182%0.81884%0.838SS**  trans-68.4131.3175.300000109.9N179A177-N179 PolarHBondContact O-N 2.85Å
178S37.8Very low37Very low117 Ų117138 Ų13882%0.81883%0.831SS**  trans-70.489.7-178.7-52.30000110.9L180S178-L180 PolarHBondContact O-N 2.97Å
179N34.7Very low36.6Very low163 Ų163137.4 Ų137.487%0.87283%0.833SS**  trans-69.199.5178.2-150.325.8000109.2A177 G181A177-N179 PolarHBondContact O-N 2.85Å; N179-G181 PolarHBondContact O-N 3.06Å
180L40.9Very low36.2Very low171 Ų171137.2 Ų137.290%0.89582%0.821SS**PPolyproline II helixtrans-64.7117.7-178.9-95.9150.5000109.8S178S178-L180 PolarHBondContact O-N 2.97Å
181G33.7Very low36.4Very low68 Ų68136.7 Ų136.770%0.70180%0.803SS**PPolyproline II helixtrans-65.5137-16500000114.4N179N179-G181 PolarHBondContact O-N 3.06Å
182M36.9Very low36.4Very low185 Ų185138.4 Ų138.491%0.91180%0.8SS**PPolyproline II helixtrans-49.2143.3163.7-81.7-77.7178.800111.9
183F41.1Very low36.2Very low178 Ų178138.2 Ų138.278%0.78179%0.79SS**PPolyproline II helixtrans-63.7134.1158.7-67.9-83.7000109.1M185F183-M185 PolarHBondContact O-N 3.22Å
184P31.9Very low36.8Very low123 Ų123132.8 Ų132.880%0.79975%0.751SS**PPolyproline II helixtrans-71119.2176.529-33000109.7
185M34.4Very low37.1Very low171 Ų171134.2 Ų134.284%0.84275%0.75SS**  trans-113.1117.7168.7-70.1-65.3173.100108.4F183F183-M185 PolarHBondContact O-N 3.22Å
186T35.9Very low37.3Very low121 Ų121124.5 Ų124.574%0.74271%0.714SS**  trans-74137.1175.147.10000110.2S188T186-S188 PolarHBondContact O-N 2.93Å; T186-S188 PolarHBondContact O-OG 2.72Å
187D28.8Very low37.3Very low172 Ų172124.3 Ų124.392%0.9271%0.71SS**  trans-50.5128.1168.8-79.7-56.1000110.7
188S32.8Very low37.1Very low100 Ų100125.7 Ų125.770%0.69970%0.699SS**  trans-144.3130.2179.5-730000108.7T186T186-S188 PolarHBondContact O-N 2.93Å; T186-S188 PolarHBondContact O-OG 2.72Å
189A32.5Very low36.9Very low102 Ų102125.8 Ų125.884%0.84369%0.69SS**PPolyproline II helixtrans-64.1143-167.800000112.9P191A189-P191 WeakPolarHBondContact O-CD 3.38Å
190M33.2Very low36.8Very low115 Ų115125.6 Ų125.657%0.56768%0.682SS**PPolyproline II helixtrans-55.4121.2-176.4-69.9-69.8-176.200112.7
191P42.3Very low36.4Very low69 Ų69121.6 Ų121.645%0.44867%0.668SS.*PPolyproline II helixtrans-80.9125.7169.831.6-31.4000110.4A189 N193 F356A189-P191 WeakPolarHBondContact O-CD 3.38Å; P191-N193 PolarHBondContact O-N 2.8Å; P191-F356 HydrophobicContact CG-CE1 3.66Å; P191-F356 HydrophobicContact CG-CZ 4.19Å
192Y43.1Very low36.4Very low223 Ų223127 Ų12788%0.87568%0.675SS**SBendtrans-64.7-11.6164.9-84.6-101000112.7V194Y192-V194 VanDerWaalsContact C-N 3.35Å; Y192-V194 PolarHBondContact O-N 2.8Å
193N34.3Very low36Very low121 Ų121123.9 Ų123.965%0.64767%0.672SS**  trans-83.867.5-178.2-69.8-7000113P191 N195P191-N193 PolarHBondContact O-N 2.8Å; N193-N195 PolarHBondContact O-N 3.4Å
194V49.4Very low35.7Very low15 Ų15120.5 Ų120.59%0.09167%0.667CS.*  trans-73.1106.8137.5172.60000105.2Y192 Y196 F356 L370Y192-V194 VanDerWaalsContact C-N 3.35Å; Y192-V194 PolarHBondContact O-N 2.8Å; V194-Y196 VanDerWaalsContact C-N 3.28Å; V194-Y196 HydrophobicContact CB-CE1 4.33Å; V194-Y196 HydrophobicContact CB-CE2 4.26Å; V194-Y196 HydrophobicContact CG1-CD1 4.16Å; V194-Y196 HydrophobicContact CG1-CE1 3.73Å; V194-Y196 HydrophobicContact CG1-CE2 4.43Å; V194-Y196 WeakPolarHBondContact O-CD2 3.37Å; V194-Y196 WeakPolarHBondContact O-CE2 3.45Å; V194-Y196 PolarHBondContact O-N 3.43Å; V194-F356 HydrophobicContact CG2-CE2 3.92Å; V194-F356 HydrophobicContact CG2-CZ 4.16Å; V194-L370 HydrophobicContact CG1-CD1 3.6Å
195N44.9Very low35.8Very low141 Ų141120.5 Ų120.575%0.75467%0.67SS**  trans-80.776.7-169.4-158.370.7000110.9N193N193-N195 PolarHBondContact O-N 3.4Å
196Y40.5Very low36Very low51 Ų51119.3 Ų119.320%0.267%0.666CS.*  trans-51.9146179-52.9-78.3000111.3V194 H198 K363 C368V194-Y196 VanDerWaalsContact C-N 3.28Å; V194-Y196 HydrophobicContact CB-CE1 4.33Å; V194-Y196 HydrophobicContact CB-CE2 4.26Å; V194-Y196 HydrophobicContact CG1-CD1 4.16Å; V194-Y196 HydrophobicContact CG1-CE1 3.73Å; V194-Y196 HydrophobicContact CG1-CE2 4.43Å; V194-Y196 WeakPolarHBondContact O-CD2 3.37Å; V194-Y196 WeakPolarHBondContact O-CE2 3.45Å; V194-Y196 PolarHBondContact O-N 3.43Å; Y196-H198 PolarHBondContact O-N 2.95Å; Y196-K363 PolarHBondContact OH-O 3.29Å; Y196-C368 HydrophobicContact CD1-CB 3.94Å; Y196-C368 HydrophobicContact CE1-CB 4.27Å; Y196-C368 HydrophobicContact CG-CB 4.41Å
197P37.9Very low36.1Very low105 Ų105119 Ų11968%0.68267%0.667SS**  trans-68.977.3171.329-34.2000110.3N199P197-N199 PolarHBondContact O-N 2.94Å
198H32.9Very low36.8Very low129 Ų129116.6 Ų116.660%0.59766%0.661SS**  trans-82.779.6-161.1-155.3-62.3000112.1Y196 S201Y196-H198 PolarHBondContact O-N 2.95Å; H198-S201 PolarHBondContact CE1-OG 2.97Å
199N32.3Very low37Very low118 Ų118115.6 Ų115.663%0.63167%0.666SS**  trans-129.721.3179.7-141.27.7000114.8K121 P197K121-N199 PolarHBondContact NZ-O 3.01Å; P197-N199 PolarHBondContact O-N 2.94Å
200F32.1Very low37.2Very low160 Ų160118.1 Ų118.170%0.70267%0.665SS**  trans-129.452.3176.7-77.2-92000113.1K121K121-F200 VanDerWaalsContact CE-CE1 3.4Å; K121-F200 VanDerWaalsContact NZ-CE1 3.29Å
201S33.1Very low37.4Very low86 Ų86117.9 Ų117.960%0.60168%0.675SS**  trans-70.7145.7169.3-58.40000112.2H198H198-S201 PolarHBondContact CE1-OG 2.97Å
202H33.7Very low37.1Very low181 Ų181118.3 Ų118.384%0.83869%0.691SS**  trans-40.9144.3-175.1-53.5-84.7000117.7P204H202-P204 WeakPolarHBondContact O-CD 3.47Å
203S29.1Very low36.8Very low121 Ų121114.1 Ų114.185%0.84669%0.689SS**PPolyproline II helixtrans-72.8122159.8-54.30000110.6
204P33.8Very low37.1Very low106 Ų106112.8 Ų112.869%0.68869%0.689SS**PPolyproline II helixtrans-84.1139.1169.933.2-32.3000111.1H202H202-P204 WeakPolarHBondContact O-CD 3.47Å
205S34.7Very low36.4Very low123 Ų123118.3 Ų118.386%0.8672%0.723SS**PPolyproline II helixtrans-81.7122.6167.253.50000110.7
206L38.6Very low36Very low146 Ų146118.2 Ų118.276%0.76472%0.723SS**  trans-134.2153.2174.9-88.6168.1000107.3
207P37.7Very low35.9Very low115 Ų115120 Ų12075%0.74774%0.743SS**  -151.4-160.765.239.1-15.8000114.1
208P43.3Very low35.7Very low122 Ų122121.3 Ų121.379%0.79275%0.749SS**  -125166.4-62.836.3-22.4000112.9
209G36.9Very low36Very low78 Ų78121.4 Ų121.480%0.80476%0.758SS**  trans-156.684.7-179.300000116.7
210N37.1Very low35.9Very low156 Ų156120.6 Ų120.683%0.83477%0.768SS**  trans27.1131.4153.3-122.923.9000123.8
211S37.7Very low36Very low110 Ų110116.6 Ų116.677%0.76977%0.772SS**  trans66.8122.2141.3-570000122.2
212G36.1Very low36.2Very low77 Ų77117.8 Ų117.879%0.79478%0.778SS**  trans167.786.7163.100000117.8
213T36.7Very low36.1Very low136 Ų136115.9 Ų115.983%0.83477%0.772SS**  trans-39.8152153.234.40000114.9
214S39.9Very low36.4Very low92 Ų92119.2 Ų119.264%0.64377%0.774SS**  cis-164.8163.49.1-87.30000111.5
215T35.3Very low36.4Very low132 Ų132119.3 Ų119.381%0.8178%0.777SS**  trans52.8148.1149.150.80000120.1
216D37.3Very low36.6Very low139 Ų139121.5 Ų121.574%0.74378%0.779SS**  cis-156.9175.231.7-157.32.7000114.5
217S36.7Very low36.3Very low88 Ų88122.1 Ų122.162%0.61578%0.782SS**  trans-44.5162159.4-41.30000114.7
218T35.3Very low36.3Very low132 Ų132122 Ų12281%0.8179%0.785SS**  cis-161.4-159.6-12.822.90000105.6
219V37.5Very low36.1Very low132 Ų132121.3 Ų121.380%0.878%0.783SS**  cis-148.815911.3-170.80000107.7
220A31.6Very low35.9Very low100 Ų100124.9 Ų124.983%0.82678%0.783SS**  trans-100.913917100000112.6
221G34.4Very low36Very low77 Ų77125.8 Ų125.879%0.79479%0.787SS**  trans-134.4131.2177.700000111.9
222P35.8Very low35.8Very low111 Ų111129.6 Ų129.672%0.72179%0.793SS**  trans-107.8161.3-168.540.1-35.7000115.6
223I32.5Very low35.9Very low140 Ų140131 Ų13172%0.71879%0.791SS**  trans50.5120.6149.7-59157.9000118.2
224H36Very low35.6Very low191 Ų191128.1 Ų128.188%0.88479%0.788SS**  trans-145.4115.7136.1-98-68.9000111.3
225S33.2Very low35.6Very low109 Ų109134.2 Ų134.276%0.76280%0.798SS**  trans-99.8125.6168.1-55.80000108.9
226L38.1Very low35.6Very low169 Ų169137 Ų13789%0.88580%0.802SS**  trans-96.3114.4174.1-83.6163.8000109.8
227N32.2Very low35.4Very low158 Ų158136.9 Ų136.985%0.84581%0.807SS**  trans-118.3102.2174.3-168.523.6000107.9
228S38.6Very low35.4Very low113 Ų113140.7 Ų140.779%0.7982%0.815SS**  trans-89.7133.7-176.8-68.40000111.3
229S39Very low35.5Very low108 Ų108140.7 Ų140.776%0.75582%0.817SS**  trans-95.5155-165.147.40000114.8
230N33.3Very low35.7Very low153 Ų153140.3 Ų140.382%0.81881%0.811SS**  trans22.8119150.1-63.9-16.6000119.4
231L38.8Very low36.1Very low174 Ų174143.5 Ų143.591%0.91181%0.809SS**  trans-134.4112.7140.8-106.2163.6000109.2
232Q33.6Very low36.1Very low190 Ų190147.4 Ų147.489%0.88881%0.811SS**  trans-87.6127.5171.2-75.7177.9-30.700109.5
233S37.5Very low36.5Very low108 Ų108147.6 Ų147.676%0.75581%0.812SS**  trans-141.1121.615554.80000108.6
234G31.3Very low36.7Very low75 Ų75145.9 Ų145.977%0.77382%0.819SS**  trans-95.7132.5179.800000110.9
235Y38.9Very low36.9Very low220 Ų220141.9 Ų141.986%0.86381%0.812SS**  trans-128.4152.9163-81-76.2000110.6
236Q35.8Very low37.4Very low189 Ų189142.1 Ų142.188%0.88381%0.814SS**  trans-81.7146.9-158.6-67161.9-2700112.7
237T33.7Very low37.6Very low138 Ų138137 Ų13785%0.84780%0.802SS**  trans-70.1124.6173.147.30000111.7
238Q35.9Very low38.9Very low167 Ų167135.4 Ų135.478%0.7879%0.79SS**  trans-109.2129154.2-72.3-170.4-3.100109.2N240Q238-N240 PolarHBondContact O-N 3.08Å; Q238-N240 VanDerWaalsContact O-N 3.14Å
239P38.1Very low40.6Very low132 Ų132133.5 Ų133.586%0.85777%0.774SS**  trans-81.589.617632.3-32.3000109.8
240N41.2Very low42.6Very low125 Ų125132.4 Ų132.467%0.66876%0.757SS**  trans-100.893.5-174.7-150.919.9000112.7Q238Q238-N240 PolarHBondContact O-N 3.08Å; Q238-N240 VanDerWaalsContact O-N 3.14Å
241Q39.2Very low45.1Very low167 Ų167127.5 Ų127.578%0.7873%0.73SS**  trans50.9120.8146.3-59.1178.87.600119.1P243Q241-P243 WeakPolarHBondContact O-CD 3.31Å
242D35.8Very low47.7Very low158 Ų158122.8 Ų122.885%0.84571%0.709SS**  trans-58.1124.3174.2-56.9-82.6000112.8A244D242-A244 PolarHBondContact O-N 3.12Å; D242-A244 VanDerWaalsContact O-N 3.15Å
243P44.6Very low50.5Low116 Ų116114.1 Ų114.175%0.75367%0.669SS**  trans-70.5107.5157.829.6-29.7000107.4Q241 S245Q241-P243 WeakPolarHBondContact O-CD 3.31Å; P243-S245 PolarHBondContact O-N 3.37Å
244A35.6Very low53.2Low103 Ų103113.3 Ų113.385%0.85166%0.656SS**  trans-5798.4175.100000109.7D242D242-A244 PolarHBondContact O-N 3.12Å; D242-A244 VanDerWaalsContact O-N 3.15Å
245S39.6Very low56.2Low107 Ų107111.5 Ų111.575%0.74863%0.626SS**  trans-72.9137.3-167.456.60000110.8P243 G247P243-S245 PolarHBondContact O-N 3.37Å; S245-G247 PolarHBondContact O-N 3.06Å
246S44.4Very low58.8Low115 Ų115106.1 Ų106.180%0.80461%0.609SS**  trans-68.581.5166.939.40000108.5Q248S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 2.89Å
247G43.2Very low61.4Low61 Ų61101.5 Ų101.563%0.62959%0.588SS**  trans-64.373.7-169.300000114.3S245 T249S245-G247 PolarHBondContact O-N 3.06Å; G247-T249 PolarHBondContact O-N 2.9Å
248Q58.6Low64.3Low124 Ų12496.3 Ų96.358%0.57956%0.556SS**  trans-59.8109.1164-68.8-172.80.100107.8S246 M250S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 2.89Å; Q248-M250 PolarHBondContact O-N 2.92Å
249T74.1Confident67.1Low74 Ų7495.9 Ų95.945%0.45455%0.552SS.*  trans-66.7104.4176.746.80000108.4R147 G247 H251R147-T249 PolarHBondContact N-O 3.47Å; G247-T249 PolarHBondContact O-N 2.9Å; T249-H251 PolarHBondContact O-CD2 2.86Å
250M80.9Confident69.8Low84 Ų8493.8 Ų93.841%0.41453%0.527SS..EExtended strand (participates in β ladder)trans-86.6133.7176.8-69.8-172.7-177.600109.9L144 V145 P146 Q248L144-M250 HydrophobicContact CB-CB 4.21Å; L144-M250 HydrophobicContact CB-SD 4.01Å; L144-M250 HydrophobicContact CD1-SD 4.15Å; V145-M250 CarbonylContact O-C 3.55Å; V145-M250 WeakPolarHBondContact O-CA 3.09Å; P146-M250 HydrophobicContact CG-CE 4.48Å; Q248-M250 PolarHBondContact O-N 2.92Å
251H86.4Confident72.5Confident51 Ų5188.4 Ų88.424%0.23650%0.498CS..EExtended strand (participates in β ladder)trans-107.3125-178.4-77.1-84.9000111V145 R147 T249 V253 Q443V145-H251 PolarHBondContact N-O 2.77Å; V145-H251 PolarHBondContact O-N 2.85Å; R147-H251 VanDerWaalsContact CD-CD2 3.45Å; R147-H251 WeakPolarHBondContact CD-CD2 3.4Å; R147-H251 WeakPolarHBondContact CD-NE2 3.37Å; R147-H251 PolarHBondContact NE-CD2 3.04Å; R147-H251 PolarHBondContact NE-NE2 2.86Å; R147-H251 PolarHBondContact NH1-CE1 2.81Å; R147-H251 PolarHBondContact NH1-NE2 3.13Å; R147-H251 VanDerWaalsContact NH1-NE2 3.15Å; T249-H251 PolarHBondContact O-CD2 2.86Å; H251-V253 PolarHBondContact O-N 3.27Å; H251-Q443 VanDerWaalsContact CB-OE1 3.26Å
252P92.4Very high75.3Confident75 Ų7580.4 Ų80.449%0.48746%0.46SS..EExtended strand (participates in β ladder)trans-78.2119.618029.6-32.9000111.1P142 L144P142-P252 HydrophobicContact CB-CB 3.65Å; P142-P252 HydrophobicContact CG-CB 4.12Å; L144-P252 HydrophobicContact CD2-CB 4.01Å
253V93.1Very high78.2Confident7 Ų773.9 Ų73.94%0.04243%0.427CS..EExtended strand (participates in β ladder)trans-101.4105.6172.2-173.80000108.9P142 V143 V145 H251 W436 R439 V440P142-V253 WeakPolarHBondContact CA-O 3.35Å; V143-V253 PolarHBondContact N-O 2.74Å; V143-V253 PolarHBondContact O-N 2.88Å; V145-V253 HydrophobicContact CG2-CG2 3.74Å; H251-V253 PolarHBondContact O-N 3.27Å; V253-W436 PolarHBondContact O-NE1 2.86Å; V253-R439 HydrophobicContact CG1-CB 3.56Å; V253-V440 HydrophobicContact CB-CG2 4Å; V253-V440 HydrophobicContact CG1-CG2 3.99Å; V253-V440 HydrophobicContact CG2-CG2 4.17Å
254N94.7Very high80.8Confident91 Ų9168.4 Ų68.449%0.48739%0.391SS..  trans-78.6141.2177.3-62.9-53.9000111.8
255Y94.5Very high83.8Confident37 Ų3764.1 Ų64.115%0.14536%0.355CS..  trans-61.8147163-174.9-97.8000110.5L140 E257 N375 G432 W436L140-Y255 HydrophobicContact CD1-CD1 3.93Å; L140-Y255 HydrophobicContact CD1-CD2 4.08Å; L140-Y255 HydrophobicContact CD1-CE1 4.41Å; L140-Y255 HydrophobicContact CD1-CG 3.74Å; Y255-E257 HydrophobicContact CE1-CB 4.32Å; Y255-E257 PolarHBondContact OH-OE1 3.13Å; Y255-N375 PolarHBondContact OH-ND2 3.12Å; Y255-G432 WeakPolarHBondContact OH-CA 3.49Å; Y255-W436 HydrophobicContact CD2-CB 4.09Å; Y255-W436 AromaticContact CD2-CD2 3.83Å; Y255-W436 HydrophobicContact CD2-CD2 3.83Å; Y255-W436 AromaticContact CD2-CE3 3.47Å; Y255-W436 HydrophobicContact CD2-CE3 3.47Å; Y255-W436 VanDerWaalsContact CD2-CE3 3.47Å; Y255-W436 HydrophobicContact CD2-CG 4.15Å; Y255-W436 HydrophobicContact CD2-CZ3 4.04Å; Y255-W436 HydrophobicContact CE2-CE3 4.34Å; Y255-W436 HydrophobicContact CG-CD2 4.42Å; Y255-W436 HydrophobicContact CG-CE3 4.22Å; Y255-W436 HydrophobicContact CG-CZ3 4.48Å
256Q92.6Very high86.6Confident108 Ų10859 Ų5951%0.50532%0.319SS..  trans-139.7139.9167.5-71.5179-15.600108.7R439Q256-R439 VanDerWaalsContact CD-NH1 3.26Å; Q256-R439 VanDerWaalsContact OE1-CZ 3.3Å
257E91.3Very high89.2Confident92 Ų9255.5 Ų55.543%0.4329%0.288SS..  trans-81.7122.7-179-159.571.9-94.200110.4Y255 Y328Y255-E257 HydrophobicContact CE1-CB 4.32Å; Y255-E257 PolarHBondContact OH-OE1 3.13Å; E257-Y328 VanDerWaalsContact CD-OH 3.3Å; E257-Y328 PolarHBondContact OE1-OH 2.98Å; E257-Y328 WeakPolarHBondContact OE2-CE1 3.42Å; E257-Y328 PolarHBondContact OE2-OH 2.9Å
258P94.7Very high91.8Very high28 Ų2852.6 Ų52.618%0.18226%0.259CS..  trans-79.8156.3178.432.8-35.7000112Y260 N431P258-Y260 WeakPolarHBondContact CG-O 3.26Å; P258-Y260 PolarHBondContact O-N 3.15Å; P258-Y260 VanDerWaalsContact O-N 3.12Å; P258-N431 HydrophobicContact CB-CB 4.5Å; P258-N431 HydrophobicContact CG-CB 3.89Å
259K93.3Very high93.7Very high158 Ų15849 Ų4969%0.68724%0.243SC*.SBendtrans-53.6-32.9175.3-177.1-171.7174.5-158.20113.7
260Y96.3Very high94.9Very high88 Ų8851 Ų5135%0.34525%0.251SS..SBendtrans-119.3108.6175.7-58.4-80.4000107.8P258 C262 N278 A279 N431P258-Y260 WeakPolarHBondContact CG-O 3.26Å; P258-Y260 PolarHBondContact O-N 3.15Å; P258-Y260 VanDerWaalsContact O-N 3.12Å; Y260-C262 VanDerWaalsContact C-N 3.33Å; Y260-C262 PolarHBondContact O-N 3.13Å; Y260-N278 HydrophobicContact CD1-CB 3.7Å; Y260-N278 WeakPolarHBondContact CD1-O 3.41Å; Y260-N278 HydrophobicContact CE1-CB 4.07Å; Y260-N278 HydrophobicContact CG-CB 4.03Å; Y260-A279 CarbonylContact C-O 3.59Å; Y260-A279 VanDerWaalsContact CA-O 3.22Å; Y260-A279 WeakPolarHBondContact CA-O 3.34Å; Y260-N431 VanDerWaalsContact O-CB 3.28Å; Y260-N431 WeakPolarHBondContact O-CB 3.44Å; Y260-N431 PolarHBondContact O-ND2 3.46Å
261W96.6Very high95.7Very high12 Ų1249.5 Ų49.55%0.04524%0.244CC..SBendtrans-71-30.1-172.966.8-90.7000112.3A279 Q281 I284 L326 Y328 V333 L430 N431W261-A279 HydrophobicContact CZ2-CB 4.32Å; W261-A279 PolarHBondContact N-O 3.43Å; W261-Q281 PolarHBondContact NE1-O 3.4Å; W261-I284 HydrophobicContact CH2-CD1 4.43Å; W261-I284 HydrophobicContact CZ2-CD1 3.83Å; W261-I284 HydrophobicContact CZ2-CG1 4.29Å; W261-L326 HydrophobicContact CH2-CB 4.26Å; W261-Y328 HydrophobicContact CB-CD1 3.95Å; W261-Y328 HydrophobicContact CB-CE1 4.32Å; W261-Y328 HydrophobicContact CD2-CD1 4.26Å; W261-Y328 HydrophobicContact CD2-CG 4.21Å; W261-Y328 HydrophobicContact CE3-CG 4.16Å; W261-Y328 HydrophobicContact CG-CD1 4.01Å; W261-Y328 HydrophobicContact CG-CG 4.44Å; W261-V333 HydrophobicContact CE3-CG2 4.35Å; W261-V333 HydrophobicContact CH2-CG1 3.97Å; W261-V333 HydrophobicContact CZ3-CG1 3.7Å; W261-V333 HydrophobicContact CZ3-CG2 3.91Å; W261-L430 HydrophobicContact CE3-CD2 4.2Å; W261-L430 HydrophobicContact CZ3-CD2 3.96Å; W261-N431 PolarHBondContact O-N 3.44Å
262C98Very high96.2Very high0 Ų053.5 Ų53.50%026%0.258CS..EExtended strand (participates in β ladder)trans-141.2161.416872.80000114Y260 A279 I428 H429 L430Y260-C262 VanDerWaalsContact C-N 3.33Å; Y260-C262 PolarHBondContact O-N 3.13Å; C262-A279 PolarHBondContact O-N 3.19Å; C262-I428 HydrophobicContact CB-CG2 3.91Å; C262-H429 CarbonylContact C-O 3.57Å; C262-H429 WeakPolarHBondContact CA-O 3.11Å; C262-H429 WeakPolarHBondContact CB-O 3.43Å; C262-L430 HydrophobicContact CB-CD2 3.92Å
