A0A3Q0KKL3_SCHMA Loading...

Venom allergen-like (VAL) 6 protein

AlphaFold DB , UniProt , Accession A0A3Q0KKL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.1Confident96.3Very high191 Ų19169.7 Ų69.794%0.94133%0.327SS*.  0139.70174.9-174.4-80.400107.4Q37 E41M1-Q37 VanDerWaalsContact O-CD 3.27Å; M1-Q37 WeakPolarHBondContact O-CG 3.29Å; M1-Q37 PolarHBondContact O-NE2 2.68Å; M1-E41 PolarHBondContact N-OE1 3.1Å
2I95.3Very high96.5Very high48 Ų4877.5 Ų77.525%0.24635%0.351CS..  trans-70.6137.9-177.9-48.4174.1000110.1M33 I34I2-M33 HydrophobicContact CD1-CB 4.21Å; I2-M33 HydrophobicContact CG2-CB 4.14Å; I2-M33 HydrophobicContact CG2-CE 3.68Å; I2-I34 HydrophobicContact CD1-CG1 3.62Å; I2-I34 HydrophobicContact CG1-CG1 4.36Å
3N96.1Very high96.6Very high63 Ų6372.5 Ų72.534%0.33733%0.328SS..  trans-95.795.2171.7-172.7-26.5000109.8F6 N7N3-F6 HydrophobicContact CB-CB 3.88Å; N3-F6 VanDerWaalsContact CG-CB 3.42Å; N3-F6 PolarHBondContact O-N 2.95Å; N3-F6 WeakPolarHBondContact OD1-CB 3.2Å; N3-F6 PolarHBondContact OD1-N 3.48Å; N3-N7 PolarHBondContact O-N 2.93Å; N3-N7 VanDerWaalsContact O-N 3.13Å; N3-N7 PolarHBondContact O-ND2 3.3Å
4E96.9Very high96.7Very high144 Ų14467.3 Ų67.367%0.67331%0.305SS*.Hα-helixtrans-58.7-51.3-178.7-66.4174.5178.100111.7F6 N7 D8E4-F6 PolarHBondContact O-N 3.16Å; E4-F6 VanDerWaalsContact O-N 3.17Å; E4-N7 CarbonylContact O-C 3.58Å; E4-N7 WeakPolarHBondContact O-CA 3.21Å; E4-N7 WeakPolarHBondContact O-CB 3.46Å; E4-N7 PolarHBondContact O-N 3.16Å; E4-D8 PolarHBondContact O-N 3.07Å
5R97.6Very high96.8Very high186 Ų18664.1 Ų64.170%0.70229%0.292SS*.Hα-helixtrans-56-37.6179-179.3179.5176.7-178.71.6112.8Q9R5-Q9 VanDerWaalsContact O-CG 3.29Å; R5-Q9 WeakPolarHBondContact O-CG 3.37Å; R5-Q9 PolarHBondContact O-N 3.26Å; R5-Q9 VanDerWaalsContact O-N 3.11Å
6F98Very high96.9Very high4 Ų465.3 Ų65.32%0.01829%0.293CS..Hα-helixtrans-68.1-42.2176.1-178.1-94.7000111.6N3 E4 Q9 A10 I72 T73 G74 V77 F114 L116 V127N3-F6 HydrophobicContact CB-CB 3.88Å; N3-F6 VanDerWaalsContact CG-CB 3.42Å; N3-F6 PolarHBondContact O-N 2.95Å; N3-F6 WeakPolarHBondContact OD1-CB 3.2Å; N3-F6 PolarHBondContact OD1-N 3.48Å; E4-F6 PolarHBondContact O-N 3.16Å; E4-F6 VanDerWaalsContact O-N 3.17Å; F6-Q9 PolarHBondContact O-N 3.25Å; F6-A10 WeakPolarHBondContact O-CB 3.23Å; F6-A10 PolarHBondContact O-N 3.14Å; F6-I72 HydrophobicContact CE2-CG2 4.44Å; F6-T73 VanDerWaalsContact CE2-C 3.46Å; F6-G74 VanDerWaalsContact CE2-N 3.33Å; F6-V77 HydrophobicContact CE2-CG2 4.37Å; F6-V77 HydrophobicContact CZ-CG2 4.11Å; F6-F114 HydrophobicContact CD1-CB 4.2Å; F6-F114 HydrophobicContact CE1-CB 3.98Å; F6-L116 HydrophobicContact CD1-CB 4.07Å; F6-L116 HydrophobicContact CD2-CB 4.36Å; F6-L116 HydrophobicContact CD2-CD2 3.64Å; F6-L116 HydrophobicContact CE1-CB 4.05Å; F6-L116 HydrophobicContact CE2-CB 4.34Å; F6-L116 HydrophobicContact CE2-CD2 3.89Å; F6-L116 HydrophobicContact CG-CB 4.23Å; F6-L116 HydrophobicContact CG-CD2 4.11Å; F6-L116 HydrophobicContact CZ-CB 4.19Å; F6-V127 HydrophobicContact CE1-CG1 4.03Å; F6-V127 HydrophobicContact CZ-CB 4.49Å; F6-V127 HydrophobicContact CZ-CG1 3.71Å; F6-V127 HydrophobicContact CZ-CG2 3.89Å
