A0A5K4FBG2_SCHMA Loading...

Zf-3CxxC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M57.3Low74.5Confident194 Ų194118.3 Ų118.396%0.95658%0.577SS**  0-7.70-105.9179.7163.800114.5
2T63Low74.4Confident112 Ų112112.8 Ų112.869%0.68755%0.552SS**Hα-helixtrans-75-33.2-179.340.10000114.3Y4 Q6T2-Y4 PolarHBondContact O-N 3.36Å; T2-Q6 PolarHBondContact O-N 3.48Å
3N75.5Confident74.4Confident118 Ų118107.4 Ų107.463%0.63153%0.53SS*.Hα-helixtrans-65.1-40.7-176.1-164.4-45.1000113K5 Q6 H7N3-K5 PolarHBondContact O-N 3.04Å; N3-Q6 PolarHBondContact O-N 3.14Å; N3-H7 WeakPolarHBondContact O-CB 3.47Å; N3-H7 PolarHBondContact O-N 3.48Å
4Y81.2Confident74.4Confident168 Ų168105.3 Ų105.366%0.65952%0.518SS*.Hα-helixtrans-64.6-41.7-178.6-174.1-107.6000113.4T2 H7 I8T2-Y4 PolarHBondContact O-N 3.36Å; Y4-H7 PolarHBondContact O-N 2.93Å; Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.17Å; Y4-I8 HydrophobicContact CE1-CG1 4.2Å; Y4-I8 HydrophobicContact CE2-CD1 4.26Å; Y4-I8 HydrophobicContact CG-CD1 4.43Å; Y4-I8 VanDerWaalsContact CZ-CD1 3.49Å; Y4-I8 WeakPolarHBondContact O-CG1 3.32Å; Y4-I8 PolarHBondContact O-N 3.47Å
5K77.8Confident74.1Confident133 Ų133106 Ų10658%0.57852%0.524SS*.Hα-helixtrans-65.3-41.5177.3-72.4-169.5177-170.60111.8N3 H7 I8 Y9N3-K5 PolarHBondContact O-N 3.04Å; K5-H7 VanDerWaalsContact C-N 3.34Å; K5-I8 PolarHBondContact O-N 3.13Å; K5-Y9 WeakPolarHBondContact O-CB 3.12Å; K5-Y9 PolarHBondContact O-N 3.49Å
6Q77.4Confident73.9Confident134 Ų134103.3 Ų103.363%0.62651%0.509SS*.Hα-helixtrans-63.4-42175.7-73.3175.1-26.900111.4T2 N3 Y9 S10T2-Q6 PolarHBondContact O-N 3.48Å; N3-Q6 PolarHBondContact O-N 3.14Å; Q6-Y9 PolarHBondContact O-N 2.79Å; Q6-S10 WeakPolarHBondContact O-CB 3.47Å; Q6-S10 PolarHBondContact O-N 3.06Å
7H77.8Confident73.9Confident109 Ų109105.1 Ų105.151%0.50552%0.517SS..Hα-helixtrans-63.2-44.6177.6-166.7-94.8000112.3N3 Y4 K5 Y9 S10 I11N3-H7 WeakPolarHBondContact O-CB 3.47Å; N3-H7 PolarHBondContact O-N 3.48Å; Y4-H7 PolarHBondContact O-N 2.93Å; K5-H7 VanDerWaalsContact C-N 3.34Å; H7-Y9 PolarHBondContact O-N 3.35Å; H7-S10 PolarHBondContact O-N 3.33Å; H7-I11 VanDerWaalsContact CE1-CD1 3.49Å; H7-I11 WeakPolarHBondContact CE1-CD1 3.42Å; H7-I11 WeakPolarHBondContact ND1-CD1 3.45Å; H7-I11 WeakPolarHBondContact O-CG1 3.48Å; H7-I11 PolarHBondContact O-N 3.03Å
8I78.3Confident74.2Confident78 Ų78106.5 Ų106.540%0.452%0.515SS..Hα-helixtrans-60.1-46.3174.6-71.4172.8000111.1Y4 K5 S10 I11 D12Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.17Å; Y4-I8 HydrophobicContact CE1-CG1 4.2Å; Y4-I8 HydrophobicContact CE2-CD1 4.26Å; Y4-I8 HydrophobicContact CG-CD1 4.43Å; Y4-I8 VanDerWaalsContact CZ-CD1 3.49Å; Y4-I8 WeakPolarHBondContact O-CG1 3.32Å; Y4-I8 PolarHBondContact O-N 3.47Å; K5-I8 PolarHBondContact O-N 3.13Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3.33Å; I8-I11 PolarHBondContact O-N 3.46Å; I8-D12 WeakPolarHBondContact O-CB 3.32Å; I8-D12 PolarHBondContact O-N 3.45Å
9Y75.1Confident74.7Confident111 Ų111101.7 Ų101.744%0.43549%0.492SS..Hα-helixtrans-62-38.5179.6-173.9-93.7000112K5 Q6 H7 D12 T13 I77K5-Y9 WeakPolarHBondContact O-CB 3.12Å; K5-Y9 PolarHBondContact O-N 3.49Å; Q6-Y9 PolarHBondContact O-N 2.79Å; H7-Y9 PolarHBondContact O-N 3.35Å; Y9-D12 PolarHBondContact O-N 2.93Å; Y9-T13 WeakPolarHBondContact O-CB 3.4Å; Y9-T13 PolarHBondContact O-N 2.99Å; Y9-T13 PolarHBondContact O-OG1 3.22Å; Y9-I77 HydrophobicContact CE2-CD1 4.42Å
10S77.1Confident75.2Confident72 Ų72100.3 Ų100.350%0.50349%0.485SS..Hα-helixtrans-63.4-45.4174.9-170.40000112.1Q6 H7 I8 T13 E14Q6-S10 WeakPolarHBondContact O-CB 3.47Å; Q6-S10 PolarHBondContact O-N 3.06Å; H7-S10 PolarHBondContact O-N 3.33Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3.33Å; S10-T13 PolarHBondContact O-N 3.2Å; S10-E14 WeakPolarHBondContact O-CB 3.41Å; S10-E14 PolarHBondContact O-N 3.13Å
11I79.4Confident75.7Confident72 Ų7299.9 Ų99.937%0.36948%0.484SS..Hα-helixtrans-61.8-46.9177.3-69.2166.4000110.5H7 I8 T13 E14 L15H7-I11 VanDerWaalsContact CE1-CD1 3.49Å; H7-I11 WeakPolarHBondContact CE1-CD1 3.42Å; H7-I11 WeakPolarHBondContact ND1-CD1 3.45Å; H7-I11 WeakPolarHBondContact O-CG1 3.48Å; H7-I11 PolarHBondContact O-N 3.03Å; I8-I11 PolarHBondContact O-N 3.46Å; I11-T13 VanDerWaalsContact C-N 3.31Å; I11-T13 PolarHBondContact O-N 3.45Å; I11-E14 PolarHBondContact O-N 3.28Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.45Å
12D73.3Confident77.2Confident52 Ų5293 Ų9328%0.27845%0.452SS..Hα-helixtrans-61.7-40.5-179.4-178.760.2000111.7I8 Y9 H16 R68I8-D12 WeakPolarHBondContact O-CB 3.32Å; I8-D12 PolarHBondContact O-N 3.45Å; Y9-D12 PolarHBondContact O-N 2.93Å; D12-H16 WeakPolarHBondContact O-CB 3.42Å; D12-H16 PolarHBondContact O-N 3.42Å; D12-R68 IonicContact OD1-CZ 2.7Å; D12-R68 IonicContact OD1-NH1 3.14Å; D12-R68 PolarHBondContact OD1-NH1 3.2Å; D12-R68 IonicContact OD2-CZ 2.9Å; D12-R68 IonicContact OD2-NH1 3.85Å; D12-R68 PolarHBondContact OD2-NH1 3.02Å; D12-R68 IonicContact OD2-NH2 2.75Å; D12-R68 PolarHBondContact OD2-NH2 3.49Å
13T73.6Confident78.6Confident43 Ų4388 Ų8826%0.26442%0.421SS..Hα-helixtrans-64.3-47.8174.6-55.30000111.5Y9 S10 I11 L15 H16 E17Y9-T13 WeakPolarHBondContact O-CB 3.4Å; Y9-T13 PolarHBondContact O-N 2.99Å; Y9-T13 PolarHBondContact O-OG1 3.22Å; S10-T13 PolarHBondContact O-N 3.2Å; I11-T13 VanDerWaalsContact C-N 3.31Å; I11-T13 PolarHBondContact O-N 3.45Å; T13-L15 PolarHBondContact O-N 3.38Å; T13-H16 WeakPolarHBondContact O-CB 3.4Å; T13-H16 PolarHBondContact O-N 3.38Å; T13-E17 WeakPolarHBondContact O-CG 3.29Å; T13-E17 PolarHBondContact O-N 2.9Å
14E75.1Confident79.4Confident78 Ų7884.4 Ų84.436%0.36440%0.402SS..Hα-helixtrans-62.1-42.4179.2-176.5-179.1176.800112.1S10 I11 H16 E17 R18S10-E14 WeakPolarHBondContact O-CB 3.41Å; S10-E14 PolarHBondContact O-N 3.13Å; I11-E14 PolarHBondContact O-N 3.28Å; E14-H16 VanDerWaalsContact C-N 3.28Å; E14-H16 PolarHBondContact O-N 2.95Å; E14-E17 PolarHBondContact O-N 2.7Å; E14-R18 WeakPolarHBondContact O-CB 3.43Å; E14-R18 WeakPolarHBondContact O-CG 3.45Å; E14-R18 PolarHBondContact O-N 2.95Å; E14-R18 VanDerWaalsContact O-N 3.07Å; E14-R18 IonicContact OE1-CZ 3.83Å; E14-R18 IonicContact OE1-NE 2.86Å; E14-R18 IonicContact OE1-NH1 2.74Å; E14-R18 PolarHBondContact OE1-NH1 2.78Å; E14-R18 IonicContact OE1-NH2 3.25Å; E14-R18 PolarHBondContact OE1-NH2 3.17Å
15L70.4Confident79.9Confident116 Ų11678.3 Ų78.361%0.60739%0.39SS*.Hα-helixtrans-61.6-39.8175.8-74.6174000111.4I11 T13 R18 L19I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.45Å; T13-L15 PolarHBondContact O-N 3.38Å; L15-R18 CarbonylContact O-C 3.54Å; L15-R18 PolarHBondContact O-N 3.26Å; L15-L19 PolarHBondContact O-N 2.92Å; L15-L19 VanDerWaalsContact O-N 3.16Å
16H71.1Confident80.7Confident62 Ų6274.9 Ų74.929%0.28737%0.374SS..Hα-helixtrans-67.8-44.7178.7-168.6105.3000112.3D12 T13 E14 R18 L19 S131D12-H16 WeakPolarHBondContact O-CB 3.42Å; D12-H16 PolarHBondContact O-N 3.42Å; T13-H16 WeakPolarHBondContact O-CB 3.4Å; T13-H16 PolarHBondContact O-N 3.38Å; E14-H16 VanDerWaalsContact C-N 3.28Å; E14-H16 PolarHBondContact O-N 2.95Å; H16-R18 PolarHBondContact O-N 3.01Å; H16-L19 WeakPolarHBondContact O-CB 3.42Å; H16-L19 PolarHBondContact O-N 3.4Å; H16-S131 WeakPolarHBondContact CE1-CB 3.42Å; H16-S131 PolarHBondContact CE1-OG 3.48Å; H16-S131 PolarHBondContact ND1-OG 2.98Å; H16-S131 WeakPolarHBondContact NE2-CB 3.33Å
17E73.1Confident81.6Confident135 Ų13568.8 Ų68.863%0.63135%0.346SS*.Hα-helixtrans-59.6-31.6174.7-72.4179172.700111.9T13 E14 H20T13-E17 WeakPolarHBondContact O-CG 3.29Å; T13-E17 PolarHBondContact O-N 2.9Å; E14-E17 PolarHBondContact O-N 2.7Å; E17-H20 PolarHBondContact O-CE1 3.22Å; E17-H20 VanDerWaalsContact O-CE1 3.23Å; E17-H20 PolarHBondContact O-ND1 2.75Å
18R80.3Confident82.4Confident130 Ų13069.8 Ų69.849%0.49135%0.346SS..THydrogen-bonded Turntrans-92.95.6-179.6-69.8-174.1-179.6160.515.1115.1E14 L15 H16 H20 I21E14-R18 WeakPolarHBondContact O-CB 3.43Å; E14-R18 WeakPolarHBondContact O-CG 3.45Å; E14-R18 PolarHBondContact O-N 2.95Å; E14-R18 VanDerWaalsContact O-N 3.07Å; E14-R18 IonicContact OE1-CZ 3.83Å; E14-R18 IonicContact OE1-NE 2.86Å; E14-R18 IonicContact OE1-NH1 2.74Å; E14-R18 PolarHBondContact OE1-NH1 2.78Å; E14-R18 IonicContact OE1-NH2 3.25Å; E14-R18 PolarHBondContact OE1-NH2 3.17Å; L15-R18 CarbonylContact O-C 3.54Å; L15-R18 PolarHBondContact O-N 3.26Å; H16-R18 PolarHBondContact O-N 3.01Å; R18-H20 PolarHBondContact O-N 3.49Å; R18-H20 VanDerWaalsContact O-N 3.09Å; R18-I21 HydrophobicContact CB-CD1 3.96Å; R18-I21 HydrophobicContact CB-CG1 4.41Å; R18-I21 HydrophobicContact CG-CD1 4Å; R18-I21 VanDerWaalsContact O-CB 3.25Å; R18-I21 WeakPolarHBondContact O-CB 3.37Å; R18-I21 WeakPolarHBondContact O-CG1 3.48Å; R18-I21 PolarHBondContact O-N 2.84Å
19L83.2Confident83.1Confident16 Ų1672 Ų728%0.08435%0.354CS..Hα-helixtrans-57-30.9-178.5-176.369.5000113.1L15 H16 I21 V22 W23 T132 P134 V137L15-L19 PolarHBondContact O-N 2.92Å; L15-L19 VanDerWaalsContact O-N 3.16Å; H16-L19 WeakPolarHBondContact O-CB 3.42Å; H16-L19 PolarHBondContact O-N 3.4Å; L19-I21 PolarHBondContact O-N 2.96Å; L19-V22 WeakPolarHBondContact O-CB 2.99Å; L19-V22 PolarHBondContact O-N 3.4Å; L19-W23 PolarHBondContact O-N 3.31Å; L19-T132 VanDerWaalsContact CD1-O 3.23Å; L19-T132 WeakPolarHBondContact CD1-O 3.37Å; L19-T132 WeakPolarHBondContact CD2-O 3.49Å; L19-P134 HydrophobicContact CD1-CG 4.1Å; L19-V137 HydrophobicContact CD1-CG2 4.36Å
20H83.5Confident84Confident73 Ų7368.3 Ų68.334%0.33834%0.342SS..Hα-helixtrans-58.1-28.9174.566.1-85.4000113.3E17 R18 V22 W23 L24E17-H20 PolarHBondContact O-CE1 3.22Å; E17-H20 VanDerWaalsContact O-CE1 3.23Å; E17-H20 PolarHBondContact O-ND1 2.75Å; R18-H20 PolarHBondContact O-N 3.49Å; R18-H20 VanDerWaalsContact O-N 3.09Å; H20-V22 VanDerWaalsContact C-N 3.32Å; H20-W23 WeakPolarHBondContact O-CB 3.14Å; H20-W23 PolarHBondContact O-N 3.28Å; H20-L24 WeakPolarHBondContact O-CB 3.32Å; H20-L24 WeakPolarHBondContact O-CG 3.4Å; H20-L24 PolarHBondContact O-N 2.85Å
21I87.2Confident84.7Confident91 Ų9164.9 Ų64.947%0.46732%0.318SS..Hα-helixtrans-67-36.7175.8-56.9-179.6000110.4R18 L19 L24 G25R18-I21 HydrophobicContact CB-CD1 3.96Å; R18-I21 HydrophobicContact CB-CG1 4.41Å; R18-I21 HydrophobicContact CG-CD1 4Å; R18-I21 VanDerWaalsContact O-CB 3.25Å; R18-I21 WeakPolarHBondContact O-CB 3.37Å; R18-I21 WeakPolarHBondContact O-CG1 3.48Å; R18-I21 PolarHBondContact O-N 2.84Å; L19-I21 PolarHBondContact O-N 2.96Å; I21-L24 PolarHBondContact O-N 3.17Å; I21-G25 PolarHBondContact O-N 2.84Å
22V88.3Confident85.3Confident49 Ų4963 Ų6330%0.29731%0.31SS..Hα-helixtrans-65.6-45.3176.6-178.70000110.3L19 H20 Y26 P134 V137L19-V22 WeakPolarHBondContact O-CB 2.99Å; L19-V22 PolarHBondContact O-N 3.4Å; H20-V22 VanDerWaalsContact C-N 3.32Å; V22-Y26 VanDerWaalsContact O-CB 3.27Å; V22-Y26 WeakPolarHBondContact O-CB 3.49Å; V22-Y26 PolarHBondContact O-N 3.45Å; V22-P134 HydrophobicContact CG1-CB 4.18Å; V22-V137 HydrophobicContact CG1-CB 4.37Å; V22-V137 HydrophobicContact CG1-CG1 4.27Å
23W91.4Very high86Confident7 Ų765.8 Ų65.83%0.02732%0.321CS..Hα-helixtrans-55.9-54.3173.8-81.697.3000111.7L19 H20 F27 F44 I85 L114 T132 V137 V140 L141L19-W23 PolarHBondContact O-N 3.31Å; H20-W23 WeakPolarHBondContact O-CB 3.14Å; H20-W23 PolarHBondContact O-N 3.28Å; W23-F27 WeakPolarHBondContact O-CB 3.3Å; W23-F27 PolarHBondContact O-N 3.31Å; W23-F44 HydrophobicContact CB-CE1 3.97Å; W23-F44 HydrophobicContact CB-CZ 3.98Å; W23-F44 HydrophobicContact CD2-CZ 4.22Å; W23-F44 HydrophobicContact CE3-CE2 4.2Å; W23-F44 AromaticContact CE3-CZ 3.61Å; W23-F44 HydrophobicContact CE3-CZ 3.61Å; W23-F44 HydrophobicContact CG-CZ 4.44Å; W23-F44 HydrophobicContact CZ3-CZ 4.44Å; W23-I85 HydrophobicContact CH2-CD1 3.69Å; W23-I85 HydrophobicContact CH2-CG2 4.22Å; W23-I85 HydrophobicContact CZ2-CD1 3.77Å; W23-L114 HydrophobicContact CZ2-CD2 4.18Å; W23-T132 PolarHBondContact NE1-OG1 3.19Å; W23-V137 HydrophobicContact CB-CG1 4.37Å; W23-V137 HydrophobicContact CD2-CB 4.38Å; W23-V137 HydrophobicContact CD2-CG1 3.45Å; W23-V137 VanDerWaalsContact CD2-CG1 3.45Å; W23-V137 HydrophobicContact CD2-CG2 4.13Å; W23-V137 HydrophobicContact CE3-CG1 3.72Å; W23-V137 HydrophobicContact CG-CG1 3.74Å; W23-V137 HydrophobicContact CG-CG2 4.33Å; W23-V137 HydrophobicContact CH2-CG1 4.43Å; W23-V137 HydrophobicContact CZ2-CB 4.38Å; W23-V137 HydrophobicContact CZ2-CG1 4.2Å; W23-V137 HydrophobicContact CZ2-CG2 3.84Å; W23-V137 HydrophobicContact CZ3-CG1 4.21Å; W23-V137 VanDerWaalsContact NE1-CG2 3.31Å; W23-V140 HydrophobicContact CH2-CG1 4.3Å; W23-L141 HydrophobicContact CE3-CD1 4.01Å; W23-L141 HydrophobicContact CE3-CD2 4.12Å; W23-L141 HydrophobicContact CE3-CG 4.13Å; W23-L141 HydrophobicContact CZ3-CD1 4.35Å; W23-L141 HydrophobicContact CZ3-CD2 3.85Å; W23-L141 HydrophobicContact CZ3-CG 3.97Å
24L92.2Very high86.7Confident43 Ų4365.7 Ų65.723%0.22532%0.322CS..Hα-helixtrans-64.2-47-177.2-73.4165.7000112.6H20 I21 F27 Y28 F44 Y337H20-L24 WeakPolarHBondContact O-CB 3.32Å; H20-L24 WeakPolarHBondContact O-CG 3.4Å; H20-L24 PolarHBondContact O-N 2.85Å; I21-L24 PolarHBondContact O-N 3.17Å; L24-F27 PolarHBondContact O-N 2.67Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 PolarHBondContact O-N 3.23Å; L24-F44 HydrophobicContact CD2-CD1 3.62Å; L24-F44 HydrophobicContact CD2-CE1 4.11Å; L24-F44 HydrophobicContact CG-CD1 4.43Å; L24-F44 HydrophobicContact CG-CE1 4.46Å; L24-Y337 HydrophobicContact CD1-CD1 4.28Å; L24-Y337 HydrophobicContact CD1-CE1 3.85Å; L24-Y337 HydrophobicContact CD1-CE2 4.29Å; L24-Y337 HydrophobicContact CD2-CD1 4.16Å; L24-Y337 HydrophobicContact CD2-CD2 3.93Å; L24-Y337 HydrophobicContact CD2-CE1 4.47Å; L24-Y337 HydrophobicContact CD2-CE2 4.26Å; L24-Y337 HydrophobicContact CD2-CG 3.87Å
25G92.7Very high87.4Confident41 Ų4162 Ų6242%0.42330%0.304SS..Hα-helixtrans-63.9-47.6-177.600000111.9I21 Y28 E29I21-G25 PolarHBondContact O-N 2.84Å; G25-Y28 PolarHBondContact O-N 3.25Å; G25-E29 PolarHBondContact O-N 2.77Å; G25-E29 VanDerWaalsContact O-N 3.11Å
26Y94.3Very high88.2Confident61 Ų6160.5 Ų60.524%0.23930%0.3CS..Hα-helixtrans-70.9-35179.7-160.1-109000112.1V22 E29 L30 I138 L141 T142V22-Y26 VanDerWaalsContact O-CB 3.27Å; V22-Y26 WeakPolarHBondContact O-CB 3.49Å; V22-Y26 PolarHBondContact O-N 3.45Å; Y26-E29 PolarHBondContact O-N 3.3Å; Y26-L30 HydrophobicContact CD1-CD2 4.44Å; Y26-L30 HydrophobicContact CE1-CD2 3.93Å; Y26-L30 WeakPolarHBondContact O-CB 3.33Å; Y26-L30 PolarHBondContact O-N 2.73Å; Y26-I138 HydrophobicContact CD1-CB 4.41Å; Y26-I138 HydrophobicContact CD1-CG1 4.11Å; Y26-I138 HydrophobicContact CD2-CG1 4.16Å; Y26-I138 HydrophobicContact CE1-CB 4.09Å; Y26-I138 HydrophobicContact CE1-CG1 4.14Å; Y26-I138 HydrophobicContact CE1-CG2 3.82Å; Y26-I138 HydrophobicContact CE2-CG1 4.21Å; Y26-I138 HydrophobicContact CE2-CG2 4.32Å; Y26-I138 HydrophobicContact CG-CG1 4.12Å; Y26-L141 HydrophobicContact CD1-CB 3.87Å; Y26-L141 HydrophobicContact CD1-CD1 3.78Å; Y26-L141 HydrophobicContact CD1-CG 4.46Å; Y26-L141 HydrophobicContact CE1-CB 4.15Å; Y26-L141 HydrophobicContact CG-CD1 4.46Å; Y26-T142 PolarHBondContact OH-OG1 3.2Å
27F95.5Very high88.8Confident6 Ų664 Ų643%0.02632%0.32CS..Hα-helixtrans-61.6-45.2172.1-176.8-90.1000111.7W23 L24 E29 L30 Y31 V32 W42 F44 F110 L141W23-F27 WeakPolarHBondContact O-CB 3.3Å; W23-F27 PolarHBondContact O-N 3.31Å; L24-F27 PolarHBondContact O-N 2.67Å; F27-E29 PolarHBondContact O-N 2.77Å; F27-L30 PolarHBondContact O-N 2.82Å; F27-Y31 AromaticContact CD2-CD2 3.46Å; F27-Y31 HydrophobicContact CD2-CD2 3.46Å; F27-Y31 VanDerWaalsContact CD2-CD2 3.46Å; F27-Y31 AromaticContact CD2-CE2 3.85Å; F27-Y31 HydrophobicContact CD2-CE2 3.85Å; F27-Y31 HydrophobicContact CD2-CG 4.04Å; F27-Y31 HydrophobicContact CE2-CD1 4.18Å; F27-Y31 AromaticContact CE2-CD2 3.56Å; F27-Y31 HydrophobicContact CE2-CD2 3.56Å; F27-Y31 AromaticContact CE2-CE2 3.99Å; F27-Y31 HydrophobicContact CE2-CE2 3.99Å; F27-Y31 AromaticContact CE2-CG 3.68Å; F27-Y31 HydrophobicContact CE2-CG 3.68Å; F27-Y31 HydrophobicContact CG-CD2 4.07Å; F27-Y31 HydrophobicContact CZ-CD2 4.25Å; F27-Y31 AromaticContact CZ-CG 3.98Å; F27-Y31 HydrophobicContact CZ-CG 3.98Å; F27-Y31 WeakPolarHBondContact O-CB 3.22Å; F27-Y31 WeakPolarHBondContact O-CD2 2.97Å; F27-Y31 PolarHBondContact O-N 3.07Å; F27-V32 HydrophobicContact CD1-CG2 4.1Å; F27-V32 HydrophobicContact CE1-CG2 3.88Å; F27-W42 HydrophobicContact CE1-CB 3.69Å; F27-W42 HydrophobicContact CE1-CG 4.24Å; F27-W42 HydrophobicContact CZ-CB 3.72Å; F27-W42 HydrophobicContact CZ-CD2 4Å; F27-W42 HydrophobicContact CZ-CE3 4.06Å; F27-W42 AromaticContact CZ-CG 3.92Å; F27-W42 HydrophobicContact CZ-CG 3.92Å; F27-F44 HydrophobicContact CB-CD2 4.35Å; F27-F44 HydrophobicContact CB-CG 4.44Å; F27-F44 HydrophobicContact CD1-CB 3.67Å; F27-F44 HydrophobicContact CD1-CD2 4.1Å; F27-F44 AromaticContact CD1-CG 3.91Å; F27-F44 HydrophobicContact CD1-CG 3.91Å; F27-F44 HydrophobicContact CD2-CB 4.47Å; F27-F44 AromaticContact CD2-CD2 3.4Å; F27-F44 HydrophobicContact CD2-CD2 3.4Å; F27-F44 VanDerWaalsContact CD2-CD2 3.4Å; F27-F44 AromaticContact CD2-CE2 3.84Å; F27-F44 HydrophobicContact CD2-CE2 3.84Å; F27-F44 HydrophobicContact CD2-CG 4.07Å; F27-F44 HydrophobicContact CE1-CB 3.58Å; F27-F44 HydrophobicContact CE1-CD2 4.29Å; F27-F44 HydrophobicContact CE1-CG 4.19Å; F27-F44 HydrophobicContact CE2-CB 4.39Å; F27-F44 AromaticContact CE2-CD2 3.63Å; F27-F44 HydrophobicContact CE2-CD2 3.63Å; F27-F44 HydrophobicContact CE2-CE2 4.36Å; F27-F44 HydrophobicContact CE2-CG 4.34Å; F27-F44 HydrophobicContact CG-CB 4.13Å; F27-F44 AromaticContact CG-CD2 3.66Å; F27-F44 HydrophobicContact CG-CD2 3.66Å; F27-F44 HydrophobicContact CG-CE2 4.2Å; F27-F44 AromaticContact CG-CG 3.85Å; F27-F44 HydrophobicContact CG-CG 3.85Å; F27-F44 HydrophobicContact CZ-CB 3.96Å; F27-F44 HydrophobicContact CZ-CD2 4.07Å; F27-F44 HydrophobicContact CZ-CG 4.39Å; F27-F110 HydrophobicContact CD2-CD2 4.41Å; F27-F110 HydrophobicContact CD2-CG 4.31Å; F27-F110 HydrophobicContact CE2-CB 3.58Å; F27-F110 HydrophobicContact CE2-CD1 4.15Å; F27-F110 AromaticContact CE2-CD2 3.59Å; F27-F110 HydrophobicContact CE2-CD2 3.59Å; F27-F110 HydrophobicContact CE2-CE2 4.25Å; F27-F110 AromaticContact CE2-CG 3.51Å; F27-F110 HydrophobicContact CE2-CG 3.51Å; F27-F110 HydrophobicContact CZ-CB 3.77Å; F27-F110 HydrophobicContact CZ-CD2 4.47Å; F27-F110 HydrophobicContact CZ-CG 4.23Å; F27-L141 HydrophobicContact CB-CD1 4.27Å; F27-L141 HydrophobicContact CD2-CD2 4.14Å
