A0A087YJ89_POEFO Loading...

Kaptin (actin binding protein)

AlphaFold DB , UniProt , Accession A0A087YJ89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1S31.3Very low46.8Very low176 Ų176133.1 Ų133.1100%1.23168%0.68SS**  0105.70-163.40000107.3R3S1-R3 PolarHBondContact O-N 2.96Å
2C26.8Very low50.4Low124 Ų124129.2 Ų129.284%0.83867%0.667SS**  trans-54.1114.6-169.8-77.60000112.8M4C2-M4 PolarHBondContact O-N 3.27Å
3R25.8Very low53.6Low245 Ų245126.3 Ų126.393%0.92565%0.648SS**  trans-80.396151.2-84.9-177.4173.1-179.4-2.7106.5S1 L5S1-R3 PolarHBondContact O-N 2.96Å; R3-L5 PolarHBondContact O-N 2.78Å
4M27.5Very low56.4Low173 Ų173121.8 Ų121.885%0.85263%0.626SS**  trans-63.1113.4160.1-75.9-163.1-91.500106.8C2 R6C2-M4 PolarHBondContact O-N 3.27Å; M4-R6 PolarHBondContact O-N 2.84Å; M4-R6 VanDerWaalsContact O-N 3.08Å
5L30.5Very low59Low165 Ų165114.7 Ų114.786%0.86459%0.592SS**  trans-55.2109.4157.8-78.2147.6000105.6R3 E7R3-L5 PolarHBondContact O-N 2.78Å; L5-E7 VanDerWaalsContact C-N 3.33Å; L5-E7 PolarHBondContact O-N 2.85Å
6R37.1Very low61.3Low237 Ų237113.1 Ų113.189%0.89458%0.579SS**  trans-64.1103.7163.7-97.3-179.4171.3178.6-4.1105.2M4 S8M4-R6 PolarHBondContact O-N 2.84Å; M4-R6 VanDerWaalsContact O-N 3.08Å; R6-S8 PolarHBondContact O-N 3.45Å
7E43.3Very low63.2Low119 Ų119108.7 Ų108.756%0.55656%0.557SS**  trans-58.5103.3163.2-67.6165.715400106.4L5 Y9L5-E7 VanDerWaalsContact C-N 3.33Å; L5-E7 PolarHBondContact O-N 2.85Å; E7-Y9 HydrophobicContact CB-CD2 4.29Å; E7-Y9 HydrophobicContact CB-CE1 4.31Å; E7-Y9 HydrophobicContact CB-CE2 3.49Å; E7-Y9 VanDerWaalsContact CB-CE2 3.49Å; E7-Y9 WeakPolarHBondContact CB-OH 3.26Å; E7-Y9 VanDerWaalsContact O-CD2 3.27Å; E7-Y9 WeakPolarHBondContact O-CD2 3.17Å; E7-Y9 WeakPolarHBondContact O-CE2 3.44Å; E7-Y9 PolarHBondContact O-N 3.1Å; E7-Y9 VanDerWaalsContact O-N 3.16Å; E7-Y9 PolarHBondContact OE2-OH 3.18Å
8S59.6Low65Low106 Ų106113.7 Ų113.774%0.74157%0.568SS**  trans-82.688.7179.554.30000108.5R6R6-S8 PolarHBondContact O-N 3.45Å
9Y68.6Low66.5Low68 Ų68108.5 Ų108.527%0.26754%0.541SS..  trans-71.8135.9169-54.1-76.5000109.4E7 F11 W355 R356 R357E7-Y9 HydrophobicContact CB-CD2 4.29Å; E7-Y9 HydrophobicContact CB-CE1 4.31Å; E7-Y9 HydrophobicContact CB-CE2 3.49Å; E7-Y9 VanDerWaalsContact CB-CE2 3.49Å; E7-Y9 WeakPolarHBondContact CB-OH 3.26Å; E7-Y9 VanDerWaalsContact O-CD2 3.27Å; E7-Y9 WeakPolarHBondContact O-CD2 3.17Å; E7-Y9 WeakPolarHBondContact O-CE2 3.44Å; E7-Y9 PolarHBondContact O-N 3.1Å; E7-Y9 VanDerWaalsContact O-N 3.16Å; E7-Y9 PolarHBondContact OE2-OH 3.18Å; Y9-F11 PolarHBondContact O-N 2.66Å; Y9-W355 HydrophobicContact CD1-CB 4.18Å; Y9-W355 HydrophobicContact CD1-CD2 4.07Å; Y9-W355 AromaticContact CD1-CE3 3.81Å; Y9-W355 HydrophobicContact CD1-CE3 3.81Å; Y9-W355 HydrophobicContact CD1-CG 4.27Å; Y9-W355 HydrophobicContact CE1-CB 4.1Å; Y9-W355 HydrophobicContact CE1-CE3 4.11Å; Y9-R356 VanDerWaalsContact CE1-C 3.49Å; Y9-R356 WeakPolarHBondContact CE1-O 3.28Å; Y9-R356 VanDerWaalsContact CZ-O 3.3Å; Y9-R356 PolarHBondContact OH-O 2.86Å; Y9-R357 HydrophobicContact CD1-CB 4.04Å; Y9-R357 HydrophobicContact CE1-CB 3.87Å
10P77.9Confident67.5Low41 Ų41107.8 Ų107.827%0.26655%0.545SS..SBendtrans-68-21.9177.726.7-32.8000112.2W355 S393P10-W355 HydrophobicContact CG-CZ2 4.21Å; P10-S393 PolarHBondContact O-N 2.88Å
11F86.4Confident68.7Low10 Ų10103.6 Ų103.64%0.04453%0.525CS..EExtended strand (participates in β ladder)trans-101.1139-173.6-70.4-67.1000114.2Y9 L318 R357 Y368 L379 L390 Q391 H392Y9-F11 PolarHBondContact O-N 2.66Å; F11-L318 HydrophobicContact CE2-CD1 4.32Å; F11-L318 HydrophobicContact CE2-CD2 3.46Å; F11-L318 VanDerWaalsContact CE2-CD2 3.46Å; F11-L318 HydrophobicContact CE2-CG 4.48Å; F11-L318 HydrophobicContact CZ-CD2 3.38Å; F11-R357 PolarHBondContact O-NH1 3.29Å; F11-Y368 HydrophobicContact CE1-CE2 4.34Å; F11-Y368 HydrophobicContact CZ-CE2 4.13Å; F11-L379 HydrophobicContact CD1-CB 4.37Å; F11-L379 HydrophobicContact CD2-CD2 4.1Å; F11-L379 HydrophobicContact CE1-CB 3.89Å; F11-L379 HydrophobicContact CE2-CB 4.27Å; F11-L379 HydrophobicContact CE2-CD2 3.79Å; F11-L379 HydrophobicContact CZ-CB 3.83Å; F11-L379 HydrophobicContact CZ-CD2 4.19Å; F11-L390 HydrophobicContact CB-CB 4Å; F11-L390 HydrophobicContact CB-CD1 4.42Å; F11-L390 HydrophobicContact CD1-CB 4.12Å; F11-L390 HydrophobicContact CG-CB 4.19Å; F11-Q391 CarbonylContact C-O 3.57Å; F11-Q391 VanDerWaalsContact CA-O 3.28Å; F11-Q391 WeakPolarHBondContact CA-O 3.5Å; F11-H392 AromaticContact CE1-CD2 3.8Å; F11-H392 AromaticContact CE1-CE1 3.59Å; F11-H392 AromaticContact CE1-CG 3.99Å; F11-H392 AromaticContact CE1-ND1 3.86Å; F11-H392 AromaticContact CE1-NE2 3.54Å; F11-H392 AromaticContact CZ-CE1 3.63Å; F11-H392 AromaticContact CZ-NE2 3.75Å
12V90.3Very high71.7Confident86 Ų86100.4 Ų100.452%0.52149%0.491SS..EExtended strand (participates in β ladder)trans-108.5146.4167.5-1750000108.8D14 L390 Q391V12-D14 PolarHBondContact O-N 3.03Å; V12-L390 CarbonylContact O-C 3.59Å; V12-L390 VanDerWaalsContact O-CA 3.3Å; V12-L390 WeakPolarHBondContact O-CA 3.25Å; V12-Q391 PolarHBondContact N-O 2.84Å; V12-Q391 PolarHBondContact O-N 2.98Å
13E92.2Very high75Confident92 Ų9294.7 Ų94.743%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-73.8121173.3-173.2164.2-136.500110.3H388 L390E13-H388 IonicContact OE1-CE1 3.7Å; E13-H388 PolarHBondContact OE1-CE1 2.71Å; E13-H388 IonicContact OE1-CG 3.67Å; E13-H388 IonicContact OE1-ND1 3.69Å; E13-H388 PolarHBondContact OE1-ND1 2.83Å; E13-L390 HydrophobicContact CB-CD2 3.95Å; E13-L390 HydrophobicContact CG-CD2 4.14Å
14D93.1Very high78.3Confident63 Ų6384.1 Ų84.134%0.33741%0.414SS..EExtended strand (participates in β ladder)trans-87.3-56.6173169.668.2000110.2V12 Y50 I389 Q391V12-D14 PolarHBondContact O-N 3.03Å; D14-Y50 VanDerWaalsContact CG-OH 3.31Å; D14-Y50 PolarHBondContact OD2-OH 3.08Å; D14-I389 PolarHBondContact N-O 3.43Å; D14-Q391 HydrophobicContact CB-CG 4.03Å
15S94.3Very high81.5Confident16 Ų1678.1 Ų78.111%0.11239%0.385CS..EExtended strand (participates in β ladder)trans-147.6154.7-17555.60000113.3I389S15-I389 PolarHBondContact N-O 2.88Å; S15-I389 PolarHBondContact O-N 2.78Å
16F95.8Very high84.7Confident88 Ų8871.6 Ų71.639%0.38635%0.35SS..EExtended strand (participates in β ladder)trans-133123.2173.2172.2-109.6000110R18 L387 H388F16-R18 HydrophobicContact CE1-CB 3.85Å; F16-R18 HydrophobicContact CE1-CG 4.47Å; F16-R18 HydrophobicContact CZ-CB 4.2Å; F16-L387 WeakPolarHBondContact CA-O 3.44Å; F16-L387 WeakPolarHBondContact CD2-O 3.38Å; F16-H388 AromaticContact CD2-CD2 3.6Å; F16-H388 AromaticContact CD2-CE1 3.27Å; F16-H388 WeakPolarHBondContact CD2-CE1 3.4Å; F16-H388 AromaticContact CD2-CG 3.66Å; F16-H388 AromaticContact CD2-ND1 3.45Å; F16-H388 WeakPolarHBondContact CD2-ND1 3.4Å; F16-H388 AromaticContact CD2-NE2 3.37Å; F16-H388 WeakPolarHBondContact CD2-NE2 3.48Å; F16-H388 AromaticContact CE2-CD2 3.74Å; F16-H388 AromaticContact CE2-CE1 3.66Å; F16-H388 AromaticContact CE2-NE2 3.32Å; F16-H388 VanDerWaalsContact CE2-NE2 3.32Å; F16-H388 WeakPolarHBondContact CE2-NE2 3.46Å; F16-H388 AromaticContact CG-CE1 3.93Å
17N94.8Very high87.6Confident39 Ų3960.3 Ų60.321%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-109.2110.9177.4-69.6-74.2000109.8F48 A61 G386 L387N17-F48 WeakPolarHBondContact ND2-CD2 3.39Å; N17-F48 VanDerWaalsContact ND2-CE2 3.28Å; N17-F48 WeakPolarHBondContact ND2-CE2 3.34Å; N17-A61 HydrophobicContact CB-CB 4.09Å; N17-A61 VanDerWaalsContact OD1-CB 3.3Å; N17-A61 WeakPolarHBondContact OD1-CB 3.45Å; N17-G386 CarbonylContact O-C 3.6Å; N17-G386 WeakPolarHBondContact O-CA 3.5Å; N17-L387 PolarHBondContact N-O 2.82Å; N17-L387 PolarHBondContact O-N 2.97Å
18R94.7Very high90.2Very high198 Ų19855.3 Ų55.375%0.74728%0.284SS*.EExtended strand (participates in β ladder)trans-77.3133.5178.6-174175-178.5147-0.7110.8F16F16-R18 HydrophobicContact CE1-CB 3.85Å; F16-R18 HydrophobicContact CE1-CG 4.47Å; F16-R18 HydrophobicContact CZ-CB 4.2Å
19F93.4Very high92Very high15 Ų1550.5 Ų50.57%0.06625%0.25CC..  trans-90.9151.2175.8-64.9-18.8000112.7S21 A38 T40 V46 L382 K385 L387F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 VanDerWaalsContact CB-O 3.25Å; F19-S21 WeakPolarHBondContact CB-O 3.38Å; F19-A38 HydrophobicContact CE1-CB 4.46Å; F19-A38 HydrophobicContact CE2-CB 3.76Å; F19-A38 HydrophobicContact CZ-CB 3.4Å; F19-A38 VanDerWaalsContact CZ-CB 3.4Å; F19-T40 HydrophobicContact CB-CG2 4Å; F19-T40 HydrophobicContact CD2-CG2 3.77Å; F19-T40 HydrophobicContact CE2-CG2 4.44Å; F19-T40 HydrophobicContact CG-CG2 3.94Å; F19-V46 HydrophobicContact CD1-CG2 4.19Å; F19-V46 HydrophobicContact CE1-CB 4.08Å; F19-V46 HydrophobicContact CE1-CG1 4.25Å; F19-V46 HydrophobicContact CE1-CG2 4.03Å; F19-L382 HydrophobicContact CD2-CD1 4.31Å; F19-L382 HydrophobicContact CE2-CD1 3.5Å; F19-L382 HydrophobicContact CZ-CD1 4.32Å; F19-K385 PolarHBondContact N-O 3.16Å; F19-L387 HydrophobicContact CE1-CB 4.31Å; F19-L387 HydrophobicContact CE2-CB 4.46Å; F19-L387 HydrophobicContact CZ-CB 3.75Å
20P87.6Confident93.2Very high95 Ų9550.8 Ų50.862%0.61725%0.254SS*.SBendtrans-71.8-24.7177.429.3-34.9000112.7K44P20-K44 HydrophobicContact CG-CD 3.59Å
21S92.3Very high93.8Very high19 Ų1948.9 Ų48.913%0.13324%0.241CC..SBendtrans-137.5167.9176.649.10000109.8F19 T40F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 VanDerWaalsContact CB-O 3.25Å; F19-S21 WeakPolarHBondContact CB-O 3.38Å; S21-T40 VanDerWaalsContact OG-CB 3.23Å; S21-T40 WeakPolarHBondContact OG-CB 3.39Å; S21-T40 PolarHBondContact OG-OG1 3.32Å
22Q94.1Very high93.8Very high110 Ų11048.4 Ų48.451%0.51424%0.24SC..  trans-68.5151.3178.2-61.3175.5-200110.8L41 L384Q22-L41 HydrophobicContact CB-CD1 4.23Å; Q22-L41 WeakPolarHBondContact O-CG 3.38Å; Q22-L41 PolarHBondContact O-N 2.98Å; Q22-L384 VanDerWaalsContact CA-O 3.28Å; Q22-L384 WeakPolarHBondContact CA-O 3.24Å; Q22-L384 HydrophobicContact CB-CD2 4.19Å; Q22-L384 HydrophobicContact CG-CD2 4.44Å
23S95.3Very high93.6Very high3 Ų351.7 Ų51.72%0.02125%0.249CC..  trans-98.4-173.7168.4-169.10000110.4A39 L364 L382S23-A39 WeakPolarHBondContact CB-O 3.14Å; S23-A39 PolarHBondContact OG-O 3.14Å; S23-L364 WeakPolarHBondContact O-CD1 3.19Å; S23-L382 VanDerWaalsContact OG-CD2 3.24Å; S23-L382 WeakPolarHBondContact OG-CD2 3.44Å
24N94.9Very high93.5Very high23 Ų2351.3 Ų51.312%0.12325%0.248CC..  trans-137.4176.7-18070.354000110.9Y26 G27 L41 I75 V76N24-Y26 VanDerWaalsContact C-N 3.3Å; N24-Y26 PolarHBondContact O-N 2.98Å; N24-Y26 VanDerWaalsContact OD1-C 3.23Å; N24-Y26 WeakPolarHBondContact OD1-CA 3.42Å; N24-Y26 PolarHBondContact OD1-N 2.83Å; N24-G27 PolarHBondContact O-N 2.95Å; N24-G27 VanDerWaalsContact O-N 3.16Å; N24-G27 PolarHBondContact OD1-N 2.81Å; N24-L41 HydrophobicContact CB-CD2 4.25Å; N24-I75 PolarHBondContact ND2-O 3.34Å; N24-V76 PolarHBondContact ND2-O 2.76Å; N24-V76 VanDerWaalsContact ND2-O 3.13Å; N24-V76 PolarHBondContact OD1-O 2.84Å
25I96.5Very high93.5Very high48 Ų4850 Ų5025%0.24624%0.239CC..THydrogen-bonded Turntrans-67.7-23.7-175.860.3172.4000114.4L311 L364I25-L311 HydrophobicContact CG2-CB 4.28Å; I25-L364 HydrophobicContact CG2-CB 4.44Å; I25-L364 HydrophobicContact CG2-CD2 4.24Å
26Y97.7Very high93.6Very high28 Ų2849.2 Ų49.211%0.1123%0.234CC..THydrogen-bonded Turntrans-102.817.6175.2-48.5-52.1000111.9N24 S77 I78 F139 Q140 L198 W199N24-Y26 VanDerWaalsContact C-N 3.3Å; N24-Y26 PolarHBondContact O-N 2.98Å; N24-Y26 VanDerWaalsContact OD1-C 3.23Å; N24-Y26 WeakPolarHBondContact OD1-CA 3.42Å; N24-Y26 PolarHBondContact OD1-N 2.83Å; Y26-S77 VanDerWaalsContact CB-CB 3.42Å; Y26-S77 WeakPolarHBondContact O-CA 3.49Å; Y26-I78 PolarHBondContact O-N 2.85Å; Y26-F139 HydrophobicContact CE2-CB 4.21Å; Y26-Q140 HydrophobicContact CD1-CB 4.02Å; Y26-Q140 HydrophobicContact CD1-CG 3.92Å; Y26-Q140 HydrophobicContact CE1-CB 3.72Å; Y26-Q140 HydrophobicContact CE1-CG 3.94Å; Y26-Q140 HydrophobicContact CE2-CB 4.5Å; Y26-L198 PolarHBondContact OH-O 2.83Å; Y26-W199 HydrophobicContact CD1-CE3 4.31Å; Y26-W199 AromaticContact CD1-CZ3 3.82Å; Y26-W199 HydrophobicContact CD1-CZ3 3.82Å; Y26-W199 AromaticContact CE1-CE3 3.68Å; Y26-W199 HydrophobicContact CE1-CE3 3.68Å; Y26-W199 AromaticContact CE1-CZ3 3.62Å; Y26-W199 HydrophobicContact CE1-CZ3 3.62Å
27G96.8Very high93.7Very high0 Ų045 Ų450%022%0.215CC..  trans-94.111.5-169.300000114.3N24 A38 A39N24-G27 PolarHBondContact O-N 2.95Å; N24-G27 VanDerWaalsContact O-N 3.16Å; N24-G27 PolarHBondContact OD1-N 2.81Å; G27-A38 CarbonylContact O-C 3.49Å; G27-A38 VanDerWaalsContact O-CA 3.25Å; G27-A38 WeakPolarHBondContact O-CA 3.45Å; G27-A39 PolarHBondContact O-N 3.24Å
28L97.6Very high93.8Very high13 Ų1343.2 Ų43.27%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-137.7128.1-178.4-174.672.4000109.9L37 A38 I367 L382 L387L28-L37 WeakPolarHBondContact CA-O 3.36Å; L28-A38 HydrophobicContact CD1-CB 4.03Å; L28-I367 HydrophobicContact CB-CD1 4.48Å; L28-I367 HydrophobicContact CD2-CB 4.12Å; L28-I367 HydrophobicContact CD2-CD1 3.83Å; L28-I367 HydrophobicContact CD2-CG1 3.75Å; L28-I367 HydrophobicContact CG-CD1 3.71Å; L28-I367 HydrophobicContact CG-CG1 4.22Å; L28-L382 HydrophobicContact CB-CB 4.3Å; L28-L382 HydrophobicContact CB-CD2 3.75Å; L28-L382 HydrophobicContact CD2-CB 3.97Å; L28-L387 HydrophobicContact CD1-CD1 4.04Å; L28-L387 HydrophobicContact CD2-CD1 4.5Å
29C97.1Very high93.8Very high5 Ų533.8 Ų33.83%0.03417%0.17CC..EExtended strand (participates in β ladder)trans-142.8163.717169.90000111.4L36 L37C29-L36 WeakPolarHBondContact O-CA 3.32Å; C29-L37 PolarHBondContact N-O 2.96Å; C29-L37 PolarHBondContact O-N 2.8Å
30Q95Very high93.8Very high75 Ų7533 Ų3335%0.3517%0.167SC..EExtended strand (participates in β ladder)trans-80.4136.2169.5169.5174.8-2.800109.9G32 A80 L369Q30-G32 WeakPolarHBondContact CG-O 3.25Å; Q30-G32 PolarHBondContact NE2-O 2.87Å; Q30-A80 WeakPolarHBondContact O-CB 3.2Å; Q30-L369 HydrophobicContact CB-CD2 4.19Å; Q30-L369 HydrophobicContact CG-CD1 4.46Å; Q30-L369 HydrophobicContact CG-CD2 3.6Å; Q30-L369 VanDerWaalsContact NE2-CD1 3.34Å
31A90.3Very high93.9Very high0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-122.1127.5169.100000109.5E35 L37 L90A31-E35 HydrophobicContact CB-CB 4.41Å; A31-E35 PolarHBondContact N-O 2.8Å; A31-E35 CarbonylContact O-C 3.56Å; A31-E35 WeakPolarHBondContact O-CA 3.29Å; A31-E35 WeakPolarHBondContact O-CB 3.49Å; A31-E35 PolarHBondContact O-N 3Å; A31-L37 HydrophobicContact CB-CD1 3.75Å; A31-L37 HydrophobicContact CB-CD2 4.34Å; A31-L37 HydrophobicContact CB-CG 3.62Å; A31-L90 HydrophobicContact CB-CD1 4.25Å; A31-L90 HydrophobicContact CB-CD2 3.94Å
32G86.1Confident93.7Very high1 Ų137 Ų371%0.0118%0.175CC..THydrogen-bonded Turntrans63.3-154.8-174.200000112.5Q30 N82Q30-G32 WeakPolarHBondContact CG-O 3.25Å; Q30-G32 PolarHBondContact NE2-O 2.87Å; G32-N82 WeakPolarHBondContact CA-ND2 3.34Å; G32-N82 WeakPolarHBondContact CA-OD1 3.47Å; G32-N82 PolarHBondContact O-ND2 3.3Å
33E85.6Confident93Very high154 Ų15432.6 Ų32.672%0.7216%0.159SC*.THydrogen-bonded Turntrans-90.4-28.7-179.1-64.8-176.1173.900112.9L369E33-L369 WeakPolarHBondContact O-CD1 3.25Å
34Q90.6Very high92.8Very high85 Ų8535.4 Ų35.440%0.39717%0.171SC..THydrogen-bonded Turntrans-134.614.3-167.6-59.9178-14.800113.2D370Q34-D370 WeakPolarHBondContact CG-O 3.27Å
35E93.3Very high92.7Very high34 Ų3434.4 Ų34.416%0.15917%0.165CC..EExtended strand (participates in β ladder)trans-121.3152.7-179.9-39.5-172.5136.700111.7A31 F48 R49A31-E35 HydrophobicContact CB-CB 4.41Å; A31-E35 PolarHBondContact N-O 2.8Å; A31-E35 CarbonylContact O-C 3.56Å; A31-E35 WeakPolarHBondContact O-CA 3.29Å; A31-E35 WeakPolarHBondContact O-CB 3.49Å; A31-E35 PolarHBondContact O-N 3Å; E35-F48 WeakPolarHBondContact CA-O 3.46Å; E35-R49 HydrophobicContact CB-CB 4.34Å; E35-R49 HydrophobicContact CG-CB 4Å; E35-R49 WeakPolarHBondContact OE1-CD 3.24Å; E35-R49 IonicContact OE1-NE 4Å
36L96.3Very high92.7Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-123.9139.3174-63.3170000109.3C29 C47 F48 I367 L369 L371 A380 I389C29-L36 WeakPolarHBondContact O-CA 3.32Å; L36-C47 CarbonylContact O-C 3.49Å; L36-C47 VanDerWaalsContact O-CA 3.29Å; L36-C47 WeakPolarHBondContact O-CA 3.18Å; L36-F48 HydrophobicContact CB-CB 4.36Å; L36-F48 HydrophobicContact CD1-CD1 4.47Å; L36-F48 PolarHBondContact N-O 3.19Å; L36-F48 PolarHBondContact O-N 3.17Å; L36-I367 HydrophobicContact CD2-CD1 4.5Å; L36-I367 HydrophobicContact CD2-CG2 3.98Å; L36-L369 HydrophobicContact CD2-CD2 3.91Å; L36-L371 HydrophobicContact CD1-CD1 3.82Å; L36-L371 HydrophobicContact CD1-CD2 3.8Å; L36-L371 HydrophobicContact CD1-CG 4.45Å; L36-L371 HydrophobicContact CD2-CD2 4.34Å; L36-L371 HydrophobicContact CG-CD2 3.68Å; L36-A380 HydrophobicContact CD1-CB 3.42Å; L36-A380 VanDerWaalsContact CD1-CB 3.42Å; L36-I389 HydrophobicContact CD1-CD1 4.3Å
37L97.1Very high92.6Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-106.5125.8168.7-60.5176.5000109.2L28 C29 A31 V45 C47 F66 I78 V92 L122L28-L37 WeakPolarHBondContact CA-O 3.36Å; C29-L37 PolarHBondContact N-O 2.96Å; C29-L37 PolarHBondContact O-N 2.8Å; A31-L37 HydrophobicContact CB-CD1 3.75Å; A31-L37 HydrophobicContact CB-CD2 4.34Å; A31-L37 HydrophobicContact CB-CG 3.62Å; L37-V45 HydrophobicContact CB-CG1 4.1Å; L37-V45 HydrophobicContact CD2-CG1 4.26Å; L37-C47 HydrophobicContact CD2-CB 3.75Å; L37-F66 HydrophobicContact CD1-CZ 4.37Å; L37-I78 HydrophobicContact CB-CD1 3.89Å; L37-I78 HydrophobicContact CD1-CD1 4.11Å; L37-V92 HydrophobicContact CD1-CG1 3.86Å; L37-V92 HydrophobicContact CD1-CG2 4Å; L37-L122 HydrophobicContact CD2-CD2 3.96Å
38A97.2Very high92.5Very high1 Ų132 Ų321%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-117.2113.3173.800000110F19 G27 L28 V45 V46F19-A38 HydrophobicContact CE1-CB 4.46Å; F19-A38 HydrophobicContact CE2-CB 3.76Å; F19-A38 HydrophobicContact CZ-CB 3.4Å; F19-A38 VanDerWaalsContact CZ-CB 3.4Å; G27-A38 CarbonylContact O-C 3.49Å; G27-A38 VanDerWaalsContact O-CA 3.25Å; G27-A38 WeakPolarHBondContact O-CA 3.45Å; L28-A38 HydrophobicContact CD1-CB 4.03Å; A38-V45 CarbonylContact O-C 3.59Å; A38-V45 WeakPolarHBondContact O-CA 3.48Å; A38-V46 PolarHBondContact N-O 3.3Å; A38-V46 PolarHBondContact O-N 2.89Å
39A95.8Very high92.3Very high0 Ų035 Ų350%017%0.166CC..EExtended strand (participates in β ladder)trans-86.6150.917600000111.7S23 G27 V45 I75 I78S23-A39 WeakPolarHBondContact CB-O 3.14Å; S23-A39 PolarHBondContact OG-O 3.14Å; G27-A39 PolarHBondContact O-N 3.24Å; A39-V45 HydrophobicContact CB-CG2 4.27Å; A39-I75 HydrophobicContact CB-CB 4.25Å; A39-I75 HydrophobicContact CB-CD1 4.04Å; A39-I75 HydrophobicContact CB-CG2 3.65Å; A39-I78 HydrophobicContact CB-CB 4.16Å; A39-I78 HydrophobicContact CB-CD1 4.46Å; A39-I78 HydrophobicContact CB-CG2 3.72Å
40T92.8Very high92.1Very high0 Ų035.8 Ų35.80%017%0.169CC..  trans-124.4158.1175.8680000110.4F19 S21 K42 K44F19-T40 HydrophobicContact CB-CG2 4Å; F19-T40 HydrophobicContact CD2-CG2 3.77Å; F19-T40 HydrophobicContact CE2-CG2 4.44Å; F19-T40 HydrophobicContact CG-CG2 3.94Å; S21-T40 VanDerWaalsContact OG-CB 3.23Å; S21-T40 WeakPolarHBondContact OG-CB 3.39Å; S21-T40 PolarHBondContact OG-OG1 3.32Å; T40-K42 PolarHBondContact O-N 2.8Å; T40-K44 PolarHBondContact N-O 3.19Å; T40-K44 WeakPolarHBondContact OG1-CB 3.48Å; T40-K44 PolarHBondContact OG1-O 2.8Å
41L89.9Confident91.8Very high57 Ų5735.5 Ų35.530%0.29817%0.167SC..SBendtrans-65-4.9-178.3-66.2177.7000114.8Q22 N24 E74Q22-L41 HydrophobicContact CB-CD1 4.23Å; Q22-L41 WeakPolarHBondContact O-CG 3.38Å; Q22-L41 PolarHBondContact O-N 2.98Å; N24-L41 HydrophobicContact CB-CD2 4.25Å; L41-E74 WeakPolarHBondContact O-CA 3.48Å
42K88.4Confident91.6Very high140 Ų14041.5 Ų41.561%0.60920%0.195SC*.SBendtrans-119.152.5179.8-66.7-166.3174.3-170.40111.3T40 K44 V71 A73T40-K42 PolarHBondContact O-N 2.8Å; K42-K44 PolarHBondContact O-N 3.12Å; K42-V71 CarbonylContact C-O 3.58Å; K42-A73 CarbonylContact C-O 3.52Å
43G78.9Confident91.4Very high17 Ų1745.6 Ų45.618%0.17522%0.216CC..SBendtrans64.9-0.1173.200000116.9A73G43-A73 WeakPolarHBondContact CA-O 3.27Å; G43-A73 PolarHBondContact N-O 2.79Å
44K90.2Very high91.2Very high63 Ų6347.1 Ų47.127%0.27422%0.224SC..  trans-96.1133.1-176.3-65.6175171.4-103.40111.1P20 T40 K42 E63P20-K44 HydrophobicContact CG-CD 3.59Å; T40-K44 PolarHBondContact N-O 3.19Å; T40-K44 WeakPolarHBondContact OG1-CB 3.48Å; T40-K44 PolarHBondContact OG1-O 2.8Å; K42-K44 PolarHBondContact O-N 3.12Å; K44-E63 WeakPolarHBondContact CE-OE1 3.46Å; K44-E63 WeakPolarHBondContact CG-OE1 3.39Å; K44-E63 IonicContact NZ-OE1 2.79Å; K44-E63 PolarHBondContact NZ-OE1 3.27Å; K44-E63 IonicContact NZ-OE2 2.73Å; K44-E63 PolarHBondContact NZ-OE2 3.25Å
45V94.7Very high90.7Very high1 Ų151.3 Ų51.31%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-114.4131.8169.9-174.50000108.5L37 A38 A39 E63 V64 F66 I75 I78 I94L37-V45 HydrophobicContact CB-CG1 4.1Å; L37-V45 HydrophobicContact CD2-CG1 4.26Å; A38-V45 CarbonylContact O-C 3.59Å; A38-V45 WeakPolarHBondContact O-CA 3.48Å; A39-V45 HydrophobicContact CB-CG2 4.27Å; V45-E63 WeakPolarHBondContact O-CA 3.43Å; V45-V64 PolarHBondContact O-N 3.18Å; V45-F66 HydrophobicContact CB-CD2 3.9Å; V45-F66 HydrophobicContact CB-CE2 3.78Å; V45-F66 HydrophobicContact CG1-CD2 4.38Å; V45-F66 HydrophobicContact CG1-CE2 3.77Å; V45-F66 HydrophobicContact CG2-CD2 3.85Å; V45-F66 HydrophobicContact CG2-CE2 4.04Å; V45-I75 HydrophobicContact CG2-CD1 3.69Å; V45-I78 HydrophobicContact CG1-CD1 3.79Å; V45-I78 HydrophobicContact CG2-CD1 4.25Å; V45-I94 HydrophobicContact CG2-CD1 4.19Å
46V95.1Very high90.2Very high18 Ų1855.9 Ų55.911%0.10926%0.262CS..EExtended strand (participates in β ladder)trans-110.2121.8177.8-1790000108.1F19 A38 A61 K62F19-V46 HydrophobicContact CD1-CG2 4.19Å; F19-V46 HydrophobicContact CE1-CB 4.08Å; F19-V46 HydrophobicContact CE1-CG1 4.25Å; F19-V46 HydrophobicContact CE1-CG2 4.03Å; A38-V46 PolarHBondContact N-O 3.3Å; A38-V46 PolarHBondContact O-N 2.89Å; V46-A61 HydrophobicContact CG1-CB 3.85Å; V46-K62 CarbonylContact C-O 3.58Å; V46-K62 WeakPolarHBondContact CA-O 3.49Å
47C95.6Very high89.7Confident6 Ų659.9 Ų59.94%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-86124.5167.1174.40000109.3L36 L37 A61 K62 V64 L122L36-C47 CarbonylContact O-C 3.49Å; L36-C47 VanDerWaalsContact O-CA 3.29Å; L36-C47 WeakPolarHBondContact O-CA 3.18Å; L37-C47 HydrophobicContact CD2-CB 3.75Å; C47-A61 CarbonylContact O-C 3.58Å; C47-A61 WeakPolarHBondContact O-CA 3.37Å; C47-K62 PolarHBondContact N-O 3.43Å; C47-K62 PolarHBondContact O-N 2.88Å; C47-V64 HydrophobicContact CB-CG2 3.47Å; C47-V64 VanDerWaalsContact CB-CG2 3.47Å; C47-L122 HydrophobicContact CB-CD2 3.73Å
48F95.6Very high89.3Confident2 Ų266.6 Ų66.61%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-106.8131.2171.4-178.8-83.9000109.7N17 E35 L36 Y50 P59 V60 A61 L371 L387 I389N17-F48 WeakPolarHBondContact ND2-CD2 3.39Å; N17-F48 VanDerWaalsContact ND2-CE2 3.28Å; N17-F48 WeakPolarHBondContact ND2-CE2 3.34Å; E35-F48 WeakPolarHBondContact CA-O 3.46Å; L36-F48 HydrophobicContact CB-CB 4.36Å; L36-F48 HydrophobicContact CD1-CD1 4.47Å; L36-F48 PolarHBondContact N-O 3.19Å; L36-F48 PolarHBondContact O-N 3.17Å; F48-Y50 HydrophobicContact CE1-CD2 4.05Å; F48-Y50 AromaticContact CE1-CE2 3.69Å; F48-Y50 HydrophobicContact CE1-CE2 3.69Å; F48-Y50 HydrophobicContact CZ-CD2 4.47Å; F48-Y50 AromaticContact CZ-CE2 3.95Å; F48-Y50 HydrophobicContact CZ-CE2 3.95Å; F48-P59 HydrophobicContact CE2-CB 3.63Å; F48-P59 HydrophobicContact CZ-CB 3.45Å; F48-P59 VanDerWaalsContact CZ-CB 3.45Å; F48-V60 WeakPolarHBondContact CA-O 3.27Å; F48-A61 HydrophobicContact CD2-CB 4.29Å; F48-L371 HydrophobicContact CD1-CD1 4.1Å; F48-L371 HydrophobicContact CE1-CD1 3.82Å; F48-L387 HydrophobicContact CB-CD2 4Å; F48-L387 HydrophobicContact CG-CD2 4.22Å; F48-I389 HydrophobicContact CD1-CD1 4.07Å; F48-I389 HydrophobicContact CD1-CG1 4.35Å; F48-I389 HydrophobicContact CD2-CG1 4.47Å; F48-I389 HydrophobicContact CE1-CD1 3.88Å; F48-I389 HydrophobicContact CE1-CG1 3.77Å; F48-I389 HydrophobicContact CE2-CG1 3.88Å; F48-I389 HydrophobicContact CG-CD1 4.5Å; F48-I389 HydrophobicContact CZ-CB 4.43Å; F48-I389 HydrophobicContact CZ-CD1 4.13Å; F48-I389 HydrophobicContact CZ-CG1 3.51Å
49R94Very high89.1Confident75 Ų7568.9 Ų68.928%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-153.6159.8174.266.9-170.8-176.492.2-1.8110.4E35 V60E35-R49 HydrophobicContact CB-CB 4.34Å; E35-R49 HydrophobicContact CG-CB 4Å; E35-R49 WeakPolarHBondContact OE1-CD 3.24Å; E35-R49 IonicContact OE1-NE 4Å; R49-V60 PolarHBondContact N-O 2.88Å; R49-V60 PolarHBondContact O-N 2.84Å
50Y92.3Very high88.9Confident23 Ų2370.7 Ų70.79%0.0934%0.337CS..EExtended strand (participates in β ladder)trans-86143.4164.3-73.4-93.2000110.4D14 F48 V57 R58 P59 L371 T372 I389D14-Y50 VanDerWaalsContact CG-OH 3.31Å; D14-Y50 PolarHBondContact OD2-OH 3.08Å; F48-Y50 HydrophobicContact CE1-CD2 4.05Å; F48-Y50 AromaticContact CE1-CE2 3.69Å; F48-Y50 HydrophobicContact CE1-CE2 3.69Å; F48-Y50 HydrophobicContact CZ-CD2 4.47Å; F48-Y50 AromaticContact CZ-CE2 3.95Å; F48-Y50 HydrophobicContact CZ-CE2 3.95Å; Y50-V57 HydrophobicContact CD1-CG1 3.71Å; Y50-V57 HydrophobicContact CG-CG1 4.01Å; Y50-R58 WeakPolarHBondContact CA-O 3.47Å; Y50-P59 HydrophobicContact CD1-CB 4.14Å; Y50-P59 HydrophobicContact CE1-CB 3.74Å; Y50-P59 HydrophobicContact CE1-CG 4.19Å; Y50-L371 HydrophobicContact CD2-CB 3.57Å; Y50-L371 WeakPolarHBondContact CD2-O 3.5Å; Y50-L371 HydrophobicContact CE2-CB 3.65Å; Y50-L371 HydrophobicContact CE2-CD1 4.26Å; Y50-T372 HydrophobicContact CD1-CG2 4.05Å; Y50-T372 HydrophobicContact CD2-CG2 3.74Å; Y50-T372 HydrophobicContact CE1-CG2 4.17Å; Y50-T372 HydrophobicContact CE2-CG2 3.87Å; Y50-T372 HydrophobicContact CG-CG2 3.83Å; Y50-I389 WeakPolarHBondContact OH-CG2 3.38Å
51Q89.3Confident88.9Confident68 Ų6872.6 Ų72.632%0.31835%0.353SS..EExtended strand (participates in β ladder)trans-128.8132.4175.3-170.5174.819.400109.8L53 R58 V60Q51-L53 HydrophobicContact CG-CG 4.34Å; Q51-L53 PolarHBondContact O-N 2.94Å; Q51-R58 PolarHBondContact N-O 2.9Å; Q51-R58 PolarHBondContact O-N 2.83Å; Q51-V60 HydrophobicContact CB-CG2 3.93Å
52E85.2Confident89.1Confident126 Ų12674.9 Ų74.959%0.58936%0.361SS*.EExtended strand (participates in β ladder)trans-79.6116.3170.6-165.8-178.817700110H55E52-H55 WeakPolarHBondContact OE1-CA 3.29Å; E52-H55 IonicContact OE1-ND1 3.62Å
53L82Confident89.3Confident87 Ų8772.7 Ų72.746%0.45535%0.352SS..EExtended strand (participates in β ladder)trans-125.7114.9175-80.1157.2000108.3Q51 H55 K56Q51-L53 HydrophobicContact CG-CG 4.34Å; Q51-L53 PolarHBondContact O-N 2.94Å; L53-H55 PolarHBondContact O-N 2.82Å; L53-K56 PolarHBondContact N-O 2.84Å; L53-K56 PolarHBondContact O-N 3.27Å; L53-K56 VanDerWaalsContact O-N 3.09Å
54Q81.7Confident89.9Confident187 Ų18772.6 Ų72.687%0.87435%0.349SS*.THydrogen-bonded Turntrans53.649.6178.4-56.6177.7-11.400113K56Q54-K56 PolarHBondContact O-N 2.93Å
55H78.7Confident90Very high173 Ų17377.2 Ų77.280%0.80137%0.371SS*.THydrogen-bonded Turntrans60.723.7-177.1-53.6-65000114.9E52 L53E52-H55 WeakPolarHBondContact OE1-CA 3.29Å; E52-H55 IonicContact OE1-ND1 3.62Å; L53-H55 PolarHBondContact O-N 2.82Å
56K83Confident89.9Confident130 Ų13077.7 Ų77.757%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-126.3120.3171.1-67.3-174.4178.8-1780109.3L53 Q54L53-K56 PolarHBondContact N-O 2.84Å; L53-K56 PolarHBondContact O-N 3.27Å; L53-K56 VanDerWaalsContact O-N 3.09Å; Q54-K56 PolarHBondContact O-N 2.93Å
57V86.4Confident89.6Confident84 Ų8478.7 Ų78.751%0.50938%0.379SS..EExtended strand (participates in β ladder)trans-74.8125.3171.7-175.30000107.7Y50 T372Y50-V57 HydrophobicContact CD1-CG1 3.71Å; Y50-V57 HydrophobicContact CG-CG1 4.01Å; V57-T372 HydrophobicContact CG1-CG2 4.42Å
58R89.1Confident89.3Confident141 Ų14186 Ų8653%0.53241%0.407SS..EExtended strand (participates in β ladder)trans-132.5141.2-179.9-70.5-173.3176-178.5-0.3111.3Y50 Q51Y50-R58 WeakPolarHBondContact CA-O 3.47Å; Q51-R58 PolarHBondContact N-O 2.9Å; Q51-R58 PolarHBondContact O-N 2.83Å
59P91.9Very high89.1Confident48 Ų4887.1 Ų87.131%0.31241%0.413SS..EExtended strand (participates in β ladder)trans-68.8133.1172.628.9-33.4000109.8F48 Y50F48-P59 HydrophobicContact CE2-CB 3.63Å; F48-P59 HydrophobicContact CZ-CB 3.45Å; F48-P59 VanDerWaalsContact CZ-CB 3.45Å; Y50-P59 HydrophobicContact CD1-CB 4.14Å; Y50-P59 HydrophobicContact CE1-CB 3.74Å; Y50-P59 HydrophobicContact CE1-CG 4.19Å
60V92.5Very high88.9Confident39 Ų3985.1 Ų85.124%0.23641%0.41CS..EExtended strand (participates in β ladder)trans-127.1123.9177-179.70000108.6F48 R49 Q51F48-V60 WeakPolarHBondContact CA-O 3.27Å; R49-V60 PolarHBondContact N-O 2.88Å; R49-V60 PolarHBondContact O-N 2.84Å; Q51-V60 HydrophobicContact CB-CG2 3.93Å
61A93.3Very high88.4Confident40 Ų4089.8 Ų89.833%0.33144%0.44SS..EExtended strand (participates in β ladder)trans-108.6114.1169.200000108.8N17 V46 C47 F48N17-A61 HydrophobicContact CB-CB 4.09Å; N17-A61 VanDerWaalsContact OD1-CB 3.3Å; N17-A61 WeakPolarHBondContact OD1-CB 3.45Å; V46-A61 HydrophobicContact CG1-CB 3.85Å; C47-A61 CarbonylContact O-C 3.58Å; C47-A61 WeakPolarHBondContact O-CA 3.37Å; F48-A61 HydrophobicContact CD2-CB 4.29Å
62K92.9Very high88.2Confident105 Ų10591.4 Ų91.446%0.45745%0.451SS..EExtended strand (participates in β ladder)trans-119.5131-179-172.9179.7178.4-178.80110.2V46 C47 V64 E123V46-K62 CarbonylContact C-O 3.58Å; V46-K62 WeakPolarHBondContact CA-O 3.49Å; C47-K62 PolarHBondContact N-O 3.43Å; C47-K62 PolarHBondContact O-N 2.88Å; K62-V64 PolarHBondContact O-N 2.81Å; K62-E123 IonicContact NZ-OE1 2.55Å; K62-E123 PolarHBondContact NZ-OE1 3.22Å
63E92.9Very high88.6Confident93 Ų9385.4 Ų85.444%0.43542%0.423SS..EExtended strand (participates in β ladder)trans-67.9129.1171-172.717215500109.8K44 V45K44-E63 WeakPolarHBondContact CE-OE1 3.46Å; K44-E63 WeakPolarHBondContact CG-OE1 3.39Å; K44-E63 IonicContact NZ-OE1 2.79Å; K44-E63 PolarHBondContact NZ-OE1 3.27Å; K44-E63 IonicContact NZ-OE2 2.73Å; K44-E63 PolarHBondContact NZ-OE2 3.25Å; V45-E63 WeakPolarHBondContact O-CA 3.43Å
64V92.3Very high89.1Confident16 Ų1686.4 Ų86.410%0.09743%0.425CS..EExtended strand (participates in β ladder)trans-108.1125.2177.4-177.80000108V45 C47 K62 F66 L122 A126V45-V64 PolarHBondContact O-N 3.18Å; C47-V64 HydrophobicContact CB-CG2 3.47Å; C47-V64 VanDerWaalsContact CB-CG2 3.47Å; K62-V64 PolarHBondContact O-N 2.81Å; V64-F66 HydrophobicContact CB-CD2 4.39Å; V64-F66 HydrophobicContact CB-CE2 3.97Å; V64-F66 HydrophobicContact CG1-CD2 4Å; V64-F66 HydrophobicContact CG1-CE2 3.61Å; V64-F66 HydrophobicContact CG1-CZ 4.01Å; V64-F66 PolarHBondContact O-N 3.49Å; V64-L122 HydrophobicContact CG1-CD2 4.33Å; V64-L122 HydrophobicContact CG1-CG 4.09Å; V64-L122 HydrophobicContact CG2-CD2 3.7Å; V64-L122 HydrophobicContact CG2-CG 4.33Å; V64-A126 HydrophobicContact CG1-CB 4.1Å
65Q91.3Very high89.8Confident159 Ų15977.5 Ų77.574%0.74338%0.384SS*.  trans-97.595.8-175.5-150.5175.218.600109.6