7N98.4Very high96.9Very high1 Ų161.4 Ų61.41%0.00528%0.276CS..Hα-helixtrans-62.8-44.7174.6-83-86.5000111.9N3 E4 Q9 A10 I11 L28 M33 F114N3-N7 PolarHBondContact O-N 2.93Å; N3-N7 VanDerWaalsContact O-N 3.13Å; N3-N7 PolarHBondContact O-ND2 3.3Å; E4-N7 CarbonylContact O-C 3.58Å; E4-N7 WeakPolarHBondContact O-CA 3.21Å; E4-N7 WeakPolarHBondContact O-CB 3.46Å; E4-N7 PolarHBondContact O-N 3.16Å; N7-Q9 VanDerWaalsContact C-N 3.3Å; N7-Q9 PolarHBondContact O-N 2.7Å; N7-A10 PolarHBondContact O-N 3.04Å; N7-I11 WeakPolarHBondContact O-CG2 3.49Å; N7-I11 PolarHBondContact O-N 2.64Å; N7-L28 HydrophobicContact CB-CD1 4.03Å; N7-L28 HydrophobicContact CB-CD2 4.06Å; N7-M33 HydrophobicContact CB-CE 4.16Å; N7-M33 WeakPolarHBondContact OD1-CG 3.33Å; N7-F114 PolarHBondContact ND2-O 2.85Å; N7-F114 WeakPolarHBondContact OD1-CA 3.08Å; N7-F114 WeakPolarHBondContact OD1-CB 3.45Å; N7-F114 WeakPolarHBondContact OD1-CD2 2.88Å; N7-F114 PolarHBondContact OD1-N 3.39Å; N7-F114 PolarHBondContact OD1-O 3.12Å
8D98.3Very high96.9Very high79 Ų7958.1 Ų58.142%0.42226%0.26SS..Hα-helixtrans-61.1-36.5176.3-71.5-22.4000112.8E4 R12E4-D8 PolarHBondContact O-N 3.07Å; D8-R12 WeakPolarHBondContact O-CB 3.34Å; D8-R12 VanDerWaalsContact O-CG 3.25Å; D8-R12 WeakPolarHBondContact O-CG 3.46Å; D8-R12 PolarHBondContact O-N 3.24Å; D8-R12 PolarHBondContact O-NE 3.22Å
9Q98.2Very high96.9Very high33 Ų3358.5 Ų58.515%0.15427%0.271CS..Hα-helixtrans-70.2-46.2173.9-74.8174.7-22.800111.2R5 F6 N7 E13R5-Q9 VanDerWaalsContact O-CG 3.29Å; R5-Q9 WeakPolarHBondContact O-CG 3.37Å; R5-Q9 PolarHBondContact O-N 3.26Å; R5-Q9 VanDerWaalsContact O-N 3.11Å; F6-Q9 PolarHBondContact O-N 3.25Å; N7-Q9 VanDerWaalsContact C-N 3.3Å; N7-Q9 PolarHBondContact O-N 2.7Å; Q9-E13 PolarHBondContact O-N 3.33Å; Q9-E13 VanDerWaalsContact O-N 3.15Å
10A98.2Very high96.8Very high2 Ų255.8 Ų55.82%0.01726%0.259CS..Hα-helixtrans-64-48.3-178.700000112.1F6 N7 E13 H14 S78 F114F6-A10 WeakPolarHBondContact O-CB 3.23Å; F6-A10 PolarHBondContact O-N 3.14Å; N7-A10 PolarHBondContact O-N 3.04Å; A10-E13 PolarHBondContact O-N 3.45Å; A10-H14 WeakPolarHBondContact O-CB 3.48Å; A10-H14 PolarHBondContact O-N 3.33Å; A10-H14 PolarHBondContact O-ND1 2.86Å; A10-S78 PolarHBondContact O-OG 3.43Å; A10-F114 HydrophobicContact CB-CB 4.39Å; A10-F114 HydrophobicContact CB-CD1 4.05Å; A10-F114 HydrophobicContact CB-CD2 3.51Å; A10-F114 HydrophobicContact CB-CE1 4.21Å; A10-F114 HydrophobicContact CB-CE2 3.67Å; A10-F114 HydrophobicContact CB-CG 3.71Å; A10-F114 HydrophobicContact CB-CZ 4.03Å
11I98.6Very high96.7Very high16 Ų1653.1 Ų53.18%0.08225%0.246CC..Hα-helixtrans-66.5-40.4-177.9-160.573.7000112.1N7 H14 N15 L26 L28 A112 F114N7-I11 WeakPolarHBondContact O-CG2 3.49Å; N7-I11 PolarHBondContact O-N 2.64Å; I11-H14 PolarHBondContact O-N 3.2Å; I11-N15 WeakPolarHBondContact O-CB 3.32Å; I11-N15 VanDerWaalsContact O-CG 3.28Å; I11-N15 PolarHBondContact O-N 3.2Å; I11-L26 HydrophobicContact CD1-CB 3.66Å; I11-L28 HydrophobicContact CB-CD1 4.3Å; I11-L28 HydrophobicContact CB-CD2 3.97Å; I11-L28 HydrophobicContact CB-CG 3.89Å; I11-L28 HydrophobicContact CD1-CD2 4.08Å; I11-L28 HydrophobicContact CD1-CG 4.18Å; I11-L28 HydrophobicContact CG1-CD2 4.22Å; I11-L28 HydrophobicContact CG1-CG 3.92Å; I11-L28 HydrophobicContact CG2-CD1 3.89Å; I11-L28 HydrophobicContact CG2-CD2 4.46Å; I11-L28 HydrophobicContact CG2-CG 3.97Å; I11-A112 HydrophobicContact CD1-CB 4.25Å; I11-F114 HydrophobicContact CB-CE2 4.29Å; I11-F114 HydrophobicContact CD1-CE2 4.11Å
12R98.3Very high97.3Very high163 Ų16345.7 Ų45.762%0.61522%0.218SC*.Hα-helixtrans-63.6-43.6177.6-76.9-176.6-65.6154-1.4111.5D8 N15 R16D8-R12 WeakPolarHBondContact O-CB 3.34Å; D8-R12 VanDerWaalsContact O-CG 3.25Å; D8-R12 WeakPolarHBondContact O-CG 3.46Å; D8-R12 PolarHBondContact O-N 3.24Å; D8-R12 PolarHBondContact O-NE 3.22Å; R12-N15 PolarHBondContact O-N 3.02Å; R12-R16 WeakPolarHBondContact O-CB 3.39Å; R12-R16 PolarHBondContact O-N 2.67Å