28Y94.6Very high89.4Confident130 Ų13060.9 Ų60.951%0.5130%0.303SS..Iπ-helixtrans-60.6-44.3178.9-177.4-97.3000112.3L24 G25 V32 Q33L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 PolarHBondContact O-N 3.23Å; G25-Y28 PolarHBondContact O-N 3.25Å; Y28-V32 HydrophobicContact CD2-CB 3.62Å; Y28-V32 HydrophobicContact CD2-CG1 3.71Å; Y28-V32 HydrophobicContact CD2-CG2 3.95Å; Y28-V32 HydrophobicContact CE2-CB 3.97Å; Y28-V32 HydrophobicContact CE2-CG1 3.56Å; Y28-V32 HydrophobicContact CG-CB 4.24Å; Y28-V32 PolarHBondContact O-N 3.42Å; Y28-Q33 HydrophobicContact CD1-CG 3.91Å; Y28-Q33 HydrophobicContact CE1-CG 3.5Å; Y28-Q33 PolarHBondContact O-N 3.07Å
29E93.5Very high89.6Confident123 Ų12355.3 Ų55.358%0.57529%0.286SS*.Iπ-helixtrans-65.2-43.6177.5-172.9179.616600112.2G25 Y26 F27 P34G25-E29 PolarHBondContact O-N 2.77Å; G25-E29 VanDerWaalsContact O-N 3.11Å; Y26-E29 PolarHBondContact O-N 3.3Å; F27-E29 PolarHBondContact O-N 2.77Å; E29-P34 VanDerWaalsContact O-CD 3.31Å; E29-P34 WeakPolarHBondContact O-CD 3.43Å
30L93.6Very high89.9Confident35 Ų3554.7 Ų54.718%0.18328%0.283CS..Iπ-helixtrans-83.4-28.6-171.7-170.563000114.2Y26 F27 P34 L141 R145Y26-L30 HydrophobicContact CD1-CD2 4.44Å; Y26-L30 HydrophobicContact CE1-CD2 3.93Å; Y26-L30 WeakPolarHBondContact O-CB 3.33Å; Y26-L30 PolarHBondContact O-N 2.73Å; F27-L30 PolarHBondContact O-N 2.82Å; L30-P34 VanDerWaalsContact O-CG 3.28Å; L30-P34 WeakPolarHBondContact O-CG 3.16Å; L30-L141 HydrophobicContact CD2-CB 4.06Å; L30-L141 WeakPolarHBondContact CD2-O 3.31Å; L30-R145 HydrophobicContact CD1-CB 4.27Å; L30-R145 HydrophobicContact CD1-CG 3.9Å; L30-R145 HydrophobicContact CD2-CB 3.76Å; L30-R145 HydrophobicContact CD2-CG 4.28Å; L30-R145 HydrophobicContact CG-CB 3.94Å; L30-R145 HydrophobicContact CG-CG 3.9Å
31Y93.7Very high90.2Very high0 Ų054.5 Ų54.50%028%0.283CS..Iπ-helixtrans-117.6-60.1-173.9-65.7-94.7000111.8F27 P34 D35 W42 F110 L141 V144 R145 I148F27-Y31 AromaticContact CD2-CD2 3.46Å; F27-Y31 HydrophobicContact CD2-CD2 3.46Å; F27-Y31 VanDerWaalsContact CD2-CD2 3.46Å; F27-Y31 AromaticContact CD2-CE2 3.85Å; F27-Y31 HydrophobicContact CD2-CE2 3.85Å; F27-Y31 HydrophobicContact CD2-CG 4.04Å; F27-Y31 HydrophobicContact CE2-CD1 4.18Å; F27-Y31 AromaticContact CE2-CD2 3.56Å; F27-Y31 HydrophobicContact CE2-CD2 3.56Å; F27-Y31 AromaticContact CE2-CE2 3.99Å; F27-Y31 HydrophobicContact CE2-CE2 3.99Å; F27-Y31 AromaticContact CE2-CG 3.68Å; F27-Y31 HydrophobicContact CE2-CG 3.68Å; F27-Y31 HydrophobicContact CG-CD2 4.07Å; F27-Y31 HydrophobicContact CZ-CD2 4.25Å; F27-Y31 AromaticContact CZ-CG 3.98Å; F27-Y31 HydrophobicContact CZ-CG 3.98Å; F27-Y31 WeakPolarHBondContact O-CB 3.22Å; F27-Y31 WeakPolarHBondContact O-CD2 2.97Å; F27-Y31 PolarHBondContact O-N 3.07Å; Y31-P34 WeakPolarHBondContact O-CD 3.23Å; Y31-P34 WeakPolarHBondContact O-CG 3.27Å; Y31-D35 WeakPolarHBondContact O-CB 3.36Å; Y31-D35 PolarHBondContact O-N 3.33Å; Y31-W42 HydrophobicContact CD1-CD2 4.45Å; Y31-W42 AromaticContact CD1-CE2 3.76Å; Y31-W42 HydrophobicContact CD1-CH2 4.23Å; Y31-W42 AromaticContact CD1-CZ2 3.61Å; Y31-W42 HydrophobicContact CD1-CZ2 3.61Å; Y31-W42 HydrophobicContact CE1-CH2 4.45Å; Y31-W42 HydrophobicContact CE1-CZ2 4.17Å; Y31-F110 HydrophobicContact CE1-CD2 4.41Å; Y31-F110 HydrophobicContact CE1-CE2 4.4Å; Y31-F110 AromaticContact CZ-CE2 3.99Å; Y31-L141 HydrophobicContact CE2-CB 4.41Å; Y31-L141 HydrophobicContact CE2-CD2 4.24Å; Y31-L141 PolarHBondContact OH-O 3.3Å; Y31-V144 WeakPolarHBondContact OH-CB 3.16Å; Y31-R145 HydrophobicContact CE1-CB 4.34Å; Y31-R145 PolarHBondContact OH-N 2.93Å; Y31-I148 HydrophobicContact CE1-CD1 3.72Å
32V91.4Very high90.4Very high33 Ų3350.5 Ų50.520%0.226%0.262CS..Iπ-helixtrans-64.6-53-168.6-178.30000111.8F27 Y28 D35 T36 W42F27-V32 HydrophobicContact CD1-CG2 4.1Å; F27-V32 HydrophobicContact CE1-CG2 3.88Å; Y28-V32 HydrophobicContact CD2-CB 3.62Å; Y28-V32 HydrophobicContact CD2-CG1 3.71Å; Y28-V32 HydrophobicContact CD2-CG2 3.95Å; Y28-V32 HydrophobicContact CE2-CB 3.97Å; Y28-V32 HydrophobicContact CE2-CG1 3.56Å; Y28-V32 HydrophobicContact CG-CB 4.24Å; Y28-V32 PolarHBondContact O-N 3.42Å; V32-D35 PolarHBondContact O-N 3.19Å; V32-T36 WeakPolarHBondContact O-CB 3.23Å; V32-T36 PolarHBondContact O-N 3.43Å; V32-T36 PolarHBondContact O-OG1 2.77Å; V32-W42 HydrophobicContact CG2-CB 4.24Å
33Q88.1Confident90.5Very high109 Ų10949.4 Ų49.451%0.50925%0.254SS..Hα-helixtrans-57.3-54-179-70.7-173.22200113.6Y28Y28-Q33 HydrophobicContact CD1-CG 3.91Å; Y28-Q33 HydrophobicContact CE1-CG 3.5Å; Y28-Q33 PolarHBondContact O-N 3.07Å
34P88.7Confident90.5Very high42 Ų4249.5 Ų49.527%0.27326%0.255SS..Hα-helixtrans-69-36.8-178.825-33.7000112.6E29 L30 Y31E29-P34 VanDerWaalsContact O-CD 3.31Å; E29-P34 WeakPolarHBondContact O-CD 3.43Å; L30-P34 VanDerWaalsContact O-CG 3.28Å; L30-P34 WeakPolarHBondContact O-CG 3.16Å; Y31-P34 WeakPolarHBondContact O-CD 3.23Å; Y31-P34 WeakPolarHBondContact O-CG 3.27Å
35D89.9Confident90.3Very high0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-82.9-20.4-169.5-59.1-10.4000112.9Y31 V32 L37 Y38 I40 W42 R145 I150Y31-D35 WeakPolarHBondContact O-CB 3.36Å; Y31-D35 PolarHBondContact O-N 3.33Å; V32-D35 PolarHBondContact O-N 3.19Å; D35-L37 PolarHBondContact O-N 3.16Å; D35-Y38 WeakPolarHBondContact O-CA 3.38Å; D35-Y38 PolarHBondContact O-N 3.41Å; D35-I40 HydrophobicContact CB-CB 3.89Å; D35-I40 HydrophobicContact CB-CG2 3.84Å; D35-I40 PolarHBondContact O-N 2.9Å; D35-W42 PolarHBondContact OD2-NE1 3.38Å; D35-R145 VanDerWaalsContact CG-NH1 3.31Å; D35-R145 IonicContact OD1-CZ 2.77Å; D35-R145 VanDerWaalsContact OD1-CZ 3.25Å; D35-R145 IonicContact OD1-NH1 3.89Å; D35-R145 PolarHBondContact OD1-NH1 3.42Å; D35-R145 IonicContact OD1-NH2 2.82Å; D35-R145 PolarHBondContact OD1-NH2 2.63Å; D35-R145 IonicContact OD2-CZ 2.67Å; D35-R145 IonicContact OD2-NH1 3.71Å; D35-R145 PolarHBondContact OD2-NH1 3.43Å; D35-I150 HydrophobicContact CB-CD1 4.31Å; D35-I150 VanDerWaalsContact OD1-CD1 3.23Å; D35-I150 WeakPolarHBondContact OD1-CD1 3.25Å
36T85.6Confident90Very high85 Ų8548.2 Ų48.252%0.52124%0.242SC..Hα-helixtrans-58.2-32.2174.2-62.10000112V32 Y38 G39V32-T36 WeakPolarHBondContact O-CB 3.23Å; V32-T36 PolarHBondContact O-N 3.43Å; V32-T36 PolarHBondContact O-OG1 2.77Å; T36-Y38 PolarHBondContact O-N 2.89Å; T36-G39 PolarHBondContact O-N 2.93Å; T36-G39 VanDerWaalsContact O-N 3.1Å
37L84.8Confident89.6Confident136 Ų13647.2 Ų47.271%0.71224%0.241SC*.THydrogen-bonded Turntrans-62.6-22.7176-65.3175.5000112.9D35D35-L37 PolarHBondContact O-N 3.16Å
38Y84.9Confident88.5Confident68 Ų6852.1 Ų52.127%0.26727%0.267SS..THydrogen-bonded Turntrans-101.711.8179.5-56.2-69.6000112.5D35 T36 I40 I150 Y162D35-Y38 WeakPolarHBondContact O-CA 3.38Å; D35-Y38 PolarHBondContact O-N 3.41Å; T36-Y38 PolarHBondContact O-N 2.89Å; Y38-I40 PolarHBondContact O-N 3.18Å; Y38-I150 HydrophobicContact CD1-CG2 4.37Å; Y38-I150 HydrophobicContact CD2-CD1 3.67Å; Y38-I150 HydrophobicContact CD2-CG2 4.3Å; Y38-I150 HydrophobicContact CE2-CD1 4.1Å; Y38-I150 HydrophobicContact CG-CD1 4.38Å; Y38-I150 HydrophobicContact CG-CG2 4Å; Y38-Y162 AromaticContact CD1-CD1 3.86Å; Y38-Y162 HydrophobicContact CD1-CD1 3.86Å; Y38-Y162 HydrophobicContact CD1-CD2 4.29Å; Y38-Y162 AromaticContact CD1-CE1 3.76Å; Y38-Y162 HydrophobicContact CD1-CE1 3.76Å; Y38-Y162 HydrophobicContact CD1-CE2 4.19Å; Y38-Y162 HydrophobicContact CD1-CG 4.13Å; Y38-Y162 AromaticContact CD1-CZ 3.93Å; Y38-Y162 HydrophobicContact CE1-CE1 4.37Å; Y38-Y162 HydrophobicContact CG-CD1 4.43Å; Y38-Y162 HydrophobicContact CG-CG 4.37Å; Y38-Y162 WeakPolarHBondContact O-CB 3.43Å; Y38-Y162 WeakPolarHBondContact O-CD2 3.15Å
39G85.6Confident86.8Confident13 Ų1352.2 Ų52.213%0.13428%0.276CS..THydrogen-bonded Turntrans65.528-176.100000112.8T36 I105 N106T36-G39 PolarHBondContact O-N 2.93Å; T36-G39 VanDerWaalsContact O-N 3.1Å; G39-I105 CarbonylContact O-C 3.52Å; G39-I105 WeakPolarHBondContact O-CA 3.17Å; G39-N106 PolarHBondContact O-N 3.29Å
40I88.5Confident85.1Confident4 Ų448.6 Ų48.62%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-99.9126.9175.4-71.4164.4000108.4D35 Y38 N106 Y108 I150 I164D35-I40 HydrophobicContact CB-CB 3.89Å; D35-I40 HydrophobicContact CB-CG2 3.84Å; D35-I40 PolarHBondContact O-N 2.9Å; Y38-I40 PolarHBondContact O-N 3.18Å; I40-N106 WeakPolarHBondContact CA-O 3.44Å; I40-Y108 HydrophobicContact CG1-CE2 4.3Å; I40-Y108 HydrophobicContact CG2-CD2 3.9Å; I40-Y108 HydrophobicContact CG2-CE2 4.31Å; I40-I150 HydrophobicContact CD1-CB 4.5Å; I40-I150 HydrophobicContact CD1-CD1 3.89Å; I40-I150 HydrophobicContact CD1-CG1 3.92Å; I40-I150 HydrophobicContact CD1-CG2 3.79Å; I40-I164 HydrophobicContact CD1-CD1 4.45Å; I40-I164 HydrophobicContact CD1-CG1 4.02Å; I40-I164 HydrophobicContact CG2-CD1 4.11Å
41M89.8Confident83.3Confident69 Ų6954.2 Ų54.234%0.3429%0.286SS..EExtended strand (participates in β ladder)trans-109.8134.5174-179.9176.7-72.500109.1I105 N106 I107 Y108M41-I105 HydrophobicContact CB-CG2 3.88Å; M41-I105 HydrophobicContact CE-CG2 4.44Å; M41-N106 PolarHBondContact N-O 3.43Å; M41-I107 HydrophobicContact CB-CG1 4.21Å; M41-I107 CarbonylContact O-C 3.57Å; M41-I107 WeakPolarHBondContact O-CA 3.5Å; M41-I107 HydrophobicContact SD-CD1 4.45Å; M41-I107 HydrophobicContact SD-CG1 4.25Å; M41-Y108 PolarHBondContact O-N 3.27Å
42W91.4Very high81.5Confident6 Ų656.6 Ų56.62%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-113.3129.5-179.4-76.4104.3000111.1F27 Y31 V32 D35 I89 Y108 F110 I148 I164F27-W42 HydrophobicContact CE1-CB 3.69Å; F27-W42 HydrophobicContact CE1-CG 4.24Å; F27-W42 HydrophobicContact CZ-CB 3.72Å; F27-W42 HydrophobicContact CZ-CD2 4Å; F27-W42 HydrophobicContact CZ-CE3 4.06Å; F27-W42 AromaticContact CZ-CG 3.92Å; F27-W42 HydrophobicContact CZ-CG 3.92Å; Y31-W42 HydrophobicContact CD1-CD2 4.45Å; Y31-W42 AromaticContact CD1-CE2 3.76Å; Y31-W42 HydrophobicContact CD1-CH2 4.23Å; Y31-W42 AromaticContact CD1-CZ2 3.61Å; Y31-W42 HydrophobicContact CD1-CZ2 3.61Å; Y31-W42 HydrophobicContact CE1-CH2 4.45Å; Y31-W42 HydrophobicContact CE1-CZ2 4.17Å; V32-W42 HydrophobicContact CG2-CB 4.24Å; D35-W42 PolarHBondContact OD2-NE1 3.38Å; W42-I89 HydrophobicContact CH2-CD1 4.34Å; W42-I89 HydrophobicContact CH2-CG2 4.17Å; W42-I89 HydrophobicContact CZ3-CG2 3.98Å; W42-Y108 CarbonylContact C-O 3.52Å; W42-Y108 WeakPolarHBondContact CA-O 3.33Å; W42-F110 HydrophobicContact CE3-CB 4.02Å; W42-F110 HydrophobicContact CZ3-CB 4.02Å; W42-F110 HydrophobicContact CZ3-CD2 4.43Å; W42-I148 HydrophobicContact CH2-CD1 4.09Å; W42-I148 HydrophobicContact CZ2-CD1 4.32Å; W42-I164 HydrophobicContact CH2-CD1 3.43Å; W42-I164 VanDerWaalsContact CH2-CD1 3.43Å; W42-I164 HydrophobicContact CZ2-CD1 3.08Å; W42-I164 HydrophobicContact CZ2-CG1 4.37Å; W42-I164 HydrophobicContact CZ3-CD1 4.4Å
43I89.7Confident80.1Confident26 Ų2655.3 Ų55.313%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-100.4119.3166.3-61.5174000107I107 Y108 E109 F110I43-I107 HydrophobicContact CD1-CG2 3.67Å; I43-I107 HydrophobicContact CG1-CG2 4.01Å; I43-Y108 PolarHBondContact N-O 3.18Å; I43-E109 HydrophobicContact CB-CG 4.1Å; I43-E109 HydrophobicContact CD1-CG 4.23Å; I43-E109 CarbonylContact O-C 3.59Å; I43-E109 WeakPolarHBondContact O-CA 3.34Å; I43-F110 PolarHBondContact O-N 3.35Å
44F91.5Very high78.8Confident9 Ų954 Ų544%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-109.1121.2178.4179.7-102.5000110.4W23 L24 F27 F110 F112W23-F44 HydrophobicContact CB-CE1 3.97Å; W23-F44 HydrophobicContact CB-CZ 3.98Å; W23-F44 HydrophobicContact CD2-CZ 4.22Å; W23-F44 HydrophobicContact CE3-CE2 4.2Å; W23-F44 AromaticContact CE3-CZ 3.61Å; W23-F44 HydrophobicContact CE3-CZ 3.61Å; W23-F44 HydrophobicContact CG-CZ 4.44Å; W23-F44 HydrophobicContact CZ3-CZ 4.44Å; L24-F44 HydrophobicContact CD2-CD1 3.62Å; L24-F44 HydrophobicContact CD2-CE1 4.11Å; L24-F44 HydrophobicContact CG-CD1 4.43Å; L24-F44 HydrophobicContact CG-CE1 4.46Å; F27-F44 HydrophobicContact CB-CD2 4.35Å; F27-F44 HydrophobicContact CB-CG 4.44Å; F27-F44 HydrophobicContact CD1-CB 3.67Å; F27-F44 HydrophobicContact CD1-CD2 4.1Å; F27-F44 AromaticContact CD1-CG 3.91Å; F27-F44 HydrophobicContact CD1-CG 3.91Å; F27-F44 HydrophobicContact CD2-CB 4.47Å; F27-F44 AromaticContact CD2-CD2 3.4Å; F27-F44 HydrophobicContact CD2-CD2 3.4Å; F27-F44 VanDerWaalsContact CD2-CD2 3.4Å; F27-F44 AromaticContact CD2-CE2 3.84Å; F27-F44 HydrophobicContact CD2-CE2 3.84Å; F27-F44 HydrophobicContact CD2-CG 4.07Å; F27-F44 HydrophobicContact CE1-CB 3.58Å; F27-F44 HydrophobicContact CE1-CD2 4.29Å; F27-F44 HydrophobicContact CE1-CG 4.19Å; F27-F44 HydrophobicContact CE2-CB 4.39Å; F27-F44 AromaticContact CE2-CD2 3.63Å; F27-F44 HydrophobicContact CE2-CD2 3.63Å; F27-F44 HydrophobicContact CE2-CE2 4.36Å; F27-F44 HydrophobicContact CE2-CG 4.34Å; F27-F44 HydrophobicContact CG-CB 4.13Å; F27-F44 AromaticContact CG-CD2 3.66Å; F27-F44 HydrophobicContact CG-CD2 3.66Å; F27-F44 HydrophobicContact CG-CE2 4.2Å; F27-F44 AromaticContact CG-CG 3.85Å; F27-F44 HydrophobicContact CG-CG 3.85Å; F27-F44 HydrophobicContact CZ-CB 3.96Å; F27-F44 HydrophobicContact CZ-CD2 4.07Å; F27-F44 HydrophobicContact CZ-CG 4.39Å; F44-F110 WeakPolarHBondContact CA-O 2.91Å; F44-F110 HydrophobicContact CD2-CB 4.09Å; F44-F110 AromaticContact CD2-CD1 3.52Å; F44-F110 HydrophobicContact CD2-CD1 3.52Å; F44-F110 HydrophobicContact CD2-CE1 4.23Å; F44-F110 HydrophobicContact CD2-CG 4.02Å; F44-F110 AromaticContact CE2-CD1 3.49Å; F44-F110 HydrophobicContact CE2-CD1 3.49Å; F44-F110 VanDerWaalsContact CE2-CD1 3.49Å; F44-F110 AromaticContact CE2-CE1 3.75Å; F44-F110 HydrophobicContact CE2-CE1 3.75Å; F44-F110 HydrophobicContact CE2-CG 4.38Å; F44-F112 HydrophobicContact CD1-CE1 4.37Å; F44-F112 HydrophobicContact CD2-CD1 4.49Å; F44-F112 HydrophobicContact CE1-CD1 4.31Å; F44-F112 AromaticContact CE1-CE1 3.56Å; F44-F112 HydrophobicContact CE1-CE1 3.56Å; F44-F112 HydrophobicContact CE1-CZ 4.28Å; F44-F112 AromaticContact CE2-CD1 3.65Å; F44-F112 HydrophobicContact CE2-CD1 3.65Å; F44-F112 AromaticContact CE2-CE1 3.77Å; F44-F112 HydrophobicContact CE2-CE1 3.77Å; F44-F112 AromaticContact CZ-CD1 3.54Å; F44-F112 HydrophobicContact CZ-CD1 3.54Å; F44-F112 AromaticContact CZ-CE1 3.19Å; F44-F112 HydrophobicContact CZ-CE1 3.19Å; F44-F112 HydrophobicContact CZ-CZ 4.03Å
45S88.1Confident77.8Confident9 Ų956.4 Ų56.46%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-154.4157.517948.10000114.2F110 L111 F112S45-F110 PolarHBondContact N-O 3.46Å; S45-F110 VanDerWaalsContact N-O 3.08Å; S45-L111 WeakPolarHBondContact O-CA 3.44Å; S45-L111 WeakPolarHBondContact O-CD2 3.14Å; S45-L111 WeakPolarHBondContact OG-CD2 3.35Å; S45-F112 VanDerWaalsContact O-CD1 3.24Å; S45-F112 WeakPolarHBondContact O-CD1 3.44Å; S45-F112 WeakPolarHBondContact O-CE1 3.49Å; S45-F112 PolarHBondContact O-N 2.84Å
46P88Confident77.4Confident48 Ų4858.5 Ų58.531%0.31231%0.305SS..EExtended strand (participates in β ladder)trans-65.3147.6165.928.7-34.6000110N48 F112P46-N48 VanDerWaalsContact C-N 3.34Å; P46-N48 PolarHBondContact O-N 2.86Å; P46-F112 CarbonylContact C-O 3.54Å; P46-F112 WeakPolarHBondContact CA-O 3.22Å; P46-F112 HydrophobicContact CB-CE1 4.43Å; P46-F112 HydrophobicContact CB-CE2 4.44Å; P46-F112 HydrophobicContact CB-CZ 4.12Å
47L85.4Confident77.4Confident41 Ų4156.2 Ų56.222%0.21529%0.289CS..  trans-69.890.3174.4-174.171.8000109.5L50 I53 F88 L111 F112L47-L50 HydrophobicContact CD1-CD2 4.04Å; L47-L50 HydrophobicContact CD1-CG 4.44Å; L47-L50 HydrophobicContact CD2-CD2 4.14Å; L47-I53 HydrophobicContact CD1-CD1 4.05Å; L47-F88 HydrophobicContact CD2-CD2 4.18Å; L47-F88 HydrophobicContact CD2-CE2 3.74Å; L47-F88 HydrophobicContact CD2-CZ 4.36Å; L47-L111 HydrophobicContact CD1-CB 4.44Å; L47-F112 PolarHBondContact N-O 2.99Å
48N70.9Confident77.5Confident109 Ų10953.5 Ų53.558%0.58327%0.274SS*.SBendtrans-93.3-31.7178.3-68.3-16.3000112.5P46P46-N48 VanDerWaalsContact C-N 3.34Å; P46-N48 PolarHBondContact O-N 2.86Å
49D59Low77.7Confident131 Ų13152 Ų5270%0.70127%0.268SS*.  trans-155.1127.3175.7-94.4-46.3000110.8Q51D49-Q51 PolarHBondContact O-N 2.88Å
50L58.7Low78Confident48 Ų4853.6 Ų53.625%0.25128%0.278SS..THydrogen-bonded Turntrans-65.6-8.5-173.9-79159.5000114.7L47 I52 I53 K54L47-L50 HydrophobicContact CD1-CD2 4.04Å; L47-L50 HydrophobicContact CD1-CG 4.44Å; L47-L50 HydrophobicContact CD2-CD2 4.14Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.48Å; L50-I53 PolarHBondContact O-N 3.22Å; L50-K54 HydrophobicContact CB-CG 4.47Å; L50-K54 WeakPolarHBondContact O-CG 3.37Å; L50-K54 PolarHBondContact O-N 3.29Å
51Q54.6Low78.1Confident152 Ų15257 Ų5771%0.7129%0.292SS*.THydrogen-bonded Turntrans-62.6-33.3-164.3-68.3-171.18.700113.9D49D49-Q51 PolarHBondContact O-N 2.88Å
52I56.2Low78.3Confident50 Ų5060.3 Ų60.326%0.25631%0.305SS..THydrogen-bonded Turntrans-75.5-37.3-175.5-59.3169.6000111.8L50 E109 R336L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.48Å; I52-E109 VanDerWaalsContact CG2-CD 3.5Å; I52-E109 WeakPolarHBondContact CG2-OE1 3.4Å; I52-E109 WeakPolarHBondContact CG2-OE2 3.42Å; I52-R336 VanDerWaalsContact CD1-CZ 3.47Å; I52-R336 VanDerWaalsContact CD1-NH2 3.32Å