263S97.8Very high96.5Very high21 Ų2150.2 Ų50.215%0.14724%0.236CC..EExtended strand (participates in β ladder)trans-126.7130.5172.7-63.40000109.6F277 N278 H429 N431S263-F277 CarbonylContact C-O 3.56Å; S263-F277 WeakPolarHBondContact CA-O 3.49Å; S263-N278 WeakPolarHBondContact CB-OD1 3.43Å; S263-N278 PolarHBondContact OG-OD1 2.64Å; S263-H429 PolarHBondContact N-O 3.49Å; S263-H429 PolarHBondContact O-N 2.73Å; S263-N431 PolarHBondContact OG-ND2 3.28Å
264I98.3Very high96.6Very high0 Ų051.7 Ų51.70%025%0.252CS..EExtended strand (participates in β ladder)trans-122.4130.7-166.9-51.7171000109.9A276 F277 I284 I286 F299 L326 V426 E427 I428I264-A276 CarbonylContact O-C 3.58Å; I264-A276 WeakPolarHBondContact O-CA 3.47Å; I264-F277 HydrophobicContact CB-CB 4.45Å; I264-F277 HydrophobicContact CD1-CD1 4.2Å; I264-F277 PolarHBondContact N-O 2.89Å; I264-F277 PolarHBondContact O-N 2.85Å; I264-I284 HydrophobicContact CD1-CD1 3.56Å; I264-I286 HydrophobicContact CD1-CD1 4Å; I264-I286 HydrophobicContact CD1-CG1 4.39Å; I264-I286 HydrophobicContact CG2-CD1 4.13Å; I264-F299 HydrophobicContact CB-CD1 4.42Å; I264-F299 HydrophobicContact CB-CE1 4.37Å; I264-F299 HydrophobicContact CG2-CD1 4.05Å; I264-F299 HydrophobicContact CG2-CE1 3.92Å; I264-L326 HydrophobicContact CD1-CD1 4.14Å; I264-V426 HydrophobicContact CG2-CB 3.86Å; I264-V426 HydrophobicContact CG2-CG1 4.02Å; I264-V426 HydrophobicContact CG2-CG2 4.4Å; I264-E427 WeakPolarHBondContact CA-O 3.22Å; I264-I428 HydrophobicContact CG1-CG1 4.31Å; I264-I428 HydrophobicContact CG1-CG2 4.31Å; I264-I428 HydrophobicContact CG2-CG1 4.32Å
265V98.4Very high96.6Very high13 Ų1355.3 Ų55.38%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-120.4132.2178.4-1750000109.6Y267 R272 A276 V426 E427V265-Y267 HydrophobicContact CB-CE2 3.81Å; V265-Y267 HydrophobicContact CG1-CD2 4.16Å; V265-Y267 HydrophobicContact CG1-CE2 3.44Å; V265-Y267 VanDerWaalsContact CG1-CE2 3.44Å; V265-R272 HydrophobicContact CG1-CG 3.69Å; V265-A276 HydrophobicContact CG2-CB 4.02Å; V265-V426 CarbonylContact O-C 3.54Å; V265-V426 WeakPolarHBondContact O-CA 3.4Å; V265-E427 PolarHBondContact N-O 3.41Å; V265-E427 PolarHBondContact O-N 2.92Å
266Y98.6Very high96.6Very high0 Ų055.2 Ų55.20%027%0.273CS..EExtended strand (participates in β ladder)trans-95.5144.2178.1176.4-119000112.3E268 V273 L301 L304 R317 C424 W425 V426Y266-E268 HydrophobicContact CE1-CG 3.72Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.35Å; Y266-E268 WeakPolarHBondContact OH-CG 3.45Å; Y266-E268 PolarHBondContact OH-OE1 3.39Å; Y266-V273 HydrophobicContact CD1-CB 3.74Å; Y266-V273 HydrophobicContact CD1-CG1 3.88Å; Y266-V273 HydrophobicContact CE1-CB 4.03Å; Y266-V273 HydrophobicContact CE1-CG1 3.93Å; Y266-V273 PolarHBondContact O-N 3.41Å; Y266-L301 HydrophobicContact CD1-CD2 4.17Å; Y266-L301 HydrophobicContact CD2-CD1 3.77Å; Y266-L301 HydrophobicContact CD2-CD2 3.85Å; Y266-L301 HydrophobicContact CD2-CG 4.35Å; Y266-L301 HydrophobicContact CE2-CD1 3.76Å; Y266-L301 HydrophobicContact CE2-CD2 4.46Å; Y266-L301 HydrophobicContact CG-CD1 4.44Å; Y266-L301 HydrophobicContact CG-CD2 3.69Å; Y266-L304 HydrophobicContact CD1-CD1 3.6Å; Y266-L304 HydrophobicContact CE1-CD1 4.29Å; Y266-L304 HydrophobicContact CG-CD1 4.26Å; Y266-R317 PolarHBondContact OH-NH1 3.21Å; Y266-R317 VanDerWaalsContact OH-NH1 3.08Å; Y266-C424 HydrophobicContact CE2-CB 4.07Å; Y266-C424 PolarHBondContact OH-SG 3.12Å; Y266-W425 WeakPolarHBondContact CD2-O 3.46Å; Y266-V426 HydrophobicContact CD2-CG1 3.96Å
267Y98.9Very high96.8Very high42 Ų4251.6 Ų51.617%0.16526%0.256CS..EExtended strand (participates in β ladder)trans-136142.8-177.1-70.3-95.1000112.2V265 N271 R272 W425 E427V265-Y267 HydrophobicContact CB-CE2 3.81Å; V265-Y267 HydrophobicContact CG1-CD2 4.16Å; V265-Y267 HydrophobicContact CG1-CE2 3.44Å; V265-Y267 VanDerWaalsContact CG1-CE2 3.44Å; Y267-N271 CarbonylContact C-O 3.56Å; Y267-N271 VanDerWaalsContact CA-O 3.24Å; Y267-N271 WeakPolarHBondContact CA-O 3.45Å; Y267-R272 HydrophobicContact CD1-CB 4.1Å; Y267-R272 HydrophobicContact CE1-CB 3.75Å; Y267-W425 VanDerWaalsContact CB-NE1 3.34Å; Y267-W425 HydrophobicContact CD1-CH2 4.27Å; Y267-W425 AromaticContact CD1-CZ2 3.83Å; Y267-W425 HydrophobicContact CD1-CZ2 3.83Å; Y267-W425 HydrophobicContact CD2-CD2 4.36Å; Y267-W425 HydrophobicContact CD2-CE3 4.26Å; Y267-W425 AromaticContact CD2-CH2 3.81Å; Y267-W425 HydrophobicContact CD2-CH2 3.81Å; Y267-W425 AromaticContact CD2-CZ2 3.92Å; Y267-W425 HydrophobicContact CD2-CZ2 3.92Å; Y267-W425 HydrophobicContact CD2-CZ3 4.01Å; Y267-W425 HydrophobicContact CE1-CZ2 4.46Å; Y267-W425 HydrophobicContact CE2-CH2 4.11Å; Y267-W425 HydrophobicContact CE2-CZ3 4.37Å; Y267-W425 HydrophobicContact CG-CD2 4.3Å; Y267-W425 AromaticContact CG-CE2 3.76Å; Y267-W425 AromaticContact CG-CH2 3.92Å; Y267-W425 HydrophobicContact CG-CH2 3.92Å; Y267-W425 AromaticContact CG-CZ2 3.55Å; Y267-W425 HydrophobicContact CG-CZ2 3.55Å; Y267-W425 HydrophobicContact CG-CZ3 4.46Å; Y267-W425 PolarHBondContact N-O 3Å; Y267-W425 PolarHBondContact O-N 3.39Å; Y267-E427 HydrophobicContact CE2-CB 4.04Å
268E98.7Very high97Very high0 Ų050.7 Ų50.70%025%0.254CS..EExtended strand (participates in β ladder)trans-120.3109.2169-66.2-177.9-179.600108.4Y266 N270 N271 V273 N306 R309 I313 R317 P423Y266-E268 HydrophobicContact CE1-CG 3.72Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.35Å; Y266-E268 WeakPolarHBondContact OH-CG 3.45Å; Y266-E268 PolarHBondContact OH-OE1 3.39Å; E268-N270 PolarHBondContact O-N 3.41Å; E268-N271 PolarHBondContact N-O 2.89Å; E268-N271 WeakPolarHBondContact O-CB 3.26Å; E268-N271 PolarHBondContact O-N 3.2Å; E268-N271 PolarHBondContact O-ND2 2.9Å; E268-V273 HydrophobicContact CB-CG2 3.91Å; E268-V273 HydrophobicContact CG-CB 4.42Å; E268-V273 HydrophobicContact CG-CG2 3.87Å; E268-N306 WeakPolarHBondContact OE2-CB 3.35Å; E268-N306 PolarHBondContact OE2-ND2 2.91Å; E268-R309 IonicContact OE1-CZ 2.71Å; E268-R309 VanDerWaalsContact OE1-CZ 3.3Å; E268-R309 IonicContact OE1-NE 2.71Å; E268-R309 PolarHBondContact OE1-NE 3.01Å; E268-R309 VanDerWaalsContact OE1-NE 3.17Å; E268-R309 IonicContact OE1-NH2 2.79Å; E268-R309 PolarHBondContact OE1-NH2 2.88Å; E268-R309 IonicContact OE2-CZ 3.37Å; E268-R309 IonicContact OE2-NE 3.83Å; E268-R309 PolarHBondContact OE2-NE 3.38Å; E268-R309 IonicContact OE2-NH2 3.07Å; E268-R309 PolarHBondContact OE2-NH2 3.27Å; E268-I313 HydrophobicContact CB-CD1 4.24Å; E268-I313 HydrophobicContact CB-CG2 4.08Å; E268-I313 VanDerWaalsContact CD-CG2 3.45Å; E268-I313 HydrophobicContact CG-CG2 3.8Å; E268-I313 WeakPolarHBondContact OE2-CG2 3.28Å; E268-R317 WeakPolarHBondContact OE1-CD 3.35Å; E268-R317 IonicContact OE1-CZ 2.65Å; E268-R317 IonicContact OE1-NE 3.31Å; E268-R317 IonicContact OE1-NH1 3.92Å; E268-R317 PolarHBondContact OE1-NH1 3.1Å; E268-P423 WeakPolarHBondContact CA-O 3.29Å
269L98.5Very high97Very high49 Ų4949.3 Ų49.326%0.25725%0.245SC..THydrogen-bonded Turntrans55.2-120.7-163.6-58.5170.5000111.3I313 T420 T422 W425L269-I313 HydrophobicContact CD1-CD1 4.01Å; L269-I313 HydrophobicContact CG-CD1 4.11Å; L269-I313 HydrophobicContact CG-CG1 4.5Å; L269-T420 CarbonylContact C-O 3.37Å; L269-T420 WeakPolarHBondContact CA-O 3.23Å; L269-T420 WeakPolarHBondContact CB-O 3.4Å; L269-T422 WeakPolarHBondContact CA-O 3.34Å; L269-T422 PolarHBondContact N-O 3.19Å; L269-W425 PolarHBondContact O-NE1 3.34Å
270N97.9Very high97Very high114 Ų11443.9 Ų43.961%0.6123%0.227SC*.THydrogen-bonded Turntrans-91.2-0.8175.164.7-31.9000113.9E268 T420E268-N270 PolarHBondContact O-N 3.41Å; N270-T420 HydrophobicContact CB-CG2 4.26Å
271N98.1Very high96.9Very high53 Ų5342.5 Ų42.528%0.28322%0.224SC..EExtended strand (participates in β ladder)trans-93.8128.1-175.9-56.6-87.6000110.3Y267 E268Y267-N271 CarbonylContact C-O 3.56Å; Y267-N271 VanDerWaalsContact CA-O 3.24Å; Y267-N271 WeakPolarHBondContact CA-O 3.45Å; E268-N271 PolarHBondContact N-O 2.89Å; E268-N271 WeakPolarHBondContact O-CB 3.26Å; E268-N271 PolarHBondContact O-N 3.2Å; E268-N271 PolarHBondContact O-ND2 2.9Å
272R98.3Very high96.8Very high136 Ų13644.4 Ų44.451%0.51324%0.235SC..EExtended strand (participates in β ladder)trans-67.4135165.8176.3175.7172.91693.6109.2V265 Y267 G274V265-R272 HydrophobicContact CG1-CG 3.69Å; Y267-R272 HydrophobicContact CD1-CB 4.1Å; Y267-R272 HydrophobicContact CE1-CB 3.75Å; R272-G274 PolarHBondContact NE-O 3.19Å
273V98.3Very high96.6Very high5 Ų545.6 Ų45.63%0.0324%0.243CC..  trans-128.3112.4-1791750000109.4Y266 E268 L304 N306Y266-V273 HydrophobicContact CD1-CB 3.74Å; Y266-V273 HydrophobicContact CD1-CG1 3.88Å; Y266-V273 HydrophobicContact CE1-CB 4.03Å; Y266-V273 HydrophobicContact CE1-CG1 3.93Å; Y266-V273 PolarHBondContact O-N 3.41Å; E268-V273 HydrophobicContact CB-CG2 3.91Å; E268-V273 HydrophobicContact CG-CB 4.42Å; E268-V273 HydrophobicContact CG-CG2 3.87Å; V273-L304 HydrophobicContact CG1-CB 3.97Å; V273-N306 HydrophobicContact CG1-CB 4.13Å; V273-N306 HydrophobicContact CG2-CB 3.92Å
274G95.6Very high96.5Very high38 Ų3844.7 Ų44.739%0.39224%0.237SC..SBendtrans86.6179.2-179.800000115.6R272R272-G274 PolarHBondContact NE-O 3.19Å
275E93.8Very high96.5Very high168 Ų16847.1 Ų47.179%0.78525%0.249SC*.PPolyproline II helixtrans-73.8172.3177.1-60.5-166.1149.600112.1
276A95.6Very high96.5Very high35 Ų3546.5 Ų46.529%0.28925%0.245SC..PPolyproline II helixtrans-87.4124.5173.600000109.9I264 V265 N278I264-A276 CarbonylContact O-C 3.58Å; I264-A276 WeakPolarHBondContact O-CA 3.47Å; V265-A276 HydrophobicContact CG2-CB 4.02Å; A276-N278 PolarHBondContact O-ND2 3.15Å; A276-N278 VanDerWaalsContact O-ND2 3.14Å
277F95.5Very high96.4Very high31 Ų3146.7 Ų46.714%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-78.6130.1172.5-178.8-87.6000109.6S263 I264 A279 I284 R298 F299S263-F277 CarbonylContact C-O 3.56Å; S263-F277 WeakPolarHBondContact CA-O 3.49Å; I264-F277 HydrophobicContact CB-CB 4.45Å; I264-F277 HydrophobicContact CD1-CD1 4.2Å; I264-F277 PolarHBondContact N-O 2.89Å; I264-F277 PolarHBondContact O-N 2.85Å; F277-A279 HydrophobicContact CD1-CB 4.44Å; F277-A279 HydrophobicContact CE1-CB 4.02Å; F277-I284 HydrophobicContact CE1-CD1 4.2Å; F277-I284 HydrophobicContact CE1-CG2 4.36Å; F277-R298 WeakPolarHBondContact CE2-O 3.49Å; F277-F299 HydrophobicContact CB-CB 4.21Å; F277-F299 HydrophobicContact CB-CD1 3.76Å; F277-F299 HydrophobicContact CB-CD2 3.84Å; F277-F299 HydrophobicContact CB-CE1 4Å; F277-F299 HydrophobicContact CB-CE2 4.07Å; F277-F299 HydrophobicContact CB-CG 3.68Å; F277-F299 HydrophobicContact CB-CZ 4.15Å; F277-F299 HydrophobicContact CD1-CB 4.25Å; F277-F299 HydrophobicContact CD2-CB 3.7Å; F277-F299 HydrophobicContact CD2-CD2 4.03Å; F277-F299 AromaticContact CD2-CG 3.96Å; F277-F299 HydrophobicContact CD2-CG 3.96Å; F277-F299 HydrophobicContact CE2-CB 4.07Å; F277-F299 HydrophobicContact CG-CB 3.8Å; F277-F299 HydrophobicContact CG-CD1 4.24Å; F277-F299 HydrophobicContact CG-CD2 4.19Å; F277-F299 AromaticContact CG-CG 3.84Å; F277-F299 HydrophobicContact CG-CG 3.84Å; F277-F299 HydrophobicContact CZ-CB 4.48Å
278N96Very high96.4Very high73 Ų7345.6 Ų45.639%0.3925%0.248SC..EExtended strand (participates in β ladder)trans-114.2111.4-177.7-64.9-74000109.6Y260 S263 A276 S280Y260-N278 HydrophobicContact CD1-CB 3.7Å; Y260-N278 WeakPolarHBondContact CD1-O 3.41Å; Y260-N278 HydrophobicContact CE1-CB 4.07Å; Y260-N278 HydrophobicContact CG-CB 4.03Å; S263-N278 WeakPolarHBondContact CB-OD1 3.43Å; S263-N278 PolarHBondContact OG-OD1 2.64Å; A276-N278 PolarHBondContact O-ND2 3.15Å; A276-N278 VanDerWaalsContact O-ND2 3.14Å; N278-S280 PolarHBondContact O-N 3.32Å
279A95.4Very high96.3Very high0 Ų050.5 Ų50.50%027%0.269CS..EExtended strand (participates in β ladder)trans-85.5106.3-169.400000112.1Y260 W261 C262 F277 I284Y260-A279 CarbonylContact C-O 3.59Å; Y260-A279 VanDerWaalsContact CA-O 3.22Å; Y260-A279 WeakPolarHBondContact CA-O 3.34Å; W261-A279 HydrophobicContact CZ2-CB 4.32Å; W261-A279 PolarHBondContact N-O 3.43Å; C262-A279 PolarHBondContact O-N 3.19Å; F277-A279 HydrophobicContact CD1-CB 4.44Å; F277-A279 HydrophobicContact CE1-CB 4.02Å; A279-I284 HydrophobicContact CB-CD1 3.63Å; A279-I284 HydrophobicContact CB-CG2 4.07Å
280S93.2Very high96.1Very high44 Ų4452.7 Ų52.731%0.30829%0.285SS..  trans-95-21.2169.859.70000113.2N278N278-S280 PolarHBondContact O-N 3.32Å
281Q93.4Very high95.6Very high59 Ų5949.4 Ų49.428%0.27627%0.267SS..SBendtrans-82.2138.4170.6-55.3-57.9-17.600109.3W261 S283 I284 S296 D297W261-Q281 PolarHBondContact NE1-O 3.4Å; Q281-S283 PolarHBondContact O-N 2.71Å; Q281-I284 HydrophobicContact CB-CG2 4.2Å; Q281-I284 WeakPolarHBondContact O-CG2 3.36Å; Q281-S296 WeakPolarHBondContact CG-O 3.28Å; Q281-S296 VanDerWaalsContact CG-OG 3.26Å; Q281-S296 WeakPolarHBondContact CG-OG 3.39Å; Q281-S296 PolarHBondContact NE2-OG 3.45Å; Q281-D297 HydrophobicContact CB-CB 4.36Å; Q281-D297 HydrophobicContact CG-CB 4.19Å
282L94.4Very high94.7Very high52 Ų5252 Ų5227%0.27229%0.287SS..SBendtrans-69.4-12.4177.8-60.8177.8000112.7Y327 Y328L282-Y327 CarbonylContact O-C 3.55Å; L282-Y327 VanDerWaalsContact O-CA 3.23Å; L282-Y327 WeakPolarHBondContact O-CA 3.28Å; L282-Y328 HydrophobicContact CD2-CD1 3.75Å; L282-Y328 HydrophobicContact CD2-CE1 4.49Å; L282-Y328 PolarHBondContact O-N 2.96Å
283S94.7Very high93.5Very high25 Ų2548.2 Ų48.218%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-133.8113.3-178.8170.20000109.2Q281 H325Q281-S283 PolarHBondContact O-N 2.71Å; S283-H325 PolarHBondContact OG-NE2 3.33Å
284I96Very high91.9Very high2 Ų256 Ų561%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-133.6146.6-174.369.4-175.4000112W261 I264 F277 A279 Q281 D297 H325 L326W261-I284 HydrophobicContact CH2-CD1 4.43Å; W261-I284 HydrophobicContact CZ2-CD1 3.83Å; W261-I284 HydrophobicContact CZ2-CG1 4.29Å; I264-I284 HydrophobicContact CD1-CD1 3.56Å; F277-I284 HydrophobicContact CE1-CD1 4.2Å; F277-I284 HydrophobicContact CE1-CG2 4.36Å; A279-I284 HydrophobicContact CB-CD1 3.63Å; A279-I284 HydrophobicContact CB-CG2 4.07Å; Q281-I284 HydrophobicContact CB-CG2 4.2Å; Q281-I284 WeakPolarHBondContact O-CG2 3.36Å; I284-D297 CarbonylContact C-O 3.43Å; I284-D297 VanDerWaalsContact CA-O 3.25Å; I284-D297 WeakPolarHBondContact CA-O 3.39Å; I284-H325 WeakPolarHBondContact O-CA 3.4Å; I284-H325 PolarHBondContact O-CD2 3.26Å; I284-L326 HydrophobicContact CD1-CB 4.26Å; I284-L326 HydrophobicContact CD1-CD1 4.37Å; I284-L326 HydrophobicContact CG1-CB 3.83Å; I284-L326 PolarHBondContact N-O 3.45Å; I284-L326 PolarHBondContact O-N 3.41Å; I284-L326 VanDerWaalsContact O-O 3.13Å
285I97.1Very high90.9Very high50 Ų5056.9 Ų56.926%0.25632%0.318SS..EExtended strand (participates in β ladder)trans-111.7128.8175.2-65169.9000109.3D287 D297 R298 F299 V324 H325 L338I285-D287 HydrophobicContact CG2-CB 3.87Å; I285-D297 PolarHBondContact N-O 2.72Å; I285-R298 HydrophobicContact CB-CG 4.48Å; I285-R298 CarbonylContact O-C 3.49Å; I285-R298 WeakPolarHBondContact O-CA 3.25Å; I285-F299 PolarHBondContact O-N 2.71Å; I285-V324 WeakPolarHBondContact CA-O 3.29Å; I285-H325 HydrophobicContact CG1-CB 4.31Å; I285-L338 HydrophobicContact CD1-CD1 4.23Å; I285-L338 HydrophobicContact CG1-CD1 4.34Å
286I97.8Very high90.3Very high0 Ų051 Ų510%030%0.296CS..EExtended strand (participates in β ladder)trans-102.9115.1166.5-45.9170.5000106.7I264 F299 L301 G323 V324 L326 M404 F406 V426I264-I286 HydrophobicContact CD1-CD1 4Å; I264-I286 HydrophobicContact CD1-CG1 4.39Å; I264-I286 HydrophobicContact CG2-CD1 4.13Å; I286-F299 WeakPolarHBondContact CA-O 3.42Å; I286-F299 HydrophobicContact CG1-CB 4.36Å; I286-F299 HydrophobicContact CG1-CD1 4.42Å; I286-F299 HydrophobicContact CG2-CB 4.28Å; I286-F299 HydrophobicContact CG2-CD1 3.91Å; I286-F299 HydrophobicContact CG2-CG 4.36Å; I286-L301 HydrophobicContact CG2-CD1 3.63Å; I286-L301 HydrophobicContact CG2-CD2 3.95Å; I286-L301 HydrophobicContact CG2-CG 3.7Å; I286-G323 CarbonylContact O-C 3.57Å; I286-G323 VanDerWaalsContact O-CA 3.29Å; I286-G323 WeakPolarHBondContact O-CA 3.47Å; I286-V324 HydrophobicContact CB-CG1 3.84Å; I286-V324 HydrophobicContact CD1-CG1 4.06Å; I286-V324 HydrophobicContact CG1-CG1 4.22Å; I286-V324 PolarHBondContact N-O 3.46Å; I286-V324 PolarHBondContact O-N 3.29Å; I286-L326 HydrophobicContact CD1-CD1 3.77Å; I286-L326 HydrophobicContact CD1-CG 4.41Å; I286-L326 HydrophobicContact CG1-CD1 4.5Å; I286-M404 HydrophobicContact CD1-CE 4.06Å; I286-F406 HydrophobicContact CB-CZ 4.4Å; I286-F406 HydrophobicContact CG2-CZ 3.96Å; I286-V426 HydrophobicContact CD1-CG2 4.17Å
287D97.8Very high90Very high4 Ų452.6 Ų52.62%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-133.8169.7-171.970.259.1000113.9I285 F289 R298 F299 C300 L301I285-D287 HydrophobicContact CG2-CB 3.87Å; D287-F289 HydrophobicContact CB-CD2 4.01Å; D287-F289 HydrophobicContact CB-CE2 4.49Å; D287-F289 WeakPolarHBondContact OD1-CA 3.15Å; D287-F289 VanDerWaalsContact OD1-CB 3.26Å; D287-F289 WeakPolarHBondContact OD1-CB 3.37Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.13Å; D287-F289 PolarHBondContact OD1-N 3.27Å; D287-R298 IonicContact OD1-NH2 3.18Å; D287-R298 PolarHBondContact OD1-NH2 2.82Å; D287-R298 IonicContact OD2-CZ 2.73Å; D287-R298 VanDerWaalsContact OD2-CZ 3.31Å; D287-R298 IonicContact OD2-NE 3.23Å; D287-R298 PolarHBondContact OD2-NE 3.03Å; D287-R298 IonicContact OD2-NH2 3.35Å; D287-R298 PolarHBondContact OD2-NH2 3.14Å; D287-F299 PolarHBondContact N-O 3.37Å; D287-F299 VanDerWaalsContact N-O 3.07Å; D287-C300 PolarHBondContact OD1-SG 3.07Å; D287-C300 VanDerWaalsContact OD1-SG 3.41Å; D287-L301 VanDerWaalsContact O-CB 3.32Å; D287-L301 WeakPolarHBondContact O-CB 3.34Å; D287-L301 PolarHBondContact O-N 2.67Å
288G97.7Very high90Very high19 Ų1954 Ų5420%0.19630%0.304CS..SBendtrans-90.78.1-178.700000114.5G302 G321G288-G302 WeakPolarHBondContact O-CA 3.11Å; G288-G321 PolarHBondContact N-O 3.32Å