13E97.9Very high97.3Very high12 Ų1243.8 Ų43.86%0.05621%0.21CC..Hα-helixtrans-72.4-37.4178.6-175.662.6174.500112Q9 A10 N15 R16 L17 E75 Q79Q9-E13 PolarHBondContact O-N 3.33Å; Q9-E13 VanDerWaalsContact O-N 3.15Å; A10-E13 PolarHBondContact O-N 3.45Å; E13-N15 VanDerWaalsContact C-N 3.33Å; E13-N15 PolarHBondContact O-N 2.83Å; E13-R16 PolarHBondContact O-N 3.39Å; E13-R16 IonicContact OE1-CZ 2.79Å; E13-R16 IonicContact OE1-NE 3.39Å; E13-R16 PolarHBondContact OE1-NE 3.04Å; E13-R16 IonicContact OE1-NH2 2.74Å; E13-R16 PolarHBondContact OE1-NH2 3.42Å; E13-R16 IonicContact OE2-CZ 3.72Å; E13-R16 IonicContact OE2-NE 3.7Å; E13-R16 PolarHBondContact OE2-NE 2.79Å; E13-R16 IonicContact OE2-NH2 3.32Å; E13-L17 HydrophobicContact CG-CD1 3.81Å; E13-L17 HydrophobicContact CG-CG 4.38Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 WeakPolarHBondContact O-CD1 3.14Å; E13-L17 WeakPolarHBondContact O-CG 3.06Å; E13-L17 PolarHBondContact O-N 2.96Å; E13-E75 HydrophobicContact CB-CB 4.34Å; E13-E75 HydrophobicContact CB-CG 4.18Å; E13-E75 HydrophobicContact CG-CB 4.46Å; E13-E75 HydrophobicContact CG-CG 3.93Å; E13-Q79 HydrophobicContact CG-CG 4.11Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.35Å; E13-Q79 PolarHBondContact OE1-NE2 2.89Å
14H98.1Very high97.4Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-56-47.2168.9-83.366000111.5A10 I11 L17 R18 L26 S78 W81 F114 Y131A10-H14 WeakPolarHBondContact O-CB 3.48Å; A10-H14 PolarHBondContact O-N 3.33Å; A10-H14 PolarHBondContact O-ND1 2.86Å; I11-H14 PolarHBondContact O-N 3.2Å; H14-L17 PolarHBondContact O-N 2.95Å; H14-R18 VanDerWaalsContact O-CB 3.3Å; H14-R18 WeakPolarHBondContact O-CB 3.34Å; H14-R18 WeakPolarHBondContact O-CG 3.35Å; H14-R18 PolarHBondContact O-N 3.12Å; H14-L26 HydrophobicContact CB-CD1 4.41Å; H14-S78 PolarHBondContact CE1-OG 3.3Å; H14-S78 PolarHBondContact ND1-OG 2.95Å; H14-W81 AromaticContact CE1-CE3 3.87Å; H14-W81 AromaticContact CE1-CZ3 3.83Å; H14-W81 AromaticContact NE2-CE3 3.98Å; H14-F114 AromaticContact CD2-CZ 3.98Å; H14-F114 AromaticContact CE1-CE1 3.38Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.21Å; H14-F114 AromaticContact CE1-CZ 3.53Å; H14-F114 AromaticContact ND1-CZ 3.73Å; H14-F114 AromaticContact NE2-CE1 3.53Å; H14-F114 AromaticContact NE2-CZ 3.68Å; H14-Y131 AromaticContact CD2-CE1 3.87Å; H14-Y131 AromaticContact NE2-CE1 3.68Å; H14-Y131 AromaticContact NE2-CZ 3.69Å; H14-Y131 PolarHBondContact NE2-OH 3.03Å
15N98.4Very high97.5Very high20 Ų2044.3 Ų44.311%0.10722%0.216CC..Hα-helixtrans-69.5-39.5-178.2-71.5-9.7000112I11 R12 E13 L17 R18 S19 E25 L26I11-N15 WeakPolarHBondContact O-CB 3.32Å; I11-N15 VanDerWaalsContact O-CG 3.28Å; I11-N15 PolarHBondContact O-N 3.2Å; R12-N15 PolarHBondContact O-N 3.02Å; E13-N15 VanDerWaalsContact C-N 3.33Å; E13-N15 PolarHBondContact O-N 2.83Å; N15-L17 PolarHBondContact O-N 2.99Å; N15-R18 PolarHBondContact O-N 2.53Å; N15-S19 PolarHBondContact O-N 3.22Å; N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å; N15-L26 PolarHBondContact ND2-O 3.46Å; N15-L26 PolarHBondContact OD1-N 2.8Å
16R97.3Very high97.5Very high82 Ų8235.6 Ų35.631%0.30918%0.184SC..Hα-helixtrans-56.1-51.1170.3-169.6-169.771.284.7-4.1110.8R12 E13 S19 L204R12-R16 WeakPolarHBondContact O-CB 3.39Å; R12-R16 PolarHBondContact O-N 2.67Å; E13-R16 PolarHBondContact O-N 3.39Å; E13-R16 IonicContact OE1-CZ 2.79Å; E13-R16 IonicContact OE1-NE 3.39Å; E13-R16 PolarHBondContact OE1-NE 3.04Å; E13-R16 IonicContact OE1-NH2 2.74Å; E13-R16 PolarHBondContact OE1-NH2 3.42Å; E13-R16 IonicContact OE2-CZ 3.72Å; E13-R16 IonicContact OE2-NE 3.7Å; E13-R16 PolarHBondContact OE2-NE 2.79Å; E13-R16 IonicContact OE2-NH2 3.32Å; R16-S19 WeakPolarHBondContact O-CB 3.26Å; R16-S19 PolarHBondContact O-N 3.22Å; R16-S19 PolarHBondContact O-OG 3Å; R16-L204 PolarHBondContact NH1-O 2.81Å; R16-L204 PolarHBondContact NH2-O 3.06Å