53I61.9Low78.4Confident6 Ų660.6 Ų60.63%0.03131%0.307CS..THydrogen-bonded Turntrans-81-23.7-176.7-45.3174.5000112.9L47 L50 N55 N56 L57 F88 L111L47-I53 HydrophobicContact CD1-CD1 4.05Å; L50-I53 PolarHBondContact O-N 3.22Å; I53-N55 PolarHBondContact O-N 3.02Å; I53-N56 CarbonylContact O-C 3.56Å; I53-N56 PolarHBondContact O-N 3.37Å; I53-L57 HydrophobicContact CG2-CB 3.57Å; I53-L57 HydrophobicContact CG2-CD1 3.27Å; I53-L57 HydrophobicContact CG2-CG 3.95Å; I53-L57 PolarHBondContact O-N 3.09Å; I53-F88 HydrophobicContact CD1-CB 3.5Å; I53-F88 VanDerWaalsContact CD1-CB 3.5Å; I53-F88 HydrophobicContact CD1-CG 4.17Å; I53-L111 HydrophobicContact CD1-CB 3.79Å; I53-L111 HydrophobicContact CD1-CD1 3.07Å; I53-L111 HydrophobicContact CD1-CG 4Å; I53-L111 HydrophobicContact CG1-CD1 3.13Å; I53-L111 HydrophobicContact CG1-CG 4.46Å
54K61.9Low78.5Confident81 Ų8164 Ų6435%0.35233%0.331SS..THydrogen-bonded Turntrans-52.2-35.7-169.7-87.2178.3-175.2-168.30113.8L50 I212L50-K54 HydrophobicContact CB-CG 4.47Å; L50-K54 WeakPolarHBondContact O-CG 3.37Å; L50-K54 PolarHBondContact O-N 3.29Å; K54-I212 HydrophobicContact CD-CD1 4.41Å
55N67.1Low78.5Confident94 Ų9463.9 Ų63.950%0.50333%0.331SS..THydrogen-bonded Turntrans-93.6-14.7-176.4-63.9-4.8000113.5I53 P205I53-N55 PolarHBondContact O-N 3.02Å; N55-P205 HydrophobicContact CB-CB 4.5Å
56N81.2Confident78.6Confident44 Ų4468.6 Ų68.624%0.23535%0.35CS..THydrogen-bonded Turntrans-139.929.5-170.9-59.8-62.1000113.3I53 I58 G90 H91 P93I53-N56 CarbonylContact O-C 3.56Å; I53-N56 PolarHBondContact O-N 3.37Å; N56-I58 PolarHBondContact O-N 3.14Å; N56-G90 CarbonylContact O-C 3.6Å; N56-G90 WeakPolarHBondContact O-CA 2.83Å; N56-H91 WeakPolarHBondContact CB-O 3.12Å; N56-H91 PolarHBondContact O-N 3.38Å; N56-P93 WeakPolarHBondContact ND2-CD 3.02Å; N56-P93 WeakPolarHBondContact ND2-CG 3.29Å
57L85.8Confident78.8Confident36 Ų3666.3 Ų66.319%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-64.6120.3173-17464000109.3I53 W59 F88 F211I53-L57 HydrophobicContact CG2-CB 3.57Å; I53-L57 HydrophobicContact CG2-CD1 3.27Å; I53-L57 HydrophobicContact CG2-CG 3.95Å; I53-L57 PolarHBondContact O-N 3.09Å; L57-W59 WeakPolarHBondContact CD1-O 3.24Å; L57-F88 HydrophobicContact CD1-CB 3.97Å; L57-F88 HydrophobicContact CD1-CD1 4.11Å; L57-F211 HydrophobicContact CD2-CE1 4.27Å; L57-F211 HydrophobicContact CD2-CZ 4.29Å
58I86.9Confident79Confident79 Ų7966.3 Ų66.341%0.40533%0.333SS..EExtended strand (participates in β ladder)trans-99.1-37.1177-62.2177.9000110.4N56 I89 H91 Y108 F166N56-I58 PolarHBondContact O-N 3.14Å; I58-I89 PolarHBondContact N-O 3.35Å; I58-H91 HydrophobicContact CD1-CB 3.39Å; I58-H91 HydrophobicContact CG1-CB 4.24Å; I58-Y108 HydrophobicContact CD1-CD1 4.33Å; I58-Y108 HydrophobicContact CD1-CE1 3.82Å; I58-F166 HydrophobicContact CB-CE2 4.43Å; I58-F166 HydrophobicContact CG2-CD2 3.76Å; I58-F166 HydrophobicContact CG2-CE2 3.8Å
59W90.3Very high80Confident36 Ų3661.1 Ų61.114%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-151.6143.9-174.9-174.688.5000111.6L57 K61 I87 F88 I89 V144 F166L57-W59 WeakPolarHBondContact CD1-O 3.24Å; W59-K61 HydrophobicContact CH2-CB 3.25Å; W59-K61 HydrophobicContact CH2-CD 4.18Å; W59-K61 HydrophobicContact CH2-CG 4.23Å; W59-K61 HydrophobicContact CZ2-CB 3.42Å; W59-K61 VanDerWaalsContact CZ2-CB 3.42Å; W59-K61 HydrophobicContact CZ2-CD 3.71Å; W59-K61 HydrophobicContact CZ2-CG 4.18Å; W59-K61 HydrophobicContact CZ3-CB 3.86Å; W59-I87 HydrophobicContact CE3-CG2 4.4Å; W59-I87 HydrophobicContact CZ3-CB 3.97Å; W59-I87 HydrophobicContact CZ3-CG2 3.74Å; W59-F88 CarbonylContact O-C 3.56Å; W59-F88 WeakPolarHBondContact O-CA 3.35Å; W59-I89 HydrophobicContact CB-CB 4.45Å; W59-I89 HydrophobicContact CE3-CD1 4.1Å; W59-I89 HydrophobicContact CE3-CG1 4.32Å; W59-I89 HydrophobicContact CZ3-CD1 4.48Å; W59-I89 PolarHBondContact N-O 2.94Å; W59-I89 VanDerWaalsContact N-O 3.15Å; W59-I89 PolarHBondContact O-N 3.49Å; W59-V144 HydrophobicContact CH2-CG1 4.17Å; W59-V144 HydrophobicContact CH2-CG2 3.96Å; W59-V144 HydrophobicContact CZ3-CG1 3.88Å; W59-V144 HydrophobicContact CZ3-CG2 4.09Å; W59-F166 HydrophobicContact CB-CD1 3.82Å; W59-F166 HydrophobicContact CB-CD2 3.63Å; W59-F166 HydrophobicContact CB-CE1 3.7Å; W59-F166 HydrophobicContact CB-CE2 3.52Å; W59-F166 HydrophobicContact CB-CG 3.78Å; W59-F166 HydrophobicContact CB-CZ 3.56Å; W59-F166 AromaticContact CD1-CD1 3.44Å; W59-F166 VanDerWaalsContact CD1-CD1 3.44Å; W59-F166 AromaticContact CD1-CG 3.56Å; W59-F166 AromaticContact CD2-CD1 3.74Å; W59-F166 HydrophobicContact CD2-CD1 3.74Å; W59-F166 AromaticContact CD2-CE1 3.6Å; W59-F166 HydrophobicContact CD2-CE1 3.6Å; W59-F166 HydrophobicContact CD2-CG 4.5Å; W59-F166 HydrophobicContact CD2-CZ 4.29Å; W59-F166 AromaticContact CE2-CD1 3.94Å; W59-F166 AromaticContact CE3-CE1 3.94Å; W59-F166 HydrophobicContact CE3-CE1 3.94Å; W59-F166 HydrophobicContact CE3-CZ 4.48Å; W59-F166 HydrophobicContact CG-CB 4.45Å; W59-F166 AromaticContact CG-CD1 3.4Å; W59-F166 HydrophobicContact CG-CD1 3.4Å; W59-F166 VanDerWaalsContact CG-CD1 3.4Å; W59-F166 HydrophobicContact CG-CD2 4.09Å; W59-F166 AromaticContact CG-CE1 3.52Å; W59-F166 HydrophobicContact CG-CE1 3.52Å; W59-F166 HydrophobicContact CG-CE2 4.2Å; W59-F166 AromaticContact CG-CG 3.7Å; W59-F166 HydrophobicContact CG-CG 3.7Å; W59-F166 AromaticContact CG-CZ 3.94Å; W59-F166 HydrophobicContact CG-CZ 3.94Å; W59-F166 AromaticContact NE1-CD1 3.76Å
60S90Very high81.4Confident48 Ų4857.8 Ų57.834%0.33629%0.285SS..EExtended strand (participates in β ladder)trans-145.1149.6169.365.40000111.1I87S60-I87 CarbonylContact C-O 3.54Å; S60-I87 WeakPolarHBondContact CA-O 3.4Å; S60-I87 WeakPolarHBondContact CB-O 3.37Å
61K92.2Very high82.9Confident74 Ų7455.6 Ų55.632%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-155143.4174.2-165.1145.1-174.1173.70112.2W59 I63 I87 Y143W59-K61 HydrophobicContact CH2-CB 3.25Å; W59-K61 HydrophobicContact CH2-CD 4.18Å; W59-K61 HydrophobicContact CH2-CG 4.23Å; W59-K61 HydrophobicContact CZ2-CB 3.42Å; W59-K61 VanDerWaalsContact CZ2-CB 3.42Å; W59-K61 HydrophobicContact CZ2-CD 3.71Å; W59-K61 HydrophobicContact CZ2-CG 4.18Å; W59-K61 HydrophobicContact CZ3-CB 3.86Å; K61-I63 HydrophobicContact CB-CG1 4.5Å; K61-I63 HydrophobicContact CG-CG1 4.23Å; K61-I87 PolarHBondContact N-O 3.5Å; K61-I87 PolarHBondContact O-N 3.49Å; K61-Y143 HydrophobicContact CD-CE1 4.11Å; K61-Y143 VanDerWaalsContact CE-OH 3.24Å; K61-Y143 WeakPolarHBondContact CE-OH 3.46Å; K61-Y143 PolarHBondContact NZ-OH 3.36Å
62K93.2Very high84.5Confident139 Ų13953.6 Ų53.660%0.60428%0.276SS*.EExtended strand (participates in β ladder)trans-92.1118.5168.4-173.4172.3-169.3-179.60108.8S84 N86K62-S84 WeakPolarHBondContact CE-OG 3.44Å; K62-N86 WeakPolarHBondContact CG-OD1 3.49Å
63I93.5Very high86.2Confident12 Ų1260 Ų606%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-112.7118.4-176.8-58.9167.8000108.6K61 A65 S84 I85 I87 V140 Y143 V144K61-I63 HydrophobicContact CB-CG1 4.5Å; K61-I63 HydrophobicContact CG-CG1 4.23Å; I63-A65 PolarHBondContact O-N 3.05Å; I63-S84 CarbonylContact O-C 3.53Å; I63-S84 VanDerWaalsContact O-CA 3.29Å; I63-S84 WeakPolarHBondContact O-CA 3.35Å; I63-I85 PolarHBondContact N-O 3.35Å; I63-I85 PolarHBondContact O-N 3.44Å; I63-I87 HydrophobicContact CD1-CG1 3.89Å; I63-V140 HydrophobicContact CB-CG2 4.48Å; I63-V140 HydrophobicContact CD1-CG1 3.88Å; I63-V140 HydrophobicContact CG2-CG2 3.81Å; I63-Y143 HydrophobicContact CD1-CD1 3.55Å; I63-Y143 HydrophobicContact CD1-CE1 3.95Å; I63-Y143 HydrophobicContact CG1-CD1 4.1Å; I63-Y143 HydrophobicContact CG1-CE1 4.08Å; I63-V144 HydrophobicContact CD1-CG2 3.63Å
64P91.8Very high87.6Confident99 Ų9962 Ų6264%0.64331%0.311SS*.EExtended strand (participates in β ladder)trans-60.9134.2175.5-22.433.2000111.4
65A91.5Very high88.9Confident6 Ų663 Ų635%0.0532%0.321CS..EExtended strand (participates in β ladder)trans-147.7158.2177.500000110.9I63 F67 G83 I85 E136I63-A65 PolarHBondContact O-N 3.05Å; A65-F67 HydrophobicContact CB-CD2 4.39Å; A65-F67 HydrophobicContact CB-CE2 3.77Å; A65-F67 HydrophobicContact CB-CZ 4.41Å; A65-F67 WeakPolarHBondContact O-CD2 3.5Å; A65-G83 PolarHBondContact N-O 2.82Å; A65-G83 CarbonylContact O-C 3.57Å; A65-G83 VanDerWaalsContact O-O 3.09Å; A65-I85 HydrophobicContact CB-CD1 4.03Å; A65-I85 HydrophobicContact CB-CG1 4.06Å; A65-E136 HydrophobicContact CB-CB 4.41Å
66K91.2Very high89.9Confident107 Ų10761 Ų6147%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-83.4131.4172.8-66.8176-177170.80110Y133 E136K66-Y133 HydrophobicContact CB-CD2 4.12Å; K66-Y133 HydrophobicContact CB-CE2 4.25Å; K66-E136 HydrophobicContact CB-CG 4.17Å
67F91Very high90.3Very high0 Ų061.4 Ų61.40%031%0.31CS..EExtended strand (participates in β ladder)trans-119.7148.4-179.5-72.7-98.1000111.7A65 F69 T79 S80 G83 S84 I85 L114 D115 S131 T132A65-F67 HydrophobicContact CB-CD2 4.39Å; A65-F67 HydrophobicContact CB-CE2 3.77Å; A65-F67 HydrophobicContact CB-CZ 4.41Å; A65-F67 WeakPolarHBondContact O-CD2 3.5Å; F67-F69 HydrophobicContact CB-CD2 4.32Å; F67-F69 HydrophobicContact CB-CE2 3.55Å; F67-F69 HydrophobicContact CB-CZ 3.86Å; F67-F69 HydrophobicContact CG-CZ 4.41Å; F67-T79 CarbonylContact O-C 3.51Å; F67-T79 VanDerWaalsContact O-CA 3.23Å; F67-T79 WeakPolarHBondContact O-CA 3.21Å; F67-S80 PolarHBondContact N-O 2.99Å; F67-S80 VanDerWaalsContact N-O 3.1Å; F67-S80 PolarHBondContact O-N 2.89Å; F67-G83 VanDerWaalsContact CE2-C 3.49Å; F67-S84 VanDerWaalsContact CE2-N 3.28Å; F67-S84 WeakPolarHBondContact CZ-O 3.49Å; F67-I85 HydrophobicContact CE1-CG1 4.37Å; F67-I85 HydrophobicContact CE2-CG1 4.21Å; F67-I85 HydrophobicContact CZ-CD1 4.47Å; F67-I85 HydrophobicContact CZ-CG1 3.52Å; F67-L114 HydrophobicContact CE1-CB 3.93Å; F67-L114 HydrophobicContact CE1-CD2 4.06Å; F67-L114 HydrophobicContact CE1-CG 4.43Å; F67-L114 HydrophobicContact CZ-CD2 4.45Å; F67-D115 HydrophobicContact CE1-CB 4.43Å; F67-D115 HydrophobicContact CE2-CB 4.28Å; F67-D115 HydrophobicContact CZ-CB 4.15Å; F67-S131 CarbonylContact C-O 3.54Å; F67-S131 VanDerWaalsContact CA-O 3.27Å; F67-S131 WeakPolarHBondContact CA-O 3.37Å; F67-T132 HydrophobicContact CD1-CG2 3.75Å; F67-T132 HydrophobicContact CE1-CG2 3.36Å; F67-T132 HydrophobicContact CE2-CG2 4.31Å; F67-T132 HydrophobicContact CG-CG2 4.42Å; F67-T132 HydrophobicContact CZ-CG2 3.71Å
68R90.8Very high90.6Very high42 Ų4261.5 Ų61.516%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-115.2130.9165.1-179.6179.6-179.8-175-1.9108.8D12 I77 W78 T79 S131D12-R68 IonicContact OD1-CZ 2.7Å; D12-R68 IonicContact OD1-NH1 3.14Å; D12-R68 PolarHBondContact OD1-NH1 3.2Å; D12-R68 IonicContact OD2-CZ 2.9Å; D12-R68 IonicContact OD2-NH1 3.85Å; D12-R68 PolarHBondContact OD2-NH1 3.02Å; D12-R68 IonicContact OD2-NH2 2.75Å; D12-R68 PolarHBondContact OD2-NH2 3.49Å; R68-I77 HydrophobicContact CG-CG2 4Å; R68-I77 VanDerWaalsContact NE-CG2 3.28Å; R68-W78 WeakPolarHBondContact CA-O 3.35Å; R68-T79 HydrophobicContact CB-CG2 4.39Å; R68-T79 HydrophobicContact CG-CG2 4.43Å; R68-S131 PolarHBondContact N-O 2.93Å; R68-S131 PolarHBondContact O-N 2.95Å; R68-S131 PolarHBondContact O-OG 2.89Å
69F90.3Very high90.8Very high0 Ų061.8 Ų61.80%031%0.313CS..EExtended strand (participates in β ladder)trans-110.8145.5178.2-62-93.4000109.5F67 I77 W78 Q117 I128 G130F67-F69 HydrophobicContact CB-CD2 4.32Å; F67-F69 HydrophobicContact CB-CE2 3.55Å; F67-F69 HydrophobicContact CB-CZ 3.86Å; F67-F69 HydrophobicContact CG-CZ 4.41Å; F69-I77 WeakPolarHBondContact O-CA 3.44Å; F69-W78 HydrophobicContact CB-CD2 3.68Å; F69-W78 HydrophobicContact CB-CE3 3.94Å; F69-W78 HydrophobicContact CB-CG 4.38Å; F69-W78 HydrophobicContact CB-CH2 3.63Å; F69-W78 HydrophobicContact CB-CZ2 3.36Å; F69-W78 HydrophobicContact CB-CZ3 3.91Å; F69-W78 HydrophobicContact CD1-CZ2 4.17Å; F69-W78 AromaticContact CD2-CE2 3.92Å; F69-W78 HydrophobicContact CD2-CZ2 4.35Å; F69-W78 AromaticContact CD2-NE1 3.5Å; F69-W78 HydrophobicContact CG-CD2 4.43Å; F69-W78 AromaticContact CG-CE2 3.7Å; F69-W78 HydrophobicContact CG-CH2 4.41Å; F69-W78 AromaticContact CG-CZ2 3.72Å; F69-W78 HydrophobicContact CG-CZ2 3.72Å; F69-W78 AromaticContact CG-NE1 3.78Å; F69-W78 PolarHBondContact N-O 3.48Å; F69-W78 PolarHBondContact O-N 2.8Å; F69-Q117 HydrophobicContact CD1-CB 4.06Å; F69-Q117 HydrophobicContact CD1-CG 4.48Å; F69-Q117 HydrophobicContact CE1-CB 3.75Å; F69-Q117 HydrophobicContact CE1-CG 3.74Å; F69-Q117 HydrophobicContact CE2-CG 4.1Å; F69-Q117 HydrophobicContact CZ-CB 4.03Å; F69-Q117 VanDerWaalsContact CZ-CD 3.49Å; F69-Q117 HydrophobicContact CZ-CG 3.53Å; F69-I128 HydrophobicContact CB-CG2 4.36Å; F69-I128 HydrophobicContact CD1-CG2 4.22Å; F69-I128 WeakPolarHBondContact CD1-O 3.28Å; F69-I128 WeakPolarHBondContact CE1-O 3.37Å; F69-G130 VanDerWaalsContact CD1-CA 3.48Å; F69-G130 VanDerWaalsContact CE1-N 3.26Å
70H90Very high90.5Very high61 Ų6160.8 Ų60.828%0.28231%0.311SS..EExtended strand (participates in β ladder)trans-133.5114.1175.5178.6-154.3000109.1S72 I77 I128H70-S72 PolarHBondContact O-N 3.46Å; H70-I77 HydrophobicContact CB-CG1 4.33Å; H70-I128 WeakPolarHBondContact O-CG2 3.41Å
71C90.6Very high89.7Confident2 Ų266.8 Ų66.81%0.01433%0.331CS..  trans-81.2109.3175.3-178.10000110.2R73 C74 N75 H76 W78 C119 I128C71-R73 PolarHBondContact O-N 3.14Å; C71-R73 VanDerWaalsContact O-N 3.14Å; C71-C74 PolarHBondContact O-N 2.94Å; C71-N75 WeakPolarHBondContact O-CA 3.16Å; C71-N75 PolarHBondContact O-N 3.1Å; C71-H76 HydrophobicContact CB-CB 4.49Å; C71-H76 PolarHBondContact N-O 3.27Å; C71-W78 HydrophobicContact CB-CH2 4.49Å; C71-W78 HydrophobicContact CB-CZ3 3.98Å; C71-C119 HydrophobicContact CB-CB 3.86Å; C71-C119 VanDerWaalsContact CB-SG 3.54Å; C71-C119 VanDerWaalsContact SG-SG 3.67Å; C71-I128 HydrophobicContact CB-CD1 3.63Å
72S88Confident89.2Confident109 Ų10972.6 Ų72.676%0.76236%0.357SS*.THydrogen-bonded Turntrans-64.1-15.9176.756.40000114.4H70H70-S72 PolarHBondContact O-N 3.46Å
73R90.3Very high88.9Confident186 Ų18666 Ų6670%0.70233%0.329SS*.THydrogen-bonded Turntrans-81.6-42.7-179.3-174.6177.6178.7171.8-1.3113.1C71C71-R73 PolarHBondContact O-N 3.14Å; C71-R73 VanDerWaalsContact O-N 3.14Å
74C91.4Very high88.8Confident47 Ų4765.9 Ų65.932%0.31833%0.329SS..THydrogen-bonded Turntrans-120.34-177.364.10000113.6C71 H76 C122C71-C74 PolarHBondContact O-N 2.94Å; C74-H76 PolarHBondContact O-N 2.98Å; C74-H76 WeakPolarHBondContact SG-CB 3.39Å; C74-C122 HydrophobicContact CB-CB 3.85Å; C74-C122 VanDerWaalsContact SG-SG 3.63Å
75N89Confident88.9Confident103 Ų10361.1 Ų61.155%0.55130%0.298SS*.  trans56.217.3-175.4-57.8-37.7000114.5C71 I77C71-N75 WeakPolarHBondContact O-CA 3.16Å; C71-N75 PolarHBondContact O-N 3.1Å; N75-I77 PolarHBondContact O-N 3.15Å
76H89.8Confident88.9Confident50 Ų5062.5 Ų62.523%0.23130%0.304CS..  trans-69.2130.2173.7-178.1-123000110.1C71 C74 W78 Q121C71-H76 HydrophobicContact CB-CB 4.49Å; C71-H76 PolarHBondContact N-O 3.27Å; C74-H76 PolarHBondContact O-N 2.98Å; C74-H76 WeakPolarHBondContact SG-CB 3.39Å; H76-W78 AromaticContact CE1-CE3 3.85Å; H76-W78 AromaticContact ND1-CE3 3.37Å; H76-W78 AromaticContact ND1-CZ3 3.87Å; H76-Q121 HydrophobicContact CB-CB 3.92Å; H76-Q121 HydrophobicContact CB-CG 4.31Å
77I89.7Confident89Confident53 Ų5357.4 Ų57.427%0.27228%0.282SS..EExtended strand (participates in β ladder)trans-118.7130.3179.3-61.4175.5000107.8Y9 R68 F69 H70 N75Y9-I77 HydrophobicContact CE2-CD1 4.42Å; R68-I77 HydrophobicContact CG-CG2 4Å; R68-I77 VanDerWaalsContact NE-CG2 3.28Å; F69-I77 WeakPolarHBondContact O-CA 3.44Å; H70-I77 HydrophobicContact CB-CG1 4.33Å; N75-I77 PolarHBondContact O-N 3.15Å
78W91.7Very high89Confident39 Ų3957.7 Ų57.715%0.14828%0.283CS..EExtended strand (participates in β ladder)trans-141.8165174.970.2101.1000110.8R68 F69 C71 H76 Q117 C119 I128R68-W78 WeakPolarHBondContact CA-O 3.35Å; F69-W78 HydrophobicContact CB-CD2 3.68Å; F69-W78 HydrophobicContact CB-CE3 3.94Å; F69-W78 HydrophobicContact CB-CG 4.38Å; F69-W78 HydrophobicContact CB-CH2 3.63Å; F69-W78 HydrophobicContact CB-CZ2 3.36Å; F69-W78 HydrophobicContact CB-CZ3 3.91Å; F69-W78 HydrophobicContact CD1-CZ2 4.17Å; F69-W78 AromaticContact CD2-CE2 3.92Å; F69-W78 HydrophobicContact CD2-CZ2 4.35Å; F69-W78 AromaticContact CD2-NE1 3.5Å; F69-W78 HydrophobicContact CG-CD2 4.43Å; F69-W78 AromaticContact CG-CE2 3.7Å; F69-W78 HydrophobicContact CG-CH2 4.41Å; F69-W78 AromaticContact CG-CZ2 3.72Å; F69-W78 HydrophobicContact CG-CZ2 3.72Å; F69-W78 AromaticContact CG-NE1 3.78Å; F69-W78 PolarHBondContact N-O 3.48Å; F69-W78 PolarHBondContact O-N 2.8Å; C71-W78 HydrophobicContact CB-CH2 4.49Å; C71-W78 HydrophobicContact CB-CZ3 3.98Å; H76-W78 AromaticContact CE1-CE3 3.85Å; H76-W78 AromaticContact ND1-CE3 3.37Å; H76-W78 AromaticContact ND1-CZ3 3.87Å; W78-Q117 HydrophobicContact CZ2-CB 4.15Å; W78-C119 HydrophobicContact CH2-CB 3.96Å; W78-C119 HydrophobicContact CZ3-CB 4.24Å; W78-I128 HydrophobicContact CH2-CD1 3.68Å; W78-I128 HydrophobicContact CZ3-CD1 4.38Å
79T90Very high89Confident84 Ų8455.7 Ų55.752%0.51528%0.276SS..EExtended strand (participates in β ladder)trans-116.1143.4176.363.30000110.4F67 R68 Y133F67-T79 CarbonylContact O-C 3.51Å; F67-T79 VanDerWaalsContact O-CA 3.23Å; F67-T79 WeakPolarHBondContact O-CA 3.21Å; R68-T79 HydrophobicContact CB-CG2 4.39Å; R68-T79 HydrophobicContact CG-CG2 4.43Å; T79-Y133 WeakPolarHBondContact CG2-OH 3.41Å
80S83.9Confident88.9Confident15 Ų1555.8 Ų55.811%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-112.1122.2170.6179.40000109.3F67 K82 G83 Q117F67-S80 PolarHBondContact N-O 2.99Å; F67-S80 VanDerWaalsContact N-O 3.1Å; F67-S80 PolarHBondContact O-N 2.89Å; S80-K82 PolarHBondContact O-N 3.12Å; S80-K82 PolarHBondContact OG-N 3.41Å; S80-G83 PolarHBondContact OG-N 3.03Å; S80-Q117 PolarHBondContact OG-NE2 2.98Å
81K74.9Confident88.7Confident174 Ų17455 Ų5576%0.75727%0.273SS*.EExtended strand (participates in β ladder)trans-77.5-6.6170.1-66.6-178.3-178.7173.40112.6