66F92Very high90.7Very high11 Ų1170.6 Ų70.65%0.04835%0.354CS..  trans-76124.8175.7-75.4-85.5000110.9L37 V45 V64 I69 V92 I94 Y111 L122 A126L37-F66 HydrophobicContact CD1-CZ 4.37Å; V45-F66 HydrophobicContact CB-CD2 3.9Å; V45-F66 HydrophobicContact CB-CE2 3.78Å; V45-F66 HydrophobicContact CG1-CD2 4.38Å; V45-F66 HydrophobicContact CG1-CE2 3.77Å; V45-F66 HydrophobicContact CG2-CD2 3.85Å; V45-F66 HydrophobicContact CG2-CE2 4.04Å; V64-F66 HydrophobicContact CB-CD2 4.39Å; V64-F66 HydrophobicContact CB-CE2 3.97Å; V64-F66 HydrophobicContact CG1-CD2 4Å; V64-F66 HydrophobicContact CG1-CE2 3.61Å; V64-F66 HydrophobicContact CG1-CZ 4.01Å; V64-F66 PolarHBondContact O-N 3.49Å; F66-I69 HydrophobicContact CB-CD1 3.7Å; F66-I69 HydrophobicContact CB-CG1 4.14Å; F66-I69 PolarHBondContact O-N 3.04Å; F66-V92 HydrophobicContact CE1-CB 4.26Å; F66-V92 HydrophobicContact CE1-CG1 4.1Å; F66-V92 HydrophobicContact CZ-CG1 4.06Å; F66-I94 HydrophobicContact CB-CD1 4.24Å; F66-I94 HydrophobicContact CD1-CD1 3.8Å; F66-I94 HydrophobicContact CD2-CD1 3.72Å; F66-I94 HydrophobicContact CE1-CD1 4.01Å; F66-I94 HydrophobicContact CE2-CD1 3.95Å; F66-I94 HydrophobicContact CG-CD1 3.64Å; F66-I94 HydrophobicContact CZ-CD1 4.08Å; F66-Y111 HydrophobicContact CB-CE1 4.13Å; F66-Y111 HydrophobicContact CB-CE2 4.2Å; F66-Y111 AromaticContact CD1-CD1 3.81Å; F66-Y111 HydrophobicContact CD1-CD1 3.81Å; F66-Y111 AromaticContact CD1-CD2 3.55Å; F66-Y111 HydrophobicContact CD1-CD2 3.55Å; F66-Y111 AromaticContact CD1-CE1 3.78Å; F66-Y111 HydrophobicContact CD1-CE1 3.78Å; F66-Y111 AromaticContact CD1-CE2 3.55Å; F66-Y111 HydrophobicContact CD1-CE2 3.55Å; F66-Y111 AromaticContact CD1-CG 3.7Å; F66-Y111 HydrophobicContact CD1-CG 3.7Å; F66-Y111 AromaticContact CD1-CZ 3.68Å; F66-Y111 HydrophobicContact CE1-CD1 4.45Å; F66-Y111 AromaticContact CE1-CD2 3.89Å; F66-Y111 HydrophobicContact CE1-CD2 3.89Å; F66-Y111 HydrophobicContact CE1-CE2 4.3Å; F66-Y111 AromaticContact CE1-CG 3.99Å; F66-Y111 HydrophobicContact CE1-CG 3.99Å; F66-Y111 HydrophobicContact CG-CE1 4.46Å; F66-Y111 HydrophobicContact CG-CE2 4.18Å; F66-L122 HydrophobicContact CZ-CD1 4.39Å; F66-A126 HydrophobicContact CD1-CB 3.9Å; F66-A126 HydrophobicContact CE1-CB 4.17Å; F66-A126 HydrophobicContact CG-CB 4.31Å
67T90.1Very high91.4Very high39 Ų3964.4 Ų64.424%0.23933%0.327CS..THydrogen-bonded Turntrans-68147-178.1-57.70000110.4I69 Y111 A126 Q127T67-I69 VanDerWaalsContact C-N 3.27Å; T67-I69 PolarHBondContact O-N 3.44Å; T67-Y111 WeakPolarHBondContact O-CE1 3.48Å; T67-Y111 PolarHBondContact O-OH 3.27Å; T67-A126 WeakPolarHBondContact CB-O 3.5Å; T67-A126 PolarHBondContact N-O 3.37Å; T67-A126 PolarHBondContact OG1-O 3.37Å; T67-Q127 PolarHBondContact OG1-NE2 2.95Å; T67-Q127 VanDerWaalsContact OG1-NE2 3.12Å; T67-Q127 PolarHBondContact OG1-OE1 2.67Å
68Y89.4Confident91.9Very high161 Ų16160.6 Ų60.663%0.63130%0.304SS*.THydrogen-bonded Turntrans66.517.8-175.7-52.7-73.8000115.9P70 F96 N109 C129Y68-P70 WeakPolarHBondContact O-CD 3.25Å; Y68-F96 WeakPolarHBondContact O-CZ 3.43Å; Y68-N109 PolarHBondContact O-ND2 3.21Å; Y68-C129 HydrophobicContact CD2-CB 3.72Å; Y68-C129 HydrophobicContact CE2-CB 4.22Å
69I91.6Very high92.3Very high24 Ų2454.8 Ų54.812%0.12328%0.283CS..  trans-104.1110.1164.3-54.9-170.8000108.7F66 T67 A73 I94 F96 Y111F66-I69 HydrophobicContact CB-CD1 3.7Å; F66-I69 HydrophobicContact CB-CG1 4.14Å; F66-I69 PolarHBondContact O-N 3.04Å; T67-I69 VanDerWaalsContact C-N 3.27Å; T67-I69 PolarHBondContact O-N 3.44Å; I69-A73 HydrophobicContact CG2-CB 4.13Å; I69-I94 HydrophobicContact CD1-CB 4.2Å; I69-I94 HydrophobicContact CD1-CD1 3.79Å; I69-I94 HydrophobicContact CD1-CG2 3.81Å; I69-F96 HydrophobicContact CD1-CD1 4.39Å; I69-F96 HydrophobicContact CG1-CD1 4.25Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CZ 4.46Å; I69-Y111 WeakPolarHBondContact CG1-OH 3.5Å
70P88.1Confident92.5Very high34 Ų3452.7 Ų52.722%0.22127%0.27CS..  trans-59.5149.2173.6-2333.2000112.3Y68 D72 A73 K98Y68-P70 WeakPolarHBondContact O-CD 3.25Å; P70-D72 WeakPolarHBondContact CB-OD1 3.34Å; P70-D72 PolarHBondContact O-N 2.59Å; P70-A73 HydrophobicContact CB-CB 4.16Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 VanDerWaalsContact O-CB 3.24Å; P70-A73 WeakPolarHBondContact O-CB 3.41Å; P70-A73 PolarHBondContact O-N 2.92Å; P70-K98 HydrophobicContact CG-CD 4.05Å; P70-K98 HydrophobicContact CG-CG 4.21Å
71V83.4Confident92.6Very high120 Ų12051.3 Ų51.373%0.72726%0.261SS*.THydrogen-bonded Turntrans-64.9-28.1-179.3178.20000112.3K42K42-V71 CarbonylContact C-O 3.58Å
72D84.9Confident92.4Very high103 Ų10352.5 Ų52.555%0.55126%0.261SS*.THydrogen-bonded Turntrans-91.42.8177.557.7-21.1000113.4P70P70-D72 WeakPolarHBondContact CB-OD1 3.34Å; P70-D72 PolarHBondContact O-N 2.59Å
73A92Very high91.9Very high0 Ų048.3 Ų48.30%024%0.243CC..  trans-73.2142176.400000112.2K42 G43 I69 P70 F96 I97K42-A73 CarbonylContact C-O 3.52Å; G43-A73 WeakPolarHBondContact CA-O 3.27Å; G43-A73 PolarHBondContact N-O 2.79Å; I69-A73 HydrophobicContact CG2-CB 4.13Å; P70-A73 HydrophobicContact CB-CB 4.16Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 VanDerWaalsContact O-CB 3.24Å; P70-A73 WeakPolarHBondContact O-CB 3.41Å; P70-A73 PolarHBondContact O-N 2.92Å; A73-F96 HydrophobicContact CB-CB 4.33Å; A73-F96 HydrophobicContact CB-CD2 3.64Å; A73-F96 HydrophobicContact CB-CE2 4.34Å; A73-F96 HydrophobicContact CB-CG 4.27Å; A73-I97 WeakPolarHBondContact CA-O 3.36Å
74E93.8Very high91Very high107 Ų10746 Ų4650%0.524%0.238SC..EExtended strand (participates in β ladder)trans-93.6107.2173.4-61.1-168.8155.800109.8L41 V76 F96 I97L41-E74 WeakPolarHBondContact O-CA 3.48Å; E74-V76 PolarHBondContact O-N 3.46Å; E74-F96 CarbonylContact O-C 3.54Å; E74-F96 WeakPolarHBondContact O-CA 3.38Å; E74-F96 WeakPolarHBondContact O-CB 3.33Å; E74-I97 PolarHBondContact N-O 2.56Å; E74-I97 PolarHBondContact O-N 2.75Å
75I95.9Very high89.6Confident0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-70.2126.2175.5-58.6175.3000108.7N24 A39 V45 I94 T95 F96N24-I75 PolarHBondContact ND2-O 3.34Å; A39-I75 HydrophobicContact CB-CB 4.25Å; A39-I75 HydrophobicContact CB-CD1 4.04Å; A39-I75 HydrophobicContact CB-CG2 3.65Å; V45-I75 HydrophobicContact CG2-CD1 3.69Å; I75-I94 HydrophobicContact CD1-CG2 4.45Å; I75-I94 HydrophobicContact CG1-CG2 4.4Å; I75-I94 HydrophobicContact CG2-CG2 3.79Å; I75-T95 WeakPolarHBondContact CG2-O 3.28Å; I75-F96 HydrophobicContact CG1-CB 4.35Å
76V96.8Very high88.4Confident28 Ų2848 Ų4817%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-96.3-49.1-177.21770000110.8N24 E74 T95 I97 P138N24-V76 PolarHBondContact ND2-O 2.76Å; N24-V76 VanDerWaalsContact ND2-O 3.13Å; N24-V76 PolarHBondContact OD1-O 2.84Å; E74-V76 PolarHBondContact O-N 3.46Å; V76-T95 PolarHBondContact N-O 2.84Å; V76-I97 HydrophobicContact CG2-CD1 3.79Å; V76-I97 HydrophobicContact CG2-CG1 3.79Å; V76-P138 HydrophobicContact CB-CG 4.34Å; V76-P138 HydrophobicContact CG1-CG 4.28Å; V76-P138 WeakPolarHBondContact CG1-O 3.49Å; V76-P138 HydrophobicContact CG2-CG 4.47Å
77S97.9Very high87.2Confident0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-147.5150.3176.4560000112Y26 T95 F139 L141Y26-S77 VanDerWaalsContact CB-CB 3.42Å; Y26-S77 WeakPolarHBondContact O-CA 3.49Å; S77-T95 PolarHBondContact N-O 2.83Å; S77-T95 PolarHBondContact N-OG1 2.89Å; S77-T95 VanDerWaalsContact N-OG1 3.07Å; S77-T95 PolarHBondContact O-N 2.93Å; S77-T95 PolarHBondContact OG-OG1 3.16Å; S77-F139 VanDerWaalsContact CB-O 3.27Å; S77-F139 WeakPolarHBondContact CB-O 3.49Å; S77-F139 PolarHBondContact OG-O 2.93Å; S77-L141 WeakPolarHBondContact OG-CB 3.39Å; S77-L141 PolarHBondContact OG-N 3.47Å
78I98.1Very high86.2Confident5 Ų558.3 Ų58.33%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-132.3137173-175.3163.5000108.8Y26 L37 A39 V45 V92 G93 I94Y26-I78 PolarHBondContact O-N 2.85Å; L37-I78 HydrophobicContact CB-CD1 3.89Å; L37-I78 HydrophobicContact CD1-CD1 4.11Å; A39-I78 HydrophobicContact CB-CB 4.16Å; A39-I78 HydrophobicContact CB-CD1 4.46Å; A39-I78 HydrophobicContact CB-CG2 3.72Å; V45-I78 HydrophobicContact CG1-CD1 3.79Å; V45-I78 HydrophobicContact CG2-CD1 4.25Å; I78-V92 HydrophobicContact CD1-CG1 4.18Å; I78-V92 HydrophobicContact CG1-CG1 4.19Å; I78-G93 WeakPolarHBondContact CA-O 3.48Å; I78-I94 HydrophobicContact CD1-CD1 4Å; I78-I94 HydrophobicContact CD1-CG1 3.96Å; I78-I94 HydrophobicContact CG1-CG1 3.98Å
79D97.9Very high85.8Confident18 Ų1851.3 Ų51.310%0.09628%0.28CS..EExtended strand (participates in β ladder)trans-146.2152.6173.3-167.321.5000110G93 L141 Y142 H143 F157D79-G93 PolarHBondContact N-O 3.2Å; D79-G93 PolarHBondContact O-N 2.94Å; D79-L141 HydrophobicContact CB-CB 4.33Å; D79-L141 HydrophobicContact CB-CD2 3.97Å; D79-L141 HydrophobicContact CB-CG 3.95Å; D79-Y142 WeakPolarHBondContact OD2-CA 3.42Å; D79-H143 VanDerWaalsContact CG-ND1 3.29Å; D79-H143 IonicContact OD1-CE1 3.48Å; D79-H143 IonicContact OD1-ND1 2.67Å; D79-H143 PolarHBondContact OD1-ND1 2.71Å; D79-H143 VanDerWaalsContact OD1-ND1 3.15Å; D79-H143 WeakPolarHBondContact OD2-CB 3.33Å; D79-H143 IonicContact OD2-CE1 3.12Å; D79-H143 IonicContact OD2-CG 3.82Å; D79-H143 PolarHBondContact OD2-N 3.04Å; D79-H143 IonicContact OD2-ND1 2.68Å; D79-H143 PolarHBondContact OD2-ND1 3.44Å; D79-F157 HydrophobicContact CB-CE1 4.19Å
80A96.1Very high85.7Confident4 Ų450.2 Ų50.23%0.03327%0.274CS..EExtended strand (participates in β ladder)trans-150.6149.8-177.700000112Q30 L90 V91 V92 H143Q30-A80 WeakPolarHBondContact O-CB 3.2Å; A80-L90 HydrophobicContact CB-CD1 4.13Å; A80-V91 CarbonylContact C-O 3.53Å; A80-V91 WeakPolarHBondContact CA-O 3.35Å; A80-V91 WeakPolarHBondContact CB-O 3.39Å; A80-V92 HydrophobicContact CB-CB 4.37Å; A80-V92 HydrophobicContact CB-CG1 4.34Å; A80-V92 HydrophobicContact CB-CG2 4Å; A80-H143 PolarHBondContact O-CE1 3.43Å; A80-H143 VanDerWaalsContact O-CE1 3.25Å
81F93.7Very high85.9Confident11 Ų1148.6 Ų48.65%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-148.6156.217865-100000111.8K83 V91 H143 T155 F157 F178F81-K83 HydrophobicContact CE2-CG 4.39Å; F81-V91 HydrophobicContact CD1-CB 4.38Å; F81-V91 HydrophobicContact CD2-CB 4.22Å; F81-V91 HydrophobicContact CD2-CG2 4.32Å; F81-V91 HydrophobicContact CE1-CB 4.05Å; F81-V91 HydrophobicContact CE1-CG1 4.1Å; F81-V91 HydrophobicContact CE2-CB 3.84Å; F81-V91 HydrophobicContact CE2-CG1 4.5Å; F81-V91 HydrophobicContact CE2-CG2 3.69Å; F81-V91 HydrophobicContact CG-CB 4.48Å; F81-V91 HydrophobicContact CZ-CB 3.76Å; F81-V91 HydrophobicContact CZ-CG1 3.94Å; F81-V91 HydrophobicContact CZ-CG2 3.91Å; F81-V91 PolarHBondContact N-O 2.8Å; F81-V91 PolarHBondContact O-N 2.81Å; F81-H143 HydrophobicContact CD1-CB 3.57Å; F81-H143 AromaticContact CD1-CG 3.81Å; F81-H143 HydrophobicContact CE1-CB 4.12Å; F81-H143 HydrophobicContact CG-CB 4.36Å; F81-T155 HydrophobicContact CB-CG2 4.2Å; F81-T155 HydrophobicContact CD1-CG2 3.79Å; F81-T155 HydrophobicContact CD2-CG2 3.51Å; F81-T155 HydrophobicContact CE1-CG2 3.89Å; F81-T155 HydrophobicContact CE2-CG2 3.68Å; F81-T155 HydrophobicContact CG-CG2 3.58Å; F81-T155 HydrophobicContact CZ-CG2 3.85Å; F81-F157 AromaticContact CD1-CE1 3.79Å; F81-F157 HydrophobicContact CD1-CE1 3.79Å; F81-F157 HydrophobicContact CD1-CE2 4.22Å; F81-F157 AromaticContact CD1-CZ 3.62Å; F81-F157 HydrophobicContact CD1-CZ 3.62Å; F81-F157 HydrophobicContact CE1-CD1 4.19Å; F81-F157 AromaticContact CE1-CD2 3.91Å; F81-F157 HydrophobicContact CE1-CD2 3.91Å; F81-F157 AromaticContact CE1-CE1 3.71Å; F81-F157 HydrophobicContact CE1-CE1 3.71Å; F81-F157 AromaticContact CE1-CE2 3.4Å; F81-F157 HydrophobicContact CE1-CE2 3.4Å; F81-F157 HydrophobicContact CE1-CG 4.28Å; F81-F157 AromaticContact CE1-CZ 3.29Å; F81-F157 HydrophobicContact CE1-CZ 3.29Å; F81-F157 HydrophobicContact CZ-CE2 4.18Å; F81-F157 HydrophobicContact CZ-CZ 4.39Å; F81-F178 HydrophobicContact CZ-CE1 4.35Å; F81-F178 HydrophobicContact CZ-CZ 4.12Å
82N88.5Confident86.5Confident64 Ų6442.9 Ų42.934%0.34223%0.229SC..EExtended strand (participates in β ladder)trans-91.5132.1171.9-60.6-53.2000109.5G32 G89G32-N82 WeakPolarHBondContact CA-ND2 3.34Å; G32-N82 WeakPolarHBondContact CA-OD1 3.47Å; G32-N82 PolarHBondContact O-ND2 3.3Å; N82-G89 CarbonylContact C-O 3.55Å; N82-G89 WeakPolarHBondContact CA-O 3.37Å
83K83.3Confident87.1Confident18 Ų1838 Ų388%0.07820%0.203CC..PPolyproline II helixtrans-61.7139.3174.9-67.1-167.6177.4-167.70110.9F81 K87 G89 V91 C112 Y114 E171F81-K83 HydrophobicContact CE2-CG 4.39Å; K83-K87 HydrophobicContact CB-CB 4.4Å; K83-K87 WeakPolarHBondContact CB-O 3.38Å; K83-K87 HydrophobicContact CD-CB 4.19Å; K83-K87 WeakPolarHBondContact CD-O 3.3Å; K83-G89 PolarHBondContact N-O 2.84Å; K83-V91 HydrophobicContact CD-CG2 4.19Å; K83-V91 HydrophobicContact CG-CG2 3.78Å; K83-C112 WeakPolarHBondContact CE-SG 3.4Å; K83-C112 PolarHBondContact NZ-SG 2.98Å; K83-Y114 PolarHBondContact NZ-OH 2.85Å; K83-E171 VanDerWaalsContact CE-OE2 3.28Å; K83-E171 WeakPolarHBondContact CE-OE2 3.07Å; K83-E171 IonicContact NZ-OE1 3.2Å; K83-E171 PolarHBondContact NZ-OE1 2.84Å; K83-E171 VanDerWaalsContact NZ-OE1 3.12Å; K83-E171 IonicContact NZ-OE2 3.41Å; K83-E171 PolarHBondContact NZ-OE2 3.22Å
84S73.2Confident87.4Confident45 Ų4538 Ų3832%0.31520%0.203SC..PPolyproline II helixtrans-61.3150.9173.557.60000111.3K87 L153S84-K87 PolarHBondContact O-N 3.2Å; S84-L153 PolarHBondContact OG-O 3.39Å
85S64.3Low87.6Confident102 Ų10232.9 Ų32.971%0.71318%0.179SC*.THydrogen-bonded Turntrans-58.8133.3173.7177.60000109.7
86P65.4Low87.6Confident114 Ų11433 Ų3374%0.7418%0.18SC*.THydrogen-bonded Turncis-98.1-615.736.7-35.5000115.5R88P86-R88 PolarHBondContact O-N 3.25Å
87K65.9Low87.5Confident88 Ų8833.1 Ų33.138%0.38318%0.179SC..SBendtrans-76.829.8-168.8-63.7178.9-177.1169.60113.7K83 S84 G89 E151K83-K87 HydrophobicContact CB-CB 4.4Å; K83-K87 WeakPolarHBondContact CB-O 3.38Å; K83-K87 HydrophobicContact CD-CB 4.19Å; K83-K87 WeakPolarHBondContact CD-O 3.3Å; S84-K87 PolarHBondContact O-N 3.2Å; K87-G89 PolarHBondContact O-N 3.09Å; K87-E151 IonicContact NZ-OE2 2.78Å
88R70.2Confident87.2Confident179 Ų17937.1 Ų37.168%0.67520%0.197SC*.  trans-32.8128.2-172.4-67-175.3178.1-177.7-2112.9P86P86-R88 PolarHBondContact O-N 3.25Å
89G80.4Confident86.6Confident14 Ų1441.4 Ų41.414%0.14422%0.22CC..  trans166.2155.8178.500000111.4N82 K83 K87N82-G89 CarbonylContact C-O 3.55Å; N82-G89 WeakPolarHBondContact CA-O 3.37Å; K83-G89 PolarHBondContact N-O 2.84Å; K87-G89 PolarHBondContact O-N 3.09Å
90L89Confident85.5Confident0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-93.6131.4175.8172.871.4000109.4A31 A80 V92 F120 L122 I125A31-L90 HydrophobicContact CB-CD1 4.25Å; A31-L90 HydrophobicContact CB-CD2 3.94Å; A80-L90 HydrophobicContact CB-CD1 4.13Å; L90-V92 HydrophobicContact CD2-CG2 4Å; L90-V92 HydrophobicContact CG-CG2 3.97Å; L90-F120 HydrophobicContact CB-CB 4.38Å; L90-F120 HydrophobicContact CB-CD1 4.24Å; L90-F120 HydrophobicContact CB-CD2 3.92Å; L90-F120 HydrophobicContact CB-CE2 4.29Å; L90-F120 HydrophobicContact CB-CG 3.91Å; L90-F120 HydrophobicContact CD2-CD2 3.85Å; L90-F120 HydrophobicContact CD2-CE2 3.61Å; L90-F120 HydrophobicContact CD2-CZ 4.22Å; L90-L122 HydrophobicContact CD2-CD1 3.95Å; L90-I125 HydrophobicContact CB-CD1 3.69Å; L90-I125 HydrophobicContact CD2-CD1 4.06Å; L90-I125 HydrophobicContact CG-CD1 4.2Å
91V92.8Very high84.4Confident0 Ų046.9 Ų46.90%027%0.269CS..EExtended strand (participates in β ladder)trans-110130.8171.6-173.50000108.2A80 F81 K83 I110 Y111 C112 F157 F178A80-V91 CarbonylContact C-O 3.53Å; A80-V91 WeakPolarHBondContact CA-O 3.35Å; A80-V91 WeakPolarHBondContact CB-O 3.39Å; F81-V91 HydrophobicContact CD1-CB 4.38Å; F81-V91 HydrophobicContact CD2-CB 4.22Å; F81-V91 HydrophobicContact CD2-CG2 4.32Å; F81-V91 HydrophobicContact CE1-CB 4.05Å; F81-V91 HydrophobicContact CE1-CG1 4.1Å; F81-V91 HydrophobicContact CE2-CB 3.84Å; F81-V91 HydrophobicContact CE2-CG1 4.5Å; F81-V91 HydrophobicContact CE2-CG2 3.69Å; F81-V91 HydrophobicContact CG-CB 4.48Å; F81-V91 HydrophobicContact CZ-CB 3.76Å; F81-V91 HydrophobicContact CZ-CG1 3.94Å; F81-V91 HydrophobicContact CZ-CG2 3.91Å; F81-V91 PolarHBondContact N-O 2.8Å; F81-V91 PolarHBondContact O-N 2.81Å; K83-V91 HydrophobicContact CD-CG2 4.19Å; K83-V91 HydrophobicContact CG-CG2 3.78Å; V91-I110 HydrophobicContact CG1-CG2 3.76Å; V91-Y111 CarbonylContact C-O 3.38Å; V91-Y111 WeakPolarHBondContact CA-O 3.3Å; V91-C112 HydrophobicContact CG1-CB 4.46Å; V91-C112 HydrophobicContact CG2-CB 4.31Å; V91-F157 HydrophobicContact CG1-CE2 3.68Å; V91-F157 HydrophobicContact CG1-CZ 4.05Å; V91-F178 HydrophobicContact CG1-CE2 3.98Å; V91-F178 HydrophobicContact CG1-CZ 3.83Å; V91-F178 HydrophobicContact CG2-CZ 4.39Å
92V96.1Very high83.3Confident0 Ų054.5 Ų54.50%031%0.31CS..EExtended strand (participates in β ladder)trans-122.8122.2176.8-173.60000108.6L37 F66 I78 A80 L90 I94 Y111 I125L37-V92 HydrophobicContact CD1-CG1 3.86Å; L37-V92 HydrophobicContact CD1-CG2 4Å; F66-V92 HydrophobicContact CE1-CB 4.26Å; F66-V92 HydrophobicContact CE1-CG1 4.1Å; F66-V92 HydrophobicContact CZ-CG1 4.06Å; I78-V92 HydrophobicContact CD1-CG1 4.18Å; I78-V92 HydrophobicContact CG1-CG1 4.19Å; A80-V92 HydrophobicContact CB-CB 4.37Å; A80-V92 HydrophobicContact CB-CG1 4.34Å; A80-V92 HydrophobicContact CB-CG2 4Å; L90-V92 HydrophobicContact CD2-CG2 4Å; L90-V92 HydrophobicContact CG-CG2 3.97Å; V92-I94 HydrophobicContact CG1-CD1 4.24Å; V92-I94 HydrophobicContact CG1-CG1 3.98Å; V92-Y111 PolarHBondContact N-O 2.98Å; V92-Y111 WeakPolarHBondContact O-CD2 3.1Å; V92-Y111 PolarHBondContact O-N 3.48Å; V92-I125 HydrophobicContact CG2-CG2 4.41Å
93G97.4Very high83Confident0 Ų057.8 Ų57.80%032%0.322CS..EExtended strand (participates in β ladder)trans-103.1133.5170.500000110.6I78 D79 N109 L141I78-G93 WeakPolarHBondContact CA-O 3.48Å; D79-G93 PolarHBondContact N-O 3.2Å; D79-G93 PolarHBondContact O-N 2.94Å; G93-N109 CarbonylContact C-O 3.48Å; G93-N109 WeakPolarHBondContact CA-O 3.5Å; G93-L141 VanDerWaalsContact O-CD2 3.3Å; G93-L141 WeakPolarHBondContact O-CD2 3.39Å
94I97.8Very high83.3Confident0 Ų059.7 Ų59.70%034%0.341CS..EExtended strand (participates in β ladder)trans-132.3123.2178.8-53.1-179.2000108.8V45 F66 I69 I75 I78 V92 N109 Y111V45-I94 HydrophobicContact CG2-CD1 4.19Å; F66-I94 HydrophobicContact CB-CD1 4.24Å; F66-I94 HydrophobicContact CD1-CD1 3.8Å; F66-I94 HydrophobicContact CD2-CD1 3.72Å; F66-I94 HydrophobicContact CE1-CD1 4.01Å; F66-I94 HydrophobicContact CE2-CD1 3.95Å; F66-I94 HydrophobicContact CG-CD1 3.64Å; F66-I94 HydrophobicContact CZ-CD1 4.08Å; I69-I94 HydrophobicContact CD1-CB 4.2Å; I69-I94 HydrophobicContact CD1-CD1 3.79Å; I69-I94 HydrophobicContact CD1-CG2 3.81Å; I75-I94 HydrophobicContact CD1-CG2 4.45Å; I75-I94 HydrophobicContact CG1-CG2 4.4Å; I75-I94 HydrophobicContact CG2-CG2 3.79Å; I78-I94 HydrophobicContact CD1-CD1 4Å; I78-I94 HydrophobicContact CD1-CG1 3.96Å; I78-I94 HydrophobicContact CG1-CG1 3.98Å; V92-I94 HydrophobicContact CG1-CD1 4.24Å; V92-I94 HydrophobicContact CG1-CG1 3.98Å; I94-N109 PolarHBondContact N-O 2.67Å; I94-N109 PolarHBondContact O-N 2.81Å; I94-Y111 HydrophobicContact CB-CE2 4.38Å; I94-Y111 HydrophobicContact CD1-CD2 4.27Å; I94-Y111 HydrophobicContact CD1-CE2 3.82Å; I94-Y111 HydrophobicContact CG1-CD2 4.39Å; I94-Y111 HydrophobicContact CG1-CE2 4.09Å
95T98Very high84.3Confident0 Ų058.5 Ų58.50%033%0.332CS..EExtended strand (participates in β ladder)trans-101.4139.4169.771.70000110.6I75 V76 S77 F107 L108 P138 L141 L159I75-T95 WeakPolarHBondContact CG2-O 3.28Å; V76-T95 PolarHBondContact N-O 2.84Å; S77-T95 PolarHBondContact N-O 2.83Å; S77-T95 PolarHBondContact N-OG1 2.89Å; S77-T95 VanDerWaalsContact N-OG1 3.07Å; S77-T95 PolarHBondContact O-N 2.93Å; S77-T95 PolarHBondContact OG-OG1 3.16Å; T95-F107 VanDerWaalsContact CA-O 3.26Å; T95-F107 WeakPolarHBondContact CA-O 3.21Å; T95-L108 HydrophobicContact CG2-CB 4.38Å; T95-L108 HydrophobicContact CG2-CD1 3.74Å; T95-P138 HydrophobicContact CG2-CB 4.12Å; T95-P138 HydrophobicContact CG2-CG 4.36Å; T95-L141 HydrophobicContact CG2-CB 4.47Å; T95-L159 HydrophobicContact CG2-CD1 3.81Å; T95-L159 HydrophobicContact CG2-CD2 4.02Å
96F96.8Very high85.8Confident3 Ų354.3 Ų54.31%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-151.5160.117962.5-86000111.8Y68 I69 A73 E74 I75 P106 F107 N109Y68-F96 WeakPolarHBondContact O-CZ 3.43Å; I69-F96 HydrophobicContact CD1-CD1 4.39Å; I69-F96 HydrophobicContact CG1-CD1 4.25Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CZ 4.46Å; A73-F96 HydrophobicContact CB-CB 4.33Å; A73-F96 HydrophobicContact CB-CD2 3.64Å; A73-F96 HydrophobicContact CB-CE2 4.34Å; A73-F96 HydrophobicContact CB-CG 4.27Å; E74-F96 CarbonylContact O-C 3.54Å; E74-F96 WeakPolarHBondContact O-CA 3.38Å; E74-F96 WeakPolarHBondContact O-CB 3.33Å; I75-F96 HydrophobicContact CG1-CB 4.35Å; F96-P106 CarbonylContact O-C 3.57Å; F96-P106 WeakPolarHBondContact O-CA 3.45Å; F96-F107 HydrophobicContact CD1-CB 4.32Å; F96-F107 HydrophobicContact CD2-CB 4.33Å; F96-F107 HydrophobicContact CD2-CD2 4.37Å; F96-F107 HydrophobicContact CE1-CB 3.77Å; F96-F107 HydrophobicContact CE2-CB 3.82Å; F96-F107 AromaticContact CE2-CD2 3.76Å; F96-F107 HydrophobicContact CE2-CD2 3.76Å; F96-F107 HydrophobicContact CE2-CG 4.02Å; F96-F107 HydrophobicContact CZ-CB 3.52Å; F96-F107 HydrophobicContact CZ-CD2 4.2Å; F96-F107 AromaticContact CZ-CG 3.98Å; F96-F107 HydrophobicContact CZ-CG 3.98Å; F96-F107 PolarHBondContact N-O 3.22Å; F96-F107 PolarHBondContact O-N 2.92Å; F96-N109 HydrophobicContact CE1-CB 4.29Å; F96-N109 WeakPolarHBondContact CE1-ND2 3.37Å
97I95.2Very high87.3Confident30 Ų3050.2 Ų50.215%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-111.3124.6175.4-60.5172000108A73 E74 V76 A104 P106 T137A73-I97 WeakPolarHBondContact CA-O 3.36Å; E74-I97 PolarHBondContact N-O 2.56Å; E74-I97 PolarHBondContact O-N 2.75Å; V76-I97 HydrophobicContact CG2-CD1 3.79Å; V76-I97 HydrophobicContact CG2-CG1 3.79Å; I97-A104 HydrophobicContact CG2-CB 3.68Å; I97-P106 HydrophobicContact CG1-CB 4.32Å; I97-T137 HydrophobicContact CD1-CG2 4.17Å
98K92.3Very high88.8Confident84 Ų8446 Ų4637%0.36525%0.254SS..EExtended strand (participates in β ladder)trans-92.7114.4171.8-175.4-177.3179.6-1780109P70 S100 T105 F107P70-K98 HydrophobicContact CG-CD 4.05Å; P70-K98 HydrophobicContact CG-CG 4.21Å; K98-S100 PolarHBondContact O-N 3.1Å; K98-T105 PolarHBondContact N-O 3.4Å; K98-T105 PolarHBondContact O-N 2.84Å; K98-F107 HydrophobicContact CB-CD2 4.28Å; K98-F107 HydrophobicContact CB-CE2 3.95Å; K98-F107 HydrophobicContact CD-CE2 4.43Å
99D84.6Confident90.1Very high96 Ų9637.5 Ų37.551%0.51322%0.222SC..EExtended strand (participates in β ladder)trans-82.7109.6171.4-170.51.6000109.7G101D99-G101 PolarHBondContact OD1-N 3.12Å
100S75.2Confident90.8Very high72 Ų7237 Ų3750%0.50322%0.216SC..  trans-95.27.5177.9-44.10000112.4K98 D102 K103K98-S100 PolarHBondContact O-N 3.1Å; S100-D102 PolarHBondContact O-N 3.4Å; S100-D102 VanDerWaalsContact O-N 3.16Å; S100-K103 PolarHBondContact N-O 3.01Å
101G72.3Confident91Very high64 Ų6437 Ų3766%0.6622%0.216SC*.SBendtrans83.4-42.3-174.200000114D99D99-G101 PolarHBondContact OD1-N 3.12Å
102D71.7Confident90.7Very high172 Ų17237.3 Ų37.392%0.9222%0.218SC*.SBendtrans-96.4-28.5179.5-76.5-19.8000113.4S100S100-D102 PolarHBondContact O-N 3.4Å; S100-D102 VanDerWaalsContact O-N 3.16Å
103K81.6Confident89.7Confident133 Ų13339 Ų3958%0.57823%0.228SC*.  trans-152.1132.3178.3-165.9-179.6177.7-167.60110.3S100S100-K103 PolarHBondContact N-O 3.01Å
104A89.6Confident88Confident58 Ų5842.9 Ų42.948%0.47924%0.242SC..EExtended strand (participates in β ladder)trans-77.1115.3165.700000108.6I97I97-A104 HydrophobicContact CG2-CB 3.68Å
105T94.1Very high86.1Confident20 Ų2048 Ų4812%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-109.7117.6-179.5-540000109.7K98 F107 E133K98-T105 PolarHBondContact N-O 3.4Å; K98-T105 PolarHBondContact O-N 2.84Å; T105-F107 HydrophobicContact CG2-CD2 4.38Å; T105-F107 HydrophobicContact CG2-CE2 3.57Å; T105-F107 HydrophobicContact CG2-CZ 3.64Å; T105-F107 VanDerWaalsContact O-CD2 3.28Å; T105-F107 WeakPolarHBondContact O-CD2 3.41Å; T105-F107 WeakPolarHBondContact O-CE2 3.38Å; T105-E133 HydrophobicContact CG2-CG 3.74Å
106P96.2Very high84Confident14 Ų1454.5 Ų54.59%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-81.9145.2178.128.3-26.1000112F96 I97 L134 F136F96-P106 CarbonylContact O-C 3.57Å; F96-P106 WeakPolarHBondContact O-CA 3.45Å; I97-P106 HydrophobicContact CG1-CB 4.32Å; P106-L134 HydrophobicContact CB-CB 4.1Å; P106-L134 HydrophobicContact CB-CD1 4.42Å; P106-L134 HydrophobicContact CG-CB 4.01Å; P106-L134 WeakPolarHBondContact CG-O 3.29Å; P106-L134 PolarHBondContact O-N 2.79Å; P106-F136 WeakPolarHBondContact CB-O 3.43Å; P106-F136 WeakPolarHBondContact CG-O 3.36Å
107F96.9Very high82Confident28 Ų2857.7 Ų57.712%0.12334%0.342CS..EExtended strand (participates in β ladder)trans-135.2152.9178.7-66.8-89.8000111.2T95 F96 K98 T105 N131 L132 E133T95-F107 VanDerWaalsContact CA-O 3.26Å; T95-F107 WeakPolarHBondContact CA-O 3.21Å; F96-F107 HydrophobicContact CD1-CB 4.32Å; F96-F107 HydrophobicContact CD2-CB 4.33Å; F96-F107 HydrophobicContact CD2-CD2 4.37Å; F96-F107 HydrophobicContact CE1-CB 3.77Å; F96-F107 HydrophobicContact CE2-CB 3.82Å; F96-F107 AromaticContact CE2-CD2 3.76Å; F96-F107 HydrophobicContact CE2-CD2 3.76Å; F96-F107 HydrophobicContact CE2-CG 4.02Å; F96-F107 HydrophobicContact CZ-CB 3.52Å; F96-F107 HydrophobicContact CZ-CD2 4.2Å; F96-F107 AromaticContact CZ-CG 3.98Å; F96-F107 HydrophobicContact CZ-CG 3.98Å; F96-F107 PolarHBondContact N-O 3.22Å; F96-F107 PolarHBondContact O-N 2.92Å; K98-F107 HydrophobicContact CB-CD2 4.28Å; K98-F107 HydrophobicContact CB-CE2 3.95Å; K98-F107 HydrophobicContact CD-CE2 4.43Å; T105-F107 HydrophobicContact CG2-CD2 4.38Å; T105-F107 HydrophobicContact CG2-CE2 3.57Å; T105-F107 HydrophobicContact CG2-CZ 3.64Å; T105-F107 VanDerWaalsContact O-CD2 3.28Å; T105-F107 WeakPolarHBondContact O-CD2 3.41Å; T105-F107 WeakPolarHBondContact O-CE2 3.38Å; F107-N131 WeakPolarHBondContact CD1-ND2 3.48Å; F107-L132 CarbonylContact C-O 3.45Å; F107-L132 VanDerWaalsContact CA-O 3.24Å; F107-L132 WeakPolarHBondContact CA-O 3.47Å; F107-E133 HydrophobicContact CD1-CB 4.04Å; F107-E133 HydrophobicContact CD1-CG 4.4Å; F107-E133 HydrophobicContact CE1-CB 3.75Å; F107-E133 HydrophobicContact CE1-CG 3.91Å; F107-E133 HydrophobicContact CZ-CG 4.26Å
108L97.7Very high80Confident0 Ų058.8 Ų58.80%035%0.353CS..EExtended strand (participates in β ladder)trans-117.6121.7163.5168.563.7000108.1T95 I110 L132 L134 L141 L159 Y169T95-L108 HydrophobicContact CG2-CB 4.38Å; T95-L108 HydrophobicContact CG2-CD1 3.74Å; L108-I110 HydrophobicContact CD1-CG1 4.14Å; L108-I110 HydrophobicContact CD2-CD1 4.09Å; L108-I110 HydrophobicContact CD2-CG1 4.29Å; L108-I110 HydrophobicContact CG-CD1 4.38Å; L108-I110 HydrophobicContact CG-CG1 4.05Å; L108-L132 HydrophobicContact CB-CB 4.38Å; L108-L132 HydrophobicContact CD2-CD1 4.17Å; L108-L132 PolarHBondContact N-O 2.79Å; L108-L132 WeakPolarHBondContact O-CB 3.23Å; L108-L132 PolarHBondContact O-N 3.1Å; L108-L134 HydrophobicContact CB-CD1 4.14Å; L108-L134 HydrophobicContact CB-CD2 4.03Å; L108-L134 HydrophobicContact CB-CG 4.25Å; L108-L141 HydrophobicContact CD1-CD1 4.35Å; L108-L141 HydrophobicContact CD1-CD2 4.25Å; L108-L159 HydrophobicContact CD2-CD2 4.16Å; L108-Y169 HydrophobicContact CD2-CD1 4.22Å; L108-Y169 HydrophobicContact CD2-CD2 3.68Å; L108-Y169 HydrophobicContact CD2-CE1 4.09Å; L108-Y169 HydrophobicContact CD2-CE2 3.52Å; L108-Y169 HydrophobicContact CD2-CG 4.03Å
109N96.6Very high78.6Confident0 Ų063.8 Ų63.80%038%0.378CS..EExtended strand (participates in β ladder)trans-105.1130.1168.6-73.63000109.6Y68 G93 I94 F96 Y111 C129 L130 N131Y68-N109 PolarHBondContact O-ND2 3.21Å; G93-N109 CarbonylContact C-O 3.48Å; G93-N109 WeakPolarHBondContact CA-O 3.5Å; I94-N109 PolarHBondContact N-O 2.67Å; I94-N109 PolarHBondContact O-N 2.81Å; F96-N109 HydrophobicContact CE1-CB 4.29Å; F96-N109 WeakPolarHBondContact CE1-ND2 3.37Å; N109-Y111 HydrophobicContact CB-CD2 4.31Å; N109-Y111 HydrophobicContact CB-CE2 3.43Å; N109-Y111 VanDerWaalsContact CB-CE2 3.43Å; N109-Y111 WeakPolarHBondContact CB-OH 3.47Å; N109-Y111 PolarHBondContact ND2-OH 3.23Å; N109-C129 VanDerWaalsContact CG-SG 3.51Å; N109-L130 CarbonylContact C-O 3.56Å; N109-L130 VanDerWaalsContact CA-O 3.25Å; N109-L130 WeakPolarHBondContact CA-O 3.35Å; N109-N131 WeakPolarHBondContact OD1-CA 3.47Å; N109-N131 PolarHBondContact OD1-ND2 3.22Å
110I95.3Very high77.9Confident3 Ų362.7 Ų62.72%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-114.4119.3172.4-58.8172.5000107.9V91 L108 L130 F157 F178V91-I110 HydrophobicContact CG1-CG2 3.76Å; L108-I110 HydrophobicContact CD1-CG1 4.14Å; L108-I110 HydrophobicContact CD2-CD1 4.09Å; L108-I110 HydrophobicContact CD2-CG1 4.29Å; L108-I110 HydrophobicContact CG-CD1 4.38Å; L108-I110 HydrophobicContact CG-CG1 4.05Å; I110-L130 HydrophobicContact CB-CB 4.46Å; I110-L130 HydrophobicContact CD1-CD2 4.43Å; I110-L130 PolarHBondContact N-O 2.85Å; I110-L130 PolarHBondContact O-N 2.93Å; I110-F157 HydrophobicContact CD1-CD2 4.24Å; I110-F157 HydrophobicContact CG2-CE2 4.18Å; I110-F178 HydrophobicContact CB-CD2 4.44Å; I110-F178 HydrophobicContact CD1-CB 3.52Å; I110-F178 HydrophobicContact CD1-CD1 4.07Å; I110-F178 HydrophobicContact CD1-CD2 4.36Å; I110-F178 HydrophobicContact CD1-CG 3.74Å; I110-F178 HydrophobicContact CG2-CD2 3.56Å; I110-F178 HydrophobicContact CG2-CE2 3.75Å; I110-F178 HydrophobicContact CG2-CG 4.03Å; I110-F178 HydrophobicContact CG2-CZ 4.37Å
111Y92.7Very high78.1Confident0 Ų062.9 Ų62.90%036%0.364CS..EExtended strand (participates in β ladder)trans-103.2125.9178.8-57.6-89.8000109.3F66 T67 I69 V91 V92 I94 N109 I125 A126 S128 C129F66-Y111 HydrophobicContact CB-CE1 4.13Å; F66-Y111 HydrophobicContact CB-CE2 4.2Å; F66-Y111 AromaticContact CD1-CD1 3.81Å; F66-Y111 HydrophobicContact CD1-CD1 3.81Å; F66-Y111 AromaticContact CD1-CD2 3.55Å; F66-Y111 HydrophobicContact CD1-CD2 3.55Å; F66-Y111 AromaticContact CD1-CE1 3.78Å; F66-Y111 HydrophobicContact CD1-CE1 3.78Å; F66-Y111 AromaticContact CD1-CE2 3.55Å; F66-Y111 HydrophobicContact CD1-CE2 3.55Å; F66-Y111 AromaticContact CD1-CG 3.7Å; F66-Y111 HydrophobicContact CD1-CG 3.7Å; F66-Y111 AromaticContact CD1-CZ 3.68Å; F66-Y111 HydrophobicContact CE1-CD1 4.45Å; F66-Y111 AromaticContact CE1-CD2 3.89Å; F66-Y111 HydrophobicContact CE1-CD2 3.89Å; F66-Y111 HydrophobicContact CE1-CE2 4.3Å; F66-Y111 AromaticContact CE1-CG 3.99Å; F66-Y111 HydrophobicContact CE1-CG 3.99Å; F66-Y111 HydrophobicContact CG-CE1 4.46Å; F66-Y111 HydrophobicContact CG-CE2 4.18Å; T67-Y111 WeakPolarHBondContact O-CE1 3.48Å; T67-Y111 PolarHBondContact O-OH 3.27Å; I69-Y111 WeakPolarHBondContact CG1-OH 3.5Å; V91-Y111 CarbonylContact C-O 3.38Å; V91-Y111 WeakPolarHBondContact CA-O 3.3Å; V92-Y111 PolarHBondContact N-O 2.98Å; V92-Y111 WeakPolarHBondContact O-CD2 3.1Å; V92-Y111 PolarHBondContact O-N 3.48Å; I94-Y111 HydrophobicContact CB-CE2 4.38Å; I94-Y111 HydrophobicContact CD1-CD2 4.27Å; I94-Y111 HydrophobicContact CD1-CE2 3.82Å; I94-Y111 HydrophobicContact CG1-CD2 4.39Å; I94-Y111 HydrophobicContact CG1-CE2 4.09Å; N109-Y111 HydrophobicContact CB-CD2 4.31Å; N109-Y111 HydrophobicContact CB-CE2 3.43Å; N109-Y111 VanDerWaalsContact CB-CE2 3.43Å; N109-Y111 WeakPolarHBondContact CB-OH 3.47Å; N109-Y111 PolarHBondContact ND2-OH 3.23Å; Y111-I125 WeakPolarHBondContact CD1-O 3.36Å; Y111-A126 WeakPolarHBondContact CE1-O 3.2Å; Y111-S128 VanDerWaalsContact CA-O 3.27Å; Y111-S128 WeakPolarHBondContact CA-O 3.26Å; Y111-C129 HydrophobicContact CD1-CB 3.83Å; Y111-C129 HydrophobicContact CE1-CB 3.52Å