289F96.2Very high90Very high103 Ų10351.4 Ų51.445%0.45229%0.289SS..SBendtrans-89.1-175.2-177.6-53.7-60.3000111.9D287 C300 G302 K322D287-F289 HydrophobicContact CB-CD2 4.01Å; D287-F289 HydrophobicContact CB-CE2 4.49Å; D287-F289 WeakPolarHBondContact OD1-CA 3.15Å; D287-F289 VanDerWaalsContact OD1-CB 3.26Å; D287-F289 WeakPolarHBondContact OD1-CB 3.37Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.13Å; D287-F289 PolarHBondContact OD1-N 3.27Å; F289-C300 WeakPolarHBondContact O-CB 3.19Å; F289-G302 WeakPolarHBondContact O-CA 3.27Å; F289-G302 PolarHBondContact O-N 3.46Å; F289-K322 HydrophobicContact CE2-CG 4.45Å; F289-K322 HydrophobicContact CZ-CG 4.48Å
290T94.6Very high90Very high95 Ų9551.7 Ų51.758%0.58329%0.291SS*.  trans-12837.1-165.2620000112.5P292T290-P292 VanDerWaalsContact O-CD 3.27Å; T290-P292 WeakPolarHBondContact O-CD 3.43Å
291D88.8Confident90.2Very high46 Ų4649.7 Ų49.725%0.24628%0.277CS..  trans-73.5115.3174.9-175.3-6.2000109.3S293 N295 R298 L303D291-S293 PolarHBondContact OD1-N 2.87Å; D291-S293 PolarHBondContact OD1-OG 3.21Å; D291-N295 PolarHBondContact OD2-ND2 2.82Å; D291-N295 VanDerWaalsContact OD2-ND2 3.08Å; D291-R298 VanDerWaalsContact CB-NH1 3.33Å; D291-R298 IonicContact OD2-CZ 3.18Å; D291-R298 IonicContact OD2-NH1 3.58Å; D291-R298 PolarHBondContact OD2-NH1 2.6Å; D291-L303 WeakPolarHBondContact O-CD2 3.41Å
292P77.7Confident90.3Very high106 Ų10647.9 Ų47.969%0.68828%0.275SS*.  trans-91.3-1.8-176.739.2-35.4000112.5T290 N294T290-P292 VanDerWaalsContact O-CD 3.27Å; T290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-N294 PolarHBondContact O-N 3.31Å
293S72.9Confident90.3Very high57 Ų5749.1 Ų49.140%0.39928%0.281SS..SBendtrans-72.6126.1170.756.60000108.6D291 N295D291-S293 PolarHBondContact OD1-N 2.87Å; D291-S293 PolarHBondContact OD1-OG 3.21Å; S293-N295 PolarHBondContact O-N 3.43Å; S293-N295 PolarHBondContact OG-ND2 2.75Å; S293-N295 PolarHBondContact OG-OD1 2.65Å
294N65Low90.4Very high170 Ų17049 Ų4991%0.90928%0.279SS*.  trans-71.761.4-177.8-82.2-5.8000111.3P292 S296P292-N294 PolarHBondContact O-N 3.31Å; N294-S296 PolarHBondContact O-N 3.49Å
295N75Confident90.4Very high55 Ų5554.2 Ų54.229%0.29432%0.315SS..  trans-70.1119.2-180-68.6-30.1000108.9D291 S293 D297 R298D291-N295 PolarHBondContact OD2-ND2 2.82Å; D291-N295 VanDerWaalsContact OD2-ND2 3.08Å; S293-N295 PolarHBondContact O-N 3.43Å; S293-N295 PolarHBondContact OG-ND2 2.75Å; S293-N295 PolarHBondContact OG-OD1 2.65Å; N295-D297 WeakPolarHBondContact CB-OD1 3.36Å; N295-D297 PolarHBondContact O-N 2.61Å; N295-R298 HydrophobicContact CB-CB 4.32Å; N295-R298 PolarHBondContact O-N 3.05Å
296S81.6Confident90.4Very high44 Ų4453.2 Ų53.231%0.30831%0.31SS..THydrogen-bonded Turntrans-63.2-5.9-175.855.50000114.9Q281 N294Q281-S296 WeakPolarHBondContact CG-O 3.28Å; Q281-S296 VanDerWaalsContact CG-OG 3.26Å; Q281-S296 WeakPolarHBondContact CG-OG 3.39Å; Q281-S296 PolarHBondContact NE2-OG 3.45Å; N294-S296 PolarHBondContact O-N 3.49Å
297D89.8Confident90.4Very high70 Ų7060 Ų6037%0.37435%0.351SS..THydrogen-bonded Turntrans-108.8-2175.963.9-47.1000114.3Q281 I284 I285 N295Q281-D297 HydrophobicContact CB-CB 4.36Å; Q281-D297 HydrophobicContact CG-CB 4.19Å; I284-D297 CarbonylContact C-O 3.43Å; I284-D297 VanDerWaalsContact CA-O 3.25Å; I284-D297 WeakPolarHBondContact CA-O 3.39Å; I285-D297 PolarHBondContact N-O 2.72Å; N295-D297 WeakPolarHBondContact CB-OD1 3.36Å; N295-D297 PolarHBondContact O-N 2.61Å
298R94.5Very high90.4Very high60 Ų6065 Ų6523%0.22638%0.378CS..EExtended strand (participates in β ladder)trans-136.1121-177.7-68-172.464.3-144.9-0.9114.6F277 I285 D287 D291 N295 C300F277-R298 WeakPolarHBondContact CE2-O 3.49Å; I285-R298 HydrophobicContact CB-CG 4.48Å; I285-R298 CarbonylContact O-C 3.49Å; I285-R298 WeakPolarHBondContact O-CA 3.25Å; D287-R298 IonicContact OD1-NH2 3.18Å; D287-R298 PolarHBondContact OD1-NH2 2.82Å; D287-R298 IonicContact OD2-CZ 2.73Å; D287-R298 VanDerWaalsContact OD2-CZ 3.31Å; D287-R298 IonicContact OD2-NE 3.23Å; D287-R298 PolarHBondContact OD2-NE 3.03Å; D287-R298 IonicContact OD2-NH2 3.35Å; D287-R298 PolarHBondContact OD2-NH2 3.14Å; D291-R298 VanDerWaalsContact CB-NH1 3.33Å; D291-R298 IonicContact OD2-CZ 3.18Å; D291-R298 IonicContact OD2-NH1 3.58Å; D291-R298 PolarHBondContact OD2-NH1 2.6Å; N295-R298 HydrophobicContact CB-CB 4.32Å; N295-R298 PolarHBondContact O-N 3.05Å; R298-C300 PolarHBondContact NH2-SG 3.29Å
299F95.7Very high90.4Very high18 Ų1866.7 Ų66.78%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-103.192.3170.2-172.2-158.6000110.3I264 F277 I285 I286 D287 L301 L304I264-F299 HydrophobicContact CB-CD1 4.42Å; I264-F299 HydrophobicContact CB-CE1 4.37Å; I264-F299 HydrophobicContact CG2-CD1 4.05Å; I264-F299 HydrophobicContact CG2-CE1 3.92Å; F277-F299 HydrophobicContact CB-CB 4.21Å; F277-F299 HydrophobicContact CB-CD1 3.76Å; F277-F299 HydrophobicContact CB-CD2 3.84Å; F277-F299 HydrophobicContact CB-CE1 4Å; F277-F299 HydrophobicContact CB-CE2 4.07Å; F277-F299 HydrophobicContact CB-CG 3.68Å; F277-F299 HydrophobicContact CB-CZ 4.15Å; F277-F299 HydrophobicContact CD1-CB 4.25Å; F277-F299 HydrophobicContact CD2-CB 3.7Å; F277-F299 HydrophobicContact CD2-CD2 4.03Å; F277-F299 AromaticContact CD2-CG 3.96Å; F277-F299 HydrophobicContact CD2-CG 3.96Å; F277-F299 HydrophobicContact CE2-CB 4.07Å; F277-F299 HydrophobicContact CG-CB 3.8Å; F277-F299 HydrophobicContact CG-CD1 4.24Å; F277-F299 HydrophobicContact CG-CD2 4.19Å; F277-F299 AromaticContact CG-CG 3.84Å; F277-F299 HydrophobicContact CG-CG 3.84Å; F277-F299 HydrophobicContact CZ-CB 4.48Å; I285-F299 PolarHBondContact O-N 2.71Å; I286-F299 WeakPolarHBondContact CA-O 3.42Å; I286-F299 HydrophobicContact CG1-CB 4.36Å; I286-F299 HydrophobicContact CG1-CD1 4.42Å; I286-F299 HydrophobicContact CG2-CB 4.28Å; I286-F299 HydrophobicContact CG2-CD1 3.91Å; I286-F299 HydrophobicContact CG2-CG 4.36Å; D287-F299 PolarHBondContact N-O 3.37Å; D287-F299 VanDerWaalsContact N-O 3.07Å; F299-L301 HydrophobicContact CD1-CD2 3.88Å; F299-L301 HydrophobicContact CD2-CD2 4.19Å; F299-L301 HydrophobicContact CE1-CD2 3.65Å; F299-L301 HydrophobicContact CE2-CD2 3.98Å; F299-L301 HydrophobicContact CG-CD2 4.15Å; F299-L301 HydrophobicContact CZ-CD2 3.71Å; F299-L301 PolarHBondContact O-N 3.01Å; F299-L304 HydrophobicContact CE2-CD1 4.11Å; F299-L304 HydrophobicContact CZ-CD1 4.31Å
300C95.9Very high90.5Very high7 Ų764.9 Ų64.95%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-81.696.8-177.7-73.80000111.7D287 F289 R298 G302 L303D287-C300 PolarHBondContact OD1-SG 3.07Å; D287-C300 VanDerWaalsContact OD1-SG 3.41Å; F289-C300 WeakPolarHBondContact O-CB 3.19Å; R298-C300 PolarHBondContact NH2-SG 3.29Å; C300-G302 PolarHBondContact O-N 2.79Å; C300-L303 HydrophobicContact CB-CD2 3.74Å; C300-L303 WeakPolarHBondContact O-CG 3.46Å
301L97.1Very high90.6Very high1 Ų164.5 Ų64.51%0.00537%0.374CS..G310 helixtrans-68.7-22.9-178.9-55.9-178.9000113Y266 I286 D287 F299 L303 L304 R317 I320 F406Y266-L301 HydrophobicContact CD1-CD2 4.17Å; Y266-L301 HydrophobicContact CD2-CD1 3.77Å; Y266-L301 HydrophobicContact CD2-CD2 3.85Å; Y266-L301 HydrophobicContact CD2-CG 4.35Å; Y266-L301 HydrophobicContact CE2-CD1 3.76Å; Y266-L301 HydrophobicContact CE2-CD2 4.46Å; Y266-L301 HydrophobicContact CG-CD1 4.44Å; Y266-L301 HydrophobicContact CG-CD2 3.69Å; I286-L301 HydrophobicContact CG2-CD1 3.63Å; I286-L301 HydrophobicContact CG2-CD2 3.95Å; I286-L301 HydrophobicContact CG2-CG 3.7Å; D287-L301 VanDerWaalsContact O-CB 3.32Å; D287-L301 WeakPolarHBondContact O-CB 3.34Å; D287-L301 PolarHBondContact O-N 2.67Å; F299-L301 HydrophobicContact CD1-CD2 3.88Å; F299-L301 HydrophobicContact CD2-CD2 4.19Å; F299-L301 HydrophobicContact CE1-CD2 3.65Å; F299-L301 HydrophobicContact CE2-CD2 3.98Å; F299-L301 HydrophobicContact CG-CD2 4.15Å; F299-L301 HydrophobicContact CZ-CD2 3.71Å; F299-L301 PolarHBondContact O-N 3.01Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.8Å; L301-L304 HydrophobicContact CD2-CD1 3.97Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 2.97Å; L301-R317 PolarHBondContact O-NH1 2.91Å; L301-R317 VanDerWaalsContact O-NH1 3.12Å; L301-R317 PolarHBondContact O-NH2 2.81Å; L301-I320 HydrophobicContact CD1-CD1 4.14Å; L301-F406 HydrophobicContact CD1-CD2 4.45Å; L301-F406 HydrophobicContact CD1-CE2 3.72Å; L301-F406 HydrophobicContact CD1-CZ 3.99Å
302G96.6Very high91.1Very high22 Ų2265.7 Ų65.723%0.22738%0.383CS..G310 helixtrans-63.6-33.7-174.100000114.2G288 F289 C300 L304 R317G288-G302 WeakPolarHBondContact O-CA 3.11Å; F289-G302 WeakPolarHBondContact O-CA 3.27Å; F289-G302 PolarHBondContact O-N 3.46Å; C300-G302 PolarHBondContact O-N 2.79Å; G302-L304 VanDerWaalsContact C-N 3.34Å; G302-R317 VanDerWaalsContact C-NH2 3.27Å; G302-R317 PolarHBondContact O-NH2 2.83Å
303L94.2Very high92.1Very high77 Ų7760.7 Ų60.740%0.40335%0.351SS..G310 helixtrans-77.6-15.9178.469.497.5000114D291 C300 L301 S305D291-L303 WeakPolarHBondContact O-CD2 3.41Å; C300-L303 HydrophobicContact CB-CD2 3.74Å; C300-L303 WeakPolarHBondContact O-CG 3.46Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.8Å; L303-S305 PolarHBondContact O-N 3.48Å
304L95.9Very high93.3Very high24 Ų2461.8 Ų61.813%0.12635%0.35CS..  trans-70.6127-176.4-56.6177000111.1Y266 V273 F299 L301 G302 R309 R317Y266-L304 HydrophobicContact CD1-CD1 3.6Å; Y266-L304 HydrophobicContact CE1-CD1 4.29Å; Y266-L304 HydrophobicContact CG-CD1 4.26Å; V273-L304 HydrophobicContact CG1-CB 3.97Å; F299-L304 HydrophobicContact CE2-CD1 4.11Å; F299-L304 HydrophobicContact CZ-CD1 4.31Å; L301-L304 HydrophobicContact CD2-CD1 3.97Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 2.97Å; G302-L304 VanDerWaalsContact C-N 3.34Å; L304-R309 PolarHBondContact O-NH1 2.9Å; L304-R309 VanDerWaalsContact O-NH1 3.16Å; L304-R309 PolarHBondContact O-NH2 2.84Å; L304-R317 PolarHBondContact O-NH2 3.39Å; L304-R317 VanDerWaalsContact O-NH2 3.16Å
305S96.4Very high94.8Very high110 Ų11057.5 Ų57.577%0.76933%0.327SS*.  trans-92145.7178.2-71.60000112.3L303L303-S305 PolarHBondContact O-N 3.48Å
306N97.4Very high96Very high29 Ų2955 Ų5516%0.15531%0.314CS..  trans-147.9124.7172.2174.615000108.4E268 V273 N308 R309E268-N306 WeakPolarHBondContact OE2-CB 3.35Å; E268-N306 PolarHBondContact OE2-ND2 2.91Å; V273-N306 HydrophobicContact CG1-CB 4.13Å; V273-N306 HydrophobicContact CG2-CB 3.92Å; N306-N308 VanDerWaalsContact C-N 3.35Å; N306-N308 PolarHBondContact OD1-N 2.89Å; N306-R309 HydrophobicContact CB-CB 4.22Å; N306-R309 VanDerWaalsContact O-CB 3.28Å; N306-R309 WeakPolarHBondContact O-CB 3.33Å
307V97.5Very high96.8Very high144 Ų14454.1 Ų54.187%0.87330%0.304SS*.THydrogen-bonded Turntrans-76.6-22.4179.7-63.60000112.9R309V307-R309 PolarHBondContact O-N 2.75Å
308N96.9Very high97.2Very high107 Ų10758.4 Ų58.457%0.57232%0.315SS*.THydrogen-bonded Turntrans-88.814.3178.3-62.3-23.9000112.4N306 N310N306-N308 VanDerWaalsContact C-N 3.35Å; N306-N308 PolarHBondContact OD1-N 2.89Å; N308-N310 PolarHBondContact O-N 3.33Å
309R98Very high97.3Very high56 Ų5659.9 Ų59.921%0.21132%0.324CS..  trans-77.1120.8-174.5-174.6175-68.8150.1-1.1111.1E268 L304 N306 V307 I313 E314 R317E268-R309 IonicContact OE1-CZ 2.71Å; E268-R309 VanDerWaalsContact OE1-CZ 3.3Å; E268-R309 IonicContact OE1-NE 2.71Å; E268-R309 PolarHBondContact OE1-NE 3.01Å; E268-R309 VanDerWaalsContact OE1-NE 3.17Å; E268-R309 IonicContact OE1-NH2 2.79Å; E268-R309 PolarHBondContact OE1-NH2 2.88Å; E268-R309 IonicContact OE2-CZ 3.37Å; E268-R309 IonicContact OE2-NE 3.83Å; E268-R309 PolarHBondContact OE2-NE 3.38Å; E268-R309 IonicContact OE2-NH2 3.07Å; E268-R309 PolarHBondContact OE2-NH2 3.27Å; L304-R309 PolarHBondContact O-NH1 2.9Å; L304-R309 VanDerWaalsContact O-NH1 3.16Å; L304-R309 PolarHBondContact O-NH2 2.84Å; N306-R309 HydrophobicContact CB-CB 4.22Å; N306-R309 VanDerWaalsContact O-CB 3.28Å; N306-R309 WeakPolarHBondContact O-CB 3.33Å; V307-R309 PolarHBondContact O-N 2.75Å; R309-I313 HydrophobicContact CG-CB 3.95Å; R309-I313 HydrophobicContact CG-CG2 3.77Å; R309-E314 HydrophobicContact CG-CG 4Å; R309-R317 VanDerWaalsContact NH2-CZ 3.29Å
310N98.1Very high97.5Very high65 Ų6559.1 Ų59.135%0.34832%0.32SS..  trans-96.3168.1174.668.155.8000112.5N308 T312 I313 E314N308-N310 PolarHBondContact O-N 3.33Å; N310-T312 PolarHBondContact O-N 2.98Å; N310-T312 WeakPolarHBondContact OD1-CA 3.48Å; N310-T312 WeakPolarHBondContact OD1-CB 3.38Å; N310-T312 PolarHBondContact OD1-N 3.49Å; N310-I313 WeakPolarHBondContact ND2-CD1 3.46Å; N310-I313 WeakPolarHBondContact O-CB 3.5Å; N310-I313 PolarHBondContact O-N 3.05Å; N310-I313 PolarHBondContact OD1-N 2.86Å; N310-I313 VanDerWaalsContact OD1-N 3.1Å; N310-E314 PolarHBondContact O-N 2.91Å
311S98.2Very high97.6Very high86 Ų8659.5 Ų59.560%0.60133%0.326SS*.Hα-helixtrans-57.5-29.8-178.256.80000114.7N315S311-N315 VanDerWaalsContact O-CB 3.28Å; S311-N315 WeakPolarHBondContact O-CB 3.42Å; S311-N315 PolarHBondContact O-N 2.82Å
312T98.1Very high97.6Very high71 Ų7163.6 Ų63.644%0.43634%0.344SS..Hα-helixtrans-71.8-38.1175.9-630000111.2N310 T316 P423N310-T312 PolarHBondContact O-N 2.98Å; N310-T312 WeakPolarHBondContact OD1-CA 3.48Å; N310-T312 WeakPolarHBondContact OD1-CB 3.38Å; N310-T312 PolarHBondContact OD1-N 3.49Å; T312-T316 WeakPolarHBondContact O-CB 3.38Å; T312-T316 PolarHBondContact O-N 3.1Å; T312-T316 PolarHBondContact O-OG1 2.9Å; T312-P423 HydrophobicContact CG2-CB 4.4Å; T312-P423 HydrophobicContact CG2-CG 3.86Å
313I98.5Very high97.6Very high2 Ų262.6 Ų62.61%0.0133%0.333CS..Hα-helixtrans-66.8-49.5173.4-61.2162000109.9E268 L269 R309 N310 N315 T316 R317 P423E268-I313 HydrophobicContact CB-CD1 4.24Å; E268-I313 HydrophobicContact CB-CG2 4.08Å; E268-I313 VanDerWaalsContact CD-CG2 3.45Å; E268-I313 HydrophobicContact CG-CG2 3.8Å; E268-I313 WeakPolarHBondContact OE2-CG2 3.28Å; L269-I313 HydrophobicContact CD1-CD1 4.01Å; L269-I313 HydrophobicContact CG-CD1 4.11Å; L269-I313 HydrophobicContact CG-CG1 4.5Å; R309-I313 HydrophobicContact CG-CB 3.95Å; R309-I313 HydrophobicContact CG-CG2 3.77Å; N310-I313 WeakPolarHBondContact ND2-CD1 3.46Å; N310-I313 WeakPolarHBondContact O-CB 3.5Å; N310-I313 PolarHBondContact O-N 3.05Å; N310-I313 PolarHBondContact OD1-N 2.86Å; N310-I313 VanDerWaalsContact OD1-N 3.1Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 3.33Å; I313-T316 WeakPolarHBondContact O-CB 3.48Å; I313-T316 PolarHBondContact O-N 2.79Å; I313-T316 VanDerWaalsContact O-N 3.1Å; I313-R317 HydrophobicContact CG2-CG 4.35Å; I313-R317 WeakPolarHBondContact O-CG 3.26Å; I313-R317 PolarHBondContact O-N 3.08Å; I313-P423 HydrophobicContact CB-CB 4.31Å; I313-P423 HydrophobicContact CG1-CB 3.85Å; I313-P423 WeakPolarHBondContact CG2-O 3.41Å
314E98.1Very high97.9Very high80 Ų8058.9 Ų58.937%0.37431%0.314SS..Hα-helixtrans-54.7-47.4176.1-66-170.3170.100112.7R309 N310 T316 R317 R318R309-E314 HydrophobicContact CG-CG 4Å; N310-E314 PolarHBondContact O-N 2.91Å; E314-T316 VanDerWaalsContact C-N 3.27Å; E314-T316 PolarHBondContact O-N 3.32Å; E314-R317 PolarHBondContact O-N 2.79Å; E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 VanDerWaalsContact O-N 3.1Å; E314-R318 IonicContact OE2-CZ 3.55Å; E314-R318 IonicContact OE2-NH1 3.49Å; E314-R318 PolarHBondContact OE2-NH1 3.22Å; E314-R318 IonicContact OE2-NH2 2.73Å; E314-R318 PolarHBondContact OE2-NH2 2.96Å
315N98Very high98Very high79 Ų7958.7 Ų58.742%0.42231%0.312SS..Hα-helixtrans-64.2-36.7179.8-167.729.1000111.3S311 I313 R318 H319S311-N315 VanDerWaalsContact O-CB 3.28Å; S311-N315 WeakPolarHBondContact O-CB 3.42Å; S311-N315 PolarHBondContact O-N 2.82Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 3.33Å; N315-R318 PolarHBondContact O-N 3.09Å; N315-H319 PolarHBondContact O-ND1 2.83Å; N315-H319 PolarHBondContact OD1-CE1 2.83Å
316T98.5Very high98Very high3 Ų353.5 Ų53.52%0.01828%0.276CS..Hα-helixtrans-65.2-43.9174.6-57.80000111.4T312 I313 E314 R318 H319 I320 V407 P423 C424T312-T316 WeakPolarHBondContact O-CB 3.38Å; T312-T316 PolarHBondContact O-N 3.1Å; T312-T316 PolarHBondContact O-OG1 2.9Å; I313-T316 WeakPolarHBondContact O-CB 3.48Å; I313-T316 PolarHBondContact O-N 2.79Å; I313-T316 VanDerWaalsContact O-N 3.1Å; E314-T316 VanDerWaalsContact C-N 3.27Å; E314-T316 PolarHBondContact O-N 3.32Å; T316-R318 VanDerWaalsContact C-N 3.34Å; T316-R318 PolarHBondContact O-N 3.31Å; T316-H319 PolarHBondContact O-N 3Å; T316-I320 PolarHBondContact O-N 3Å; T316-V407 HydrophobicContact CG2-CB 4.07Å; T316-V407 HydrophobicContact CG2-CG2 4.03Å; T316-P423 HydrophobicContact CG2-CB 4.09Å; T316-P423 HydrophobicContact CG2-CG 4.36Å; T316-P423 WeakPolarHBondContact OG1-CB 3.37Å; T316-P423 WeakPolarHBondContact OG1-CG 3.41Å; T316-C424 HydrophobicContact CG2-CB 3.85Å
317R98.5Very high98Very high26 Ų2652.9 Ų52.910%0.09827%0.271CS..Hα-helixtrans-57.3-43.2176.6-69.2168.963.477.24.6112.5Y266 E268 L301 G302 L304 R309 I313 E314 H319 I320 C424Y266-R317 PolarHBondContact OH-NH1 3.21Å; Y266-R317 VanDerWaalsContact OH-NH1 3.08Å; E268-R317 WeakPolarHBondContact OE1-CD 3.35Å; E268-R317 IonicContact OE1-CZ 2.65Å; E268-R317 IonicContact OE1-NE 3.31Å; E268-R317 IonicContact OE1-NH1 3.92Å; E268-R317 PolarHBondContact OE1-NH1 3.1Å; L301-R317 PolarHBondContact O-NH1 2.91Å; L301-R317 VanDerWaalsContact O-NH1 3.12Å; L301-R317 PolarHBondContact O-NH2 2.81Å; G302-R317 VanDerWaalsContact C-NH2 3.27Å; G302-R317 PolarHBondContact O-NH2 2.83Å; L304-R317 PolarHBondContact O-NH2 3.39Å; L304-R317 VanDerWaalsContact O-NH2 3.16Å; R309-R317 VanDerWaalsContact NH2-CZ 3.29Å; I313-R317 HydrophobicContact CG2-CG 4.35Å; I313-R317 WeakPolarHBondContact O-CG 3.26Å; I313-R317 PolarHBondContact O-N 3.08Å; E314-R317 PolarHBondContact O-N 2.79Å; R317-H319 PolarHBondContact O-N 3.14Å; R317-I320 WeakPolarHBondContact O-CB 3.34Å; R317-I320 PolarHBondContact O-N 2.93Å; R317-I320 VanDerWaalsContact O-N 3.11Å; R317-C424 VanDerWaalsContact CG-SG 3.53Å
318R98.1Very high98Very high160 Ų16046.7 Ų46.760%0.60423%0.232SC*.Hα-helixtrans-56.8-31.2175.7-67.4170.4-171.41149.7112.9E314 N315 T316E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3.43Å; E314-R318 VanDerWaalsContact O-N 3.1Å; E314-R318 IonicContact OE2-CZ 3.55Å; E314-R318 IonicContact OE2-NH1 3.49Å; E314-R318 PolarHBondContact OE2-NH1 3.22Å; E314-R318 IonicContact OE2-NH2 2.73Å; E314-R318 PolarHBondContact OE2-NH2 2.96Å; N315-R318 PolarHBondContact O-N 3.09Å; T316-R318 VanDerWaalsContact C-N 3.34Å; T316-R318 PolarHBondContact O-N 3.31Å