17L96.7Very high97.5Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-67.3-37.3-178.5-68.6167.9000112.6E13 H14 N15 S19 L20 H21 Y82 M104 L206E13-L17 HydrophobicContact CG-CD1 3.81Å; E13-L17 HydrophobicContact CG-CG 4.38Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 WeakPolarHBondContact O-CD1 3.14Å; E13-L17 WeakPolarHBondContact O-CG 3.06Å; E13-L17 PolarHBondContact O-N 2.96Å; H14-L17 PolarHBondContact O-N 2.95Å; N15-L17 PolarHBondContact O-N 2.99Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.13Å; L17-L20 HydrophobicContact CD2-CD1 4.08Å; L17-L20 WeakPolarHBondContact O-CB 3.17Å; L17-L20 PolarHBondContact O-N 3.36Å; L17-H21 PolarHBondContact O-CD2 3.41Å; L17-Y82 HydrophobicContact CB-CD2 3.79Å; L17-Y82 HydrophobicContact CB-CE2 3.96Å; L17-Y82 HydrophobicContact CB-CG 4.34Å; L17-Y82 HydrophobicContact CD1-CD1 4.49Å; L17-Y82 HydrophobicContact CD1-CD2 4.13Å; L17-Y82 HydrophobicContact CD1-CG 3.87Å; L17-Y82 HydrophobicContact CD2-CD1 3.78Å; L17-Y82 HydrophobicContact CD2-CD2 4.05Å; L17-Y82 HydrophobicContact CD2-CE1 3.87Å; L17-Y82 HydrophobicContact CD2-CE2 4.16Å; L17-Y82 HydrophobicContact CD2-CG 3.86Å; L17-Y82 HydrophobicContact CG-CD2 4.21Å; L17-Y82 HydrophobicContact CG-CG 4.25Å; L17-M104 HydrophobicContact CD1-CE 3.79Å; L17-L206 HydrophobicContact CD2-CD2 4.46Å
18R97.8Very high97.5Very high1 Ų145 Ų450%0.00423%0.229CC..Hα-helixtrans-64.2-35.7173.5-77.3173.869.694.9-7.5112.9H14 N15 L20 H21 G22 C23 P24 M104 I105 W106 T109H14-R18 VanDerWaalsContact O-CB 3.3Å; H14-R18 WeakPolarHBondContact O-CB 3.34Å; H14-R18 WeakPolarHBondContact O-CG 3.35Å; H14-R18 PolarHBondContact O-N 3.12Å; N15-R18 PolarHBondContact O-N 2.53Å; R18-L20 PolarHBondContact O-N 3.32Å; R18-H21 PolarHBondContact O-N 3.07Å; R18-G22 PolarHBondContact O-N 2.86Å; R18-C23 HydrophobicContact CB-CB 4.06Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.2Å; R18-C23 VanDerWaalsContact O-N 3.08Å; R18-P24 PolarHBondContact NE-O 2.97Å; R18-P24 PolarHBondContact NH2-O 2.95Å; R18-M104 VanDerWaalsContact CD-O 3.31Å; R18-M104 WeakPolarHBondContact CD-O 3.34Å; R18-M104 WeakPolarHBondContact CG-O 3.45Å; R18-M104 PolarHBondContact NH1-O 2.93Å; R18-I105 HydrophobicContact CG-CG2 4.42Å; R18-W106 PolarHBondContact NH1-O 3.11Å; R18-W106 PolarHBondContact NH2-O 3.46Å; R18-T109 PolarHBondContact NH2-O 3.26Å
19S96.7Very high97.5Very high66 Ų6642.2 Ų42.246%0.46221%0.214SC..Hα-helixtrans-60.1-33.3177.4810000112.5N15 R16 L17 H21 G22N15-S19 PolarHBondContact O-N 3.22Å; R16-S19 WeakPolarHBondContact O-CB 3.26Å; R16-S19 PolarHBondContact O-N 3.22Å; R16-S19 PolarHBondContact O-OG 3Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 3.13Å; S19-H21 PolarHBondContact O-N 3.35Å; S19-H21 VanDerWaalsContact O-N 3.16Å; S19-G22 PolarHBondContact O-N 3.26Å
20L95.5Very high97.5Very high5 Ų547.3 Ų47.33%0.02624%0.238CC..THydrogen-bonded Turntrans-64.8-16.3176.7-55.3175.8000113.5L17 R18 Y147 Q148 I150 L204L17-L20 HydrophobicContact CD2-CD1 4.08Å; L17-L20 WeakPolarHBondContact O-CB 3.17Å; L17-L20 PolarHBondContact O-N 3.36Å; R18-L20 PolarHBondContact O-N 3.32Å; L20-Y147 HydrophobicContact CB-CD2 3.95Å; L20-Y147 HydrophobicContact CB-CE2 3.76Å; L20-Y147 HydrophobicContact CD1-CE2 4.18Å; L20-Y147 HydrophobicContact CD2-CE2 4.33Å; L20-Y147 HydrophobicContact CG-CE2 4.3Å; L20-Q148 PolarHBondContact O-N 3.48Å; L20-I150 HydrophobicContact CD2-CG1 3.7Å; L20-L204 HydrophobicContact CD1-CD2 3.92Å