82K80.4Confident88.2Confident196 Ų19657.1 Ų57.185%0.85228%0.283SS*.EExtended strand (participates in β ladder)trans-122.818.7-170.5-64.4-174.8178.5177.60114.2S80S80-K82 PolarHBondContact O-N 3.12Å; S80-K82 PolarHBondContact OG-N 3.41Å
83G87.9Confident87.2Confident2 Ų254.7 Ų54.72%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-76.7172176.200000112.6A65 F67 S80 D115A65-G83 PolarHBondContact N-O 2.82Å; A65-G83 CarbonylContact O-C 3.57Å; A65-G83 VanDerWaalsContact O-O 3.09Å; F67-G83 VanDerWaalsContact CE2-C 3.49Å; S80-G83 PolarHBondContact OG-N 3.03Å; G83-D115 WeakPolarHBondContact CA-OD2 3.16Å
84S91.7Very high85.6Confident8 Ų851.8 Ų51.86%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-144.1149177.358.50000112.9K62 I63 F67 D115K62-S84 WeakPolarHBondContact CE-OG 3.44Å; I63-S84 CarbonylContact O-C 3.53Å; I63-S84 VanDerWaalsContact O-CA 3.29Å; I63-S84 WeakPolarHBondContact O-CA 3.35Å; F67-S84 VanDerWaalsContact CE2-N 3.28Å; F67-S84 WeakPolarHBondContact CZ-O 3.49Å; S84-D115 WeakPolarHBondContact O-CB 3.42Å; S84-D115 PolarHBondContact O-N 3.44Å
85I93Very high83.9Confident0 Ų054.8 Ų54.80%028%0.275CS..EExtended strand (participates in β ladder)trans-101.2123.1166.9-53.3175000107.3W23 I63 A65 F67 I87 F112 L114 T132 V140W23-I85 HydrophobicContact CH2-CD1 3.69Å; W23-I85 HydrophobicContact CH2-CG2 4.22Å; W23-I85 HydrophobicContact CZ2-CD1 3.77Å; I63-I85 PolarHBondContact N-O 3.35Å; I63-I85 PolarHBondContact O-N 3.44Å; A65-I85 HydrophobicContact CB-CD1 4.03Å; A65-I85 HydrophobicContact CB-CG1 4.06Å; F67-I85 HydrophobicContact CE1-CG1 4.37Å; F67-I85 HydrophobicContact CE2-CG1 4.21Å; F67-I85 HydrophobicContact CZ-CD1 4.47Å; F67-I85 HydrophobicContact CZ-CG1 3.52Å; I85-I87 HydrophobicContact CG2-CD1 3.5Å; I85-I87 HydrophobicContact CG2-CG1 4.25Å; I85-F112 HydrophobicContact CG2-CB 4.28Å; I85-L114 HydrophobicContact CD1-CD2 4.32Å; I85-L114 HydrophobicContact CG1-CD2 3.98Å; I85-L114 HydrophobicContact CG2-CD2 4.08Å; I85-T132 HydrophobicContact CD1-CG2 3.68Å; I85-T132 HydrophobicContact CG1-CG2 4.1Å; I85-V140 HydrophobicContact CD1-CB 4.24Å; I85-V140 HydrophobicContact CD1-CG1 4.15Å; I85-V140 HydrophobicContact CD1-CG2 3.68Å
86N92Very high82.7Confident34 Ų3456.8 Ų56.818%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-89.7126.4170-48.3-59.7000108.2K62 F88 F112 S113K62-N86 WeakPolarHBondContact CG-OD1 3.49Å; N86-F88 HydrophobicContact CB-CE2 3.63Å; N86-F88 HydrophobicContact CB-CZ 3.91Å; N86-F112 CarbonylContact O-C 3.49Å; N86-F112 VanDerWaalsContact O-CA 3.25Å; N86-F112 WeakPolarHBondContact O-CA 3.27Å; N86-S113 WeakPolarHBondContact CB-OG 3.22Å; N86-S113 PolarHBondContact N-O 3.11Å; N86-S113 PolarHBondContact ND2-OG 3.49Å; N86-S113 PolarHBondContact O-N 3.5Å
87I93.3Very high82Confident0 Ų057.8 Ų57.80%028%0.281CS..EExtended strand (participates in β ladder)trans-111.1138.8176.8-54.5-60.8000108.7W59 S60 K61 I63 I85 I89 F110 L111 F112 V140 V144W59-I87 HydrophobicContact CE3-CG2 4.4Å; W59-I87 HydrophobicContact CZ3-CB 3.97Å; W59-I87 HydrophobicContact CZ3-CG2 3.74Å; S60-I87 CarbonylContact C-O 3.54Å; S60-I87 WeakPolarHBondContact CA-O 3.4Å; S60-I87 WeakPolarHBondContact CB-O 3.37Å; K61-I87 PolarHBondContact N-O 3.5Å; K61-I87 PolarHBondContact O-N 3.49Å; I63-I87 HydrophobicContact CD1-CG1 3.89Å; I85-I87 HydrophobicContact CG2-CD1 3.5Å; I85-I87 HydrophobicContact CG2-CG1 4.25Å; I87-I89 HydrophobicContact CG2-CG1 4.34Å; I87-F110 HydrophobicContact CD1-CE1 3.78Å; I87-F110 HydrophobicContact CD1-CZ 3.91Å; I87-F110 HydrophobicContact CG1-CZ 4.41Å; I87-F110 HydrophobicContact CG2-CD1 4.5Å; I87-F110 HydrophobicContact CG2-CE1 3.87Å; I87-F110 HydrophobicContact CG2-CE2 3.99Å; I87-F110 HydrophobicContact CG2-CZ 3.57Å; I87-L111 CarbonylContact C-O 3.53Å; I87-L111 WeakPolarHBondContact CA-O 3.37Å; I87-F112 HydrophobicContact CD1-CB 3.65Å; I87-V140 HydrophobicContact CD1-CG1 4.18Å; I87-V140 HydrophobicContact CG1-CG1 4.31Å; I87-V144 HydrophobicContact CG1-CG2 4.16Å; I87-V144 HydrophobicContact CG2-CG1 4.47Å; I87-V144 HydrophobicContact CG2-CG2 4.2Å
88F90.7Very high81.3Confident6 Ų659.3 Ų59.33%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-132.5131.6175.6-54.1-91.5000108.1L47 I53 L57 W59 N86 L111 F211 L215L47-F88 HydrophobicContact CD2-CD2 4.18Å; L47-F88 HydrophobicContact CD2-CE2 3.74Å; L47-F88 HydrophobicContact CD2-CZ 4.36Å; I53-F88 HydrophobicContact CD1-CB 3.5Å; I53-F88 VanDerWaalsContact CD1-CB 3.5Å; I53-F88 HydrophobicContact CD1-CG 4.17Å; L57-F88 HydrophobicContact CD1-CB 3.97Å; L57-F88 HydrophobicContact CD1-CD1 4.11Å; W59-F88 CarbonylContact O-C 3.56Å; W59-F88 WeakPolarHBondContact O-CA 3.35Å; N86-F88 HydrophobicContact CB-CE2 3.63Å; N86-F88 HydrophobicContact CB-CZ 3.91Å; F88-L111 HydrophobicContact CB-CB 4.24Å; F88-L111 PolarHBondContact N-O 3.44Å; F88-L111 PolarHBondContact O-N 2.93Å; F88-F211 HydrophobicContact CE1-CE1 4.3Å; F88-F211 HydrophobicContact CE1-CZ 4.03Å; F88-L215 HydrophobicContact CE1-CD1 4.34Å; F88-L215 HydrophobicContact CZ-CD1 4.41Å; F88-L215 HydrophobicContact CZ-CD2 4.29Å
89I91Very high80.5Confident0 Ų060.1 Ų60.10%030%0.297CS..EExtended strand (participates in β ladder)trans-120117.8174.2-63.5174.9000108.3W42 I58 W59 I87 E109 F110 V144 I148 F166W42-I89 HydrophobicContact CH2-CD1 4.34Å; W42-I89 HydrophobicContact CH2-CG2 4.17Å; W42-I89 HydrophobicContact CZ3-CG2 3.98Å; I58-I89 PolarHBondContact N-O 3.35Å; W59-I89 HydrophobicContact CB-CB 4.45Å; W59-I89 HydrophobicContact CE3-CD1 4.1Å; W59-I89 HydrophobicContact CE3-CG1 4.32Å; W59-I89 HydrophobicContact CZ3-CD1 4.48Å; W59-I89 PolarHBondContact N-O 2.94Å; W59-I89 VanDerWaalsContact N-O 3.15Å; W59-I89 PolarHBondContact O-N 3.49Å; I87-I89 HydrophobicContact CG2-CG1 4.34Å; I89-E109 VanDerWaalsContact CA-O 3.28Å; I89-E109 WeakPolarHBondContact CA-O 3.21Å; I89-F110 HydrophobicContact CD1-CD2 3.83Å; I89-F110 HydrophobicContact CD1-CE2 4.1Å; I89-F110 HydrophobicContact CG1-CD2 4.04Å; I89-V144 HydrophobicContact CD1-CG1 3.64Å; I89-I148 HydrophobicContact CD1-CD1 3.93Å; I89-F166 HydrophobicContact CB-CE2 4.38Å; I89-F166 HydrophobicContact CB-CZ 3.79Å; I89-F166 HydrophobicContact CD1-CE1 3.73Å; I89-F166 HydrophobicContact CD1-CZ 3.43Å; I89-F166 VanDerWaalsContact CD1-CZ 3.43Å; I89-F166 HydrophobicContact CG1-CZ 4.15Å; I89-F166 HydrophobicContact CG2-CE2 4.11Å; I89-F166 HydrophobicContact CG2-CZ 3.77Å
90G87.4Confident79.9Confident2 Ų265.1 Ų65.12%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-111.615917600000111.3N56 Y108 E109N56-G90 CarbonylContact O-C 3.6Å; N56-G90 WeakPolarHBondContact O-CA 2.83Å; G90-Y108 CarbonylContact O-C 3.49Å; G90-Y108 WeakPolarHBondContact O-CA 3.4Å; G90-E109 PolarHBondContact N-O 3.31Å; G90-E109 PolarHBondContact O-N 2.9Å
91H85.4Confident79.5Confident45 Ų4566.4 Ų66.421%0.20832%0.323CS..EExtended strand (participates in β ladder)trans-105.4141.7166.5174.4-121.5000109.6N56 I58 P93 I107 Y108N56-H91 WeakPolarHBondContact CB-O 3.12Å; N56-H91 PolarHBondContact O-N 3.38Å; I58-H91 HydrophobicContact CD1-CB 3.39Å; I58-H91 HydrophobicContact CG1-CB 4.24Å; H91-P93 WeakPolarHBondContact O-CD 3.45Å; H91-I107 PolarHBondContact CD2-O 3Å; H91-I107 VanDerWaalsContact CD2-O 3.23Å; H91-Y108 HydrophobicContact CB-CD1 4.07Å; H91-Y108 HydrophobicContact CB-CE1 3.95Å; H91-Y108 AromaticContact CD2-CE1 3.81Å; H91-Y108 AromaticContact CD2-CZ 3.84Å
92H80.1Confident79.3Confident46 Ų4659.8 Ų59.821%0.21330%0.304CS..  trans-107.484.3179.7-165.9-73.5000109.3L94 I107 E109H92-L94 PolarHBondContact O-N 3.22Å; H92-I107 HydrophobicContact CB-CB 4.09Å; H92-I107 HydrophobicContact CB-CG2 4.01Å; H92-I107 PolarHBondContact N-O 2.99Å; H92-E109 IonicContact CD2-OE1 2.93Å
93P67.3Low79Confident58 Ų5853.2 Ų53.238%0.37727%0.274SS..THydrogen-bonded Turntrans-70.3-5.2-172.730.1-37.5000113.9N56 H91 N95N56-P93 WeakPolarHBondContact ND2-CD 3.02Å; N56-P93 WeakPolarHBondContact ND2-CG 3.29Å; H91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-N95 VanDerWaalsContact C-N 3.32Å; P93-N95 PolarHBondContact O-N 2.82Å
94L56.8Low78.6Confident126 Ų12653.2 Ų53.266%0.6627%0.274SS*.THydrogen-bonded Turntrans-81.23.1-160.7-71.5171.8000116.4H92H92-L94 PolarHBondContact O-N 3.22Å
95N56.2Low78.2Confident109 Ų10954.3 Ų54.358%0.58328%0.278SS*.  trans-150.1104.5166.9-77.7-46.1000107.7P93 I97P93-N95 VanDerWaalsContact C-N 3.32Å; P93-N95 PolarHBondContact O-N 2.82Å; N95-I97 HydrophobicContact CB-CG1 4.01Å; N95-I97 PolarHBondContact O-N 2.83Å
96R64.2Low77.8Confident145 Ų14555 Ų5555%0.54728%0.282SS..  trans-65.490.4163.8-77.3-173.2-177.8-177.61.8107.2I98R96-I98 PolarHBondContact O-N 2.85Å
97I74.9Confident77.6Confident71 Ų7154.1 Ų54.136%0.36428%0.278SS..EExtended strand (participates in β ladder)trans-80118.1172.1-56179.4000105.6N95 I105 I107N95-I97 HydrophobicContact CB-CG1 4.01Å; N95-I97 PolarHBondContact O-N 2.83Å; I97-I105 HydrophobicContact CB-CB 4.14Å; I97-I105 HydrophobicContact CB-CD1 4.46Å; I97-I105 HydrophobicContact CG2-CB 4.49Å; I97-I105 HydrophobicContact CG2-CD1 3.88Å; I97-I105 WeakPolarHBondContact O-CB 3.46Å; I97-I105 PolarHBondContact O-N 2.83Å; I97-I107 HydrophobicContact CD1-CD1 3.87Å
98I75.1Confident77.5Confident85 Ų8554.4 Ų54.444%0.43628%0.278SS..EExtended strand (participates in β ladder)trans-99.9125.1173.7-59.8176.7000106.6R96 Y103 I104R96-I98 PolarHBondContact O-N 2.85Å; I98-Y103 WeakPolarHBondContact CA-O 3.43Å; I98-I104 HydrophobicContact CG1-CG1 4.43Å
99N75Confident77.4Confident57 Ų5754.4 Ų54.431%0.30528%0.279SS..PPolyproline II helixtrans-71.8170.8175.775.69.7000110.9S101 G102 Y103 I105N99-S101 PolarHBondContact O-N 2.78Å; N99-S101 WeakPolarHBondContact OD1-CA 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.48Å; N99-S101 PolarHBondContact OD1-N 2.83Å; N99-G102 PolarHBondContact O-N 3.08Å; N99-G102 PolarHBondContact OD1-N 2.79Å; N99-G102 VanDerWaalsContact OD1-N 3.12Å; N99-Y103 PolarHBondContact N-O 3.46Å; N99-Y103 PolarHBondContact OD1-N 3.33Å; N99-I105 HydrophobicContact CB-CD1 4.04Å; N99-I105 HydrophobicContact CB-CG1 4.35Å
100Q77.4Confident77.5Confident188 Ų18854.4 Ų54.488%0.87928%0.279SS*.THydrogen-bonded Turntrans-58.2-20.7-179.3-66.3177.6-1200113.8
101S74Confident77.7Confident43 Ų4354.9 Ų54.930%0.30128%0.281SS..THydrogen-bonded Turntrans-93.74.5179.7-54.40000113.4N99N99-S101 PolarHBondContact O-N 2.78Å; N99-S101 WeakPolarHBondContact OD1-CA 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.48Å; N99-S101 PolarHBondContact OD1-N 2.83Å
102G71.6Confident78Confident34 Ų3453.8 Ų53.835%0.35128%0.275SS..SBendtrans86.44.9177.500000115.5N99N99-G102 PolarHBondContact O-N 3.08Å; N99-G102 PolarHBondContact OD1-N 2.79Å; N99-G102 VanDerWaalsContact OD1-N 3.12Å
103Y73.6Confident78.4Confident58 Ų5852.9 Ų52.923%0.22727%0.274CS..PPolyproline II helixtrans-84140.1178.7-61.8-109.1000110.7I98 N99 I105 Y160I98-Y103 WeakPolarHBondContact CA-O 3.43Å; N99-Y103 PolarHBondContact N-O 3.46Å; N99-Y103 PolarHBondContact OD1-N 3.33Å; Y103-I105 PolarHBondContact O-N 2.95Å; Y103-Y160 HydrophobicContact CD1-CD2 4.2Å; Y103-Y160 HydrophobicContact CD1-CE1 4.44Å; Y103-Y160 AromaticContact CD1-CE2 3.75Å; Y103-Y160 HydrophobicContact CD1-CE2 3.75Å; Y103-Y160 AromaticContact CD1-CZ 3.89Å; Y103-Y160 HydrophobicContact CE1-CD2 4.09Å; Y103-Y160 AromaticContact CE1-CE1 3.98Å; Y103-Y160 HydrophobicContact CE1-CE1 3.98Å; Y103-Y160 AromaticContact CE1-CE2 3.19Å; Y103-Y160 HydrophobicContact CE1-CE2 3.19Å; Y103-Y160 AromaticContact CE1-CZ 3.13Å; Y103-Y160 WeakPolarHBondContact CE1-OH 3.22Å; Y103-Y160 AromaticContact CZ-CZ 3.57Å; Y103-Y160 PolarHBondContact OH-OH 2.89Å
104I79.1Confident79.6Confident2 Ų251.7 Ų51.71%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-75.7124.8173.1-66.1161.5000108.7I98 F155I98-I104 HydrophobicContact CG1-CG1 4.43Å; I104-F155 HydrophobicContact CD1-CB 4.47Å; I104-F155 HydrophobicContact CD1-CD1 4.32Å; I104-F155 HydrophobicContact CD1-CD2 3.27Å; I104-F155 HydrophobicContact CD1-CE1 4.39Å; I104-F155 HydrophobicContact CD1-CE2 3.36Å; I104-F155 HydrophobicContact CD1-CG 3.77Å; I104-F155 HydrophobicContact CD1-CZ 3.94Å
105I84Confident81.2Confident31 Ų3147.8 Ų47.816%0.15924%0.244CC..EExtended strand (participates in β ladder)trans-86.5116.2169.4-61173.6000108.1G39 M41 I97 N99 Y103 I107G39-I105 CarbonylContact O-C 3.52Å; G39-I105 WeakPolarHBondContact O-CA 3.17Å; M41-I105 HydrophobicContact CB-CG2 3.88Å; M41-I105 HydrophobicContact CE-CG2 4.44Å; I97-I105 HydrophobicContact CB-CB 4.14Å; I97-I105 HydrophobicContact CB-CD1 4.46Å; I97-I105 HydrophobicContact CG2-CB 4.49Å; I97-I105 HydrophobicContact CG2-CD1 3.88Å; I97-I105 WeakPolarHBondContact O-CB 3.46Å; I97-I105 PolarHBondContact O-N 2.83Å; N99-I105 HydrophobicContact CB-CD1 4.04Å; N99-I105 HydrophobicContact CB-CG1 4.35Å; Y103-I105 PolarHBondContact O-N 2.95Å; I105-I107 HydrophobicContact CG2-CG1 4.49Å
106N85.5Confident82.8Confident15 Ų1547.2 Ų47.28%0.0824%0.238CC..EExtended strand (participates in β ladder)trans-94.6126.3174.2-69.9-50.6000109.7G39 I40 M41 Y108 Y162G39-N106 PolarHBondContact O-N 3.29Å; I40-N106 WeakPolarHBondContact CA-O 3.44Å; M41-N106 PolarHBondContact N-O 3.43Å; N106-Y108 HydrophobicContact CB-CD2 4.38Å; N106-Y108 HydrophobicContact CB-CE2 3.67Å; N106-Y162 PolarHBondContact ND2-O 3.03Å
107I87.6Confident84.1Confident16 Ų1642.7 Ų42.78%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-100.4125-178.2-55.2173.5000108.5M41 I43 H91 H92 I97 I105M41-I107 HydrophobicContact CB-CG1 4.21Å; M41-I107 CarbonylContact O-C 3.57Å; M41-I107 WeakPolarHBondContact O-CA 3.5Å; M41-I107 HydrophobicContact SD-CD1 4.45Å; M41-I107 HydrophobicContact SD-CG1 4.25Å; I43-I107 HydrophobicContact CD1-CG2 3.67Å; I43-I107 HydrophobicContact CG1-CG2 4.01Å; H91-I107 PolarHBondContact CD2-O 3Å; H91-I107 VanDerWaalsContact CD2-O 3.23Å; H92-I107 HydrophobicContact CB-CB 4.09Å; H92-I107 HydrophobicContact CB-CG2 4.01Å; H92-I107 PolarHBondContact N-O 2.99Å; I97-I107 HydrophobicContact CD1-CD1 3.87Å; I105-I107 HydrophobicContact CG2-CG1 4.49Å
108Y89.9Confident84.9Confident5 Ų544.5 Ų44.52%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-117.7145.2175.6-68.1-91.1000110.3I40 M41 W42 I43 I58 G90 H91 N106 Q163 I164I40-Y108 HydrophobicContact CG1-CE2 4.3Å; I40-Y108 HydrophobicContact CG2-CD2 3.9Å; I40-Y108 HydrophobicContact CG2-CE2 4.31Å; M41-Y108 PolarHBondContact O-N 3.27Å; W42-Y108 CarbonylContact C-O 3.52Å; W42-Y108 WeakPolarHBondContact CA-O 3.33Å; I43-Y108 PolarHBondContact N-O 3.18Å; I58-Y108 HydrophobicContact CD1-CD1 4.33Å; I58-Y108 HydrophobicContact CD1-CE1 3.82Å; G90-Y108 CarbonylContact O-C 3.49Å; G90-Y108 WeakPolarHBondContact O-CA 3.4Å; H91-Y108 HydrophobicContact CB-CD1 4.07Å; H91-Y108 HydrophobicContact CB-CE1 3.95Å; H91-Y108 AromaticContact CD2-CE1 3.81Å; H91-Y108 AromaticContact CD2-CZ 3.84Å; N106-Y108 HydrophobicContact CB-CD2 4.38Å; N106-Y108 HydrophobicContact CB-CE2 3.67Å; Y108-Q163 VanDerWaalsContact OH-CA 3.23Å; Y108-Q163 WeakPolarHBondContact OH-CA 3.08Å; Y108-Q163 VanDerWaalsContact OH-CB 3.29Å; Y108-Q163 WeakPolarHBondContact OH-CB 3.41Å; Y108-I164 HydrophobicContact CD1-CD1 4.02Å; Y108-I164 HydrophobicContact CD2-CD1 3.69Å; Y108-I164 HydrophobicContact CE1-CB 3.97Å; Y108-I164 HydrophobicContact CE1-CD1 4.19Å; Y108-I164 HydrophobicContact CE1-CG1 4.49Å; Y108-I164 HydrophobicContact CE2-CB 4.42Å; Y108-I164 HydrophobicContact CE2-CD1 3.84Å; Y108-I164 HydrophobicContact CE2-CG1 4.17Å; Y108-I164 HydrophobicContact CG-CD1 3.76Å; Y108-I164 PolarHBondContact OH-N 3.47Å
109E89.4Confident85.7Confident7 Ų740.5 Ų40.53%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-108.8120.9175-55.6-160.4153.800109.5I43 I52 I89 G90 H92 L111I43-E109 HydrophobicContact CB-CG 4.1Å; I43-E109 HydrophobicContact CD1-CG 4.23Å; I43-E109 CarbonylContact O-C 3.59Å; I43-E109 WeakPolarHBondContact O-CA 3.34Å; I52-E109 VanDerWaalsContact CG2-CD 3.5Å; I52-E109 WeakPolarHBondContact CG2-OE1 3.4Å; I52-E109 WeakPolarHBondContact CG2-OE2 3.42Å; I89-E109 VanDerWaalsContact CA-O 3.28Å; I89-E109 WeakPolarHBondContact CA-O 3.21Å; G90-E109 PolarHBondContact N-O 3.31Å; G90-E109 PolarHBondContact O-N 2.9Å; H92-E109 IonicContact CD2-OE1 2.93Å; E109-L111 HydrophobicContact CB-CD1 3.91Å; E109-L111 HydrophobicContact CB-CG 4.28Å; E109-L111 WeakPolarHBondContact OE2-CD1 3.07Å
110F93Very high86.4Confident0 Ų044.1 Ų44.10%023%0.226CC..EExtended strand (participates in β ladder)trans-97.4111.2168.2-170.6-67.4000108.4F27 Y31 W42 I43 F44 S45 I87 I89 F112 L141 V144F27-F110 HydrophobicContact CD2-CD2 4.41Å; F27-F110 HydrophobicContact CD2-CG 4.31Å; F27-F110 HydrophobicContact CE2-CB 3.58Å; F27-F110 HydrophobicContact CE2-CD1 4.15Å; F27-F110 AromaticContact CE2-CD2 3.59Å; F27-F110 HydrophobicContact CE2-CD2 3.59Å; F27-F110 HydrophobicContact CE2-CE2 4.25Å; F27-F110 AromaticContact CE2-CG 3.51Å; F27-F110 HydrophobicContact CE2-CG 3.51Å; F27-F110 HydrophobicContact CZ-CB 3.77Å; F27-F110 HydrophobicContact CZ-CD2 4.47Å; F27-F110 HydrophobicContact CZ-CG 4.23Å; Y31-F110 HydrophobicContact CE1-CD2 4.41Å; Y31-F110 HydrophobicContact CE1-CE2 4.4Å; Y31-F110 AromaticContact CZ-CE2 3.99Å; W42-F110 HydrophobicContact CE3-CB 4.02Å; W42-F110 HydrophobicContact CZ3-CB 4.02Å; W42-F110 HydrophobicContact CZ3-CD2 4.43Å; I43-F110 PolarHBondContact O-N 3.35Å; F44-F110 WeakPolarHBondContact CA-O 2.91Å; F44-F110 HydrophobicContact CD2-CB 4.09Å; F44-F110 AromaticContact CD2-CD1 3.52Å; F44-F110 HydrophobicContact CD2-CD1 3.52Å; F44-F110 HydrophobicContact CD2-CE1 4.23Å; F44-F110 HydrophobicContact CD2-CG 4.02Å; F44-F110 AromaticContact CE2-CD1 3.49Å; F44-F110 HydrophobicContact CE2-CD1 3.49Å; F44-F110 VanDerWaalsContact CE2-CD1 3.49Å; F44-F110 AromaticContact CE2-CE1 3.75Å; F44-F110 HydrophobicContact CE2-CE1 3.75Å; F44-F110 HydrophobicContact CE2-CG 4.38Å; S45-F110 PolarHBondContact N-O 3.46Å; S45-F110 VanDerWaalsContact N-O 3.08Å; I87-F110 HydrophobicContact CD1-CE1 3.78Å; I87-F110 HydrophobicContact CD1-CZ 3.91Å; I87-F110 HydrophobicContact CG1-CZ 4.41Å; I87-F110 HydrophobicContact CG2-CD1 4.5Å; I87-F110 HydrophobicContact CG2-CE1 3.87Å; I87-F110 HydrophobicContact CG2-CE2 3.99Å; I87-F110 HydrophobicContact CG2-CZ 3.57Å; I89-F110 HydrophobicContact CD1-CD2 3.83Å; I89-F110 HydrophobicContact CD1-CE2 4.1Å; I89-F110 HydrophobicContact CG1-CD2 4.04Å; F110-F112 HydrophobicContact CE1-CB 4.47Å; F110-L141 HydrophobicContact CE1-CD2 4.03Å; F110-L141 HydrophobicContact CE2-CD2 4.21Å; F110-L141 HydrophobicContact CZ-CD2 3.6Å; F110-V144 HydrophobicContact CE2-CB 4.16Å; F110-V144 HydrophobicContact CE2-CG1 3.67Å; F110-V144 HydrophobicContact CE2-CG2 4.46Å; F110-V144 HydrophobicContact CZ-CB 4.5Å; F110-V144 HydrophobicContact CZ-CG1 4.35Å; F110-V144 HydrophobicContact CZ-CG2 4.37Å