319H98.3Very high97.9Very high91 Ų9142.4 Ų42.442%0.42121%0.21SC..THydrogen-bonded Turntrans-92.4-1.8-178.7-69.182.6000114N315 T316 R317 S339 V407N315-H319 PolarHBondContact O-ND1 2.83Å; N315-H319 PolarHBondContact OD1-CE1 2.83Å; T316-H319 PolarHBondContact O-N 3Å; R317-H319 PolarHBondContact O-N 3.14Å; H319-S339 PolarHBondContact O-OG 2.83Å; H319-S339 VanDerWaalsContact O-OG 3.09Å; H319-V407 HydrophobicContact CB-CG1 4.12Å; H319-V407 HydrophobicContact CB-CG2 3.72Å
320I98.6Very high97.6Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..THydrogen-bonded Turntrans-64-47.3171.5-60.6177000109L301 T316 R317 K322 G323 S339 F406 C424L301-I320 HydrophobicContact CD1-CD1 4.14Å; T316-I320 PolarHBondContact O-N 3Å; R317-I320 WeakPolarHBondContact O-CB 3.34Å; R317-I320 PolarHBondContact O-N 2.93Å; R317-I320 VanDerWaalsContact O-N 3.11Å; I320-K322 PolarHBondContact O-N 2.77Å; I320-G323 WeakPolarHBondContact O-CA 3.28Å; I320-G323 PolarHBondContact O-N 3.24Å; I320-S339 WeakPolarHBondContact O-CB 3.29Å; I320-S339 PolarHBondContact O-OG 3.25Å; I320-F406 HydrophobicContact CD1-CB 4.41Å; I320-F406 HydrophobicContact CD1-CD2 4.32Å; I320-F406 HydrophobicContact CD1-CG 4.27Å; I320-F406 HydrophobicContact CG1-CB 3.92Å; I320-F406 HydrophobicContact CG1-CD1 4.35Å; I320-F406 HydrophobicContact CG1-CG 4.07Å; I320-F406 HydrophobicContact CG2-CD1 3.89Å; I320-F406 HydrophobicContact CG2-CE1 4.05Å; I320-F406 HydrophobicContact CG2-CG 4.39Å; I320-C424 HydrophobicContact CD1-CB 4.24Å
321G97.5Very high97.4Very high16 Ų1637.6 Ų37.617%0.16519%0.193CC..THydrogen-bonded Turntrans56.1-124.1178.700000111.4G288 G323G288-G321 PolarHBondContact N-O 3.32Å; G321-G323 PolarHBondContact O-N 3.01Å
322K97.3Very high97.4Very high87 Ų8735.3 Ų35.338%0.37817%0.173SC..THydrogen-bonded Turntrans-69.7-10.3175.4-39.4178.9-144.872.50113.9F289 I320 V324 L338 D340F289-K322 HydrophobicContact CE2-CG 4.45Å; F289-K322 HydrophobicContact CZ-CG 4.48Å; I320-K322 PolarHBondContact O-N 2.77Å; K322-V324 PolarHBondContact O-N 2.71Å; K322-L338 HydrophobicContact CB-CB 3.7Å; K322-L338 WeakPolarHBondContact CD-O 3.32Å; K322-L338 PolarHBondContact NZ-O 3.12Å; K322-D340 VanDerWaalsContact NZ-CG 3.27Å; K322-D340 IonicContact NZ-OD1 3.89Å; K322-D340 PolarHBondContact NZ-OD1 2.96Å; K322-D340 IonicContact NZ-OD2 2.86Å; K322-D340 PolarHBondContact NZ-OD2 2.73Å
323G98.3Very high97.4Very high0 Ų032 Ų320%015%0.153CC..  trans61.6-118.3173.900000114.4I286 I320 G321 L338 S339I286-G323 CarbonylContact O-C 3.57Å; I286-G323 VanDerWaalsContact O-CA 3.29Å; I286-G323 WeakPolarHBondContact O-CA 3.47Å; I320-G323 WeakPolarHBondContact O-CA 3.28Å; I320-G323 PolarHBondContact O-N 3.24Å; G321-G323 PolarHBondContact O-N 3.01Å; G323-L338 PolarHBondContact O-N 3.4Å; G323-L338 VanDerWaalsContact O-N 3.12Å; G323-S339 WeakPolarHBondContact O-CB 3.46Å; G323-S339 PolarHBondContact O-N 3.15Å
324V98.7Very high97.4Very high0 Ų034.9 Ų34.90%016%0.164CC..EExtended strand (participates in β ladder)trans-139.8137-172.657.10000110.7I285 I286 K322 L326 A335 E336 I343 M404 F406I285-V324 WeakPolarHBondContact CA-O 3.29Å; I286-V324 HydrophobicContact CB-CG1 3.84Å; I286-V324 HydrophobicContact CD1-CG1 4.06Å; I286-V324 HydrophobicContact CG1-CG1 4.22Å; I286-V324 PolarHBondContact N-O 3.46Å; I286-V324 PolarHBondContact O-N 3.29Å; K322-V324 PolarHBondContact O-N 2.71Å; V324-L326 HydrophobicContact CG2-CD2 3.96Å; V324-L326 HydrophobicContact CG2-CG 4.45Å; V324-A335 HydrophobicContact CG2-CB 4.05Å; V324-E336 WeakPolarHBondContact CA-O 3.38Å; V324-E336 WeakPolarHBondContact CG2-O 3.23Å; V324-I343 HydrophobicContact CB-CD1 3.85Å; V324-I343 HydrophobicContact CG2-CD1 3.48Å; V324-I343 VanDerWaalsContact CG2-CD1 3.48Å; V324-M404 HydrophobicContact CB-CE 4.4Å; V324-M404 HydrophobicContact CB-SD 4.34Å; V324-M404 HydrophobicContact CG1-CE 3.53Å; V324-M404 HydrophobicContact CG1-SD 4.05Å; V324-M404 HydrophobicContact CG2-CE 4.21Å; V324-M404 HydrophobicContact CG2-SD 3.95Å; V324-F406 HydrophobicContact CB-CE1 4.4Å; V324-F406 HydrophobicContact CG1-CE1 3.74Å; V324-F406 HydrophobicContact CG1-CZ 3.95Å
325H98.2Very high97.4Very high20 Ų2031 Ų319%0.09315%0.146CC..EExtended strand (participates in β ladder)trans-96118.6168.3172.7-152.2000108.4H106 S283 I284 I285 Y327 A335 E336 L338H106-H325 AromaticContact CD2-CE1 3.82Å; H106-H325 AromaticContact NE2-CE1 3.41Å; H106-H325 PolarHBondContact NE2-CE1 2.78Å; H106-H325 AromaticContact NE2-ND1 3.87Å; S283-H325 PolarHBondContact OG-NE2 3.33Å; I284-H325 WeakPolarHBondContact O-CA 3.4Å; I284-H325 PolarHBondContact O-CD2 3.26Å; I285-H325 HydrophobicContact CG1-CB 4.31Å; H325-Y327 AromaticContact CE1-CD1 3.51Å; H325-Y327 AromaticContact ND1-CD1 3.76Å; H325-Y327 AromaticContact NE2-CD1 3.81Å; H325-A335 WeakPolarHBondContact O-CA 3.38Å; H325-E336 HydrophobicContact CB-CB 4.35Å; H325-E336 PolarHBondContact N-O 2.88Å; H325-E336 PolarHBondContact O-N 2.81Å; H325-L338 HydrophobicContact CB-CD1 3.79Å; H325-L338 HydrophobicContact CB-CD2 4.45Å; H325-L338 HydrophobicContact CB-CG 3.94Å
326L98.2Very high97.4Very high1 Ų129.6 Ų29.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-100.1133.5169.5-60179.8000108.5W261 I264 I284 I286 V324 Y334 A335 I372 M404 I428W261-L326 HydrophobicContact CH2-CB 4.26Å; I264-L326 HydrophobicContact CD1-CD1 4.14Å; I284-L326 HydrophobicContact CD1-CB 4.26Å; I284-L326 HydrophobicContact CD1-CD1 4.37Å; I284-L326 HydrophobicContact CG1-CB 3.83Å; I284-L326 PolarHBondContact N-O 3.45Å; I284-L326 PolarHBondContact O-N 3.41Å; I284-L326 VanDerWaalsContact O-O 3.13Å; I286-L326 HydrophobicContact CD1-CD1 3.77Å; I286-L326 HydrophobicContact CD1-CG 4.41Å; I286-L326 HydrophobicContact CG1-CD1 4.5Å; V324-L326 HydrophobicContact CG2-CD2 3.96Å; V324-L326 HydrophobicContact CG2-CG 4.45Å; L326-Y334 WeakPolarHBondContact CA-O 3.46Å; L326-A335 HydrophobicContact CD2-CB 3.61Å; L326-I372 HydrophobicContact CD2-CD1 4.16Å; L326-M404 HydrophobicContact CD1-CE 4.48Å; L326-M404 HydrophobicContact CD2-CE 4.23Å; L326-I428 HydrophobicContact CD1-CD1 3.65Å; L326-I428 HydrophobicContact CD1-CG1 4.38Å; L326-I428 HydrophobicContact CD2-CD1 4.49Å
327Y97.1Very high97.4Very high16 Ų1629.5 Ų29.56%0.06314%0.136CC..EExtended strand (participates in β ladder)trans-138.7140.217357.9-89.9000112.2H106 L282 H325 V329 V333 Y334 E336 S369H106-Y327 HydrophobicContact CB-CD2 3.79Å; H106-Y327 HydrophobicContact CB-CE2 3.63Å; H106-Y327 AromaticContact CD2-CD1 3.55Å; H106-Y327 AromaticContact CD2-CD2 3.58Å; H106-Y327 AromaticContact CD2-CE1 3.57Å; H106-Y327 AromaticContact CD2-CE2 3.61Å; H106-Y327 AromaticContact CD2-CG 3.56Å; H106-Y327 AromaticContact CD2-CZ 3.61Å; H106-Y327 AromaticContact CE1-CE1 3.59Å; H106-Y327 AromaticContact CE1-CZ 3.51Å; H106-Y327 AromaticContact CG-CD2 3.72Å; H106-Y327 AromaticContact CG-CE2 3.4Å; H106-Y327 AromaticContact CG-CZ 3.59Å; H106-Y327 AromaticContact ND1-CE2 3.77Å; H106-Y327 AromaticContact ND1-CZ 3.53Å; H106-Y327 AromaticContact NE2-CD1 3.61Å; H106-Y327 AromaticContact NE2-CE1 3.34Å; H106-Y327 VanDerWaalsContact NE2-CE1 3.34Å; H106-Y327 WeakPolarHBondContact NE2-CE1 3.31Å; H106-Y327 AromaticContact NE2-CZ 3.64Å; L282-Y327 CarbonylContact O-C 3.55Å; L282-Y327 VanDerWaalsContact O-CA 3.23Å; L282-Y327 WeakPolarHBondContact O-CA 3.28Å; H325-Y327 AromaticContact CE1-CD1 3.51Å; H325-Y327 AromaticContact ND1-CD1 3.76Å; H325-Y327 AromaticContact NE2-CD1 3.81Å; Y327-V329 HydrophobicContact CD2-CG1 3.82Å; Y327-V329 HydrophobicContact CE2-CG1 4.05Å; Y327-V333 WeakPolarHBondContact O-CA 3.41Å; Y327-Y334 AromaticContact CD2-CD2 3.82Å; Y327-Y334 HydrophobicContact CD2-CD2 3.82Å; Y327-Y334 HydrophobicContact CD2-CG 4.14Å; Y327-Y334 HydrophobicContact CE1-CG 4.44Å; Y327-Y334 VanDerWaalsContact CE2-CB 3.42Å; Y327-Y334 HydrophobicContact CE2-CD1 4.2Å; Y327-Y334 AromaticContact CE2-CD2 3.31Å; Y327-Y334 HydrophobicContact CE2-CD2 3.31Å; Y327-Y334 HydrophobicContact CE2-CE2 4.06Å; Y327-Y334 AromaticContact CE2-CG 3.39Å; Y327-Y334 HydrophobicContact CE2-CG 3.39Å; Y327-Y334 AromaticContact CZ-CG 3.57Å; Y327-Y334 PolarHBondContact N-O 3.3Å; Y327-Y334 PolarHBondContact O-N 2.99Å; Y327-E336 HydrophobicContact CE1-CB 4.41Å; Y327-S369 PolarHBondContact OH-OG 2.87Å
328Y96.6Very high97.4Very high14 Ų1430.6 Ų30.66%0.05514%0.143CC..EExtended strand (participates in β ladder)trans-109.6118.5177.1176.7-129.3000108.7E257 W261 L282 E332 V333 N375E257-Y328 VanDerWaalsContact CD-OH 3.3Å; E257-Y328 PolarHBondContact OE1-OH 2.98Å; E257-Y328 WeakPolarHBondContact OE2-CE1 3.42Å; E257-Y328 PolarHBondContact OE2-OH 2.9Å; W261-Y328 HydrophobicContact CB-CD1 3.95Å; W261-Y328 HydrophobicContact CB-CE1 4.32Å; W261-Y328 HydrophobicContact CD2-CD1 4.26Å; W261-Y328 HydrophobicContact CD2-CG 4.21Å; W261-Y328 HydrophobicContact CE3-CG 4.16Å; W261-Y328 HydrophobicContact CG-CD1 4.01Å; W261-Y328 HydrophobicContact CG-CG 4.44Å; L282-Y328 HydrophobicContact CD2-CD1 3.75Å; L282-Y328 HydrophobicContact CD2-CE1 4.49Å; L282-Y328 PolarHBondContact O-N 2.96Å; Y328-E332 WeakPolarHBondContact CA-O 3.47Å; Y328-E332 WeakPolarHBondContact CD2-O 3.21Å; Y328-V333 HydrophobicContact CD2-CG2 3.69Å; Y328-V333 HydrophobicContact CE2-CG2 4.42Å; Y328-V333 HydrophobicContact CG-CG2 4.43Å; Y328-N375 PolarHBondContact OH-ND2 3.07Å
329V94.6Very high97.4Very high16 Ų1623.1 Ų23.110%0.09712%0.116CC..EExtended strand (participates in β ladder)trans-150133.1-17462.80000110.6H106 E107 V135 Y327 G331 E332 Y334H106-V329 HydrophobicContact CB-CG1 4.4Å; E107-V329 HydrophobicContact CB-CG2 4.46Å; E107-V329 HydrophobicContact CG-CG2 4.11Å; V135-V329 HydrophobicContact CB-CG2 3.81Å; V135-V329 HydrophobicContact CG1-CG2 3.92Å; V135-V329 HydrophobicContact CG2-CG2 4.42Å; Y327-V329 HydrophobicContact CD2-CG1 3.82Å; Y327-V329 HydrophobicContact CE2-CG1 4.05Å; V329-G331 PolarHBondContact O-N 3.26Å; V329-G331 VanDerWaalsContact O-N 3.17Å; V329-E332 PolarHBondContact N-O 2.87Å; V329-E332 PolarHBondContact O-N 2.84Å; V329-Y334 HydrophobicContact CG1-CD2 4.05Å; V329-Y334 HydrophobicContact CG1-CE2 3.81Å
330G91.6Very high97.4Very high14 Ų1424.5 Ų24.514%0.14413%0.126CC..THydrogen-bonded Turntrans59.826.6176.900000114.9P138 E332P138-G330 WeakPolarHBondContact CD-O 3.33Å; G330-E332 VanDerWaalsContact C-N 3.33Å
331G94.5Very high97.4Very high6 Ų625.9 Ų25.96%0.06214%0.136CC..THydrogen-bonded Turntrans79.57.8-172.800000115S137 V329 N375S137-G331 PolarHBondContact OG-N 3.26Å; V329-G331 PolarHBondContact O-N 3.26Å; V329-G331 VanDerWaalsContact O-N 3.17Å; G331-N375 VanDerWaalsContact O-CB 3.28Å; G331-N375 WeakPolarHBondContact O-CB 3.26Å; G331-N375 PolarHBondContact O-N 3.39Å
332E97.3Very high97.4Very high38 Ų3826 Ų2618%0.17814%0.135CC..EExtended strand (participates in β ladder)trans-119.7141.7-179.5-48.9-146.6113.800111.4Y328 V329 G330 Y334 K371 F373 S374Y328-E332 WeakPolarHBondContact CA-O 3.47Å; Y328-E332 WeakPolarHBondContact CD2-O 3.21Å; V329-E332 PolarHBondContact N-O 2.87Å; V329-E332 PolarHBondContact O-N 2.84Å; G330-E332 VanDerWaalsContact C-N 3.33Å; E332-Y334 HydrophobicContact CB-CE2 3.88Å; E332-K371 HydrophobicContact CB-CD 3.9Å; E332-K371 HydrophobicContact CG-CD 4.16Å; E332-K371 WeakPolarHBondContact OE1-CD 3.12Å; E332-K371 IonicContact OE1-NZ 2.72Å; E332-K371 PolarHBondContact OE1-NZ 3.43Å; E332-K371 WeakPolarHBondContact OE2-CD 3.26Å; E332-K371 IonicContact OE2-NZ 2.73Å; E332-K371 PolarHBondContact OE2-NZ 3.06Å; E332-F373 CarbonylContact C-O 3.46Å; E332-F373 WeakPolarHBondContact CA-O 3.39Å; E332-S374 WeakPolarHBondContact OE1-CB 3.48Å; E332-S374 PolarHBondContact OE1-OG 3.42Å
333V98.2Very high97.5Very high3 Ų322 Ų222%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-108.3133.2177.9-172.80000109.6W261 Y327 Y328 I372 F373 L430W261-V333 HydrophobicContact CE3-CG2 4.35Å; W261-V333 HydrophobicContact CH2-CG1 3.97Å; W261-V333 HydrophobicContact CZ3-CG1 3.7Å; W261-V333 HydrophobicContact CZ3-CG2 3.91Å; Y327-V333 WeakPolarHBondContact O-CA 3.41Å; Y328-V333 HydrophobicContact CD2-CG2 3.69Å; Y328-V333 HydrophobicContact CE2-CG2 4.42Å; Y328-V333 HydrophobicContact CG-CG2 4.43Å; V333-I372 HydrophobicContact CB-CG1 4.1Å; V333-I372 HydrophobicContact CG1-CD1 3.88Å; V333-I372 HydrophobicContact CG1-CG1 3.83Å; V333-I372 WeakPolarHBondContact O-CG1 3.45Å; V333-I372 PolarHBondContact O-N 3.13Å; V333-F373 HydrophobicContact CB-CB 3.89Å; V333-F373 HydrophobicContact CG2-CB 4.03Å; V333-F373 PolarHBondContact N-O 3.4Å; V333-F373 PolarHBondContact O-N 3.39Å; V333-F373 VanDerWaalsContact O-N 3.1Å; V333-L430 HydrophobicContact CG2-CD1 4.42Å; V333-L430 HydrophobicContact CG2-CD2 4.22Å
334Y98.5Very high97.5Very high61 Ų6122.5 Ų22.524%0.23912%0.119CC..EExtended strand (participates in β ladder)trans-119.8156.6178.2-65.3-101.3000111.9L326 Y327 V329 E332 L370 K371L326-Y334 WeakPolarHBondContact CA-O 3.46Å; Y327-Y334 AromaticContact CD2-CD2 3.82Å; Y327-Y334 HydrophobicContact CD2-CD2 3.82Å; Y327-Y334 HydrophobicContact CD2-CG 4.14Å; Y327-Y334 HydrophobicContact CE1-CG 4.44Å; Y327-Y334 VanDerWaalsContact CE2-CB 3.42Å; Y327-Y334 HydrophobicContact CE2-CD1 4.2Å; Y327-Y334 AromaticContact CE2-CD2 3.31Å; Y327-Y334 HydrophobicContact CE2-CD2 3.31Å; Y327-Y334 HydrophobicContact CE2-CE2 4.06Å; Y327-Y334 AromaticContact CE2-CG 3.39Å; Y327-Y334 HydrophobicContact CE2-CG 3.39Å; Y327-Y334 AromaticContact CZ-CG 3.57Å; Y327-Y334 PolarHBondContact N-O 3.3Å; Y327-Y334 PolarHBondContact O-N 2.99Å; V329-Y334 HydrophobicContact CG1-CD2 4.05Å; V329-Y334 HydrophobicContact CG1-CE2 3.81Å; E332-Y334 HydrophobicContact CB-CE2 3.88Å; Y334-L370 CarbonylContact C-O 3.59Å; Y334-L370 VanDerWaalsContact CA-O 3.28Å; Y334-L370 WeakPolarHBondContact CA-O 3.19Å; Y334-K371 HydrophobicContact CD1-CB 3.93Å; Y334-K371 HydrophobicContact CE1-CB 3.73Å; Y334-K371 HydrophobicContact CE1-CG 4.42Å
335A98.7Very high97.5Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-127.5119.716800000110.6V324 H325 L326 I364 S369 L370 I372V324-A335 HydrophobicContact CG2-CB 4.05Å; H325-A335 WeakPolarHBondContact O-CA 3.38Å; L326-A335 HydrophobicContact CD2-CB 3.61Å; A335-I364 HydrophobicContact CB-CD1 3.96Å; A335-S369 WeakPolarHBondContact O-CA 3.31Å; A335-L370 PolarHBondContact N-O 2.86Å; A335-L370 PolarHBondContact O-N 3.31Å; A335-I372 HydrophobicContact CB-CD1 4.16Å; A335-I372 HydrophobicContact CB-CG2 3.92Å
336E98.4Very high97.6Very high49 Ų4923.3 Ų23.323%0.22912%0.123CC..EExtended strand (participates in β ladder)trans-108.1125.3174.7-174.9175.8136.100110.9H106 V324 H325 Y327 L338 C368H106-E336 IonicContact CE1-OE2 2.83Å; V324-E336 WeakPolarHBondContact CA-O 3.38Å; V324-E336 WeakPolarHBondContact CG2-O 3.23Å; H325-E336 HydrophobicContact CB-CB 4.35Å; H325-E336 PolarHBondContact N-O 2.88Å; H325-E336 PolarHBondContact O-N 2.81Å; Y327-E336 HydrophobicContact CE1-CB 4.41Å; E336-L338 HydrophobicContact CG-CD2 4.22Å; E336-L338 PolarHBondContact O-N 3.34Å; E336-L338 VanDerWaalsContact O-N 3.12Å; E336-C368 WeakPolarHBondContact CA-O 3.44Å
337C98.6Very high97.6Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-81.690.5-176.9-172.80000111.4S339 S341 I343 I364 P365 G367 C368C337-S339 VanDerWaalsContact C-N 3.31Å; C337-S341 PolarHBondContact SG-O 2.81Å; C337-S341 VanDerWaalsContact SG-O 3.35Å; C337-I343 HydrophobicContact CB-CD1 3.86Å; C337-I343 HydrophobicContact CB-CG1 4Å; C337-I364 HydrophobicContact CB-CB 4.49Å; C337-I364 HydrophobicContact CB-CG2 3.91Å; C337-P365 VanDerWaalsContact CB-O 3.27Å; C337-P365 WeakPolarHBondContact CB-O 3.41Å; C337-G367 PolarHBondContact O-N 2.95Å; C337-C368 PolarHBondContact N-O 2.92Å
338L98.1Very high97.7Very high49 Ų4926.1 Ų26.126%0.25713%0.134SC..  trans-75-21175.5-59.1-171.5000113.5I285 K322 G323 H325 E336I285-L338 HydrophobicContact CD1-CD1 4.23Å; I285-L338 HydrophobicContact CG1-CD1 4.34Å; K322-L338 HydrophobicContact CB-CB 3.7Å; K322-L338 WeakPolarHBondContact CD-O 3.32Å; K322-L338 PolarHBondContact NZ-O 3.12Å; G323-L338 PolarHBondContact O-N 3.4Å; G323-L338 VanDerWaalsContact O-N 3.12Å; H325-L338 HydrophobicContact CB-CD1 3.79Å; H325-L338 HydrophobicContact CB-CD2 4.45Å; H325-L338 HydrophobicContact CB-CG 3.94Å; E336-L338 HydrophobicContact CG-CD2 4.22Å; E336-L338 PolarHBondContact O-N 3.34Å; E336-L338 VanDerWaalsContact O-N 3.12Å
339S98.4Very high97.7Very high3 Ų325.7 Ų25.72%0.02113%0.132CC..SBendtrans-64.7145.2174.6-173.70000111.6H319 I320 G323 C337 S341 P366H319-S339 PolarHBondContact O-OG 2.83Å; H319-S339 VanDerWaalsContact O-OG 3.09Å; I320-S339 WeakPolarHBondContact O-CB 3.29Å; I320-S339 PolarHBondContact O-OG 3.25Å; G323-S339 WeakPolarHBondContact O-CB 3.46Å; G323-S339 PolarHBondContact O-N 3.15Å; C337-S339 VanDerWaalsContact C-N 3.31Å; S339-S341 VanDerWaalsContact CB-O 3.3Å; S339-S341 WeakPolarHBondContact CB-O 3.37Å; S339-S341 PolarHBondContact O-N 2.98Å; S339-S341 PolarHBondContact OG-N 2.86Å; S339-S341 VanDerWaalsContact OG-N 3.13Å; S339-S341 PolarHBondContact OG-O 3.06Å; S339-P366 VanDerWaalsContact O-CB 3.27Å; S339-P366 WeakPolarHBondContact O-CB 3.29Å; S339-P366 WeakPolarHBondContact O-CG 3.27Å
340D98.4Very high97.9Very high121 Ų12125.1 Ų25.165%0.64713%0.129SC*.SBendtrans-75.7-2172.5-45.1-72000111.5K322 P366K322-D340 VanDerWaalsContact NZ-CG 3.27Å; K322-D340 IonicContact NZ-OD1 3.89Å; K322-D340 PolarHBondContact NZ-OD1 2.96Å; K322-D340 IonicContact NZ-OD2 2.86Å; K322-D340 PolarHBondContact NZ-OD2 2.73Å; D340-P366 WeakPolarHBondContact O-CG 3.3Å
341S98.4Very high98.2Very high29 Ų2924.4 Ų24.420%0.20312%0.122CC..SBendtrans-116.1143.3168.8-71.90000111.4C337 S339C337-S341 PolarHBondContact SG-O 2.81Å; C337-S341 VanDerWaalsContact SG-O 3.35Å; S339-S341 VanDerWaalsContact CB-O 3.3Å; S339-S341 WeakPolarHBondContact CB-O 3.37Å; S339-S341 PolarHBondContact O-N 2.98Å; S339-S341 PolarHBondContact OG-N 2.86Å; S339-S341 VanDerWaalsContact OG-N 3.13Å; S339-S341 PolarHBondContact OG-O 3.06Å