112C87.2Confident78.4Confident7 Ų760.7 Ų60.75%0.04734%0.337CS..EExtended strand (participates in β ladder)trans-149.6127.8179.7-179.30000108.8K83 V91 Y114 S128K83-C112 WeakPolarHBondContact CE-SG 3.4Å; K83-C112 PolarHBondContact NZ-SG 2.98Å; V91-C112 HydrophobicContact CG1-CB 4.46Å; V91-C112 HydrophobicContact CG2-CB 4.31Å; C112-Y114 HydrophobicContact CB-CE2 4.17Å; C112-Y114 WeakPolarHBondContact SG-CE2 3.35Å; C112-Y114 VanDerWaalsContact SG-CZ 3.53Å; C112-S128 PolarHBondContact N-O 3Å; C112-S128 WeakPolarHBondContact O-CB 3.14Å; C112-S128 PolarHBondContact O-OG 3.42Å
113D74.5Confident79Confident36 Ų3657.7 Ų57.719%0.19332%0.317CS..  trans-107140.3171.3-161.93.6000110S124 I125D113-S124 WeakPolarHBondContact OD2-CB 3.41Å; D113-I125 HydrophobicContact CB-CB 4.34Å; D113-I125 HydrophobicContact CB-CD1 4.48Å; D113-I125 HydrophobicContact CB-CG1 3.39Å
114Y61.7Low79Confident80 Ų8053.7 Ų53.731%0.31431%0.306SS..  trans-118.780.5-176.1-67.3-92.3000109K83 C112 E171 H176K83-Y114 PolarHBondContact NZ-OH 2.85Å; C112-Y114 HydrophobicContact CB-CE2 4.17Å; C112-Y114 WeakPolarHBondContact SG-CE2 3.35Å; C112-Y114 VanDerWaalsContact SG-CZ 3.53Å; Y114-E171 VanDerWaalsContact CE1-OE1 3.24Å; Y114-E171 WeakPolarHBondContact CE1-OE1 3.35Å; Y114-E171 PolarHBondContact OH-OE1 3.36Å; Y114-H176 HydrophobicContact CE2-CB 4.37Å; Y114-H176 PolarHBondContact OH-O 3.14Å
115E59.2Low78.6Confident109 Ų10951 Ų5151%0.50928%0.283SS..  trans-117.9104.9169.7-70.1-163.1163.400110.4G117 S118E115-G117 PolarHBondContact O-N 3.1Å; E115-G117 VanDerWaalsContact O-N 3.12Å; E115-S118 WeakPolarHBondContact CB-OG 3.35Å; E115-S118 PolarHBondContact OE2-OG 3.46Å; E115-S118 VanDerWaalsContact OE2-OG 3.07Å
116P52.8Low78Confident135 Ų13550 Ų5088%0.87728%0.278SS*.THydrogen-bonded Turntrans-64.9114177.3-17.729.6000111
117G54.3Low77.4Confident70 Ų7054.9 Ų54.972%0.72230%0.299SS*.THydrogen-bonded Turntrans96.63.9166.800000116.8E115E115-G117 PolarHBondContact O-N 3.1Å; E115-G117 VanDerWaalsContact O-N 3.12Å
118S54Low76.7Confident54 Ų5456 Ų5638%0.37831%0.311SS..SBendtrans-98.2155169.751.90000111.7E115E115-S118 WeakPolarHBondContact CB-OG 3.35Å; E115-S118 PolarHBondContact OE2-OG 3.46Å; E115-S118 VanDerWaalsContact OE2-OG 3.07Å
119E62.7Low76.2Confident189 Ų18957.6 Ų57.688%0.88332%0.321SS*.PPolyproline II helixtrans-62.1135.8159.6-69.6178.8175.600107.9
120F70.3Confident75.8Confident72 Ų7258.7 Ų58.732%0.31633%0.327SS..PPolyproline II helixtrans-64.7142.9-176.267.8-94.5000110.7L90 I125L90-F120 HydrophobicContact CB-CB 4.38Å; L90-F120 HydrophobicContact CB-CD1 4.24Å; L90-F120 HydrophobicContact CB-CD2 3.92Å; L90-F120 HydrophobicContact CB-CE2 4.29Å; L90-F120 HydrophobicContact CB-CG 3.91Å; L90-F120 HydrophobicContact CD2-CD2 3.85Å; L90-F120 HydrophobicContact CD2-CE2 3.61Å; L90-F120 HydrophobicContact CD2-CZ 4.22Å; F120-I125 HydrophobicContact CB-CD1 3.99Å; F120-I125 HydrophobicContact CD2-CD1 3.88Å; F120-I125 HydrophobicContact CG-CD1 4.3Å
121N78.4Confident75.7Confident77 Ų7762 Ų6241%0.41235%0.345SS..  trans-108.3111.3173-174.4-31.1000109.7E123 S124 I125N121-E123 PolarHBondContact O-N 3.47Å; N121-E123 WeakPolarHBondContact OD1-CA 3.33Å; N121-E123 VanDerWaalsContact OD1-CB 3.32Å; N121-E123 WeakPolarHBondContact OD1-CB 3.3Å; N121-E123 PolarHBondContact OD1-N 3.13Å; N121-S124 WeakPolarHBondContact O-CB 3.44Å; N121-S124 PolarHBondContact O-N 3.26Å; N121-S124 PolarHBondContact OD1-N 2.86Å; N121-I125 WeakPolarHBondContact O-CG1 3.38Å; N121-I125 PolarHBondContact O-N 3.25Å
122L80.1Confident75.7Confident17 Ų1764.1 Ų64.19%0.08936%0.356CS..Hα-helixtrans-59.6-31.4-179.1-173.861.7000113.3L37 C47 V64 F66 L90 A126L37-L122 HydrophobicContact CD2-CD2 3.96Å; C47-L122 HydrophobicContact CB-CD2 3.73Å; V64-L122 HydrophobicContact CG1-CD2 4.33Å; V64-L122 HydrophobicContact CG1-CG 4.09Å; V64-L122 HydrophobicContact CG2-CD2 3.7Å; V64-L122 HydrophobicContact CG2-CG 4.33Å; F66-L122 HydrophobicContact CZ-CD1 4.39Å; L90-L122 HydrophobicContact CD2-CD1 3.95Å; L122-A126 WeakPolarHBondContact O-CB 3.35Å; L122-A126 PolarHBondContact O-N 2.56Å
123E82.9Confident76.1Confident110 Ų11069.1 Ų69.151%0.51438%0.378SS..Hα-helixtrans-70.2-36.7176.2-60.5179.7175.100111.7K62 N121K62-E123 IonicContact NZ-OE1 2.55Å; K62-E123 PolarHBondContact NZ-OE1 3.22Å; N121-E123 PolarHBondContact O-N 3.47Å; N121-E123 WeakPolarHBondContact OD1-CA 3.33Å; N121-E123 VanDerWaalsContact OD1-CB 3.32Å; N121-E123 WeakPolarHBondContact OD1-CB 3.3Å; N121-E123 PolarHBondContact OD1-N 3.13Å
124S82Confident77.2Confident48 Ų4867.7 Ų67.734%0.33637%0.371SS..Hα-helixtrans-67.8-46.2173.6-58.40000111.2D113 N121 A126 Q127 S128D113-S124 WeakPolarHBondContact OD2-CB 3.41Å; N121-S124 WeakPolarHBondContact O-CB 3.44Å; N121-S124 PolarHBondContact O-N 3.26Å; N121-S124 PolarHBondContact OD1-N 2.86Å; S124-A126 VanDerWaalsContact C-N 3.27Å; S124-A126 PolarHBondContact O-N 2.94Å; S124-Q127 WeakPolarHBondContact O-CB 3.26Å; S124-Q127 PolarHBondContact O-N 3.24Å; S124-S128 PolarHBondContact O-N 3.39Å
125I81.3Confident78.8Confident1 Ų171 Ų711%0.00539%0.389CS..Hα-helixtrans-55.9-44.4176.6-69.7162000110.9L90 V92 Y111 D113 F120 N121 Q127 S128L90-I125 HydrophobicContact CB-CD1 3.69Å; L90-I125 HydrophobicContact CD2-CD1 4.06Å; L90-I125 HydrophobicContact CG-CD1 4.2Å; V92-I125 HydrophobicContact CG2-CG2 4.41Å; Y111-I125 WeakPolarHBondContact CD1-O 3.36Å; D113-I125 HydrophobicContact CB-CB 4.34Å; D113-I125 HydrophobicContact CB-CD1 4.48Å; D113-I125 HydrophobicContact CB-CG1 3.39Å; F120-I125 HydrophobicContact CB-CD1 3.99Å; F120-I125 HydrophobicContact CD2-CD1 3.88Å; F120-I125 HydrophobicContact CG-CD1 4.3Å; N121-I125 WeakPolarHBondContact O-CG1 3.38Å; N121-I125 PolarHBondContact O-N 3.25Å; I125-Q127 PolarHBondContact O-N 3.05Å; I125-S128 PolarHBondContact O-N 2.93Å
126A81Confident80.5Confident1 Ų166.4 Ų66.41%0.00837%0.368CS..THydrogen-bonded Turntrans-59.3-15.5179.400000114.1V64 F66 T67 Y111 L122 S124V64-A126 HydrophobicContact CG1-CB 4.1Å; F66-A126 HydrophobicContact CD1-CB 3.9Å; F66-A126 HydrophobicContact CE1-CB 4.17Å; F66-A126 HydrophobicContact CG-CB 4.31Å; T67-A126 WeakPolarHBondContact CB-O 3.5Å; T67-A126 PolarHBondContact N-O 3.37Å; T67-A126 PolarHBondContact OG1-O 3.37Å; Y111-A126 WeakPolarHBondContact CE1-O 3.2Å; L122-A126 WeakPolarHBondContact O-CB 3.35Å; L122-A126 PolarHBondContact O-N 2.56Å; S124-A126 VanDerWaalsContact C-N 3.27Å; S124-A126 PolarHBondContact O-N 2.94Å
127Q83.5Confident82.6Confident115 Ų11562.7 Ų62.754%0.53734%0.342SS..THydrogen-bonded Turntrans-94.5-25.2175.8-57.4-53.3-48.500114.1T67 S124 I125 C129T67-Q127 PolarHBondContact OG1-NE2 2.95Å; T67-Q127 VanDerWaalsContact OG1-NE2 3.12Å; T67-Q127 PolarHBondContact OG1-OE1 2.67Å; S124-Q127 WeakPolarHBondContact O-CB 3.26Å; S124-Q127 PolarHBondContact O-N 3.24Å; I125-Q127 PolarHBondContact O-N 3.05Å; Q127-C129 PolarHBondContact O-N 3.2Å
128S82.3Confident84.6Confident53 Ų5359.4 Ų59.437%0.37131%0.308SS..SBendtrans-91.184.1-176.5-176.70000110.9Y111 C112 S124 I125Y111-S128 VanDerWaalsContact CA-O 3.27Å; Y111-S128 WeakPolarHBondContact CA-O 3.26Å; C112-S128 PolarHBondContact N-O 3Å; C112-S128 WeakPolarHBondContact O-CB 3.14Å; C112-S128 PolarHBondContact O-OG 3.42Å; S124-S128 PolarHBondContact O-N 3.39Å; I125-S128 PolarHBondContact O-N 2.93Å
129C86.7Confident86.7Confident32 Ų3258.8 Ų58.822%0.21630%0.299CS..EExtended strand (participates in β ladder)trans-110.5125.8-170.1-175.30000112.8Y68 N109 Y111 Q127Y68-C129 HydrophobicContact CD2-CB 3.72Å; Y68-C129 HydrophobicContact CE2-CB 4.22Å; N109-C129 VanDerWaalsContact CG-SG 3.51Å; Y111-C129 HydrophobicContact CD1-CB 3.83Å; Y111-C129 HydrophobicContact CE1-CB 3.52Å; Q127-C129 PolarHBondContact O-N 3.2Å
130L89.2Confident88.4Confident24 Ų2450.2 Ų50.213%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-87.3121153.2169.568.7000108.4N109 I110 L132 Q177 F178N109-L130 CarbonylContact C-O 3.56Å; N109-L130 VanDerWaalsContact CA-O 3.25Å; N109-L130 WeakPolarHBondContact CA-O 3.35Å; I110-L130 HydrophobicContact CB-CB 4.46Å; I110-L130 HydrophobicContact CD1-CD2 4.43Å; I110-L130 PolarHBondContact N-O 2.85Å; I110-L130 PolarHBondContact O-N 2.93Å; L130-L132 HydrophobicContact CD1-CD2 3.99Å; L130-L132 HydrophobicContact CD1-CG 4.35Å; L130-L132 HydrophobicContact CD2-CD1 3.97Å; L130-L132 HydrophobicContact CD2-CD2 4.29Å; L130-L132 HydrophobicContact CD2-CG 4.13Å; L130-L132 HydrophobicContact CG-CD1 4.39Å; L130-L132 HydrophobicContact CG-CD2 4.18Å; L130-L132 HydrophobicContact CG-CG 4.02Å; L130-Q177 HydrophobicContact CB-CG 4.46Å; L130-Q177 HydrophobicContact CD1-CG 4Å; L130-Q177 VanDerWaalsContact CD1-NE2 3.29Å; L130-Q177 HydrophobicContact CD2-CG 4.25Å; L130-Q177 HydrophobicContact CG-CG 4.45Å; L130-F178 HydrophobicContact CD2-CB 3.75Å; L130-F178 WeakPolarHBondContact CD2-O 3.48Å
131N92.8Very high89.7Confident73 Ų7347.1 Ų47.139%0.3925%0.246SC..EExtended strand (participates in β ladder)trans-105.9125.9176.4172.5-110.7000110.1F107 N109F107-N131 WeakPolarHBondContact CD1-ND2 3.48Å; N109-N131 WeakPolarHBondContact OD1-CA 3.47Å; N109-N131 PolarHBondContact OD1-ND2 3.22Å
132L93.8Very high90.6Very high43 Ų4345.1 Ų45.123%0.22523%0.232CC..EExtended strand (participates in β ladder)trans-123.4122.1-179.6-60.9171.7000109.6F107 L108 L130 Y169F107-L132 CarbonylContact C-O 3.45Å; F107-L132 VanDerWaalsContact CA-O 3.24Å; F107-L132 WeakPolarHBondContact CA-O 3.47Å; L108-L132 HydrophobicContact CB-CB 4.38Å; L108-L132 HydrophobicContact CD2-CD1 4.17Å; L108-L132 PolarHBondContact N-O 2.79Å; L108-L132 WeakPolarHBondContact O-CB 3.23Å; L108-L132 PolarHBondContact O-N 3.1Å; L130-L132 HydrophobicContact CD1-CD2 3.99Å; L130-L132 HydrophobicContact CD1-CG 4.35Å; L130-L132 HydrophobicContact CD2-CD1 3.97Å; L130-L132 HydrophobicContact CD2-CD2 4.29Å; L130-L132 HydrophobicContact CD2-CG 4.13Å; L130-L132 HydrophobicContact CG-CD1 4.39Å; L130-L132 HydrophobicContact CG-CD2 4.18Å; L130-L132 HydrophobicContact CG-CG 4.02Å; L132-Y169 HydrophobicContact CD1-CD1 3.97Å; L132-Y169 HydrophobicContact CD1-CE1 3.75Å
133E95.2Very high91.4Very high112 Ų11247.1 Ų47.152%0.52324%0.241SC..EExtended strand (participates in β ladder)trans-79124.7170.8-173.6179.1150.300109.8T105 F107T105-E133 HydrophobicContact CG2-CG 3.74Å; F107-E133 HydrophobicContact CD1-CB 4.04Å; F107-E133 HydrophobicContact CD1-CG 4.4Å; F107-E133 HydrophobicContact CE1-CB 3.75Å; F107-E133 HydrophobicContact CE1-CG 3.91Å; F107-E133 HydrophobicContact CZ-CG 4.26Å
134L96.3Very high92Very high7 Ų742.6 Ų42.64%0.03722%0.221CC..  trans-91.8144-179-57.4176.4000110.4P106 L108 F136 P138 L159 Y169P106-L134 HydrophobicContact CB-CB 4.1Å; P106-L134 HydrophobicContact CB-CD1 4.42Å; P106-L134 HydrophobicContact CG-CB 4.01Å; P106-L134 WeakPolarHBondContact CG-O 3.29Å; P106-L134 PolarHBondContact O-N 2.79Å; L108-L134 HydrophobicContact CB-CD1 4.14Å; L108-L134 HydrophobicContact CB-CD2 4.03Å; L108-L134 HydrophobicContact CB-CG 4.25Å; L134-F136 VanDerWaalsContact C-N 3.25Å; L134-F136 HydrophobicContact CB-CD1 4.42Å; L134-F136 HydrophobicContact CB-CE1 4.31Å; L134-F136 HydrophobicContact CD1-CE2 4.34Å; L134-F136 HydrophobicContact CD1-CZ 4.25Å; L134-F136 HydrophobicContact CD2-CE1 4.02Å; L134-F136 HydrophobicContact CD2-CZ 3.99Å; L134-P138 HydrophobicContact CD1-CB 4.16Å; L134-P138 HydrophobicContact CD1-CG 4.06Å; L134-L159 HydrophobicContact CD1-CD2 3.85Å; L134-L159 HydrophobicContact CD2-CD2 4.31Å; L134-Y169 WeakPolarHBondContact CD2-OH 3.23Å
135Q95.3Very high92.4Very high150 Ų15045.3 Ų45.370%0.70123%0.228SC*.SBendtrans-91.18.7172.3-58.3-54.6-52.400112.3
136F95.7Very high92.8Very high12 Ų1245.3 Ų45.35%0.05323%0.229CC..SBendtrans-144.1153-178.364-88.9000112.1P106 L134 P138 L159 D163 H167P106-F136 WeakPolarHBondContact CB-O 3.43Å; P106-F136 WeakPolarHBondContact CG-O 3.36Å; L134-F136 VanDerWaalsContact C-N 3.25Å; L134-F136 HydrophobicContact CB-CD1 4.42Å; L134-F136 HydrophobicContact CB-CE1 4.31Å; L134-F136 HydrophobicContact CD1-CE2 4.34Å; L134-F136 HydrophobicContact CD1-CZ 4.25Å; L134-F136 HydrophobicContact CD2-CE1 4.02Å; L134-F136 HydrophobicContact CD2-CZ 3.99Å; F136-P138 HydrophobicContact CE2-CB 4.38Å; F136-P138 WeakPolarHBondContact O-CD 3.37Å; F136-L159 HydrophobicContact CE2-CD2 4.01Å; F136-L159 HydrophobicContact CE2-CG 4.05Å; F136-L159 HydrophobicContact CZ-CD2 3.82Å; F136-L159 HydrophobicContact CZ-CG 4.13Å; F136-D163 HydrophobicContact CB-CB 4.29Å; F136-H167 AromaticContact CD1-CE1 3.75Å; F136-H167 AromaticContact CD1-NE2 3.51Å; F136-H167 AromaticContact CE1-CD2 3.39Å; F136-H167 WeakPolarHBondContact CE1-CD2 3.27Å; F136-H167 AromaticContact CE1-CE1 3.37Å; F136-H167 WeakPolarHBondContact CE1-CE1 3.47Å; F136-H167 AromaticContact CE1-CG 3.65Å; F136-H167 AromaticContact CE1-ND1 3.64Å; F136-H167 AromaticContact CE1-NE2 3.23Å; F136-H167 WeakPolarHBondContact CE1-NE2 3.38Å; F136-H167 AromaticContact CE2-CD2 3.79Å; F136-H167 HydrophobicContact CZ-CB 4.27Å; F136-H167 AromaticContact CZ-CD2 3.21Å; F136-H167 WeakPolarHBondContact CZ-CD2 3.47Å; F136-H167 AromaticContact CZ-CG 3.6Å; F136-H167 AromaticContact CZ-NE2 3.55Å
137T96.2Very high92.9Very high57 Ų5749.1 Ų49.135%0.3525%0.246SC..  trans-70.4119168.2-54.90000110.4I97 G161 H162I97-T137 HydrophobicContact CD1-CG2 4.17Å; T137-G161 WeakPolarHBondContact O-CA 3.2Å; T137-H162 PolarHBondContact N-CE1 3.38Å; T137-H162 PolarHBondContact N-ND1 2.84Å; T137-H162 PolarHBondContact O-N 3.32Å
138P97.4Very high92.6Very high1 Ų144.1 Ų44.11%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-75.2157.7178.929.3-32.9000112.2V76 T95 L134 F136 L159 S160V76-P138 HydrophobicContact CB-CG 4.34Å; V76-P138 HydrophobicContact CG1-CG 4.28Å; V76-P138 WeakPolarHBondContact CG1-O 3.49Å; V76-P138 HydrophobicContact CG2-CG 4.47Å; T95-P138 HydrophobicContact CG2-CB 4.12Å; T95-P138 HydrophobicContact CG2-CG 4.36Å; L134-P138 HydrophobicContact CD1-CB 4.16Å; L134-P138 HydrophobicContact CD1-CG 4.06Å; F136-P138 HydrophobicContact CE2-CB 4.38Å; F136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-L159 HydrophobicContact CB-CD1 3.75Å; P138-L159 HydrophobicContact CB-CD2 4.24Å; P138-L159 HydrophobicContact CB-CG 4.3Å; P138-S160 CarbonylContact C-O 3.5Å; P138-S160 WeakPolarHBondContact CA-O 3.36Å
139F97.3Very high91.9Very high40 Ų4047.5 Ų47.518%0.17524%0.244CC..EExtended strand (participates in β ladder)trans-119-116.4166-56.9-50.5000109.7Y26 S77 L141 S160 H162 N196 L198Y26-F139 HydrophobicContact CE2-CB 4.21Å; S77-F139 VanDerWaalsContact CB-O 3.27Å; S77-F139 WeakPolarHBondContact CB-O 3.49Å; S77-F139 PolarHBondContact OG-O 2.93Å; F139-L141 PolarHBondContact O-N 3.25Å; F139-S160 WeakPolarHBondContact CB-OG 3.4Å; F139-S160 PolarHBondContact N-O 2.71Å; F139-H162 HydrophobicContact CE2-CB 4.03Å; F139-H162 HydrophobicContact CZ-CB 3.74Å; F139-N196 HydrophobicContact CE2-CB 3.81Å; F139-L198 HydrophobicContact CD2-CD2 4.27Å; F139-L198 HydrophobicContact CE2-CD2 4.49Å; F139-L198 HydrophobicContact CG-CD2 4.39Å
140Q98.1Very high90.9Very high10 Ų1053.5 Ų53.55%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-70.2128178.4-167.4-16728.500110.4Y26 S160 W199Y26-Q140 HydrophobicContact CD1-CB 4.02Å; Y26-Q140 HydrophobicContact CD1-CG 3.92Å; Y26-Q140 HydrophobicContact CE1-CB 3.72Å; Y26-Q140 HydrophobicContact CE1-CG 3.94Å; Y26-Q140 HydrophobicContact CE2-CB 4.5Å; Q140-S160 PolarHBondContact N-OG 3.2Å; Q140-S160 PolarHBondContact O-N 2.79Å; Q140-S160 PolarHBondContact O-OG 2.99Å; Q140-W199 VanDerWaalsContact NE2-CE2 3.32Å; Q140-W199 VanDerWaalsContact OE1-CA 3.28Å
141L98.4Very high89.9Confident7 Ų757.3 Ų57.34%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-94.5126.4159.7-178.868.1000107.3S77 D79 G93 T95 L108 F139 F157 L159S77-L141 WeakPolarHBondContact OG-CB 3.39Å; S77-L141 PolarHBondContact OG-N 3.47Å; D79-L141 HydrophobicContact CB-CB 4.33Å; D79-L141 HydrophobicContact CB-CD2 3.97Å; D79-L141 HydrophobicContact CB-CG 3.95Å; G93-L141 VanDerWaalsContact O-CD2 3.3Å; G93-L141 WeakPolarHBondContact O-CD2 3.39Å; T95-L141 HydrophobicContact CG2-CB 4.47Å; L108-L141 HydrophobicContact CD1-CD1 4.35Å; L108-L141 HydrophobicContact CD1-CD2 4.25Å; F139-L141 PolarHBondContact O-N 3.25Å; L141-F157 HydrophobicContact CD1-CB 4.06Å; L141-F157 HydrophobicContact CD1-CD1 3.85Å; L141-F157 HydrophobicContact CD1-CG 4.12Å; L141-F157 HydrophobicContact CD2-CD1 4.31Å; L141-F157 HydrophobicContact CD2-CE1 4.25Å; L141-F157 HydrophobicContact CG-CD1 3.98Å; L141-F157 HydrophobicContact CG-CE1 4.32Å; L141-L159 HydrophobicContact CB-CD1 4.19Å; L141-L159 HydrophobicContact CD1-CB 4.16Å; L141-L159 HydrophobicContact CD1-CD1 4.16Å
142Y97.7Very high89.3Confident34 Ų3455.1 Ų55.113%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-141.2126.7-173.2173.4-101.6000110.3D79 T144 L158 L200 D201 M202D79-Y142 WeakPolarHBondContact OD2-CA 3.42Å; Y142-T144 HydrophobicContact CE1-CG2 4.38Å; Y142-L158 HydrophobicContact CD1-CD1 4.35Å; Y142-L158 PolarHBondContact N-O 2.71Å; Y142-L158 PolarHBondContact O-N 3.07Å; Y142-L200 HydrophobicContact CD1-CB 4.08Å; Y142-L200 HydrophobicContact CG-CB 4.32Å; Y142-D201 PolarHBondContact OH-OD1 2.78Å; Y142-D201 VanDerWaalsContact OH-OD1 3.09Å; Y142-M202 HydrophobicContact CE1-CB 4.13Å; Y142-M202 HydrophobicContact CE1-CG 3.69Å; Y142-M202 WeakPolarHBondContact OH-CB 3.46Å; Y142-M202 PolarHBondContact OH-N 2.82Å
143H96.9Very high88.9Confident60 Ų6056.6 Ų56.628%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-93.3149.9173.374-86.2000112.2D79 A80 F81 T155 V156 F157D79-H143 VanDerWaalsContact CG-ND1 3.29Å; D79-H143 IonicContact OD1-CE1 3.48Å; D79-H143 IonicContact OD1-ND1 2.67Å; D79-H143 PolarHBondContact OD1-ND1 2.71Å; D79-H143 VanDerWaalsContact OD1-ND1 3.15Å; D79-H143 WeakPolarHBondContact OD2-CB 3.33Å; D79-H143 IonicContact OD2-CE1 3.12Å; D79-H143 IonicContact OD2-CG 3.82Å; D79-H143 PolarHBondContact OD2-N 3.04Å; D79-H143 IonicContact OD2-ND1 2.68Å; D79-H143 PolarHBondContact OD2-ND1 3.44Å; A80-H143 PolarHBondContact O-CE1 3.43Å; A80-H143 VanDerWaalsContact O-CE1 3.25Å; F81-H143 HydrophobicContact CD1-CB 3.57Å; F81-H143 AromaticContact CD1-CG 3.81Å; F81-H143 HydrophobicContact CE1-CB 4.12Å; F81-H143 HydrophobicContact CG-CB 4.36Å; H143-T155 HydrophobicContact CB-CG2 4.14Å; H143-V156 WeakPolarHBondContact CA-O 3.26Å; H143-F157 HydrophobicContact CB-CD1 3.93Å; H143-F157 HydrophobicContact CB-CE1 4.02Å
144T94.8Very high88.5Confident14 Ų1452.5 Ų52.59%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-150.3154.6171.7-178.50000110Y142 V146 T155 V156 L158 F187 M202Y142-T144 HydrophobicContact CE1-CG2 4.38Å; T144-V146 HydrophobicContact CG2-CG1 4.43Å; T144-T155 WeakPolarHBondContact O-CA 3.5Å; T144-V156 HydrophobicContact CG2-CG2 3.99Å; T144-V156 PolarHBondContact N-O 3.1Å; T144-V156 PolarHBondContact O-N 2.7Å; T144-L158 HydrophobicContact CG2-CD1 4.02Å; T144-L158 HydrophobicContact CG2-CG 4.41Å; T144-F187 HydrophobicContact CG2-CE1 3.86Å; T144-F187 HydrophobicContact CG2-CZ 3.61Å; T144-M202 HydrophobicContact CG2-CG 4.41Å
145E91.5Very high88.3Confident105 Ų10552.9 Ų52.949%0.49128%0.278SS..EExtended strand (participates in β ladder)trans-84.5142.8170.8-62.1-178.2145.100110.7L153 E154E145-L153 HydrophobicContact CB-CD2 3.91Å; E145-L153 HydrophobicContact CB-CG 4.26Å; E145-L153 HydrophobicContact CG-CD2 3.99Å; E145-L153 WeakPolarHBondContact OE2-CD2 3.28Å; E145-E154 CarbonylContact C-O 3.57Å; E145-E154 VanDerWaalsContact CA-O 3.31Å; E145-E154 WeakPolarHBondContact CA-O 3.34Å
146V88.9Confident88.3Confident2 Ų245.8 Ų45.81%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-136.8144.9178.4-68.30000110.1T144 C148 E154 V156 L186 F187T144-V146 HydrophobicContact CG2-CG1 4.43Å; V146-C148 PolarHBondContact O-N 2.82Å; V146-E154 WeakPolarHBondContact CG2-O 3.16Å; V146-E154 PolarHBondContact N-O 3.28Å; V146-E154 PolarHBondContact O-N 2.81Å; V146-V156 HydrophobicContact CG1-CG2 4.05Å; V146-V156 HydrophobicContact CG2-CG1 3.71Å; V146-V156 HydrophobicContact CG2-CG2 4.07Å; V146-L186 HydrophobicContact CG2-CD1 4.1Å; V146-F187 HydrophobicContact CG1-CE1 4.04Å; V146-F187 HydrophobicContact CG1-CE2 3.88Å; V146-F187 HydrophobicContact CG1-CZ 3.29Å
147Q83.7Confident88.4Confident80 Ų8045.2 Ų45.237%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-84.5108.9172.2-170.867.546.200109.6G152 Q228Q147-G152 PolarHBondContact NE2-O 2.87Å; Q147-Q228 HydrophobicContact CB-CB 4.49Å
148C76.8Confident88.5Confident11 Ų1142.5 Ų42.57%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-85.7136.8170.7-71.30000109.8V146 D150 E151 G152 E154V146-C148 PolarHBondContact O-N 2.82Å; C148-D150 VanDerWaalsContact C-N 3.25Å; C148-D150 PolarHBondContact O-N 2.92Å; C148-E151 HydrophobicContact CB-CB 4.47Å; C148-G152 PolarHBondContact N-O 3.3Å; C148-G152 PolarHBondContact O-N 2.82Å; C148-E154 HydrophobicContact CB-CG 4.33Å; C148-E154 PolarHBondContact SG-OE2 3.31Å
149P67.3Low88.5Confident123 Ų12342.4 Ų42.480%0.79923%0.225SC*.THydrogen-bonded Turntrans-58.7-34.8179.3-25.634.1000113.9
150D66.8Low88.6Confident158 Ų15840.5 Ų40.585%0.84522%0.217SC*.THydrogen-bonded Turntrans-103.2-32.3-170.2-60.8-37.8000113.6C148C148-D150 VanDerWaalsContact C-N 3.25Å; C148-D150 PolarHBondContact O-N 2.92Å
151E68.1Low88.5Confident104 Ų10440.1 Ų40.149%0.48622%0.215SC..THydrogen-bonded Turntrans-111.91.8-171.3-61.5-156.9-156.400114.4K87 C148 E154 A173K87-E151 IonicContact NZ-OE2 2.78Å; C148-E151 HydrophobicContact CB-CB 4.47Å; E151-E154 HydrophobicContact CB-CG 4.21Å; E151-E154 WeakPolarHBondContact CB-OE1 3.47Å; E151-E154 VanDerWaalsContact OE2-OE1 3.1Å; E151-A173 WeakPolarHBondContact OE2-CB 3.36Å
152G79.2Confident88.4Confident27 Ų2744 Ų4428%0.27823%0.232SC..EExtended strand (participates in β ladder)trans81.7-140.4-179.700000112.3Q147 C148Q147-G152 PolarHBondContact NE2-O 2.87Å; C148-G152 PolarHBondContact N-O 3.3Å; C148-G152 PolarHBondContact O-N 2.82Å
153L84.7Confident88.3Confident75 Ų7544.9 Ų44.939%0.39324%0.24SC..EExtended strand (participates in β ladder)trans-89.5116.6-177.2-162.3115.7000110.1S84 E145S84-L153 PolarHBondContact OG-O 3.39Å; E145-L153 HydrophobicContact CB-CD2 3.91Å; E145-L153 HydrophobicContact CB-CG 4.26Å; E145-L153 HydrophobicContact CG-CD2 3.99Å; E145-L153 WeakPolarHBondContact OE2-CD2 3.28Å
154E88Confident88.3Confident25 Ų2547 Ų4712%0.11725%0.25CC..EExtended strand (participates in β ladder)trans-120.5147.9-177.2-61.4-160.7129.400111.3E145 V146 C148 E151E145-E154 CarbonylContact C-O 3.57Å; E145-E154 VanDerWaalsContact CA-O 3.31Å; E145-E154 WeakPolarHBondContact CA-O 3.34Å; V146-E154 WeakPolarHBondContact CG2-O 3.16Å; V146-E154 PolarHBondContact N-O 3.28Å; V146-E154 PolarHBondContact O-N 2.81Å; C148-E154 HydrophobicContact CB-CG 4.33Å; C148-E154 PolarHBondContact SG-OE2 3.31Å; E151-E154 HydrophobicContact CB-CG 4.21Å; E151-E154 WeakPolarHBondContact CB-OE1 3.47Å; E151-E154 VanDerWaalsContact OE2-OE1 3.1Å
155T92.3Very high88.4Confident16 Ų1654.2 Ų54.210%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-99.3128175.1-44.30000109.4F81 H143 T144F81-T155 HydrophobicContact CB-CG2 4.2Å; F81-T155 HydrophobicContact CD1-CG2 3.79Å; F81-T155 HydrophobicContact CD2-CG2 3.51Å; F81-T155 HydrophobicContact CE1-CG2 3.89Å; F81-T155 HydrophobicContact CE2-CG2 3.68Å; F81-T155 HydrophobicContact CG-CG2 3.58Å; F81-T155 HydrophobicContact CZ-CG2 3.85Å; H143-T155 HydrophobicContact CB-CG2 4.14Å; T144-T155 WeakPolarHBondContact O-CA 3.5Å
156V94.4Very high88.7Confident0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-121.9154.5-178.1-610000110.7H143 T144 V146 L168 M170 F187H143-V156 WeakPolarHBondContact CA-O 3.26Å; T144-V156 HydrophobicContact CG2-CG2 3.99Å; T144-V156 PolarHBondContact N-O 3.1Å; T144-V156 PolarHBondContact O-N 2.7Å; V146-V156 HydrophobicContact CG1-CG2 4.05Å; V146-V156 HydrophobicContact CG2-CG1 3.71Å; V146-V156 HydrophobicContact CG2-CG2 4.07Å; V156-L168 HydrophobicContact CB-CD1 3.61Å; V156-L168 HydrophobicContact CG1-CD1 4.1Å; V156-L168 HydrophobicContact CG2-CD1 3.66Å; V156-M170 HydrophobicContact CG1-CB 3.96Å; V156-M170 HydrophobicContact CG1-CG 3.76Å; V156-M170 HydrophobicContact CG1-SD 3.85Å; V156-F187 HydrophobicContact CG2-CE2 4.05Å; V156-F187 HydrophobicContact CG2-CZ 3.94Å
157F97.6Very high89.1Confident0 Ų050.2 Ų50.20%026%0.257CS..EExtended strand (participates in β ladder)trans-95.5135.4169-76.4-64.4000110.7D79 F81 V91 I110 L141 H143 L168 Y169 F178D79-F157 HydrophobicContact CB-CE1 4.19Å; F81-F157 AromaticContact CD1-CE1 3.79Å; F81-F157 HydrophobicContact CD1-CE1 3.79Å; F81-F157 HydrophobicContact CD1-CE2 4.22Å; F81-F157 AromaticContact CD1-CZ 3.62Å; F81-F157 HydrophobicContact CD1-CZ 3.62Å; F81-F157 HydrophobicContact CE1-CD1 4.19Å; F81-F157 AromaticContact CE1-CD2 3.91Å; F81-F157 HydrophobicContact CE1-CD2 3.91Å; F81-F157 AromaticContact CE1-CE1 3.71Å; F81-F157 HydrophobicContact CE1-CE1 3.71Å; F81-F157 AromaticContact CE1-CE2 3.4Å; F81-F157 HydrophobicContact CE1-CE2 3.4Å; F81-F157 HydrophobicContact CE1-CG 4.28Å; F81-F157 AromaticContact CE1-CZ 3.29Å; F81-F157 HydrophobicContact CE1-CZ 3.29Å; F81-F157 HydrophobicContact CZ-CE2 4.18Å; F81-F157 HydrophobicContact CZ-CZ 4.39Å; V91-F157 HydrophobicContact CG1-CE2 3.68Å; V91-F157 HydrophobicContact CG1-CZ 4.05Å; I110-F157 HydrophobicContact CD1-CD2 4.24Å; I110-F157 HydrophobicContact CG2-CE2 4.18Å; L141-F157 HydrophobicContact CD1-CB 4.06Å; L141-F157 HydrophobicContact CD1-CD1 3.85Å; L141-F157 HydrophobicContact CD1-CG 4.12Å; L141-F157 HydrophobicContact CD2-CD1 4.31Å; L141-F157 HydrophobicContact CD2-CE1 4.25Å; L141-F157 HydrophobicContact CG-CD1 3.98Å; L141-F157 HydrophobicContact CG-CE1 4.32Å; H143-F157 HydrophobicContact CB-CD1 3.93Å; H143-F157 HydrophobicContact CB-CE1 4.02Å; F157-L168 WeakPolarHBondContact O-CA 3.48Å; F157-Y169 PolarHBondContact N-O 2.8Å; F157-Y169 PolarHBondContact O-N 2.67Å; F157-F178 HydrophobicContact CD2-CD1 4.4Å; F157-F178 HydrophobicContact CD2-CE1 4.13Å; F157-F178 HydrophobicContact CE2-CE1 4.41Å
158L98.1Very high89.7Confident0 Ų046.4 Ų46.40%024%0.239CC..EExtended strand (participates in β ladder)trans-110124.1166.7-62.2-180000108.3Y142 T144 I166 H167 L168 F187 L190 L200 M202Y142-L158 HydrophobicContact CD1-CD1 4.35Å; Y142-L158 PolarHBondContact N-O 2.71Å; Y142-L158 PolarHBondContact O-N 3.07Å; T144-L158 HydrophobicContact CG2-CD1 4.02Å; T144-L158 HydrophobicContact CG2-CG 4.41Å; L158-I166 HydrophobicContact CB-CG2 3.83Å; L158-I166 HydrophobicContact CD2-CG2 3.97Å; L158-I166 HydrophobicContact CG-CG2 4.35Å; L158-H167 CarbonylContact C-O 3.58Å; L158-H167 WeakPolarHBondContact CA-O 3.08Å; L158-L168 HydrophobicContact CD2-CB 4.19Å; L158-L168 HydrophobicContact CD2-CD1 3.84Å; L158-F187 HydrophobicContact CD1-CD1 4.26Å; L158-F187 HydrophobicContact CD1-CE1 3.87Å; L158-F187 HydrophobicContact CD1-CE2 4.46Å; L158-F187 HydrophobicContact CD1-CZ 3.98Å; L158-F187 HydrophobicContact CD2-CD2 4.05Å; L158-F187 HydrophobicContact CD2-CE2 3.8Å; L158-F187 HydrophobicContact CD2-CZ 4.11Å; L158-F187 HydrophobicContact CG-CZ 4.36Å; L158-L190 HydrophobicContact CD1-CD1 4.16Å; L158-L200 HydrophobicContact CB-CD1 4.1Å; L158-L200 HydrophobicContact CD1-CD1 4.34Å; L158-M202 HydrophobicContact CD1-CE 4.16Å
159L98.5Very high90.6Very high0 Ų046.2 Ų46.20%024%0.237CC..EExtended strand (participates in β ladder)trans-116.5116.7178.1-179.856.3000110T95 L108 L134 F136 P138 L141 I166 H167 Y169T95-L159 HydrophobicContact CG2-CD1 3.81Å; T95-L159 HydrophobicContact CG2-CD2 4.02Å; L108-L159 HydrophobicContact CD2-CD2 4.16Å; L134-L159 HydrophobicContact CD1-CD2 3.85Å; L134-L159 HydrophobicContact CD2-CD2 4.31Å; F136-L159 HydrophobicContact CE2-CD2 4.01Å; F136-L159 HydrophobicContact CE2-CG 4.05Å; F136-L159 HydrophobicContact CZ-CD2 3.82Å; F136-L159 HydrophobicContact CZ-CG 4.13Å; P138-L159 HydrophobicContact CB-CD1 3.75Å; P138-L159 HydrophobicContact CB-CD2 4.24Å; P138-L159 HydrophobicContact CB-CG 4.3Å; L141-L159 HydrophobicContact CB-CD1 4.19Å; L141-L159 HydrophobicContact CD1-CB 4.16Å; L141-L159 HydrophobicContact CD1-CD1 4.16Å; L159-I166 WeakPolarHBondContact O-CA 3.38Å; L159-H167 HydrophobicContact CB-CB 4.36Å; L159-H167 PolarHBondContact N-O 2.97Å; L159-H167 PolarHBondContact O-N 2.97Å; L159-Y169 HydrophobicContact CB-CD2 4.34Å; L159-Y169 HydrophobicContact CB-CE2 3.92Å; L159-Y169 HydrophobicContact CD2-CE2 4.04Å
160S98.1Very high91.8Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-80.9142.8174.353.10000111.4P138 F139 Q140 V197P138-S160 CarbonylContact C-O 3.5Å; P138-S160 WeakPolarHBondContact CA-O 3.36Å; F139-S160 WeakPolarHBondContact CB-OG 3.4Å; F139-S160 PolarHBondContact N-O 2.71Å; Q140-S160 PolarHBondContact N-OG 3.2Å; Q140-S160 PolarHBondContact O-N 2.79Å; Q140-S160 PolarHBondContact O-OG 2.99Å; S160-V197 WeakPolarHBondContact CB-O 3.39Å; S160-V197 PolarHBondContact OG-O 2.95Å
161G96.8Very high92.9Very high1 Ų135.7 Ų35.71%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-132.9160.2-177.100000114.3T137 D163 Q164 R165T137-G161 WeakPolarHBondContact O-CA 3.2Å; G161-D163 PolarHBondContact O-N 2.94Å; G161-Q164 PolarHBondContact O-N 3.15Å; G161-R165 PolarHBondContact N-O 3.44Å
162H96.4Very high93.7Very high88 Ų8832.6 Ų32.641%0.40716%0.159SC..THydrogen-bonded Turntrans-68.8-5.2174.285.7-65.1000114.5T137 F139 N196T137-H162 PolarHBondContact N-CE1 3.38Å; T137-H162 PolarHBondContact N-ND1 2.84Å; T137-H162 PolarHBondContact O-N 3.32Å; F139-H162 HydrophobicContact CE2-CB 4.03Å; F139-H162 HydrophobicContact CZ-CB 3.74Å; H162-N196 VanDerWaalsContact C-OD1 3.3Å; H162-N196 PolarHBondContact O-OD1 2.71Å; H162-N196 VanDerWaalsContact O-OD1 3.08Å
163D96.1Very high93.7Very high54 Ų5432.6 Ų32.629%0.28916%0.157SC..THydrogen-bonded Turntrans-87.610.6176.470.7-29000112.6F136 G161 R165 H167F136-D163 HydrophobicContact CB-CB 4.29Å; G161-D163 PolarHBondContact O-N 2.94Å; D163-R165 PolarHBondContact O-N 3.21Å; D163-R165 PolarHBondContact OD1-N 3.13Å; D163-R165 WeakPolarHBondContact OD2-CD 3.36Å; D163-H167 IonicContact OD1-NE2 3.57Å; D163-H167 IonicContact OD2-CE1 3.65Å; D163-H167 IonicContact OD2-NE2 3.51Å; D163-H167 PolarHBondContact OD2-NE2 3.23Å