111L91.2Very high87.1Confident11 Ų1141.7 Ų41.76%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-118.4138.3-174.9-71.5160.3000109.9S45 L47 I53 I87 F88 E109S45-L111 WeakPolarHBondContact O-CA 3.44Å; S45-L111 WeakPolarHBondContact O-CD2 3.14Å; S45-L111 WeakPolarHBondContact OG-CD2 3.35Å; L47-L111 HydrophobicContact CD1-CB 4.44Å; I53-L111 HydrophobicContact CD1-CB 3.79Å; I53-L111 HydrophobicContact CD1-CD1 3.07Å; I53-L111 HydrophobicContact CD1-CG 4Å; I53-L111 HydrophobicContact CG1-CD1 3.13Å; I53-L111 HydrophobicContact CG1-CG 4.46Å; I87-L111 CarbonylContact C-O 3.53Å; I87-L111 WeakPolarHBondContact CA-O 3.37Å; F88-L111 HydrophobicContact CB-CB 4.24Å; F88-L111 PolarHBondContact N-O 3.44Å; F88-L111 PolarHBondContact O-N 2.93Å; E109-L111 HydrophobicContact CB-CD1 3.91Å; E109-L111 HydrophobicContact CB-CG 4.28Å; E109-L111 WeakPolarHBondContact OE2-CD1 3.07Å
112F91.5Very high87.9Confident22 Ų2241.3 Ų41.310%0.09621%0.212CC..EExtended strand (participates in β ladder)trans-135.3144.9-179.369.2-83.3000112.1F44 S45 P46 L47 I85 N86 I87 F110 L114F44-F112 HydrophobicContact CD1-CE1 4.37Å; F44-F112 HydrophobicContact CD2-CD1 4.49Å; F44-F112 HydrophobicContact CE1-CD1 4.31Å; F44-F112 AromaticContact CE1-CE1 3.56Å; F44-F112 HydrophobicContact CE1-CE1 3.56Å; F44-F112 HydrophobicContact CE1-CZ 4.28Å; F44-F112 AromaticContact CE2-CD1 3.65Å; F44-F112 HydrophobicContact CE2-CD1 3.65Å; F44-F112 AromaticContact CE2-CE1 3.77Å; F44-F112 HydrophobicContact CE2-CE1 3.77Å; F44-F112 AromaticContact CZ-CD1 3.54Å; F44-F112 HydrophobicContact CZ-CD1 3.54Å; F44-F112 AromaticContact CZ-CE1 3.19Å; F44-F112 HydrophobicContact CZ-CE1 3.19Å; F44-F112 HydrophobicContact CZ-CZ 4.03Å; S45-F112 VanDerWaalsContact O-CD1 3.24Å; S45-F112 WeakPolarHBondContact O-CD1 3.44Å; S45-F112 WeakPolarHBondContact O-CE1 3.49Å; S45-F112 PolarHBondContact O-N 2.84Å; P46-F112 CarbonylContact C-O 3.54Å; P46-F112 WeakPolarHBondContact CA-O 3.22Å; P46-F112 HydrophobicContact CB-CE1 4.43Å; P46-F112 HydrophobicContact CB-CE2 4.44Å; P46-F112 HydrophobicContact CB-CZ 4.12Å; L47-F112 PolarHBondContact N-O 2.99Å; I85-F112 HydrophobicContact CG2-CB 4.28Å; N86-F112 CarbonylContact O-C 3.49Å; N86-F112 VanDerWaalsContact O-CA 3.25Å; N86-F112 WeakPolarHBondContact O-CA 3.27Å; I87-F112 HydrophobicContact CD1-CB 3.65Å; F110-F112 HydrophobicContact CE1-CB 4.47Å; F112-L114 HydrophobicContact CD2-CD2 3.99Å; F112-L114 HydrophobicContact CD2-CG 4.23Å; F112-L114 HydrophobicContact CE2-CD2 4.33Å; F112-L114 HydrophobicContact CE2-CG 4.29Å
113S90Very high88.4Confident28 Ų2845.9 Ų45.920%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-125135.2167.672.50000109.7N86N86-S113 WeakPolarHBondContact CB-OG 3.22Å; N86-S113 PolarHBondContact N-O 3.11Å; N86-S113 PolarHBondContact ND2-OG 3.49Å; N86-S113 PolarHBondContact O-N 3.5Å
114L91.7Very high88.8Confident33 Ų3343.2 Ų43.217%0.17322%0.218CC..EExtended strand (participates in β ladder)trans-90148176.7-58.6-175000110.2W23 F67 I85 F112 G130 T132W23-L114 HydrophobicContact CZ2-CD2 4.18Å; F67-L114 HydrophobicContact CE1-CB 3.93Å; F67-L114 HydrophobicContact CE1-CD2 4.06Å; F67-L114 HydrophobicContact CE1-CG 4.43Å; F67-L114 HydrophobicContact CZ-CD2 4.45Å; I85-L114 HydrophobicContact CD1-CD2 4.32Å; I85-L114 HydrophobicContact CG1-CD2 3.98Å; I85-L114 HydrophobicContact CG2-CD2 4.08Å; F112-L114 HydrophobicContact CD2-CD2 3.99Å; F112-L114 HydrophobicContact CD2-CG 4.23Å; F112-L114 HydrophobicContact CE2-CD2 4.33Å; F112-L114 HydrophobicContact CE2-CG 4.29Å; L114-G130 VanDerWaalsContact CD1-O 3.22Å; L114-G130 WeakPolarHBondContact CD1-O 3.5Å; L114-T132 HydrophobicContact CD2-CG2 4.24Å
115D90.1Very high89.1Confident43 Ų4349.2 Ų49.223%0.2325%0.25CS..  trans-59.7148.3175.2-160.732.3000111.3F67 G83 S84 G130F67-D115 HydrophobicContact CE1-CB 4.43Å; F67-D115 HydrophobicContact CE2-CB 4.28Å; F67-D115 HydrophobicContact CZ-CB 4.15Å; G83-D115 WeakPolarHBondContact CA-OD2 3.16Å; S84-D115 WeakPolarHBondContact O-CB 3.42Å; S84-D115 PolarHBondContact O-N 3.44Å; D115-G130 PolarHBondContact O-N 3.37Å
116Q90.9Very high89.2Confident98 Ų9853.2 Ų53.246%0.45827%0.272SS..EExtended strand (participates in β ladder)trans-126.7139-178.8-52.2-173.3-19.400111L127 I128Q116-L127 HydrophobicContact CB-CB 4Å; Q116-L127 HydrophobicContact CB-CD2 4.43Å; Q116-I128 VanDerWaalsContact CA-O 3.29Å; Q116-I128 WeakPolarHBondContact CA-O 3.35Å
117Q90.7Very high89.4Confident50 Ų5057.2 Ų57.223%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-134.8149.4-179.2-66.1-1732.200111.3F69 W78 S80 I128F69-Q117 HydrophobicContact CD1-CB 4.06Å; F69-Q117 HydrophobicContact CD1-CG 4.48Å; F69-Q117 HydrophobicContact CE1-CB 3.75Å; F69-Q117 HydrophobicContact CE1-CG 3.74Å; F69-Q117 HydrophobicContact CE2-CG 4.1Å; F69-Q117 HydrophobicContact CZ-CB 4.03Å; F69-Q117 VanDerWaalsContact CZ-CD 3.49Å; F69-Q117 HydrophobicContact CZ-CG 3.53Å; W78-Q117 HydrophobicContact CZ2-CB 4.15Å; S80-Q117 PolarHBondContact OG-NE2 2.98Å; Q117-I128 PolarHBondContact N-O 3.43Å; Q117-I128 WeakPolarHBondContact O-CB 3.36Å; Q117-I128 PolarHBondContact O-N 3.23Å
118K91.8Very high89.5Confident109 Ų10957.6 Ų57.647%0.47430%0.295SS..EExtended strand (participates in β ladder)trans-78.5148171.3-65.2-175.8-179.6178.70110.1I120 L127K118-I120 PolarHBondContact O-N 2.99Å; K118-L127 HydrophobicContact CG-CD2 3.91Å
119C92Very high89.3Confident1 Ų160.2 Ų60.21%0.00731%0.314CS..  trans-77117.5173.9-175.40000110.6C71 W78 Q121 C122 N123 I128C71-C119 HydrophobicContact CB-CB 3.86Å; C71-C119 VanDerWaalsContact CB-SG 3.54Å; C71-C119 VanDerWaalsContact SG-SG 3.67Å; W78-C119 HydrophobicContact CH2-CB 3.96Å; W78-C119 HydrophobicContact CZ3-CB 4.24Å; C119-Q121 VanDerWaalsContact C-N 3.32Å; C119-Q121 PolarHBondContact O-N 2.91Å; C119-C122 VanDerWaalsContact SG-SG 3.67Å; C119-N123 WeakPolarHBondContact O-CA 3.33Å; C119-N123 PolarHBondContact O-N 2.99Å; C119-N123 VanDerWaalsContact O-N 3.13Å; C119-I128 HydrophobicContact CB-CD1 3.71Å
120I89.6Confident89.2Confident133 Ų13360 Ų6068%0.68231%0.314SS*.THydrogen-bonded Turntrans-67.9-29.4177.462.2173.6000113.2K118K118-I120 PolarHBondContact O-N 2.99Å
121Q91.6Very high89Confident136 Ų13660.6 Ų60.664%0.63632%0.317SS*.THydrogen-bonded Turntrans-75.6-39.1-172.3-172.366.22.600113.4H76 C119H76-Q121 HydrophobicContact CB-CB 3.92Å; H76-Q121 HydrophobicContact CB-CG 4.31Å; C119-Q121 VanDerWaalsContact C-N 3.32Å; C119-Q121 PolarHBondContact O-N 2.91Å
122C91Very high88.8Confident36 Ų3660.2 Ų60.224%0.24332%0.316CS..THydrogen-bonded Turntrans-107.24.2178.965.90000113.2C74 C119 S124C74-C122 HydrophobicContact CB-CB 3.85Å; C74-C122 VanDerWaalsContact SG-SG 3.63Å; C119-C122 VanDerWaalsContact SG-SG 3.67Å; C122-S124 PolarHBondContact O-N 2.87Å
123N81.7Confident88.6Confident129 Ų12963 Ų6369%0.6933%0.326SS*.THydrogen-bonded Turntrans42.841.1-174.9-16025.3000112.5C119 N125C119-N123 WeakPolarHBondContact O-CA 3.33Å; C119-N123 PolarHBondContact O-N 2.99Å; C119-N123 VanDerWaalsContact O-N 3.13Å; N123-N125 PolarHBondContact O-N 3Å
124S83.2Confident88.6Confident3 Ų364.7 Ų64.72%0.02134%0.337CS..  trans-68.6135178.861.80000109C122 N126C122-S124 PolarHBondContact O-N 2.87Å; S124-N126 PolarHBondContact O-N 3.15Å
125N84.4Confident88.5Confident128 Ų12868 Ų6868%0.68435%0.351SS*.SBendtrans-70-8.1173-76.2-24.6000112.9N123N123-N125 PolarHBondContact O-N 3Å
126N86.8Confident88.5Confident115 Ų11566.4 Ų66.462%0.61534%0.342SS*.SBendtrans-77.3128.5-178.9-64.3-10000110.6S124S124-N126 PolarHBondContact O-N 3.15Å
127L89.2Confident88.5Confident99 Ų9961.8 Ų61.852%0.51832%0.321SS..EExtended strand (participates in β ladder)trans-72.5126.9169.1-69.9175.2000109.6Q116 K118Q116-L127 HydrophobicContact CB-CB 4Å; Q116-L127 HydrophobicContact CB-CD2 4.43Å; K118-L127 HydrophobicContact CG-CD2 3.91Å
128I89.1Confident88.6Confident23 Ų2362.6 Ų62.612%0.11833%0.326CS..EExtended strand (participates in β ladder)trans-101.9120177.3-65.4156.8000106.9F69 H70 C71 W78 Q116 Q117 C119 G130F69-I128 HydrophobicContact CB-CG2 4.36Å; F69-I128 HydrophobicContact CD1-CG2 4.22Å; F69-I128 WeakPolarHBondContact CD1-O 3.28Å; F69-I128 WeakPolarHBondContact CE1-O 3.37Å; H70-I128 WeakPolarHBondContact O-CG2 3.41Å; C71-I128 HydrophobicContact CB-CD1 3.63Å; W78-I128 HydrophobicContact CH2-CD1 3.68Å; W78-I128 HydrophobicContact CZ3-CD1 4.38Å; Q116-I128 VanDerWaalsContact CA-O 3.29Å; Q116-I128 WeakPolarHBondContact CA-O 3.35Å; Q117-I128 PolarHBondContact N-O 3.43Å; Q117-I128 WeakPolarHBondContact O-CB 3.36Å; Q117-I128 PolarHBondContact O-N 3.23Å; C119-I128 HydrophobicContact CB-CD1 3.71Å; I128-G130 PolarHBondContact O-N 2.78Å
129S86.8Confident88.7Confident61 Ų6163 Ų6343%0.42733%0.328SS..EExtended strand (participates in β ladder)trans-66.1131.1172.8-170.20000109.6
130G86.8Confident88.7Confident3 Ų363 Ų633%0.03133%0.327CS..PPolyproline II helixtrans-70.4152.4172.600000110.8F69 L114 D115 I128F69-G130 VanDerWaalsContact CD1-CA 3.48Å; F69-G130 VanDerWaalsContact CE1-N 3.26Å; L114-G130 VanDerWaalsContact CD1-O 3.22Å; L114-G130 WeakPolarHBondContact CD1-O 3.5Å; D115-G130 PolarHBondContact O-N 3.37Å; I128-G130 PolarHBondContact O-N 2.78Å
131S88Confident89Confident11 Ų1156.6 Ų56.68%0.07730%0.295CS..EExtended strand (participates in β ladder)trans-101.5144163.767.80000109.1H16 F67 R68H16-S131 WeakPolarHBondContact CE1-CB 3.42Å; H16-S131 PolarHBondContact CE1-OG 3.48Å; H16-S131 PolarHBondContact ND1-OG 2.98Å; H16-S131 WeakPolarHBondContact NE2-CB 3.33Å; F67-S131 CarbonylContact C-O 3.54Å; F67-S131 VanDerWaalsContact CA-O 3.27Å; F67-S131 WeakPolarHBondContact CA-O 3.37Å; R68-S131 PolarHBondContact N-O 2.93Å; R68-S131 PolarHBondContact O-N 2.95Å; R68-S131 PolarHBondContact O-OG 2.89Å
132T87.4Confident89.1Confident4 Ų452.1 Ų52.13%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-96.2151.2175.552.20000110.2L19 W23 F67 I85 L114 V137L19-T132 VanDerWaalsContact CD1-O 3.23Å; L19-T132 WeakPolarHBondContact CD1-O 3.37Å; L19-T132 WeakPolarHBondContact CD2-O 3.49Å; W23-T132 PolarHBondContact NE1-OG1 3.19Å; F67-T132 HydrophobicContact CD1-CG2 3.75Å; F67-T132 HydrophobicContact CE1-CG2 3.36Å; F67-T132 HydrophobicContact CE2-CG2 4.31Å; F67-T132 HydrophobicContact CG-CG2 4.42Å; F67-T132 HydrophobicContact CZ-CG2 3.71Å; I85-T132 HydrophobicContact CD1-CG2 3.68Å; I85-T132 HydrophobicContact CG1-CG2 4.1Å; L114-T132 HydrophobicContact CD2-CG2 4.24Å; T132-V137 WeakPolarHBondContact OG1-CG2 3.45Å
133Y87.8Confident89.3Confident79 Ų7954.1 Ų54.131%0.3128%0.28SS..PPolyproline II helixtrans-70.2150.6170.2-64.4-85000110.6K66 T79 H135 E136 V137K66-Y133 HydrophobicContact CB-CD2 4.12Å; K66-Y133 HydrophobicContact CB-CE2 4.25Å; T79-Y133 WeakPolarHBondContact CG2-OH 3.41Å; Y133-H135 WeakPolarHBondContact CB-CE1 3.07Å; Y133-H135 WeakPolarHBondContact CB-ND1 3.39Å; Y133-H135 AromaticContact CG-CE1 3.85Å; Y133-H135 PolarHBondContact O-N 3.22Å; Y133-H135 VanDerWaalsContact O-N 3.15Å; Y133-E136 WeakPolarHBondContact O-CB 3.46Å; Y133-E136 PolarHBondContact O-N 3.05Å; Y133-V137 PolarHBondContact O-N 2.82Å; Y133-V137 VanDerWaalsContact O-N 3.14Å
134P89.2Confident89.8Confident65 Ų6548 Ų4842%0.42225%0.247SC..Hα-helixtrans-51.4-39.1178.3-3136.5000114.4L19 V22 E136 V137 I138L19-P134 HydrophobicContact CD1-CG 4.1Å; V22-P134 HydrophobicContact CG1-CB 4.18Å; P134-E136 PolarHBondContact O-N 2.86Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 PolarHBondContact O-N 2.81Å; P134-I138 WeakPolarHBondContact O-CG1 3.17Å; P134-I138 PolarHBondContact O-N 3.23Å; P134-I138 VanDerWaalsContact O-N 3.12Å
135H89.8Confident90.3Very high103 Ų10350 Ų5048%0.47725%0.254SS..Hα-helixtrans-67.9-32.1177.670.1-89.6000113.3Y133 K139Y133-H135 WeakPolarHBondContact CB-CE1 3.07Å; Y133-H135 WeakPolarHBondContact CB-ND1 3.39Å; Y133-H135 AromaticContact CG-CE1 3.85Å; Y133-H135 PolarHBondContact O-N 3.22Å; Y133-H135 VanDerWaalsContact O-N 3.15Å; H135-K139 WeakPolarHBondContact O-CB 3.48Å; H135-K139 PolarHBondContact O-N 3.43Å
136E91.1Very high90.7Very high9 Ų949.2 Ų49.24%0.04225%0.25CC..Hα-helixtrans-70.1-36.3174.6-66.5-67.3160.700110.6A65 K66 Y133 P134 K139 V140A65-E136 HydrophobicContact CB-CB 4.41Å; K66-E136 HydrophobicContact CB-CG 4.17Å; Y133-E136 WeakPolarHBondContact O-CB 3.46Å; Y133-E136 PolarHBondContact O-N 3.05Å; P134-E136 PolarHBondContact O-N 2.86Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 IonicContact OE2-NZ 3.91Å; E136-V140 WeakPolarHBondContact O-CB 3.36Å; E136-V140 WeakPolarHBondContact O-CG2 3.42Å; E136-V140 PolarHBondContact O-N 3.01Å
137V91Very high90.8Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-59-51.1173.3178.30000110.8L19 V22 W23 T132 Y133 P134 V140 L141L19-V137 HydrophobicContact CD1-CG2 4.36Å; V22-V137 HydrophobicContact CG1-CB 4.37Å; V22-V137 HydrophobicContact CG1-CG1 4.27Å; W23-V137 HydrophobicContact CB-CG1 4.37Å; W23-V137 HydrophobicContact CD2-CB 4.38Å; W23-V137 HydrophobicContact CD2-CG1 3.45Å; W23-V137 VanDerWaalsContact CD2-CG1 3.45Å; W23-V137 HydrophobicContact CD2-CG2 4.13Å; W23-V137 HydrophobicContact CE3-CG1 3.72Å; W23-V137 HydrophobicContact CG-CG1 3.74Å; W23-V137 HydrophobicContact CG-CG2 4.33Å; W23-V137 HydrophobicContact CH2-CG1 4.43Å; W23-V137 HydrophobicContact CZ2-CB 4.38Å; W23-V137 HydrophobicContact CZ2-CG1 4.2Å; W23-V137 HydrophobicContact CZ2-CG2 3.84Å; W23-V137 HydrophobicContact CZ3-CG1 4.21Å; W23-V137 VanDerWaalsContact NE1-CG2 3.31Å; T132-V137 WeakPolarHBondContact OG1-CG2 3.45Å; Y133-V137 PolarHBondContact O-N 2.82Å; Y133-V137 VanDerWaalsContact O-N 3.14Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 PolarHBondContact O-N 2.81Å; V137-V140 PolarHBondContact O-N 2.8Å; V137-L141 HydrophobicContact CG1-CD1 3.93Å; V137-L141 HydrophobicContact CG1-CG 4.47Å; V137-L141 WeakPolarHBondContact O-CB 3.4Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 2.81Å
138I92.5Very high90.7Very high68 Ų6840.8 Ų40.835%0.34920%0.204SC..Hα-helixtrans-57.2-53177.8-70166.8000110.1Y26 P134 V140 L141 T142Y26-I138 HydrophobicContact CD1-CB 4.41Å; Y26-I138 HydrophobicContact CD1-CG1 4.11Å; Y26-I138 HydrophobicContact CD2-CG1 4.16Å; Y26-I138 HydrophobicContact CE1-CB 4.09Å; Y26-I138 HydrophobicContact CE1-CG1 4.14Å; Y26-I138 HydrophobicContact CE1-CG2 3.82Å; Y26-I138 HydrophobicContact CE2-CG1 4.21Å; Y26-I138 HydrophobicContact CE2-CG2 4.32Å; Y26-I138 HydrophobicContact CG-CG1 4.12Å; P134-I138 WeakPolarHBondContact O-CG1 3.17Å; P134-I138 PolarHBondContact O-N 3.23Å; P134-I138 VanDerWaalsContact O-N 3.12Å; I138-V140 VanDerWaalsContact C-N 3.31Å; I138-V140 PolarHBondContact O-N 3Å; I138-L141 PolarHBondContact O-N 3.02Å; I138-T142 WeakPolarHBondContact O-CB 3.45Å; I138-T142 PolarHBondContact O-N 2.9Å; I138-T142 PolarHBondContact O-OG1 2.99Å
139K93.5Very high90.5Very high117 Ų11742.2 Ų42.251%0.50921%0.214SC..Hα-helixtrans-53.7-45.9179.5178.6-174.7170.9-167.10112.3H135 E136 Y143H135-K139 WeakPolarHBondContact O-CB 3.48Å; H135-K139 PolarHBondContact O-N 3.43Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 IonicContact OE2-NZ 3.91Å; K139-Y143 WeakPolarHBondContact O-CB 3.35Å; K139-Y143 PolarHBondContact O-N 2.9Å
140V92.8Very high90.3Very high0 Ų041.3 Ų41.30%020%0.204CC..Hα-helixtrans-67.5-47.6-178.8168.10000111.2W23 I63 I85 I87 E136 V137 I138 Y143 V144W23-V140 HydrophobicContact CH2-CG1 4.3Å; I63-V140 HydrophobicContact CB-CG2 4.48Å; I63-V140 HydrophobicContact CD1-CG1 3.88Å; I63-V140 HydrophobicContact CG2-CG2 3.81Å; I85-V140 HydrophobicContact CD1-CB 4.24Å; I85-V140 HydrophobicContact CD1-CG1 4.15Å; I85-V140 HydrophobicContact CD1-CG2 3.68Å; I87-V140 HydrophobicContact CD1-CG1 4.18Å; I87-V140 HydrophobicContact CG1-CG1 4.31Å; E136-V140 WeakPolarHBondContact O-CB 3.36Å; E136-V140 WeakPolarHBondContact O-CG2 3.42Å; E136-V140 PolarHBondContact O-N 3.01Å; V137-V140 PolarHBondContact O-N 2.8Å; I138-V140 VanDerWaalsContact C-N 3.31Å; I138-V140 PolarHBondContact O-N 3Å; V140-Y143 WeakPolarHBondContact O-CB 3.47Å; V140-Y143 PolarHBondContact O-N 3.35Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.45Å
141L95.2Very high90.1Very high0 Ų047.6 Ų47.60%023%0.227CC..Hα-helixtrans-65.1-42.1-179.5-71.9179.2000112W23 Y26 F27 L30 Y31 F110 V137 I138 V144 R145W23-L141 HydrophobicContact CE3-CD1 4.01Å; W23-L141 HydrophobicContact CE3-CD2 4.12Å; W23-L141 HydrophobicContact CE3-CG 4.13Å; W23-L141 HydrophobicContact CZ3-CD1 4.35Å; W23-L141 HydrophobicContact CZ3-CD2 3.85Å; W23-L141 HydrophobicContact CZ3-CG 3.97Å; Y26-L141 HydrophobicContact CD1-CB 3.87Å; Y26-L141 HydrophobicContact CD1-CD1 3.78Å; Y26-L141 HydrophobicContact CD1-CG 4.46Å; Y26-L141 HydrophobicContact CE1-CB 4.15Å; Y26-L141 HydrophobicContact CG-CD1 4.46Å; F27-L141 HydrophobicContact CB-CD1 4.27Å; F27-L141 HydrophobicContact CD2-CD2 4.14Å; L30-L141 HydrophobicContact CD2-CB 4.06Å; L30-L141 WeakPolarHBondContact CD2-O 3.31Å; Y31-L141 HydrophobicContact CE2-CB 4.41Å; Y31-L141 HydrophobicContact CE2-CD2 4.24Å; Y31-L141 PolarHBondContact OH-O 3.3Å; F110-L141 HydrophobicContact CE1-CD2 4.03Å; F110-L141 HydrophobicContact CE2-CD2 4.21Å; F110-L141 HydrophobicContact CZ-CD2 3.6Å; V137-L141 HydrophobicContact CG1-CD1 3.93Å; V137-L141 HydrophobicContact CG1-CG 4.47Å; V137-L141 WeakPolarHBondContact O-CB 3.4Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 2.81Å; I138-L141 PolarHBondContact O-N 3.02Å; L141-V144 PolarHBondContact O-N 2.97Å; L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 PolarHBondContact O-N 2.94Å