342S98.6Very high98.3Very high20 Ų2029 Ų2914%0.1414%0.138CC..  trans-60.2146.7179.7-51.20000113.4F344 K363 I364 V407S342-F344 WeakPolarHBondContact O-CE2 3.44Å; S342-K363 WeakPolarHBondContact OG-CE 3.22Å; S342-I364 WeakPolarHBondContact CA-O 3.35Å; S342-I364 WeakPolarHBondContact CB-O 3.24Å; S342-V407 WeakPolarHBondContact O-CA 3.36Å; S342-V407 PolarHBondContact O-N 3.24Å
343I98.8Very high98.3Very high1 Ų131.4 Ų31.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-101.1161163.862.6-173.6000109.9V324 C337 I364 M404 S405 F406V324-I343 HydrophobicContact CB-CD1 3.85Å; V324-I343 HydrophobicContact CG2-CD1 3.48Å; V324-I343 VanDerWaalsContact CG2-CD1 3.48Å; C337-I343 HydrophobicContact CB-CD1 3.86Å; C337-I343 HydrophobicContact CB-CG1 4Å; I343-I364 HydrophobicContact CD1-CB 4.27Å; I343-I364 HydrophobicContact CD1-CD1 4.04Å; I343-I364 HydrophobicContact CG1-CB 3.73Å; I343-I364 HydrophobicContact CG1-CD1 4.14Å; I343-I364 HydrophobicContact CG1-CG1 4.3Å; I343-I364 HydrophobicContact CG1-CG2 4.48Å; I343-I364 PolarHBondContact N-O 2.71Å; I343-I364 VanDerWaalsContact N-O 3.16Å; I343-I364 PolarHBondContact O-N 2.92Å; I343-M404 HydrophobicContact CB-CG 4.4Å; I343-M404 HydrophobicContact CB-SD 4.46Å; I343-M404 HydrophobicContact CD1-SD 3.9Å; I343-S405 WeakPolarHBondContact CA-O 3.44Å; I343-F406 HydrophobicContact CG2-CD1 3.76Å; I343-F406 HydrophobicContact CG2-CE1 4.22Å
344F98.8Very high98.2Very high12 Ų1234 Ų345%0.05316%0.161CC..EExtended strand (participates in β ladder)trans-135125.6-174.6-59.1-96.9000108.2S342 V361 C362 K363 M404 S405 G409 W410 Y414S342-F344 WeakPolarHBondContact O-CE2 3.44Å; F344-V361 HydrophobicContact CB-CG1 3.87Å; F344-C362 CarbonylContact C-O 3.15Å; F344-C362 WeakPolarHBondContact CA-O 3.36Å; F344-K363 HydrophobicContact CD1-CB 3.82Å; F344-K363 HydrophobicContact CD1-CG 3.97Å; F344-K363 HydrophobicContact CE1-CB 3.85Å; F344-K363 HydrophobicContact CE1-CD 3.86Å; F344-K363 HydrophobicContact CE1-CG 3.58Å; F344-K363 HydrophobicContact CZ-CD 4.34Å; F344-K363 HydrophobicContact CZ-CG 4.14Å; F344-M404 CarbonylContact O-C 3.56Å; F344-M404 WeakPolarHBondContact O-CA 3.39Å; F344-S405 PolarHBondContact N-O 3.1Å; F344-S405 PolarHBondContact O-N 3.49Å; F344-G409 VanDerWaalsContact CD1-CA 3.43Å; F344-G409 VanDerWaalsContact CG-CA 3.49Å; F344-W410 HydrophobicContact CB-CE3 4.18Å; F344-W410 HydrophobicContact CB-CZ3 3.77Å; F344-W410 VanDerWaalsContact O-CZ3 3.26Å; F344-W410 WeakPolarHBondContact O-CZ3 3.37Å; F344-Y414 HydrophobicContact CD1-CE1 4.49Å; F344-Y414 HydrophobicContact CD1-CE2 4.49Å; F344-Y414 AromaticContact CE1-CE1 3.87Å; F344-Y414 HydrophobicContact CE1-CE1 3.87Å; F344-Y414 AromaticContact CE1-CZ 3.71Å; F344-Y414 WeakPolarHBondContact CE1-OH 3.32Å
345V98.7Very high98.1Very high2 Ų238.4 Ų38.41%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-125.4129.4-168.9-178.80000111.3V361 C362 I364 I372 I402 R403 M404V345-V361 CarbonylContact O-C 3.57Å; V345-V361 WeakPolarHBondContact O-CA 3.14Å; V345-C362 PolarHBondContact N-O 3.04Å; V345-C362 PolarHBondContact O-N 3.17Å; V345-I364 HydrophobicContact CG2-CD1 3.68Å; V345-I364 HydrophobicContact CG2-CG1 4.41Å; V345-I372 HydrophobicContact CG1-CG2 3.98Å; V345-I402 HydrophobicContact CG1-CG2 3.68Å; V345-R403 CarbonylContact C-O 3.58Å; V345-R403 WeakPolarHBondContact CA-O 3.35Å; V345-M404 HydrophobicContact CG2-CB 4.19Å; V345-M404 HydrophobicContact CG2-CG 3.87Å; V345-M404 HydrophobicContact CG2-SD 3.9Å
346Q98.7Very high98.1Very high35 Ų3540.1 Ų40.116%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-108.4104.1166.1-177.5179.781.900108.1T359 V361 R403 W410Q346-T359 PolarHBondContact NE2-O 3.17Å; Q346-V361 HydrophobicContact CB-CG2 4.31Å; Q346-R403 HydrophobicContact CB-CB 4.47Å; Q346-R403 PolarHBondContact N-O 3.38Å; Q346-R403 PolarHBondContact O-N 3.27Å; Q346-W410 HydrophobicContact CB-CH2 4.14Å; Q346-W410 HydrophobicContact CB-CZ2 3.59Å
347S98.6Very high98Very high1 Ų143.7 Ų43.71%0.00721%0.213CC..  trans-122.2120.9169168.20000108.4N349 C350 N351 I372S347-N349 PolarHBondContact O-N 2.87Å; S347-N349 PolarHBondContact OG-N 3.26Å; S347-C350 PolarHBondContact O-N 2.94Å; S347-C350 PolarHBondContact OG-N 3.49Å; S347-N351 WeakPolarHBondContact O-CB 3.49Å; S347-N351 PolarHBondContact O-N 3.3Å; S347-N351 PolarHBondContact O-ND2 3.2Å; S347-I372 VanDerWaalsContact CB-O 3.29Å; S347-I372 WeakPolarHBondContact CB-O 3.1Å; S347-I372 PolarHBondContact OG-O 3.36Å
348R98.4Very high98Very high75 Ų7546.6 Ų46.628%0.28323%0.231SC..Hα-helixtrans-64.8-28.5177.7-63.1-163.7171.9-161-7.3112.5Y352 P358 K398 M399R348-Y352 VanDerWaalsContact O-CB 3.31Å; R348-Y352 WeakPolarHBondContact O-CB 3.44Å; R348-Y352 PolarHBondContact O-N 3.45Å; R348-P358 HydrophobicContact CG-CB 4.43Å; R348-K398 VanDerWaalsContact CD-O 3.29Å; R348-K398 WeakPolarHBondContact CD-O 3.47Å; R348-K398 WeakPolarHBondContact CG-O 3.47Å; R348-M399 HydrophobicContact CB-CE 4.07Å; R348-M399 HydrophobicContact CB-SD 3.4Å; R348-M399 WeakPolarHBondContact CB-SD 3.16Å; R348-M399 HydrophobicContact CG-SD 4.45Å
349N98.4Very high97.9Very high4 Ų447.6 Ų47.62%0.02124%0.24CC..Hα-helixtrans-70-49.3174.8-176.4-110000111.1S347 N351 Y352 H353 F373 S374 E377 M399S347-N349 PolarHBondContact O-N 2.87Å; S347-N349 PolarHBondContact OG-N 3.26Å; N349-N351 VanDerWaalsContact C-N 3.27Å; N349-N351 PolarHBondContact O-N 3.35Å; N349-Y352 PolarHBondContact O-N 3.31Å; N349-H353 PolarHBondContact O-N 3.12Å; N349-F373 HydrophobicContact CB-CD2 3.46Å; N349-F373 VanDerWaalsContact CB-CD2 3.46Å; N349-F373 HydrophobicContact CB-CE2 3.68Å; N349-F373 HydrophobicContact CB-CG 4.34Å; N349-F373 VanDerWaalsContact OD1-CA 3.26Å; N349-F373 WeakPolarHBondContact OD1-CA 3.35Å; N349-S374 PolarHBondContact OD1-N 2.87Å; N349-E377 PolarHBondContact ND2-OE1 2.89Å; N349-M399 HydrophobicContact CB-CE 3.97Å
350C98Very high97.9Very high4 Ų448.9 Ų48.93%0.02725%0.248CC..Hα-helixtrans-57.4-40.2173.1-174.80000112.3S347 H354S347-C350 PolarHBondContact O-N 2.94Å; S347-C350 PolarHBondContact OG-N 3.49Å; C350-H354 PolarHBondContact O-N 2.86Å; C350-H354 PolarHBondContact O-ND1 3.38Å
351N98.1Very high97.9Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-66.3-43.5177.5-69.6-20.4000111.6S347 N349 H354 N355 F356 H357 P358 T360S347-N351 WeakPolarHBondContact O-CB 3.49Å; S347-N351 PolarHBondContact O-N 3.3Å; S347-N351 PolarHBondContact O-ND2 3.2Å; N349-N351 VanDerWaalsContact C-N 3.27Å; N349-N351 PolarHBondContact O-N 3.35Å; N351-H354 PolarHBondContact O-N 2.92Å; N351-N355 PolarHBondContact O-N 3.07Å; N351-N355 VanDerWaalsContact O-N 3.13Å; N351-F356 HydrophobicContact CB-CB 4.13Å; N351-F356 PolarHBondContact O-N 2.89Å; N351-H357 PolarHBondContact ND2-O 2.82Å; N351-P358 PolarHBondContact ND2-O 3.02Å; N351-T360 PolarHBondContact ND2-N 3.05Å; N351-T360 PolarHBondContact ND2-O 3.21Å
352Y97.2Very high97.9Very high103 Ų10343.2 Ų43.240%0.40422%0.216SC..Hα-helixtrans-60.1-47.8175.5-178-96.2000111.9R348 N349 H354 N355 E377 L381R348-Y352 VanDerWaalsContact O-CB 3.31Å; R348-Y352 WeakPolarHBondContact O-CB 3.44Å; R348-Y352 PolarHBondContact O-N 3.45Å; N349-Y352 PolarHBondContact O-N 3.31Å; Y352-H354 VanDerWaalsContact C-N 3.27Å; Y352-H354 PolarHBondContact O-N 3.19Å; Y352-N355 PolarHBondContact O-N 3.16Å; Y352-E377 HydrophobicContact CD1-CG 4.12Å; Y352-E377 HydrophobicContact CE1-CG 4.28Å; Y352-L381 HydrophobicContact CE2-CD1 4.44Å
353H96.5Very high97.9Very high88 Ų8846.7 Ų46.741%0.40723%0.229SC..Hα-helixtrans-52.8-41.8177.2-169.576.3000113.5N349 E377N349-H353 PolarHBondContact O-N 3.12Å; H353-E377 WeakPolarHBondContact CB-OE2 3.17Å; H353-E377 IonicContact CE1-OE2 3.75Å; H353-E377 IonicContact CG-OE2 3.3Å; H353-E377 IonicContact ND1-OE2 2.83Å; H353-E377 PolarHBondContact ND1-OE2 2.85Å
354H96.2Very high97.9Very high58 Ų5846.7 Ų46.727%0.26923%0.229SC..THydrogen-bonded Turntrans-935.6-177.6-61.189000113.6C350 N351 Y352 F356C350-H354 PolarHBondContact O-N 2.86Å; C350-H354 PolarHBondContact O-ND1 3.38Å; N351-H354 PolarHBondContact O-N 2.92Å; Y352-H354 VanDerWaalsContact C-N 3.27Å; Y352-H354 PolarHBondContact O-N 3.19Å; H354-F356 HydrophobicContact CB-CD1 4Å; H354-F356 HydrophobicContact CB-CD2 3.81Å; H354-F356 HydrophobicContact CB-CE1 3.81Å; H354-F356 HydrophobicContact CB-CE2 3.63Å; H354-F356 HydrophobicContact CB-CG 4Å; H354-F356 HydrophobicContact CB-CZ 3.63Å; H354-F356 WeakPolarHBondContact O-CD1 3.25Å; H354-F356 PolarHBondContact O-N 2.6Å
355N96.9Very high97.8Very high152 Ų15248 Ų4881%0.81324%0.238SC*.THydrogen-bonded Turntrans5731-173.5-55.1-85.8000114.1N351 Y352N351-N355 PolarHBondContact O-N 3.07Å; N351-N355 VanDerWaalsContact O-N 3.13Å; Y352-N355 PolarHBondContact O-N 3.16Å
356F97.3Very high97.8Very high37 Ų3750.7 Ų50.716%0.16226%0.256CS..  trans-84.9156.5172.9-58.4-20.3000111.2P191 V194 N351 H354 T360P191-F356 HydrophobicContact CG-CE1 3.66Å; P191-F356 HydrophobicContact CG-CZ 4.19Å; V194-F356 HydrophobicContact CG2-CE2 3.92Å; V194-F356 HydrophobicContact CG2-CZ 4.16Å; N351-F356 HydrophobicContact CB-CB 4.13Å; N351-F356 PolarHBondContact O-N 2.89Å; H354-F356 HydrophobicContact CB-CD1 4Å; H354-F356 HydrophobicContact CB-CD2 3.81Å; H354-F356 HydrophobicContact CB-CE1 3.81Å; H354-F356 HydrophobicContact CB-CE2 3.63Å; H354-F356 HydrophobicContact CB-CG 4Å; H354-F356 HydrophobicContact CB-CZ 3.63Å; H354-F356 WeakPolarHBondContact O-CD1 3.25Å; H354-F356 PolarHBondContact O-N 2.6Å; F356-T360 HydrophobicContact CB-CG2 4.11Å; F356-T360 HydrophobicContact CD2-CG2 3.97Å; F356-T360 HydrophobicContact CG-CG2 4.29Å
357H97.6Very high97.7Very high123 Ų12351.6 Ų51.657%0.56928%0.275SS*.  trans-55138.6172-173.9-103.9000110.8N351 T359 T360N351-H357 PolarHBondContact ND2-O 2.82Å; H357-T359 PolarHBondContact CE1-OG1 3.38Å; H357-T359 VanDerWaalsContact CE1-OG1 3.25Å; H357-T359 PolarHBondContact ND1-N 3.19Å; H357-T359 PolarHBondContact ND1-OG1 2.89Å; H357-T359 PolarHBondContact O-N 3.37Å; H357-T360 VanDerWaalsContact O-CB 3.29Å; H357-T360 WeakPolarHBondContact O-CB 3.35Å; H357-T360 PolarHBondContact O-N 3.18Å; H357-T360 PolarHBondContact O-OG1 3.23Å; H357-T360 VanDerWaalsContact O-OG1 3.12Å
358P97.1Very high97.7Very high61 Ų6152.5 Ų52.540%0.39628%0.281SS..THydrogen-bonded Turntrans-57.4-23-172.4-29.937000115.5R348 N351R348-P358 HydrophobicContact CG-CB 4.43Å; N351-P358 PolarHBondContact ND2-O 3.02Å
359T97Very high97.6Very high70 Ų7049.5 Ų49.543%0.42927%0.272SS..THydrogen-bonded Turntrans-91.5-0.3176.964.30000114.9Q346 H357Q346-T359 PolarHBondContact NE2-O 3.17Å; H357-T359 PolarHBondContact CE1-OG1 3.38Å; H357-T359 VanDerWaalsContact CE1-OG1 3.25Å; H357-T359 PolarHBondContact ND1-N 3.19Å; H357-T359 PolarHBondContact ND1-OG1 2.89Å; H357-T359 PolarHBondContact O-N 3.37Å
360T98Very high97.6Very high31 Ų3149.9 Ų49.919%0.1927%0.274CS..  trans-54.4144.2178.7-69.50000112N351 F356 H357N351-T360 PolarHBondContact ND2-N 3.05Å; N351-T360 PolarHBondContact ND2-O 3.21Å; F356-T360 HydrophobicContact CB-CG2 4.11Å; F356-T360 HydrophobicContact CD2-CG2 3.97Å; F356-T360 HydrophobicContact CG-CG2 4.29Å; H357-T360 VanDerWaalsContact O-CB 3.29Å; H357-T360 WeakPolarHBondContact O-CB 3.35Å; H357-T360 PolarHBondContact O-N 3.18Å; H357-T360 PolarHBondContact O-OG1 3.23Å; H357-T360 VanDerWaalsContact O-OG1 3.12Å
361V98.5Very high97.6Very high20 Ų2052.3 Ų52.312%0.12128%0.284CS..  trans-117.2101.3-177.2-1770000109.1F344 V345 Q346 K363 W410F344-V361 HydrophobicContact CB-CG1 3.87Å; V345-V361 CarbonylContact O-C 3.57Å; V345-V361 WeakPolarHBondContact O-CA 3.14Å; Q346-V361 HydrophobicContact CB-CG2 4.31Å; V361-K363 PolarHBondContact O-N 2.92Å; V361-W410 WeakPolarHBondContact CB-O 3.46Å; V361-W410 HydrophobicContact CG1-CD2 4.04Å; V361-W410 HydrophobicContact CG1-CE3 3.82Å; V361-W410 HydrophobicContact CG1-CH2 3.89Å; V361-W410 HydrophobicContact CG1-CZ2 4.11Å; V361-W410 HydrophobicContact CG1-CZ3 3.72Å; V361-W410 HydrophobicContact CG2-CD2 4.05Å; V361-W410 HydrophobicContact CG2-CG 4.38Å; V361-W410 HydrophobicContact CG2-CZ2 3.93Å; V361-W410 WeakPolarHBondContact CG2-O 3.27Å
362C98.1Very high97.6Very high10 Ų1052.4 Ų52.47%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-75.9120.3179-60.60000110.4F344 V345 L370F344-C362 CarbonylContact C-O 3.15Å; F344-C362 WeakPolarHBondContact CA-O 3.36Å; V345-C362 PolarHBondContact N-O 3.04Å; V345-C362 PolarHBondContact O-N 3.17Å; C362-L370 HydrophobicContact CB-CD2 3.88Å
363K98.4Very high97.7Very high94 Ų9447.5 Ų47.541%0.40927%0.265SS..EExtended strand (participates in β ladder)trans-76.5129.6169.9177.6-175.5179.6-172.90109.5Y196 S342 F344 V361Y196-K363 PolarHBondContact OH-O 3.29Å; S342-K363 WeakPolarHBondContact OG-CE 3.22Å; F344-K363 HydrophobicContact CD1-CB 3.82Å; F344-K363 HydrophobicContact CD1-CG 3.97Å; F344-K363 HydrophobicContact CE1-CB 3.85Å; F344-K363 HydrophobicContact CE1-CD 3.86Å; F344-K363 HydrophobicContact CE1-CG 3.58Å; F344-K363 HydrophobicContact CZ-CD 4.34Å; F344-K363 HydrophobicContact CZ-CG 4.14Å; V361-K363 PolarHBondContact O-N 2.92Å
364I98.5Very high97.7Very high0 Ų043.6 Ų43.60%025%0.248CC..EExtended strand (participates in β ladder)trans-108.2113.1170.3-50.3171.9000107.8A335 C337 S342 I343 V345 C368 L370A335-I364 HydrophobicContact CB-CD1 3.96Å; C337-I364 HydrophobicContact CB-CB 4.49Å; C337-I364 HydrophobicContact CB-CG2 3.91Å; S342-I364 WeakPolarHBondContact CA-O 3.35Å; S342-I364 WeakPolarHBondContact CB-O 3.24Å; I343-I364 HydrophobicContact CD1-CB 4.27Å; I343-I364 HydrophobicContact CD1-CD1 4.04Å; I343-I364 HydrophobicContact CG1-CB 3.73Å; I343-I364 HydrophobicContact CG1-CD1 4.14Å; I343-I364 HydrophobicContact CG1-CG1 4.3Å; I343-I364 HydrophobicContact CG1-CG2 4.48Å; I343-I364 PolarHBondContact N-O 2.71Å; I343-I364 VanDerWaalsContact N-O 3.16Å; I343-I364 PolarHBondContact O-N 2.92Å; V345-I364 HydrophobicContact CG2-CD1 3.68Å; V345-I364 HydrophobicContact CG2-CG1 4.41Å; I364-C368 HydrophobicContact CG2-CB 3.84Å; I364-C368 VanDerWaalsContact CG2-O 3.27Å; I364-C368 WeakPolarHBondContact CG2-O 3.45Å; I364-L370 HydrophobicContact CD1-CB 3.73Å; I364-L370 HydrophobicContact CD1-CD2 4.07Å; I364-L370 HydrophobicContact CD1-CG 4.48Å; I364-L370 HydrophobicContact CG1-CB 4.02Å; I364-L370 HydrophobicContact CG1-CD2 3.98Å
365P98.6Very high97.8Very high39 Ų3941 Ų4125%0.25324%0.236SC..  trans-68.4159.5176.2-19.331.9000113.4C337 G367 C368C337-P365 VanDerWaalsContact CB-O 3.27Å; C337-P365 WeakPolarHBondContact CB-O 3.41Å; P365-G367 PolarHBondContact O-N 3.32Å; P365-C368 VanDerWaalsContact O-CB 3.3Å; P365-C368 WeakPolarHBondContact O-CB 3.26Å; P365-C368 PolarHBondContact O-N 3.32Å
366P98.5Very high97.7Very high59 Ų5938.7 Ų38.738%0.38322%0.22SC..THydrogen-bonded Turntrans-49.2130.7171.4-3037.9000112.9S339 D340 C368S339-P366 VanDerWaalsContact O-CB 3.27Å; S339-P366 WeakPolarHBondContact O-CB 3.29Å; S339-P366 WeakPolarHBondContact O-CG 3.27Å; D340-P366 WeakPolarHBondContact O-CG 3.3Å; P366-C368 PolarHBondContact O-N 2.79Å
367G96.2Very high97.6Very high54 Ų5438.4 Ų38.456%0.55722%0.219SC*.THydrogen-bonded Turntrans75.80.5-177.900000115.6C337 P365C337-G367 PolarHBondContact O-N 2.95Å; P365-G367 PolarHBondContact O-N 3.32Å
368C97.9Very high97.6Very high20 Ų2032.6 Ų32.614%0.13519%0.192CC..  trans-92.4150.3171.9-600000111.6Y196 E336 C337 I364 P365 P366Y196-C368 HydrophobicContact CD1-CB 3.94Å; Y196-C368 HydrophobicContact CE1-CB 4.27Å; Y196-C368 HydrophobicContact CG-CB 4.41Å; E336-C368 WeakPolarHBondContact CA-O 3.44Å; C337-C368 PolarHBondContact N-O 2.92Å; I364-C368 HydrophobicContact CG2-CB 3.84Å; I364-C368 VanDerWaalsContact CG2-O 3.27Å; I364-C368 WeakPolarHBondContact CG2-O 3.45Å; P365-C368 VanDerWaalsContact O-CB 3.3Å; P365-C368 WeakPolarHBondContact O-CB 3.26Å; P365-C368 PolarHBondContact O-N 3.32Å; P366-C368 PolarHBondContact O-N 2.79Å
369S97.3Very high97.6Very high13 Ų1329.7 Ų29.79%0.09117%0.173CC..EExtended strand (participates in β ladder)trans-122.1143.7171.5179.80000110.4Y327 A335Y327-S369 PolarHBondContact OH-OG 2.87Å; A335-S369 WeakPolarHBondContact O-CA 3.31Å
370L97.9Very high97.5Very high12 Ų1231.4 Ų31.46%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-130.9136178.317755.8000109.7V194 Y334 A335 C362 I364 I372V194-L370 HydrophobicContact CG1-CD1 3.6Å; Y334-L370 CarbonylContact C-O 3.59Å; Y334-L370 VanDerWaalsContact CA-O 3.28Å; Y334-L370 WeakPolarHBondContact CA-O 3.19Å; A335-L370 PolarHBondContact N-O 2.86Å; A335-L370 PolarHBondContact O-N 3.31Å; C362-L370 HydrophobicContact CB-CD2 3.88Å; I364-L370 HydrophobicContact CD1-CB 3.73Å; I364-L370 HydrophobicContact CD1-CD2 4.07Å; I364-L370 HydrophobicContact CD1-CG 4.48Å; I364-L370 HydrophobicContact CG1-CB 4.02Å; I364-L370 HydrophobicContact CG1-CD2 3.98Å; L370-I372 HydrophobicContact CB-CG2 4.5Å; L370-I372 HydrophobicContact CD2-CG2 4.48Å; L370-I372 HydrophobicContact CG-CG2 4.23Å; L370-I372 PolarHBondContact O-N 3.24Å
371K98.2Very high97.4Very high54 Ų5430.9 Ų30.924%0.23517%0.172CC..EExtended strand (participates in β ladder)trans-70.5115.5163.9178.6165.264.51800108.8E332 Y334 F373E332-K371 HydrophobicContact CB-CD 3.9Å; E332-K371 HydrophobicContact CG-CD 4.16Å; E332-K371 WeakPolarHBondContact OE1-CD 3.12Å; E332-K371 IonicContact OE1-NZ 2.72Å; E332-K371 PolarHBondContact OE1-NZ 3.43Å; E332-K371 WeakPolarHBondContact OE2-CD 3.26Å; E332-K371 IonicContact OE2-NZ 2.73Å; E332-K371 PolarHBondContact OE2-NZ 3.06Å; Y334-K371 HydrophobicContact CD1-CB 3.93Å; Y334-K371 HydrophobicContact CE1-CB 3.73Å; Y334-K371 HydrophobicContact CE1-CG 4.42Å; K371-F373 WeakPolarHBondContact CG-O 3.21Å
372I98.5Very high97.3Very high2 Ų230 Ų301%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-100.2-16.4-178.562.5167.6000112.9L326 V333 A335 V345 S347 L370 I402L326-I372 HydrophobicContact CD2-CD1 4.16Å; V333-I372 HydrophobicContact CB-CG1 4.1Å; V333-I372 HydrophobicContact CG1-CD1 3.88Å; V333-I372 HydrophobicContact CG1-CG1 3.83Å; V333-I372 WeakPolarHBondContact O-CG1 3.45Å; V333-I372 PolarHBondContact O-N 3.13Å; A335-I372 HydrophobicContact CB-CD1 4.16Å; A335-I372 HydrophobicContact CB-CG2 3.92Å; V345-I372 HydrophobicContact CG1-CG2 3.98Å; S347-I372 VanDerWaalsContact CB-O 3.29Å; S347-I372 WeakPolarHBondContact CB-O 3.1Å; S347-I372 PolarHBondContact OG-O 3.36Å; L370-I372 HydrophobicContact CB-CG2 4.5Å; L370-I372 HydrophobicContact CD2-CG2 4.48Å; L370-I372 HydrophobicContact CG-CG2 4.23Å; L370-I372 PolarHBondContact O-N 3.24Å; I372-I402 HydrophobicContact CB-CD1 4.28Å; I372-I402 HydrophobicContact CD1-CD1 3.98Å; I372-I402 HydrophobicContact CD1-CG2 4.32Å; I372-I402 HydrophobicContact CG1-CD1 4.12Å