21H95.2Very high97.4Very high0 Ų053.1 Ų53.10%027%0.269CS..THydrogen-bonded Turntrans-110.11.6177.6-70.1-93.6000112.4L17 R18 S19 C23 Y82 F101 I105 P145 Q148L17-H21 PolarHBondContact O-CD2 3.41Å; R18-H21 PolarHBondContact O-N 3.07Å; S19-H21 PolarHBondContact O-N 3.35Å; S19-H21 VanDerWaalsContact O-N 3.16Å; H21-C23 PolarHBondContact O-N 3.07Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.48Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.49Å; H21-Y82 AromaticContact NE2-CZ 3.49Å; H21-Y82 PolarHBondContact NE2-OH 3.1Å; H21-F101 AromaticContact CE1-CE2 3.92Å; H21-F101 AromaticContact CE1-CZ 3.74Å; H21-F101 AromaticContact NE2-CE2 3.82Å; H21-I105 HydrophobicContact CB-CD1 4.3Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.34Å; H21-P145 HydrophobicContact CB-CG 4.22Å; H21-P145 PolarHBondContact ND1-O 3.08Å; H21-P145 VanDerWaalsContact O-CG 3.23Å; H21-P145 WeakPolarHBondContact O-CG 3.1Å; H21-Q148 PolarHBondContact O-NE2 3.29Å
22G95Very high97.4Very high34 Ų3452.8 Ų52.835%0.35127%0.267SS..THydrogen-bonded Turntrans67.222.2-173.900000113.9R18 S19R18-G22 PolarHBondContact O-N 2.86Å; S19-G22 PolarHBondContact O-N 3.26Å
23C97Very high97.4Very high9 Ų946.1 Ų46.16%0.06124%0.243CC..PPolyproline II helixtrans-84.1142.1176.9-690000111.1R18 H21 I105 P145R18-C23 HydrophobicContact CB-CB 4.06Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.2Å; R18-C23 VanDerWaalsContact O-N 3.08Å; H21-C23 PolarHBondContact O-N 3.07Å; C23-I105 PolarHBondContact SG-O 3.41Å; C23-P145 WeakPolarHBondContact SG-CG 3.38Å
24P97.5Very high97.3Very high74 Ų7449.4 Ų49.448%0.48126%0.261SS..PPolyproline II helixtrans-59.1152.5176-22.633.4000112.4R18R18-P24 PolarHBondContact NE-O 2.97Å; R18-P24 PolarHBondContact NH2-O 2.95Å
25E98.2Very high97.3Very high143 Ų14351.2 Ų51.267%0.66827%0.273SS*.PPolyproline II helixtrans-63.1145.6175.7-64.6-168.5146.200112.4N15N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å
26L98.6Very high97.2Very high4 Ų450.2 Ų50.22%0.02127%0.268CS..PPolyproline II helixtrans-85.4142.2168.6-61.7175.7000109.8I11 H14 N15 T109 T110 A112 Y131I11-L26 HydrophobicContact CD1-CB 3.66Å; H14-L26 HydrophobicContact CB-CD1 4.41Å; N15-L26 PolarHBondContact ND2-O 3.46Å; N15-L26 PolarHBondContact OD1-N 2.8Å; L26-T109 HydrophobicContact CD2-CG2 3.74Å; L26-T109 WeakPolarHBondContact CD2-O 3.2Å; L26-T110 WeakPolarHBondContact CA-O 3.32Å; L26-A112 HydrophobicContact CD1-CB 4.04Å; L26-Y131 HydrophobicContact CD1-CD1 4.42Å; L26-Y131 HydrophobicContact CD1-CE1 4.44Å
27Q98.4Very high97.3Very high142 Ų14246.9 Ų46.966%0.66426%0.256SS*.EExtended strand (participates in β ladder)trans-96.3144.3168.8-63.1176.9100109.7T110 R111 A112Q27-T110 PolarHBondContact N-O 3.17Å; Q27-R111 CarbonylContact O-C 3.58Å; Q27-R111 WeakPolarHBondContact O-CA 3.49Å; Q27-A112 PolarHBondContact O-N 2.99Å
28L98.3Very high97.3Very high59 Ų5953.4 Ų53.431%0.30928%0.284SS..EExtended strand (participates in β ladder)trans-68.6141167.1-79.7174.3000109.8N7 I11 M33 A112 F114N7-L28 HydrophobicContact CB-CD1 4.03Å; N7-L28 HydrophobicContact CB-CD2 4.06Å; I11-L28 HydrophobicContact CB-CD1 4.3Å; I11-L28 HydrophobicContact CB-CD2 3.97Å; I11-L28 HydrophobicContact CB-CG 3.89Å; I11-L28 HydrophobicContact CD1-CD2 4.08Å; I11-L28 HydrophobicContact CD1-CG 4.18Å; I11-L28 HydrophobicContact CG1-CD2 4.22Å; I11-L28 HydrophobicContact CG1-CG 3.92Å; I11-L28 HydrophobicContact CG2-CD1 3.89Å; I11-L28 HydrophobicContact CG2-CD2 4.46Å; I11-L28 HydrophobicContact CG2-CG 3.97Å; L28-M33 HydrophobicContact CB-SD 4Å; L28-M33 HydrophobicContact CD1-SD 4.35Å; L28-M33 HydrophobicContact CD2-CG 4.4Å; L28-M33 HydrophobicContact CD2-SD 3.99Å; L28-M33 HydrophobicContact CG-SD 4.33Å; L28-A112 CarbonylContact C-O 3.56Å; L28-A112 WeakPolarHBondContact CA-O 3.26Å; L28-F114 HydrophobicContact CD2-CD2 4.05Å; L28-F114 HydrophobicContact CD2-CE2 4.1Å