142T94.9Very high89.6Confident41 Ų4149.5 Ų49.525%0.25224%0.239SC..Hα-helixtrans-63.3-42.7173.8-54.60000111.6Y26 I138 V144 R145 N146Y26-T142 PolarHBondContact OH-OG1 3.2Å; I138-T142 WeakPolarHBondContact O-CB 3.45Å; I138-T142 PolarHBondContact O-N 2.9Å; I138-T142 PolarHBondContact O-OG1 2.99Å; T142-V144 PolarHBondContact O-N 3.2Å; T142-R145 PolarHBondContact O-N 3Å; T142-N146 VanDerWaalsContact O-CG 3.24Å; T142-N146 PolarHBondContact O-N 3.27Å; T142-N146 PolarHBondContact O-OD1 3.27Å
143Y94Very high89Confident79 Ų7951 Ų5131%0.3125%0.246SC..Hα-helixtrans-57.2-49.6176.5175.5-92.9000111.5K61 I63 K139 V140 R145 N146 H147K61-Y143 HydrophobicContact CD-CE1 4.11Å; K61-Y143 VanDerWaalsContact CE-OH 3.24Å; K61-Y143 WeakPolarHBondContact CE-OH 3.46Å; K61-Y143 PolarHBondContact NZ-OH 3.36Å; I63-Y143 HydrophobicContact CD1-CD1 3.55Å; I63-Y143 HydrophobicContact CD1-CE1 3.95Å; I63-Y143 HydrophobicContact CG1-CD1 4.1Å; I63-Y143 HydrophobicContact CG1-CE1 4.08Å; K139-Y143 WeakPolarHBondContact O-CB 3.35Å; K139-Y143 PolarHBondContact O-N 2.9Å; V140-Y143 WeakPolarHBondContact O-CB 3.47Å; V140-Y143 PolarHBondContact O-N 3.35Å; Y143-R145 VanDerWaalsContact C-N 3.34Å; Y143-R145 PolarHBondContact O-N 3.06Å; Y143-N146 PolarHBondContact O-N 3.37Å; Y143-H147 AromaticContact CE1-CD2 3.64Å; Y143-H147 AromaticContact CE1-NE2 3.69Å; Y143-H147 AromaticContact CE2-NE2 3.53Å; Y143-H147 AromaticContact CZ-CD2 3.65Å; Y143-H147 AromaticContact CZ-NE2 3.17Å; Y143-H147 PolarHBondContact O-CD2 3.3Å; Y143-H147 VanDerWaalsContact O-CD2 3.24Å; Y143-H147 PolarHBondContact O-N 3Å; Y143-H147 PolarHBondContact OH-NE2 2.82Å; Y143-H147 VanDerWaalsContact OH-NE2 3.15Å
144V93.5Very high88.1Confident0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-64.1-40.4178.9179.80000111.2Y31 W59 I63 I87 I89 F110 V140 L141 T142 N146 H147 I148Y31-V144 WeakPolarHBondContact OH-CB 3.16Å; W59-V144 HydrophobicContact CH2-CG1 4.17Å; W59-V144 HydrophobicContact CH2-CG2 3.96Å; W59-V144 HydrophobicContact CZ3-CG1 3.88Å; W59-V144 HydrophobicContact CZ3-CG2 4.09Å; I63-V144 HydrophobicContact CD1-CG2 3.63Å; I87-V144 HydrophobicContact CG1-CG2 4.16Å; I87-V144 HydrophobicContact CG2-CG1 4.47Å; I87-V144 HydrophobicContact CG2-CG2 4.2Å; I89-V144 HydrophobicContact CD1-CG1 3.64Å; F110-V144 HydrophobicContact CE2-CB 4.16Å; F110-V144 HydrophobicContact CE2-CG1 3.67Å; F110-V144 HydrophobicContact CE2-CG2 4.46Å; F110-V144 HydrophobicContact CZ-CB 4.5Å; F110-V144 HydrophobicContact CZ-CG1 4.35Å; F110-V144 HydrophobicContact CZ-CG2 4.37Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.45Å; L141-V144 PolarHBondContact O-N 2.97Å; T142-V144 PolarHBondContact O-N 3.2Å; V144-N146 VanDerWaalsContact C-N 3.31Å; V144-N146 PolarHBondContact O-N 3.14Å; V144-H147 WeakPolarHBondContact O-CB 3.23Å; V144-H147 PolarHBondContact O-N 2.89Å; V144-I148 HydrophobicContact CG1-CD1 4.09Å; V144-I148 PolarHBondContact O-N 2.64Å
145R93.4Very high86.9Confident46 Ų4655.7 Ų55.717%0.17426%0.258CS..Hα-helixtrans-60.7-40.4177.7178.658.2177.2-174.8-6.5112L30 Y31 D35 L141 T142 Y143 H147 I148L30-R145 HydrophobicContact CD1-CB 4.27Å; L30-R145 HydrophobicContact CD1-CG 3.9Å; L30-R145 HydrophobicContact CD2-CB 3.76Å; L30-R145 HydrophobicContact CD2-CG 4.28Å; L30-R145 HydrophobicContact CG-CB 3.94Å; L30-R145 HydrophobicContact CG-CG 3.9Å; Y31-R145 HydrophobicContact CE1-CB 4.34Å; Y31-R145 PolarHBondContact OH-N 2.93Å; D35-R145 VanDerWaalsContact CG-NH1 3.31Å; D35-R145 IonicContact OD1-CZ 2.77Å; D35-R145 VanDerWaalsContact OD1-CZ 3.25Å; D35-R145 IonicContact OD1-NH1 3.89Å; D35-R145 PolarHBondContact OD1-NH1 3.42Å; D35-R145 IonicContact OD1-NH2 2.82Å; D35-R145 PolarHBondContact OD1-NH2 2.63Å; D35-R145 IonicContact OD2-CZ 2.67Å; D35-R145 IonicContact OD2-NH1 3.71Å; D35-R145 PolarHBondContact OD2-NH1 3.43Å; L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 PolarHBondContact O-N 2.94Å; T142-R145 PolarHBondContact O-N 3Å; Y143-R145 VanDerWaalsContact C-N 3.34Å; Y143-R145 PolarHBondContact O-N 3.06Å; R145-H147 PolarHBondContact O-N 3.27Å; R145-I148 PolarHBondContact O-N 3.47Å
146N91.7Very high85.5Confident110 Ų11057.1 Ų57.159%0.58827%0.269SS*.Hα-helixtrans-66-16.1177.7-69.3-11.3000113.2T142 Y143 V144T142-N146 VanDerWaalsContact O-CG 3.24Å; T142-N146 PolarHBondContact O-N 3.27Å; T142-N146 PolarHBondContact O-OD1 3.27Å; Y143-N146 PolarHBondContact O-N 3.37Å; V144-N146 VanDerWaalsContact C-N 3.31Å; V144-N146 PolarHBondContact O-N 3.14Å
147H88.7Confident84Confident24 Ų2461.8 Ų61.811%0.11131%0.309CS..THydrogen-bonded Turntrans-89.8-7.9172.1-78.5-71.2000113.5Y143 V144 R145 F166 L167Y143-H147 AromaticContact CE1-CD2 3.64Å; Y143-H147 AromaticContact CE1-NE2 3.69Å; Y143-H147 AromaticContact CE2-NE2 3.53Å; Y143-H147 AromaticContact CZ-CD2 3.65Å; Y143-H147 AromaticContact CZ-NE2 3.17Å; Y143-H147 PolarHBondContact O-CD2 3.3Å; Y143-H147 VanDerWaalsContact O-CD2 3.24Å; Y143-H147 PolarHBondContact O-N 3Å; Y143-H147 PolarHBondContact OH-NE2 2.82Å; Y143-H147 VanDerWaalsContact OH-NE2 3.15Å; V144-H147 WeakPolarHBondContact O-CB 3.23Å; V144-H147 PolarHBondContact O-N 2.89Å; R145-H147 PolarHBondContact O-N 3.27Å; H147-F166 HydrophobicContact CB-CD1 4.31Å; H147-F166 CarbonylContact O-C 3.59Å; H147-F166 VanDerWaalsContact O-CA 3.22Å; H147-F166 WeakPolarHBondContact O-CA 3.5Å; H147-L167 PolarHBondContact O-N 3.46Å
148I87.7Confident82.7Confident14 Ų1467.4 Ų67.47%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-100.4132-177.3-72.6161.2000110Y31 W42 I89 V144 R145 I164 F166Y31-I148 HydrophobicContact CE1-CD1 3.72Å; W42-I148 HydrophobicContact CH2-CD1 4.09Å; W42-I148 HydrophobicContact CZ2-CD1 4.32Å; I89-I148 HydrophobicContact CD1-CD1 3.93Å; V144-I148 HydrophobicContact CG1-CD1 4.09Å; V144-I148 PolarHBondContact O-N 2.64Å; R145-I148 PolarHBondContact O-N 3.47Å; I148-I164 HydrophobicContact CB-CG2 4.34Å; I148-I164 HydrophobicContact CG1-CG2 4.04Å; I148-I164 HydrophobicContact CG2-CB 4.41Å; I148-I164 HydrophobicContact CG2-CG1 4.06Å; I148-I164 HydrophobicContact CG2-CG2 3.65Å; I148-F166 HydrophobicContact CD1-CE1 3.88Å; I148-F166 HydrophobicContact CD1-CZ 4.06Å; I148-F166 HydrophobicContact CG1-CD1 3.88Å; I148-F166 HydrophobicContact CG1-CE1 3.32Å; I148-F166 HydrophobicContact CG1-CZ 3.69Å
149T85.4Confident81.4Confident52 Ų5267.8 Ų67.832%0.31935%0.346SS..EExtended strand (participates in β ladder)trans-120.9145.7168.450.20000109.1I164 E165 L167T149-I164 CarbonylContact O-C 3.55Å; T149-I164 WeakPolarHBondContact O-CA 3.38Å; T149-E165 PolarHBondContact N-O 2.97Å; T149-E165 PolarHBondContact O-N 3.32Å; T149-E165 VanDerWaalsContact O-O 3.12Å; T149-E165 PolarHBondContact OG1-O 2.95Å; T149-L167 HydrophobicContact CG2-CD1 4.2Å; T149-L167 HydrophobicContact CG2-CD2 3.78Å; T149-L167 HydrophobicContact CG2-CG 3.8Å
150I83Confident80.2Confident43 Ų4364.8 Ų64.822%0.22133%0.332CS..EExtended strand (participates in β ladder)trans-106123.9177.2-63.4172000108D35 Y38 I40 Y162 Q163 I164D35-I150 HydrophobicContact CB-CD1 4.31Å; D35-I150 VanDerWaalsContact OD1-CD1 3.23Å; D35-I150 WeakPolarHBondContact OD1-CD1 3.25Å; Y38-I150 HydrophobicContact CD1-CG2 4.37Å; Y38-I150 HydrophobicContact CD2-CD1 3.67Å; Y38-I150 HydrophobicContact CD2-CG2 4.3Å; Y38-I150 HydrophobicContact CE2-CD1 4.1Å; Y38-I150 HydrophobicContact CG-CD1 4.38Å; Y38-I150 HydrophobicContact CG-CG2 4Å; I40-I150 HydrophobicContact CD1-CB 4.5Å; I40-I150 HydrophobicContact CD1-CD1 3.89Å; I40-I150 HydrophobicContact CD1-CG1 3.92Å; I40-I150 HydrophobicContact CD1-CG2 3.79Å; I150-Y162 HydrophobicContact CG2-CD1 3.93Å; I150-Y162 HydrophobicContact CG2-CG 4.19Å; I150-Q163 CarbonylContact C-O 3.59Å; I150-Q163 WeakPolarHBondContact CA-O 3.46Å; I150-I164 HydrophobicContact CG1-CG1 4.4Å
151R81.9Confident79.4Confident134 Ų13464.9 Ų64.951%0.50633%0.333SS..EExtended strand (participates in β ladder)trans-119.3134.9-177.6-172.1-173.1174.3166.70.6110.7Y162 Q163 E165R151-Y162 CarbonylContact O-C 3.58Å; R151-Y162 WeakPolarHBondContact O-CA 3.37Å; R151-Q163 HydrophobicContact CB-CG 4.45Å; R151-Q163 PolarHBondContact N-O 3.38Å; R151-Q163 PolarHBondContact O-N 3.45Å; R151-E165 HydrophobicContact CB-CG 4.32Å; R151-E165 WeakPolarHBondContact CD-OE1 2.95Å; R151-E165 WeakPolarHBondContact CD-OE2 3.28Å; R151-E165 IonicContact CZ-OE1 3.71Å; R151-E165 IonicContact NE-OE1 3.74Å; R151-E165 IonicContact NH1-OE1 2.89Å; R151-E165 PolarHBondContact NH1-OE1 3.47Å; R151-E165 IonicContact NH1-OE2 3.64Å
152P77.2Confident78.7Confident51 Ų5167.4 Ų67.433%0.33134%0.343SS..EExtended strand (participates in β ladder)trans-66.1139.1170.728.1-34.1000111.1Y154 G161 Y162P152-Y154 HydrophobicContact CB-CE2 4.24Å; P152-Y154 HydrophobicContact CG-CE2 4.43Å; P152-G161 CarbonylContact C-O 3.53Å; P152-G161 WeakPolarHBondContact CA-O 3.32Å; P152-Y162 HydrophobicContact CB-CD1 4.08Å; P152-Y162 HydrophobicContact CB-CE1 3.94Å
153I74.5Confident78.1Confident35 Ų3568.5 Ų68.518%0.17935%0.345CS..EExtended strand (participates in β ladder)trans-116.8133170.6-48.9159.5000107.9F155 Y160 G161 Q163I153-F155 HydrophobicContact CB-CD2 4.49Å; I153-F155 HydrophobicContact CB-CE2 3.94Å; I153-F155 HydrophobicContact CB-CZ 4.33Å; I153-F155 HydrophobicContact CD1-CE2 4.26Å; I153-F155 HydrophobicContact CD1-CZ 4.05Å; I153-F155 HydrophobicContact CG2-CD2 4.18Å; I153-F155 HydrophobicContact CG2-CE1 4.32Å; I153-F155 HydrophobicContact CG2-CE2 3.83Å; I153-F155 HydrophobicContact CG2-CZ 3.92Å; I153-Y160 WeakPolarHBondContact O-CA 3.26Å; I153-G161 PolarHBondContact N-O 3.18Å; I153-G161 PolarHBondContact O-N 2.85Å; I153-Q163 HydrophobicContact CD1-CB 3.36Å; I153-Q163 HydrophobicContact CD1-CG 3.52Å; I153-Q163 VanDerWaalsContact CD1-OE1 3.32Å; I153-Q163 HydrophobicContact CG1-CB 3.91Å; I153-Q163 HydrophobicContact CG1-CG 3.48Å; I153-Q163 VanDerWaalsContact CG1-CG 3.48Å
154Y69.6Low77.6Confident181 Ų18165.1 Ų65.171%0.7133%0.332SS*.EExtended strand (participates in β ladder)trans-104.2119.5173.5-56.8-85000107.7P152P152-Y154 HydrophobicContact CB-CE2 4.24Å; P152-Y154 HydrophobicContact CG-CE2 4.43Å
155F63.5Low77.1Confident63 Ų6368.1 Ų68.128%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-92.3-57-178.9-70.5-89.7000110.7I104 I153 Q159I104-F155 HydrophobicContact CD1-CB 4.47Å; I104-F155 HydrophobicContact CD1-CD1 4.32Å; I104-F155 HydrophobicContact CD1-CD2 3.27Å; I104-F155 HydrophobicContact CD1-CE1 4.39Å; I104-F155 HydrophobicContact CD1-CE2 3.36Å; I104-F155 HydrophobicContact CD1-CG 3.77Å; I104-F155 HydrophobicContact CD1-CZ 3.94Å; I153-F155 HydrophobicContact CB-CD2 4.49Å; I153-F155 HydrophobicContact CB-CE2 3.94Å; I153-F155 HydrophobicContact CB-CZ 4.33Å; I153-F155 HydrophobicContact CD1-CE2 4.26Å; I153-F155 HydrophobicContact CD1-CZ 4.05Å; I153-F155 HydrophobicContact CG2-CD2 4.18Å; I153-F155 HydrophobicContact CG2-CE1 4.32Å; I153-F155 HydrophobicContact CG2-CE2 3.83Å; I153-F155 HydrophobicContact CG2-CZ 3.92Å; F155-Q159 HydrophobicContact CB-CB 4.45Å; F155-Q159 PolarHBondContact N-O 2.8Å; F155-Q159 VanDerWaalsContact N-O 3.12Å
156N61.2Low76.4Confident132 Ų13267.3 Ų67.371%0.70634%0.344SS*.EExtended strand (participates in β ladder)trans-167.8128172.8-82.5-34.8000106.1Q159N156-Q159 PolarHBondContact N-O 3.44Å; N156-Q159 WeakPolarHBondContact O-CA 3.44Å; N156-Q159 WeakPolarHBondContact O-CB 3.23Å; N156-Q159 PolarHBondContact O-N 3.15Å
157A58.8Low75.6Confident107 Ų10766.6 Ų66.688%0.88434%0.34SS*.THydrogen-bonded Turntrans-54.9132.1-179.200000110.9
158P64.8Low74.4Confident118 Ų11874.3 Ų74.377%0.76637%0.373SS*.THydrogen-bonded Turncis-93.812.39.337.7-36.1000115.5Y160P158-Y160 WeakPolarHBondContact O-CD1 3.29Å; P158-Y160 PolarHBondContact O-N 3.24Å
159Q65Low72.4Confident76 Ų7677.7 Ų77.736%0.35539%0.394SS..EExtended strand (participates in β ladder)trans-83.5114.1-178.1-60.4178.1-2.400111.7F155 N156F155-Q159 HydrophobicContact CB-CB 4.45Å; F155-Q159 PolarHBondContact N-O 2.8Å; F155-Q159 VanDerWaalsContact N-O 3.12Å; N156-Q159 PolarHBondContact N-O 3.44Å; N156-Q159 WeakPolarHBondContact O-CA 3.44Å; N156-Q159 WeakPolarHBondContact O-CB 3.23Å; N156-Q159 PolarHBondContact O-N 3.15Å
160Y67.4Low70Confident55 Ų5583.4 Ų83.422%0.21642%0.422CS..EExtended strand (participates in β ladder)trans-127.7158.216863.1-77.4000109.9Y103 I153 P158 Y162Y103-Y160 HydrophobicContact CD1-CD2 4.2Å; Y103-Y160 HydrophobicContact CD1-CE1 4.44Å; Y103-Y160 AromaticContact CD1-CE2 3.75Å; Y103-Y160 HydrophobicContact CD1-CE2 3.75Å; Y103-Y160 AromaticContact CD1-CZ 3.89Å; Y103-Y160 HydrophobicContact CE1-CD2 4.09Å; Y103-Y160 AromaticContact CE1-CE1 3.98Å; Y103-Y160 HydrophobicContact CE1-CE1 3.98Å; Y103-Y160 AromaticContact CE1-CE2 3.19Å; Y103-Y160 HydrophobicContact CE1-CE2 3.19Å; Y103-Y160 AromaticContact CE1-CZ 3.13Å; Y103-Y160 WeakPolarHBondContact CE1-OH 3.22Å; Y103-Y160 AromaticContact CZ-CZ 3.57Å; Y103-Y160 PolarHBondContact OH-OH 2.89Å; I153-Y160 WeakPolarHBondContact O-CA 3.26Å; P158-Y160 WeakPolarHBondContact O-CD1 3.29Å; P158-Y160 PolarHBondContact O-N 3.24Å; Y160-Y162 HydrophobicContact CD2-CE2 4.38Å; Y160-Y162 HydrophobicContact CE2-CE2 4.41Å
161G76.5Confident67.5Low1 Ų190.3 Ų90.31%0.0145%0.451CS..EExtended strand (participates in β ladder)trans-148.1-175.6174.800000109.8P152 I153P152-G161 CarbonylContact C-O 3.53Å; P152-G161 WeakPolarHBondContact CA-O 3.32Å; I153-G161 PolarHBondContact N-O 3.18Å; I153-G161 PolarHBondContact O-N 2.85Å
162Y79.4Confident65Low54 Ų5490.8 Ų90.821%0.21247%0.468CS..EExtended strand (participates in β ladder)trans-127.8136.1175.5-63.1-98.4000109.9Y38 N106 I150 R151 P152 Y160Y38-Y162 AromaticContact CD1-CD1 3.86Å; Y38-Y162 HydrophobicContact CD1-CD1 3.86Å; Y38-Y162 HydrophobicContact CD1-CD2 4.29Å; Y38-Y162 AromaticContact CD1-CE1 3.76Å; Y38-Y162 HydrophobicContact CD1-CE1 3.76Å; Y38-Y162 HydrophobicContact CD1-CE2 4.19Å; Y38-Y162 HydrophobicContact CD1-CG 4.13Å; Y38-Y162 AromaticContact CD1-CZ 3.93Å; Y38-Y162 HydrophobicContact CE1-CE1 4.37Å; Y38-Y162 HydrophobicContact CG-CD1 4.43Å; Y38-Y162 HydrophobicContact CG-CG 4.37Å; Y38-Y162 WeakPolarHBondContact O-CB 3.43Å; Y38-Y162 WeakPolarHBondContact O-CD2 3.15Å; N106-Y162 PolarHBondContact ND2-O 3.03Å; I150-Y162 HydrophobicContact CG2-CD1 3.93Å; I150-Y162 HydrophobicContact CG2-CG 4.19Å; R151-Y162 CarbonylContact O-C 3.58Å; R151-Y162 WeakPolarHBondContact O-CA 3.37Å; P152-Y162 HydrophobicContact CB-CD1 4.08Å; P152-Y162 HydrophobicContact CB-CE1 3.94Å; Y160-Y162 HydrophobicContact CD2-CE2 4.38Å; Y160-Y162 HydrophobicContact CE2-CE2 4.41Å
163Q83.2Confident62.6Low64 Ų6493.1 Ų93.130%0.29949%0.486SS..EExtended strand (participates in β ladder)trans-111.1157.4170.861-174.31400111.4Y108 I150 R151 I153 E165Y108-Q163 VanDerWaalsContact OH-CA 3.23Å; Y108-Q163 WeakPolarHBondContact OH-CA 3.08Å; Y108-Q163 VanDerWaalsContact OH-CB 3.29Å; Y108-Q163 WeakPolarHBondContact OH-CB 3.41Å; I150-Q163 CarbonylContact C-O 3.59Å; I150-Q163 WeakPolarHBondContact CA-O 3.46Å; R151-Q163 HydrophobicContact CB-CG 4.45Å; R151-Q163 PolarHBondContact N-O 3.38Å; R151-Q163 PolarHBondContact O-N 3.45Å; I153-Q163 HydrophobicContact CD1-CB 3.36Å; I153-Q163 HydrophobicContact CD1-CG 3.52Å; I153-Q163 VanDerWaalsContact CD1-OE1 3.32Å; I153-Q163 HydrophobicContact CG1-CB 3.91Å; I153-Q163 HydrophobicContact CG1-CG 3.48Å; I153-Q163 VanDerWaalsContact CG1-CG 3.48Å; Q163-E165 HydrophobicContact CG-CG 4.41Å; Q163-E165 PolarHBondContact NE2-OE1 3.26Å
164I82.9Confident60.4Low7 Ų799 Ų994%0.03652%0.518CS..EExtended strand (participates in β ladder)trans-82.8130.1165.1-70.3161.1000109.6I40 W42 Y108 I148 T149 I150 F166I40-I164 HydrophobicContact CD1-CD1 4.45Å; I40-I164 HydrophobicContact CD1-CG1 4.02Å; I40-I164 HydrophobicContact CG2-CD1 4.11Å; W42-I164 HydrophobicContact CH2-CD1 3.43Å; W42-I164 VanDerWaalsContact CH2-CD1 3.43Å; W42-I164 HydrophobicContact CZ2-CD1 3.08Å; W42-I164 HydrophobicContact CZ2-CG1 4.37Å; W42-I164 HydrophobicContact CZ3-CD1 4.4Å; Y108-I164 HydrophobicContact CD1-CD1 4.02Å; Y108-I164 HydrophobicContact CD2-CD1 3.69Å; Y108-I164 HydrophobicContact CE1-CB 3.97Å; Y108-I164 HydrophobicContact CE1-CD1 4.19Å; Y108-I164 HydrophobicContact CE1-CG1 4.49Å; Y108-I164 HydrophobicContact CE2-CB 4.42Å; Y108-I164 HydrophobicContact CE2-CD1 3.84Å; Y108-I164 HydrophobicContact CE2-CG1 4.17Å; Y108-I164 HydrophobicContact CG-CD1 3.76Å; Y108-I164 PolarHBondContact OH-N 3.47Å; I148-I164 HydrophobicContact CB-CG2 4.34Å; I148-I164 HydrophobicContact CG1-CG2 4.04Å; I148-I164 HydrophobicContact CG2-CB 4.41Å; I148-I164 HydrophobicContact CG2-CG1 4.06Å; I148-I164 HydrophobicContact CG2-CG2 3.65Å; T149-I164 CarbonylContact O-C 3.55Å; T149-I164 WeakPolarHBondContact O-CA 3.38Å; I150-I164 HydrophobicContact CG1-CG1 4.4Å; I164-F166 HydrophobicContact CG2-CD2 4.14Å; I164-F166 HydrophobicContact CG2-CE2 3.67Å; I164-F166 HydrophobicContact CG2-CZ 4.07Å