373F98.5Very high97.2Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-152.4152.1173.9-159.4-96.9000113E332 V333 N349 K371 N375 F378 M399 I402 L430 P433E332-F373 CarbonylContact C-O 3.46Å; E332-F373 WeakPolarHBondContact CA-O 3.39Å; V333-F373 HydrophobicContact CB-CB 3.89Å; V333-F373 HydrophobicContact CG2-CB 4.03Å; V333-F373 PolarHBondContact N-O 3.4Å; V333-F373 PolarHBondContact O-N 3.39Å; V333-F373 VanDerWaalsContact O-N 3.1Å; N349-F373 HydrophobicContact CB-CD2 3.46Å; N349-F373 VanDerWaalsContact CB-CD2 3.46Å; N349-F373 HydrophobicContact CB-CE2 3.68Å; N349-F373 HydrophobicContact CB-CG 4.34Å; N349-F373 VanDerWaalsContact OD1-CA 3.26Å; N349-F373 WeakPolarHBondContact OD1-CA 3.35Å; K371-F373 WeakPolarHBondContact CG-O 3.21Å; F373-N375 VanDerWaalsContact CE1-OD1 3.28Å; F373-N375 WeakPolarHBondContact CE1-OD1 3.17Å; F373-F378 HydrophobicContact CE1-CB 3.91Å; F373-F378 HydrophobicContact CE1-CG 4.36Å; F373-F378 HydrophobicContact CZ-CB 3.61Å; F373-F378 HydrophobicContact CZ-CD1 4.48Å; F373-F378 AromaticContact CZ-CD2 3.91Å; F373-F378 HydrophobicContact CZ-CD2 3.91Å; F373-F378 AromaticContact CZ-CG 3.75Å; F373-F378 HydrophobicContact CZ-CG 3.75Å; F373-M399 WeakPolarHBondContact CE2-O 3.19Å; F373-I402 HydrophobicContact CB-CD1 4.15Å; F373-I402 HydrophobicContact CD2-CD1 4.29Å; F373-L430 HydrophobicContact CB-CD1 3.73Å; F373-L430 HydrophobicContact CD1-CD1 3.64Å; F373-L430 HydrophobicContact CD2-CD1 3.41Å; F373-L430 VanDerWaalsContact CD2-CD1 3.41Å; F373-L430 HydrophobicContact CE1-CD1 4.04Å; F373-L430 HydrophobicContact CE2-CD1 3.83Å; F373-L430 HydrophobicContact CG-CD1 3.3Å; F373-L430 HydrophobicContact CZ-CD1 4.12Å; F373-P433 HydrophobicContact CD1-CG 4.46Å; F373-P433 HydrophobicContact CE1-CB 4.28Å; F373-P433 HydrophobicContact CE1-CG 3.51Å; F373-P433 HydrophobicContact CZ-CB 3.98Å; F373-P433 HydrophobicContact CZ-CG 3.71Å
374S97.6Very high97Very high7 Ų734.1 Ų34.15%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-136.4119.7167.5-174.80000111.2E332 N349 Q376 E377 F378E332-S374 WeakPolarHBondContact OE1-CB 3.48Å; E332-S374 PolarHBondContact OE1-OG 3.42Å; N349-S374 PolarHBondContact OD1-N 2.87Å; S374-Q376 PolarHBondContact O-N 3.27Å; S374-E377 PolarHBondContact O-N 3.12Å; S374-F378 PolarHBondContact O-N 3.22Å
375N96.7Very high96.9Very high4 Ų434.9 Ų34.92%0.02119%0.189CC..Hα-helixtrans-61.7-31.7176.1-74-4.2000112.1L140 Y255 Y328 G331 F373 F378 A379L140-N375 HydrophobicContact CD1-CB 3.85Å; L140-N375 HydrophobicContact CD2-CB 4.35Å; Y255-N375 PolarHBondContact OH-ND2 3.12Å; Y328-N375 PolarHBondContact OH-ND2 3.07Å; G331-N375 VanDerWaalsContact O-CB 3.28Å; G331-N375 WeakPolarHBondContact O-CB 3.26Å; G331-N375 PolarHBondContact O-N 3.39Å; F373-N375 VanDerWaalsContact CE1-OD1 3.28Å; F373-N375 WeakPolarHBondContact CE1-OD1 3.17Å; N375-F378 PolarHBondContact O-N 2.86Å; N375-A379 WeakPolarHBondContact O-CB 3.3Å; N375-A379 PolarHBondContact O-N 3.11Å
376Q95.7Very high96.6Very high102 Ų10233.3 Ų33.348%0.47718%0.178SC..Hα-helixtrans-67.4-39.8177.7-171178.424.100111.2L140 S374 A379 H380L140-Q376 HydrophobicContact CD2-CB 4.25Å; S374-Q376 PolarHBondContact O-N 3.27Å; Q376-A379 WeakPolarHBondContact O-CB 3.2Å; Q376-A379 PolarHBondContact O-N 3.32Å; Q376-H380 PolarHBondContact O-N 2.73Å; Q376-H380 PolarHBondContact O-ND1 2.74Å
377E95.9Very high96.2Very high31 Ų3136.4 Ų36.415%0.14519%0.187CC..Hα-helixtrans-69.9-41.7176.3-169.5175.296.400111.8N349 Y352 H353 S374 A379 H380 L381N349-E377 PolarHBondContact ND2-OE1 2.89Å; Y352-E377 HydrophobicContact CD1-CG 4.12Å; Y352-E377 HydrophobicContact CE1-CG 4.28Å; H353-E377 WeakPolarHBondContact CB-OE2 3.17Å; H353-E377 IonicContact CE1-OE2 3.75Å; H353-E377 IonicContact CG-OE2 3.3Å; H353-E377 IonicContact ND1-OE2 2.83Å; H353-E377 PolarHBondContact ND1-OE2 2.85Å; S374-E377 PolarHBondContact O-N 3.12Å; E377-A379 VanDerWaalsContact C-N 3.32Å; E377-A379 PolarHBondContact O-N 3.4Å; E377-H380 PolarHBondContact O-N 2.7Å; E377-L381 PolarHBondContact O-N 2.81Å
378F97.5Very high96Very high1 Ų140.4 Ų40.40%0.00419%0.191CC..Hα-helixtrans-59.9-40.4173.1-177.4-103.3000112.3F373 S374 N375 H380 L381 L382 L396 M399 C400 P433 W436 L437F373-F378 HydrophobicContact CE1-CB 3.91Å; F373-F378 HydrophobicContact CE1-CG 4.36Å; F373-F378 HydrophobicContact CZ-CB 3.61Å; F373-F378 HydrophobicContact CZ-CD1 4.48Å; F373-F378 AromaticContact CZ-CD2 3.91Å; F373-F378 HydrophobicContact CZ-CD2 3.91Å; F373-F378 AromaticContact CZ-CG 3.75Å; F373-F378 HydrophobicContact CZ-CG 3.75Å; S374-F378 PolarHBondContact O-N 3.22Å; N375-F378 PolarHBondContact O-N 2.86Å; F378-H380 PolarHBondContact O-N 2.93Å; F378-L381 PolarHBondContact O-N 2.79Å; F378-L382 HydrophobicContact CE1-CD2 3.86Å; F378-L382 HydrophobicContact CZ-CD2 4.26Å; F378-L382 VanDerWaalsContact O-CB 3.23Å; F378-L382 WeakPolarHBondContact O-CB 3.38Å; F378-L382 PolarHBondContact O-N 2.99Å; F378-L396 HydrophobicContact CE2-CB 4.34Å; F378-M399 HydrophobicContact CD2-CB 4.12Å; F378-M399 HydrophobicContact CE2-CB 4.02Å; F378-C400 VanDerWaalsContact CE2-SG 3.57Å; F378-C400 VanDerWaalsContact CZ-SG 3.54Å; F378-P433 HydrophobicContact CD1-CB 3.97Å; F378-P433 HydrophobicContact CE1-CB 3.75Å; F378-P433 HydrophobicContact CG-CB 4.48Å; F378-P433 HydrophobicContact CZ-CB 4.09Å; F378-W436 HydrophobicContact CD1-CE3 4.21Å; F378-W436 HydrophobicContact CE1-CE3 4.35Å; F378-L437 HydrophobicContact CZ-CB 4.4Å
379A96.2Very high95.7Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-57.5-47175.400000112.5L140 N375 Q376 E377 S383 W436L140-A379 HydrophobicContact CD2-CB 4.37Å; N375-A379 WeakPolarHBondContact O-CB 3.3Å; N375-A379 PolarHBondContact O-N 3.11Å; Q376-A379 WeakPolarHBondContact O-CB 3.2Å; Q376-A379 PolarHBondContact O-N 3.32Å; E377-A379 VanDerWaalsContact C-N 3.32Å; E377-A379 PolarHBondContact O-N 3.4Å; A379-S383 VanDerWaalsContact O-CB 3.29Å; A379-S383 WeakPolarHBondContact O-CB 3.4Å; A379-S383 PolarHBondContact O-N 2.93Å; A379-S383 PolarHBondContact O-OG 3.35Å; A379-W436 HydrophobicContact CB-CH2 3.45Å; A379-W436 VanDerWaalsContact CB-CH2 3.45Å; A379-W436 HydrophobicContact CB-CZ3 3.55Å
380H95.9Very high95.4Very high106 Ų10642 Ų4249%0.49120%0.201SC..Hα-helixtrans-66.5-41.4178.5-71.498.5000112Q376 E377 F378 R384Q376-H380 PolarHBondContact O-N 2.73Å; Q376-H380 PolarHBondContact O-ND1 2.74Å; E377-H380 PolarHBondContact O-N 2.7Å; F378-H380 PolarHBondContact O-N 2.93Å; H380-R384 VanDerWaalsContact O-CG 3.31Å; H380-R384 WeakPolarHBondContact O-CG 3.41Å; H380-R384 PolarHBondContact O-N 3.3Å; H380-R384 VanDerWaalsContact O-N 3.15Å
381L95.9Very high95.2Very high21 Ų2146.3 Ų46.311%0.1122%0.221CC..Hα-helixtrans-65.2-49.6177.3-176.961.9000111.2Y352 E377 F378 S383 R384 T385 L396 M399Y352-L381 HydrophobicContact CE2-CD1 4.44Å; E377-L381 PolarHBondContact O-N 2.81Å; F378-L381 PolarHBondContact O-N 2.79Å; L381-S383 PolarHBondContact O-N 3.16Å; L381-R384 PolarHBondContact O-N 3.09Å; L381-T385 WeakPolarHBondContact O-CB 3.26Å; L381-T385 PolarHBondContact O-N 3.13Å; L381-T385 PolarHBondContact O-OG1 3.29Å; L381-L396 HydrophobicContact CD2-CD2 3.7Å; L381-L396 HydrophobicContact CG-CD2 3.9Å; L381-M399 HydrophobicContact CD2-CE 3.62Å; L381-M399 HydrophobicContact CD2-CG 4.18Å; L381-M399 HydrophobicContact CD2-SD 4.1Å
382L96.6Very high95Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-56.4-50.7177.6178.753.2000111.1V143 F378 R384 T385 V386 V393 L396 W436 L437 V440V143-L382 HydrophobicContact CG1-CG 4.39Å; V143-L382 HydrophobicContact CG2-CB 4.41Å; V143-L382 HydrophobicContact CG2-CD2 3.88Å; V143-L382 HydrophobicContact CG2-CG 3.81Å; F378-L382 HydrophobicContact CE1-CD2 3.86Å; F378-L382 HydrophobicContact CZ-CD2 4.26Å; F378-L382 VanDerWaalsContact O-CB 3.23Å; F378-L382 WeakPolarHBondContact O-CB 3.38Å; F378-L382 PolarHBondContact O-N 2.99Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 2.86Å; L382-T385 PolarHBondContact O-N 2.83Å; L382-T385 VanDerWaalsContact O-N 3.09Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.13Å; L382-V386 VanDerWaalsContact O-N 3.1Å; L382-V393 HydrophobicContact CD1-CG1 3.93Å; L382-L396 HydrophobicContact CB-CD1 4.21Å; L382-L396 HydrophobicContact CD1-CD1 3.84Å; L382-W436 HydrophobicContact CD2-CD2 4.08Å; L382-W436 HydrophobicContact CD2-CE3 4.39Å; L382-W436 HydrophobicContact CD2-CG 4.14Å; L382-L437 HydrophobicContact CD1-CD1 3.57Å; L382-V440 HydrophobicContact CD1-CB 4.48Å; L382-V440 HydrophobicContact CD1-CG1 4.2Å; L382-V440 HydrophobicContact CD1-CG2 4.46Å; L382-V440 HydrophobicContact CD2-CG2 4.2Å; L382-V440 HydrophobicContact CG-CG2 4.49Å
383S95.5Very high94.8Very high35 Ų3545.3 Ų45.325%0.24522%0.222CC..Hα-helixtrans-56.5-41.8178.9-58.10000112.9A379 L381A379-S383 VanDerWaalsContact O-CB 3.29Å; A379-S383 WeakPolarHBondContact O-CB 3.4Å; A379-S383 PolarHBondContact O-N 2.93Å; A379-S383 PolarHBondContact O-OG 3.35Å; L381-S383 PolarHBondContact O-N 3.16Å
384R94.7Very high94.6Very high157 Ų15751.6 Ų51.659%0.59225%0.247SC*.Hα-helixtrans-67.8-43.1175.5-71.8172.464.4-173.4-1.3111.9H380 L381 L382 V386 H387H380-R384 VanDerWaalsContact O-CG 3.31Å; H380-R384 WeakPolarHBondContact O-CG 3.41Å; H380-R384 PolarHBondContact O-N 3.3Å; H380-R384 VanDerWaalsContact O-N 3.15Å; L381-R384 PolarHBondContact O-N 3.09Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 2.86Å; R384-V386 PolarHBondContact O-N 2.71Å; R384-H387 PolarHBondContact O-N 2.83Å
385T95.2Very high94.5Very high16 Ų1655.2 Ų55.210%0.09826%0.263CS..Hα-helixtrans-73-22.1-172.4-61.10000113.8L381 L382 H387 H388 A392 V393 L396L381-T385 WeakPolarHBondContact O-CB 3.26Å; L381-T385 PolarHBondContact O-N 3.13Å; L381-T385 PolarHBondContact O-OG1 3.29Å; L382-T385 PolarHBondContact O-N 2.83Å; L382-T385 VanDerWaalsContact O-N 3.09Å; T385-H387 PolarHBondContact O-N 3Å; T385-H388 WeakPolarHBondContact O-CB 3.47Å; T385-H388 PolarHBondContact O-N 2.6Å; T385-A392 HydrophobicContact CG2-CB 3.75Å; T385-A392 VanDerWaalsContact CG2-O 3.26Å; T385-A392 WeakPolarHBondContact CG2-O 3.49Å; T385-V393 HydrophobicContact CG2-CG2 3.91Å; T385-V393 WeakPolarHBondContact O-CG2 3.38Å; T385-L396 HydrophobicContact CG2-CD1 3.96Å; T385-L396 HydrophobicContact CG2-CG 4.2Å
386V92.8Very high94.5Very high5 Ų555.7 Ų55.73%0.0327%0.265CS..G310 helixtrans-51.9-39.6172179.50000111.9V143 V145 L382 R384 H388 G389 V393 V440 M444V143-V386 HydrophobicContact CG1-CG2 3.5Å; V145-V386 HydrophobicContact CG1-CG1 4.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.13Å; L382-V386 VanDerWaalsContact O-N 3.1Å; R384-V386 PolarHBondContact O-N 2.71Å; V386-H388 PolarHBondContact O-N 2.81Å; V386-G389 PolarHBondContact O-N 2.81Å; V386-G389 VanDerWaalsContact O-N 3.14Å; V386-V393 HydrophobicContact CG2-CG2 4.38Å; V386-V440 HydrophobicContact CG2-CG1 3.72Å; V386-M444 HydrophobicContact CG1-CE 4.03Å; V386-M444 HydrophobicContact CG1-SD 4.22Å; V386-M444 VanDerWaalsContact O-CE 3.28Å; V386-M444 WeakPolarHBondContact O-CE 3.09Å
387H90.7Very high94.6Very high124 Ų12453 Ų5357%0.57426%0.257SS*.G310 helixtrans-70.7-10.4179.2-56.1-64.7000114.2R384 T385R384-H387 PolarHBondContact O-N 2.83Å; T385-H387 PolarHBondContact O-N 3Å
388H91.7Very high94.7Very high139 Ų13955.9 Ų55.964%0.64427%0.268SS*.G310 helixtrans-93.9-3.1173.9-59.5-41.3000113.3T385 V386 A392T385-H388 WeakPolarHBondContact O-CB 3.47Å; T385-H388 PolarHBondContact O-N 2.6Å; V386-H388 PolarHBondContact O-N 2.81Å; H388-A392 HydrophobicContact CB-CB 3.67Å
389G90.7Very high94.7Very high23 Ų2356.6 Ų56.624%0.23727%0.272CS..  trans89.9175.3172.600000115.2V386 E391 A392 V393 M444V386-G389 PolarHBondContact O-N 2.81Å; V386-G389 VanDerWaalsContact O-N 3.14Å; G389-E391 PolarHBondContact O-N 2.87Å; G389-A392 PolarHBondContact O-N 3.47Å; G389-V393 PolarHBondContact O-N 2.99Å; G389-V393 VanDerWaalsContact O-N 3.17Å; G389-M444 VanDerWaalsContact C-CE 3.45Å
390F91.7Very high94.8Very high43 Ų4356.6 Ų56.619%0.18927%0.272CS..Hα-helixtrans-52.8-50.1-167.3-174-79.7000113.7A392 V393 Y394 L441 M444 G445 P447F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.33Å; F390-V393 PolarHBondContact O-N 3.36Å; F390-Y394 HydrophobicContact CE1-CD2 4.15Å; F390-Y394 HydrophobicContact CE1-CG 4.35Å; F390-Y394 HydrophobicContact CZ-CD2 4.5Å; F390-Y394 WeakPolarHBondContact O-CB 3.27Å; F390-Y394 PolarHBondContact O-N 3.44Å; F390-L441 HydrophobicContact CD1-CD2 4.47Å; F390-L441 HydrophobicContact CD2-CD2 3.93Å; F390-L441 HydrophobicContact CE1-CD2 4.32Å; F390-L441 HydrophobicContact CE2-CB 4.23Å; F390-L441 HydrophobicContact CE2-CD2 3.78Å; F390-L441 HydrophobicContact CG-CD2 4.28Å; F390-L441 HydrophobicContact CZ-CD2 3.98Å; F390-M444 HydrophobicContact CD2-CB 4.2Å; F390-G445 WeakPolarHBondContact CD2-O 3.19Å; F390-G445 WeakPolarHBondContact CE2-O 3.43Å; F390-P447 HydrophobicContact CD1-CB 4.47Å; F390-P447 HydrophobicContact CD1-CG 3.71Å; F390-P447 HydrophobicContact CE1-CG 3.72Å; F390-P447 HydrophobicContact CG-CG 4.47Å; F390-P447 HydrophobicContact CZ-CG 4.46Å
391E92.4Very high94.9Very high103 Ų10352.8 Ų52.848%0.48126%0.256SS..Hα-helixtrans-61.6-38.6-175.9-65.1172.5-170.100111.9G389 Y394 E395 N449G389-E391 PolarHBondContact O-N 2.87Å; E391-Y394 PolarHBondContact O-N 3.07Å; E391-E395 PolarHBondContact O-N 3.16Å; E391-E395 VanDerWaalsContact O-N 3.13Å; E391-N449 PolarHBondContact OE1-ND2 2.92Å
392A94Very high95Very high34 Ų3451.9 Ų51.928%0.28125%0.251SS..Hα-helixtrans-69.9-37.9177.700000112.4T385 H388 G389 F390T385-A392 HydrophobicContact CG2-CB 3.75Å; T385-A392 VanDerWaalsContact CG2-O 3.26Å; T385-A392 WeakPolarHBondContact CG2-O 3.49Å; H388-A392 HydrophobicContact CB-CB 3.67Å; G389-A392 PolarHBondContact O-N 3.47Å; F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.33Å
393V94.8Very high95.1Very high0 Ų056.1 Ų56.10%027%0.267CS..Hα-helixtrans-69.5-41.6174176.70000110.6L382 T385 V386 G389 F390 E395 L396 L437 V440 L441 M444L382-V393 HydrophobicContact CD1-CG1 3.93Å; T385-V393 HydrophobicContact CG2-CG2 3.91Å; T385-V393 WeakPolarHBondContact O-CG2 3.38Å; V386-V393 HydrophobicContact CG2-CG2 4.38Å; G389-V393 PolarHBondContact O-N 2.99Å; G389-V393 VanDerWaalsContact O-N 3.17Å; F390-V393 PolarHBondContact O-N 3.36Å; V393-E395 VanDerWaalsContact C-N 3.28Å; V393-E395 PolarHBondContact O-N 2.83Å; V393-L396 WeakPolarHBondContact O-CB 3.25Å; V393-L396 PolarHBondContact O-N 3.34Å; V393-L437 HydrophobicContact CG1-CD1 3.48Å; V393-L437 VanDerWaalsContact CG1-CD1 3.48Å; V393-V440 HydrophobicContact CG1-CG1 4.06Å; V393-L441 HydrophobicContact CB-CD2 3.93Å; V393-L441 HydrophobicContact CG1-CD2 3.63Å; V393-L441 HydrophobicContact CG1-CG 3.92Å; V393-M444 HydrophobicContact CB-SD 4.02Å; V393-M444 HydrophobicContact CG1-SD 4.18Å; V393-M444 HydrophobicContact CG2-CE 3.85Å; V393-M444 HydrophobicContact CG2-SD 3.68Å
394Y94.9Very high95.3Very high133 Ų13354.5 Ų54.552%0.52226%0.256SS..Hα-helixtrans-59.8-37.3178.6-173.7-95.8000112.3F390 E391 L396 T397 L441F390-Y394 HydrophobicContact CE1-CD2 4.15Å; F390-Y394 HydrophobicContact CE1-CG 4.35Å; F390-Y394 HydrophobicContact CZ-CD2 4.5Å; F390-Y394 WeakPolarHBondContact O-CB 3.27Å; F390-Y394 PolarHBondContact O-N 3.44Å; E391-Y394 PolarHBondContact O-N 3.07Å; Y394-L396 PolarHBondContact O-N 3.18Å; Y394-T397 VanDerWaalsContact O-CB 3.25Å; Y394-T397 WeakPolarHBondContact O-CB 3.29Å; Y394-T397 PolarHBondContact O-N 3.16Å; Y394-T397 PolarHBondContact O-OG1 3.17Å; Y394-L441 HydrophobicContact CD2-CD1 4.1Å
395E95.5Very high95.5Very high83 Ų8347 Ų4739%0.38823%0.228SC..Hα-helixtrans-59-25.3172-81.8-64.9115.700114E391 V393 T397 K398E391-E395 PolarHBondContact O-N 3.16Å; E391-E395 VanDerWaalsContact O-N 3.13Å; V393-E395 VanDerWaalsContact C-N 3.28Å; V393-E395 PolarHBondContact O-N 2.83Å; E395-T397 PolarHBondContact O-N 3.08Å; E395-T397 VanDerWaalsContact O-N 3.16Å; E395-K398 WeakPolarHBondContact O-CB 3.4Å; E395-K398 PolarHBondContact O-N 2.9Å; E395-K398 VanDerWaalsContact OE1-CE 3.25Å; E395-K398 WeakPolarHBondContact OE1-CE 3.42Å; E395-K398 IonicContact OE1-NZ 3.17Å; E395-K398 PolarHBondContact OE1-NZ 2.75Å; E395-K398 WeakPolarHBondContact OE2-CD 3.42Å; E395-K398 WeakPolarHBondContact OE2-CE 3.44Å; E395-K398 IonicContact OE2-NZ 2.9Å; E395-K398 PolarHBondContact OE2-NZ 2.88Å
396L96.9Very high95.6Very high13 Ų1346.3 Ų46.37%0.06822%0.223CC..G310 helixtrans-67-11.3175.1-58.3-178.2000113.4F378 L381 L382 T385 V393 Y394 K398 M399 C400 L437F378-L396 HydrophobicContact CE2-CB 4.34Å; L381-L396 HydrophobicContact CD2-CD2 3.7Å; L381-L396 HydrophobicContact CG-CD2 3.9Å; L382-L396 HydrophobicContact CB-CD1 4.21Å; L382-L396 HydrophobicContact CD1-CD1 3.84Å; T385-L396 HydrophobicContact CG2-CD1 3.96Å; T385-L396 HydrophobicContact CG2-CG 4.2Å; V393-L396 WeakPolarHBondContact O-CB 3.25Å; V393-L396 PolarHBondContact O-N 3.34Å; Y394-L396 PolarHBondContact O-N 3.18Å; L396-K398 PolarHBondContact O-N 3.03Å; L396-M399 HydrophobicContact CB-CG 4.3Å; L396-M399 HydrophobicContact CD2-CG 3.88Å; L396-M399 VanDerWaalsContact O-CB 3.24Å; L396-M399 WeakPolarHBondContact O-CB 3.39Å; L396-M399 PolarHBondContact O-N 2.83Å; L396-C400 PolarHBondContact O-SG 2.88Å; L396-L437 HydrophobicContact CB-CD1 3.96Å; L396-L437 HydrophobicContact CB-CD2 4.25Å; L396-L437 HydrophobicContact CD1-CD1 4.44Å
397T97.3Very high95.9Very high47 Ų4747.2 Ų47.229%0.28823%0.229SC..G310 helixtrans-53.6-37.1167.7-52.20000110.2Y394 E395 M399 C400 L434 L437Y394-T397 VanDerWaalsContact O-CB 3.25Å; Y394-T397 WeakPolarHBondContact O-CB 3.29Å; Y394-T397 PolarHBondContact O-N 3.16Å; Y394-T397 PolarHBondContact O-OG1 3.17Å; E395-T397 PolarHBondContact O-N 3.08Å; E395-T397 VanDerWaalsContact O-N 3.16Å; T397-M399 PolarHBondContact O-N 2.68Å; T397-C400 WeakPolarHBondContact O-CB 3.48Å; T397-C400 PolarHBondContact O-N 3.31Å; T397-L434 HydrophobicContact CG2-CD2 4.02Å; T397-L437 VanDerWaalsContact N-CD2 3.28Å; T397-L437 WeakPolarHBondContact OG1-CD2 3.26Å