29D98.1Very high97.2Very high21 Ų2154.9 Ų54.911%0.11229%0.29CS..  trans-128.5122.5178.4179.6-75.1000109.9D31 L32 M33 R111 A112D29-D31 PolarHBondContact O-N 3.18Å; D29-D31 WeakPolarHBondContact OD1-CB 3.26Å; D29-D31 PolarHBondContact OD1-N 3.1Å; D29-D31 VanDerWaalsContact OD1-N 3.15Å; D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 4Å; D29-L32 HydrophobicContact CB-CG 3.99Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-L32 WeakPolarHBondContact OD1-CG 3.46Å; D29-L32 PolarHBondContact OD1-N 2.88Å; D29-M33 VanDerWaalsContact O-CG 3.23Å; D29-M33 WeakPolarHBondContact O-CG 3.44Å; D29-M33 PolarHBondContact O-N 3.07Å; D29-R111 HydrophobicContact CB-CB 4.05Å; D29-R111 HydrophobicContact CB-CG 4.46Å; D29-R111 VanDerWaalsContact OD2-CD 3.31Å; D29-R111 WeakPolarHBondContact OD2-CD 3.17Å; D29-R111 IonicContact OD2-CZ 3.91Å; D29-R111 IonicContact OD2-NE 3.49Å; D29-R111 IonicContact OD2-NH1 2.77Å; D29-R111 PolarHBondContact OD2-NH1 2.87Å; D29-A112 PolarHBondContact N-O 2.9Å
30E97.3Very high97.3Very high140 Ų14051.8 Ų51.865%0.65427%0.268SS*.Hα-helixtrans-65.7-37.9-171.2-167.7177.5176.500112.5L32 M33 I34E30-L32 PolarHBondContact O-N 3.45Å; E30-M33 WeakPolarHBondContact O-CB 3.45Å; E30-M33 PolarHBondContact O-N 3.24Å; E30-I34 HydrophobicContact CG-CD1 4.13Å; E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.32Å; E30-I34 PolarHBondContact O-N 2.66Å
31D96.9Very high97.4Very high124 Ų12455.3 Ų55.366%0.66328%0.284SS*.Hα-helixtrans-64.5-41.2175.8-74.3-34.9000110.9D29 S35D29-D31 PolarHBondContact O-N 3.18Å; D29-D31 WeakPolarHBondContact OD1-CB 3.26Å; D29-D31 PolarHBondContact OD1-N 3.1Å; D29-D31 VanDerWaalsContact OD1-N 3.15Å; D31-S35 WeakPolarHBondContact O-CB 3.43Å; D31-S35 PolarHBondContact O-N 2.91Å
32L97.6Very high97.4Very high10 Ų1058.6 Ų58.65%0.05230%0.302CS..Hα-helixtrans-64.7-39.2173.2-64.3-174.2000111.9D29 E30 S35 A36 R111 R130 L132D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 4Å; D29-L32 HydrophobicContact CB-CG 3.99Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-L32 WeakPolarHBondContact OD1-CG 3.46Å; D29-L32 PolarHBondContact OD1-N 2.88Å; E30-L32 PolarHBondContact O-N 3.45Å; L32-S35 PolarHBondContact O-N 2.78Å; L32-A36 WeakPolarHBondContact O-CB 3.42Å; L32-A36 PolarHBondContact O-N 2.78Å; L32-R111 HydrophobicContact CD1-CB 4.17Å; L32-R130 HydrophobicContact CB-CB 4.22Å; L32-R130 HydrophobicContact CD2-CB 4.26Å; L32-L132 HydrophobicContact CD1-CB 3.9Å
33M98.2Very high97.4Very high22 Ų2257 Ų5711%0.10829%0.285CS..Hα-helixtrans-63.8-47.8176.8-69.9165.255.600111.7I2 N7 L28 D29 E30 S35 A36 Q37I2-M33 HydrophobicContact CD1-CB 4.21Å; I2-M33 HydrophobicContact CG2-CB 4.14Å; I2-M33 HydrophobicContact CG2-CE 3.68Å; N7-M33 HydrophobicContact CB-CE 4.16Å; N7-M33 WeakPolarHBondContact OD1-CG 3.33Å; L28-M33 HydrophobicContact CB-SD 4Å; L28-M33 HydrophobicContact CD1-SD 4.35Å; L28-M33 HydrophobicContact CD2-CG 4.4Å; L28-M33 HydrophobicContact CD2-SD 3.99Å; L28-M33 HydrophobicContact CG-SD 4.33Å; D29-M33 VanDerWaalsContact O-CG 3.23Å; D29-M33 WeakPolarHBondContact O-CG 3.44Å; D29-M33 PolarHBondContact O-N 3.07Å; E30-M33 WeakPolarHBondContact O-CB 3.45Å; E30-M33 PolarHBondContact O-N 3.24Å; M33-S35 PolarHBondContact O-N 2.69Å; M33-A36 PolarHBondContact O-N 3.15Å; M33-Q37 VanDerWaalsContact O-CB 3.26Å; M33-Q37 WeakPolarHBondContact O-CB 3.2Å; M33-Q37 PolarHBondContact O-N 3.14Å