164Q96.2Very high93.6Very high105 Ų10534.2 Ų34.249%0.49117%0.174SC..SBendtrans6327.5-179.5-53.7173.123.500113.4G161 N196G161-Q164 PolarHBondContact O-N 3.15Å; Q164-N196 WeakPolarHBondContact CG-OD1 3.2Å; Q164-N196 PolarHBondContact N-OD1 2.66Å
165R96.4Very high93.1Very high165 Ų16538.4 Ų38.462%0.62320%0.197SC*.  trans-121158.6177.4-61.7-176.7-177.9-168.1-0.1111.6G161 D163G161-R165 PolarHBondContact N-O 3.44Å; D163-R165 PolarHBondContact O-N 3.21Å; D163-R165 PolarHBondContact OD1-N 3.13Å; D163-R165 WeakPolarHBondContact OD2-CD 3.36Å
166I98Very high92.4Very high7 Ų743.2 Ų43.24%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-109.8124.1165.3-53.2-56000106.9L158 L159 V183 L190 L193 V197 L200L158-I166 HydrophobicContact CB-CG2 3.83Å; L158-I166 HydrophobicContact CD2-CG2 3.97Å; L158-I166 HydrophobicContact CG-CG2 4.35Å; L159-I166 WeakPolarHBondContact O-CA 3.38Å; I166-V183 HydrophobicContact CB-CG2 4.44Å; I166-V183 HydrophobicContact CG2-CG2 4.49Å; I166-L190 HydrophobicContact CB-CD1 4.39Å; I166-L190 HydrophobicContact CG1-CB 4.45Å; I166-L190 HydrophobicContact CG1-CD1 4.3Å; I166-L190 HydrophobicContact CG2-CD1 4.19Å; I166-L193 HydrophobicContact CD1-CD1 4.05Å; I166-L193 HydrophobicContact CG1-CD1 3.67Å; I166-V197 HydrophobicContact CD1-CB 3.84Å; I166-V197 HydrophobicContact CD1-CG1 4.15Å; I166-V197 HydrophobicContact CD1-CG2 4.14Å; I166-L200 HydrophobicContact CD1-CD1 3.97Å; I166-L200 HydrophobicContact CG1-CD1 4.44Å; I166-L200 HydrophobicContact CG2-CD1 4.19Å
167H97.6Very high92Very high15 Ų1548 Ų487%0.06924%0.24CC..EExtended strand (participates in β ladder)trans-96.1126.3178.1-62.1-96000109F136 L158 L159 D163 Y169 E180F136-H167 AromaticContact CD1-CE1 3.75Å; F136-H167 AromaticContact CD1-NE2 3.51Å; F136-H167 AromaticContact CE1-CD2 3.39Å; F136-H167 WeakPolarHBondContact CE1-CD2 3.27Å; F136-H167 AromaticContact CE1-CE1 3.37Å; F136-H167 WeakPolarHBondContact CE1-CE1 3.47Å; F136-H167 AromaticContact CE1-CG 3.65Å; F136-H167 AromaticContact CE1-ND1 3.64Å; F136-H167 AromaticContact CE1-NE2 3.23Å; F136-H167 WeakPolarHBondContact CE1-NE2 3.38Å; F136-H167 AromaticContact CE2-CD2 3.79Å; F136-H167 HydrophobicContact CZ-CB 4.27Å; F136-H167 AromaticContact CZ-CD2 3.21Å; F136-H167 WeakPolarHBondContact CZ-CD2 3.47Å; F136-H167 AromaticContact CZ-CG 3.6Å; F136-H167 AromaticContact CZ-NE2 3.55Å; L158-H167 CarbonylContact C-O 3.58Å; L158-H167 WeakPolarHBondContact CA-O 3.08Å; L159-H167 HydrophobicContact CB-CB 4.36Å; L159-H167 PolarHBondContact N-O 2.97Å; L159-H167 PolarHBondContact O-N 2.97Å; D163-H167 IonicContact OD1-NE2 3.57Å; D163-H167 IonicContact OD2-CE1 3.65Å; D163-H167 IonicContact OD2-NE2 3.51Å; D163-H167 PolarHBondContact OD2-NE2 3.23Å; H167-Y169 HydrophobicContact CB-CE2 3.72Å; H167-E180 IonicContact CE1-OE1 3.15Å; H167-E180 IonicContact CG-OE1 2.7Å; H167-E180 IonicContact ND1-OE1 3.91Å; H167-E180 PolarHBondContact ND1-OE1 3.3Å
168L97Very high91.7Very high1 Ų148.4 Ų48.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-98.1121.1179.7165.766.2000108.9V156 F157 L158 E180 Q181 V183 L186 F187V156-L168 HydrophobicContact CB-CD1 3.61Å; V156-L168 HydrophobicContact CG1-CD1 4.1Å; V156-L168 HydrophobicContact CG2-CD1 3.66Å; F157-L168 WeakPolarHBondContact O-CA 3.48Å; L158-L168 HydrophobicContact CD2-CB 4.19Å; L158-L168 HydrophobicContact CD2-CD1 3.84Å; L168-E180 CarbonylContact O-C 3.56Å; L168-E180 VanDerWaalsContact O-CA 3.3Å; L168-E180 WeakPolarHBondContact O-CA 3.32Å; L168-Q181 HydrophobicContact CD2-CB 4.07Å; L168-Q181 HydrophobicContact CG-CB 4.32Å; L168-Q181 PolarHBondContact O-N 3.49Å; L168-V183 HydrophobicContact CB-CB 4.2Å; L168-V183 HydrophobicContact CB-CG2 4.37Å; L168-L186 HydrophobicContact CD2-CB 4.38Å; L168-L186 HydrophobicContact CD2-CD1 3.88Å; L168-L186 HydrophobicContact CD2-CG 4.28Å; L168-F187 HydrophobicContact CD1-CE2 3.96Å
169Y96Very high91.4Very high7 Ų751.6 Ų51.63%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-112.4124.5172.2-60.5-85.2000109.9L108 L132 L134 F157 L159 H167 E179 E180L108-Y169 HydrophobicContact CD2-CD1 4.22Å; L108-Y169 HydrophobicContact CD2-CD2 3.68Å; L108-Y169 HydrophobicContact CD2-CE1 4.09Å; L108-Y169 HydrophobicContact CD2-CE2 3.52Å; L108-Y169 HydrophobicContact CD2-CG 4.03Å; L132-Y169 HydrophobicContact CD1-CD1 3.97Å; L132-Y169 HydrophobicContact CD1-CE1 3.75Å; L134-Y169 WeakPolarHBondContact CD2-OH 3.23Å; F157-Y169 PolarHBondContact N-O 2.8Å; F157-Y169 PolarHBondContact O-N 2.67Å; L159-Y169 HydrophobicContact CB-CD2 4.34Å; L159-Y169 HydrophobicContact CB-CE2 3.92Å; L159-Y169 HydrophobicContact CD2-CE2 4.04Å; H167-Y169 HydrophobicContact CB-CE2 3.72Å; Y169-E179 WeakPolarHBondContact CA-O 3.4Å; Y169-E180 HydrophobicContact CD1-CB 4.01Å; Y169-E180 HydrophobicContact CE1-CB 3.71Å; Y169-E180 HydrophobicContact CE1-CG 4.07Å
170M92.1Very high91.2Very high35 Ų3556.8 Ų56.817%0.17228%0.281CS..EExtended strand (participates in β ladder)trans-130.6146.1-176.6-176.6163.456.100109.8V156 N172 F178 E179 Q181 L186V156-M170 HydrophobicContact CG1-CB 3.96Å; V156-M170 HydrophobicContact CG1-CG 3.76Å; V156-M170 HydrophobicContact CG1-SD 3.85Å; M170-N172 PolarHBondContact O-N 3.43Å; M170-F178 WeakPolarHBondContact O-CA 3.43Å; M170-E179 PolarHBondContact N-O 3.19Å; M170-E179 PolarHBondContact O-N 2.91Å; M170-Q181 HydrophobicContact CE-CB 4.37Å; M170-Q181 HydrophobicContact CE-CG 3.91Å; M170-L186 HydrophobicContact CE-CD1 4.34Å; M170-L186 HydrophobicContact SD-CD1 4.01Å
171E89.1Confident91Very high25 Ų2558.9 Ų58.912%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-71.3124.1177.4-173.5-176.9161.300110K83 Y114 A173 F178K83-E171 VanDerWaalsContact CE-OE2 3.28Å; K83-E171 WeakPolarHBondContact CE-OE2 3.07Å; K83-E171 IonicContact NZ-OE1 3.2Å; K83-E171 PolarHBondContact NZ-OE1 2.84Å; K83-E171 VanDerWaalsContact NZ-OE1 3.12Å; K83-E171 IonicContact NZ-OE2 3.41Å; K83-E171 PolarHBondContact NZ-OE2 3.22Å; Y114-E171 VanDerWaalsContact CE1-OE1 3.24Å; Y114-E171 WeakPolarHBondContact CE1-OE1 3.35Å; Y114-E171 PolarHBondContact OH-OE1 3.36Å; E171-A173 PolarHBondContact O-N 3.23Å; E171-F178 HydrophobicContact CB-CD1 4.36Å; E171-F178 HydrophobicContact CB-CE1 4.07Å; E171-F178 HydrophobicContact CB-CE2 4.24Å; E171-F178 HydrophobicContact CB-CZ 4Å; E171-F178 HydrophobicContact CG-CE2 4.44Å
172N85.7Confident90.8Very high38 Ų3861.2 Ų61.220%0.20331%0.306CS..EExtended strand (participates in β ladder)trans-84.5108168.6-173.2-50.9000108.8M170 S174 L175 H176 Q177 E179M170-N172 PolarHBondContact O-N 3.43Å; N172-S174 PolarHBondContact O-N 2.96Å; N172-S174 VanDerWaalsContact O-N 3.11Å; N172-S174 WeakPolarHBondContact OD1-CB 3.49Å; N172-S174 PolarHBondContact OD1-N 3.45Å; N172-L175 HydrophobicContact CB-CB 4.28Å; N172-L175 PolarHBondContact O-N 2.85Å; N172-L175 VanDerWaalsContact O-N 3.11Å; N172-L175 PolarHBondContact OD1-N 2.76Å; N172-H176 PolarHBondContact O-N 2.93Å; N172-Q177 PolarHBondContact N-O 3.44Å; N172-E179 HydrophobicContact CB-CG 4.25Å; N172-E179 PolarHBondContact ND2-OE1 3.33Å
173A79.4Confident90.7Very high28 Ų2857.9 Ų57.923%0.23129%0.291CS..THydrogen-bonded Turntrans-57.8-27.1-177.400000114E151 E171E151-A173 WeakPolarHBondContact OE2-CB 3.36Å; E171-A173 PolarHBondContact O-N 3.23Å
174S81Confident90.5Very high108 Ų10859.7 Ų59.776%0.75530%0.298SS*.THydrogen-bonded Turntrans-80.3-31.5179.7-59.50000113N172N172-S174 PolarHBondContact O-N 2.96Å; N172-S174 VanDerWaalsContact O-N 3.11Å; N172-S174 WeakPolarHBondContact OD1-CB 3.49Å; N172-S174 PolarHBondContact OD1-N 3.45Å
175L79.3Confident90.2Very high113 Ų11360.4 Ų60.459%0.59230%0.3SS*.THydrogen-bonded Turntrans-100-8.4-177.6-61.3178.4000112.9N172 Q177N172-L175 HydrophobicContact CB-CB 4.28Å; N172-L175 PolarHBondContact O-N 2.85Å; N172-L175 VanDerWaalsContact O-N 3.11Å; N172-L175 PolarHBondContact OD1-N 2.76Å; L175-Q177 HydrophobicContact CB-CB 4.39Å; L175-Q177 PolarHBondContact O-N 3.44Å
176H77.3Confident89.9Confident117 Ų11754.2 Ų54.254%0.54228%0.279SS..THydrogen-bonded Turntrans51.334.5-173-62.8-65.6000112.8Y114 N172Y114-H176 HydrophobicContact CE2-CB 4.37Å; Y114-H176 PolarHBondContact OH-O 3.14Å; N172-H176 PolarHBondContact O-N 2.93Å
177Q85Confident89.8Confident100 Ų10053.9 Ų53.947%0.46728%0.277SS..EExtended strand (participates in β ladder)trans-138.8149.9-174.5-129.4179.39.900110.3L130 N172 L175L130-Q177 HydrophobicContact CB-CG 4.46Å; L130-Q177 HydrophobicContact CD1-CG 4Å; L130-Q177 VanDerWaalsContact CD1-NE2 3.29Å; L130-Q177 HydrophobicContact CD2-CG 4.25Å; L130-Q177 HydrophobicContact CG-CG 4.45Å; N172-Q177 PolarHBondContact N-O 3.44Å; L175-Q177 HydrophobicContact CB-CB 4.39Å; L175-Q177 PolarHBondContact O-N 3.44Å
178F91.1Very high89.6Confident10 Ų1054.1 Ų54.14%0.04428%0.28CS..EExtended strand (participates in β ladder)trans-79.9139.1173.1-75.2-102000110.5F81 V91 I110 L130 F157 M170 E171F81-F178 HydrophobicContact CZ-CE1 4.35Å; F81-F178 HydrophobicContact CZ-CZ 4.12Å; V91-F178 HydrophobicContact CG1-CE2 3.98Å; V91-F178 HydrophobicContact CG1-CZ 3.83Å; V91-F178 HydrophobicContact CG2-CZ 4.39Å; I110-F178 HydrophobicContact CB-CD2 4.44Å; I110-F178 HydrophobicContact CD1-CB 3.52Å; I110-F178 HydrophobicContact CD1-CD1 4.07Å; I110-F178 HydrophobicContact CD1-CD2 4.36Å; I110-F178 HydrophobicContact CD1-CG 3.74Å; I110-F178 HydrophobicContact CG2-CD2 3.56Å; I110-F178 HydrophobicContact CG2-CE2 3.75Å; I110-F178 HydrophobicContact CG2-CG 4.03Å; I110-F178 HydrophobicContact CG2-CZ 4.37Å; L130-F178 HydrophobicContact CD2-CB 3.75Å; L130-F178 WeakPolarHBondContact CD2-O 3.48Å; F157-F178 HydrophobicContact CD2-CD1 4.4Å; F157-F178 HydrophobicContact CD2-CE1 4.13Å; F157-F178 HydrophobicContact CE2-CE1 4.41Å; M170-F178 WeakPolarHBondContact O-CA 3.43Å; E171-F178 HydrophobicContact CB-CD1 4.36Å; E171-F178 HydrophobicContact CB-CE1 4.07Å; E171-F178 HydrophobicContact CB-CE2 4.24Å; E171-F178 HydrophobicContact CB-CZ 4Å; E171-F178 HydrophobicContact CG-CE2 4.44Å
179E92.4Very high89.5Confident67 Ų6754.2 Ų54.231%0.31328%0.28SS..EExtended strand (participates in β ladder)trans-134.7153175.465-177.8178.500111Y169 M170 N172 Q181Y169-E179 WeakPolarHBondContact CA-O 3.4Å; M170-E179 PolarHBondContact N-O 3.19Å; M170-E179 PolarHBondContact O-N 2.91Å; N172-E179 HydrophobicContact CB-CG 4.25Å; N172-E179 PolarHBondContact ND2-OE1 3.33Å; E179-Q181 VanDerWaalsContact CD-NE2 3.27Å; E179-Q181 HydrophobicContact CG-CG 4.34Å; E179-Q181 PolarHBondContact OE1-NE2 3.32Å
180E95.1Very high89.5Confident108 Ų10854.1 Ų54.151%0.50528%0.281SS..EExtended strand (participates in β ladder)trans-74.7129.6175.2-167.6177.7169.300110.1H167 L168 Y169H167-E180 IonicContact CE1-OE1 3.15Å; H167-E180 IonicContact CG-OE1 2.7Å; H167-E180 IonicContact ND1-OE1 3.91Å; H167-E180 PolarHBondContact ND1-OE1 3.3Å; L168-E180 CarbonylContact O-C 3.56Å; L168-E180 VanDerWaalsContact O-CA 3.3Å; L168-E180 WeakPolarHBondContact O-CA 3.32Å; Y169-E180 HydrophobicContact CD1-CB 4.01Å; Y169-E180 HydrophobicContact CE1-CB 3.71Å; Y169-E180 HydrophobicContact CE1-CG 4.07Å
181Q93.3Very high89.4Confident44 Ų4456.5 Ų56.521%0.20629%0.291CS..EExtended strand (participates in β ladder)trans-121.5153.6178.2-70.7-68.2-24.300110.6L168 M170 E179 V183L168-Q181 HydrophobicContact CD2-CB 4.07Å; L168-Q181 HydrophobicContact CG-CB 4.32Å; L168-Q181 PolarHBondContact O-N 3.49Å; M170-Q181 HydrophobicContact CE-CB 4.37Å; M170-Q181 HydrophobicContact CE-CG 3.91Å; E179-Q181 VanDerWaalsContact CD-NE2 3.27Å; E179-Q181 HydrophobicContact CG-CG 4.34Å; E179-Q181 PolarHBondContact OE1-NE2 3.32Å; Q181-V183 PolarHBondContact O-N 3.39Å; Q181-V183 VanDerWaalsContact O-N 3.15Å
182P93.3Very high89.4Confident50 Ų5063.7 Ų63.733%0.32533%0.325SS..  trans-61.5118.6175.6-21.433000111.3E184 K185P182-E184 VanDerWaalsContact CB-CD 3.46Å; P182-E184 HydrophobicContact CB-CG 4.1Å; P182-E184 WeakPolarHBondContact CB-OE2 3.39Å; P182-E184 PolarHBondContact O-N 3.49Å; P182-K185 HydrophobicContact CB-CD 4.37Å; P182-K185 HydrophobicContact CB-CG 4.32Å; P182-K185 HydrophobicContact CG-CD 4.39Å; P182-K185 PolarHBondContact O-N 3.05Å
183V93.8Very high89.9Confident18 Ų1862.7 Ų62.711%0.10932%0.319CS..G310 helixtrans-60.4-32.2-174.967.40000112.2I166 L168 Q181 K185 L186 F187 L190I166-V183 HydrophobicContact CB-CG2 4.44Å; I166-V183 HydrophobicContact CG2-CG2 4.49Å; L168-V183 HydrophobicContact CB-CB 4.2Å; L168-V183 HydrophobicContact CB-CG2 4.37Å; Q181-V183 PolarHBondContact O-N 3.39Å; Q181-V183 VanDerWaalsContact O-N 3.15Å; V183-K185 PolarHBondContact O-N 3.09Å; V183-K185 VanDerWaalsContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 3.48Å; V183-F187 HydrophobicContact CG2-CB 3.88Å; V183-F187 HydrophobicContact CG2-CD2 4.21Å; V183-F187 HydrophobicContact CG2-CG 4.39Å; V183-F187 CarbonylContact O-C 3.5Å; V183-F187 WeakPolarHBondContact O-CA 3.44Å; V183-F187 PolarHBondContact O-N 2.76Å; V183-L190 HydrophobicContact CG2-CB 4.31Å; V183-L190 HydrophobicContact CG2-CD1 4.31Å
184E91.4Very high90.7Very high93 Ų9363.6 Ų63.644%0.43532%0.323SS..G310 helixtrans-58.7-23.6179.556-95.8-139.800114.8P182 L186 Q191P182-E184 VanDerWaalsContact CB-CD 3.46Å; P182-E184 HydrophobicContact CB-CG 4.1Å; P182-E184 WeakPolarHBondContact CB-OE2 3.39Å; P182-E184 PolarHBondContact O-N 3.49Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-Q191 HydrophobicContact CB-CG 3.98Å
185K89.2Confident91.5Very high119 Ų11959.2 Ų59.252%0.51729%0.292SS..G310 helixtrans-69.3-34.5-179.1-68.3178.7-179.2174.40112.1P182 V183 P231P182-K185 HydrophobicContact CB-CD 4.37Å; P182-K185 HydrophobicContact CB-CG 4.32Å; P182-K185 HydrophobicContact CG-CD 4.39Å; P182-K185 PolarHBondContact O-N 3.05Å; V183-K185 PolarHBondContact O-N 3.09Å; V183-K185 VanDerWaalsContact O-N 3.1Å; K185-P231 WeakPolarHBondContact O-CB 3.36Å
186L91.3Very high92.3Very high35 Ų3554.8 Ų54.818%0.18327%0.269CS..THydrogen-bonded Turntrans-116.9-22.6-175.1-60-176.8000113.1V146 L168 M170 V183 E184 R210V146-L186 HydrophobicContact CG2-CD1 4.1Å; L168-L186 HydrophobicContact CD2-CB 4.38Å; L168-L186 HydrophobicContact CD2-CD1 3.88Å; L168-L186 HydrophobicContact CD2-CG 4.28Å; M170-L186 HydrophobicContact CE-CD1 4.34Å; M170-L186 HydrophobicContact SD-CD1 4.01Å; V183-L186 PolarHBondContact O-N 3.48Å; E184-L186 VanDerWaalsContact C-N 3.34Å; L186-R210 PolarHBondContact O-NH2 3.19Å
187F94.6Very high93.3Very high0 Ų049.2 Ų49.20%024%0.244CC..  trans-134.965.3-176.5-55.7-94.1000110.6T144 V146 V156 L158 L168 V183 E189 L190 M202T144-F187 HydrophobicContact CG2-CE1 3.86Å; T144-F187 HydrophobicContact CG2-CZ 3.61Å; V146-F187 HydrophobicContact CG1-CE1 4.04Å; V146-F187 HydrophobicContact CG1-CE2 3.88Å; V146-F187 HydrophobicContact CG1-CZ 3.29Å; V156-F187 HydrophobicContact CG2-CE2 4.05Å; V156-F187 HydrophobicContact CG2-CZ 3.94Å; L158-F187 HydrophobicContact CD1-CD1 4.26Å; L158-F187 HydrophobicContact CD1-CE1 3.87Å; L158-F187 HydrophobicContact CD1-CE2 4.46Å; L158-F187 HydrophobicContact CD1-CZ 3.98Å; L158-F187 HydrophobicContact CD2-CD2 4.05Å; L158-F187 HydrophobicContact CD2-CE2 3.8Å; L158-F187 HydrophobicContact CD2-CZ 4.11Å; L158-F187 HydrophobicContact CG-CZ 4.36Å; L168-F187 HydrophobicContact CD1-CE2 3.96Å; V183-F187 HydrophobicContact CG2-CB 3.88Å; V183-F187 HydrophobicContact CG2-CD2 4.21Å; V183-F187 HydrophobicContact CG2-CG 4.39Å; V183-F187 CarbonylContact O-C 3.5Å; V183-F187 WeakPolarHBondContact O-CA 3.44Å; V183-F187 PolarHBondContact O-N 2.76Å; F187-E189 WeakPolarHBondContact CA-OE2 3.47Å; F187-E189 PolarHBondContact O-N 2.87Å; F187-E189 VanDerWaalsContact O-N 3.12Å; F187-L190 HydrophobicContact CB-CB 4.22Å; F187-L190 HydrophobicContact CB-CD1 3.69Å; F187-L190 HydrophobicContact CB-CG 3.9Å; F187-L190 HydrophobicContact CD1-CD1 4.05Å; F187-L190 HydrophobicContact CG-CD1 4.01Å; F187-L190 PolarHBondContact O-N 2.64Å; F187-L190 VanDerWaalsContact O-N 3.1Å; F187-M202 HydrophobicContact CD1-CE 4.19Å; F187-M202 HydrophobicContact CE1-CE 4.37Å; F187-M202 HydrophobicContact CE1-SD 4.46Å
188P94.2Very high94Very high21 Ų2145.8 Ų45.814%0.13623%0.228CC..G310 helixtrans-56.7-27.3178.828.1-39.8000113.4L190 Q191 V226 P231 V233P188-L190 VanDerWaalsContact C-N 3.28Å; P188-L190 PolarHBondContact O-N 3.08Å; P188-Q191 WeakPolarHBondContact O-CG 3.37Å; P188-Q191 PolarHBondContact O-N 2.98Å; P188-V226 HydrophobicContact CG-CG1 4.2Å; P188-P231 HydrophobicContact CG-CB 4.1Å; P188-P231 WeakPolarHBondContact CG-O 3.22Å; P188-V233 HydrophobicContact CB-CG2 4.04Å; P188-V233 HydrophobicContact CG-CG2 3.85Å
189E95.4Very high94.3Very high2 Ų247.2 Ų47.21%0.00923%0.233CC..G310 helixtrans-68.8-22.4179.371-82.1-155.200114.4F187 Q191 R210 S212 A224 V226 V233F187-E189 WeakPolarHBondContact CA-OE2 3.47Å; F187-E189 PolarHBondContact O-N 2.87Å; F187-E189 VanDerWaalsContact O-N 3.12Å; E189-Q191 VanDerWaalsContact C-N 3.29Å; E189-R210 IonicContact OE1-CZ 3.75Å; E189-R210 IonicContact OE1-NE 3.45Å; E189-R210 IonicContact OE1-NH2 2.84Å; E189-R210 PolarHBondContact OE1-NH2 3.03Å; E189-R210 IonicContact OE2-NH2 3.56Å; E189-S212 VanDerWaalsContact OE1-CB 3.3Å; E189-S212 WeakPolarHBondContact OE1-CB 3.4Å; E189-S212 PolarHBondContact OE1-OG 3.5Å; E189-A224 HydrophobicContact CB-CB 3.6Å; E189-A224 HydrophobicContact CG-CB 4Å; E189-V226 HydrophobicContact CB-CG2 3.96Å; E189-V226 HydrophobicContact CG-CG2 3.94Å; E189-V233 HydrophobicContact CB-CG2 3.86Å
190L95.6Very high94.6Very high6 Ų644 Ų443%0.03122%0.218CC..G310 helixtrans-88.75.2-179.4-59.5-177.3000112.7L158 I166 V183 F187 P188 L193 L200 M202 Y214L158-L190 HydrophobicContact CD1-CD1 4.16Å; I166-L190 HydrophobicContact CB-CD1 4.39Å; I166-L190 HydrophobicContact CG1-CB 4.45Å; I166-L190 HydrophobicContact CG1-CD1 4.3Å; I166-L190 HydrophobicContact CG2-CD1 4.19Å; V183-L190 HydrophobicContact CG2-CB 4.31Å; V183-L190 HydrophobicContact CG2-CD1 4.31Å; F187-L190 HydrophobicContact CB-CB 4.22Å; F187-L190 HydrophobicContact CB-CD1 3.69Å; F187-L190 HydrophobicContact CB-CG 3.9Å; F187-L190 HydrophobicContact CD1-CD1 4.05Å; F187-L190 HydrophobicContact CG-CD1 4.01Å; F187-L190 PolarHBondContact O-N 2.64Å; F187-L190 VanDerWaalsContact O-N 3.1Å; P188-L190 VanDerWaalsContact C-N 3.28Å; P188-L190 PolarHBondContact O-N 3.08Å; L190-L193 WeakPolarHBondContact O-CG 3.3Å; L190-L200 HydrophobicContact CD2-CD2 4.02Å; L190-M202 HydrophobicContact CD1-CE 3.95Å; L190-M202 HydrophobicContact CD2-CE 4.24Å; L190-M202 HydrophobicContact CG-CE 4.46Å; L190-Y214 HydrophobicContact CD2-CD1 4.07Å
191Q90.6Very high94.7Very high85 Ų8540 Ų4040%0.39720%0.2SC..SBendtrans-75.4147.6169.1-63.8-178.139.200111.5E184 P188 E189E184-Q191 HydrophobicContact CB-CG 3.98Å; P188-Q191 WeakPolarHBondContact O-CG 3.37Å; P188-Q191 PolarHBondContact O-N 2.98Å; E189-Q191 VanDerWaalsContact C-N 3.29Å
192Q88.8Confident94.8Very high176 Ų17638.7 Ų38.782%0.82219%0.194SC*.SBendtrans53.460.3172.9-58.2177.7-2.200112.2R238Q192-R238 PolarHBondContact O-NH2 3.36Å
193L95.9Very high94.8Very high17 Ų1736.9 Ų36.99%0.08918%0.184CC..  trans-69.6145.2176.7-67.5168.1000110.8I166 L190 S195 V197 Y214I166-L193 HydrophobicContact CD1-CD1 4.05Å; I166-L193 HydrophobicContact CG1-CD1 3.67Å; L190-L193 WeakPolarHBondContact O-CG 3.3Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-V197 HydrophobicContact CD1-CG2 3.58Å; L193-V197 HydrophobicContact CD2-CG2 3.93Å; L193-V197 HydrophobicContact CG-CG2 4.23Å; L193-Y214 HydrophobicContact CD2-CD1 4.21Å; L193-Y214 HydrophobicContact CD2-CD2 4.18Å; L193-Y214 HydrophobicContact CD2-CE1 3.91Å; L193-Y214 HydrophobicContact CD2-CE2 3.9Å; L193-Y214 HydrophobicContact CD2-CG 4.33Å
194P95.6Very high94.7Very high46 Ų4640 Ų4030%0.29921%0.207SC..SBendtrans-75.7-21.9-176.529.9-33.3000113Y214 C220P194-Y214 HydrophobicContact CG-CE2 4.21Å; P194-C220 HydrophobicContact CB-CB 4.23Å; P194-C220 HydrophobicContact CG-CB 3.72Å; P194-C220 WeakPolarHBondContact CG-SG 3.33Å
195S97.4Very high94.5Very high17 Ų1736.4 Ų36.412%0.11919%0.191CC..SBendtrans-167.5-178179-174.10000109.3L193 V197 N218L193-S195 VanDerWaalsContact C-N 3.32Å; S195-V197 PolarHBondContact O-N 3.48Å; S195-N218 WeakPolarHBondContact CB-ND2 3.17Å; S195-N218 WeakPolarHBondContact CB-OD1 3.46Å
196N97.9Very high94.3Very high19 Ų1934.9 Ų34.910%0.10220%0.2CC..  trans-56.5123.1174-69-17.9000110.2F139 H162 Q164 C216 Q217F139-N196 HydrophobicContact CE2-CB 3.81Å; H162-N196 VanDerWaalsContact C-OD1 3.3Å; H162-N196 PolarHBondContact O-OD1 2.71Å; H162-N196 VanDerWaalsContact O-OD1 3.08Å; Q164-N196 WeakPolarHBondContact CG-OD1 3.2Å; Q164-N196 PolarHBondContact N-OD1 2.66Å; N196-C216 CarbonylContact O-C 3.6Å; N196-C216 WeakPolarHBondContact O-CA 3.47Å; N196-C216 WeakPolarHBondContact O-CB 3.1Å; N196-Q217 HydrophobicContact CB-CB 4.06Å; N196-Q217 PolarHBondContact ND2-OE1 2.66Å; N196-Q217 PolarHBondContact O-N 3.23Å
197V98.3Very high93.9Very high1 Ų136.3 Ų36.31%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-79.9127.6175.3172.80000108.6S160 I166 L193 S195 W199 L200 Y214S160-V197 WeakPolarHBondContact CB-O 3.39Å; S160-V197 PolarHBondContact OG-O 2.95Å; I166-V197 HydrophobicContact CD1-CB 3.84Å; I166-V197 HydrophobicContact CD1-CG1 4.15Å; I166-V197 HydrophobicContact CD1-CG2 4.14Å; L193-V197 HydrophobicContact CD1-CG2 3.58Å; L193-V197 HydrophobicContact CD2-CG2 3.93Å; L193-V197 HydrophobicContact CG-CG2 4.23Å; S195-V197 PolarHBondContact O-N 3.48Å; V197-W199 WeakPolarHBondContact CG1-O 3.3Å; V197-L200 HydrophobicContact CG1-CD2 3.97Å; V197-L200 HydrophobicContact CG1-CG 3.79Å; V197-Y214 HydrophobicContact CG2-CD2 4.18Å; V197-Y214 HydrophobicContact CG2-CG 4.4Å
198L98Very high93.5Very high27 Ų2737.6 Ų37.614%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-99.3-31.5177.2-61.4-177.5000111.5Y26 F139 G215 Q217 P244 I245Y26-L198 PolarHBondContact OH-O 2.83Å; F139-L198 HydrophobicContact CD2-CD2 4.27Å; F139-L198 HydrophobicContact CE2-CD2 4.49Å; F139-L198 HydrophobicContact CG-CD2 4.39Å; L198-G215 PolarHBondContact N-O 3.06Å; L198-Q217 HydrophobicContact CD1-CB 3.98Å; L198-Q217 HydrophobicContact CD1-CG 4.35Å; L198-Q217 HydrophobicContact CD2-CB 4.23Å; L198-Q217 HydrophobicContact CG-CB 4.05Å; L198-P244 HydrophobicContact CD1-CB 4.23Å; L198-I245 WeakPolarHBondContact CD1-O 3.43Å
199W98.4Very high93.4Very high40 Ų4040.5 Ų40.515%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-142.4137.6179.5-157.4-81.6000111.4Y26 Q140 V197 Y214 G215 T247 V248Y26-W199 HydrophobicContact CD1-CE3 4.31Å; Y26-W199 AromaticContact CD1-CZ3 3.82Å; Y26-W199 HydrophobicContact CD1-CZ3 3.82Å; Y26-W199 AromaticContact CE1-CE3 3.68Å; Y26-W199 HydrophobicContact CE1-CE3 3.68Å; Y26-W199 AromaticContact CE1-CZ3 3.62Å; Y26-W199 HydrophobicContact CE1-CZ3 3.62Å; Q140-W199 VanDerWaalsContact NE2-CE2 3.32Å; Q140-W199 VanDerWaalsContact OE1-CA 3.28Å; V197-W199 WeakPolarHBondContact CG1-O 3.3Å; W199-Y214 CarbonylContact O-C 3.54Å; W199-Y214 VanDerWaalsContact O-CA 3.27Å; W199-Y214 WeakPolarHBondContact O-CA 3.47Å; W199-G215 PolarHBondContact N-O 3.2Å; W199-G215 PolarHBondContact O-N 2.96Å; W199-T247 HydrophobicContact CD2-CG2 4.17Å; W199-T247 HydrophobicContact CE3-CG2 4.09Å; W199-T247 HydrophobicContact CH2-CG2 4.48Å; W199-T247 HydrophobicContact CZ3-CG2 4.26Å; W199-V248 HydrophobicContact CB-CG2 4.25Å; W199-V248 HydrophobicContact CG-CG2 4.32Å; W199-V248 PolarHBondContact NE1-O 2.99Å
200L98.1Very high93.3Very high0 Ų040.8 Ų40.80%025%0.248CC..EExtended strand (participates in β ladder)trans-118.7143.6173.2-73165.3000109Y142 L158 I166 L190 V197 M202Y142-L200 HydrophobicContact CD1-CB 4.08Å; Y142-L200 HydrophobicContact CG-CB 4.32Å; L158-L200 HydrophobicContact CB-CD1 4.1Å; L158-L200 HydrophobicContact CD1-CD1 4.34Å; I166-L200 HydrophobicContact CD1-CD1 3.97Å; I166-L200 HydrophobicContact CG1-CD1 4.44Å; I166-L200 HydrophobicContact CG2-CD1 4.19Å; L190-L200 HydrophobicContact CD2-CD2 4.02Å; V197-L200 HydrophobicContact CG1-CD2 3.97Å; V197-L200 HydrophobicContact CG1-CG 3.79Å; L200-M202 HydrophobicContact CD2-CE 4.18Å
201D97.9Very high93.3Very high24 Ų2440.5 Ų40.513%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-147.8142164.1-16729.5000111.3Y142 A213 V248 L249 L250Y142-D201 PolarHBondContact OH-OD1 2.78Å; Y142-D201 VanDerWaalsContact OH-OD1 3.09Å; D201-A213 PolarHBondContact N-O 2.92Å; D201-A213 PolarHBondContact O-N 2.94Å; D201-V248 HydrophobicContact CB-CG2 4.41Å; D201-V248 WeakPolarHBondContact CB-O 3.39Å; D201-L249 WeakPolarHBondContact OD2-CA 3.3Å; D201-L250 PolarHBondContact OD2-N 2.81Å
202M95.5Very high93.6Very high16 Ų1636.5 Ų36.58%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-133132.3-170.4-61.2-72.617200109.3Y142 T144 L158 F187 L190 L200 L211 S212Y142-M202 HydrophobicContact CE1-CB 4.13Å; Y142-M202 HydrophobicContact CE1-CG 3.69Å; Y142-M202 WeakPolarHBondContact OH-CB 3.46Å; Y142-M202 PolarHBondContact OH-N 2.82Å; T144-M202 HydrophobicContact CG2-CG 4.41Å; L158-M202 HydrophobicContact CD1-CE 4.16Å; F187-M202 HydrophobicContact CD1-CE 4.19Å; F187-M202 HydrophobicContact CE1-CE 4.37Å; F187-M202 HydrophobicContact CE1-SD 4.46Å; L190-M202 HydrophobicContact CD1-CE 3.95Å; L190-M202 HydrophobicContact CD2-CE 4.24Å; L190-M202 HydrophobicContact CG-CE 4.46Å; L200-M202 HydrophobicContact CD2-CE 4.18Å; M202-L211 WeakPolarHBondContact CA-O 3.31Å; M202-S212 WeakPolarHBondContact SD-CA 3.48Å; M202-S212 WeakPolarHBondContact SD-CB 3.42Å; M202-S212 PolarHBondContact SD-OG 2.99Å
203A93.8Very high94Very high13 Ų1328.1 Ų28.111%0.10719%0.189CC..EExtended strand (participates in β ladder)trans-129.4126175.700000111.2R210 L211 L250 Y273A203-R210 CarbonylContact O-C 3.53Å; A203-R210 WeakPolarHBondContact O-CA 3.46Å; A203-L211 PolarHBondContact N-O 2.74Å; A203-L211 PolarHBondContact O-N 3.27Å; A203-L250 HydrophobicContact CB-CB 3.97Å; A203-L250 HydrophobicContact CB-CD1 3.99Å; A203-Y273 HydrophobicContact CB-CD1 4.01Å; A203-Y273 HydrophobicContact CB-CE1 3.6Å
204S90.3Very high94.1Very high84 Ų8427.4 Ų27.459%0.58719%0.186SC*.EExtended strand (participates in β ladder)trans-70.1136.1170.1-1680000110.1Q228 Y273S204-Q228 PolarHBondContact OG-NE2 3.37Å; S204-Y273 PolarHBondContact O-OH 3.37Å
205V87.8Confident94.3Very high16 Ų1625.2 Ų25.210%0.09717%0.171CC..EExtended strand (participates in β ladder)trans-124.1151.2-177.7178.80000109.1K209 L211 Y273 Q291V205-K209 HydrophobicContact CB-CB 4.17Å; V205-K209 PolarHBondContact N-O 3.5Å; V205-K209 PolarHBondContact O-N 3.36Å; V205-K209 VanDerWaalsContact O-O 3.11Å; V205-L211 HydrophobicContact CG2-CB 4.41Å; V205-L211 HydrophobicContact CG2-CD1 3.93Å; V205-L211 HydrophobicContact CG2-CG 3.87Å; V205-Y273 HydrophobicContact CG2-CD2 4.44Å; V205-Y273 HydrophobicContact CG2-CE2 4.15Å; V205-Q291 VanDerWaalsContact CG2-NE2 3.26Å
206A85.4Confident94.3Very high87 Ų8724.4 Ų24.472%0.71917%0.166SC*.THydrogen-bonded Turntrans-49.3145.3176.700000113.2
207G83.1Confident94.3Very high66 Ų6627.9 Ų27.968%0.6818%0.181SC*.THydrogen-bonded Turntrans80.226.8178.700000114.6K209G207-K209 VanDerWaalsContact C-N 3.35Å
208G85.8Confident94.2Very high27 Ų2730.9 Ų30.928%0.27820%0.197SC..THydrogen-bonded Turntrans67.835.1178.100000112.5N227 Q228G208-N227 PolarHBondContact O-OD1 3.34Å; G208-Q228 VanDerWaalsContact O-CB 3.29Å; G208-Q228 WeakPolarHBondContact O-CB 3.46Å; G208-Q228 PolarHBondContact O-N 3.08Å
209K91.1Very high94.2Very high82 Ų8229.6 Ų29.636%0.35719%0.191SC..EExtended strand (participates in β ladder)trans-110.4160.5179.2-66.8177.4-175.3174.30110.2V205 G207 L225 V226 Q228 L234V205-K209 HydrophobicContact CB-CB 4.17Å; V205-K209 PolarHBondContact N-O 3.5Å; V205-K209 PolarHBondContact O-N 3.36Å; V205-K209 VanDerWaalsContact O-O 3.11Å; G207-K209 VanDerWaalsContact C-N 3.35Å; K209-L225 HydrophobicContact CB-CD1 4.21Å; K209-L225 HydrophobicContact CD-CD1 4.41Å; K209-V226 CarbonylContact C-O 3.47Å; K209-V226 VanDerWaalsContact CA-O 3.24Å; K209-V226 WeakPolarHBondContact CA-O 3.45Å; K209-Q228 PolarHBondContact O-NE2 3.47Å; K209-L234 HydrophobicContact CD-CD1 3.98Å; K209-L234 HydrophobicContact CG-CD1 4.18Å
210R93.4Very high94.1Very high7 Ų728.1 Ų28.13%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-132.9139.3173.7-177.5175.567.1-143.7-4.7109.5L186 E189 A203 S212 L225 V226 Q228L186-R210 PolarHBondContact O-NH2 3.19Å; E189-R210 IonicContact OE1-CZ 3.75Å; E189-R210 IonicContact OE1-NE 3.45Å; E189-R210 IonicContact OE1-NH2 2.84Å; E189-R210 PolarHBondContact OE1-NH2 3.03Å; E189-R210 IonicContact OE2-NH2 3.56Å; A203-R210 CarbonylContact O-C 3.53Å; A203-R210 WeakPolarHBondContact O-CA 3.46Å; R210-S212 PolarHBondContact NE-OG 2.75Å; R210-L225 WeakPolarHBondContact O-CA 3.5Å; R210-V226 PolarHBondContact N-O 2.72Å; R210-V226 PolarHBondContact O-N 2.83Å; R210-Q228 HydrophobicContact CB-CG 3.84Å
211L95.6Very high94.1Very high0 Ų028.1 Ų28.10%019%0.186CC..EExtended strand (participates in β ladder)trans-94.1131.3161.1-75.5169.3000108.7M202 A203 V205 L223 A224 L225 L250 Y273 V290 Q291M202-L211 WeakPolarHBondContact CA-O 3.31Å; A203-L211 PolarHBondContact N-O 2.74Å; A203-L211 PolarHBondContact O-N 3.27Å; V205-L211 HydrophobicContact CG2-CB 4.41Å; V205-L211 HydrophobicContact CG2-CD1 3.93Å; V205-L211 HydrophobicContact CG2-CG 3.87Å; L211-L223 HydrophobicContact CD2-CD1 4.26Å; L211-A224 WeakPolarHBondContact CA-O 3.36Å; L211-L225 HydrophobicContact CD2-CB 4.17Å; L211-L225 HydrophobicContact CD2-CD1 3.78Å; L211-L225 HydrophobicContact CG-CD1 4.13Å; L211-L250 HydrophobicContact CB-CD1 3.75Å; L211-L250 HydrophobicContact CB-CD2 4.32Å; L211-L250 HydrophobicContact CD1-CD2 4.37Å; L211-L250 WeakPolarHBondContact O-CD1 3.42Å; L211-Y273 HydrophobicContact CD1-CD1 4.15Å; L211-Y273 HydrophobicContact CD1-CD2 4.41Å; L211-Y273 HydrophobicContact CD1-CG 3.78Å; L211-V290 HydrophobicContact CD1-CG2 4.05Å; L211-Q291 HydrophobicContact CD1-CG 3.73Å; L211-Q291 HydrophobicContact CD2-CG 4.33Å; L211-Q291 HydrophobicContact CG-CG 4.37Å
212S96.9Very high94.1Very high1 Ų127 Ų271%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-124.2118.3-179.3-52.70000108.7E189 M202 R210 L223 A224E189-S212 VanDerWaalsContact OE1-CB 3.3Å; E189-S212 WeakPolarHBondContact OE1-CB 3.4Å; E189-S212 PolarHBondContact OE1-OG 3.5Å; M202-S212 WeakPolarHBondContact SD-CA 3.48Å; M202-S212 WeakPolarHBondContact SD-CB 3.42Å; M202-S212 PolarHBondContact SD-OG 2.99Å; R210-S212 PolarHBondContact NE-OG 2.75Å; S212-L223 CarbonylContact O-C 3.53Å; S212-L223 WeakPolarHBondContact O-CA 3.42Å; S212-A224 PolarHBondContact N-O 2.9Å; S212-A224 PolarHBondContact O-N 2.83Å
213A98.1Very high94.2Very high0 Ų026.2 Ų26.20%018%0.176CC..EExtended strand (participates in β ladder)trans-116.2142.5177.900000110.7D201 G222 L223 V248 L250 L275D201-A213 PolarHBondContact N-O 2.92Å; D201-A213 PolarHBondContact O-N 2.94Å; A213-G222 WeakPolarHBondContact CA-O 3.33Å; A213-L223 HydrophobicContact CB-CD1 4.21Å; A213-V248 HydrophobicContact CB-CB 4.46Å; A213-V248 HydrophobicContact CB-CG2 4.18Å; A213-L250 HydrophobicContact CB-CD1 4.03Å; A213-L250 HydrophobicContact CB-CD2 4.39Å; A213-L250 HydrophobicContact CB-CG 4.06Å; A213-L275 HydrophobicContact CB-CD1 3.66Å