398K97.3Very high96.3Very high90 Ų9045 Ų4539%0.39122%0.218SC..G310 helixtrans-71.5-11.1178-56.4175.1-170.9166.90113.7R348 E395 L396R348-K398 VanDerWaalsContact CD-O 3.29Å; R348-K398 WeakPolarHBondContact CD-O 3.47Å; R348-K398 WeakPolarHBondContact CG-O 3.47Å; E395-K398 WeakPolarHBondContact O-CB 3.4Å; E395-K398 PolarHBondContact O-N 2.9Å; E395-K398 VanDerWaalsContact OE1-CE 3.25Å; E395-K398 WeakPolarHBondContact OE1-CE 3.42Å; E395-K398 IonicContact OE1-NZ 3.17Å; E395-K398 PolarHBondContact OE1-NZ 2.75Å; E395-K398 WeakPolarHBondContact OE2-CD 3.42Å; E395-K398 WeakPolarHBondContact OE2-CE 3.44Å; E395-K398 IonicContact OE2-NZ 2.9Å; E395-K398 PolarHBondContact OE2-NZ 2.88Å; L396-K398 PolarHBondContact O-N 3.03Å
399M97.2Very high96.6Very high16 Ų1638.6 Ų38.68%0.07919%0.189CC..G310 helixtrans-77.7-31.9168.3-57.2-66.1-6600111.5R348 N349 F373 F378 L381 L396 T397 T401R348-M399 HydrophobicContact CB-CE 4.07Å; R348-M399 HydrophobicContact CB-SD 3.4Å; R348-M399 WeakPolarHBondContact CB-SD 3.16Å; R348-M399 HydrophobicContact CG-SD 4.45Å; N349-M399 HydrophobicContact CB-CE 3.97Å; F373-M399 WeakPolarHBondContact CE2-O 3.19Å; F378-M399 HydrophobicContact CD2-CB 4.12Å; F378-M399 HydrophobicContact CE2-CB 4.02Å; L381-M399 HydrophobicContact CD2-CE 3.62Å; L381-M399 HydrophobicContact CD2-CG 4.18Å; L381-M399 HydrophobicContact CD2-SD 4.1Å; L396-M399 HydrophobicContact CB-CG 4.3Å; L396-M399 HydrophobicContact CD2-CG 3.88Å; L396-M399 VanDerWaalsContact O-CB 3.24Å; L396-M399 WeakPolarHBondContact O-CB 3.39Å; L396-M399 PolarHBondContact O-N 2.83Å; T397-M399 PolarHBondContact O-N 2.68Å; M399-T401 VanDerWaalsContact C-N 3.31Å; M399-T401 PolarHBondContact O-N 3.03Å
400C98.2Very high96.9Very high0 Ų037.8 Ų37.80%018%0.179CC..SBendtrans-84.5-5.3-173.4-49.70000113.4F378 L396 T397 L430 P433 L434F378-C400 VanDerWaalsContact CE2-SG 3.57Å; F378-C400 VanDerWaalsContact CZ-SG 3.54Å; L396-C400 PolarHBondContact O-SG 2.88Å; T397-C400 WeakPolarHBondContact O-CB 3.48Å; T397-C400 PolarHBondContact O-N 3.31Å; C400-L430 PolarHBondContact O-N 2.79Å; C400-P433 HydrophobicContact CB-CB 4.2Å; C400-L434 HydrophobicContact CB-CD2 3.58Å; C400-L434 HydrophobicContact CB-CG 3.66Å
401T98.4Very high97.2Very high27 Ų2736.3 Ų36.317%0.16618%0.176CC..EExtended strand (participates in β ladder)trans-108.7123.6175.3-56.50000109.9M399 E427 I428 H429M399-T401 VanDerWaalsContact C-N 3.31Å; M399-T401 PolarHBondContact O-N 3.03Å; T401-E427 HydrophobicContact CG2-CG 3.41Å; T401-E427 VanDerWaalsContact CG2-CG 3.41Å; T401-I428 CarbonylContact C-O 3.49Å; T401-I428 WeakPolarHBondContact CA-O 3.38Å; T401-H429 PolarHBondContact OG1-CD2 2.98Å; T401-H429 VanDerWaalsContact OG1-CD2 3.3Å; T401-H429 PolarHBondContact OG1-NE2 3.35Å
402I98.8Very high97.3Very high1 Ų135.3 Ų35.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-115135.4177.2-61.7174000108.8V345 I372 F373 I428 L430V345-I402 HydrophobicContact CG1-CG2 3.68Å; I372-I402 HydrophobicContact CB-CD1 4.28Å; I372-I402 HydrophobicContact CD1-CD1 3.98Å; I372-I402 HydrophobicContact CD1-CG2 4.32Å; I372-I402 HydrophobicContact CG1-CD1 4.12Å; F373-I402 HydrophobicContact CB-CD1 4.15Å; F373-I402 HydrophobicContact CD2-CD1 4.29Å; I402-I428 HydrophobicContact CB-CB 4.35Å; I402-I428 HydrophobicContact CG2-CD1 4.41Å; I402-I428 PolarHBondContact N-O 2.79Å; I402-I428 PolarHBondContact O-N 3.36Å; I402-L430 HydrophobicContact CD1-CD1 3.95Å
403R98.8Very high97.2Very high89 Ų8939.9 Ų39.934%0.33620%0.201SC..EExtended strand (participates in β ladder)trans-113.5139179-65.7-178.2173.4147.90.3110.9V345 Q346 W410 V419 W425 E427V345-R403 CarbonylContact C-O 3.58Å; V345-R403 WeakPolarHBondContact CA-O 3.35Å; Q346-R403 HydrophobicContact CB-CB 4.47Å; Q346-R403 PolarHBondContact N-O 3.38Å; Q346-R403 PolarHBondContact O-N 3.27Å; R403-W410 HydrophobicContact CB-CH2 4.42Å; R403-W410 HydrophobicContact CB-CZ2 4.26Å; R403-V419 HydrophobicContact CB-CG2 4.49Å; R403-W425 HydrophobicContact CG-CZ3 4.14Å; R403-E427 HydrophobicContact CG-CG 4.21Å; R403-E427 IonicContact CZ-OE2 3.54Å; R403-E427 IonicContact NE-OE2 3.31Å; R403-E427 PolarHBondContact NE-OE2 3.49Å; R403-E427 IonicContact NH2-OE2 2.68Å; R403-E427 PolarHBondContact NH2-OE2 2.95Å
404M98.8Very high97.3Very high1 Ų143.3 Ų43.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-142.6121.8-175.9176169.45600112.3I286 V324 L326 I343 F344 V345 W425 V426 I428I286-M404 HydrophobicContact CD1-CE 4.06Å; V324-M404 HydrophobicContact CB-CE 4.4Å; V324-M404 HydrophobicContact CB-SD 4.34Å; V324-M404 HydrophobicContact CG1-CE 3.53Å; V324-M404 HydrophobicContact CG1-SD 4.05Å; V324-M404 HydrophobicContact CG2-CE 4.21Å; V324-M404 HydrophobicContact CG2-SD 3.95Å; L326-M404 HydrophobicContact CD1-CE 4.48Å; L326-M404 HydrophobicContact CD2-CE 4.23Å; I343-M404 HydrophobicContact CB-CG 4.4Å; I343-M404 HydrophobicContact CB-SD 4.46Å; I343-M404 HydrophobicContact CD1-SD 3.9Å; F344-M404 CarbonylContact O-C 3.56Å; F344-M404 WeakPolarHBondContact O-CA 3.39Å; V345-M404 HydrophobicContact CG2-CB 4.19Å; V345-M404 HydrophobicContact CG2-CG 3.87Å; V345-M404 HydrophobicContact CG2-SD 3.9Å; M404-W425 CarbonylContact O-C 3.54Å; M404-W425 WeakPolarHBondContact O-CA 3.42Å; M404-W425 VanDerWaalsContact O-CB 3.26Å; M404-W425 WeakPolarHBondContact O-CB 3.24Å; M404-V426 HydrophobicContact CB-CG2 3.97Å; M404-V426 HydrophobicContact CE-CG2 3.59Å; M404-V426 PolarHBondContact N-O 3.25Å; M404-V426 PolarHBondContact O-N 3.28Å; M404-I428 HydrophobicContact CE-CD1 4.02Å
405S98.8Very high97.4Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-100.9145.2175.3178.40000111.4I343 F344 K408 T422 C424I343-S405 WeakPolarHBondContact CA-O 3.44Å; F344-S405 PolarHBondContact N-O 3.1Å; F344-S405 PolarHBondContact O-N 3.49Å; S405-K408 WeakPolarHBondContact CB-O 3.36Å; S405-K408 PolarHBondContact OG-O 2.88Å; S405-T422 VanDerWaalsContact OG-CB 3.26Å; S405-T422 WeakPolarHBondContact OG-CB 3.28Å; S405-T422 PolarHBondContact OG-OG1 3.25Å; S405-C424 PolarHBondContact OG-O 3.49Å
406F98.8Very high97.5Very high1 Ų145.3 Ų45.30%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-96.4135.9174-60.2-88.4000110.8I286 L301 I320 V324 I343 K408 C424 V426I286-F406 HydrophobicContact CB-CZ 4.4Å; I286-F406 HydrophobicContact CG2-CZ 3.96Å; L301-F406 HydrophobicContact CD1-CD2 4.45Å; L301-F406 HydrophobicContact CD1-CE2 3.72Å; L301-F406 HydrophobicContact CD1-CZ 3.99Å; I320-F406 HydrophobicContact CD1-CB 4.41Å; I320-F406 HydrophobicContact CD1-CD2 4.32Å; I320-F406 HydrophobicContact CD1-CG 4.27Å; I320-F406 HydrophobicContact CG1-CB 3.92Å; I320-F406 HydrophobicContact CG1-CD1 4.35Å; I320-F406 HydrophobicContact CG1-CG 4.07Å; I320-F406 HydrophobicContact CG2-CD1 3.89Å; I320-F406 HydrophobicContact CG2-CE1 4.05Å; I320-F406 HydrophobicContact CG2-CG 4.39Å; V324-F406 HydrophobicContact CB-CE1 4.4Å; V324-F406 HydrophobicContact CG1-CE1 3.74Å; V324-F406 HydrophobicContact CG1-CZ 3.95Å; I343-F406 HydrophobicContact CG2-CD1 3.76Å; I343-F406 HydrophobicContact CG2-CE1 4.22Å; F406-K408 PolarHBondContact O-N 3.2Å; F406-C424 HydrophobicContact CB-CB 4.48Å; F406-C424 HydrophobicContact CD2-CB 4.42Å; F406-C424 PolarHBondContact N-O 2.95Å; F406-V426 HydrophobicContact CE2-CG1 4.18Å; F406-V426 HydrophobicContact CE2-CG2 4.35Å
407V98.6Very high97.6Very high25 Ų2550.1 Ų50.115%0.15225%0.247CC..SBendtrans66.5-29.5171.7-161.70000115.5T316 H319 S342T316-V407 HydrophobicContact CG2-CB 4.07Å; T316-V407 HydrophobicContact CG2-CG2 4.03Å; H319-V407 HydrophobicContact CB-CG1 4.12Å; H319-V407 HydrophobicContact CB-CG2 3.72Å; S342-V407 WeakPolarHBondContact O-CA 3.36Å; S342-V407 PolarHBondContact O-N 3.24Å
408K98.3Very high97.6Very high77 Ų7752.7 Ų52.734%0.33526%0.259SS..  trans-125.3117.6-174.4-52.2-58.9171-163.10111.6S405 F406 P423S405-K408 WeakPolarHBondContact CB-O 3.36Å; S405-K408 PolarHBondContact OG-O 2.88Å; F406-K408 PolarHBondContact O-N 3.2Å; K408-P423 HydrophobicContact CG-CG 4.08Å
409G97.7Very high97.6Very high5 Ų548.9 Ų48.95%0.05224%0.244CC..  trans-71.8163.217300000113.8F344F344-G409 VanDerWaalsContact CD1-CA 3.43Å; F344-G409 VanDerWaalsContact CG-CA 3.49Å
410W98.6Very high97.7Very high5 Ų550.9 Ų50.92%0.01926%0.257CS..  trans-146.1171.6172.781.597.4000110.2F344 Q346 V361 R403 Y414 R416 V419 T422F344-W410 HydrophobicContact CB-CE3 4.18Å; F344-W410 HydrophobicContact CB-CZ3 3.77Å; F344-W410 VanDerWaalsContact O-CZ3 3.26Å; F344-W410 WeakPolarHBondContact O-CZ3 3.37Å; Q346-W410 HydrophobicContact CB-CH2 4.14Å; Q346-W410 HydrophobicContact CB-CZ2 3.59Å; V361-W410 WeakPolarHBondContact CB-O 3.46Å; V361-W410 HydrophobicContact CG1-CD2 4.04Å; V361-W410 HydrophobicContact CG1-CE3 3.82Å; V361-W410 HydrophobicContact CG1-CH2 3.89Å; V361-W410 HydrophobicContact CG1-CZ2 4.11Å; V361-W410 HydrophobicContact CG1-CZ3 3.72Å; V361-W410 HydrophobicContact CG2-CD2 4.05Å; V361-W410 HydrophobicContact CG2-CG 4.38Å; V361-W410 HydrophobicContact CG2-CZ2 3.93Å; V361-W410 WeakPolarHBondContact CG2-O 3.27Å; R403-W410 HydrophobicContact CB-CH2 4.42Å; R403-W410 HydrophobicContact CB-CZ2 4.26Å; W410-Y414 WeakPolarHBondContact O-CD2 3.37Å; W410-R416 CarbonylContact C-O 3.48Å; W410-R416 WeakPolarHBondContact CA-O 3.39Å; W410-R416 HydrophobicContact CB-CB 3.89Å; W410-R416 WeakPolarHBondContact CB-O 3.33Å; W410-V419 VanDerWaalsContact CD1-N 3.32Å; W410-V419 HydrophobicContact CD2-CB 4.1Å; W410-V419 HydrophobicContact CD2-CG2 4.05Å; W410-V419 HydrophobicContact CE3-CG2 4.29Å; W410-V419 HydrophobicContact CG-CB 4.33Å; W410-V419 HydrophobicContact CH2-CG2 4.03Å; W410-V419 HydrophobicContact CZ2-CB 4.06Å; W410-V419 HydrophobicContact CZ2-CG2 3.73Å; W410-V419 HydrophobicContact CZ3-CG2 4.29Å; W410-T422 HydrophobicContact CB-CG2 3.79Å; W410-T422 HydrophobicContact CD2-CG2 4.27Å; W410-T422 HydrophobicContact CE3-CG2 4Å; W410-T422 HydrophobicContact CG-CG2 4.22Å
411G97.2Very high97.7Very high13 Ų1353.4 Ų53.413%0.13428%0.275CS..SBendtrans93.9-171.7-173.200000112.3E413 Y414 R416 Q417G411-E413 VanDerWaalsContact C-N 3.3Å; G411-E413 PolarHBondContact O-N 3.03Å; G411-E413 VanDerWaalsContact O-N 3.12Å; G411-Y414 PolarHBondContact O-N 2.78Å; G411-Y414 VanDerWaalsContact O-O 3.09Å; G411-R416 PolarHBondContact N-O 3.36Å; G411-Q417 PolarHBondContact N-O 2.97Å
412A95.1Very high97.7Very high82 Ų8252.1 Ų52.168%0.67827%0.267SS*.THydrogen-bonded Turntrans-50-42.5-168.500000114.8Y414A412-Y414 PolarHBondContact O-N 3.46Å; A412-Y414 VanDerWaalsContact O-N 3.17Å
413E92Very high97.7Very high129 Ų12952.1 Ų52.160%0.60327%0.267SS*.THydrogen-bonded Turntrans-76.14.6-178.1-53.2-53.1127.200114.5G411G411-E413 VanDerWaalsContact C-N 3.3Å; G411-E413 PolarHBondContact O-N 3.03Å; G411-E413 VanDerWaalsContact O-N 3.12Å
414Y96.5Very high97.7Very high73 Ų7347.9 Ų47.929%0.28625%0.251SS..SBendtrans-136.9151.9-172.9-56.6-84.9000111.9F344 W410 G411 A412 R416 Q417F344-Y414 HydrophobicContact CD1-CE1 4.49Å; F344-Y414 HydrophobicContact CD1-CE2 4.49Å; F344-Y414 AromaticContact CE1-CE1 3.87Å; F344-Y414 HydrophobicContact CE1-CE1 3.87Å; F344-Y414 AromaticContact CE1-CZ 3.71Å; F344-Y414 WeakPolarHBondContact CE1-OH 3.32Å; W410-Y414 WeakPolarHBondContact O-CD2 3.37Å; G411-Y414 PolarHBondContact O-N 2.78Å; G411-Y414 VanDerWaalsContact O-O 3.09Å; A412-Y414 PolarHBondContact O-N 3.46Å; A412-Y414 VanDerWaalsContact O-N 3.17Å; Y414-R416 PolarHBondContact O-N 2.66Å; Y414-R416 VanDerWaalsContact O-N 3.13Å; Y414-Q417 PolarHBondContact O-NE2 3.42Å
415H97.1Very high97.7Very high187 Ų18748.3 Ų48.387%0.86625%0.252SS*.SBendtrans-58.9-26175176.764.9000113.6
416R97.8Very high97.7Very high71 Ų7148.3 Ų48.327%0.26825%0.252SS..  trans-86.7114.2175.1-68.4172.7173.571.813.6109.2W410 G411 Y414 S421W410-R416 CarbonylContact C-O 3.48Å; W410-R416 WeakPolarHBondContact CA-O 3.39Å; W410-R416 HydrophobicContact CB-CB 3.89Å; W410-R416 WeakPolarHBondContact CB-O 3.33Å; G411-R416 PolarHBondContact N-O 3.36Å; Y414-R416 PolarHBondContact O-N 2.66Å; Y414-R416 VanDerWaalsContact O-N 3.13Å; R416-S421 WeakPolarHBondContact CD-O 3.44Å; R416-S421 PolarHBondContact NE-O 2.94Å
417Q97.6Very high97.7Very high113 Ų11349.2 Ų49.253%0.52826%0.257SS..  trans-78.5-40.3174.7-61.7-50.7-49.800112G411 Y414G411-Q417 PolarHBondContact N-O 2.97Å; Y414-Q417 PolarHBondContact O-NE2 3.42Å
418D97.4Very high97.7Very high101 Ų10148.1 Ų48.154%0.5425%0.25SC..SBendtrans-100.3147.1-178.7-64.8-76.8000114.1T420 S421D418-T420 WeakPolarHBondContact CB-OG1 3.29Å; D418-T420 PolarHBondContact O-N 3.39Å; D418-S421 WeakPolarHBondContact O-CB 3.38Å; D418-S421 PolarHBondContact O-N 2.78Å
419V98.2Very high97.7Very high11 Ų1146.8 Ų46.87%0.06725%0.245CC..G310 helixtrans-59.5-32.4173.173.10000112R403 W410 S421 T422 W425R403-V419 HydrophobicContact CB-CG2 4.49Å; W410-V419 VanDerWaalsContact CD1-N 3.32Å; W410-V419 HydrophobicContact CD2-CB 4.1Å; W410-V419 HydrophobicContact CD2-CG2 4.05Å; W410-V419 HydrophobicContact CE3-CG2 4.29Å; W410-V419 HydrophobicContact CG-CB 4.33Å; W410-V419 HydrophobicContact CH2-CG2 4.03Å; W410-V419 HydrophobicContact CZ2-CB 4.06Å; W410-V419 HydrophobicContact CZ2-CG2 3.73Å; W410-V419 HydrophobicContact CZ3-CG2 4.29Å; V419-S421 PolarHBondContact O-N 2.7Å; V419-T422 VanDerWaalsContact O-CB 3.3Å; V419-T422 WeakPolarHBondContact O-CB 3.48Å; V419-T422 WeakPolarHBondContact O-CG2 3.1Å; V419-T422 PolarHBondContact O-N 2.81Å; V419-T422 PolarHBondContact O-OG1 2.9Å; V419-W425 HydrophobicContact CG1-CD2 4.34Å; V419-W425 HydrophobicContact CG1-CE3 4.28Å; V419-W425 HydrophobicContact CG1-CH2 3.95Å; V419-W425 HydrophobicContact CG1-CZ2 3.99Å; V419-W425 HydrophobicContact CG1-CZ3 4.08Å; V419-W425 HydrophobicContact CG2-CB 4.17Å; V419-W425 HydrophobicContact CG2-CD2 3.55Å; V419-W425 HydrophobicContact CG2-CE3 3.62Å; V419-W425 HydrophobicContact CG2-CG 3.81Å; V419-W425 HydrophobicContact CG2-CZ3 4.23Å; V419-W425 PolarHBondContact O-NE1 3.23Å
420T98.4Very high97.7Very high58 Ų5846.7 Ų46.736%0.35624%0.243SC..G310 helixtrans-68.6-10.8176.551.20000113.5L269 N270 D418 W425L269-T420 CarbonylContact C-O 3.37Å; L269-T420 WeakPolarHBondContact CA-O 3.23Å; L269-T420 WeakPolarHBondContact CB-O 3.4Å; N270-T420 HydrophobicContact CB-CG2 4.26Å; D418-T420 WeakPolarHBondContact CB-OG1 3.29Å; D418-T420 PolarHBondContact O-N 3.39Å; T420-W425 HydrophobicContact CG2-CZ2 4.09Å
421S98.2Very high97.7Very high53 Ų5348 Ų4837%0.37125%0.251SS..G310 helixtrans-88.3-5.4169-63.40000112.7R416 D418 V419R416-S421 WeakPolarHBondContact CD-O 3.44Å; R416-S421 PolarHBondContact NE-O 2.94Å; D418-S421 WeakPolarHBondContact O-CB 3.38Å; D418-S421 PolarHBondContact O-N 2.78Å; V419-S421 PolarHBondContact O-N 2.7Å
422T98.6Very high97.7Very high0 Ų047.5 Ų47.50%025%0.245CC..SBendtrans-84.1140.817672.90000110.9L269 S405 W410 V419 C424L269-T422 WeakPolarHBondContact CA-O 3.34Å; L269-T422 PolarHBondContact N-O 3.19Å; S405-T422 VanDerWaalsContact OG-CB 3.26Å; S405-T422 WeakPolarHBondContact OG-CB 3.28Å; S405-T422 PolarHBondContact OG-OG1 3.25Å; W410-T422 HydrophobicContact CB-CG2 3.79Å; W410-T422 HydrophobicContact CD2-CG2 4.27Å; W410-T422 HydrophobicContact CE3-CG2 4Å; W410-T422 HydrophobicContact CG-CG2 4.22Å; V419-T422 VanDerWaalsContact O-CB 3.3Å; V419-T422 WeakPolarHBondContact O-CB 3.48Å; V419-T422 WeakPolarHBondContact O-CG2 3.1Å; V419-T422 PolarHBondContact O-N 2.81Å; V419-T422 PolarHBondContact O-OG1 2.9Å; T422-C424 VanDerWaalsContact C-N 3.33Å; T422-C424 PolarHBondContact O-N 2.83Å
423P98.6Very high97.8Very high1 Ų143.8 Ų43.81%0.00621%0.214CC..SBendtrans-74.1-24.2-170.5-16.332.3000113.6E268 T312 I313 T316 K408E268-P423 WeakPolarHBondContact CA-O 3.29Å; T312-P423 HydrophobicContact CG2-CB 4.4Å; T312-P423 HydrophobicContact CG2-CG 3.86Å; I313-P423 HydrophobicContact CB-CB 4.31Å; I313-P423 HydrophobicContact CG1-CB 3.85Å; I313-P423 WeakPolarHBondContact CG2-O 3.41Å; T316-P423 HydrophobicContact CG2-CB 4.09Å; T316-P423 HydrophobicContact CG2-CG 4.36Å; T316-P423 WeakPolarHBondContact OG1-CB 3.37Å; T316-P423 WeakPolarHBondContact OG1-CG 3.41Å; K408-P423 HydrophobicContact CG-CG 4.08Å
424C98.8Very high98.1Very high0 Ų039.7 Ų39.70%020%0.196CC..SBendtrans-148.9115.8-178.2-630000109.7Y266 T316 R317 I320 S405 F406 T422Y266-C424 HydrophobicContact CE2-CB 4.07Å; Y266-C424 PolarHBondContact OH-SG 3.12Å; T316-C424 HydrophobicContact CG2-CB 3.85Å; R317-C424 VanDerWaalsContact CG-SG 3.53Å; I320-C424 HydrophobicContact CD1-CB 4.24Å; S405-C424 PolarHBondContact OG-O 3.49Å; F406-C424 HydrophobicContact CB-CB 4.48Å; F406-C424 HydrophobicContact CD2-CB 4.42Å; F406-C424 PolarHBondContact N-O 2.95Å; T422-C424 VanDerWaalsContact C-N 3.33Å; T422-C424 PolarHBondContact O-N 2.83Å
425W98.9Very high98.1Very high9 Ų939.3 Ų39.33%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-147.1163.8176.563.8-78000111.9Y266 Y267 L269 R403 M404 V419 T420 E427Y266-W425 WeakPolarHBondContact CD2-O 3.46Å; Y267-W425 VanDerWaalsContact CB-NE1 3.34Å; Y267-W425 HydrophobicContact CD1-CH2 4.27Å; Y267-W425 AromaticContact CD1-CZ2 3.83Å; Y267-W425 HydrophobicContact CD1-CZ2 3.83Å; Y267-W425 HydrophobicContact CD2-CD2 4.36Å; Y267-W425 HydrophobicContact CD2-CE3 4.26Å; Y267-W425 AromaticContact CD2-CH2 3.81Å; Y267-W425 HydrophobicContact CD2-CH2 3.81Å; Y267-W425 AromaticContact CD2-CZ2 3.92Å; Y267-W425 HydrophobicContact CD2-CZ2 3.92Å; Y267-W425 HydrophobicContact CD2-CZ3 4.01Å; Y267-W425 HydrophobicContact CE1-CZ2 4.46Å; Y267-W425 HydrophobicContact CE2-CH2 4.11Å; Y267-W425 HydrophobicContact CE2-CZ3 4.37Å; Y267-W425 HydrophobicContact CG-CD2 4.3Å; Y267-W425 AromaticContact CG-CE2 3.76Å; Y267-W425 AromaticContact CG-CH2 3.92Å; Y267-W425 HydrophobicContact CG-CH2 3.92Å; Y267-W425 AromaticContact CG-CZ2 3.55Å; Y267-W425 HydrophobicContact CG-CZ2 3.55Å; Y267-W425 HydrophobicContact CG-CZ3 4.46Å; Y267-W425 PolarHBondContact N-O 3Å; Y267-W425 PolarHBondContact O-N 3.39Å; L269-W425 PolarHBondContact O-NE1 3.34Å; R403-W425 HydrophobicContact CG-CZ3 4.14Å; M404-W425 CarbonylContact O-C 3.54Å; M404-W425 WeakPolarHBondContact O-CA 3.42Å; M404-W425 VanDerWaalsContact O-CB 3.26Å; M404-W425 WeakPolarHBondContact O-CB 3.24Å; V419-W425 HydrophobicContact CG1-CD2 4.34Å; V419-W425 HydrophobicContact CG1-CE3 4.28Å; V419-W425 HydrophobicContact CG1-CH2 3.95Å; V419-W425 HydrophobicContact CG1-CZ2 3.99Å; V419-W425 HydrophobicContact CG1-CZ3 4.08Å; V419-W425 HydrophobicContact CG2-CB 4.17Å; V419-W425 HydrophobicContact CG2-CD2 3.55Å; V419-W425 HydrophobicContact CG2-CE3 3.62Å; V419-W425 HydrophobicContact CG2-CG 3.81Å; V419-W425 HydrophobicContact CG2-CZ3 4.23Å; V419-W425 PolarHBondContact O-NE1 3.23Å; T420-W425 HydrophobicContact CG2-CZ2 4.09Å; W425-E427 HydrophobicContact CZ3-CB 3.94Å