165E83.6Confident58.7Low63 Ų6399.7 Ų99.729%0.29453%0.528SS..EExtended strand (participates in β ladder)trans-114.7142164.6-69-173.817200109T149 R151 Q163T149-E165 PolarHBondContact N-O 2.97Å; T149-E165 PolarHBondContact O-N 3.32Å; T149-E165 VanDerWaalsContact O-O 3.12Å; T149-E165 PolarHBondContact OG1-O 2.95Å; R151-E165 HydrophobicContact CB-CG 4.32Å; R151-E165 WeakPolarHBondContact CD-OE1 2.95Å; R151-E165 WeakPolarHBondContact CD-OE2 3.28Å; R151-E165 IonicContact CZ-OE1 3.71Å; R151-E165 IonicContact NE-OE1 3.74Å; R151-E165 IonicContact NH1-OE1 2.89Å; R151-E165 PolarHBondContact NH1-OE1 3.47Å; R151-E165 IonicContact NH1-OE2 3.64Å; Q163-E165 HydrophobicContact CG-CG 4.41Å; Q163-E165 PolarHBondContact NE2-OE1 3.26Å
166F79.2Confident57.2Low30 Ų30105.1 Ų105.113%0.13255%0.554CS.*EExtended strand (participates in β ladder)trans-93.7132.1173.5-71.8-95.1000109.8I58 W59 I89 H147 I148 I164 K168I58-F166 HydrophobicContact CB-CE2 4.43Å; I58-F166 HydrophobicContact CG2-CD2 3.76Å; I58-F166 HydrophobicContact CG2-CE2 3.8Å; W59-F166 HydrophobicContact CB-CD1 3.82Å; W59-F166 HydrophobicContact CB-CD2 3.63Å; W59-F166 HydrophobicContact CB-CE1 3.7Å; W59-F166 HydrophobicContact CB-CE2 3.52Å; W59-F166 HydrophobicContact CB-CG 3.78Å; W59-F166 HydrophobicContact CB-CZ 3.56Å; W59-F166 AromaticContact CD1-CD1 3.44Å; W59-F166 VanDerWaalsContact CD1-CD1 3.44Å; W59-F166 AromaticContact CD1-CG 3.56Å; W59-F166 AromaticContact CD2-CD1 3.74Å; W59-F166 HydrophobicContact CD2-CD1 3.74Å; W59-F166 AromaticContact CD2-CE1 3.6Å; W59-F166 HydrophobicContact CD2-CE1 3.6Å; W59-F166 HydrophobicContact CD2-CG 4.5Å; W59-F166 HydrophobicContact CD2-CZ 4.29Å; W59-F166 AromaticContact CE2-CD1 3.94Å; W59-F166 AromaticContact CE3-CE1 3.94Å; W59-F166 HydrophobicContact CE3-CE1 3.94Å; W59-F166 HydrophobicContact CE3-CZ 4.48Å; W59-F166 HydrophobicContact CG-CB 4.45Å; W59-F166 AromaticContact CG-CD1 3.4Å; W59-F166 HydrophobicContact CG-CD1 3.4Å; W59-F166 VanDerWaalsContact CG-CD1 3.4Å; W59-F166 HydrophobicContact CG-CD2 4.09Å; W59-F166 AromaticContact CG-CE1 3.52Å; W59-F166 HydrophobicContact CG-CE1 3.52Å; W59-F166 HydrophobicContact CG-CE2 4.2Å; W59-F166 AromaticContact CG-CG 3.7Å; W59-F166 HydrophobicContact CG-CG 3.7Å; W59-F166 AromaticContact CG-CZ 3.94Å; W59-F166 HydrophobicContact CG-CZ 3.94Å; W59-F166 AromaticContact NE1-CD1 3.76Å; I89-F166 HydrophobicContact CB-CE2 4.38Å; I89-F166 HydrophobicContact CB-CZ 3.79Å; I89-F166 HydrophobicContact CD1-CE1 3.73Å; I89-F166 HydrophobicContact CD1-CZ 3.43Å; I89-F166 VanDerWaalsContact CD1-CZ 3.43Å; I89-F166 HydrophobicContact CG1-CZ 4.15Å; I89-F166 HydrophobicContact CG2-CE2 4.11Å; I89-F166 HydrophobicContact CG2-CZ 3.77Å; H147-F166 HydrophobicContact CB-CD1 4.31Å; H147-F166 CarbonylContact O-C 3.59Å; H147-F166 VanDerWaalsContact O-CA 3.22Å; H147-F166 WeakPolarHBondContact O-CA 3.5Å; I148-F166 HydrophobicContact CD1-CE1 3.88Å; I148-F166 HydrophobicContact CD1-CZ 4.06Å; I148-F166 HydrophobicContact CG1-CD1 3.88Å; I148-F166 HydrophobicContact CG1-CE1 3.32Å; I148-F166 HydrophobicContact CG1-CZ 3.69Å; I164-F166 HydrophobicContact CG2-CD2 4.14Å; I164-F166 HydrophobicContact CG2-CE2 3.67Å; I164-F166 HydrophobicContact CG2-CZ 4.07Å; F166-K168 PolarHBondContact O-N 3.48Å
167L74.9Confident55.7Low95 Ų95110.9 Ų110.950%0.49757%0.566SS.*  trans-59.5104.6169.9-69.7173.8000107.9H147 T149 T169H147-L167 PolarHBondContact O-N 3.46Å; T149-L167 HydrophobicContact CG2-CD1 4.2Å; T149-L167 HydrophobicContact CG2-CD2 3.78Å; T149-L167 HydrophobicContact CG2-CG 3.8Å; L167-T169 PolarHBondContact O-N 2.77Å
168K62Low54.7Low185 Ų185111.2 Ų111.280%0.80456%0.562SS**  trans-56.2111.5163.2-72.7-174.5-179.7-1780105.1F166 L170F166-K168 PolarHBondContact O-N 3.48Å; K168-L170 PolarHBondContact O-N 2.93Å
169T46.4Very low53.1Low86 Ų86114.4 Ų114.453%0.52857%0.567SS.*  trans-52.7106.6179.830.60000108.9L167 F171L167-T169 PolarHBondContact O-N 2.77Å; T169-F171 PolarHBondContact O-N 3.48Å
170L34.2Very low51.7Low171 Ų171118.4 Ų118.490%0.89559%0.59SS**  trans-71.124.4171.1-97.6156.7000112.3K168K168-L170 PolarHBondContact O-N 2.93Å
171F32.2Very low50Low189 Ų189125.8 Ų125.883%0.82962%0.623SS**  trans-112.571.9-176.7-81.9-81.4000111.1T169T169-F171 PolarHBondContact O-N 3.48Å
172T28Very low48.2Very low143 Ų143133.9 Ų133.988%0.87766%0.661SS**  trans-152.574.5153.950.50000110.9
173S28.4Very low46Very low101 Ų101137 Ų13771%0.70669%0.686SS**SBendtrans-143.5117.2144.663.20000106.3
174N27.4Very low43.8Very low159 Ų159139.1 Ų139.185%0.8570%0.698SS**SBendtrans93.456.1-179.3-46.2-27.5000116.3
175Q34.3Very low41.4Very low194 Ų194142.6 Ų142.691%0.90772%0.719SS**  trans-151.4134.6139.8-120.2167.56.200111.3
176Q31.4Very low38.9Very low178 Ų178146.8 Ų146.883%0.83274%0.737SS**  trans-65.3131.7-162.2-69.8149.4-49.900113.2S178Q176-S178 PolarHBondContact O-N 3.35Å
177R28.8Very low36.8Very low252 Ų252151.1 Ų151.195%0.95176%0.76SS**  36.779115.6-139.2-179.4-164179.83.7114.6
178S38.2Very low34.8Very low115 Ų115153 Ų15380%0.80477%0.771SS**  trans-148.2134145.662.40000109.6Q176 N180Q176-S178 PolarHBondContact O-N 3.35Å; S178-N180 PolarHBondContact O-N 3.19Å
179E30.7Very low33.5Very low185 Ų185148.9 Ų148.986%0.86477%0.765SS**  trans-67.2120.2-170.9-63.3159.6157.600110
180N36.5Very low32.8Very low160 Ų160152.2 Ų152.286%0.85678%0.775SS**  trans-162.5124.7143.3-90.7-35.8000109S178 E182S178-N180 PolarHBondContact O-N 3.19Å; N180-E182 PolarHBondContact O-N 2.93Å
181K31Very low32.7Very low209 Ų209151.4 Ų151.491%0.90977%0.77SS**  trans-63.288.3-177.7-70.2171175174.40110.7T183K181-T183 PolarHBondContact O-N 3.21Å
182E39.4Very low32.5Very low172 Ų172151.9 Ų151.980%0.80477%0.766SS**  trans-77.6112.6160.2-80-169.9157.400108.7N180 I184N180-E182 PolarHBondContact O-N 2.93Å; E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 2.86Å
183T33.3Very low32.6Very low119 Ų119150 Ų15073%0.7376%0.759SS**  trans-75.288.1172.9-51.50000107.7K181 V185K181-T183 PolarHBondContact O-N 3.21Å; T183-V185 HydrophobicContact CG2-CG2 4.1Å; T183-V185 PolarHBondContact O-N 2.74Å
184I37.9Very low32.9Very low109 Ų109151.5 Ų151.556%0.55976%0.759SS**  trans-76.2101.8167.8-53.6174.4000106.6E182 F186E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 2.86Å; I184-F186 HydrophobicContact CB-CD2 4.08Å; I184-F186 HydrophobicContact CB-CE2 3.73Å; I184-F186 HydrophobicContact CB-CZ 4.46Å; I184-F186 HydrophobicContact CD1-CE2 4.36Å; I184-F186 HydrophobicContact CG2-CD1 4.46Å; I184-F186 HydrophobicContact CG2-CD2 3.54Å; I184-F186 HydrophobicContact CG2-CE1 4.21Å; I184-F186 HydrophobicContact CG2-CE2 3.23Å; I184-F186 HydrophobicContact CG2-CG 4.17Å; I184-F186 HydrophobicContact CG2-CZ 3.6Å; I184-F186 PolarHBondContact O-N 2.93Å; I184-F186 VanDerWaalsContact O-N 3.14Å
185V31.8Very low33.1Very low79 Ų79150.8 Ų150.848%0.47976%0.755SS.*  trans-7697169.2-179.90000107.2T183 F211T183-V185 HydrophobicContact CG2-CG2 4.1Å; T183-V185 PolarHBondContact O-N 2.74Å; V185-F211 HydrophobicContact CB-CD2 4.49Å; V185-F211 HydrophobicContact CG2-CD2 4.05Å
186F31.6Very low33.1Very low151 Ų151148.5 Ų148.566%0.66275%0.749SS**  trans-76.8118.2168.5-75.4-85.5000108.9I184 D188I184-F186 HydrophobicContact CB-CD2 4.08Å; I184-F186 HydrophobicContact CB-CE2 3.73Å; I184-F186 HydrophobicContact CB-CZ 4.46Å; I184-F186 HydrophobicContact CD1-CE2 4.36Å; I184-F186 HydrophobicContact CG2-CD1 4.46Å; I184-F186 HydrophobicContact CG2-CD2 3.54Å; I184-F186 HydrophobicContact CG2-CE1 4.21Å; I184-F186 HydrophobicContact CG2-CE2 3.23Å; I184-F186 HydrophobicContact CG2-CG 4.17Å; I184-F186 HydrophobicContact CG2-CZ 3.6Å; I184-F186 PolarHBondContact O-N 2.93Å; I184-F186 VanDerWaalsContact O-N 3.14Å; F186-D188 PolarHBondContact O-N 2.82Å
187I35.2Very low33.1Very low121 Ų121144.9 Ų144.962%0.62174%0.743SS**  trans-85.8100.5161.2-59.9174.3000105.6S189I187-S189 PolarHBondContact O-N 3.2Å
188D32.1Very low33.1Very low136 Ų136141.9 Ų141.973%0.72774%0.74SS**  trans-68.495.2168.5-92.9-21.5000108.6F186 Q190F186-D188 PolarHBondContact O-N 2.82Å; D188-Q190 VanDerWaalsContact C-N 3.35Å; D188-Q190 PolarHBondContact O-N 3.1Å; D188-Q190 VanDerWaalsContact O-N 3.14Å
189S33.9Very low32.7Very low97 Ų97142.6 Ų142.668%0.67874%0.74SS**  trans-7593158.246.30000108I187 I191I187-S189 PolarHBondContact O-N 3.2Å; S189-I191 PolarHBondContact O-N 3.42Å
190Q31.9Very low32.8Very low157 Ų157142.6 Ų142.673%0.73474%0.737SS**  trans-64.997.3168-75.2-167.823.500109.3D188 R192D188-Q190 VanDerWaalsContact C-N 3.35Å; D188-Q190 PolarHBondContact O-N 3.1Å; D188-Q190 VanDerWaalsContact O-N 3.14Å; Q190-R192 VanDerWaalsContact C-N 3.27Å; Q190-R192 PolarHBondContact O-N 3.24Å
191I31.9Very low32.5Very low154 Ų154143.1 Ų143.179%0.7973%0.732SS**  trans-75.987.1161.8-58176000106.4S189 S193S189-I191 PolarHBondContact O-N 3.42Å; I191-S193 PolarHBondContact O-N 3.27Å
192R29.8Very low32.7Very low199 Ų199139.6 Ų139.675%0.75172%0.719SS**  trans-88.593.9170.7-149.1176.8-170-173.93.1107.6Q190 N194Q190-R192 VanDerWaalsContact C-N 3.27Å; Q190-R192 PolarHBondContact O-N 3.24Å; R192-N194 PolarHBondContact O-N 3.32Å; R192-N194 VanDerWaalsContact O-N 3.13Å
193S29.6Very low32.4Very low104 Ų104138.6 Ų138.673%0.72772%0.717SS**  trans-67.3104.1168.854.80000108.4I191I191-S193 PolarHBondContact O-N 3.27Å
194N33.3Very low32.3Very low131 Ų131141.3 Ų141.370%0.70172%0.715SS**  trans-94.7121.2158-97.211.7000106.8R192R192-N194 PolarHBondContact O-N 3.32Å; R192-N194 VanDerWaalsContact O-N 3.13Å
195D32.2Very low32.3Very low144 Ų144139.8 Ų139.877%0.7771%0.713SS**  trans-54.7141.9160.5-72.1-40.4000109
196N34.1Very low32.5Very low146 Ų146144.1 Ų144.178%0.78173%0.73SS**SBendtrans94.5110172-48-31.4000116.1
197S32.2Very low32.9Very low102 Ų102145.4 Ų145.471%0.71374%0.738SS**SBendtrans58.7113.7147.361.30000118.7
198E28.7Very low33.5Very low189 Ų189142.4 Ų142.488%0.88373%0.725SS**  trans43.986139.5-63.8-176.6160.500117.3
199T30.6Very low33.9Very low130 Ų130141.2 Ų141.280%0.79872%0.719SS**  trans-167.1129.6138.90.60000111.8K201T199-K201 PolarHBondContact O-N 3.21Å
200F32.7Very low34.6Very low186 Ų186145.8 Ų145.882%0.81673%0.726SS**  trans-52.2125.3168.7-77.6-102.8000110.1
201K30.3Very low35.1Very low171 Ų171140.7 Ų140.774%0.74370%0.702SS**  trans-105.7101165.5-73.2-175.6-179.1176.30108.7T199T199-K201 PolarHBondContact O-N 3.21Å
202E33.6Very low35.6Very low135 Ų135134.5 Ų134.563%0.63167%0.67SS**  trans-55.5127.8165.7-165.4170.9-15500109.2Y204E202-Y204 HydrophobicContact CB-CD2 4.47Å; E202-Y204 HydrophobicContact CB-CE2 3.94Å; E202-Y204 HydrophobicContact CG-CE2 4.26Å; E202-Y204 WeakPolarHBondContact O-CD2 3.35Å; E202-Y204 PolarHBondContact O-N 3.14Å; E202-Y204 PolarHBondContact OE2-OH 3.46Å
203I34.1Very low36.3Very low150 Ų150130 Ų13077%0.76966%0.661SS**  trans-80.6102.8175.7-60.3173.6000106.8
204Y31.2Very low37.1Very low176 Ų176128.5 Ų128.569%0.6965%0.65SS**PPolyproline II helixtrans-79.7130173.2-71.2-86.1000110.3E202 M206E202-Y204 HydrophobicContact CB-CD2 4.47Å; E202-Y204 HydrophobicContact CB-CE2 3.94Å; E202-Y204 HydrophobicContact CG-CE2 4.26Å; E202-Y204 WeakPolarHBondContact O-CD2 3.35Å; E202-Y204 PolarHBondContact O-N 3.14Å; E202-Y204 PolarHBondContact OE2-OH 3.46Å; Y204-M206 PolarHBondContact O-N 3.02Å
205P38.1Very low37.6Very low77 Ų77125.7 Ų125.750%0.564%0.635SS.*PPolyproline II helixtrans-74.4117.9174.427.6-29.9000110.6N55N55-P205 HydrophobicContact CB-CB 4.5Å
206M36.4Very low38.1Very low171 Ų171126.3 Ų126.384%0.84263%0.631SS**PPolyproline II helixtrans-84.5149.8166.8-116.2-176.791.100110.7Y204Y204-M206 PolarHBondContact O-N 3.02Å
207E39.5Very low38.3Very low178 Ų178126.1 Ų126.183%0.83263%0.625SS**  trans-31.3118.1-167.9-63174.5163.900118
208T47.1Very low38.6Very low58 Ų58125.5 Ų125.536%0.35662%0.619SS.*  trans-987.3-172.4150000115.3K210T208-K210 PolarHBondContact O-N 2.88Å
209D39.8Very low39.2Very low111 Ų111122.1 Ų122.159%0.59462%0.616SS**Hα-helixtrans-73.4-26.9-164-70-27.8000115.1F211 N213D209-F211 PolarHBondContact O-N 2.97Å; D209-N213 PolarHBondContact O-N 2.77Å; D209-N213 PolarHBondContact O-ND2 2.86Å
210K49.5Very low39.5Very low192 Ų192123.5 Ų123.584%0.83561%0.614SS**Hα-helixtrans-71.4-31.2-179.9-73.9-178.9-179.6173.30113.6T208T208-K210 PolarHBondContact O-N 2.88Å
211F41.4Very low39.6Very low51 Ų51122.4 Ų122.422%0.22462%0.617CS.*Hα-helixtrans-77.5-33.6-178.7-175.8-107.4000112.5L57 F88 V185 D209 N213 S214 L215L57-F211 HydrophobicContact CD2-CE1 4.27Å; L57-F211 HydrophobicContact CD2-CZ 4.29Å; F88-F211 HydrophobicContact CE1-CE1 4.3Å; F88-F211 HydrophobicContact CE1-CZ 4.03Å; V185-F211 HydrophobicContact CB-CD2 4.49Å; V185-F211 HydrophobicContact CG2-CD2 4.05Å; D209-F211 PolarHBondContact O-N 2.97Å; F211-N213 VanDerWaalsContact C-N 3.32Å; F211-N213 PolarHBondContact O-N 2.87Å; F211-S214 PolarHBondContact O-N 2.72Å; F211-S214 PolarHBondContact O-OG 2.97Å; F211-L215 HydrophobicContact CD1-CD1 3.78Å; F211-L215 HydrophobicContact CE1-CD1 3.33Å; F211-L215 HydrophobicContact CE1-CG 4.39Å; F211-L215 HydrophobicContact CE2-CD1 4.47Å; F211-L215 HydrophobicContact CZ-CD1 3.74Å; F211-L215 HydrophobicContact CZ-CG 4.46Å; F211-L215 PolarHBondContact O-N 2.8Å
212I43.4Very low40Very low23 Ų23119.4 Ų119.412%0.11862%0.617CS.*Hα-helixtrans-68.6-36.3177.9-62.3175.9000110.7K54 S214 L215 K216K54-I212 HydrophobicContact CD-CD1 4.41Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 2.82Å; I212-L215 PolarHBondContact O-N 2.87Å; I212-K216 HydrophobicContact CG2-CD 3.95Å; I212-K216 HydrophobicContact CG2-CG 4.39Å; I212-K216 WeakPolarHBondContact O-CG 3.35Å; I212-K216 PolarHBondContact O-N 2.95Å; I212-K216 VanDerWaalsContact O-N 3.14Å
213N44Very low40.2Very low105 Ų105122.8 Ų122.856%0.56163%0.629SS**Hα-helixtrans-69.7-30.1179.7-71.2-20000112.8D209 F211 Q217D209-N213 PolarHBondContact O-N 2.77Å; D209-N213 PolarHBondContact O-ND2 2.86Å; F211-N213 VanDerWaalsContact C-N 3.32Å; F211-N213 PolarHBondContact O-N 2.87Å; N213-Q217 WeakPolarHBondContact O-CG 3.46Å
214S47.5Very low40.2Very low72 Ų72121.1 Ų121.150%0.50363%0.631SS.*Hα-helixtrans-77.4-25.7174.960.90000113.5F211 I212F211-S214 PolarHBondContact O-N 2.72Å; F211-S214 PolarHBondContact O-OG 2.97Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 2.82Å
215L42.3Very low40.5Very low73 Ų73120.6 Ų120.638%0.38264%0.639SS.*Hα-helixtrans-83.7-24.4177.2-74.6171.3000113.9F88 F211 I212F88-L215 HydrophobicContact CE1-CD1 4.34Å; F88-L215 HydrophobicContact CZ-CD1 4.41Å; F88-L215 HydrophobicContact CZ-CD2 4.29Å; F211-L215 HydrophobicContact CD1-CD1 3.78Å; F211-L215 HydrophobicContact CE1-CD1 3.33Å; F211-L215 HydrophobicContact CE1-CG 4.39Å; F211-L215 HydrophobicContact CE2-CD1 4.47Å; F211-L215 HydrophobicContact CZ-CD1 3.74Å; F211-L215 HydrophobicContact CZ-CG 4.46Å; F211-L215 PolarHBondContact O-N 2.8Å; I212-L215 PolarHBondContact O-N 2.87Å
216K43.9Very low40.4Very low156 Ų156126.3 Ų126.368%0.67866%0.656SS**SBendtrans-89.5-8.7-179.9-74.6-175.8177.4-177.10114.6I212 P218I212-K216 HydrophobicContact CG2-CD 3.95Å; I212-K216 HydrophobicContact CG2-CG 4.39Å; I212-K216 WeakPolarHBondContact O-CG 3.35Å; I212-K216 PolarHBondContact O-N 2.95Å; I212-K216 VanDerWaalsContact O-N 3.14Å; K216-P218 WeakPolarHBondContact O-CD 3.43Å
217Q39Very low40.2Very low142 Ų142123.6 Ų123.666%0.66465%0.654SS**  trans-85.5109.2179.5-72.1-92.5-21.800109.3N213N213-Q217 WeakPolarHBondContact O-CG 3.46Å
218P36.5Very low40.2Very low90 Ų90121.1 Ų121.158%0.58465%0.653SS**  trans-59141.5163.626.3-31.5000108.2K216 E220K216-P218 WeakPolarHBondContact O-CD 3.43Å; P218-E220 VanDerWaalsContact C-N 3.27Å; P218-E220 PolarHBondContact O-N 3.1Å
219S43.1Very low39.8Very low118 Ų118127.7 Ų127.783%0.82568%0.676SS**  trans-63.890.1173.157.90000109.6N221S219-N221 PolarHBondContact O-N 3.12Å
220E36.2Very low39.8Very low158 Ų158130.3 Ų130.374%0.73869%0.691SS**  trans-72.979.1168.8-72.6-173.8168.400108.9P218P218-E220 VanDerWaalsContact C-N 3.27Å; P218-E220 PolarHBondContact O-N 3.1Å
221N35.2Very low39.1Very low164 Ų164128.8 Ų128.888%0.87769%0.691SS**  trans-120.164.9161.2-89.8-17.2000108.3S219S219-N221 PolarHBondContact O-N 3.12Å
222S38.6Very low39Very low107 Ų107131.1 Ų131.175%0.74871%0.712SS**  trans-110.4100.2159.153.90000108.1S224S222-S224 PolarHBondContact O-N 2.95Å
223K36.9Very low38.7Very low206 Ų206137.2 Ų137.290%0.89674%0.744SS**PPolyproline II helixtrans-54.2123.4169.8-76.1177.4176.8177.20108.7I225K223-I225 PolarHBondContact O-N 2.98Å
224S33.9Very low38.4Very low116 Ų116138.5 Ų138.581%0.81175%0.751SS**PPolyproline II helixtrans-55.1116.5169.953.90000110.7S222S222-S224 PolarHBondContact O-N 2.95Å
225I37.5Very low37.9Very low165 Ų165142.6 Ų142.685%0.84676%0.762SS**PPolyproline II helixtrans-103.3124.4163.3-64.2179.1000107.6K223K223-I225 PolarHBondContact O-N 2.98Å
226K37.3Very low37.7Very low196 Ų196147.9 Ų147.985%0.85279%0.785SS**PPolyproline II helixtrans-62.1132-178.7-64.8172.2176.9177.30110.8
227S32.6Very low37.3Very low115 Ų115145.2 Ų145.280%0.80479%0.786SS**PPolyproline II helixtrans-74136.6164.725.50000110.7
228P39.2Very low37.3Very low125 Ų125145 Ų14581%0.81279%0.794SS**PPolyproline II helixtrans-87.2137.8161.53.116.1000110.4
229K37.5Very low37.2Very low196 Ų196147 Ų14785%0.85280%0.8SS**PPolyproline II helixtrans-48.3141.9173.8-63.4168.5174.2179.60112.6
230N39.4Very low37Very low167 Ų167152.3 Ų152.389%0.89380%0.803SS**  trans-152.5115.3142.6-85.1-27.5000107.6
231D36.1Very low36.9Very low159 Ų159151.3 Ų151.385%0.8580%0.803SS**  trans-93.9163.2171.2-98.1-30.4000109.9
232P38.6Very low37.1Very low101 Ų101151.2 Ų151.266%0.65680%0.797SS**  trans-120-165.1-132.437.2-22.1000114.4
233L38Very low37.1Very low151 Ų151154.2 Ų154.279%0.79180%0.797SS**  trans93.6137.8169.2-50.3166.3000113.2
234N37.5Very low37.2Very low131 Ų131154.3 Ų154.370%0.70179%0.792SS**  cis-160.4168.610-133.79.1000109.9
235E37.2Very low37.6Very low159 Ų159154.9 Ų154.974%0.74379%0.785SS**  trans-48.7148177.8-58.7161.1146.900116.6
236E38.5Very low37.8Very low183 Ų183153.4 Ų153.486%0.85578%0.779SS**  171.8149.5101.8-92.9-173.3161.500112.3