214Y98.4Very high94.4Very high3 Ų325.7 Ų25.71%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-140.4145.3171.561.4-98.5000112L190 L193 P194 V197 W199 I221 G222 R238L190-Y214 HydrophobicContact CD2-CD1 4.07Å; L193-Y214 HydrophobicContact CD2-CD1 4.21Å; L193-Y214 HydrophobicContact CD2-CD2 4.18Å; L193-Y214 HydrophobicContact CD2-CE1 3.91Å; L193-Y214 HydrophobicContact CD2-CE2 3.9Å; L193-Y214 HydrophobicContact CD2-CG 4.33Å; P194-Y214 HydrophobicContact CG-CE2 4.21Å; V197-Y214 HydrophobicContact CG2-CD2 4.18Å; V197-Y214 HydrophobicContact CG2-CG 4.4Å; W199-Y214 CarbonylContact O-C 3.54Å; W199-Y214 VanDerWaalsContact O-CA 3.27Å; W199-Y214 WeakPolarHBondContact O-CA 3.47Å; Y214-I221 WeakPolarHBondContact O-CA 3.32Å; Y214-G222 VanDerWaalsContact CZ-CA 3.49Å; Y214-G222 PolarHBondContact N-O 2.75Å; Y214-G222 PolarHBondContact O-N 3.09Å; Y214-R238 PolarHBondContact OH-NE 2.84Å; Y214-R238 PolarHBondContact OH-NH2 2.93Å; Y214-R238 VanDerWaalsContact OH-NH2 3.12Å
215G98.3Very high94.6Very high0 Ų022.3 Ų22.30%015%0.147CC..EExtended strand (participates in β ladder)trans-114.7131.2171.700000111.2L198 W199L198-G215 PolarHBondContact N-O 3.06Å; W199-G215 PolarHBondContact N-O 3.2Å; W199-G215 PolarHBondContact O-N 2.96Å
216C98.2Very high94.9Very high0 Ų021.6 Ų21.60%014%0.143CC..EExtended strand (participates in β ladder)trans-105.4158.9-177.3-66.10000113.7N196 N218 G219 C220 I245N196-C216 CarbonylContact O-C 3.6Å; N196-C216 WeakPolarHBondContact O-CA 3.47Å; N196-C216 WeakPolarHBondContact O-CB 3.1Å; C216-N218 VanDerWaalsContact CB-OD1 3.27Å; C216-N218 WeakPolarHBondContact CB-OD1 3.46Å; C216-N218 PolarHBondContact O-N 3.17Å; C216-G219 PolarHBondContact O-N 3.29Å; C216-C220 HydrophobicContact CB-CB 4.19Å; C216-C220 VanDerWaalsContact CB-O 3.28Å; C216-C220 WeakPolarHBondContact CB-O 3.31Å; C216-C220 PolarHBondContact N-O 2.79Å; C216-I245 PolarHBondContact O-N 2.74Å
217Q97.4Very high95.1Very high91 Ų9119.2 Ų19.243%0.42512%0.118SC..THydrogen-bonded Turntrans-60.5-31.3176.2-173.7178.710.800113.2N196 L198 G219 P244N196-Q217 HydrophobicContact CB-CB 4.06Å; N196-Q217 PolarHBondContact ND2-OE1 2.66Å; N196-Q217 PolarHBondContact O-N 3.23Å; L198-Q217 HydrophobicContact CD1-CB 3.98Å; L198-Q217 HydrophobicContact CD1-CG 4.35Å; L198-Q217 HydrophobicContact CD2-CB 4.23Å; L198-Q217 HydrophobicContact CG-CB 4.05Å; Q217-G219 VanDerWaalsContact C-N 3.26Å; Q217-G219 PolarHBondContact O-N 3.14Å; Q217-P244 WeakPolarHBondContact O-CA 3.36Å; Q217-P244 WeakPolarHBondContact O-CB 3.47Å; Q217-P244 WeakPolarHBondContact O-CG 3.4Å
218N96.8Very high95.2Very high65 Ų6517.7 Ų17.735%0.3489%0.093SC..THydrogen-bonded Turntrans-84.88.5177.873.6-19.2000113.8S195 C216 C220 Q240S195-N218 WeakPolarHBondContact CB-ND2 3.17Å; S195-N218 WeakPolarHBondContact CB-OD1 3.46Å; C216-N218 VanDerWaalsContact CB-OD1 3.27Å; C216-N218 WeakPolarHBondContact CB-OD1 3.46Å; C216-N218 PolarHBondContact O-N 3.17Å; N218-C220 VanDerWaalsContact C-N 3.34Å; N218-C220 VanDerWaalsContact OD1-CB 3.25Å; N218-C220 WeakPolarHBondContact OD1-CB 3.23Å; N218-C220 PolarHBondContact OD1-N 3.4Å; N218-Q240 PolarHBondContact O-NE2 3.33Å
219G97.4Very high94.9Very high0 Ų022.6 Ų22.60%011%0.113CC..SBendtrans83.80.1-176.900000115.2C216 Q217 F241 S243C216-G219 PolarHBondContact O-N 3.29Å; Q217-G219 VanDerWaalsContact C-N 3.26Å; Q217-G219 PolarHBondContact O-N 3.14Å; G219-F241 WeakPolarHBondContact O-CB 3.38Å; G219-F241 PolarHBondContact O-N 2.85Å; G219-S243 WeakPolarHBondContact CA-O 3.4Å
220C97.8Very high94Very high8 Ų819.9 Ų19.95%0.05411%0.108CC..EExtended strand (participates in β ladder)trans-73.9134.7174.4-170.80000110.6P194 C216 N218P194-C220 HydrophobicContact CB-CB 4.23Å; P194-C220 HydrophobicContact CG-CB 3.72Å; P194-C220 WeakPolarHBondContact CG-SG 3.33Å; C216-C220 HydrophobicContact CB-CB 4.19Å; C216-C220 VanDerWaalsContact CB-O 3.28Å; C216-C220 WeakPolarHBondContact CB-O 3.31Å; C216-C220 PolarHBondContact N-O 2.79Å; N218-C220 VanDerWaalsContact C-N 3.34Å; N218-C220 VanDerWaalsContact OD1-CB 3.25Å; N218-C220 WeakPolarHBondContact OD1-CB 3.23Å; N218-C220 PolarHBondContact OD1-N 3.4Å
221I97.8Very high93.2Very high0 Ų023.4 Ų23.40%013%0.132CC..EExtended strand (participates in β ladder)trans-110.7139.9166.9-62.2118.4000109Y214 R238 V239 F241 I245 L275 I277Y214-I221 WeakPolarHBondContact O-CA 3.32Å; I221-R238 VanDerWaalsContact O-CA 3.25Å; I221-R238 WeakPolarHBondContact O-CA 3.06Å; I221-V239 HydrophobicContact CB-CG1 3.88Å; I221-V239 HydrophobicContact CD1-CG1 3.68Å; I221-V239 HydrophobicContact CG1-CG1 4.43Å; I221-V239 PolarHBondContact N-O 2.8Å; I221-V239 PolarHBondContact O-N 2.93Å; I221-F241 HydrophobicContact CD1-CD2 3.09Å; I221-F241 HydrophobicContact CD1-CE2 3.22Å; I221-F241 HydrophobicContact CD1-CG 3.91Å; I221-F241 HydrophobicContact CD1-CZ 4.11Å; I221-I245 HydrophobicContact CD1-CD1 3.6Å; I221-I245 HydrophobicContact CD1-CG1 4.21Å; I221-I245 HydrophobicContact CG1-CD1 3.84Å; I221-I245 HydrophobicContact CG1-CG1 3.89Å; I221-L275 HydrophobicContact CG2-CD2 4.35Å; I221-I277 HydrophobicContact CB-CD1 4.22Å; I221-I277 HydrophobicContact CD1-CD1 3.67Å; I221-I277 HydrophobicContact CD1-CG2 3.72Å; I221-I277 HydrophobicContact CG1-CD1 3.86Å; I221-I277 HydrophobicContact CG1-CG2 4.03Å; I221-I277 HydrophobicContact CG2-CD1 3.77Å
222G97.4Very high92.9Very high0 Ų029.1 Ų29.10%016%0.159CC..EExtended strand (participates in β ladder)trans-117.6142.8165.200000111.6A213 Y214 W237A213-G222 WeakPolarHBondContact CA-O 3.33Å; Y214-G222 VanDerWaalsContact CZ-CA 3.49Å; Y214-G222 PolarHBondContact N-O 2.75Å; Y214-G222 PolarHBondContact O-N 3.09Å; G222-W237 WeakPolarHBondContact CA-O 3.39Å
223L98Very high92.8Very high1 Ų131.4 Ų31.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-127.4137167178.170000107.9L211 S212 A213 K236 W237 L250 V290 L295L211-L223 HydrophobicContact CD2-CD1 4.26Å; S212-L223 CarbonylContact O-C 3.53Å; S212-L223 WeakPolarHBondContact O-CA 3.42Å; A213-L223 HydrophobicContact CB-CD1 4.21Å; L223-K236 CarbonylContact O-C 3.55Å; L223-K236 WeakPolarHBondContact O-CA 3.37Å; L223-W237 HydrophobicContact CB-CB 4.42Å; L223-W237 HydrophobicContact CB-CE3 4.11Å; L223-W237 HydrophobicContact CD2-CD2 4.4Å; L223-W237 HydrophobicContact CD2-CE3 3.71Å; L223-W237 HydrophobicContact CD2-CZ3 4.04Å; L223-W237 HydrophobicContact CG-CE3 3.76Å; L223-W237 HydrophobicContact CG-CZ3 4.12Å; L223-W237 PolarHBondContact N-O 3.48Å; L223-W237 PolarHBondContact O-N 2.97Å; L223-L250 HydrophobicContact CD1-CD2 4.07Å; L223-V290 HydrophobicContact CD2-CB 3.63Å; L223-V290 HydrophobicContact CD2-CG1 4.38Å; L223-V290 HydrophobicContact CD2-CG2 3.91Å; L223-L295 HydrophobicContact CB-CD1 4.38Å; L223-L295 HydrophobicContact CB-CD2 4.28Å; L223-L295 HydrophobicContact CB-CG 4.42Å; L223-L295 HydrophobicContact CD2-CD2 3.98Å; L223-L295 HydrophobicContact CD2-CG 4.39Å
224A96.8Very high92.6Very high2 Ų234.5 Ų34.52%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-136.2141.9173.900000110.9E189 L211 S212 V226 V233 Q235E189-A224 HydrophobicContact CB-CB 3.6Å; E189-A224 HydrophobicContact CG-CB 4Å; L211-A224 WeakPolarHBondContact CA-O 3.36Å; S212-A224 PolarHBondContact N-O 2.9Å; S212-A224 PolarHBondContact O-N 2.83Å; A224-V226 HydrophobicContact CB-CG2 3.99Å; A224-V233 HydrophobicContact CB-CG1 4.26Å; A224-Q235 CarbonylContact C-O 3.46Å; A224-Q235 VanDerWaalsContact CA-O 3.27Å; A224-Q235 WeakPolarHBondContact CA-O 3.21Å
225L95.4Very high92.4Very high12 Ų1238.7 Ų38.76%0.06321%0.209CC..EExtended strand (participates in β ladder)trans-102.2123165.4-178.468000107.5K209 R210 L211 L234 Q235 W237K209-L225 HydrophobicContact CB-CD1 4.21Å; K209-L225 HydrophobicContact CD-CD1 4.41Å; R210-L225 WeakPolarHBondContact O-CA 3.5Å; L211-L225 HydrophobicContact CD2-CB 4.17Å; L211-L225 HydrophobicContact CD2-CD1 3.78Å; L211-L225 HydrophobicContact CG-CD1 4.13Å; L225-L234 HydrophobicContact CD2-CD1 4.38Å; L225-L234 HydrophobicContact CG-CB 4.43Å; L225-L234 HydrophobicContact CG-CD1 4.28Å; L225-L234 WeakPolarHBondContact O-CA 3.46Å; L225-L234 WeakPolarHBondContact O-CB 3.27Å; L225-L234 PolarHBondContact O-N 2.84Å; L225-Q235 HydrophobicContact CB-CB 4.23Å; L225-Q235 PolarHBondContact N-O 3.4Å; L225-Q235 PolarHBondContact O-N 3.43Å; L225-Q235 VanDerWaalsContact O-N 3.14Å; L225-W237 HydrophobicContact CB-CH2 4.25Å; L225-W237 HydrophobicContact CB-CZ3 4.13Å
226V93.9Very high92.3Very high1 Ų142.9 Ų42.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-126.3140.2-169-175.30000109.5P188 E189 K209 R210 A224 E232 V233P188-V226 HydrophobicContact CG-CG1 4.2Å; E189-V226 HydrophobicContact CB-CG2 3.96Å; E189-V226 HydrophobicContact CG-CG2 3.94Å; K209-V226 CarbonylContact C-O 3.47Å; K209-V226 VanDerWaalsContact CA-O 3.24Å; K209-V226 WeakPolarHBondContact CA-O 3.45Å; R210-V226 PolarHBondContact N-O 2.72Å; R210-V226 PolarHBondContact O-N 2.83Å; A224-V226 HydrophobicContact CB-CG2 3.99Å; V226-E232 WeakPolarHBondContact CG1-O 3.49Å; V226-V233 HydrophobicContact CG2-CG2 4.48Å
227N90.5Very high92.2Very high38 Ų3845.3 Ų45.320%0.20324%0.236CC..EExtended strand (participates in β ladder)trans-80.8129169.4-173.94000108.7G208 N229 G230 E232 L234G208-N227 PolarHBondContact O-OD1 3.34Å; N227-N229 WeakPolarHBondContact OD1-CB 3.45Å; N227-N229 PolarHBondContact OD1-N 2.94Å; N227-G230 CarbonylContact C-O 3.6Å; N227-G230 CarbonylContact O-C 3.53Å; N227-E232 PolarHBondContact N-O 2.84Å; N227-L234 HydrophobicContact CB-CD1 4.22Å; N227-L234 HydrophobicContact CB-CD2 4.17Å; N227-L234 HydrophobicContact CB-CG 4.16Å
228Q83.4Confident92.2Very high33 Ų3346.6 Ų46.615%0.15424%0.237CC..THydrogen-bonded Turntrans-87.6-20.2177.3-58.6-167.563.800112Q147 S204 G208 K209 R210 G230Q147-Q228 HydrophobicContact CB-CB 4.49Å; S204-Q228 PolarHBondContact OG-NE2 3.37Å; G208-Q228 VanDerWaalsContact O-CB 3.29Å; G208-Q228 WeakPolarHBondContact O-CB 3.46Å; G208-Q228 PolarHBondContact O-N 3.08Å; K209-Q228 PolarHBondContact O-NE2 3.47Å; R210-Q228 HydrophobicContact CB-CG 3.84Å; Q228-G230 VanDerWaalsContact C-N 3.27Å; Q228-G230 PolarHBondContact O-N 3.21Å
229N79.8Confident92.2Very high130 Ų13045.4 Ų45.470%0.69523%0.232SC*.THydrogen-bonded Turntrans-75.1-19.4179.3-64.4-29.1000113N227N227-N229 WeakPolarHBondContact OD1-CB 3.45Å; N227-N229 PolarHBondContact OD1-N 2.94Å
230G73.8Confident92.2Very high25 Ų2550.5 Ų50.526%0.25826%0.256SS..THydrogen-bonded Turntrans-154.6135.5170.100000106.9N227 Q228 E232N227-G230 CarbonylContact C-O 3.6Å; N227-G230 CarbonylContact O-C 3.53Å; Q228-G230 VanDerWaalsContact C-N 3.27Å; Q228-G230 PolarHBondContact O-N 3.21Å; G230-E232 PolarHBondContact O-N 3.03Å
231P75.3Confident92.1Very high82 Ų8250.7 Ų50.753%0.53226%0.256SS..THydrogen-bonded Turntrans-7073.5-170.530.3-36.5000110.9K185 P188K185-P231 WeakPolarHBondContact O-CB 3.36Å; P188-P231 HydrophobicContact CG-CB 4.1Å; P188-P231 WeakPolarHBondContact CG-O 3.22Å
232E89.5Confident91.9Very high120 Ų12058 Ų5856%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-124.3127.5-176.6-174.5-178.5-175.100109.5V226 N227 G230 L234V226-E232 WeakPolarHBondContact CG1-O 3.49Å; N227-E232 PolarHBondContact N-O 2.84Å; G230-E232 PolarHBondContact O-N 3.03Å; E232-L234 PolarHBondContact O-N 2.77Å
233V94.4Very high91.8Very high49 Ų4958.2 Ų58.230%0.29730%0.296SS..EExtended strand (participates in β ladder)trans-80.7108.2173.2-175.70000108.4P188 E189 A224 V226 K236P188-V233 HydrophobicContact CB-CG2 4.04Å; P188-V233 HydrophobicContact CG-CG2 3.85Å; E189-V233 HydrophobicContact CB-CG2 3.86Å; A224-V233 HydrophobicContact CB-CG1 4.26Å; V226-V233 HydrophobicContact CG2-CG2 4.48Å; V233-K236 HydrophobicContact CG1-CB 4.16Å
234L94.1Very high91.8Very high65 Ų6560.4 Ų60.434%0.3431%0.31SS..EExtended strand (participates in β ladder)trans-72.7-45.4-179.9-59.2176.8000111.2K209 L225 N227 E232K209-L234 HydrophobicContact CD-CD1 3.98Å; K209-L234 HydrophobicContact CG-CD1 4.18Å; L225-L234 HydrophobicContact CD2-CD1 4.38Å; L225-L234 HydrophobicContact CG-CB 4.43Å; L225-L234 HydrophobicContact CG-CD1 4.28Å; L225-L234 WeakPolarHBondContact O-CA 3.46Å; L225-L234 WeakPolarHBondContact O-CB 3.27Å; L225-L234 PolarHBondContact O-N 2.84Å; N227-L234 HydrophobicContact CB-CD1 4.22Å; N227-L234 HydrophobicContact CB-CD2 4.17Å; N227-L234 HydrophobicContact CB-CG 4.16Å; E232-L234 PolarHBondContact O-N 2.77Å
235Q94.3Very high91.9Very high91 Ų9160.3 Ų60.343%0.42531%0.31SS..EExtended strand (participates in β ladder)trans-146.1150.1179.8-59-172.838.800110.2A224 L225 W237A224-Q235 CarbonylContact C-O 3.46Å; A224-Q235 VanDerWaalsContact CA-O 3.27Å; A224-Q235 WeakPolarHBondContact CA-O 3.21Å; L225-Q235 HydrophobicContact CB-CB 4.23Å; L225-Q235 PolarHBondContact N-O 3.4Å; L225-Q235 PolarHBondContact O-N 3.43Å; L225-Q235 VanDerWaalsContact O-N 3.14Å; Q235-W237 HydrophobicContact CB-CE3 4.5Å; Q235-W237 HydrophobicContact CB-CH2 3.41Å; Q235-W237 VanDerWaalsContact CB-CH2 3.41Å; Q235-W237 HydrophobicContact CB-CZ2 3.73Å; Q235-W237 HydrophobicContact CB-CZ3 3.83Å; Q235-W237 HydrophobicContact CG-CH2 4.27Å; Q235-W237 HydrophobicContact CG-CZ2 4.4Å
236K95.8Very high91.9Very high88 Ų8860.1 Ų60.138%0.38331%0.31SS..EExtended strand (participates in β ladder)trans-143.8134179.8-171.6171.4-176.1164.70110.3L223 V233L223-K236 CarbonylContact O-C 3.55Å; L223-K236 WeakPolarHBondContact O-CA 3.37Å; V233-K236 HydrophobicContact CG1-CB 4.16Å
237W97.1Very high92.1Very high50 Ų5060.1 Ų60.119%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-127.8151.3176.8-54.5-91.3000110G222 L223 L225 Q235 G294 L295G222-W237 WeakPolarHBondContact CA-O 3.39Å; L223-W237 HydrophobicContact CB-CB 4.42Å; L223-W237 HydrophobicContact CB-CE3 4.11Å; L223-W237 HydrophobicContact CD2-CD2 4.4Å; L223-W237 HydrophobicContact CD2-CE3 3.71Å; L223-W237 HydrophobicContact CD2-CZ3 4.04Å; L223-W237 HydrophobicContact CG-CE3 3.76Å; L223-W237 HydrophobicContact CG-CZ3 4.12Å; L223-W237 PolarHBondContact N-O 3.48Å; L223-W237 PolarHBondContact O-N 2.97Å; L225-W237 HydrophobicContact CB-CH2 4.25Å; L225-W237 HydrophobicContact CB-CZ3 4.13Å; Q235-W237 HydrophobicContact CB-CE3 4.5Å; Q235-W237 HydrophobicContact CB-CH2 3.41Å; Q235-W237 VanDerWaalsContact CB-CH2 3.41Å; Q235-W237 HydrophobicContact CB-CZ2 3.73Å; Q235-W237 HydrophobicContact CB-CZ3 3.83Å; Q235-W237 HydrophobicContact CG-CH2 4.27Å; Q235-W237 HydrophobicContact CG-CZ2 4.4Å; W237-G294 VanDerWaalsContact CE2-CA 3.43Å; W237-L295 HydrophobicContact CB-CB 4.42Å; W237-L295 HydrophobicContact CB-CD1 3.74Å; W237-L295 HydrophobicContact CB-CG 3.78Å
238R96.8Very high92.5Very high118 Ų11858.3 Ų58.345%0.44530%0.3SS..EExtended strand (participates in β ladder)trans-141.4144.8174.4-72.9-176.4169.1169.6-3.4110.1Q192 Y214 I221Q192-R238 PolarHBondContact O-NH2 3.36Å; Y214-R238 PolarHBondContact OH-NE 2.84Å; Y214-R238 PolarHBondContact OH-NH2 2.93Å; Y214-R238 VanDerWaalsContact OH-NH2 3.12Å; I221-R238 VanDerWaalsContact O-CA 3.25Å; I221-R238 WeakPolarHBondContact O-CA 3.06Å
239V96.7Very high93.1Very high40 Ų4058.1 Ų58.124%0.24230%0.3CS..EExtended strand (participates in β ladder)trans-139.8153.617167.40000108.7I221 F241 L295I221-V239 HydrophobicContact CB-CG1 3.88Å; I221-V239 HydrophobicContact CD1-CG1 3.68Å; I221-V239 HydrophobicContact CG1-CG1 4.43Å; I221-V239 PolarHBondContact N-O 2.8Å; I221-V239 PolarHBondContact O-N 2.93Å; V239-F241 HydrophobicContact CG1-CD2 4.27Å; V239-F241 HydrophobicContact CG1-CE2 3.9Å; V239-F241 HydrophobicContact CG2-CE2 4.4Å; V239-L295 HydrophobicContact CB-CD1 4.15Å; V239-L295 HydrophobicContact CG1-CD1 3.86Å
240Q97Very high94Very high107 Ų10752.8 Ų52.850%0.527%0.271SS..EExtended strand (participates in β ladder)trans-117.1126.6-176.6-177.563.753.200109.2N218N218-Q240 PolarHBondContact O-NE2 3.33Å
241F96.1Very high94.9Very high13 Ų1351.9 Ų51.96%0.05726%0.26CS..  trans-103.8160.3170.6-80.8-121.9000109G219 I221 V239 S243 I245 I277 E282 V285G219-F241 WeakPolarHBondContact O-CB 3.38Å; G219-F241 PolarHBondContact O-N 2.85Å; I221-F241 HydrophobicContact CD1-CD2 3.09Å; I221-F241 HydrophobicContact CD1-CE2 3.22Å; I221-F241 HydrophobicContact CD1-CG 3.91Å; I221-F241 HydrophobicContact CD1-CZ 4.11Å; V239-F241 HydrophobicContact CG1-CD2 4.27Å; V239-F241 HydrophobicContact CG1-CE2 3.9Å; V239-F241 HydrophobicContact CG2-CE2 4.4Å; F241-S243 VanDerWaalsContact C-N 3.3Å; F241-I245 HydrophobicContact CB-CD1 3.9Å; F241-I245 HydrophobicContact CD1-CD1 4.42Å; F241-I245 HydrophobicContact CD2-CD1 4.46Å; F241-I245 HydrophobicContact CG-CD1 4.02Å; F241-I277 HydrophobicContact CE1-CG2 4.36Å; F241-I277 HydrophobicContact CE2-CD1 4.5Å; F241-I277 HydrophobicContact CE2-CG2 4.48Å; F241-I277 HydrophobicContact CZ-CG2 4.12Å; F241-E282 WeakPolarHBondContact CB-OE2 3.46Å; F241-E282 HydrophobicContact CD1-CB 4.32Å; F241-V285 HydrophobicContact CE1-CG2 4.1Å; F241-V285 HydrophobicContact CZ-CB 4.3Å; F241-V285 HydrophobicContact CZ-CG2 4.05Å
242D94.8Very high95.6Very high154 Ų15450.3 Ų50.382%0.82425%0.25SS*.SBendtrans-86.9-1.8-178.3-70.2-28.8000113.1E282D242-E282 WeakPolarHBondContact CA-OE2 3.26Å; D242-E282 PolarHBondContact N-OE1 3.25Å; D242-E282 PolarHBondContact N-OE2 2.93Å
243S95.5Very high94.9Very high3 Ų345.1 Ų45.12%0.02123%0.226CC..SBendtrans-138156.9-177.152.20000113.4G219 F241 I245 S279 E282G219-S243 WeakPolarHBondContact CA-O 3.4Å; F241-S243 VanDerWaalsContact C-N 3.3Å; S243-I245 PolarHBondContact O-N 3.21Å; S243-S279 WeakPolarHBondContact CB-OG 3.38Å; S243-S279 PolarHBondContact O-OG 3.48Å; S243-S279 WeakPolarHBondContact OG-CB 3.21Å; S243-S279 PolarHBondContact OG-OG 2.9Å; S243-E282 PolarHBondContact N-OE2 3.02Å; S243-E282 WeakPolarHBondContact OG-CG 3.27Å; S243-E282 PolarHBondContact OG-N 3.03Å; S243-E282 PolarHBondContact OG-OE2 2.91Å
244P97.3Very high93.5Very high47 Ų4745.1 Ų45.131%0.30523%0.228SC..  trans-58130.4178.2-23.230.5000112.5L198 Q217 S246 S279 T280L198-P244 HydrophobicContact CD1-CB 4.23Å; Q217-P244 WeakPolarHBondContact O-CA 3.36Å; Q217-P244 WeakPolarHBondContact O-CB 3.47Å; Q217-P244 WeakPolarHBondContact O-CG 3.4Å; P244-S246 PolarHBondContact O-N 2.69Å; P244-S279 PolarHBondContact O-OG 3.44Å; P244-T280 WeakPolarHBondContact CD-OG1 3.5Å; P244-T280 PolarHBondContact O-N 3.41Å; P244-T280 VanDerWaalsContact O-N 3.09Å; P244-T280 PolarHBondContact O-OG1 2.95Å; P244-T280 VanDerWaalsContact O-OG1 3.05Å
245I98Very high91.4Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-71.5127.3178.1-51.8-56.1000109.3L198 C216 I221 F241 S243 V248 I277 T278L198-I245 WeakPolarHBondContact CD1-O 3.43Å; C216-I245 PolarHBondContact O-N 2.74Å; I221-I245 HydrophobicContact CD1-CD1 3.6Å; I221-I245 HydrophobicContact CD1-CG1 4.21Å; I221-I245 HydrophobicContact CG1-CD1 3.84Å; I221-I245 HydrophobicContact CG1-CG1 3.89Å; F241-I245 HydrophobicContact CB-CD1 3.9Å; F241-I245 HydrophobicContact CD1-CD1 4.42Å; F241-I245 HydrophobicContact CD2-CD1 4.46Å; F241-I245 HydrophobicContact CG-CD1 4.02Å; S243-I245 PolarHBondContact O-N 3.21Å; I245-V248 HydrophobicContact CG2-CG1 3.81Å; I245-I277 HydrophobicContact CD1-CG2 4.21Å; I245-I277 HydrophobicContact CG2-CG2 4.23Å; I245-T278 WeakPolarHBondContact CG2-O 3.41Å
246S96.9Very high89Confident9 Ų948.4 Ų48.46%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-92.9-41.8179.951.30000112.6P244 T278 V310P244-S246 PolarHBondContact O-N 2.69Å; S246-T278 PolarHBondContact N-O 3.06Å; S246-T278 PolarHBondContact OG-O 2.88Å; S246-T278 PolarHBondContact OG-OG1 2.75Å; S246-V310 WeakPolarHBondContact CB-O 3.41Å; S246-V310 PolarHBondContact OG-O 2.85Å
247T97.5Very high86.2Confident1 Ų149.3 Ų49.31%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-145.9150.5175.470.90000111.8W199 T278W199-T247 HydrophobicContact CD2-CG2 4.17Å; W199-T247 HydrophobicContact CE3-CG2 4.09Å; W199-T247 HydrophobicContact CH2-CG2 4.48Å; W199-T247 HydrophobicContact CZ3-CG2 4.26Å; T247-T278 WeakPolarHBondContact CB-OG1 3.29Å; T247-T278 PolarHBondContact N-O 3.15Å; T247-T278 PolarHBondContact N-OG1 2.78Å; T247-T278 VanDerWaalsContact N-OG1 3.08Å; T247-T278 PolarHBondContact O-N 3.3Å; T247-T278 PolarHBondContact OG1-OG1 2.74Å
248V97.8Very high83.3Confident0 Ų056.7 Ų56.70%030%0.296CS..EExtended strand (participates in β ladder)trans-128.9132.9165.5-650000108.3W199 D201 A213 I245 L275 L276W199-V248 HydrophobicContact CB-CG2 4.25Å; W199-V248 HydrophobicContact CG-CG2 4.32Å; W199-V248 PolarHBondContact NE1-O 2.99Å; D201-V248 HydrophobicContact CB-CG2 4.41Å; D201-V248 WeakPolarHBondContact CB-O 3.39Å; A213-V248 HydrophobicContact CB-CB 4.46Å; A213-V248 HydrophobicContact CB-CG2 4.18Å; I245-V248 HydrophobicContact CG2-CG1 3.81Å; V248-L275 HydrophobicContact CB-CD1 4.25Å; V248-L276 CarbonylContact C-O 3.56Å; V248-L276 WeakPolarHBondContact CA-O 3.25Å
249L97.8Very high80.3Confident28 Ų2856.1 Ų56.115%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-136.8125.2-179-64.8176.6000111.5D201 L275 L276 A313 V315D201-L249 WeakPolarHBondContact OD2-CA 3.3Å; L249-L275 CarbonylContact O-C 3.55Å; L249-L275 WeakPolarHBondContact O-CA 3.4Å; L249-L276 HydrophobicContact CB-CB 4.34Å; L249-L276 HydrophobicContact CD1-CD2 4.32Å; L249-L276 PolarHBondContact N-O 3.47Å; L249-L276 PolarHBondContact O-N 3.49Å; L249-A313 HydrophobicContact CD1-CB 3.67Å; L249-A313 WeakPolarHBondContact CD1-O 3.16Å; L249-V315 HydrophobicContact CD1-CG2 4.45Å
250L96.6Very high77.6Confident18 Ų1859.6 Ų59.69%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-91126.7172.8-71.2167.7000109.6D201 A203 L211 A213 L223 N274 L275 V290D201-L250 PolarHBondContact OD2-N 2.81Å; A203-L250 HydrophobicContact CB-CB 3.97Å; A203-L250 HydrophobicContact CB-CD1 3.99Å; L211-L250 HydrophobicContact CB-CD1 3.75Å; L211-L250 HydrophobicContact CB-CD2 4.32Å; L211-L250 HydrophobicContact CD1-CD2 4.37Å; L211-L250 WeakPolarHBondContact O-CD1 3.42Å; A213-L250 HydrophobicContact CB-CD1 4.03Å; A213-L250 HydrophobicContact CB-CD2 4.39Å; A213-L250 HydrophobicContact CB-CG 4.06Å; L223-L250 HydrophobicContact CD1-CD2 4.07Å; L250-N274 WeakPolarHBondContact CA-O 3.38Å; L250-L275 HydrophobicContact CD2-CB 4.26Å; L250-L275 HydrophobicContact CD2-CD1 3.86Å; L250-L275 HydrophobicContact CG-CD1 4.13Å; L250-V290 HydrophobicContact CD2-CG2 4.36Å
251F94.2Very high74.8Confident6 Ų662.7 Ų62.73%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-151.2144.4-179.166.6-77.7000112.5L253 N274 L276 V286 V315 V326F251-L253 HydrophobicContact CD2-CD1 4.08Å; F251-L253 HydrophobicContact CE2-CD1 3.27Å; F251-L253 HydrophobicContact CE2-CG 4.34Å; F251-L253 HydrophobicContact CZ-CD1 3.94Å; F251-N274 HydrophobicContact CD1-CB 4.3Å; F251-N274 HydrophobicContact CE1-CB 3.85Å; F251-N274 HydrophobicContact CE2-CB 4.18Å; F251-N274 HydrophobicContact CZ-CB 3.81Å; F251-N274 PolarHBondContact N-O 2.83Å; F251-N274 PolarHBondContact O-N 3.45Å; F251-N274 PolarHBondContact O-ND2 2.86Å; F251-L276 HydrophobicContact CD1-CB 4.41Å; F251-L276 HydrophobicContact CE1-CB 3.76Å; F251-V286 HydrophobicContact CE1-CG1 4.43Å; F251-V286 HydrophobicContact CZ-CG1 4.01Å; F251-V286 HydrophobicContact CZ-CG2 4.41Å; F251-V315 HydrophobicContact CB-CB 4.24Å; F251-V315 HydrophobicContact CB-CG1 4.18Å; F251-V315 HydrophobicContact CD1-CB 4.45Å; F251-V315 HydrophobicContact CD1-CG1 4.38Å; F251-V315 HydrophobicContact CD1-CG2 3.98Å; F251-V315 HydrophobicContact CD2-CB 4.16Å; F251-V315 HydrophobicContact CD2-CG1 3.32Å; F251-V315 HydrophobicContact CD2-CG2 4.4Å; F251-V315 HydrophobicContact CE1-CG2 4.2Å; F251-V315 HydrophobicContact CE2-CG1 3.59Å; F251-V315 HydrophobicContact CG-CB 4.04Å; F251-V315 HydrophobicContact CG-CG1 3.72Å; F251-V315 HydrophobicContact CG-CG2 4.09Å; F251-V315 HydrophobicContact CZ-CG1 4.3Å; F251-V315 HydrophobicContact CZ-CG2 4.44Å; F251-V326 HydrophobicContact CZ-CG2 4.45Å
252P89.1Confident72.2Confident50 Ų5067.4 Ų67.433%0.32539%0.392SS..EExtended strand (participates in β ladder)trans-75139.1171.730.7-33.8000110.2
253L74.4Confident69.5Low10 Ų1064.8 Ų64.85%0.05239%0.385CS..  trans-104.8122.4159.6-108.7106.9000108.4F251 C255 G271 N274 F340 F351F251-L253 HydrophobicContact CD2-CD1 4.08Å; F251-L253 HydrophobicContact CE2-CD1 3.27Å; F251-L253 HydrophobicContact CE2-CG 4.34Å; F251-L253 HydrophobicContact CZ-CD1 3.94Å; L253-C255 PolarHBondContact O-N 3.32Å; L253-G271 WeakPolarHBondContact O-CA 3.28Å; L253-N274 VanDerWaalsContact CB-ND2 3.33Å; L253-N274 WeakPolarHBondContact CB-ND2 3.38Å; L253-N274 HydrophobicContact CD1-CB 4.3Å; L253-N274 WeakPolarHBondContact CD1-ND2 3.35Å; L253-N274 PolarHBondContact N-ND2 2.93Å; L253-F340 HydrophobicContact CD2-CB 4.12Å; L253-F340 HydrophobicContact CD2-CD1 3.85Å; L253-F340 HydrophobicContact CD2-CE1 4.45Å; L253-F340 HydrophobicContact CD2-CG 3.97Å; L253-F351 HydrophobicContact CD1-CZ 4.22Å
254S65.4Low66.7Low50 Ų5069 Ų6935%0.3543%0.43SS..  trans-72.995.8157.933.20000108.6Q256 G322S254-Q256 PolarHBondContact O-N 3.39Å; S254-G322 PolarHBondContact OG-O 3.33Å
255C51Low63.5Low74 Ų7474.3 Ų74.350%0.545%0.45SS..  trans-83.8106.5163.5-77.50000108.2L253 T257L253-C255 PolarHBondContact O-N 3.32Å; C255-T257 PolarHBondContact O-N 2.82Å
256Q43.9Very low60.6Low151 Ų15186.3 Ų86.371%0.70650%0.496SS*.  trans-7185.6164.9-69-173.217.300108.7S254 K258S254-Q256 PolarHBondContact O-N 3.39Å; Q256-K258 PolarHBondContact O-N 2.98Å
257T37.1Very low57.6Low107 Ų10793.9 Ų93.966%0.65653%0.528SS*.  trans-65.9111.5159280000106.9C255 S259C255-T257 PolarHBondContact O-N 2.82Å; T257-S259 PolarHBondContact O-N 2.82Å
258K35.5Very low54.8Low204 Ų204102.6 Ų102.689%0.88757%0.568SS**  trans-63.288162.7-68.9-179.4-178.8176.70106.8Q256 S260Q256-K258 PolarHBondContact O-N 2.98Å; K258-S260 PolarHBondContact O-N 2.85Å; K258-S260 VanDerWaalsContact O-N 3.08Å
259S33.6Very low52.1Low107 Ų107110.4 Ų110.475%0.74861%0.605SS**  trans-62.4112.516248.40000106.4T257 E261T257-S259 PolarHBondContact O-N 2.82Å; S259-E261 PolarHBondContact O-N 2.86Å
260S40.5Very low49.8Very low113 Ų113117 Ų11779%0.7964%0.639SS**  trans-63.494.8162.4165.20000106.4K258K258-S260 PolarHBondContact O-N 2.85Å; K258-S260 VanDerWaalsContact O-N 3.08Å
261E37.1Very low48Very low172 Ų172117.4 Ų117.480%0.80465%0.648SS**  trans-167.4135.6144.8-104.4163-14700111.3S259 S263S259-E261 PolarHBondContact O-N 2.86Å; E261-S263 PolarHBondContact O-N 3.01Å
262A41.8Very low47.4Very low112 Ų112118.1 Ų118.193%0.92666%0.657SS**  trans-71.288.2-177.100000111
263S38.5Very low47.6Very low98 Ų98118.1 Ų118.169%0.68565%0.651SS**  trans-157119.2157.853.20000108.9E261 E265E261-S263 PolarHBondContact O-N 3.01Å; S263-E265 PolarHBondContact O-N 2.86Å
264G36.6Very low48.5Very low93 Ų93117.8 Ų117.896%0.95965%0.649SS**  trans-71.756.1-16900000116.1
265E31Very low50Low157 Ų157115.4 Ų115.473%0.73463%0.632SS**  trans-119.1100.5165.2-69.2-172.4179.100109.1S263 K267S263-E265 PolarHBondContact O-N 2.86Å; E265-K267 PolarHBondContact O-N 3.32Å
266R35.7Very low52.3Low253 Ų253111.9 Ų111.996%0.95561%0.608SS**  trans-69.584.3166.5-70.1179.4-173.4175.81.4108E268R266-E268 PolarHBondContact O-N 2.89Å
267K34.4Very low54.8Low168 Ų168104.7 Ų104.773%0.7358%0.575SS**  trans-73.6107.3160-87.8-178.5176.8173.30107.2E265 E269E265-K267 PolarHBondContact O-N 3.32Å; K267-E269 VanDerWaalsContact C-N 3.25Å; K267-E269 PolarHBondContact O-N 3.36Å
268E38.8Very low57.7Low184 Ų18499.6 Ų99.686%0.8654%0.544SS*.  trans-60.896.4157.7-71.8178.9170.200106.6R266 L270R266-E268 PolarHBondContact O-N 2.89Å; E268-L270 PolarHBondContact O-N 2.92Å
269E41Very low60.5Low163 Ų16390 Ų9076%0.76250%0.502SS*.  trans-63122162.7-70.9-175.6163.900106.2K267 G271K267-E269 VanDerWaalsContact C-N 3.25Å; K267-E269 PolarHBondContact O-N 3.36Å; E269-G271 VanDerWaalsContact C-N 3.34Å; E269-G271 PolarHBondContact O-N 3.25Å
270L48.8Very low63.4Low168 Ų16886.9 Ų86.988%0.8848%0.479SS*.  trans-56103171.9-90.8113.5000107.6E268E268-L270 PolarHBondContact O-N 2.92Å
271G59.7Low65.8Low26 Ų2687.6 Ų87.627%0.26847%0.472SS..PPolyproline II helixtrans-60.7146.9179.500000111L253 E269L253-G271 WeakPolarHBondContact O-CA 3.28Å; E269-G271 VanDerWaalsContact C-N 3.34Å; E269-G271 PolarHBondContact O-N 3.25Å
272G82.4Confident68.5Low21 Ų2182 Ų8222%0.21645%0.446CS..PPolyproline II helixtrans-54.8155.4177.100000112.4N274G272-N274 PolarHBondContact O-ND2 3.32Å
273Y91.6Very high71Confident50 Ų5079.4 Ų79.420%0.19642%0.415CS..EExtended strand (participates in β ladder)trans-76.6146.5172.4-79.6-108000110.2A203 S204 V205 L211 D289 V290A203-Y273 HydrophobicContact CB-CD1 4.01Å; A203-Y273 HydrophobicContact CB-CE1 3.6Å; S204-Y273 PolarHBondContact O-OH 3.37Å; V205-Y273 HydrophobicContact CG2-CD2 4.44Å; V205-Y273 HydrophobicContact CG2-CE2 4.15Å; L211-Y273 HydrophobicContact CD1-CD1 4.15Å; L211-Y273 HydrophobicContact CD1-CD2 4.41Å; L211-Y273 HydrophobicContact CD1-CG 3.78Å; Y273-D289 CarbonylContact O-C 3.53Å; Y273-D289 VanDerWaalsContact O-CA 3.29Å; Y273-D289 WeakPolarHBondContact O-CA 3.48Å; Y273-D289 PolarHBondContact O-N 3.01Å; Y273-V290 WeakPolarHBondContact O-CG2 3.38Å; Y273-V290 PolarHBondContact O-N 3.06Å
274N94.4Very high73.8Confident3 Ų374.7 Ų74.72%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-120.2159.1176.7-50.8-84.8000108.3L250 F251 L253 G272 V286 Y287 R288 D289L250-N274 WeakPolarHBondContact CA-O 3.38Å; F251-N274 HydrophobicContact CD1-CB 4.3Å; F251-N274 HydrophobicContact CE1-CB 3.85Å; F251-N274 HydrophobicContact CE2-CB 4.18Å; F251-N274 HydrophobicContact CZ-CB 3.81Å; F251-N274 PolarHBondContact N-O 2.83Å; F251-N274 PolarHBondContact O-N 3.45Å; F251-N274 PolarHBondContact O-ND2 2.86Å; L253-N274 VanDerWaalsContact CB-ND2 3.33Å; L253-N274 WeakPolarHBondContact CB-ND2 3.38Å; L253-N274 HydrophobicContact CD1-CB 4.3Å; L253-N274 WeakPolarHBondContact CD1-ND2 3.35Å; L253-N274 PolarHBondContact N-ND2 2.93Å; G272-N274 PolarHBondContact O-ND2 3.32Å; N274-V286 HydrophobicContact CB-CG1 4.19Å; N274-Y287 CarbonylContact C-O 3.46Å; N274-Y287 WeakPolarHBondContact CA-O 3.39Å; N274-Y287 WeakPolarHBondContact CB-O 3.33Å; N274-R288 WeakPolarHBondContact OD1-CA 3.41Å; N274-R288 WeakPolarHBondContact OD1-CB 3.39Å; N274-D289 PolarHBondContact OD1-N 2.88Å
275L97.2Very high76.7Confident0 Ų070.9 Ų70.90%034%0.34CS..EExtended strand (participates in β ladder)trans-124.8113177.5177.367.6000109.1A213 I221 V248 L249 L250 I277 V286 Y287 V290 L295A213-L275 HydrophobicContact CB-CD1 3.66Å; I221-L275 HydrophobicContact CG2-CD2 4.35Å; V248-L275 HydrophobicContact CB-CD1 4.25Å; L249-L275 CarbonylContact O-C 3.55Å; L249-L275 WeakPolarHBondContact O-CA 3.4Å; L250-L275 HydrophobicContact CD2-CB 4.26Å; L250-L275 HydrophobicContact CD2-CD1 3.86Å; L250-L275 HydrophobicContact CG-CD1 4.13Å; L275-I277 HydrophobicContact CD2-CD1 3.89Å; L275-I277 HydrophobicContact CD2-CG1 4.09Å; L275-I277 HydrophobicContact CG-CD1 4.26Å; L275-I277 HydrophobicContact CG-CG1 3.9Å; L275-V286 CarbonylContact O-C 3.6Å; L275-V286 WeakPolarHBondContact O-CA 3.28Å; L275-Y287 PolarHBondContact N-O 2.79Å; L275-Y287 PolarHBondContact O-N 3.43Å; L275-V290 HydrophobicContact CB-CG1 3.85Å; L275-L295 HydrophobicContact CD2-CD2 3.72Å