426V98.8Very high98.1Very high0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-123.9149173.3-69.20000111.2I264 V265 Y266 I286 M404 F406 I428I264-V426 HydrophobicContact CG2-CB 3.86Å; I264-V426 HydrophobicContact CG2-CG1 4.02Å; I264-V426 HydrophobicContact CG2-CG2 4.4Å; V265-V426 CarbonylContact O-C 3.54Å; V265-V426 WeakPolarHBondContact O-CA 3.4Å; Y266-V426 HydrophobicContact CD2-CG1 3.96Å; I286-V426 HydrophobicContact CD1-CG2 4.17Å; M404-V426 HydrophobicContact CB-CG2 3.97Å; M404-V426 HydrophobicContact CE-CG2 3.59Å; M404-V426 PolarHBondContact N-O 3.25Å; M404-V426 PolarHBondContact O-N 3.28Å; F406-V426 HydrophobicContact CE2-CG1 4.18Å; F406-V426 HydrophobicContact CE2-CG2 4.35Å; V426-I428 HydrophobicContact CG2-CG1 4.41Å
427E98.8Very high98Very high21 Ų2127.3 Ų27.310%0.09814%0.144CC..EExtended strand (participates in β ladder)trans-109.7125.1167.2-165.2165.164.400109I264 V265 Y267 T401 R403 W425 H429I264-E427 WeakPolarHBondContact CA-O 3.22Å; V265-E427 PolarHBondContact N-O 3.41Å; V265-E427 PolarHBondContact O-N 2.92Å; Y267-E427 HydrophobicContact CE2-CB 4.04Å; T401-E427 HydrophobicContact CG2-CG 3.41Å; T401-E427 VanDerWaalsContact CG2-CG 3.41Å; R403-E427 HydrophobicContact CG-CG 4.21Å; R403-E427 IonicContact CZ-OE2 3.54Å; R403-E427 IonicContact NE-OE2 3.31Å; R403-E427 PolarHBondContact NE-OE2 3.49Å; R403-E427 IonicContact NH2-OE2 2.68Å; R403-E427 PolarHBondContact NH2-OE2 2.95Å; W425-E427 HydrophobicContact CZ3-CB 3.94Å; E427-H429 IonicContact OE1-CE1 2.82Å; E427-H429 PolarHBondContact OE1-CE1 3.05Å; E427-H429 IonicContact OE1-NE2 2.74Å
428I98.7Very high97.9Very high1 Ų126.5 Ų26.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-111.1121.5-176.9-54.1162.9000107.8C262 I264 L326 T401 I402 M404 V426 L430C262-I428 HydrophobicContact CB-CG2 3.91Å; I264-I428 HydrophobicContact CG1-CG1 4.31Å; I264-I428 HydrophobicContact CG1-CG2 4.31Å; I264-I428 HydrophobicContact CG2-CG1 4.32Å; L326-I428 HydrophobicContact CD1-CD1 3.65Å; L326-I428 HydrophobicContact CD1-CG1 4.38Å; L326-I428 HydrophobicContact CD2-CD1 4.49Å; T401-I428 CarbonylContact C-O 3.49Å; T401-I428 WeakPolarHBondContact CA-O 3.38Å; I402-I428 HydrophobicContact CB-CB 4.35Å; I402-I428 HydrophobicContact CG2-CD1 4.41Å; I402-I428 PolarHBondContact N-O 2.79Å; I402-I428 PolarHBondContact O-N 3.36Å; M404-I428 HydrophobicContact CE-CD1 4.02Å; V426-I428 HydrophobicContact CG2-CG1 4.41Å; I428-L430 HydrophobicContact CG2-CD2 4.07Å
429H98.6Very high97.8Very high49 Ų4925.1 Ų25.123%0.22713%0.131CC..EExtended strand (participates in β ladder)trans-101.9122.9173.5-68.188.8000109.5C262 S263 T401 E427 N431 L434C262-H429 CarbonylContact C-O 3.57Å; C262-H429 WeakPolarHBondContact CA-O 3.11Å; C262-H429 WeakPolarHBondContact CB-O 3.43Å; S263-H429 PolarHBondContact N-O 3.49Å; S263-H429 PolarHBondContact O-N 2.73Å; T401-H429 PolarHBondContact OG1-CD2 2.98Å; T401-H429 VanDerWaalsContact OG1-CD2 3.3Å; T401-H429 PolarHBondContact OG1-NE2 3.35Å; E427-H429 IonicContact OE1-CE1 2.82Å; E427-H429 PolarHBondContact OE1-CE1 3.05Å; E427-H429 IonicContact OE1-NE2 2.74Å; H429-N431 PolarHBondContact O-N 3.32Å; H429-L434 HydrophobicContact CB-CD1 3.97Å
430L98.5Very high97.6Very high3 Ų324.6 Ų24.62%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-89.6103.4178.5-60.3-177.1000109.8W261 C262 V333 F373 C400 I402 I428 G432 P433 L434W261-L430 HydrophobicContact CE3-CD2 4.2Å; W261-L430 HydrophobicContact CZ3-CD2 3.96Å; C262-L430 HydrophobicContact CB-CD2 3.92Å; V333-L430 HydrophobicContact CG2-CD1 4.42Å; V333-L430 HydrophobicContact CG2-CD2 4.22Å; F373-L430 HydrophobicContact CB-CD1 3.73Å; F373-L430 HydrophobicContact CD1-CD1 3.64Å; F373-L430 HydrophobicContact CD2-CD1 3.41Å; F373-L430 VanDerWaalsContact CD2-CD1 3.41Å; F373-L430 HydrophobicContact CE1-CD1 4.04Å; F373-L430 HydrophobicContact CE2-CD1 3.83Å; F373-L430 HydrophobicContact CG-CD1 3.3Å; F373-L430 HydrophobicContact CZ-CD1 4.12Å; C400-L430 PolarHBondContact O-N 2.79Å; I402-L430 HydrophobicContact CD1-CD1 3.95Å; I428-L430 HydrophobicContact CG2-CD2 4.07Å; L430-G432 PolarHBondContact O-N 3.41Å; L430-P433 HydrophobicContact CB-CB 4.38Å; L430-P433 HydrophobicContact CB-CG 3.92Å; L430-P433 WeakPolarHBondContact O-CD 3.46Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.34Å
431N98.2Very high97.3Very high34 Ų3422.9 Ų22.918%0.18212%0.116CC..Hα-helixtrans-71.7-30.2-164.9-66.3-26.5000113.1P258 Y260 W261 S263 H429 Q435P258-N431 HydrophobicContact CB-CB 4.5Å; P258-N431 HydrophobicContact CG-CB 3.89Å; Y260-N431 VanDerWaalsContact O-CB 3.28Å; Y260-N431 WeakPolarHBondContact O-CB 3.44Å; Y260-N431 PolarHBondContact O-ND2 3.46Å; W261-N431 PolarHBondContact O-N 3.44Å; S263-N431 PolarHBondContact OG-ND2 3.28Å; H429-N431 PolarHBondContact O-N 3.32Å; N431-Q435 VanDerWaalsContact O-CB 3.29Å; N431-Q435 WeakPolarHBondContact O-CB 3.28Å; N431-Q435 PolarHBondContact O-N 3.1Å
432G97.1Very high96.9Very high1 Ų125.4 Ų25.41%0.0113%0.129CC..Hα-helixtrans-67-56.5175.600000112.1Y255 L430 L434 Q435 W436Y255-G432 WeakPolarHBondContact OH-CA 3.49Å; L430-G432 PolarHBondContact O-N 3.41Å; G432-L434 VanDerWaalsContact C-N 3.3Å; G432-L434 PolarHBondContact O-N 3.1Å; G432-Q435 PolarHBondContact O-N 3.03Å; G432-W436 PolarHBondContact O-N 2.96Å
433P97.6Very high96.5Very high4 Ų429.2 Ų29.23%0.02615%0.147CC..Hα-helixtrans-51.3-43.4170.1-31.737.9000113.9F373 F378 C400 L430 W436 L437F373-P433 HydrophobicContact CD1-CG 4.46Å; F373-P433 HydrophobicContact CE1-CB 4.28Å; F373-P433 HydrophobicContact CE1-CG 3.51Å; F373-P433 HydrophobicContact CZ-CB 3.98Å; F373-P433 HydrophobicContact CZ-CG 3.71Å; F378-P433 HydrophobicContact CD1-CB 3.97Å; F378-P433 HydrophobicContact CE1-CB 3.75Å; F378-P433 HydrophobicContact CG-CB 4.48Å; F378-P433 HydrophobicContact CZ-CB 4.09Å; C400-P433 HydrophobicContact CB-CB 4.2Å; L430-P433 HydrophobicContact CB-CB 4.38Å; L430-P433 HydrophobicContact CB-CG 3.92Å; L430-P433 WeakPolarHBondContact O-CD 3.46Å; P433-W436 PolarHBondContact O-N 2.72Å; P433-L437 WeakPolarHBondContact O-CB 3.3Å; P433-L437 PolarHBondContact O-N 3.1Å
434L97.9Very high95.9Very high44 Ų4430.3 Ų30.323%0.2315%0.152CC..Hα-helixtrans-62.3-47.7174.9-74.2170.8000112.7T397 C400 H429 L430 G432 W436 L437 D438T397-L434 HydrophobicContact CG2-CD2 4.02Å; C400-L434 HydrophobicContact CB-CD2 3.58Å; C400-L434 HydrophobicContact CB-CG 3.66Å; H429-L434 HydrophobicContact CB-CD1 3.97Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.34Å; G432-L434 VanDerWaalsContact C-N 3.3Å; G432-L434 PolarHBondContact O-N 3.1Å; L434-W436 VanDerWaalsContact C-N 3.28Å; L434-W436 PolarHBondContact O-N 3.34Å; L434-L437 PolarHBondContact O-N 3.3Å; L434-D438 WeakPolarHBondContact O-CB 3.22Å; L434-D438 PolarHBondContact O-N 2.9Å
435Q96.9Very high95.1Very high65 Ų6532 Ų3230%0.30417%0.171SC..Hα-helixtrans-63.7-34.5178.1177.2172.799.200112.1N431 G432 R439N431-Q435 VanDerWaalsContact O-CB 3.29Å; N431-Q435 WeakPolarHBondContact O-CB 3.28Å; N431-Q435 PolarHBondContact O-N 3.1Å; G432-Q435 PolarHBondContact O-N 3.03Å; Q435-R439 WeakPolarHBondContact O-CD 3.46Å; Q435-R439 VanDerWaalsContact O-CG 3.26Å; Q435-R439 WeakPolarHBondContact O-CG 3.43Å; Q435-R439 PolarHBondContact O-N 3.2Å
436W96.5Very high94.3Very high2 Ų237.4 Ų37.41%0.00820%0.204CC..Hα-helixtrans-68.7-43.1176-1627.6000111.4L140 P141 V143 V253 Y255 F378 A379 L382 G432 P433 L434 R439 V440L140-W436 HydrophobicContact CB-CH2 3.87Å; L140-W436 HydrophobicContact CB-CZ3 4.36Å; L140-W436 HydrophobicContact CD1-CH2 4.3Å; L140-W436 HydrophobicContact CD1-CZ3 3.95Å; P141-W436 VanDerWaalsContact O-CZ2 3.31Å; P141-W436 WeakPolarHBondContact O-CZ2 3.42Å; V143-W436 HydrophobicContact CG2-CH2 4.42Å; V143-W436 HydrophobicContact CG2-CZ2 3.66Å; V253-W436 PolarHBondContact O-NE1 2.86Å; Y255-W436 HydrophobicContact CD2-CB 4.09Å; Y255-W436 AromaticContact CD2-CD2 3.83Å; Y255-W436 HydrophobicContact CD2-CD2 3.83Å; Y255-W436 AromaticContact CD2-CE3 3.47Å; Y255-W436 HydrophobicContact CD2-CE3 3.47Å; Y255-W436 VanDerWaalsContact CD2-CE3 3.47Å; Y255-W436 HydrophobicContact CD2-CG 4.15Å; Y255-W436 HydrophobicContact CD2-CZ3 4.04Å; Y255-W436 HydrophobicContact CE2-CE3 4.34Å; Y255-W436 HydrophobicContact CG-CD2 4.42Å; Y255-W436 HydrophobicContact CG-CE3 4.22Å; Y255-W436 HydrophobicContact CG-CZ3 4.48Å; F378-W436 HydrophobicContact CD1-CE3 4.21Å; F378-W436 HydrophobicContact CE1-CE3 4.35Å; A379-W436 HydrophobicContact CB-CH2 3.45Å; A379-W436 VanDerWaalsContact CB-CH2 3.45Å; A379-W436 HydrophobicContact CB-CZ3 3.55Å; L382-W436 HydrophobicContact CD2-CD2 4.08Å; L382-W436 HydrophobicContact CD2-CE3 4.39Å; L382-W436 HydrophobicContact CD2-CG 4.14Å; G432-W436 PolarHBondContact O-N 2.96Å; P433-W436 PolarHBondContact O-N 2.72Å; L434-W436 VanDerWaalsContact C-N 3.28Å; L434-W436 PolarHBondContact O-N 3.34Å; W436-R439 PolarHBondContact O-N 3Å; W436-V440 WeakPolarHBondContact O-CG2 3.4Å; W436-V440 PolarHBondContact O-N 2.81Å; W436-V440 VanDerWaalsContact O-N 3.15Å
437L96.4Very high93.5Very high3 Ų340 Ų402%0.01622%0.221CC..Hα-helixtrans-63.1-46.4177.7-171.967.4000112.3F378 L382 V393 L396 T397 P433 L434 R439 V440 L441F378-L437 HydrophobicContact CZ-CB 4.4Å; L382-L437 HydrophobicContact CD1-CD1 3.57Å; V393-L437 HydrophobicContact CG1-CD1 3.48Å; V393-L437 VanDerWaalsContact CG1-CD1 3.48Å; L396-L437 HydrophobicContact CB-CD1 3.96Å; L396-L437 HydrophobicContact CB-CD2 4.25Å; L396-L437 HydrophobicContact CD1-CD1 4.44Å; T397-L437 VanDerWaalsContact N-CD2 3.28Å; T397-L437 WeakPolarHBondContact OG1-CD2 3.26Å; P433-L437 WeakPolarHBondContact O-CB 3.3Å; P433-L437 PolarHBondContact O-N 3.1Å; L434-L437 PolarHBondContact O-N 3.3Å; L437-R439 VanDerWaalsContact C-N 3.33Å; L437-R439 PolarHBondContact O-N 3.47Å; L437-V440 PolarHBondContact O-N 3.12Å; L437-V440 VanDerWaalsContact O-N 3.13Å; L437-L441 HydrophobicContact CG-CD1 4.03Å; L437-L441 WeakPolarHBondContact O-CG 3.49Å; L437-L441 PolarHBondContact O-N 3.27Å
438D94.9Very high92.6Very high97 Ų9749.5 Ų49.552%0.51926%0.256SS..Hα-helixtrans-54.1-46.4175.9171.874000112.3L434 V440 L441 T442L434-D438 WeakPolarHBondContact O-CB 3.22Å; L434-D438 PolarHBondContact O-N 2.9Å; D438-V440 PolarHBondContact O-N 2.95Å; D438-L441 PolarHBondContact O-N 2.82Å; D438-T442 WeakPolarHBondContact O-CB 3.33Å; D438-T442 PolarHBondContact O-N 2.9Å; D438-T442 PolarHBondContact O-OG1 3.46Å
439R94.3Very high91.9Very high71 Ų7154.8 Ų54.827%0.26829%0.285SS..Hα-helixtrans-67.1-32.2177-69.9168.9177-175.7-1.8113.7V253 Q256 Q435 W436 L437V253-R439 HydrophobicContact CG1-CB 3.56Å; Q256-R439 VanDerWaalsContact CD-NH1 3.26Å; Q256-R439 VanDerWaalsContact OE1-CZ 3.3Å; Q435-R439 WeakPolarHBondContact O-CD 3.46Å; Q435-R439 VanDerWaalsContact O-CG 3.26Å; Q435-R439 WeakPolarHBondContact O-CG 3.43Å; Q435-R439 PolarHBondContact O-N 3.2Å; W436-R439 PolarHBondContact O-N 3Å; L437-R439 VanDerWaalsContact C-N 3.33Å; L437-R439 PolarHBondContact O-N 3.47Å
440V94Very high91.2Very high0 Ų058.5 Ų58.50%031%0.313CS..Hα-helixtrans-69.9-50.6173.2168.80000109.9V143 V145 V253 L382 V386 V393 W436 L437 D438 T442 Q443 M444V143-V440 HydrophobicContact CB-CG2 3.97Å; V143-V440 HydrophobicContact CG1-CG1 4.36Å; V143-V440 HydrophobicContact CG1-CG2 3.7Å; V143-V440 HydrophobicContact CG2-CG2 4.45Å; V145-V440 HydrophobicContact CG2-CB 4.37Å; V145-V440 HydrophobicContact CG2-CG1 3.93Å; V145-V440 HydrophobicContact CG2-CG2 4.23Å; V253-V440 HydrophobicContact CB-CG2 4Å; V253-V440 HydrophobicContact CG1-CG2 3.99Å; V253-V440 HydrophobicContact CG2-CG2 4.17Å; L382-V440 HydrophobicContact CD1-CB 4.48Å; L382-V440 HydrophobicContact CD1-CG1 4.2Å; L382-V440 HydrophobicContact CD1-CG2 4.46Å; L382-V440 HydrophobicContact CD2-CG2 4.2Å; L382-V440 HydrophobicContact CG-CG2 4.49Å; V386-V440 HydrophobicContact CG2-CG1 3.72Å; V393-V440 HydrophobicContact CG1-CG1 4.06Å; W436-V440 WeakPolarHBondContact O-CG2 3.4Å; W436-V440 PolarHBondContact O-N 2.81Å; W436-V440 VanDerWaalsContact O-N 3.15Å; L437-V440 PolarHBondContact O-N 3.12Å; L437-V440 VanDerWaalsContact O-N 3.13Å; D438-V440 PolarHBondContact O-N 2.95Å; V440-T442 VanDerWaalsContact C-N 3.29Å; V440-T442 PolarHBondContact O-N 3.4Å; V440-Q443 PolarHBondContact O-N 3.02Å; V440-M444 HydrophobicContact CG1-CG 4.47Å; V440-M444 HydrophobicContact CG1-SD 3.91Å; V440-M444 WeakPolarHBondContact O-CG 3.33Å; V440-M444 PolarHBondContact O-N 3.01Å
441L92.9Very high90.7Very high22 Ų2266.2 Ų66.212%0.11535%0.352CS..Hα-helixtrans-57.5-41.5178.4-72.7168.2000112F390 V393 Y394 L437 D438 Q443 M444F390-L441 HydrophobicContact CD1-CD2 4.47Å; F390-L441 HydrophobicContact CD2-CD2 3.93Å; F390-L441 HydrophobicContact CE1-CD2 4.32Å; F390-L441 HydrophobicContact CE2-CB 4.23Å; F390-L441 HydrophobicContact CE2-CD2 3.78Å; F390-L441 HydrophobicContact CG-CD2 4.28Å; F390-L441 HydrophobicContact CZ-CD2 3.98Å; V393-L441 HydrophobicContact CB-CD2 3.93Å; V393-L441 HydrophobicContact CG1-CD2 3.63Å; V393-L441 HydrophobicContact CG1-CG 3.92Å; Y394-L441 HydrophobicContact CD2-CD1 4.1Å; L437-L441 HydrophobicContact CG-CD1 4.03Å; L437-L441 WeakPolarHBondContact O-CG 3.49Å; L437-L441 PolarHBondContact O-N 3.27Å; D438-L441 PolarHBondContact O-N 2.82Å; L441-Q443 PolarHBondContact O-N 3.18Å; L441-Q443 VanDerWaalsContact O-N 3.13Å; L441-M444 PolarHBondContact O-N 3.17Å
442T90.9Very high90.2Very high106 Ų10667.5 Ų67.565%0.6536%0.364SS*.Hα-helixtrans-57.9-25.3175.9-61.10000112.9D438 V440D438-T442 WeakPolarHBondContact O-CB 3.33Å; D438-T442 PolarHBondContact O-N 2.9Å; D438-T442 PolarHBondContact O-OG1 3.46Å; V440-T442 VanDerWaalsContact C-N 3.29Å; V440-T442 PolarHBondContact O-N 3.4Å
443Q88.3Confident90Very high81 Ų8173.3 Ų73.338%0.37941%0.405SS..Hα-helixtrans-96.1-6.8177.8-66.4-173.516.400114.1V145 H251 V440 L441V145-Q443 HydrophobicContact CB-CB 4.12Å; V145-Q443 HydrophobicContact CG1-CB 3.79Å; V145-Q443 HydrophobicContact CG2-CB 4.36Å; H251-Q443 VanDerWaalsContact CB-OE1 3.26Å; V440-Q443 PolarHBondContact O-N 3.02Å; L441-Q443 PolarHBondContact O-N 3.18Å; L441-Q443 VanDerWaalsContact O-N 3.13Å
444M87.2Confident89.7Confident23 Ų2379.5 Ų79.511%0.11344%0.442CS..Hα-helixtrans-92.8-7.3-177.2-69.6-177.88000114.6V145 V386 G389 F390 V393 V440 L441V145-M444 HydrophobicContact CG1-CG 3.65Å; V386-M444 HydrophobicContact CG1-CE 4.03Å; V386-M444 HydrophobicContact CG1-SD 4.22Å; V386-M444 VanDerWaalsContact O-CE 3.28Å; V386-M444 WeakPolarHBondContact O-CE 3.09Å; G389-M444 VanDerWaalsContact C-CE 3.45Å; F390-M444 HydrophobicContact CD2-CB 4.2Å; V393-M444 HydrophobicContact CB-SD 4.02Å; V393-M444 HydrophobicContact CG1-SD 4.18Å; V393-M444 HydrophobicContact CG2-CE 3.85Å; V393-M444 HydrophobicContact CG2-SD 3.68Å; V440-M444 HydrophobicContact CG1-CG 4.47Å; V440-M444 HydrophobicContact CG1-SD 3.91Å; V440-M444 WeakPolarHBondContact O-CG 3.33Å; V440-M444 PolarHBondContact O-N 3.01Å; L441-M444 PolarHBondContact O-N 3.17Å
445G82Confident88.9Confident37 Ų3784.5 Ų84.538%0.38148%0.481SS..  trans78.6-152.9-17400000112.6F390F390-G445 WeakPolarHBondContact CD2-O 3.19Å; F390-G445 WeakPolarHBondContact CE2-O 3.43Å
446T82.1Confident88.5Confident121 Ų12185.5 Ų85.574%0.74249%0.49SS*.SBendtrans-95.6164-176.958.70000113.2
447P82.5Confident88.1Confident55 Ų5589.9 Ų89.936%0.35752%0.515SS..  trans-50.3150.1162-25.433.5000112.4F390 N449F390-P447 HydrophobicContact CD1-CB 4.47Å; F390-P447 HydrophobicContact CD1-CG 3.71Å; F390-P447 HydrophobicContact CE1-CG 3.72Å; F390-P447 HydrophobicContact CG-CG 4.47Å; F390-P447 HydrophobicContact CZ-CG 4.46Å; P447-N449 VanDerWaalsContact C-N 3.32Å
448R80.1Confident87.6Confident221 Ų22194.7 Ų94.783%0.83454%0.543SS*.SBendtrans-72.8-26.9178.3-68.2-176.9178177.10.7113P450R448-P450 WeakPolarHBondContact O-CD 3.34Å
449N82.5Confident87.2Confident112 Ų11294.6 Ų94.660%0.59954%0.544SS*.SBendtrans-94.5112.8-178-61.2-63.5000109.1E391 P447E391-N449 PolarHBondContact OE1-ND2 2.92Å; P447-N449 VanDerWaalsContact C-N 3.32Å
450P84Confident86.7Confident127 Ų12796.1 Ų96.183%0.82556%0.562SS**PPolyproline II helixtrans-68.3133.9174.628.5-33.6000110.2R448R448-P450 WeakPolarHBondContact O-CD 3.34Å
451I88.1Confident86.2Confident164 Ų164102.5 Ų102.584%0.84160%0.599SS**PPolyproline II helixtrans-78.2141.4173.4-166.1166.7000110.3
452S89.1Confident85.8Confident61 Ų61108.2 Ų108.243%0.42763%0.634SS.*PPolyproline II helixtrans-76.5142173.5171.30000110.4V454 S455S452-V454 VanDerWaalsContact C-N 3.28Å; S452-V454 PolarHBondContact OG-N 3.13Å; S452-V454 VanDerWaalsContact OG-N 3.1Å; S452-S455 WeakPolarHBondContact CB-OG 3.49Å; S452-S455 PolarHBondContact OG-N 2.9Å
453S92.9Very high85.4Confident124 Ų124108.4 Ų108.487%0.86763%0.632SS**SBendtrans-86.96.6171.753.70000113.6
454V89.6Confident85.1Confident134 Ų134110.7 Ų110.781%0.81265%0.653SS**  trans-131.7-7.8-169.6-166.30000113S452S452-V454 VanDerWaalsContact C-N 3.28Å; S452-V454 PolarHBondContact OG-N 3.13Å; S452-V454 VanDerWaalsContact OG-N 3.1Å
455S81.6Confident84.9Confident149 Ų149118.6 Ų118.6100%1.04270%0.702SS**  trans-91.90179.4600000112.5S452S452-S455 WeakPolarHBondContact CB-OG 3.49Å; S452-S455 PolarHBondContact OG-N 2.9Å

Retrieved 455 of 455 residues in 151 ms (Link to these results)

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