34I97.5Very high97.4Very high82 Ų8257 Ų5742%0.42129%0.286SS..Hα-helixtrans-59.4-47175.3-67.5164.9000110.4I2 E30 Q37 K38I2-I34 HydrophobicContact CD1-CG1 3.62Å; I2-I34 HydrophobicContact CG1-CG1 4.36Å; E30-I34 HydrophobicContact CG-CD1 4.13Å; E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.32Å; E30-I34 PolarHBondContact O-N 2.66Å; I34-Q37 PolarHBondContact O-N 3.15Å; I34-K38 WeakPolarHBondContact O-CB 3.26Å; I34-K38 PolarHBondContact O-N 2.95Å
35S96.4Very high97.3Very high37 Ų3757.7 Ų57.726%0.25930%0.298SS..Hα-helixtrans-66.8-41.2-178-168.60000112.6D31 L32 M33 W39 R130D31-S35 WeakPolarHBondContact O-CB 3.43Å; D31-S35 PolarHBondContact O-N 2.91Å; L32-S35 PolarHBondContact O-N 2.78Å; M33-S35 PolarHBondContact O-N 2.69Å; S35-W39 PolarHBondContact O-N 2.96Å; S35-W39 VanDerWaalsContact O-N 3.12Å; S35-R130 PolarHBondContact OG-NH1 3.12Å
36A97.6Very high97.1Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-65.2-45.6174.800000111.7L32 M33 W39 A40 V128 R130L32-A36 WeakPolarHBondContact O-CB 3.42Å; L32-A36 PolarHBondContact O-N 2.78Å; M33-A36 PolarHBondContact O-N 3.15Å; A36-W39 PolarHBondContact O-N 2.96Å; A36-A40 PolarHBondContact O-N 2.79Å; A36-V128 HydrophobicContact CB-CB 4.29Å; A36-V128 HydrophobicContact CB-CG1 4.22Å; A36-R130 HydrophobicContact CB-CB 4.34Å; A36-R130 HydrophobicContact CB-CG 3.65Å
37Q98.2Very high96.7Very high12 Ų1256.9 Ų56.96%0.05630%0.301CS..Hα-helixtrans-61.7-45.7178.9-176.860.136.100111.7M1 M33 I34 W39 A40 E41 L116M1-Q37 VanDerWaalsContact O-CD 3.27Å; M1-Q37 WeakPolarHBondContact O-CG 3.29Å; M1-Q37 PolarHBondContact O-NE2 2.68Å; M33-Q37 VanDerWaalsContact O-CB 3.26Å; M33-Q37 WeakPolarHBondContact O-CB 3.2Å; M33-Q37 PolarHBondContact O-N 3.14Å; I34-Q37 PolarHBondContact O-N 3.15Å; Q37-W39 VanDerWaalsContact C-N 3.28Å; Q37-W39 PolarHBondContact O-N 3.12Å; Q37-A40 PolarHBondContact O-N 2.88Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.48Å; Q37-E41 PolarHBondContact NE2-OE1 2.82Å; Q37-E41 WeakPolarHBondContact O-CG 3.48Å; Q37-E41 PolarHBondContact O-N 3.49Å; Q37-L116 PolarHBondContact NE2-O 3.35Å; Q37-L116 PolarHBondContact OE1-O 3.35Å
38K97.2Very high96.2Very high137 Ų13755.2 Ų55.260%0.59629%0.292SS*.Hα-helixtrans-60.5-37.6175.3-175.1177.7-178.3178.90112.2I34 N42I34-K38 WeakPolarHBondContact O-CB 3.26Å; I34-K38 PolarHBondContact O-N 2.95Å; K38-N42 VanDerWaalsContact O-CG 3.26Å; K38-N42 PolarHBondContact O-N 3.29Å; K38-N42 VanDerWaalsContact O-N 3.1Å; K38-N42 PolarHBondContact O-ND2 2.9Å
39W96.8Very high95.7Very high32 Ų3254.5 Ų54.512%0.12129%0.288CS..Hα-helixtrans-70.9-41.1176.1-163.4-114.5000112S35 A36 Q37 E41 N42 L43 Y50 S52 V128S35-W39 PolarHBondContact O-N 2.96Å; S35-W39 VanDerWaalsContact O-N 3.12Å; A36-W39 PolarHBondContact O-N 2.96Å; Q37-W39 VanDerWaalsContact C-N 3.28Å; Q37-W39 PolarHBondContact O-N 3.12Å; W39-E41 VanDerWaalsContact C-N 3.32Å; W39-E41 PolarHBondContact O-N 2.74Å; W39-N42 HydrophobicContact CE3-CB 4.31Å; W39-N42 WeakPolarHBondContact O-CB 3.43Å; W39-N42 PolarHBondContact O-N 3.47Å; W39-N42 VanDerWaalsContact O-N 3.16Å; W39-L43 HydrophobicContact CZ2-CD2 4.37Å; W39-L43 VanDerWaalsContact O-CG 3.3Å; W39-L43 WeakPolarHBondContact O-CG 3.35Å; W39-L43 PolarHBondContact O-N 