276L97.9Very high79.8Confident0 Ų063.4 Ų63.40%031%0.306CS..EExtended strand (participates in β ladder)trans-84.3134.4167.7173.166.8000108.6V248 L249 F251 T278 V286 L301 A313 V315 V326 L328V248-L276 CarbonylContact C-O 3.56Å; V248-L276 WeakPolarHBondContact CA-O 3.25Å; L249-L276 HydrophobicContact CB-CB 4.34Å; L249-L276 HydrophobicContact CD1-CD2 4.32Å; L249-L276 PolarHBondContact N-O 3.47Å; L249-L276 PolarHBondContact O-N 3.49Å; F251-L276 HydrophobicContact CD1-CB 4.41Å; F251-L276 HydrophobicContact CE1-CB 3.76Å; L276-T278 HydrophobicContact CD1-CG2 4.44Å; L276-T278 HydrophobicContact CG-CG2 4.32Å; L276-V286 HydrophobicContact CB-CG2 4.28Å; L276-V286 HydrophobicContact CD1-CG2 3.59Å; L276-L301 HydrophobicContact CD1-CD2 4.21Å; L276-A313 HydrophobicContact CD2-CB 3.71Å; L276-V315 HydrophobicContact CD2-CG2 4.03Å; L276-V326 HydrophobicContact CD1-CG1 4.08Å; L276-V326 HydrophobicContact CD2-CG1 3.46Å; L276-V326 VanDerWaalsContact CD2-CG1 3.46Å; L276-V326 HydrophobicContact CG-CG1 4.43Å; L276-L328 HydrophobicContact CD2-CD2 4.2Å
277I97.9Very high82.7Confident0 Ų052.1 Ų52.10%026%0.263CS..EExtended strand (participates in β ladder)trans-126.7127.7176.1-52.7-170.8000107.7I221 F241 I245 L275 A284 V285 Y287I221-I277 HydrophobicContact CB-CD1 4.22Å; I221-I277 HydrophobicContact CD1-CD1 3.67Å; I221-I277 HydrophobicContact CD1-CG2 3.72Å; I221-I277 HydrophobicContact CG1-CD1 3.86Å; I221-I277 HydrophobicContact CG1-CG2 4.03Å; I221-I277 HydrophobicContact CG2-CD1 3.77Å; F241-I277 HydrophobicContact CE1-CG2 4.36Å; F241-I277 HydrophobicContact CE2-CD1 4.5Å; F241-I277 HydrophobicContact CE2-CG2 4.48Å; F241-I277 HydrophobicContact CZ-CG2 4.12Å; I245-I277 HydrophobicContact CD1-CG2 4.21Å; I245-I277 HydrophobicContact CG2-CG2 4.23Å; L275-I277 HydrophobicContact CD2-CD1 3.89Å; L275-I277 HydrophobicContact CD2-CG1 4.09Å; L275-I277 HydrophobicContact CG-CD1 4.26Å; L275-I277 HydrophobicContact CG-CG1 3.9Å; I277-A284 WeakPolarHBondContact O-CA 3.13Å; I277-V285 PolarHBondContact N-O 2.67Å; I277-V285 PolarHBondContact O-N 3.43Å; I277-Y287 HydrophobicContact CD1-CD2 3.69Å; I277-Y287 HydrophobicContact CD1-CE2 3.43Å; I277-Y287 VanDerWaalsContact CD1-CE2 3.43Å; I277-Y287 HydrophobicContact CG1-CD2 4.11Å; I277-Y287 HydrophobicContact CG1-CE2 4.15Å
278T97.6Very high85.4Confident0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-117.9146.1170.869.80000110I245 S246 T247 L276 A284 V310 A313 L328I245-T278 WeakPolarHBondContact CG2-O 3.41Å; S246-T278 PolarHBondContact N-O 3.06Å; S246-T278 PolarHBondContact OG-O 2.88Å; S246-T278 PolarHBondContact OG-OG1 2.75Å; T247-T278 WeakPolarHBondContact CB-OG1 3.29Å; T247-T278 PolarHBondContact N-O 3.15Å; T247-T278 PolarHBondContact N-OG1 2.78Å; T247-T278 VanDerWaalsContact N-OG1 3.08Å; T247-T278 PolarHBondContact O-N 3.3Å; T247-T278 PolarHBondContact OG1-OG1 2.74Å; L276-T278 HydrophobicContact CD1-CG2 4.44Å; L276-T278 HydrophobicContact CG-CG2 4.32Å; T278-A284 HydrophobicContact CG2-CB 4.06Å; T278-V310 HydrophobicContact CG2-CG1 3.72Å; T278-A313 HydrophobicContact CG2-CB 4.11Å; T278-L328 HydrophobicContact CG2-CD2 3.76Å
279S95.1Very high87.8Confident1 Ų137.9 Ų37.91%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-124.2163.4174.9-167.30000110.9S243 P244 I281S243-S279 WeakPolarHBondContact CB-OG 3.38Å; S243-S279 PolarHBondContact O-OG 3.48Å; S243-S279 WeakPolarHBondContact OG-CB 3.21Å; S243-S279 PolarHBondContact OG-OG 2.9Å; P244-S279 PolarHBondContact O-OG 3.44Å; S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 3.3Å
280T92.7Very high90.3Very high43 Ų4330.1 Ų30.126%0.26416%0.164SC..SBendtrans-71.6-19176.849.20000114.4P244 A309P244-T280 WeakPolarHBondContact CD-OG1 3.5Å; P244-T280 PolarHBondContact O-N 3.41Å; P244-T280 VanDerWaalsContact O-N 3.09Å; P244-T280 PolarHBondContact O-OG1 2.95Å; P244-T280 VanDerWaalsContact O-OG1 3.05Å; T280-A309 VanDerWaalsContact O-CA 3.28Å; T280-A309 WeakPolarHBondContact O-CA 3.44Å; T280-A309 WeakPolarHBondContact O-CB 3.45Å
281I92.4Very high92.2Very high127 Ų12724.5 Ų24.565%0.65113%0.133SC*.SBendtrans-129.5-45.2-178.7-53.8178.2000110.8S279S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 3.3Å
282E93.8Very high93.6Very high54 Ų5431.6 Ų31.625%0.25216%0.159SC..SBendtrans-76.6157.7-175.5-72.3163.793.200113.4F241 D242 S243F241-E282 WeakPolarHBondContact CB-OE2 3.46Å; F241-E282 HydrophobicContact CD1-CB 4.32Å; D242-E282 WeakPolarHBondContact CA-OE2 3.26Å; D242-E282 PolarHBondContact N-OE1 3.25Å; D242-E282 PolarHBondContact N-OE2 2.93Å; S243-E282 PolarHBondContact N-OE2 3.02Å; S243-E282 WeakPolarHBondContact OG-CG 3.27Å; S243-E282 PolarHBondContact OG-N 3.03Å; S243-E282 PolarHBondContact OG-OE2 2.91Å
283M94.5Very high93.9Very high58 Ų5832.7 Ų32.729%0.28616%0.163SC..PPolyproline II helixtrans-58.7140.5172.2-176.9172.844.100111C300 L301 S304 D305M283-C300 HydrophobicContact CE-CB 3.27Å; M283-C300 HydrophobicContact CG-CB 4.23Å; M283-C300 HydrophobicContact SD-CB 3.63Å; M283-L301 VanDerWaalsContact CG-O 3.23Å; M283-L301 WeakPolarHBondContact CG-O 3.47Å; M283-S304 WeakPolarHBondContact CA-OG 3.3Å; M283-S304 WeakPolarHBondContact CG-OG 3.45Å; M283-D305 HydrophobicContact CB-CB 4.42Å
284A97.3Very high94Very high0 Ų030.3 Ų30.30%015%0.154CC..PPolyproline II helixtrans-68145.4177.200000110.6I277 T278 L301 S304 L328I277-A284 WeakPolarHBondContact O-CA 3.13Å; T278-A284 HydrophobicContact CG2-CB 4.06Å; A284-L301 HydrophobicContact CB-CB 4.17Å; A284-L301 HydrophobicContact CB-CD2 4.2Å; A284-L301 PolarHBondContact O-N 3.49Å; A284-S304 PolarHBondContact N-OG 2.81Å; A284-L328 HydrophobicContact CB-CD1 3.87Å
285V96.8Very high94Very high12 Ų1231.3 Ų31.37%0.07316%0.159CC..EExtended strand (participates in β ladder)trans-133.3135.2-174.1-175.90000109.8F241 I277 Y287F241-V285 HydrophobicContact CE1-CG2 4.1Å; F241-V285 HydrophobicContact CZ-CB 4.3Å; F241-V285 HydrophobicContact CZ-CG2 4.05Å; I277-V285 PolarHBondContact N-O 2.67Å; I277-V285 PolarHBondContact O-N 3.43Å; V285-Y287 HydrophobicContact CB-CE2 4.22Å; V285-Y287 HydrophobicContact CG1-CD2 4.13Å; V285-Y287 HydrophobicContact CG1-CE2 3.67Å
286V96.6Very high93.8Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-106.5121.6170.1174.60000109.1F251 N274 L275 L276 R288 S298 T299 L301 F351F251-V286 HydrophobicContact CE1-CG1 4.43Å; F251-V286 HydrophobicContact CZ-CG1 4.01Å; F251-V286 HydrophobicContact CZ-CG2 4.41Å; N274-V286 HydrophobicContact CB-CG1 4.19Å; L275-V286 CarbonylContact O-C 3.6Å; L275-V286 WeakPolarHBondContact O-CA 3.28Å; L276-V286 HydrophobicContact CB-CG2 4.28Å; L276-V286 HydrophobicContact CD1-CG2 3.59Å; V286-R288 HydrophobicContact CG1-CG 4.2Å; V286-S298 CarbonylContact O-C 3.52Å; V286-S298 WeakPolarHBondContact O-CA 3.44Å; V286-T299 PolarHBondContact N-O 3.32Å; V286-T299 PolarHBondContact O-N 2.95Å; V286-L301 HydrophobicContact CB-CD1 4.35Å; V286-L301 HydrophobicContact CG2-CD1 3.64Å; V286-F351 HydrophobicContact CB-CD2 4.35Å; V286-F351 HydrophobicContact CB-CE2 3.79Å; V286-F351 HydrophobicContact CB-CZ 4.35Å; V286-F351 HydrophobicContact CG1-CE2 3.78Å; V286-F351 HydrophobicContact CG1-CZ 4.08Å; V286-F351 HydrophobicContact CG2-CD2 4.35Å; V286-F351 HydrophobicContact CG2-CE2 3.91Å; V286-F351 HydrophobicContact CG2-CZ 4.13Å
287Y95.2Very high93.5Very high16 Ų1640.1 Ų40.16%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-90.8129.7167.5-66.4-95.4000109.1N274 L275 I277 V285 V290 L295 R297N274-Y287 CarbonylContact C-O 3.46Å; N274-Y287 WeakPolarHBondContact CA-O 3.39Å; N274-Y287 WeakPolarHBondContact CB-O 3.33Å; L275-Y287 PolarHBondContact N-O 2.79Å; L275-Y287 PolarHBondContact O-N 3.43Å; I277-Y287 HydrophobicContact CD1-CD2 3.69Å; I277-Y287 HydrophobicContact CD1-CE2 3.43Å; I277-Y287 VanDerWaalsContact CD1-CE2 3.43Å; I277-Y287 HydrophobicContact CG1-CD2 4.11Å; I277-Y287 HydrophobicContact CG1-CE2 4.15Å; V285-Y287 HydrophobicContact CB-CE2 4.22Å; V285-Y287 HydrophobicContact CG1-CD2 4.13Å; V285-Y287 HydrophobicContact CG1-CE2 3.67Å; Y287-V290 WeakPolarHBondContact O-CG1 3.26Å; Y287-L295 HydrophobicContact CD1-CB 3.89Å; Y287-L295 HydrophobicContact CD1-CD2 4Å; Y287-L295 WeakPolarHBondContact CD1-O 3.5Å; Y287-L295 HydrophobicContact CD2-CD2 4.24Å; Y287-L295 HydrophobicContact CE1-CB 3.88Å; Y287-L295 HydrophobicContact CE1-CD2 4.43Å; Y287-L295 WeakPolarHBondContact CE1-O 3.2Å; Y287-L295 HydrophobicContact CG-CD2 3.86Å; Y287-R297 CarbonylContact C-O 3.57Å; Y287-R297 WeakPolarHBondContact CA-O 3.35Å
288R91.8Very high93.3Very high9 Ų943 Ų433%0.03423%0.228CC..  trans-103.4147.4-174.3-64.5-176-63.5-173.20.3112.6N274 V286 V290 R297 D348 G349N274-R288 WeakPolarHBondContact OD1-CA 3.41Å; N274-R288 WeakPolarHBondContact OD1-CB 3.39Å; V286-R288 HydrophobicContact CG1-CG 4.2Å; R288-V290 VanDerWaalsContact C-N 3.29Å; R288-V290 PolarHBondContact O-N 3.25Å; R288-R297 HydrophobicContact CB-CG 4.3Å; R288-R297 PolarHBondContact N-O 2.77Å; R288-D348 IonicContact CZ-OD1 3.9Å; R288-D348 IonicContact NH2-OD1 3.5Å; R288-D348 PolarHBondContact NH2-OD1 2.92Å; R288-D348 IonicContact NH2-OD2 2.72Å; R288-G349 PolarHBondContact NH1-O 2.97Å
289D89.3Confident93.1Very high44 Ų4444 Ų4424%0.23523%0.234CC..SBendtrans49.249.3177.8-54.1-51.7000112.6Y273 N274 Q291 E292 C293 R297Y273-D289 CarbonylContact O-C 3.53Å; Y273-D289 VanDerWaalsContact O-CA 3.29Å; Y273-D289 WeakPolarHBondContact O-CA 3.48Å; Y273-D289 PolarHBondContact O-N 3.01Å; N274-D289 PolarHBondContact OD1-N 2.88Å; D289-Q291 PolarHBondContact O-N 3.11Å; D289-E292 PolarHBondContact O-N 3.11Å; D289-C293 WeakPolarHBondContact O-CB 3.48Å; D289-C293 PolarHBondContact O-N 3.23Å; D289-R297 IonicContact OD2-CZ 3.52Å; D289-R297 IonicContact OD2-NH1 2.78Å; D289-R297 PolarHBondContact OD2-NH1 2.75Å
290V93.5Very high93.1Very high0 Ų046.4 Ų46.40%025%0.25CS..Hα-helixtrans-65.8-15.5-167.7-55.30000113.8L211 L223 L250 Y273 L275 Y287 R288 G294L211-V290 HydrophobicContact CD1-CG2 4.05Å; L223-V290 HydrophobicContact CD2-CB 3.63Å; L223-V290 HydrophobicContact CD2-CG1 4.38Å; L223-V290 HydrophobicContact CD2-CG2 3.91Å; L250-V290 HydrophobicContact CD2-CG2 4.36Å; Y273-V290 WeakPolarHBondContact O-CG2 3.38Å; Y273-V290 PolarHBondContact O-N 3.06Å; L275-V290 HydrophobicContact CB-CG1 3.85Å; Y287-V290 WeakPolarHBondContact O-CG1 3.26Å; R288-V290 VanDerWaalsContact C-N 3.29Å; R288-V290 PolarHBondContact O-N 3.25Å; V290-G294 WeakPolarHBondContact CA-O 3.31Å; V290-G294 VanDerWaalsContact O-CA 3.25Å; V290-G294 WeakPolarHBondContact O-CA 3.42Å; V290-G294 PolarHBondContact O-N 3.08Å
291Q89.3Confident93.2Very high51 Ų5144.3 Ų44.324%0.23824%0.238CC..Hα-helixtrans-69.4-35.6172.9-66.7-178.1-4.200112.6V205 L211 D289V205-Q291 VanDerWaalsContact CG2-NE2 3.26Å; L211-Q291 HydrophobicContact CD1-CG 3.73Å; L211-Q291 HydrophobicContact CD2-CG 4.33Å; L211-Q291 HydrophobicContact CG-CG 4.37Å; D289-Q291 PolarHBondContact O-N 3.11Å
292E87.5Confident93.3Very high174 Ų17442.4 Ų42.481%0.81324%0.235SC*.Hα-helixtrans-103.1-42.8-176.7-60.7-171.7168.500111.3D289D289-E292 PolarHBondContact O-N 3.11Å
293C90.4Very high93.2Very high44 Ų4440.4 Ų40.430%0.29723%0.23SC..Hα-helixtrans-94.5-9.2-174.3-650000113.5D289 L295 S296 R297D289-C293 WeakPolarHBondContact O-CB 3.48Å; D289-C293 PolarHBondContact O-N 3.23Å; C293-L295 PolarHBondContact O-N 3.34Å; C293-S296 VanDerWaalsContact O-CB 3.26Å; C293-S296 WeakPolarHBondContact O-CB 3.31Å; C293-S296 PolarHBondContact O-N 3.01Å; C293-S296 VanDerWaalsContact O-N 3.1Å; C293-S296 PolarHBondContact O-OG 2.56Å; C293-R297 HydrophobicContact CB-CB 4.14Å
294G92.6Very high93.2Very high0 Ų037.7 Ų37.70%022%0.216CC..THydrogen-bonded Turntrans55.7-126.1-172.200000111.5W237 V290W237-G294 VanDerWaalsContact CE2-CA 3.43Å; V290-G294 WeakPolarHBondContact CA-O 3.31Å; V290-G294 VanDerWaalsContact O-CA 3.25Å; V290-G294 WeakPolarHBondContact O-CA 3.42Å; V290-G294 PolarHBondContact O-N 3.08Å
295L94.6Very high93Very high25 Ų2541.5 Ų41.513%0.13124%0.237CC..THydrogen-bonded Turntrans-103.230.6177.5-57.8177.4000112.8L223 W237 V239 L275 Y287 C293L223-L295 HydrophobicContact CB-CD1 4.38Å; L223-L295 HydrophobicContact CB-CD2 4.28Å; L223-L295 HydrophobicContact CB-CG 4.42Å; L223-L295 HydrophobicContact CD2-CD2 3.98Å; L223-L295 HydrophobicContact CD2-CG 4.39Å; W237-L295 HydrophobicContact CB-CB 4.42Å; W237-L295 HydrophobicContact CB-CD1 3.74Å; W237-L295 HydrophobicContact CB-CG 3.78Å; V239-L295 HydrophobicContact CB-CD1 4.15Å; V239-L295 HydrophobicContact CG1-CD1 3.86Å; L275-L295 HydrophobicContact CD2-CD2 3.72Å; Y287-L295 HydrophobicContact CD1-CB 3.89Å; Y287-L295 HydrophobicContact CD1-CD2 4Å; Y287-L295 WeakPolarHBondContact CD1-O 3.5Å; Y287-L295 HydrophobicContact CD2-CD2 4.24Å; Y287-L295 HydrophobicContact CE1-CB 3.88Å; Y287-L295 HydrophobicContact CE1-CD2 4.43Å; Y287-L295 WeakPolarHBondContact CE1-O 3.2Å; Y287-L295 HydrophobicContact CG-CD2 3.86Å; C293-L295 PolarHBondContact O-N 3.34Å
296S93.2Very high92.8Very high102 Ų10247.5 Ų47.571%0.71326%0.264SS*.SBendtrans-94-31.4-175.6-460000113.6C293C293-S296 VanDerWaalsContact O-CB 3.26Å; C293-S296 WeakPolarHBondContact O-CB 3.31Å; C293-S296 PolarHBondContact O-N 3.01Å; C293-S296 VanDerWaalsContact O-N 3.1Å; C293-S296 PolarHBondContact O-OG 2.56Å
297R92.3Very high92.6Very high83 Ų8351.1 Ų51.131%0.31328%0.278SS..SBendtrans-104.591-174.1-171.8-178.4-177.4-157.91.2110Y287 R288 D289 C293 D348Y287-R297 CarbonylContact C-O 3.57Å; Y287-R297 WeakPolarHBondContact CA-O 3.35Å; R288-R297 HydrophobicContact CB-CG 4.3Å; R288-R297 PolarHBondContact N-O 2.77Å; D289-R297 IonicContact OD2-CZ 3.52Å; D289-R297 IonicContact OD2-NH1 2.78Å; D289-R297 PolarHBondContact OD2-NH1 2.75Å; C293-R297 HydrophobicContact CB-CB 4.14Å; R297-D348 IonicContact CZ-OD1 3.74Å; R297-D348 IonicContact NE-OD1 2.74Å; R297-D348 PolarHBondContact NE-OD1 2.83Å; R297-D348 IonicContact NH2-OD1 3.64Å; R297-D348 PolarHBondContact NH2-OD1 3.46Å
298S92.9Very high92.6Very high61 Ų6155 Ų5543%0.42730%0.299SS..EExtended strand (participates in β ladder)trans-107.3157.2-177.562.90000113.5V286V286-S298 CarbonylContact O-C 3.52Å; V286-S298 WeakPolarHBondContact O-CA 3.44Å
299T93.4Very high92.8Very high20 Ų2055.2 Ų55.212%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-145.4126.9173.4-56.20000108.8V286 F351V286-T299 PolarHBondContact N-O 3.32Å; V286-T299 PolarHBondContact O-N 2.95Å; T299-F351 HydrophobicContact CG2-CD2 4.22Å
300C94.3Very high93.2Very high51 Ų5153.2 Ų53.235%0.34529%0.292SS..EExtended strand (participates in β ladder)trans-86.8145.4-177.5-56.70000112.1M283 S302M283-C300 HydrophobicContact CE-CB 3.27Å; M283-C300 HydrophobicContact CG-CB 4.23Å; M283-C300 HydrophobicContact SD-CB 3.63Å; C300-S302 PolarHBondContact O-N 2.93Å
301L95.9Very high93.3Very high0 Ų054.4 Ų54.40%030%0.299CS..  trans-89.387.1174.9-82.362.1000108.6L276 M283 A284 V286 G303 S304 V326 L328 Y338 F351L276-L301 HydrophobicContact CD1-CD2 4.21Å; M283-L301 VanDerWaalsContact CG-O 3.23Å; M283-L301 WeakPolarHBondContact CG-O 3.47Å; A284-L301 HydrophobicContact CB-CB 4.17Å; A284-L301 HydrophobicContact CB-CD2 4.2Å; A284-L301 PolarHBondContact O-N 3.49Å; V286-L301 HydrophobicContact CB-CD1 4.35Å; V286-L301 HydrophobicContact CG2-CD1 3.64Å; L301-G303 PolarHBondContact O-N 3.3Å; L301-S304 WeakPolarHBondContact O-CB 3.42Å; L301-S304 PolarHBondContact O-N 3.09Å; L301-S304 VanDerWaalsContact O-N 3.13Å; L301-S304 PolarHBondContact O-OG 3.07Å; L301-V326 HydrophobicContact CD2-CB 4.31Å; L301-V326 HydrophobicContact CD2-CG1 3.81Å; L301-L328 HydrophobicContact CD2-CD1 3.94Å; L301-L328 HydrophobicContact CD2-CG 4.48Å; L301-Y338 HydrophobicContact CB-CD1 4.14Å; L301-Y338 HydrophobicContact CB-CE1 3.98Å; L301-Y338 HydrophobicContact CB-CG 4.5Å; L301-Y338 HydrophobicContact CD2-CD1 4.4Å; L301-Y338 HydrophobicContact CD2-CD2 3.88Å; L301-Y338 HydrophobicContact CD2-CE2 4.3Å; L301-Y338 HydrophobicContact CD2-CG 3.95Å; L301-Y338 HydrophobicContact CG-CD1 4.08Å; L301-Y338 HydrophobicContact CG-CD2 4.43Å; L301-Y338 HydrophobicContact CG-CE1 4.43Å; L301-Y338 HydrophobicContact CG-CG 4.1Å; L301-F351 HydrophobicContact CD1-CB 4.07Å; L301-F351 HydrophobicContact CD1-CD2 4.16Å; L301-F351 HydrophobicContact CD1-CG 4.12Å; L301-F351 HydrophobicContact CG-CB 4.05Å; L301-F351 HydrophobicContact CG-CG 4.46Å
302S93.3Very high93.7Very high86 Ų8652.2 Ų52.260%0.60129%0.289SS*.THydrogen-bonded Turntrans-53.1123.8-174.1-65.80000112.4C300C300-S302 PolarHBondContact O-N 2.93Å
303G92Very high94.2Very high13 Ų1344.5 Ų44.513%0.13426%0.255CS..THydrogen-bonded Turntrans86.96.1177.100000115.4L301 D305 Q306L301-G303 PolarHBondContact O-N 3.3Å; G303-D305 PolarHBondContact O-N 3.29Å; G303-Q306 WeakPolarHBondContact O-CB 3.24Å; G303-Q306 PolarHBondContact O-N 3.41Å
304S94.8Very high94.5Very high0 Ų044 Ų440%025%0.249CC..G310 helixtrans-66.8-25.9175.770.20000113.4M283 A284 L301 Q306 Y338M283-S304 WeakPolarHBondContact CA-OG 3.3Å; M283-S304 WeakPolarHBondContact CG-OG 3.45Å; A284-S304 PolarHBondContact N-OG 2.81Å; L301-S304 WeakPolarHBondContact O-CB 3.42Å; L301-S304 PolarHBondContact O-N 3.09Å; L301-S304 VanDerWaalsContact O-N 3.13Å; L301-S304 PolarHBondContact O-OG 3.07Å; S304-Q306 VanDerWaalsContact C-N 3.32Å; S304-Y338 WeakPolarHBondContact CA-OH 3.24Å; S304-Y338 PolarHBondContact N-OH 3.16Å
305D93.1Very high94.7Very high81 Ų8144.9 Ų44.943%0.43326%0.255SS..G310 helixtrans-83.2-3.917962-33.2000113.5M283 G303 W307M283-D305 HydrophobicContact CB-CB 4.42Å; G303-D305 PolarHBondContact O-N 3.29Å; D305-W307 VanDerWaalsContact C-N 3.32Å; D305-W307 PolarHBondContact O-N 2.82Å
306Q94Very high94.6Very high137 Ų13744.5 Ų44.564%0.6425%0.253SS*.G310 helixtrans-80.8-11.7-177.8-64.2-179.712.400113.8G303 S304G303-Q306 WeakPolarHBondContact O-CB 3.24Å; G303-Q306 PolarHBondContact O-N 3.41Å; S304-Q306 VanDerWaalsContact C-N 3.32Å
307W92.4Very high94.5Very high77 Ų7741.7 Ų41.729%0.29223%0.23SC..G310 helixtrans-120.440.1-169.8-51.7102.9000112.3D305 T330 G332 E334 L336D305-W307 VanDerWaalsContact C-N 3.32Å; D305-W307 PolarHBondContact O-N 2.82Å; W307-T330 HydrophobicContact CB-CG2 4.22Å; W307-T330 VanDerWaalsContact O-CB 3.23Å; W307-T330 WeakPolarHBondContact O-CB 3.32Å; W307-T330 PolarHBondContact O-OG1 3.07Å; W307-G332 WeakPolarHBondContact O-CA 3.27Å; W307-G332 PolarHBondContact O-N 3.48Å; W307-E334 HydrophobicContact CB-CB 4.13Å; W307-E334 HydrophobicContact CB-CG 4.03Å; W307-E334 HydrophobicContact CD2-CG 3.99Å; W307-E334 HydrophobicContact CE3-CG 3.87Å; W307-E334 HydrophobicContact CG-CB 4.3Å; W307-E334 HydrophobicContact CG-CG 4.07Å; W307-L336 HydrophobicContact CG-CD1 4.49Å; W307-L336 HydrophobicContact CG-CD2 4.29Å
308D94.3Very high94.4Very high96 Ų9638 Ų3851%0.51322%0.216SC..SBendtrans66.3-168.7-175.1-148.2-29.7000112.2V310D308-V310 PolarHBondContact O-N 3.43Å
309A95.8Very high94.1Very high14 Ų1438.7 Ų38.712%0.11622%0.215CC..  trans-60.9132.4-177.300000113T280 L311 T330 Y331T280-A309 VanDerWaalsContact O-CA 3.28Å; T280-A309 WeakPolarHBondContact O-CA 3.44Å; T280-A309 WeakPolarHBondContact O-CB 3.45Å; A309-L311 HydrophobicContact CB-CD2 4.18Å; A309-T330 CarbonylContact O-C 3.57Å; A309-T330 VanDerWaalsContact O-CA 3.31Å; A309-T330 WeakPolarHBondContact O-CA 3.25Å; A309-Y331 PolarHBondContact O-N 2.88Å
310V97.3Very high93.8Very high2 Ų240.2 Ų40.21%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-77.3123.3168.6-176.70000108.6S246 T278 D308 L328 T330S246-V310 WeakPolarHBondContact CB-O 3.41Å; S246-V310 PolarHBondContact OG-O 2.85Å; T278-V310 HydrophobicContact CG2-CG1 3.72Å; D308-V310 PolarHBondContact O-N 3.43Å; V310-L328 HydrophobicContact CG1-CB 4.11Å; V310-L328 HydrophobicContact CG1-CD2 4.23Å; V310-L328 HydrophobicContact CG2-CD1 4.49Å; V310-T330 HydrophobicContact CG2-CG2 4.33Å
311L96.6Very high93.4Very high25 Ų2541.1 Ų41.113%0.13122%0.222CC..EExtended strand (participates in β ladder)trans-109.9-31.4-173.7-61.8-174.6000113.9I25 A309 G329 Y331 L363 L364I25-L311 HydrophobicContact CG2-CB 4.28Å; A309-L311 HydrophobicContact CB-CD2 4.18Å; L311-G329 PolarHBondContact N-O 3Å; L311-Y331 HydrophobicContact CD1-CD2 3.89Å; L311-Y331 HydrophobicContact CD1-CG 4.39Å; L311-L363 WeakPolarHBondContact CB-O 3.37Å; L311-L363 WeakPolarHBondContact CD1-O 3.45Å; L311-L364 HydrophobicContact CD1-CD2 4.01Å
312C97.1Very high92.9Very high5 Ų542.7 Ų42.73%0.03424%0.238CC..EExtended strand (participates in β ladder)trans-143.5155-179.853.30000110.3G329 L364C312-G329 PolarHBondContact N-O 2.87Å; C312-G329 PolarHBondContact O-N 2.82Å; C312-L364 WeakPolarHBondContact CB-O 3.35Å
313A97.8Very high92.6Very high13 Ų1340.6 Ų40.611%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-140.4156.9177.100000110.3L249 L276 T278 L327 L328L249-A313 HydrophobicContact CD1-CB 3.67Å; L249-A313 WeakPolarHBondContact CD1-O 3.16Å; L276-A313 HydrophobicContact CD2-CB 3.71Å; T278-A313 HydrophobicContact CG2-CB 4.11Å; A313-L327 CarbonylContact C-O 3.6Å; A313-L327 WeakPolarHBondContact CA-O 3.47Å; A313-L328 HydrophobicContact CB-CD2 3.76Å
314L97.1Very high92.5Very high33 Ų3342.9 Ų42.917%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-150.8140.5175.2179.963.8000109.4I316 L327 V366 L379L314-I316 HydrophobicContact CD1-CG2 4.06Å; L314-I316 HydrophobicContact CD2-CD1 3.74Å; L314-I316 HydrophobicContact CD2-CG1 4.26Å; L314-I316 HydrophobicContact CD2-CG2 4.15Å; L314-I316 HydrophobicContact CG-CD1 4.25Å; L314-I316 HydrophobicContact CG-CG1 4.21Å; L314-I316 HydrophobicContact CG-CG2 3.88Å; L314-L327 HydrophobicContact CB-CB 4.29Å; L314-L327 PolarHBondContact N-O 2.97Å; L314-L327 PolarHBondContact O-N 2.87Å; L314-V366 HydrophobicContact CB-CG1 4.41Å; L314-V366 HydrophobicContact CD2-CG1 3.87Å; L314-L379 HydrophobicContact CD2-CD1 3.82Å
315V96Very high92.5Very high19 Ų1943.1 Ų43.112%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-121.6109.2-179.8-172.60000111.1L249 F251 L276 K324 E325 V326L249-V315 HydrophobicContact CD1-CG2 4.45Å; F251-V315 HydrophobicContact CB-CB 4.24Å; F251-V315 HydrophobicContact CB-CG1 4.18Å; F251-V315 HydrophobicContact CD1-CB 4.45Å; F251-V315 HydrophobicContact CD1-CG1 4.38Å; F251-V315 HydrophobicContact CD1-CG2 3.98Å; F251-V315 HydrophobicContact CD2-CB 4.16Å; F251-V315 HydrophobicContact CD2-CG1 3.32Å; F251-V315 HydrophobicContact CD2-CG2 4.4Å; F251-V315 HydrophobicContact CE1-CG2 4.2Å; F251-V315 HydrophobicContact CE2-CG1 3.59Å; F251-V315 HydrophobicContact CG-CB 4.04Å; F251-V315 HydrophobicContact CG-CG1 3.72Å; F251-V315 HydrophobicContact CG-CG2 4.09Å; F251-V315 HydrophobicContact CZ-CG1 4.3Å; F251-V315 HydrophobicContact CZ-CG2 4.44Å; L276-V315 HydrophobicContact CD2-CG2 4.03Å; V315-K324 HydrophobicContact CG1-CB 3.69Å; V315-K324 HydrophobicContact CG1-CD 4.1Å; V315-E325 CarbonylContact C-O 3.48Å; V315-E325 WeakPolarHBondContact CA-O 3.32Å; V315-V326 HydrophobicContact CG1-CG2 4.39Å; V315-V326 HydrophobicContact CG2-CG2 4.15Å
316I93Very high92.7Very high17 Ų1739.2 Ų39.29%0.08721%0.205CC..EExtended strand (participates in β ladder)trans-148.5151.3-16950.8171.3000111L314 L318 K324 E325 L327 Y368 L379L314-I316 HydrophobicContact CD1-CG2 4.06Å; L314-I316 HydrophobicContact CD2-CD1 3.74Å; L314-I316 HydrophobicContact CD2-CG1 4.26Å; L314-I316 HydrophobicContact CD2-CG2 4.15Å; L314-I316 HydrophobicContact CG-CD1 4.25Å; L314-I316 HydrophobicContact CG-CG1 4.21Å; L314-I316 HydrophobicContact CG-CG2 3.88Å; I316-L318 HydrophobicContact CD1-CD2 3.33Å; I316-L318 HydrophobicContact CD1-CG 3.95Å; I316-L318 HydrophobicContact CG1-CD2 3.87Å; I316-L318 HydrophobicContact CG1-CG 3.92Å; I316-L318 PolarHBondContact O-N 3.16Å; I316-K324 CarbonylContact O-C 3.56Å; I316-E325 PolarHBondContact N-O 3.05Å; I316-E325 PolarHBondContact O-N 2.91Å; I316-L327 HydrophobicContact CD1-CD1 3.85Å; I316-L327 HydrophobicContact CG1-CD1 4.25Å; I316-Y368 HydrophobicContact CB-CD1 4.09Å; I316-Y368 HydrophobicContact CB-CE1 4.4Å; I316-Y368 HydrophobicContact CD1-CD1 3.73Å; I316-Y368 HydrophobicContact CD1-CD2 3.97Å; I316-Y368 HydrophobicContact CD1-CE1 4.13Å; I316-Y368 HydrophobicContact CD1-CE2 4.38Å; I316-Y368 HydrophobicContact CD1-CG 3.61Å; I316-Y368 HydrophobicContact CG2-CD1 3.74Å; I316-Y368 HydrophobicContact CG2-CE1 4.48Å; I316-Y368 HydrophobicContact CG2-CG 4.32Å; I316-L379 HydrophobicContact CD1-CD1 4.2Å
317D91.7Very high92.8Very high42 Ų4232.8 Ų32.823%0.22518%0.175CC..  trans-84.2108170.9175.17.6000108.9F320 D321 G322 Q323 K324D317-F320 WeakPolarHBondContact OD1-CA 3.48Å; D317-F320 PolarHBondContact OD1-N 3.19Å; D317-F320 VanDerWaalsContact OD2-C 3.28Å; D317-F320 WeakPolarHBondContact OD2-CA 3.45Å; D317-D321 PolarHBondContact OD1-N 2.86Å; D317-D321 VanDerWaalsContact OD1-N 3.14Å; D317-G322 WeakPolarHBondContact OD2-CA 3.12Å; D317-G322 PolarHBondContact OD2-N 3.09Å; D317-Q323 WeakPolarHBondContact CB-O 3.33Å; D317-K324 HydrophobicContact CB-CG 4.41Å
318L88.9Confident93.1Very high5 Ų529.1 Ų29.13%0.02616%0.161CC..SBendtrans-95.7-32.6-172.9-73.5177.5000113.7F11 I316 E325 L327 W355 H392F11-L318 HydrophobicContact CE2-CD1 4.32Å; F11-L318 HydrophobicContact CE2-CD2 3.46Å; F11-L318 VanDerWaalsContact CE2-CD2 3.46Å; F11-L318 HydrophobicContact CE2-CG 4.48Å; F11-L318 HydrophobicContact CZ-CD2 3.38Å; I316-L318 HydrophobicContact CD1-CD2 3.33Å; I316-L318 HydrophobicContact CD1-CG 3.95Å; I316-L318 HydrophobicContact CG1-CD2 3.87Å; I316-L318 HydrophobicContact CG1-CG 3.92Å; I316-L318 PolarHBondContact O-N 3.16Å; L318-E325 WeakPolarHBondContact CB-OE2 3.24Å; L318-E325 HydrophobicContact CD1-CB 4.2Å; L318-E325 PolarHBondContact N-OE2 2.88Å; L318-L327 HydrophobicContact CD1-CD1 4.03Å; L318-L327 HydrophobicContact CD1-CD2 3.71Å; L318-L327 HydrophobicContact CD1-CG 3.98Å; L318-W355 HydrophobicContact CD1-CZ2 3.93Å; L318-H392 PolarHBondContact O-CE1 3.28Å; L318-H392 VanDerWaalsContact O-CE1 3.25Å
319D87.4Confident93.3Very high77 Ų7724.5 Ų24.541%0.41214%0.136SC..SBendtrans-98.16.2177.864.313.2000112.7D321 K339D319-D321 PolarHBondContact O-N 2.94Å; D319-D321 WeakPolarHBondContact OD1-CB 3.37Å; D319-D321 PolarHBondContact OD1-N 3.38Å; D319-K339 IonicContact OD1-NZ 2.79Å; D319-K339 PolarHBondContact OD1-NZ 3.19Å; D319-K339 IonicContact OD2-NZ 3.53Å; D319-K339 PolarHBondContact OD2-NZ 2.9Å
320F87.3Confident93.4Very high52 Ų5223.9 Ų23.923%0.22813%0.131CC..SBendtrans64.117.1176.5-49.9-82.7000113.2D317 G322 L376 H392 L400 R404D317-F320 WeakPolarHBondContact OD1-CA 3.48Å; D317-F320 PolarHBondContact OD1-N 3.19Å; D317-F320 VanDerWaalsContact OD2-C 3.28Å; D317-F320 WeakPolarHBondContact OD2-CA 3.45Å; F320-G322 PolarHBondContact O-N 3.1Å; F320-L376 HydrophobicContact CZ-CD2 4.47Å; F320-H392 AromaticContact CE2-CE1 3.94Å; F320-H392 AromaticContact CZ-CD2 3.8Å; F320-H392 AromaticContact CZ-CE1 3.84Å; F320-H392 AromaticContact CZ-NE2 3.59Å; F320-L400 HydrophobicContact CB-CD2 4.1Å; F320-L400 HydrophobicContact CD2-CD2 3.72Å; F320-L400 HydrophobicContact CG-CD2 4.26Å; F320-R404 PolarHBondContact O-NH1 3.13Å; F320-R404 PolarHBondContact O-NH2 3.38Å
321D85.8Confident93.4Very high70 Ų7029.2 Ų29.237%0.37415%0.152SC..SBendtrans-80.7-1.5-176.282.7-8.4000113.9D317 D319 Q323 K339D317-D321 PolarHBondContact OD1-N 2.86Å; D317-D321 VanDerWaalsContact OD1-N 3.14Å; D319-D321 PolarHBondContact O-N 2.94Å; D319-D321 WeakPolarHBondContact OD1-CB 3.37Å; D319-D321 PolarHBondContact OD1-N 3.38Å; D321-Q323 VanDerWaalsContact C-N 3.35Å; D321-Q323 WeakPolarHBondContact OD1-CA 3.42Å; D321-Q323 VanDerWaalsContact OD1-CB 3.29Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.35Å; D321-Q323 PolarHBondContact OD1-N 3.38Å; D321-K339 IonicContact OD1-NZ 3.88Å; D321-K339 PolarHBondContact OD1-NZ 3Å; D321-K339 VanDerWaalsContact OD1-NZ 3.1Å; D321-K339 VanDerWaalsContact OD2-CE 3.26Å; D321-K339 WeakPolarHBondContact OD2-CE 3.32Å; D321-K339 IonicContact OD2-NZ 3.88Å; D321-K339 PolarHBondContact OD2-NZ 2.99Å
322G84.9Confident93.4Very high33 Ų3329.3 Ų29.334%0.3416%0.159SC..SBendtrans87.9-3.5-179.100000113.9S254 D317 F320S254-G322 PolarHBondContact OG-O 3.33Å; D317-G322 WeakPolarHBondContact OD2-CA 3.12Å; D317-G322 PolarHBondContact OD2-N 3.09Å; F320-G322 PolarHBondContact O-N 3.1Å
323Q87Confident93.4Very high42 Ų4232.6 Ų32.620%0.19617%0.174CC..PPolyproline II helixtrans-98.6138.3169.1-58.1-171.88.900109.5D317 D321D317-Q323 WeakPolarHBondContact CB-O 3.33Å; D321-Q323 VanDerWaalsContact C-N 3.35Å; D321-Q323 WeakPolarHBondContact OD1-CA 3.42Å; D321-Q323 VanDerWaalsContact OD1-CB 3.29Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.35Å; D321-Q323 PolarHBondContact OD1-N 3.38Å
324K90.9Very high93.4Very high60 Ų6032.8 Ų32.826%0.26117%0.172SC..PPolyproline II helixtrans-88.6132.6-179.8-60.6-176.1-178-179.50111.1V315 I316 D317V315-K324 HydrophobicContact CG1-CB 3.69Å; V315-K324 HydrophobicContact CG1-CD 4.1Å; I316-K324 CarbonylContact O-C 3.56Å; D317-K324 HydrophobicContact CB-CG 4.41Å
325E94.1Very high93.5Very high5 Ų531.2 Ų31.22%0.02316%0.164CC..EExtended strand (participates in β ladder)trans-85.3150.5166.4-67.869.6-137.200111.6V315 I316 L318 Y338 K339V315-E325 CarbonylContact C-O 3.48Å; V315-E325 WeakPolarHBondContact CA-O 3.32Å; I316-E325 PolarHBondContact N-O 3.05Å; I316-E325 PolarHBondContact O-N 2.91Å; L318-E325 WeakPolarHBondContact CB-OE2 3.24Å; L318-E325 HydrophobicContact CD1-CB 4.2Å; L318-E325 PolarHBondContact N-OE2 2.88Å; E325-Y338 CarbonylContact C-O 3.52Å; E325-Y338 VanDerWaalsContact CA-O 3.26Å; E325-Y338 WeakPolarHBondContact CA-O 3.5Å; E325-Y338 WeakPolarHBondContact CB-O 3.45Å; E325-K339 HydrophobicContact CG-CB 4.05Å; E325-K339 HydrophobicContact CG-CD 4.4Å; E325-K339 HydrophobicContact CG-CG 4.16Å; E325-K339 VanDerWaalsContact OE1-CD 3.3Å; E325-K339 WeakPolarHBondContact OE1-CD 3.33Å; E325-K339 WeakPolarHBondContact OE1-CE 3.37Å; E325-K339 IonicContact OE1-NZ 2.66Å; E325-K339 PolarHBondContact OE1-NZ 2.98Å
326V96.7Very high93.5Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-98.7115.3171.3177.80000109F251 L276 L301 V315 L328 C337 Y338 F351F251-V326 HydrophobicContact CZ-CG2 4.45Å; L276-V326 HydrophobicContact CD1-CG1 4.08Å; L276-V326 HydrophobicContact CD2-CG1 3.46Å; L276-V326 VanDerWaalsContact CD2-CG1 3.46Å; L276-V326 HydrophobicContact CG-CG1 4.43Å; L301-V326 HydrophobicContact CD2-CB 4.31Å; L301-V326 HydrophobicContact CD2-CG1 3.81Å; V315-V326 HydrophobicContact CG1-CG2 4.39Å; V315-V326 HydrophobicContact CG2-CG2 4.15Å; V326-L328 HydrophobicContact CG1-CD2 3.78Å; V326-L328 HydrophobicContact CG1-CG 4.22Å; V326-C337 WeakPolarHBondContact O-CA 3.3Å; V326-Y338 PolarHBondContact N-O 2.75Å; V326-Y338 PolarHBondContact O-N 3.04Å; V326-F351 HydrophobicContact CG2-CD1 4.25Å; V326-F351 HydrophobicContact CG2-CE1 3.8Å