237S35.3Very low38.1Very low101 Ų101149 Ų14971%0.70677%0.773SS**  trans-58.5158.1-177.850.90000116.2
238V38.4Very low38.6Very low136 Ų136148.6 Ų148.682%0.82477%0.766SS**  174.7134.8114.8160.10000110.5
239N35.1Very low38.7Very low134 Ų134149.8 Ų149.872%0.71776%0.761SS**  trans-71.6150.1176.4-160.83.5000111.1
240Y37.2Very low39Very low228 Ų228146.2 Ų146.289%0.89475%0.751SS**  trans177.8137133.5-109.5-82.1000113.4
241N35.1Very low39.4Very low137 Ų137145.8 Ų145.873%0.73374%0.744SS**  trans-75.1162.3170.5-88.7-50.5000113.1
242Q39.3Very low39.7Very low163 Ų163143 Ų14376%0.76274%0.737SS**  trans86.6120.7145.3-89.3176.8-400121.6
243K38.9Very low40.1Very low169 Ų169147.5 Ų147.574%0.73575%0.749SS**  trans88.9128.7131.4-87.6175.8176.8170.70120.4
244R38.5Very low40.4Very low209 Ų209145.2 Ų145.279%0.78974%0.743SS**  trans90.9104.7140.2-88-175.6179.1169.8-0.6118.9
245N41.4Very low40.5Very low127 Ų127144.1 Ų144.168%0.67975%0.745SS**  73.8132.6112-73.416000120.8
246N42.5Very low40.7Very low134 Ų134141.7 Ų141.772%0.71774%0.742SS**  trans83.7111.4147.2-61.2-3.1000114.2
247S44.7Very low40.6Very low104 Ų104139.6 Ų139.673%0.72774%0.736SS**  99.5133.792.358.70000108
248T41.3Very low40.8Very low106 Ų106139.5 Ų139.565%0.6573%0.732SS**  cis-177.2157.16.1-78.70000104.6
249E42.4Very low40.8Very low151 Ų151140.9 Ų140.971%0.70673%0.729SS**  trans72.2114.5153.6-83164.9-164.200119.7
250N44.6Very low40.8Very low121 Ų121142.5 Ų142.565%0.64773%0.732SS**  104.7138101.2-79.8-15.6000108.2
251Q46.9Very low40.8Very low157 Ų157140.7 Ų140.773%0.73473%0.729SS**  cis-168.216410.5-111.5163.818.100108.3
252S43.3Very low40.9Very low101 Ų101140 Ų14071%0.70674%0.735SS**  trans7989.6143.958.90000121.4
253H46.6Very low40.6Very low196 Ų196137.8 Ų137.891%0.90774%0.737SS**  52.6149.7109.9-82.5-69.5000124.9
254P44.3Very low40.4Very low102 Ų102139.2 Ų139.266%0.66275%0.747SS**  trans-114.5174.6-156.345.2-35.3000113.5
255S39.3Very low40.1Very low108 Ų108138.1 Ų138.176%0.75575%0.75SS**  trans179.1148153.94.90000106.7
256T40.3Very low39.6Very low109 Ų109140 Ų14067%0.66976%0.76SS**  cis179144.73.518.30000105.4
257N36.4Very low39.1Very low139 Ų139139.8 Ų139.874%0.74376%0.764SS**  trans61.7148.3136.2-50.1-11.2000117.9
258T39.2Very low38.6Very low99 Ų99143.3 Ų143.361%0.60777%0.768SS**  cis-169.2154.713.3-12.40000106.6
259E38.4Very low38.3Very low164 Ų164146.5 Ų146.577%0.76678%0.781SS**  trans52.5134.9139.3-71.6156.5-173.900119.2
260E36.9Very low38Very low169 Ų169145.6 Ų145.679%0.7978%0.781SS**  cis-173159.145.4-136.1168.1-168.500111.7
261K36.1Very low37.9Very low190 Ų190147.3 Ų147.383%0.82679%0.791SS**  trans-40.7147.6179-64.5153.5176.2166.60117.7
262S37.9Very low37.5Very low122 Ų122148 Ų14885%0.85379%0.794SS**  -171.3127.7113.256.80000112.2
263S32.5Very low37.2Very low117 Ų117151.4 Ų151.482%0.81880%0.799SS**  trans-81.8144.6-179.9-41.60000112.1
264E35.4Very low36.8Very low199 Ų199147.5 Ų147.593%0.9379%0.789SS**  trans-149.5123.6150-111.6173.1-164.300110.3
265Q31.3Very low36.3Very low185 Ų185149 Ų14986%0.86479%0.789SS**  trans-80.1142-178-70.3167.2-56.700111
266L31.5Very low36.1Very low167 Ų167151.3 Ų151.387%0.87479%0.79SS**  trans-157.8101.6145.1-122.7117.3000112.4
267T32.2Very low35.8Very low130 Ų130152 Ų15280%0.79879%0.794SS**  trans29.1112.6145.444.10000121
268Q33.4Very low35.5Very low177 Ų177148.1 Ų148.183%0.82779%0.788SS**  trans-80.1131.7162.5-103168.5-54.700111.9
269D36Very low35.2Very low173 Ų173149.7 Ų149.793%0.92579%0.792SS**  trans-83.6116.5163-95.4-27.9000109.6
270N36.2Very low34.9Very low132 Ų132151.6 Ų151.671%0.70680%0.798SS**  trans-87.6112.5-178.8-71.7-27.7000111.5
271N41.2Very low34.5Very low158 Ų158151.1 Ų151.185%0.84580%0.8SS**  trans-85.3108.6154.7-79.5-33.2000107.5E273N271-E273 PolarHBondContact O-N 2.99Å
272E39.6Very low34.4Very low170 Ų170148.5 Ų148.579%0.79480%0.795SS**  trans-71109.6177.5-76.4178.5153.500111.1
273E36.5Very low34Very low173 Ų173149.8 Ų149.881%0.80879%0.792SS**  trans-81.4103.6167.1-161.4175.2-156.600108.2N271 I275N271-E273 PolarHBondContact O-N 2.99Å; E273-I275 PolarHBondContact O-N 2.85Å
274V37.5Very low34.1Very low115 Ų115153.6 Ų153.670%0.69780%0.799SS**  trans-83.2100.2-179.1179.60000110.1M276V274-M276 HydrophobicContact CG1-CG 4.26Å; V274-M276 HydrophobicContact CG1-SD 4.5Å
275I34.3Very low33.8Very low132 Ų132149.9 Ų149.968%0.67779%0.791SS**  trans-80109.6166.5-60.6175000108.7E273 T277E273-I275 PolarHBondContact O-N 2.85Å; I275-T277 PolarHBondContact O-N 3.08Å; I275-T277 VanDerWaalsContact O-N 3.13Å
276M34.9Very low34Very low158 Ų158149.6 Ų149.678%0.77879%0.786SS**  trans-80.686.4178.3-79-77.2-79.100112.3V274V274-M276 HydrophobicContact CG1-CG 4.26Å; V274-M276 HydrophobicContact CG1-SD 4.5Å
277T34.7Very low34.1Very low123 Ų123148.2 Ų148.276%0.75578%0.78SS**  trans-97.6114.3159.743.80000110.3I275I275-T277 PolarHBondContact O-N 3.08Å; I275-T277 VanDerWaalsContact O-N 3.13Å
278G29Very low34.2Very low58 Ų58150.1 Ų150.160%0.59879%0.786SS**  trans-79.4136.8178.900000112.7
279N33.2Very low34.2Very low132 Ų132146.4 Ų146.471%0.70679%0.785SS**  trans160.7117132.1-84.7-17.4000110.2
280K32.8Very low34.3Very low203 Ų203144.2 Ų144.288%0.88377%0.773SS**  trans141106135.4-82.6179.1173.1178.80111.6
281L28.4Very low34.2Very low160 Ų160143.3 Ų143.384%0.83878%0.775SS**  trans-59.8130.9151.3-85.889.9000108.5
282N33Very low34.1Very low135 Ų135143.4 Ų143.472%0.72277%0.774SS**  176.6133.3118-86.6-14.2000110.7
283N30.6Very low34Very low149 Ų149142.8 Ų142.880%0.79778%0.776SS**  trans61100.5153.3-58.9-14.7000118.2
284M34.1Very low33.9Very low196 Ų196143.5 Ų143.597%0.96678%0.776SS**  trans-156.3118.8132.1-114.5171.6157.100112.5
285T30.1Very low33.8Very low122 Ų122147.5 Ų147.575%0.74878%0.784SS**  trans-62.6154.1170.8250000114.2
286K34.9Very low33.7Very low178 Ų178149.5 Ų149.577%0.77479%0.79SS**  trans85.9124.7147.8-77.6171.3-178.8-179.10118.8
287N33.3Very low33.5Very low139 Ų139148.2 Ų148.274%0.74379%0.792SS**  trans81.598.6148.3-54.4-15.2000116.4
288D33.8Very low33.5Very low170 Ų170148 Ų14891%0.90979%0.79SS**  -16991.4127.5-87.3-24.8000108.4
289A34.4Very low33.5Very low99 Ų99150 Ų15082%0.81880%0.795SS**  trans-86.4108.4173.700000108.8
290D37Very low33.5Very low126 Ų126150.4 Ų150.467%0.67480%0.796SS**  trans-65.3120.8173-160.8-12.1000110.2L292D290-L292 VanDerWaalsContact C-N 3.25Å; D290-L292 PolarHBondContact O-N 2.94Å; D290-L292 VanDerWaalsContact O-N 3.1Å
291P35.7Very low33.5Very low114 Ų114150.1 Ų150.174%0.7480%0.795SS**THydrogen-bonded Turntrans-75.57.3-169.1-15.129.8000116.5
292L39.1Very low33.7Very low159 Ų159151.4 Ų151.483%0.83279%0.794SS**THydrogen-bonded Turntrans-114.615.6-167.6-74.8169.1000116.4D290D290-L292 VanDerWaalsContact C-N 3.25Å; D290-L292 PolarHBondContact O-N 2.94Å; D290-L292 VanDerWaalsContact O-N 3.1Å
293L38Very low33.9Very low158 Ų158148.9 Ų148.983%0.82779%0.785SS**  trans-107.458.5169.4-91.4152.4000111.1K295L293-K295 PolarHBondContact O-N 3.32Å
294K34.4Very low34.2Very low187 Ų187147.7 Ų147.781%0.81379%0.785SS**  trans-71.5111.7157.8-81.2-174.8178.4178.80107.2E296K294-E296 VanDerWaalsContact C-N 3.26Å; K294-E296 PolarHBondContact O-N 3.32Å
295K33.9Very low34.4Very low200 Ų200147.2 Ų147.287%0.8778%0.781SS**  trans-52.491163.5-83.9177.7171177.10108.7L293 T297L293-K295 PolarHBondContact O-N 3.32Å; K295-T297 PolarHBondContact O-N 3.19Å
296E32.3Very low34.6Very low173 Ų173144.5 Ų144.581%0.80877%0.766SS**  trans-78.2103155.2-81.5-172.816400106.8K294 V298K294-E296 VanDerWaalsContact C-N 3.26Å; K294-E296 PolarHBondContact O-N 3.32Å; E296-V298 VanDerWaalsContact C-N 3.32Å; E296-V298 PolarHBondContact O-N 3.45Å
297T31.7Very low35.3Very low131 Ų131140.9 Ų140.980%0.80476%0.758SS**  trans-60.798.9164.8-32.80000106.5K295 S299K295-T297 PolarHBondContact O-N 3.19Å; T297-S299 VanDerWaalsContact C-N 3.26Å; T297-S299 PolarHBondContact O-N 3.48Å
298V33.2Very low35.6Very low118 Ų118142.6 Ų142.672%0.71576%0.762SS**  trans-65.994.3170.9179.70000106.7E296 L300E296-V298 VanDerWaalsContact C-N 3.32Å; E296-V298 PolarHBondContact O-N 3.45Å; V298-L300 PolarHBondContact O-N 3.23Å; V298-L300 VanDerWaalsContact O-N 3.08Å
299S30.3Very low36Very low100 Ų100141.2 Ų141.270%0.69975%0.753SS**  trans-69.8100.7167.3-174.10000106.9T297 K301T297-S299 VanDerWaalsContact C-N 3.26Å; T297-S299 PolarHBondContact O-N 3.48Å; S299-K301 VanDerWaalsContact C-N 3.29Å; S299-K301 PolarHBondContact O-N 3.18Å
300L31.7Very low36.4Very low142 Ų142139.6 Ų139.674%0.74373%0.729SS**  trans-61.596165.8-77.2162.1000107V298 F302V298-L300 PolarHBondContact O-N 3.23Å; V298-L300 VanDerWaalsContact O-N 3.08Å; L300-F302 PolarHBondContact O-N 3.33Å
301K34.2Very low36.7Very low196 Ų196135.9 Ų135.985%0.85271%0.713SS**  trans-62.1110.1164.7-80.8-175.3176.7-1790106.8S299S299-K301 VanDerWaalsContact C-N 3.29Å; S299-K301 PolarHBondContact O-N 3.18Å
302F32.9Very low37Very low187 Ų187134.6 Ų134.682%0.8270%0.702SS**PPolyproline II helixtrans-54.2140.9167.7-72.3-84.7000109.1L300L300-F302 PolarHBondContact O-N 3.33Å
303P37.5Very low37.1Very low82 Ų82129.7 Ų129.753%0.53268%0.679SS.*PPolyproline II helixtrans-60.9156.1172.126-31.9000110.4
304P36.6Very low37.3Very low124 Ų124127.9 Ų127.981%0.80567%0.665SS**PPolyproline II helixtrans-53.6146.617523.3-32.8000110.8
305E38Very low37.7Very low187 Ų187123.8 Ų123.887%0.87465%0.652SS**PPolyproline II helixtrans-53140.3178.4-95.4-172.715500110.9T307E305-T307 PolarHBondContact O-N 2.91Å
306P34.9Very low38.1Very low65 Ų65121.3 Ų121.342%0.42264%0.641SS.*PPolyproline II helixtrans-58.7133.1177.6-11.823000109.8E310P306-E310 WeakPolarHBondContact CA-OE2 3.44Å; P306-E310 HydrophobicContact CB-CB 3.29Å; P306-E310 HydrophobicContact CB-CG 4.29Å; P306-E310 WeakPolarHBondContact CB-OE2 3.15Å
307T49Very low38.4Very low101 Ų101117.1 Ų117.162%0.6262%0.624SS**PPolyproline II helixtrans-50.9154.3172.61.80000110.5E305 I309 E310 S311E305-T307 PolarHBondContact O-N 2.91Å; T307-I309 PolarHBondContact O-N 2.85Å; T307-E310 PolarHBondContact N-OE2 3.47Å; T307-E310 WeakPolarHBondContact O-CA 3.43Å; T307-E310 WeakPolarHBondContact O-CB 3.47Å; T307-E310 PolarHBondContact O-N 3.18Å; T307-E310 PolarHBondContact OG1-OE2 2.76Å; T307-S311 PolarHBondContact O-N 3.06Å
308Q39.4Very low38.8Very low175 Ų175118.7 Ų118.782%0.81862%0.62SS**Hα-helixtrans-53.3-20.1-172.4-72-170.3-1.200115.6S311 T312Q308-S311 PolarHBondContact O-OG 2.74Å; Q308-T312 PolarHBondContact O-OG1 2.9Å
309I41.1Very low39.3Very low141 Ų141120.5 Ų120.572%0.72362%0.62SS**Hα-helixtrans-76.2-30.6174.7-59.1172.5000111.9T307 T312 T313T307-I309 PolarHBondContact O-N 2.85Å; I309-T312 PolarHBondContact O-OG1 2.98Å; I309-T313 PolarHBondContact O-OG1 3.38Å
310E44.4Very low39.9Very low66 Ų66123.5 Ų123.531%0.30862%0.621SS.*Hα-helixtrans-84.7-30.2-179.9-64.5169.8136.800112P306 T307 T312 T313 F314P306-E310 WeakPolarHBondContact CA-OE2 3.44Å; P306-E310 HydrophobicContact CB-CB 3.29Å; P306-E310 HydrophobicContact CB-CG 4.29Å; P306-E310 WeakPolarHBondContact CB-OE2 3.15Å; T307-E310 PolarHBondContact N-OE2 3.47Å; T307-E310 WeakPolarHBondContact O-CA 3.43Å; T307-E310 WeakPolarHBondContact O-CB 3.47Å; T307-E310 PolarHBondContact O-N 3.18Å; T307-E310 PolarHBondContact OG1-OE2 2.76Å; E310-T312 VanDerWaalsContact C-N 3.33Å; E310-T312 PolarHBondContact O-N 2.89Å; E310-T313 PolarHBondContact O-N 2.92Å; E310-F314 PolarHBondContact O-N 3.12Å
311S42.4Very low40.1Very low48 Ų48119.8 Ų119.834%0.33662%0.617SS.*Hα-helixtrans-66.6-32.3178.3770000113.3T307 Q308 T313 N315T307-S311 PolarHBondContact O-N 3.06Å; Q308-S311 PolarHBondContact O-OG 2.74Å; S311-T313 VanDerWaalsContact C-N 3.32Å; S311-N315 PolarHBondContact O-N 2.97Å; S311-N315 PolarHBondContact O-ND2 3.45Å
312T41.9Very low40.1Very low86 Ų86117.6 Ų117.653%0.52861%0.614SS.*Hα-helixtrans-71.6-28.4175.922.20000112.3Q308 I309 E310Q308-T312 PolarHBondContact O-OG1 2.9Å; I309-T312 PolarHBondContact O-OG1 2.98Å; E310-T312 VanDerWaalsContact C-N 3.33Å; E310-T312 PolarHBondContact O-N 2.89Å
313T42.4Very low40.4Very low57 Ų57117.1 Ų117.135%0.3561%0.614SS.*Hα-helixtrans-81.3-38.4176.3-50.40000111.1I309 E310 S311 N315 K316 L317I309-T313 PolarHBondContact O-OG1 3.38Å; E310-T313 PolarHBondContact O-N 2.92Å; S311-T313 VanDerWaalsContact C-N 3.32Å; T313-N315 PolarHBondContact O-N 3.22Å; T313-K316 PolarHBondContact O-N 3.42Å; T313-L317 PolarHBondContact O-N 3.13Å
314F42Very low40.2Very low119 Ų119122.6 Ų122.652%0.52263%0.63SS.*Hα-helixtrans-63.7-39.4177.2-163.3-96.7000112.9E310 K316 L317 K318E310-F314 PolarHBondContact O-N 3.12Å; F314-K316 VanDerWaalsContact C-N 3.33Å; F314-K316 PolarHBondContact O-N 3.04Å; F314-L317 PolarHBondContact O-N 3.42Å; F314-K318 PolarHBondContact O-N 2.72Å
315N41.2Very low40.2Very low102 Ų102124.6 Ų124.655%0.54563%0.632SS.*Hα-helixtrans-68.3-29.2175.8-79.3-34.6000113.4S311 T313S311-N315 PolarHBondContact O-N 2.97Å; S311-N315 PolarHBondContact O-ND2 3.45Å; T313-N315 PolarHBondContact O-N 3.22Å
316K43.4Very low40Very low147 Ų147124 Ų12464%0.63963%0.629SS**Hα-helixtrans-71.5-37.1173.6-76.3179.4177.7178.80111.9T313 F314 Q319 F320T313-K316 PolarHBondContact O-N 3.42Å; F314-K316 VanDerWaalsContact C-N 3.33Å; F314-K316 PolarHBondContact O-N 3.04Å; K316-Q319 PolarHBondContact O-N 3.32Å; K316-F320 VanDerWaalsContact O-CD2 3.26Å; K316-F320 WeakPolarHBondContact O-CD2 3.38Å
317L39.4Very low39.8Very low86 Ų86131.3 Ų131.345%0.4565%0.654SS.*Hα-helixtrans-70.8-31178.6-76.4162.7000113.3T313 F314 Q319 F320T313-L317 PolarHBondContact O-N 3.13Å; F314-L317 PolarHBondContact O-N 3.42Å; L317-Q319 PolarHBondContact O-N 2.75Å; L317-F320 PolarHBondContact O-N 3.18Å
318K39.8Very low39Very low163 Ų163136 Ų13671%0.70967%0.666SS**THydrogen-bonded Turntrans-66.7-20.5177.5-142.5176.3-173.7179.50113.5F314F314-K318 PolarHBondContact O-N 2.72Å
319Q42.7Very low38.4Very low157 Ų157138.1 Ų138.173%0.73467%0.672SS**THydrogen-bonded Turntrans-82.4-16.5178.9-73-176.4-5.300114K316 L317K316-Q319 PolarHBondContact O-N 3.32Å; L317-Q319 PolarHBondContact O-N 2.75Å
320F42.6Very low37.7Very low163 Ų163139.6 Ų139.672%0.71568%0.678SS**SBendtrans-98.5-1.7-175.1-74.6-77.8000115.2K316 L317 N322K316-F320 VanDerWaalsContact O-CD2 3.26Å; K316-F320 WeakPolarHBondContact O-CD2 3.38Å; L317-F320 PolarHBondContact O-N 3.18Å; F320-N322 PolarHBondContact O-N 2.82Å
321G35.8Very low36.8Very low63 Ų63142 Ų14265%0.64970%0.702SS**  trans-84.76-173.700000117.5H323G321-H323 PolarHBondContact O-N 3.31Å
322N35.7Very low36.1Very low150 Ų150143.4 Ų143.480%0.80271%0.705SS**  trans-97.636.3-169.2-87.4-15.8000115.6F320F320-N322 PolarHBondContact O-N 2.82Å
323H38.7Very low35.5Very low177 Ų177149.9 Ų149.982%0.81972%0.72SS**  trans-104.3114.6173.6-85.3-63.4000113.4G321 I325G321-H323 PolarHBondContact O-N 3.31Å; H323-I325 PolarHBondContact O-N 2.9Å
324K32.4Very low35Very low198 Ų198153.5 Ų153.586%0.86174%0.742SS**PPolyproline II helixtrans-53.7121.8174.5-74.5173.5174.1174.30111.9
325I38.1Very low34.4Very low165 Ų165150.4 Ų150.485%0.84674%0.735SS**PPolyproline II helixtrans-101.2119.7167.5-61.5176.8000109.3H323H323-I325 PolarHBondContact O-N 2.9Å
326H33.5Very low34Very low176 Ų176153.9 Ų153.982%0.81574%0.741SS**PPolyproline II helixtrans-69.3135.3177.2-93.9-96.1000112K328H326-K328 PolarHBondContact O-N 2.82Å
327K30Very low33.7Very low217 Ų217149.7 Ų149.794%0.94372%0.722SS**PPolyproline II helixtrans-65.8117.2175.2-68.5177.7177178.30111.2
328K31.5Very low33.5Very low201 Ų201154.2 Ų154.287%0.87474%0.744SS**  trans-121.6121.8163.5-149.2174.1-174.2179.60108.8H326 M330H326-K328 PolarHBondContact O-N 2.82Å; K328-M330 PolarHBondContact O-N 3.33Å
329K27.7Very low33.2Very low218 Ų218153.8 Ų153.895%0.94875%0.746SS**  trans-62.9123.9177.5-76.3178.3174.3178.80109.3
330M25.8Very low32.7Very low173 Ų173153.6 Ų153.685%0.85275%0.747SS**  trans-109.4124.4174.2-122.5173.1173.600109.6K328K328-M330 PolarHBondContact O-N 3.33Å
331S25.9Very low32.1Very low116 Ų116153.1 Ų153.181%0.81175%0.748SS**  trans-79.3122.9170.21770000108.3
332I28.6Very low31.9Very low78 Ų78158.4 Ų158.440%0.475%0.754SS.*  trans-94.8100.9-175.6-65.2163000108.3Y337I332-Y337 HydrophobicContact CD1-CE1 4.08Å; I332-Y337 HydrophobicContact CG1-CE1 4.4Å; I332-Y337 WeakPolarHBondContact CG2-OH 3.17Å
333R28.8Very low31.7Very low221 Ų221158.9 Ų158.983%0.83475%0.751SS**SBendtrans-126.7121.8149.1-80.9-175.9173.6174.3-1.7106.2S335R333-S335 PolarHBondContact O-N 3.18Å
334T32.5Very low31.2Very low133 Ų133157.7 Ų157.782%0.81675%0.747SS**SBendtrans64.322.4164.954.50000119.5
335S29.3Very low31.1Very low54 Ų54154.9 Ų154.938%0.37874%0.739SS.*PPolyproline II helixtrans-93.9127.5176.747.50000112.6R333 Y337R333-S335 PolarHBondContact O-N 3.18Å; S335-Y337 PolarHBondContact O-N 3.21Å
336R32.6Very low30.6Very low175 Ų175154.1 Ų154.166%0.6673%0.73SS**PPolyproline II helixtrans-52.1134.5160.6-67-179.7-174.1168.65108.6I52I52-R336 VanDerWaalsContact CD1-CZ 3.47Å; I52-R336 VanDerWaalsContact CD1-NH2 3.32Å
337Y36Very low30.3Very low60 Ų60152.3 Ų152.324%0.23572%0.723CS.*BIsolated β-bridgetrans-92.3118.2172.8-57.3-86.6000107.5L24 I332 S335L24-Y337 HydrophobicContact CD1-CD1 4.28Å; L24-Y337 HydrophobicContact CD1-CE1 3.85Å; L24-Y337 HydrophobicContact CD1-CE2 4.29Å; L24-Y337 HydrophobicContact CD2-CD1 4.16Å; L24-Y337 HydrophobicContact CD2-CD2 3.93Å; L24-Y337 HydrophobicContact CD2-CE1 4.47Å; L24-Y337 HydrophobicContact CD2-CE2 4.26Å; L24-Y337 HydrophobicContact CD2-CG 3.87Å; I332-Y337 HydrophobicContact CD1-CE1 4.08Å; I332-Y337 HydrophobicContact CG1-CE1 4.4Å; I332-Y337 WeakPolarHBondContact CG2-OH 3.17Å; S335-Y337 PolarHBondContact O-N 3.21Å
338I35.5Very low30.4Very low181 Ų181146.4 Ų146.493%0.92870%0.703SS**  trans-87.90170.7-59.8175.2000108

Retrieved 338 of 338 residues in 246.7 ms (Link to these results)

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