327L97.6Very high93.7Very high1 Ų129.6 Ų29.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-93.5132.5170.2-67-176.1000110.6A313 L314 I316 L318 L335 L336 C337 W355 L379A313-L327 CarbonylContact C-O 3.6Å; A313-L327 WeakPolarHBondContact CA-O 3.47Å; L314-L327 HydrophobicContact CB-CB 4.29Å; L314-L327 PolarHBondContact N-O 2.97Å; L314-L327 PolarHBondContact O-N 2.87Å; I316-L327 HydrophobicContact CD1-CD1 3.85Å; I316-L327 HydrophobicContact CG1-CD1 4.25Å; L318-L327 HydrophobicContact CD1-CD1 4.03Å; L318-L327 HydrophobicContact CD1-CD2 3.71Å; L318-L327 HydrophobicContact CD1-CG 3.98Å; L327-L335 HydrophobicContact CB-CD1 4.36Å; L327-L336 CarbonylContact C-O 3.49Å; L327-L336 VanDerWaalsContact CA-O 3.26Å; L327-L336 WeakPolarHBondContact CA-O 3.43Å; L327-C337 HydrophobicContact CD2-CB 3.55Å; L327-W355 HydrophobicContact CD2-CH2 3.64Å; L327-W355 HydrophobicContact CD2-CZ2 3.88Å; L327-L379 HydrophobicContact CD1-CD1 3.92Å; L327-L379 HydrophobicContact CD1-CD2 3.94Å
328L98.3Very high93.9Very high0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-122.6124.4173.8-54.9-176.8000110.2L276 T278 A284 L301 V310 A313 V326 L335 L336 Y338L276-L328 HydrophobicContact CD2-CD2 4.2Å; T278-L328 HydrophobicContact CG2-CD2 3.76Å; A284-L328 HydrophobicContact CB-CD1 3.87Å; L301-L328 HydrophobicContact CD2-CD1 3.94Å; L301-L328 HydrophobicContact CD2-CG 4.48Å; V310-L328 HydrophobicContact CG1-CB 4.11Å; V310-L328 HydrophobicContact CG1-CD2 4.23Å; V310-L328 HydrophobicContact CG2-CD1 4.49Å; A313-L328 HydrophobicContact CB-CD2 3.76Å; V326-L328 HydrophobicContact CG1-CD2 3.78Å; V326-L328 HydrophobicContact CG1-CG 4.22Å; L328-L335 CarbonylContact O-C 3.55Å; L328-L335 WeakPolarHBondContact O-CA 3.43Å; L328-L336 HydrophobicContact CB-CB 4.29Å; L328-L336 PolarHBondContact N-O 3.49Å; L328-L336 PolarHBondContact O-N 2.93Å; L328-Y338 HydrophobicContact CD1-CD2 4.28Å; L328-Y338 HydrophobicContact CD1-CE2 3.8Å; L328-Y338 HydrophobicContact CG-CD2 4.42Å; L328-Y338 HydrophobicContact CG-CE2 4.27Å
329G98.1Very high94.1Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-99.5132.9171.800000111.1L311 C312L311-G329 PolarHBondContact N-O 3Å; C312-G329 PolarHBondContact N-O 2.87Å; C312-G329 PolarHBondContact O-N 2.82Å
330T98.1Very high94.3Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-117.2155.8-17264.20000113.2W307 A309 V310 G332 Q333 E334 L336 L363W307-T330 HydrophobicContact CB-CG2 4.22Å; W307-T330 VanDerWaalsContact O-CB 3.23Å; W307-T330 WeakPolarHBondContact O-CB 3.32Å; W307-T330 PolarHBondContact O-OG1 3.07Å; A309-T330 CarbonylContact O-C 3.57Å; A309-T330 VanDerWaalsContact O-CA 3.31Å; A309-T330 WeakPolarHBondContact O-CA 3.25Å; V310-T330 HydrophobicContact CG2-CG2 4.33Å; T330-G332 PolarHBondContact O-N 3.44Å; T330-Q333 PolarHBondContact O-N 3.09Å; T330-E334 PolarHBondContact N-O 3.39Å; T330-E334 WeakPolarHBondContact OG1-CA 3.37Å; T330-E334 WeakPolarHBondContact OG1-CB 3.48Å; T330-E334 PolarHBondContact OG1-N 3.48Å; T330-E334 PolarHBondContact OG1-O 2.83Å; T330-L336 HydrophobicContact CG2-CD1 4.23Å; T330-L363 PolarHBondContact O-N 2.7Å; T330-L363 VanDerWaalsContact O-N 3.09Å
331Y97.3Very high94.3Very high114 Ų11426.4 Ų26.445%0.44714%0.136SC..THydrogen-bonded Turntrans-63.3-30.3169-168.2-94.6000111.3A309 L311 Q333 P362 L384A309-Y331 PolarHBondContact O-N 2.88Å; L311-Y331 HydrophobicContact CD1-CD2 3.89Å; L311-Y331 HydrophobicContact CD1-CG 4.39Å; Y331-Q333 PolarHBondContact O-N 2.95Å; Y331-P362 HydrophobicContact CD1-CG 4.39Å; Y331-P362 HydrophobicContact CD2-CB 3.69Å; Y331-P362 HydrophobicContact CD2-CG 3.97Å; Y331-P362 HydrophobicContact CE1-CG 4.28Å; Y331-P362 HydrophobicContact CE2-CB 3.99Å; Y331-P362 HydrophobicContact CE2-CG 3.89Å; Y331-P362 HydrophobicContact CG-CB 4.12Å; Y331-P362 HydrophobicContact CG-CG 4.25Å; Y331-P362 WeakPolarHBondContact O-CB 3.4Å; Y331-P362 VanDerWaalsContact O-CG 3.29Å; Y331-P362 WeakPolarHBondContact O-CG 3.48Å; Y331-L384 HydrophobicContact CE2-CD1 4.21Å
332G97.2Very high94.1Very high27 Ų2727.4 Ų27.428%0.27815%0.147SC..THydrogen-bonded Turntrans-67.89.8176.100000115.1W307 T330 E334W307-G332 WeakPolarHBondContact O-CA 3.27Å; W307-G332 PolarHBondContact O-N 3.48Å; T330-G332 PolarHBondContact O-N 3.44Å; G332-E334 VanDerWaalsContact C-N 3.3Å; G332-E334 PolarHBondContact O-N 3.32Å
333Q97.3Very high93.7Very high75 Ų7527.6 Ų27.635%0.3515%0.145SC..SBendtrans71.622.1175.3-38.2178.126.100113.4T330 Y331 S358 F359 P362 L363T330-Q333 PolarHBondContact O-N 3.09Å; Y331-Q333 PolarHBondContact O-N 2.95Å; Q333-S358 CarbonylContact O-C 3.53Å; Q333-S358 WeakPolarHBondContact O-CA 3.29Å; Q333-F359 PolarHBondContact O-N 3.35Å; Q333-F359 PolarHBondContact OE1-O 3.35Å; Q333-F359 VanDerWaalsContact OE1-O 3.12Å; Q333-P362 HydrophobicContact CG-CG 4.42Å; Q333-L363 VanDerWaalsContact C-CD1 3.45Å
334E97.3Very high92.9Very high17 Ų1728.5 Ų28.58%0.07917%0.165CC..EExtended strand (participates in β ladder)trans-112.4135.5179.8-58.2-67.5178.700111.1W307 T330 G332 L336 R356 S358W307-E334 HydrophobicContact CB-CB 4.13Å; W307-E334 HydrophobicContact CB-CG 4.03Å; W307-E334 HydrophobicContact CD2-CG 3.99Å; W307-E334 HydrophobicContact CE3-CG 3.87Å; W307-E334 HydrophobicContact CG-CB 4.3Å; W307-E334 HydrophobicContact CG-CG 4.07Å; T330-E334 PolarHBondContact N-O 3.39Å; T330-E334 WeakPolarHBondContact OG1-CA 3.37Å; T330-E334 WeakPolarHBondContact OG1-CB 3.48Å; T330-E334 PolarHBondContact OG1-N 3.48Å; T330-E334 PolarHBondContact OG1-O 2.83Å; G332-E334 VanDerWaalsContact C-N 3.3Å; G332-E334 PolarHBondContact O-N 3.32Å; E334-L336 HydrophobicContact CB-CD2 4.1Å; E334-R356 HydrophobicContact CB-CG 4.29Å; E334-R356 VanDerWaalsContact CD-NH1 3.32Å; E334-R356 HydrophobicContact CG-CG 4.42Å; E334-R356 IonicContact OE1-CZ 2.67Å; E334-R356 IonicContact OE1-NH1 2.97Å; E334-R356 PolarHBondContact OE1-NH1 3.32Å; E334-R356 WeakPolarHBondContact OE2-CD 3.35Å; E334-R356 WeakPolarHBondContact OE2-CG 3.49Å; E334-R356 IonicContact OE2-CZ 3.1Å; E334-R356 IonicContact OE2-NE 3.62Å; E334-R356 IonicContact OE2-NH1 2.71Å; E334-S358 VanDerWaalsContact CD-OG 3.22Å; E334-S358 PolarHBondContact OE1-OG 3.07Å; E334-S358 VanDerWaalsContact OE2-CA 3.25Å; E334-S358 WeakPolarHBondContact OE2-CA 3.49Å; E334-S358 WeakPolarHBondContact OE2-CB 3.49Å; E334-S358 PolarHBondContact OE2-N 2.9Å; E334-S358 PolarHBondContact OE2-OG 3.12Å
335L97.6Very high91.1Very high0 Ų032 Ų320%020%0.197CC..EExtended strand (participates in β ladder)trans-101.4115.7163.7-177.666.2000108.6L327 L328 W355 R356 R357 F359 L363 V366 L379L327-L335 HydrophobicContact CB-CD1 4.36Å; L328-L335 CarbonylContact O-C 3.55Å; L328-L335 WeakPolarHBondContact O-CA 3.43Å; L335-W355 HydrophobicContact CD2-CH2 3.99Å; L335-W355 HydrophobicContact CD2-CZ3 4Å; L335-W355 HydrophobicContact CG-CH2 4.29Å; L335-W355 HydrophobicContact CG-CZ3 4.05Å; L335-R356 CarbonylContact O-C 3.56Å; L335-R356 WeakPolarHBondContact O-CA 3.38Å; L335-R357 HydrophobicContact CB-CB 4.43Å; L335-R357 PolarHBondContact N-O 2.91Å; L335-R357 PolarHBondContact O-N 3.2Å; L335-F359 HydrophobicContact CB-CD2 4.43Å; L335-F359 HydrophobicContact CB-CE2 3.74Å; L335-F359 HydrophobicContact CD2-CE2 4.28Å; L335-F359 HydrophobicContact CD2-CZ 4.48Å; L335-L363 HydrophobicContact CB-CD2 3.7Å; L335-L363 HydrophobicContact CD1-CD2 4.11Å; L335-L363 HydrophobicContact CG-CD2 4.46Å; L335-V366 HydrophobicContact CD1-CG2 4.42Å; L335-L379 HydrophobicContact CD2-CD2 3.94Å
336L97.3Very high89.4Confident0 Ų035.8 Ų35.80%024%0.238CC..EExtended strand (participates in β ladder)trans-103.2140-178.2-49.9175.6000109.6W307 L327 L328 T330 E334 Y338 L353 R356W307-L336 HydrophobicContact CG-CD1 4.49Å; W307-L336 HydrophobicContact CG-CD2 4.29Å; L327-L336 CarbonylContact C-O 3.49Å; L327-L336 VanDerWaalsContact CA-O 3.26Å; L327-L336 WeakPolarHBondContact CA-O 3.43Å; L328-L336 HydrophobicContact CB-CB 4.29Å; L328-L336 PolarHBondContact N-O 3.49Å; L328-L336 PolarHBondContact O-N 2.93Å; T330-L336 HydrophobicContact CG2-CD1 4.23Å; E334-L336 HydrophobicContact CB-CD2 4.1Å; L336-Y338 HydrophobicContact CB-CD2 4.33Å; L336-Y338 HydrophobicContact CB-CE2 3.62Å; L336-Y338 HydrophobicContact CD1-CE2 4.16Å; L336-L353 HydrophobicContact CB-CD1 3.88Å; L336-L353 HydrophobicContact CD2-CD1 4.28Å; L336-R356 HydrophobicContact CD2-CB 3.98Å; L336-R356 HydrophobicContact CD2-CG 3.71Å
337C96.7Very high87.9Confident1 Ų143.5 Ų43.51%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-122.4121.3175.2-179.90000110.9V326 L327 L353 Q354 W355V326-C337 WeakPolarHBondContact O-CA 3.3Å; L327-C337 HydrophobicContact CD2-CB 3.55Å; C337-L353 CarbonylContact O-C 3.52Å; C337-L353 WeakPolarHBondContact O-CA 3.25Å; C337-Q354 PolarHBondContact O-N 3.06Å; C337-W355 HydrophobicContact CB-CD2 3.43Å; C337-W355 VanDerWaalsContact CB-CD2 3.43Å; C337-W355 HydrophobicContact CB-CE3 3.79Å; C337-W355 HydrophobicContact CB-CG 4.02Å; C337-W355 HydrophobicContact CB-CH2 3.71Å; C337-W355 HydrophobicContact CB-CZ2 3.34Å; C337-W355 HydrophobicContact CB-CZ3 3.91Å; C337-W355 PolarHBondContact N-O 3.47Å
338Y95.9Very high86.6Confident0 Ų048.1 Ų48.10%030%0.299CS..EExtended strand (participates in β ladder)trans-112136.2177.7-64.1-98.9000110.1L301 S304 E325 V326 L328 L336 Q352 L353L301-Y338 HydrophobicContact CB-CD1 4.14Å; L301-Y338 HydrophobicContact CB-CE1 3.98Å; L301-Y338 HydrophobicContact CB-CG 4.5Å; L301-Y338 HydrophobicContact CD2-CD1 4.4Å; L301-Y338 HydrophobicContact CD2-CD2 3.88Å; L301-Y338 HydrophobicContact CD2-CE2 4.3Å; L301-Y338 HydrophobicContact CD2-CG 3.95Å; L301-Y338 HydrophobicContact CG-CD1 4.08Å; L301-Y338 HydrophobicContact CG-CD2 4.43Å; L301-Y338 HydrophobicContact CG-CE1 4.43Å; L301-Y338 HydrophobicContact CG-CG 4.1Å; S304-Y338 WeakPolarHBondContact CA-OH 3.24Å; S304-Y338 PolarHBondContact N-OH 3.16Å; E325-Y338 CarbonylContact C-O 3.52Å; E325-Y338 VanDerWaalsContact CA-O 3.26Å; E325-Y338 WeakPolarHBondContact CA-O 3.5Å; E325-Y338 WeakPolarHBondContact CB-O 3.45Å; V326-Y338 PolarHBondContact N-O 2.75Å; V326-Y338 PolarHBondContact O-N 3.04Å; L328-Y338 HydrophobicContact CD1-CD2 4.28Å; L328-Y338 HydrophobicContact CD1-CE2 3.8Å; L328-Y338 HydrophobicContact CG-CD2 4.42Å; L328-Y338 HydrophobicContact CG-CE2 4.27Å; L336-Y338 HydrophobicContact CB-CD2 4.33Å; L336-Y338 HydrophobicContact CB-CE2 3.62Å; L336-Y338 HydrophobicContact CD1-CE2 4.16Å; Y338-Q352 WeakPolarHBondContact CA-O 3.4Å; Y338-L353 HydrophobicContact CD1-CB 4.08Å; Y338-L353 HydrophobicContact CD2-CD1 4.33Å; Y338-L353 HydrophobicContact CE1-CB 3.79Å; Y338-L353 HydrophobicContact CE1-CD1 4.11Å; Y338-L353 HydrophobicContact CE2-CD1 3.92Å
339K92.9Very high85.9Confident22 Ų2248.4 Ų48.410%0.09630%0.302CS..EExtended strand (participates in β ladder)trans-116.4139.7172.8-168.1170-178.6113.90109.6D319 D321 E325 Q341 F351 Q352 Q354D319-K339 IonicContact OD1-NZ 2.79Å; D319-K339 PolarHBondContact OD1-NZ 3.19Å; D319-K339 IonicContact OD2-NZ 3.53Å; D319-K339 PolarHBondContact OD2-NZ 2.9Å; D321-K339 IonicContact OD1-NZ 3.88Å; D321-K339 PolarHBondContact OD1-NZ 3Å; D321-K339 VanDerWaalsContact OD1-NZ 3.1Å; D321-K339 VanDerWaalsContact OD2-CE 3.26Å; D321-K339 WeakPolarHBondContact OD2-CE 3.32Å; D321-K339 IonicContact OD2-NZ 3.88Å; D321-K339 PolarHBondContact OD2-NZ 2.99Å; E325-K339 HydrophobicContact CG-CB 4.05Å; E325-K339 HydrophobicContact CG-CD 4.4Å; E325-K339 HydrophobicContact CG-CG 4.16Å; E325-K339 VanDerWaalsContact OE1-CD 3.3Å; E325-K339 WeakPolarHBondContact OE1-CD 3.33Å; E325-K339 WeakPolarHBondContact OE1-CE 3.37Å; E325-K339 IonicContact OE1-NZ 2.66Å; E325-K339 PolarHBondContact OE1-NZ 2.98Å; K339-Q341 PolarHBondContact O-N 2.82Å; K339-F351 WeakPolarHBondContact O-CA 3.45Å; K339-Q352 PolarHBondContact N-O 2.79Å; K339-Q352 PolarHBondContact O-N 2.87Å; K339-Q354 HydrophobicContact CB-CG 3.48Å; K339-Q354 VanDerWaalsContact CB-CG 3.48Å
340F91.2Very high85.5Confident16 Ų1653.3 Ų53.37%0.0732%0.324CS..EExtended strand (participates in β ladder)trans-71.3125.8175.3-175.6-109.1000109.7L253 P342 G349 F351L253-F340 HydrophobicContact CD2-CB 4.12Å; L253-F340 HydrophobicContact CD2-CD1 3.85Å; L253-F340 HydrophobicContact CD2-CE1 4.45Å; L253-F340 HydrophobicContact CD2-CG 3.97Å; F340-P342 HydrophobicContact CE1-CB 4.28Å; F340-G349 WeakPolarHBondContact CE2-O 3.41Å; F340-F351 HydrophobicContact CB-CD1 4.1Å; F340-F351 HydrophobicContact CB-CE1 3.74Å; F340-F351 HydrophobicContact CB-CZ 4Å; F340-F351 AromaticContact CD2-CD2 3.91Å; F340-F351 HydrophobicContact CD2-CD2 3.91Å; F340-F351 HydrophobicContact CD2-CE1 4.3Å; F340-F351 AromaticContact CD2-CE2 3.64Å; F340-F351 HydrophobicContact CD2-CE2 3.64Å; F340-F351 HydrophobicContact CD2-CG 4.35Å; F340-F351 AromaticContact CD2-CZ 3.86Å; F340-F351 HydrophobicContact CD2-CZ 3.86Å; F340-F351 HydrophobicContact CE2-CE2 4.33Å; F340-F351 HydrophobicContact CG-CE1 4.48Å; F340-F351 HydrophobicContact CG-CZ 4.29Å
341Q87.8Confident85.2Confident72 Ų7253.6 Ų53.634%0.33633%0.326SS..EExtended strand (participates in β ladder)trans-106.8113.8170.7-69.6-169.99.100108.8K339 A343 G349 E350 Q352K339-Q341 PolarHBondContact O-N 2.82Å; Q341-A343 PolarHBondContact O-N 2.85Å; Q341-G349 CarbonylContact O-C 3.56Å; Q341-G349 WeakPolarHBondContact O-CA 3.33Å; Q341-E350 PolarHBondContact N-O 2.89Å; Q341-E350 PolarHBondContact O-N 2.8Å; Q341-Q352 HydrophobicContact CG-CB 4.5Å; Q341-Q352 HydrophobicContact CG-CG 4.37Å; Q341-Q352 VanDerWaalsContact NE2-CD 3.33Å; Q341-Q352 VanDerWaalsContact OE1-OE1 3.05Å
342P81.9Confident85Confident91 Ų9151.4 Ų51.459%0.59132%0.32SS*.PPolyproline II helixtrans-63.1130.617327.3-32000108F340F340-P342 HydrophobicContact CE1-CB 4.28Å
343A75.9Confident84.9Confident37 Ų3753.7 Ų53.731%0.30633%0.325SS..PPolyproline II helixtrans-70.6155.117700000110.6Q341 Q347Q341-A343 PolarHBondContact O-N 2.85Å; A343-Q347 HydrophobicContact CB-CB 3.55Å; A343-Q347 WeakPolarHBondContact CB-O 3.16Å
344G71.3Confident84.7Confident60 Ų6054.3 Ų54.362%0.61933%0.328SS*.SBendtrans-60.8169.7167.800000112G346 Q347G344-G346 PolarHBondContact O-N 2.86Å; G344-Q347 PolarHBondContact O-N 2.8Å
345S51.9Low84.6Confident134 Ų13455.1 Ų55.194%0.93733%0.33SS*.THydrogen-bonded Turntrans-43.8107.3-173.156.90000113.8
346G58.5Low84.4Confident85 Ų8558.2 Ų58.288%0.87634%0.342SS*.THydrogen-bonded Turntrans105-1.6168.600000117.1G344G344-G346 PolarHBondContact O-N 2.86Å
347Q65.1Low84.3Confident161 Ų16160 Ų6075%0.75235%0.349SS*.SBendtrans-107.2159172.4-77.9-178-9.200111.6A343 G344A343-Q347 HydrophobicContact CB-CB 3.55Å; A343-Q347 WeakPolarHBondContact CB-O 3.16Å; G344-Q347 PolarHBondContact O-N 2.8Å
348D71.5Confident84.2Confident99 Ų9963 Ų6353%0.52937%0.37SS..  trans-78.1130.7170.4-96.3-40.8000109.3R288 R297R288-D348 IonicContact CZ-OD1 3.9Å; R288-D348 IonicContact NH2-OD1 3.5Å; R288-D348 PolarHBondContact NH2-OD1 2.92Å; R288-D348 IonicContact NH2-OD2 2.72Å; R297-D348 IonicContact CZ-OD1 3.74Å; R297-D348 IonicContact NE-OD1 2.74Å; R297-D348 PolarHBondContact NE-OD1 2.83Å; R297-D348 IonicContact NH2-OD1 3.64Å; R297-D348 PolarHBondContact NH2-OD1 3.46Å
349G82.6Confident84.3Confident6 Ų664 Ų646%0.06237%0.374CS..  trans-61.4154.4176.600000112.6R288 F340 Q341R288-G349 PolarHBondContact NH1-O 2.97Å; F340-G349 WeakPolarHBondContact CE2-O 3.41Å; Q341-G349 CarbonylContact O-C 3.56Å; Q341-G349 WeakPolarHBondContact O-CA 3.33Å
350E89.4Confident84.3Confident102 Ų10271.5 Ų71.548%0.47741%0.407SS..EExtended strand (participates in β ladder)trans-126.1153.5-173.563.9176.6-167.500112.4Q341 Q352Q341-E350 PolarHBondContact N-O 2.89Å; Q341-E350 PolarHBondContact O-N 2.8Å; E350-Q352 HydrophobicContact CG-CG 4.2Å; E350-Q352 PolarHBondContact OE1-NE2 3.12Å
351F92.3Very high84.6Confident6 Ų670.9 Ų70.93%0.02641%0.405CS..EExtended strand (participates in β ladder)trans-88.8121.1172.2-77.3-90.7000109.9L253 V286 T299 L301 V326 K339 F340L253-F351 HydrophobicContact CD1-CZ 4.22Å; V286-F351 HydrophobicContact CB-CD2 4.35Å; V286-F351 HydrophobicContact CB-CE2 3.79Å; V286-F351 HydrophobicContact CB-CZ 4.35Å; V286-F351 HydrophobicContact CG1-CE2 3.78Å; V286-F351 HydrophobicContact CG1-CZ 4.08Å; V286-F351 HydrophobicContact CG2-CD2 4.35Å; V286-F351 HydrophobicContact CG2-CE2 3.91Å; V286-F351 HydrophobicContact CG2-CZ 4.13Å; T299-F351 HydrophobicContact CG2-CD2 4.22Å; L301-F351 HydrophobicContact CD1-CB 4.07Å; L301-F351 HydrophobicContact CD1-CD2 4.16Å; L301-F351 HydrophobicContact CD1-CG 4.12Å; L301-F351 HydrophobicContact CG-CB 4.05Å; L301-F351 HydrophobicContact CG-CG 4.46Å; V326-F351 HydrophobicContact CG2-CD1 4.25Å; V326-F351 HydrophobicContact CG2-CE1 3.8Å; K339-F351 WeakPolarHBondContact O-CA 3.45Å; F340-F351 HydrophobicContact CB-CD1 4.1Å; F340-F351 HydrophobicContact CB-CE1 3.74Å; F340-F351 HydrophobicContact CB-CZ 4Å; F340-F351 AromaticContact CD2-CD2 3.91Å; F340-F351 HydrophobicContact CD2-CD2 3.91Å; F340-F351 HydrophobicContact CD2-CE1 4.3Å; F340-F351 AromaticContact CD2-CE2 3.64Å; F340-F351 HydrophobicContact CD2-CE2 3.64Å; F340-F351 HydrophobicContact CD2-CG 4.35Å; F340-F351 AromaticContact CD2-CZ 3.86Å; F340-F351 HydrophobicContact CD2-CZ 3.86Å; F340-F351 HydrophobicContact CE2-CE2 4.33Å; F340-F351 HydrophobicContact CG-CE1 4.48Å; F340-F351 HydrophobicContact CG-CZ 4.29Å
352Q93.7Very high85.1Confident69 Ų6968.1 Ų68.132%0.32239%0.393SS..EExtended strand (participates in β ladder)trans-109.6134.6177.2-69.3-168.64.600111.6Y338 K339 Q341 E350 Q354Y338-Q352 WeakPolarHBondContact CA-O 3.4Å; K339-Q352 PolarHBondContact N-O 2.79Å; K339-Q352 PolarHBondContact O-N 2.87Å; Q341-Q352 HydrophobicContact CG-CB 4.5Å; Q341-Q352 HydrophobicContact CG-CG 4.37Å; Q341-Q352 VanDerWaalsContact NE2-CD 3.33Å; Q341-Q352 VanDerWaalsContact OE1-OE1 3.05Å; E350-Q352 HydrophobicContact CG-CG 4.2Å; E350-Q352 PolarHBondContact OE1-NE2 3.12Å; Q352-Q354 PolarHBondContact O-N 3.39Å; Q352-Q354 PolarHBondContact O-NE2 3.18Å
353L94.8Very high85.8Confident75 Ų7563.8 Ų63.839%0.39337%0.365SS..EExtended strand (participates in β ladder)trans-62.6114.8173-177.570.7000109.8L336 C337 Y338 W355L336-L353 HydrophobicContact CB-CD1 3.88Å; L336-L353 HydrophobicContact CD2-CD1 4.28Å; C337-L353 CarbonylContact O-C 3.52Å; C337-L353 WeakPolarHBondContact O-CA 3.25Å; Y338-L353 HydrophobicContact CD1-CB 4.08Å; Y338-L353 HydrophobicContact CD2-CD1 4.33Å; Y338-L353 HydrophobicContact CE1-CB 3.79Å; Y338-L353 HydrophobicContact CE1-CD1 4.11Å; Y338-L353 HydrophobicContact CE2-CD1 3.92Å; L353-W355 WeakPolarHBondContact CD1-O 3.49Å
354Q93.8Very high86.9Confident88 Ų8862.4 Ų62.441%0.41135%0.352SS..EExtended strand (participates in β ladder)trans-85-46.8178.9-62.3-52.9-56.800111.7C337 K339 Q352C337-Q354 PolarHBondContact O-N 3.06Å; K339-Q354 HydrophobicContact CB-CG 3.48Å; K339-Q354 VanDerWaalsContact CB-CG 3.48Å; Q352-Q354 PolarHBondContact O-N 3.39Å; Q352-Q354 PolarHBondContact O-NE2 3.18Å
355W93.7Very high88.1Confident34 Ų3460.1 Ų60.113%0.12933%0.327CS..EExtended strand (participates in β ladder)trans-156.6163-179.454.2-101.3000111.2Y9 P10 L318 L327 L335 C337 L353 R357Y9-W355 HydrophobicContact CD1-CB 4.18Å; Y9-W355 HydrophobicContact CD1-CD2 4.07Å; Y9-W355 AromaticContact CD1-CE3 3.81Å; Y9-W355 HydrophobicContact CD1-CE3 3.81Å; Y9-W355 HydrophobicContact CD1-CG 4.27Å; Y9-W355 HydrophobicContact CE1-CB 4.1Å; Y9-W355 HydrophobicContact CE1-CE3 4.11Å; P10-W355 HydrophobicContact CG-CZ2 4.21Å; L318-W355 HydrophobicContact CD1-CZ2 3.93Å; L327-W355 HydrophobicContact CD2-CH2 3.64Å; L327-W355 HydrophobicContact CD2-CZ2 3.88Å; L335-W355 HydrophobicContact CD2-CH2 3.99Å; L335-W355 HydrophobicContact CD2-CZ3 4Å; L335-W355 HydrophobicContact CG-CH2 4.29Å; L335-W355 HydrophobicContact CG-CZ3 4.05Å; C337-W355 HydrophobicContact CB-CD2 3.43Å; C337-W355 VanDerWaalsContact CB-CD2 3.43Å; C337-W355 HydrophobicContact CB-CE3 3.79Å; C337-W355 HydrophobicContact CB-CG 4.02Å; C337-W355 HydrophobicContact CB-CH2 3.71Å; C337-W355 HydrophobicContact CB-CZ2 3.34Å; C337-W355 HydrophobicContact CB-CZ3 3.91Å; C337-W355 PolarHBondContact N-O 3.47Å; L353-W355 WeakPolarHBondContact CD1-O 3.49Å; W355-R357 HydrophobicContact CE3-CB 4.43Å; W355-R357 HydrophobicContact CZ3-CB 4.22Å
356R94.3Very high90.3Very high65 Ų6554.2 Ų54.225%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-137.8123179.8166.5-176.482.7121.414.6109.8Y9 E334 L335 L336Y9-R356 VanDerWaalsContact CE1-C 3.49Å; Y9-R356 WeakPolarHBondContact CE1-O 3.28Å; Y9-R356 VanDerWaalsContact CZ-O 3.3Å; Y9-R356 PolarHBondContact OH-O 2.86Å; E334-R356 HydrophobicContact CB-CG 4.29Å; E334-R356 VanDerWaalsContact CD-NH1 3.32Å; E334-R356 HydrophobicContact CG-CG 4.42Å; E334-R356 IonicContact OE1-CZ 2.67Å; E334-R356 IonicContact OE1-NH1 2.97Å; E334-R356 PolarHBondContact OE1-NH1 3.32Å; E334-R356 WeakPolarHBondContact OE2-CD 3.35Å; E334-R356 WeakPolarHBondContact OE2-CG 3.49Å; E334-R356 IonicContact OE2-CZ 3.1Å; E334-R356 IonicContact OE2-NE 3.62Å; E334-R356 IonicContact OE2-NH1 2.71Å; L335-R356 CarbonylContact O-C 3.56Å; L335-R356 WeakPolarHBondContact O-CA 3.38Å; L336-R356 HydrophobicContact CD2-CB 3.98Å; L336-R356 HydrophobicContact CD2-CG 3.71Å
357R94.8Very high92.1Very high37 Ų3751.7 Ų51.714%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-111.8124.3177.3179.6176.9173.9164.5-1.8111.5Y9 F11 L335 W355 F359 L390Y9-R357 HydrophobicContact CD1-CB 4.04Å; Y9-R357 HydrophobicContact CE1-CB 3.87Å; F11-R357 PolarHBondContact O-NH1 3.29Å; L335-R357 HydrophobicContact CB-CB 4.43Å; L335-R357 PolarHBondContact N-O 2.91Å; L335-R357 PolarHBondContact O-N 3.2Å; W355-R357 HydrophobicContact CE3-CB 4.43Å; W355-R357 HydrophobicContact CZ3-CB 4.22Å; R357-F359 HydrophobicContact CB-CE2 4.37Å; R357-F359 HydrophobicContact CG-CE2 3.94Å; R357-F359 HydrophobicContact CG-CZ 4.48Å; R357-F359 WeakPolarHBondContact O-CD2 3.12Å; R357-L390 VanDerWaalsContact NH2-CD2 3.27Å
358S95.8Very high93.6Very high65 Ų6545.1 Ų45.146%0.45522%0.22SC..EExtended strand (participates in β ladder)trans-86142.1176.8-43.80000112.8Q333 E334Q333-S358 CarbonylContact O-C 3.53Å; Q333-S358 WeakPolarHBondContact O-CA 3.29Å; E334-S358 VanDerWaalsContact CD-OG 3.22Å; E334-S358 PolarHBondContact OE1-OG 3.07Å; E334-S358 VanDerWaalsContact OE2-CA 3.25Å; E334-S358 WeakPolarHBondContact OE2-CA 3.49Å; E334-S358 WeakPolarHBondContact OE2-CB 3.49Å; E334-S358 PolarHBondContact OE2-N 2.9Å; E334-S358 PolarHBondContact OE2-OG 3.12Å
359F96.2Very high94.7Very high20 Ų2041.1 Ų41.19%0.08820%0.198CC..  trans-115.5174.8175.4-71.4-103.8000110.6Q333 L335 R357 L363 V381 T383 H388 L390Q333-F359 PolarHBondContact O-N 3.35Å; Q333-F359 PolarHBondContact OE1-O 3.35Å; Q333-F359 VanDerWaalsContact OE1-O 3.12Å; L335-F359 HydrophobicContact CB-CD2 4.43Å; L335-F359 HydrophobicContact CB-CE2 3.74Å; L335-F359 HydrophobicContact CD2-CE2 4.28Å; L335-F359 HydrophobicContact CD2-CZ 4.48Å; R357-F359 HydrophobicContact CB-CE2 4.37Å; R357-F359 HydrophobicContact CG-CE2 3.94Å; R357-F359 HydrophobicContact CG-CZ 4.48Å; R357-F359 WeakPolarHBondContact O-CD2 3.12Å; F359-L363 HydrophobicContact CB-CD1 3.94Å; F359-L363 HydrophobicContact CD2-CD1 3.9Å; F359-L363 HydrophobicContact CD2-CD2 3.96Å; F359-L363 HydrophobicContact CD2-CG 4.27Å; F359-L363 HydrophobicContact CE2-CD2 4Å; F359-L363 HydrophobicContact CG-CD1 4.05Å; F359-L363 HydrophobicContact CG-CG 4.49Å; F359-V381 HydrophobicContact CE1-CB 4.25Å; F359-V381 HydrophobicContact CE1-CG1 4.04Å; F359-V381 HydrophobicContact CZ-CB 4.31Å; F359-V381 HydrophobicContact CZ-CG1 4.05Å; F359-V381 HydrophobicContact CZ-CG2 4.17Å; F359-T383 HydrophobicContact CD1-CG2 4.43Å; F359-H388 AromaticContact CD1-CD2 3.94Å; F359-H388 AromaticContact CD1-NE2 3.96Å; F359-H388 HydrophobicContact CE1-CB 4.2Å; F359-H388 AromaticContact CE1-CG 3.96Å; F359-L390 HydrophobicContact CZ-CD1 4.04Å
360K94.7Very high95.2Very high179 Ų17942.4 Ų42.478%0.77820%0.203SC*.SBendtrans-97.110.4179.4-61.7-178.2-179.3172.30113.5K385K360-K385 PolarHBondContact O-NZ 2.81Å; K360-K385 VanDerWaalsContact O-NZ 3.07Å
361S96.8Very high95.4Very high4 Ų437.6 Ų37.63%0.02818%0.181CC..SBendtrans-163.9148-172.1-167.50000110.1L384S361-L384 WeakPolarHBondContact OG-CB 3.48Å
362P97.6Very high95.3Very high13 Ų1338.9 Ų38.98%0.08419%0.189CC..  trans-52.5139.4173.9-32.438.5000113.1Y331 Q333 T383 L384Y331-P362 HydrophobicContact CD1-CG 4.39Å; Y331-P362 HydrophobicContact CD2-CB 3.69Å; Y331-P362 HydrophobicContact CD2-CG 3.97Å; Y331-P362 HydrophobicContact CE1-CG 4.28Å; Y331-P362 HydrophobicContact CE2-CB 3.99Å; Y331-P362 HydrophobicContact CE2-CG 3.89Å; Y331-P362 HydrophobicContact CG-CB 4.12Å; Y331-P362 HydrophobicContact CG-CG 4.25Å; Y331-P362 WeakPolarHBondContact O-CB 3.4Å; Y331-P362 VanDerWaalsContact O-CG 3.29Å; Y331-P362 WeakPolarHBondContact O-CG 3.48Å; Q333-P362 HydrophobicContact CG-CG 4.42Å; P362-T383 CarbonylContact O-C 3.58Å; P362-T383 WeakPolarHBondContact O-CA 3.38Å; P362-T383 VanDerWaalsContact O-CB 3.26Å; P362-T383 WeakPolarHBondContact O-CB 3.24Å; P362-L384 HydrophobicContact CB-CD1 3.77Å; P362-L384 HydrophobicContact CB-CG 4.09Å; P362-L384 HydrophobicContact CG-CD1 3.54Å; P362-L384 HydrophobicContact CG-CG 4.35Å; P362-L384 PolarHBondContact O-N 2.97Å; P362-L384 VanDerWaalsContact O-N 3.07Å
363L98.1Very high95.1Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-92.1122.1-179.4-70.170.5000109L311 T330 Q333 L335 F359 V381L311-L363 WeakPolarHBondContact CB-O 3.37Å; L311-L363 WeakPolarHBondContact CD1-O 3.45Å; T330-L363 PolarHBondContact O-N 2.7Å; T330-L363 VanDerWaalsContact O-N 3.09Å; Q333-L363 VanDerWaalsContact C-CD1 3.45Å; L335-L363 HydrophobicContact CB-CD2 3.7Å; L335-L363 HydrophobicContact CD1-CD2 4.11Å; L335-L363 HydrophobicContact CG-CD2 4.46Å; F359-L363 HydrophobicContact CB-CD1 3.94Å; F359-L363 HydrophobicContact CD2-CD1 3.9Å; F359-L363 HydrophobicContact CD2-CD2 3.96Å; F359-L363 HydrophobicContact CD2-CG 4.27Å; F359-L363 HydrophobicContact CE2-CD2 4Å; F359-L363 HydrophobicContact CG-CD1 4.05Å; F359-L363 HydrophobicContact CG-CG 4.49Å; L363-V381 HydrophobicContact CB-CG1 4.48Å; L363-V381 HydrophobicContact CD2-CG1 3.8Å; L363-V381 HydrophobicContact CG-CG1 3.85Å
364L97.6Very high94.8Very high9 Ų938.6 Ų38.65%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-104.4-38.8-171.9-59.8175.8000113S23 I25 L311 C312 L382 L384S23-L364 WeakPolarHBondContact O-CD1 3.19Å; I25-L364 HydrophobicContact CG2-CB 4.44Å; I25-L364 HydrophobicContact CG2-CD2 4.24Å; L311-L364 HydrophobicContact CD1-CD2 4.01Å; C312-L364 WeakPolarHBondContact CB-O 3.35Å; L364-L382 HydrophobicContact CB-CD2 4.35Å; L364-L382 HydrophobicContact CB-CG 4.34Å; L364-L382 PolarHBondContact N-O 3.23Å; L364-L384 HydrophobicContact CD1-CD2 3.84Å; L364-L384 HydrophobicContact CD1-CG 4.09Å; L364-L384 HydrophobicContact CD2-CD2 4.03Å; L364-L384 HydrophobicContact CD2-CG 4.08Å; L364-L384 HydrophobicContact CG-CD2 4.4Å; L364-L384 HydrophobicContact CG-CG 4.3Å
365S97.5Very high94.5Very high11 Ų1137.2 Ų37.28%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-153.2153.2179.7-175.20000110.2L382S365-L382 PolarHBondContact N-O 3.36Å; S365-L382 PolarHBondContact O-N 3.43Å
366V97.5Very high94.4Very high10 Ų1037.8 Ų37.86%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-138.5131.4-179.7-177.50000109L314 L335 L379 A380 V381L314-V366 HydrophobicContact CB-CG1 4.41Å; L314-V366 HydrophobicContact CD2-CG1 3.87Å; L335-V366 HydrophobicContact CD1-CG2 4.42Å; V366-L379 HydrophobicContact CG1-CD1 3.41Å; V366-L379 VanDerWaalsContact CG1-CD1 3.41Å; V366-L379 HydrophobicContact CG1-CG 4.01Å; V366-A380 WeakPolarHBondContact CA-O 3.43Å; V366-V381 HydrophobicContact CG1-CG2 4.4Å; V366-V381 HydrophobicContact CG2-CG1 4.32Å; V366-V381 HydrophobicContact CG2-CG2 4.39Å
367I96.8Very high94.3Very high32 Ų3240.9 Ų40.916%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-132.2146.8176.1-67.3-176.4000109.2L28 L36 L369 A380L28-I367 HydrophobicContact CB-CD1 4.48Å; L28-I367 HydrophobicContact CD2-CB 4.12Å; L28-I367 HydrophobicContact CD2-CD1 3.83Å; L28-I367 HydrophobicContact CD2-CG1 3.75Å; L28-I367 HydrophobicContact CG-CD1 3.71Å; L28-I367 HydrophobicContact CG-CG1 4.22Å; L36-I367 HydrophobicContact CD2-CD1 4.5Å; L36-I367 HydrophobicContact CD2-CG2 3.98Å; I367-L369 HydrophobicContact CG2-CB 4.29Å; I367-A380 PolarHBondContact N-O 3.08Å; I367-A380 PolarHBondContact O-N 3.42Å
368Y95.6Very high94.3Very high24 Ų2439.3 Ų39.39%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-124.4109.5177.5-176.2-120.6000110.9F11 I316 R377 E378 L379 H392F11-Y368 HydrophobicContact CE1-CE2 4.34Å; F11-Y368 HydrophobicContact CZ-CE2 4.13Å; I316-Y368 HydrophobicContact CB-CD1 4.09Å; I316-Y368 HydrophobicContact CB-CE1 4.4Å; I316-Y368 HydrophobicContact CD1-CD1 3.73Å; I316-Y368 HydrophobicContact CD1-CD2 3.97Å; I316-Y368 HydrophobicContact CD1-CE1 4.13Å; I316-Y368 HydrophobicContact CD1-CE2 4.38Å; I316-Y368 HydrophobicContact CD1-CG 3.61Å; I316-Y368 HydrophobicContact CG2-CD1 3.74Å; I316-Y368 HydrophobicContact CG2-CE1 4.48Å; I316-Y368 HydrophobicContact CG2-CG 4.32Å; Y368-R377 HydrophobicContact CD1-CB 3.88Å; Y368-R377 HydrophobicContact CD1-CG 4.42Å; Y368-R377 HydrophobicContact CD2-CB 3.83Å; Y368-R377 HydrophobicContact CE1-CB 3.56Å; Y368-R377 HydrophobicContact CE1-CG 4.15Å; Y368-R377 HydrophobicContact CE2-CB 3.48Å; Y368-R377 VanDerWaalsContact CE2-CB 3.48Å; Y368-R377 WeakPolarHBondContact CE2-O 3.46Å; Y368-R377 HydrophobicContact CG-CB 4.03Å; Y368-E378 WeakPolarHBondContact CA-O 3.25Å; Y368-E378 WeakPolarHBondContact CD2-O 3.34Å; Y368-L379 HydrophobicContact CD2-CB 4.21Å; Y368-L379 HydrophobicContact CD2-CD1 4.19Å; Y368-H392 AromaticContact CE2-NE2 3.9Å; Y368-H392 AromaticContact CZ-NE2 3.8Å; Y368-H392 PolarHBondContact OH-NE2 2.88Å
369L94.6Very high94.3Very high14 Ų1436.2 Ų36.27%0.07320%0.198CC..EExtended strand (participates in β ladder)trans-144.1148.7-168.5-17760000110.6Q30 E33 L36 I367 L371 R377 E378Q30-L369 HydrophobicContact CB-CD2 4.19Å; Q30-L369 HydrophobicContact CG-CD1 4.46Å; Q30-L369 HydrophobicContact CG-CD2 3.6Å; Q30-L369 VanDerWaalsContact NE2-CD1 3.34Å; E33-L369 WeakPolarHBondContact O-CD1 3.25Å; L36-L369 HydrophobicContact CD2-CD2 3.91Å; I367-L369 HydrophobicContact CG2-CB 4.29Å; L369-L371 HydrophobicContact CB-CD2 4.17Å; L369-L371 HydrophobicContact CB-CG 4.49Å; L369-L371 HydrophobicContact CD2-CD2 3.72Å; L369-L371 HydrophobicContact CG-CD2 4.01Å; L369-L371 PolarHBondContact O-N 2.79Å; L369-R377 CarbonylContact O-C 3.55Å; L369-R377 WeakPolarHBondContact O-CA 3.11Å; L369-E378 PolarHBondContact N-O 2.84Å; L369-E378 PolarHBondContact O-N 3.4Å
370D94.1Very high94.4Very high33 Ų3335.3 Ų35.318%0.17619%0.194CC..  trans-79.691.6171.6-179.37.1000109Q34 G373 D374 G375 R377Q34-D370 WeakPolarHBondContact CG-O 3.27Å; D370-G373 VanDerWaalsContact OD1-CA 3.24Å; D370-G373 WeakPolarHBondContact OD1-CA 3.27Å; D370-G373 PolarHBondContact OD1-N 2.9Å; D370-D374 PolarHBondContact OD1-N 2.68Å; D370-G375 VanDerWaalsContact OD2-CA 3.25Å; D370-G375 WeakPolarHBondContact OD2-CA 3.28Å; D370-G375 PolarHBondContact OD2-N 2.6Å; D370-R377 HydrophobicContact CB-CG 3.99Å
371L93.1Very high94.5Very high2 Ų226.8 Ų26.81%0.0116%0.157CC..SBendtrans-84.6-23.3-178-58173.8000112L36 F48 Y50 L369 E378 I389L36-L371 HydrophobicContact CD1-CD1 3.82Å; L36-L371 HydrophobicContact CD1-CD2 3.8Å; L36-L371 HydrophobicContact CD1-CG 4.45Å; L36-L371 HydrophobicContact CD2-CD2 4.34Å; L36-L371 HydrophobicContact CG-CD2 3.68Å; F48-L371 HydrophobicContact CD1-CD1 4.1Å; F48-L371 HydrophobicContact CE1-CD1 3.82Å; Y50-L371 HydrophobicContact CD2-CB 3.57Å; Y50-L371 WeakPolarHBondContact CD2-O 3.5Å; Y50-L371 HydrophobicContact CE2-CB 3.65Å; Y50-L371 HydrophobicContact CE2-CD1 4.26Å; L369-L371 HydrophobicContact CB-CD2 4.17Å; L369-L371 HydrophobicContact CB-CG 4.49Å; L369-L371 HydrophobicContact CD2-CD2 3.72Å; L369-L371 HydrophobicContact CG-CD2 4.01Å; L369-L371 PolarHBondContact O-N 2.79Å; L371-E378 WeakPolarHBondContact CA-OE2 3.23Å; L371-E378 WeakPolarHBondContact CB-OE2 3.49Å; L371-E378 HydrophobicContact CD1-CB 3.97Å; L371-E378 HydrophobicContact CG-CB 4.36Å; L371-E378 PolarHBondContact N-OE2 2.91Å; L371-I389 HydrophobicContact CD1-CD1 4.01Å; L371-I389 HydrophobicContact CD1-CG2 4.19Å
372T91.3Very high94.6Very high33 Ų3326.6 Ų26.620%0.20216%0.156CC..SBendtrans-91.1-19.8-179.752.40000113Y50 V57 D374 E378Y50-T372 HydrophobicContact CD1-CG2 4.05Å; Y50-T372 HydrophobicContact CD2-CG2 3.74Å; Y50-T372 HydrophobicContact CE1-CG2 4.17Å; Y50-T372 HydrophobicContact CE2-CG2 3.87Å; Y50-T372 HydrophobicContact CG-CG2 3.83Å; V57-T372 HydrophobicContact CG1-CG2 4.42Å; T372-D374 VanDerWaalsContact C-N 3.33Å; T372-D374 PolarHBondContact OG1-OD1 2.84Å; T372-E378 WeakPolarHBondContact CG2-OE1 3.44Å; T372-E378 PolarHBondContact OG1-OE1 2.89Å
373G89.1Confident94.6Very high37 Ų3726 Ų2638%0.38115%0.152SC..SBendtrans78.316.3-179.400000114.1D370D370-G373 VanDerWaalsContact OD1-CA 3.24Å; D370-G373 WeakPolarHBondContact OD1-CA 3.27Å; D370-G373 PolarHBondContact OD1-N 2.9Å
374D88.2Confident94.5Very high101 Ų10127.3 Ų27.354%0.5416%0.159SC..SBendtrans-96.2-0-177.875.93.9000113.2D370 T372 L376D370-D374 PolarHBondContact OD1-N 2.68Å; T372-D374 VanDerWaalsContact C-N 3.33Å; T372-D374 PolarHBondContact OG1-OD1 2.84Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 WeakPolarHBondContact OD1-CA 3.45Å; D374-L376 VanDerWaalsContact OD1-CB 3.27Å; D374-L376 WeakPolarHBondContact OD1-CB 3.42Å; D374-L376 PolarHBondContact OD1-N 2.9Å
375G88.1Confident94.2Very high58 Ų5832 Ų3260%0.59818%0.179SC*.SBendtrans89.3-10-177.300000114.2D370D370-G375 VanDerWaalsContact OD2-CA 3.25Å; D370-G375 WeakPolarHBondContact OD2-CA 3.28Å; D370-G375 PolarHBondContact OD2-N 2.6Å
376L89.9Confident94.2Very high47 Ų4731.4 Ų31.425%0.24618%0.175CC..PPolyproline II helixtrans-91.7125169.5-62.2176.3000109.4F320 D374 T397F320-L376 HydrophobicContact CZ-CD2 4.47Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 WeakPolarHBondContact OD1-CA 3.45Å; D374-L376 VanDerWaalsContact OD1-CB 3.27Å; D374-L376 WeakPolarHBondContact OD1-CB 3.42Å; D374-L376 PolarHBondContact OD1-N 2.9Å; L376-T397 HydrophobicContact CD1-CG2 3.83Å; L376-T397 HydrophobicContact CD2-CG2 3.68Å; L376-T397 HydrophobicContact CG-CG2 4.43Å
377R92.7Very high94.1Very high129 Ų12931.1 Ų31.149%0.48717%0.173SC..PPolyproline II helixtrans-85.3142.6-179.1-63.5-177.8-178.5-163.81.3111.5Y368 L369 D370 H392Y368-R377 HydrophobicContact CD1-CB 3.88Å; Y368-R377 HydrophobicContact CD1-CG 4.42Å; Y368-R377 HydrophobicContact CD2-CB 3.83Å; Y368-R377 HydrophobicContact CE1-CB 3.56Å; Y368-R377 HydrophobicContact CE1-CG 4.15Å; Y368-R377 HydrophobicContact CE2-CB 3.48Å; Y368-R377 VanDerWaalsContact CE2-CB 3.48Å; Y368-R377 WeakPolarHBondContact CE2-O 3.46Å; Y368-R377 HydrophobicContact CG-CB 4.03Å; L369-R377 CarbonylContact O-C 3.55Å; L369-R377 WeakPolarHBondContact O-CA 3.11Å; D370-R377 HydrophobicContact CB-CG 3.99Å; R377-H392 PolarHBondContact O-CD2 2.73Å
378E94.8Very high94.2Very high4 Ų430.4 Ų30.42%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-97.1145171.6-67.588.7-17900112.3Y368 L369 L371 T372 I389 L390 Q391Y368-E378 WeakPolarHBondContact CA-O 3.25Å; Y368-E378 WeakPolarHBondContact CD2-O 3.34Å; L369-E378 PolarHBondContact N-O 2.84Å; L369-E378 PolarHBondContact O-N 3.4Å; L371-E378 WeakPolarHBondContact CA-OE2 3.23Å; L371-E378 WeakPolarHBondContact CB-OE2 3.49Å; L371-E378 HydrophobicContact CD1-CB 3.97Å; L371-E378 HydrophobicContact CG-CB 4.36Å; L371-E378 PolarHBondContact N-OE2 2.91Å; T372-E378 WeakPolarHBondContact CG2-OE1 3.44Å; T372-E378 PolarHBondContact OG1-OE1 2.89Å; E378-I389 HydrophobicContact CB-CG2 3.97Å; E378-I389 HydrophobicContact CG-CG2 4.23Å; E378-L390 WeakPolarHBondContact CA-O 3.33Å; E378-Q391 HydrophobicContact CG-CG 3.46Å; E378-Q391 VanDerWaalsContact CG-CG 3.46Å; E378-Q391 PolarHBondContact OE1-NE2 3.33Å; E378-Q391 VanDerWaalsContact OE1-NE2 3.16Å
379L96.6Very high94.2Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-93.7108.3173.6-171.472.3000109.4F11 L314 I316 L327 L335 V366 Y368 V381 L390F11-L379 HydrophobicContact CD1-CB 4.37Å; F11-L379 HydrophobicContact CD2-CD2 4.1Å; F11-L379 HydrophobicContact CE1-CB 3.89Å; F11-L379 HydrophobicContact CE2-CB 4.27Å; F11-L379 HydrophobicContact CE2-CD2 3.79Å; F11-L379 HydrophobicContact CZ-CB 3.83Å; F11-L379 HydrophobicContact CZ-CD2 4.19Å; L314-L379 HydrophobicContact CD2-CD1 3.82Å; I316-L379 HydrophobicContact CD1-CD1 4.2Å; L327-L379 HydrophobicContact CD1-CD1 3.92Å; L327-L379 HydrophobicContact CD1-CD2 3.94Å; L335-L379 HydrophobicContact CD2-CD2 3.94Å; V366-L379 HydrophobicContact CG1-CD1 3.41Å; V366-L379 VanDerWaalsContact CG1-CD1 3.41Å; V366-L379 HydrophobicContact CG1-CG 4.01Å; Y368-L379 HydrophobicContact CD2-CB 4.21Å; Y368-L379 HydrophobicContact CD2-CD1 4.19Å; L379-V381 HydrophobicContact CD2-CG2 4.2Å; L379-V381 HydrophobicContact CG-CG2 4.12Å; L379-L390 HydrophobicContact CB-CB 4.23Å; L379-L390 HydrophobicContact CD2-CD1 4.24Å; L379-L390 PolarHBondContact N-O 2.97Å; L379-L390 WeakPolarHBondContact O-CB 3.1Å; L379-L390 PolarHBondContact O-N 3.31Å
380A97.4Very high94.3Very high1 Ų128.7 Ų28.71%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-89.4119.2173.700000109.8L36 V366 I367 L387 H388 I389L36-A380 HydrophobicContact CD1-CB 3.42Å; L36-A380 VanDerWaalsContact CD1-CB 3.42Å; V366-A380 WeakPolarHBondContact CA-O 3.43Å; I367-A380 PolarHBondContact N-O 3.08Å; I367-A380 PolarHBondContact O-N 3.42Å; A380-L387 HydrophobicContact CB-CD1 4.26Å; A380-H388 CarbonylContact C-O 3.58Å; A380-H388 WeakPolarHBondContact CA-O 3.28Å; A380-I389 HydrophobicContact CB-CD1 3.74Å
381V98Very high94.2Very high0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-114.5106.7-180-1780000109F359 L363 V366 L379 T383 H388 L390F359-V381 HydrophobicContact CE1-CB 4.25Å; F359-V381 HydrophobicContact CE1-CG1 4.04Å; F359-V381 HydrophobicContact CZ-CB 4.31Å; F359-V381 HydrophobicContact CZ-CG1 4.05Å; F359-V381 HydrophobicContact CZ-CG2 4.17Å; L363-V381 HydrophobicContact CB-CG1 4.48Å; L363-V381 HydrophobicContact CD2-CG1 3.8Å; L363-V381 HydrophobicContact CG-CG1 3.85Å; V366-V381 HydrophobicContact CG1-CG2 4.4Å; V366-V381 HydrophobicContact CG2-CG1 4.32Å; V366-V381 HydrophobicContact CG2-CG2 4.39Å; L379-V381 HydrophobicContact CD2-CG2 4.2Å; L379-V381 HydrophobicContact CG-CG2 4.12Å; V381-T383 HydrophobicContact CG1-CG2 4.35Å; V381-H388 HydrophobicContact CB-CB 4.3Å; V381-H388 PolarHBondContact N-O 3Å; V381-H388 PolarHBondContact O-N 2.89Å; V381-L390 HydrophobicContact CG2-CD1 4.08Å
382L98.1Very high94.1Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-79.5127.4173.5176.366.7000109.7F19 S23 L28 L364 S365 L387F19-L382 HydrophobicContact CD2-CD1 4.31Å; F19-L382 HydrophobicContact CE2-CD1 3.5Å; F19-L382 HydrophobicContact CZ-CD1 4.32Å; S23-L382 VanDerWaalsContact OG-CD2 3.24Å; S23-L382 WeakPolarHBondContact OG-CD2 3.44Å; L28-L382 HydrophobicContact CB-CB 4.3Å; L28-L382 HydrophobicContact CB-CD2 3.75Å; L28-L382 HydrophobicContact CD2-CB 3.97Å; L364-L382 HydrophobicContact CB-CD2 4.35Å; L364-L382 HydrophobicContact CB-CG 4.34Å; L364-L382 PolarHBondContact N-O 3.23Å; S365-L382 PolarHBondContact N-O 3.36Å; S365-L382 PolarHBondContact O-N 3.43Å; L382-L387 HydrophobicContact CB-CD1 4.16Å
383T97.8Very high93.9Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-118.5167.8174.369.90000110.9F359 P362 V381 K385 G386F359-T383 HydrophobicContact CD1-CG2 4.43Å; P362-T383 CarbonylContact O-C 3.58Å; P362-T383 WeakPolarHBondContact O-CA 3.38Å; P362-T383 VanDerWaalsContact O-CB 3.26Å; P362-T383 WeakPolarHBondContact O-CB 3.24Å; V381-T383 HydrophobicContact CG1-CG2 4.35Å; T383-K385 PolarHBondContact O-N 2.93Å; T383-K385 PolarHBondContact OG1-N 2.85Å; T383-G386 PolarHBondContact N-O 2.75Å; T383-G386 PolarHBondContact O-N 2.78Å; T383-G386 PolarHBondContact OG1-N 3.02Å; T383-G386 PolarHBondContact OG1-O 2.85Å
384L95.1Very high93.7Very high28 Ų2833.3 Ų33.315%0.14718%0.175CC..THydrogen-bonded Turntrans-52.9-23.6172.7-78.4173.7000114.3Q22 Y331 S361 P362 L364Q22-L384 VanDerWaalsContact CA-O 3.28Å; Q22-L384 WeakPolarHBondContact CA-O 3.24Å; Q22-L384 HydrophobicContact CB-CD2 4.19Å; Q22-L384 HydrophobicContact CG-CD2 4.44Å; Y331-L384 HydrophobicContact CE2-CD1 4.21Å; S361-L384 WeakPolarHBondContact OG-CB 3.48Å; P362-L384 HydrophobicContact CB-CD1 3.77Å; P362-L384 HydrophobicContact CB-CG 4.09Å; P362-L384 HydrophobicContact CG-CD1 3.54Å; P362-L384 HydrophobicContact CG-CG 4.35Å; P362-L384 PolarHBondContact O-N 2.97Å; P362-L384 VanDerWaalsContact O-N 3.07Å; L364-L384 HydrophobicContact CD1-CD2 3.84Å; L364-L384 HydrophobicContact CD1-CG 4.09Å; L364-L384 HydrophobicContact CD2-CD2 4.03Å; L364-L384 HydrophobicContact CD2-CG 4.08Å; L364-L384 HydrophobicContact CG-CD2 4.4Å; L364-L384 HydrophobicContact CG-CG 4.3Å
385K93.1Very high93.6Very high107 Ų10732 Ų3247%0.46517%0.174SC..THydrogen-bonded Turntrans-103.9-12.8-175.4-69.8177.6-172.6159.90114.2F19 K360 T383F19-K385 PolarHBondContact N-O 3.16Å; K360-K385 PolarHBondContact O-NZ 2.81Å; K360-K385 VanDerWaalsContact O-NZ 3.07Å; T383-K385 PolarHBondContact O-N 2.93Å; T383-K385 PolarHBondContact OG1-N 2.85Å
386G95.8Very high93.4Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans157.8-176.5-170.100000113.7N17 T383N17-G386 CarbonylContact O-C 3.6Å; N17-G386 WeakPolarHBondContact O-CA 3.5Å; T383-G386 PolarHBondContact N-O 2.75Å; T383-G386 PolarHBondContact O-N 2.78Å; T383-G386 PolarHBondContact OG1-N 3.02Å; T383-G386 PolarHBondContact OG1-O 2.85Å
387L97.2Very high93.2Very high3 Ų331.5 Ų31.52%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-106.7124.1-176.4-17565.5000110.5F16 N17 F19 L28 F48 A380 L382 I389F16-L387 WeakPolarHBondContact CA-O 3.44Å; F16-L387 WeakPolarHBondContact CD2-O 3.38Å; N17-L387 PolarHBondContact N-O 2.82Å; N17-L387 PolarHBondContact O-N 2.97Å; F19-L387 HydrophobicContact CE1-CB 4.31Å; F19-L387 HydrophobicContact CE2-CB 4.46Å; F19-L387 HydrophobicContact CZ-CB 3.75Å; L28-L387 HydrophobicContact CD1-CD1 4.04Å; L28-L387 HydrophobicContact CD2-CD1 4.5Å; F48-L387 HydrophobicContact CB-CD2 4Å; F48-L387 HydrophobicContact CG-CD2 4.22Å; A380-L387 HydrophobicContact CB-CD1 4.26Å; L382-L387 HydrophobicContact CB-CD1 4.16Å; L387-I389 HydrophobicContact CD2-CD1 4.04Å; L387-I389 HydrophobicContact CG-CD1 4.02Å
388H97.4Very high93Very high18 Ų1827.6 Ų27.68%0.08316%0.16CC..EExtended strand (participates in β ladder)trans-96.7137.6169.6-64.9-97.4000109.5E13 F16 F359 A380 V381E13-H388 IonicContact OE1-CE1 3.7Å; E13-H388 PolarHBondContact OE1-CE1 2.71Å; E13-H388 IonicContact OE1-CG 3.67Å; E13-H388 IonicContact OE1-ND1 3.69Å; E13-H388 PolarHBondContact OE1-ND1 2.83Å; F16-H388 AromaticContact CD2-CD2 3.6Å; F16-H388 AromaticContact CD2-CE1 3.27Å; F16-H388 WeakPolarHBondContact CD2-CE1 3.4Å; F16-H388 AromaticContact CD2-CG 3.66Å; F16-H388 AromaticContact CD2-ND1 3.45Å; F16-H388 WeakPolarHBondContact CD2-ND1 3.4Å; F16-H388 AromaticContact CD2-NE2 3.37Å; F16-H388 WeakPolarHBondContact CD2-NE2 3.48Å; F16-H388 AromaticContact CE2-CD2 3.74Å; F16-H388 AromaticContact CE2-CE1 3.66Å; F16-H388 AromaticContact CE2-NE2 3.32Å; F16-H388 VanDerWaalsContact CE2-NE2 3.32Å; F16-H388 WeakPolarHBondContact CE2-NE2 3.46Å; F16-H388 AromaticContact CG-CE1 3.93Å; F359-H388 AromaticContact CD1-CD2 3.94Å; F359-H388 AromaticContact CD1-NE2 3.96Å; F359-H388 HydrophobicContact CE1-CB 4.2Å; F359-H388 AromaticContact CE1-CG 3.96Å; A380-H388 CarbonylContact C-O 3.58Å; A380-H388 WeakPolarHBondContact CA-O 3.28Å; V381-H388 HydrophobicContact CB-CB 4.3Å; V381-H388 PolarHBondContact N-O 3Å; V381-H388 PolarHBondContact O-N 2.89Å
389I96.8Very high92.7Very high0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-114123.9170.9-53.8-62.5000108.3D14 S15 L36 F48 Y50 L371 E378 A380 L387D14-I389 PolarHBondContact N-O 3.43Å; S15-I389 PolarHBondContact N-O 2.88Å; S15-I389 PolarHBondContact O-N 2.78Å; L36-I389 HydrophobicContact CD1-CD1 4.3Å; F48-I389 HydrophobicContact CD1-CD1 4.07Å; F48-I389 HydrophobicContact CD1-CG1 4.35Å; F48-I389 HydrophobicContact CD2-CG1 4.47Å; F48-I389 HydrophobicContact CE1-CD1 3.88Å; F48-I389 HydrophobicContact CE1-CG1 3.77Å; F48-I389 HydrophobicContact CE2-CG1 3.88Å; F48-I389 HydrophobicContact CG-CD1 4.5Å; F48-I389 HydrophobicContact CZ-CB 4.43Å; F48-I389 HydrophobicContact CZ-CD1 4.13Å; F48-I389 HydrophobicContact CZ-CG1 3.51Å; Y50-I389 WeakPolarHBondContact OH-CG2 3.38Å; L371-I389 HydrophobicContact CD1-CD1 4.01Å; L371-I389 HydrophobicContact CD1-CG2 4.19Å; E378-I389 HydrophobicContact CB-CG2 3.97Å; E378-I389 HydrophobicContact CG-CG2 4.23Å; A380-I389 HydrophobicContact CB-CD1 3.74Å; L387-I389 HydrophobicContact CD2-CD1 4.04Å; L387-I389 HydrophobicContact CG-CD1 4.02Å
390L95.3Very high92.2Very high1 Ų134.8 Ų34.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-116.7131.8-177.8-50.7-179.1000110F11 V12 E13 R357 F359 E378 L379 V381F11-L390 HydrophobicContact CB-CB 4Å; F11-L390 HydrophobicContact CB-CD1 4.42Å; F11-L390 HydrophobicContact CD1-CB 4.12Å; F11-L390 HydrophobicContact CG-CB 4.19Å; V12-L390 CarbonylContact O-C 3.59Å; V12-L390 VanDerWaalsContact O-CA 3.3Å; V12-L390 WeakPolarHBondContact O-CA 3.25Å; E13-L390 HydrophobicContact CB-CD2 3.95Å; E13-L390 HydrophobicContact CG-CD2 4.14Å; R357-L390 VanDerWaalsContact NH2-CD2 3.27Å; F359-L390 HydrophobicContact CZ-CD1 4.04Å; E378-L390 WeakPolarHBondContact CA-O 3.33Å; L379-L390 HydrophobicContact CB-CB 4.23Å; L379-L390 HydrophobicContact CD2-CD1 4.24Å; L379-L390 PolarHBondContact N-O 2.97Å; L379-L390 WeakPolarHBondContact O-CB 3.1Å; L379-L390 PolarHBondContact O-N 3.31Å; V381-L390 HydrophobicContact CG2-CD1 4.08Å
391Q92.9Very high91.8Very high44 Ų4438.2 Ų38.221%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-112.4148.2-179-80.8-176.2-30.800111.1F11 V12 D14 E378F11-Q391 CarbonylContact C-O 3.57Å; F11-Q391 VanDerWaalsContact CA-O 3.28Å; F11-Q391 WeakPolarHBondContact CA-O 3.5Å; V12-Q391 PolarHBondContact N-O 2.84Å; V12-Q391 PolarHBondContact O-N 2.98Å; D14-Q391 HydrophobicContact CB-CG 4.03Å; E378-Q391 HydrophobicContact CG-CG 3.46Å; E378-Q391 VanDerWaalsContact CG-CG 3.46Å; E378-Q391 PolarHBondContact OE1-NE2 3.33Å; E378-Q391 VanDerWaalsContact OE1-NE2 3.16Å
392H90.6Very high91.5Very high13 Ų1343.2 Ų43.26%0.0625%0.245CC..EExtended strand (participates in β ladder)trans-60.1146.6169.5-75.3-74.2000110.6F11 L318 F320 Y368 R377 L394F11-H392 AromaticContact CE1-CD2 3.8Å; F11-H392 AromaticContact CE1-CE1 3.59Å; F11-H392 AromaticContact CE1-CG 3.99Å; F11-H392 AromaticContact CE1-ND1 3.86Å; F11-H392 AromaticContact CE1-NE2 3.54Å; F11-H392 AromaticContact CZ-CE1 3.63Å; F11-H392 AromaticContact CZ-NE2 3.75Å; L318-H392 PolarHBondContact O-CE1 3.28Å; L318-H392 VanDerWaalsContact O-CE1 3.25Å; F320-H392 AromaticContact CE2-CE1 3.94Å; F320-H392 AromaticContact CZ-CD2 3.8Å; F320-H392 AromaticContact CZ-CE1 3.84Å; F320-H392 AromaticContact CZ-NE2 3.59Å; Y368-H392 AromaticContact CE2-NE2 3.9Å; Y368-H392 AromaticContact CZ-NE2 3.8Å; Y368-H392 PolarHBondContact OH-NE2 2.88Å; R377-H392 PolarHBondContact O-CD2 2.73Å; H392-L394 PolarHBondContact O-N 3.25Å
393S88Confident91.1Very high26 Ų2648.2 Ų48.218%0.18227%0.268CS..  trans-61.6108.4173.5176.90000110.6P10 S395 C396 T397P10-S393 PolarHBondContact O-N 2.88Å; S393-S395 PolarHBondContact O-N 3.19Å; S393-S395 VanDerWaalsContact O-N 3.1Å; S393-S395 PolarHBondContact OG-OG 2.86Å; S393-S395 VanDerWaalsContact OG-OG 3.08Å; S393-C396 PolarHBondContact O-N 2.75Å; S393-C396 PolarHBondContact OG-SG 3.12Å; S393-C396 VanDerWaalsContact OG-SG 3.38Å; S393-T397 PolarHBondContact O-N 2.77Å; S393-T397 PolarHBondContact O-OG1 2.89Å; S393-T397 VanDerWaalsContact O-OG1 3.09Å
394L85Confident90.6Very high119 Ų11953.1 Ų53.162%0.62329%0.287SS*.Hα-helixtrans-53.4-35.3-178.6-63.1179.1000113.5H392 A398H392-L394 PolarHBondContact O-N 3.25Å; L394-A398 WeakPolarHBondContact O-CB 3.42Å; L394-A398 PolarHBondContact O-N 2.93Å
395S85.3Confident90.4Very high74 Ų7456.6 Ų56.652%0.51731%0.305SS..Hα-helixtrans-66.2-47.7176.251.70000112S393 T397 A398 D399S393-S395 PolarHBondContact O-N 3.19Å; S393-S395 VanDerWaalsContact O-N 3.1Å; S393-S395 PolarHBondContact OG-OG 2.86Å; S393-S395 VanDerWaalsContact OG-OG 3.08Å; S395-T397 VanDerWaalsContact C-N 3.33Å; S395-T397 PolarHBondContact O-N 3.41Å; S395-A398 PolarHBondContact O-N 3.16Å; S395-D399 VanDerWaalsContact O-CG 3.32Å; S395-D399 PolarHBondContact O-N 2.91Å; S395-D399 VanDerWaalsContact O-N 3.09Å
396C83.9Confident90.4Very high80 Ų8055.8 Ų55.854%0.54131%0.309SS..Hα-helixtrans-66.6-40-179.8-56.30000110.8S393 D399 L400S393-C396 PolarHBondContact O-N 2.75Å; S393-C396 PolarHBondContact OG-SG 3.12Å; S393-C396 VanDerWaalsContact OG-SG 3.38Å; C396-D399 PolarHBondContact O-N 2.99Å; C396-L400 PolarHBondContact O-N 3.07Å
397T86.3Confident90.1Very high14 Ų1461.3 Ų61.39%0.08634%0.335CS..Hα-helixtrans-65.9-42.2177.5-52.40000111.7L376 S393 S395 D399 L400 V401L376-T397 HydrophobicContact CD1-CG2 3.83Å; L376-T397 HydrophobicContact CD2-CG2 3.68Å; L376-T397 HydrophobicContact CG-CG2 4.43Å; S393-T397 PolarHBondContact O-N 2.77Å; S393-T397 PolarHBondContact O-OG1 2.89Å; S393-T397 VanDerWaalsContact O-OG1 3.09Å; S395-T397 VanDerWaalsContact C-N 3.33Å; S395-T397 PolarHBondContact O-N 3.41Å; T397-D399 PolarHBondContact O-N 2.85Å; T397-L400 PolarHBondContact O-N 2.6Å; T397-V401 HydrophobicContact CG2-CG2 4.49Å; T397-V401 VanDerWaalsContact O-CG2 3.31Å; T397-V401 WeakPolarHBondContact O-CG2 3.46Å; T397-V401 PolarHBondContact O-N 2.92Å
398A87.6Confident89.7Confident48 Ų4870.1 Ų70.140%0.39737%0.368SS..Hα-helixtrans-61.4-43.8176.600000111.8L394 S395 L400 V401 L402L394-A398 WeakPolarHBondContact O-CB 3.42Å; L394-A398 PolarHBondContact O-N 2.93Å; S395-A398 PolarHBondContact O-N 3.16Å; A398-L400 VanDerWaalsContact C-N 3.35Å; A398-L400 PolarHBondContact O-N 2.82Å; A398-V401 PolarHBondContact O-N 2.85Å; A398-L402 WeakPolarHBondContact O-CB 3.47Å; A398-L402 VanDerWaalsContact O-CG 3.31Å; A398-L402 WeakPolarHBondContact O-CG 3.5Å; A398-L402 PolarHBondContact O-N 2.87Å
399D88Confident89.4Confident108 Ų10872.1 Ų72.158%0.57839%0.387SS*.Hα-helixtrans-60.4-44.4176.4-69.1-25.1000111.3S395 C396 T397 V401 L402 E403S395-D399 VanDerWaalsContact O-CG 3.32Å; S395-D399 PolarHBondContact O-N 2.91Å; S395-D399 VanDerWaalsContact O-N 3.09Å; C396-D399 PolarHBondContact O-N 2.99Å; T397-D399 PolarHBondContact O-N 2.85Å; D399-V401 PolarHBondContact O-N 3.14Å; D399-L402 PolarHBondContact O-N 2.87Å; D399-E403 PolarHBondContact O-N 2.87Å
400L87.1Confident89.1Confident46 Ų4675.5 Ų75.524%0.24141%0.411CS..Hα-helixtrans-63.3-41.7177.5-176.465.3000112.5F320 C396 T397 A398 E403 R404F320-L400 HydrophobicContact CB-CD2 4.1Å; F320-L400 HydrophobicContact CD2-CD2 3.72Å; F320-L400 HydrophobicContact CG-CD2 4.26Å; C396-L400 PolarHBondContact O-N 3.07Å; T397-L400 PolarHBondContact O-N 2.6Å; A398-L400 VanDerWaalsContact C-N 3.35Å; A398-L400 PolarHBondContact O-N 2.82Å; L400-E403 PolarHBondContact O-N 2.83Å; L400-R404 WeakPolarHBondContact O-CG 3.22Å; L400-R404 PolarHBondContact O-N 3.46Å
401V88.2Confident88.7Confident73 Ų7378.5 Ų78.544%0.44244%0.436SS..Hα-helixtrans-63.5-45.6176.31700000110.4T397 A398 D399 E403 R404 L405T397-V401 HydrophobicContact CG2-CG2 4.49Å; T397-V401 VanDerWaalsContact O-CG2 3.31Å; T397-V401 WeakPolarHBondContact O-CG2 3.46Å; T397-V401 PolarHBondContact O-N 2.92Å; A398-V401 PolarHBondContact O-N 2.85Å; D399-V401 PolarHBondContact O-N 3.14Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.02Å; V401-R404 PolarHBondContact O-N 3.49Å; V401-L405 HydrophobicContact CG1-CD1 3.84Å; V401-L405 HydrophobicContact CG1-CG 4.27Å; V401-L405 WeakPolarHBondContact O-CB 3.44Å; V401-L405 VanDerWaalsContact O-CG 3.3Å; V401-L405 WeakPolarHBondContact O-CG 3.45Å; V401-L405 PolarHBondContact O-N 2.92Å
402L91.6Very high88.4Confident105 Ų10582.3 Ų82.355%0.5546%0.457SS..Hα-helixtrans-60.6-42177-73.3170.8000112A398 D399 L405 T406A398-L402 WeakPolarHBondContact O-CB 3.47Å; A398-L402 VanDerWaalsContact O-CG 3.31Å; A398-L402 WeakPolarHBondContact O-CG 3.5Å; A398-L402 PolarHBondContact O-N 2.87Å; D399-L402 PolarHBondContact O-N 2.87Å; L402-L405 PolarHBondContact O-N 3.22Å; L402-T406 WeakPolarHBondContact O-CB 3.19Å; L402-T406 PolarHBondContact O-N 2.85Å; L402-T406 PolarHBondContact O-OG1 2.62Å
403E90.1Very high88Confident106 Ų10686 Ų8650%0.49549%0.49SS..Hα-helixtrans-60-49.5175.9-171.5-175.4168.300111.2D399 L400 V401 L405 T406 Q407D399-E403 PolarHBondContact O-N 2.87Å; L400-E403 PolarHBondContact O-N 2.83Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.02Å; E403-L405 PolarHBondContact O-N 2.83Å; E403-T406 WeakPolarHBondContact O-CB 3.43Å; E403-T406 PolarHBondContact O-N 2.78Å; E403-Q407 WeakPolarHBondContact O-CG 3.19Å; E403-Q407 PolarHBondContact O-N 3.23Å; E403-Q407 PolarHBondContact OE1-NE2 2.84Å
404R88.3Confident87.5Confident102 Ų10288.5 Ų88.539%0.38551%0.512SS..Hα-helixtrans-64.3-40.7179.6-71.9178.5-175.8-160.4-4.2112.8F320 L400 V401 T406 Q407 R408F320-R404 PolarHBondContact O-NH1 3.13Å; F320-R404 PolarHBondContact O-NH2 3.38Å; L400-R404 WeakPolarHBondContact O-CG 3.22Å; L400-R404 PolarHBondContact O-N 3.46Å; V401-R404 PolarHBondContact O-N 3.49Å; R404-T406 VanDerWaalsContact C-N 3.31Å; R404-Q407 PolarHBondContact O-N 3.06Å; R404-R408 WeakPolarHBondContact O-CG 3.08Å; R404-R408 PolarHBondContact O-N 2.97Å
405L90.9Very high86.1Confident102 Ų10286.2 Ų86.253%0.53451%0.506SS..Hα-helixtrans-62.5-41.3175.1-74174.5000110.9V401 L402 E403 R408 A409V401-L405 HydrophobicContact CG1-CD1 3.84Å; V401-L405 HydrophobicContact CG1-CG 4.27Å; V401-L405 WeakPolarHBondContact O-CB 3.44Å; V401-L405 VanDerWaalsContact O-CG 3.3Å; V401-L405 WeakPolarHBondContact O-CG 3.45Å; V401-L405 PolarHBondContact O-N 2.92Å; L402-L405 PolarHBondContact O-N 3.22Å; E403-L405 PolarHBondContact O-N 2.83Å; L405-R408 PolarHBondContact O-N 3.31Å; L405-A409 VanDerWaalsContact O-CB 3.3Å; L405-A409 WeakPolarHBondContact O-CB 3.3Å; L405-A409 PolarHBondContact O-N 3.02Å
406T92.9Very high84.6Confident90 Ų9088.5 Ų88.555%0.55252%0.519SS*.Hα-helixtrans-63.3-43.9176.6-56.50000111.4L402 E403 R404 A409 S410L402-T406 WeakPolarHBondContact O-CB 3.19Å; L402-T406 PolarHBondContact O-N 2.85Å; L402-T406 PolarHBondContact O-OG1 2.62Å; E403-T406 WeakPolarHBondContact O-CB 3.43Å; E403-T406 PolarHBondContact O-N 2.78Å; R404-T406 VanDerWaalsContact C-N 3.31Å; T406-A409 PolarHBondContact O-N 3.48Å; T406-S410 WeakPolarHBondContact O-CB 3.49Å; T406-S410 PolarHBondContact O-N 2.99Å; T406-S410 PolarHBondContact O-OG 2.92Å
407Q89.8Confident82.9Confident115 Ų11593 Ų9354%0.53753%0.532SS..Hα-helixtrans-62.3-44.5176-70.1175.48.100111.8E403 R404 S410 A411E403-Q407 WeakPolarHBondContact O-CG 3.19Å; E403-Q407 PolarHBondContact O-N 3.23Å; E403-Q407 PolarHBondContact OE1-NE2 2.84Å; R404-Q407 PolarHBondContact O-N 3.06Å; Q407-S410 PolarHBondContact O-N 3.03Å; Q407-A411 WeakPolarHBondContact O-CB 3.4Å; Q407-A411 PolarHBondContact O-N 3.28Å
408R88.4Confident81Confident189 Ų18998.3 Ų98.371%0.71357%0.567SS**Hα-helixtrans-65.9-43.4177.2-75.8-171.9176.2-161.40.4112.6R404 L405 S410 A411 L412R404-R408 WeakPolarHBondContact O-CG 3.08Å; R404-R408 PolarHBondContact O-N 2.97Å; L405-R408 PolarHBondContact O-N 3.31Å; R408-S410 VanDerWaalsContact C-N 3.28Å; R408-S410 PolarHBondContact O-N 3.27Å; R408-A411 PolarHBondContact O-N 2.73Å; R408-L412 WeakPolarHBondContact O-CG 3.48Å; R408-L412 PolarHBondContact O-N 2.79Å
409A90.8Very high78.8Confident59 Ų59103.7 Ų103.749%0.48859%0.589SS.*Hα-helixtrans-61.2-40.4176.400000111.3L405 T406 L412 A413L405-A409 VanDerWaalsContact O-CB 3.3Å; L405-A409 WeakPolarHBondContact O-CB 3.3Å; L405-A409 PolarHBondContact O-N 3.02Å; T406-A409 PolarHBondContact O-N 3.48Å; A409-L412 PolarHBondContact O-N 2.9Å; A409-A413 WeakPolarHBondContact O-CB 3.32Å; A409-A413 PolarHBondContact O-N 2.92Å
410S90.6Very high76.6Confident71 Ų71107.8 Ų107.850%0.49761%0.605SS.*Hα-helixtrans-66-40175.7-55.60000112.3T406 Q407 R408 A413 A414T406-S410 WeakPolarHBondContact O-CB 3.49Å; T406-S410 PolarHBondContact O-N 2.99Å; T406-S410 PolarHBondContact O-OG 2.92Å; Q407-S410 PolarHBondContact O-N 3.03Å; R408-S410 VanDerWaalsContact C-N 3.28Å; R408-S410 PolarHBondContact O-N 3.27Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A414 WeakPolarHBondContact O-CB 3.42Å; S410-A414 PolarHBondContact O-N 3.07Å; S410-A414 VanDerWaalsContact O-N 3.13Å
411A87.3Confident74.3Confident64 Ų64110.4 Ų110.453%0.52963%0.633SS.*Hα-helixtrans-66.4-39.6176.500000112.6Q407 R408 A414 S415Q407-A411 WeakPolarHBondContact O-CB 3.4Å; Q407-A411 PolarHBondContact O-N 3.28Å; R408-A411 PolarHBondContact O-N 2.73Å; A411-A414 PolarHBondContact O-N 3.09Å; A411-S415 PolarHBondContact O-N 2.95Å
412L84.9Confident71.8Confident125 Ų125111.3 Ų111.365%0.65465%0.648SS**Hα-helixtrans-68.3-36.9175.3-74.3164000112.3R408 A409 A414 S415R408-L412 WeakPolarHBondContact O-CG 3.48Å; R408-L412 PolarHBondContact O-N 2.79Å; A409-L412 PolarHBondContact O-N 2.9Å; L412-A414 PolarHBondContact O-N 3.25Å; L412-S415 PolarHBondContact O-N 3.46Å; L412-S415 PolarHBondContact O-OG 3.46Å
413A82.9Confident69.1Low90 Ų90114 Ų11474%0.74466%0.663SS**Hα-helixtrans-68.9-19.8173.300000112.9A409 S410A409-A413 WeakPolarHBondContact O-CB 3.32Å; A409-A413 PolarHBondContact O-N 2.92Å; S410-A413 PolarHBondContact O-N 2.98Å
414A77.1Confident66.7Low79 Ų79115.7 Ų115.765%0.65368%0.68SS**Hα-helixtrans-93.6-9.617900000114S410 A411 L412 P416S410-A414 WeakPolarHBondContact O-CB 3.42Å; S410-A414 PolarHBondContact O-N 3.07Å; S410-A414 VanDerWaalsContact O-N 3.13Å; A411-A414 PolarHBondContact O-N 3.09Å; L412-A414 PolarHBondContact O-N 3.25Å; A414-P416 WeakPolarHBondContact O-CD 3.49Å
415S55.9Low64.2Low70 Ų70119.7 Ų119.749%0.4970%0.703SS.*SBendtrans-83.8115.8169.8500000109.8A411 L412A411-S415 PolarHBondContact O-N 2.95Å; L412-S415 PolarHBondContact O-N 3.46Å; L412-S415 PolarHBondContact O-OG 3.46Å
416P53.2Low61.5Low122 Ų122122.2 Ų122.279%0.79272%0.717SS**PPolyproline II helixtrans-68.4140.4177.127.3-31.2000110.4A414A414-P416 WeakPolarHBondContact O-CD 3.49Å
417E49Very low58.7Low174 Ų174122.3 Ų122.381%0.81372%0.722SS**PPolyproline II helixtrans-60.3146.1168.6-65-143.7156.700110.3D419E417-D419 PolarHBondContact O-N 2.55Å
418P46.6Very low56Low126 Ų126122.1 Ų122.182%0.81873%0.733SS**PPolyproline II helixtrans-64.4123.717225.8-29.8000109.4E420P418-E420 PolarHBondContact O-N 2.71Å
419D41.1Very low53.4Low161 Ų161117.6 Ų117.686%0.86174%0.736SS**  trans-41.8128.1-176.3-74.9-46.7000113.6E417 A421E417-D419 PolarHBondContact O-N 2.55Å; D419-A421 PolarHBondContact O-N 3.12Å; D419-A421 VanDerWaalsContact O-N 3.14Å
420E42Very low51.2Low194 Ų194120.6 Ų120.691%0.90775%0.751SS**  trans-51.2114.7161.1-72.2-179.6145.700109P418 A422P418-E420 PolarHBondContact O-N 2.71Å; E420-A422 PolarHBondContact O-N 2.87Å; E420-A422 VanDerWaalsContact O-N 3.1Å
421A37.9Very low48.4Very low101 Ų101121.3 Ų121.384%0.83576%0.761SS**  trans-62.3115.1172.500000109.1D419D419-A421 PolarHBondContact O-N 3.12Å; D419-A421 VanDerWaalsContact O-N 3.14Å
422A37Very low45.8Very low92 Ų92126.8 Ų126.876%0.7678%0.775SS**  trans-51.5138.2178.100000113.3E420 V424E420-A422 PolarHBondContact O-N 2.87Å; E420-A422 VanDerWaalsContact O-N 3.1Å; A422-V424 PolarHBondContact O-N 3.41Å
423D35.1Very low43.2Very low162 Ų162125.6 Ų125.687%0.86678%0.777SS**  trans-43.8127.2164.1-70.3-53.9000112.4
424V39Very low40.9Very low142 Ų142129.6 Ų129.686%0.86178%0.781SS**  trans-112.6107.1150.4177.90000106.6A422 D426A422-V424 PolarHBondContact O-N 3.41Å; V424-D426 PolarHBondContact O-N 3.43Å
425E36.8Very low38.7Very low186 Ų186134.8 Ų134.887%0.86979%0.792SS**  trans-54.9127.4166.4-67.7-180141.600110.2
426D34.1Very low37.4Very low155 Ų155135.2 Ų135.283%0.82981%0.807SS**  trans-141.5157.5143.9-145-11.1000110.7V424V424-D426 PolarHBondContact O-N 3.43Å
427S34.2Very low36.2Very low91 Ų91133 Ų13364%0.63681%0.807SS**  trans-104.8153.7-131.447.70000115.2
428S32.8Very low35.5Very low111 Ų111131.1 Ų131.178%0.77680%0.802SS**  trans67.994.4151.260.20000121.6
429A33.1Very low35Very low95 Ų95132.3 Ų132.379%0.78580%0.797SS**  11.2165.3125.800000122.4
430P45.1Very low34.7Very low122 Ų122130.2 Ų130.279%0.79279%0.79SS**  cis-140.9179.2-3135.7-16000115.2
431A31.1Very low34.3Very low85 Ų85125.8 Ų125.870%0.70278%0.78SS**  trans103.5124.213800000120.8
432Q33.1Very low34.2Very low179 Ų179127.3 Ų127.384%0.83678%0.78SS**  trans87.697.2140.6-72.8175.92.900120.9
433S30.4Very low34.5Very low100 Ų100133 Ų13370%0.69981%0.812SS**  30.4118.6117.159.90000119.9
434Q35Very low34.5Very low175 Ų175131.6 Ų131.682%0.81881%0.809SS**  172.1116.4123.6-96.5173.5-15.800107.8
435E30.2Very low34.3Very low188 Ų188131.1 Ų131.188%0.87981%0.806SS**  56.8121.697.4-88-171.616000114.7
436G28.5Very low34.1Very low79 Ų79128 Ų12881%0.81480%0.803SS**  trans128.1102.4144.800000116.4
437G28.6Very low34.1Very low76 Ų76126.4 Ų126.478%0.78480%0.801SS**  trans64.5120.2131.600000119.3
438D34.5Very low34.1Very low133 Ų133128.6 Ų128.671%0.71181%0.811SS**  -179.7133.191.4-116.9-2.4000108.4
439Q35.9Very low34.2Very low151 Ų151129.8 Ų129.871%0.70681%0.814SS**  57.9133.9102.7-69.6-173.550.100113.2
440T33.9Very low34.3Very low117 Ų117132.3 Ų132.372%0.71882%0.816SS**  cis-177.8170.324.812.40000109.1
441S34.9Very low33.5Very low102 Ų102133.1 Ų133.171%0.71382%0.818SS**  trans93.3103.4160.876.20000116.9
442T35.6Very low33.7Very low133 Ų133137.1 Ų137.182%0.81683%0.827SS**  49.199.76861.60000114.7
443C43.6Very low33.7Very low212 Ų212133.3 Ų133.3100%1.43283%0.826SS**  -153.20110.9-98.90000109.1

Retrieved 443 of 443 residues in 78.9 ms (Link to these results)