3.3Å; W39-Y50 HydrophobicContact CH2-CD2 4.49Å; W39-Y50 AromaticContact CH2-CE2 3.72Å; W39-Y50 HydrophobicContact CH2-CE2 3.72Å; W39-Y50 AromaticContact CZ2-CD2 3.89Å; W39-Y50 HydrophobicContact CZ2-CD2 3.89Å; W39-Y50 AromaticContact CZ2-CE2 3.48Å; W39-Y50 HydrophobicContact CZ2-CE2 3.48Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.48Å; W39-Y50 PolarHBondContact NE1-O 3.19Å; W39-S52 VanDerWaalsContact CE2-CB 3.44Å; W39-S52 VanDerWaalsContact CZ2-CA 3.42Å; W39-V128 HydrophobicContact CB-CG1 4.36Å; W39-V128 HydrophobicContact CB-CG2 4.15Å; W39-V128 HydrophobicContact CG-CG2 4.32Å
40A97.2Very high95.4Very high0 Ų058.6 Ų58.60%030%0.303CS..Hα-helixtrans-58-4517400000111.6A36 Q37 N42 L43 A44 A117 V128A36-A40 PolarHBondContact O-N 2.79Å; Q37-A40 PolarHBondContact O-N 2.88Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 3.36Å; A40-L43 PolarHBondContact O-N 2.96Å; A40-A44 WeakPolarHBondContact O-CB 3.42Å; A40-A44 PolarHBondContact O-N 3.01Å; A40-A117 VanDerWaalsContact C-CB 3.43Å; A40-A117 HydrophobicContact CB-CB 3.95Å; A40-A117 WeakPolarHBondContact O-CB 3.48Å; A40-V128 HydrophobicContact CB-CG2 3.9Å
41E97.7Very high95Very high79 Ų7955.6 Ų55.637%0.36929%0.289SS..Hα-helixtrans-60.2-40.8175.7-71.5167.7-175.400111.8M1 Q37 W39 A45 A117M1-E41 PolarHBondContact N-OE1 3.1Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.48Å; Q37-E41 PolarHBondContact NE2-OE1 2.82Å; Q37-E41 WeakPolarHBondContact O-CG 3.48Å; Q37-E41 PolarHBondContact O-N 3.49Å; W39-E41 VanDerWaalsContact C-N 3.32Å; W39-E41 PolarHBondContact O-N 2.74Å; E41-A45 WeakPolarHBondContact O-CB 3.37Å; E41-A45 PolarHBondContact O-N 2.67Å; E41-A117 HydrophobicContact CB-CB 4.49Å; E41-A117 HydrophobicContact CG-CB 4.04Å
42N96.4Very high94.7Very high69 Ų6950.2 Ų50.237%0.36926%0.261SS..Hα-helixtrans-63.6-45.1173.3-70.1-18.8000112.9K38 W39 A40 A44 A45 A46K38-N42 VanDerWaalsContact O-CG 3.26Å; K38-N42 PolarHBondContact O-N 3.29Å; K38-N42 VanDerWaalsContact O-N 3.1Å; K38-N42 PolarHBondContact O-ND2 2.9Å; W39-N42 HydrophobicContact CE3-CB 4.31Å; W39-N42 WeakPolarHBondContact O-CB 3.43Å; W39-N42 PolarHBondContact O-N 3.47Å; W39-N42 VanDerWaalsContact O-N 3.16Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 3.36Å; N42-A44 VanDerWaalsContact C-N 3.33Å; N42-A44 PolarHBondContact O-N 2.99Å; N42-A45 PolarHBondContact O-N 3.5Å; N42-A46 WeakPolarHBondContact O-CB 3.41Å; N42-A46 PolarHBondContact O-N 3.06Å
43L95Very high94.1Very high0 Ų056.8 Ų56.80%030%0.296CS..Hα-helixtrans-63.8-40.2-179.9-65.6170.7000111.4W39 A40 A46 E47 K48 L49 Y50 L61 Y126 V128W39-L43 HydrophobicContact CZ2-CD2 4.37Å; W39-L43 VanDerWaalsContact O-CG 3.3Å; W39-L43 WeakPolarHBondContact O-CG 3.35Å; W39-L43 PolarHBondContact O-N 3.3Å; A40-L43 PolarHBondContact O-N 2.96Å; L43-A46 PolarHBondContact O-N 3Å; L43-E47 WeakPolarHBondContact O-CA 3.18Å; L43-E47 PolarHBondContact O-N 3.01Å; L43-K48 WeakPolarHBondContact CD2-O 3.39Å; L43-K48 PolarHBondContact O-N 3.03Å; L43-L49 HydrophobicContact CD1-CD1 4.34Å; L43-Y50 HydrophobicContact CD2-CD1 3.76Å; L43-Y50 HydrophobicContact CD2-CE1 3.76Å; L43-Y50 HydrophobicContact CD2-CG 4.21Å; L43-Y50 WeakPolarHBondContact CD2-O 3.49Å; L43-L61 HydrophobicContact CD1-CD2 4.03Å; L43-Y126 HydrophobicContact CB-CD1 3.79Å; L43-Y126 HydrophobicContact CB-CG 4.15Å; L43-V128 HydrophobicContact CD1-CG2 3.69Å
44A95.7Very high93.2Very high9 Ų962.5 Ų62.57%0.07432%0.318CS..Hα-helixtrans-65.5-41174.600000112.7A40 N42 E47 A117 Y126A40-A44 WeakPolarHBondContact O-CB 3.42Å; A40-A44 PolarHBondContact O-N 3.01Å; N42-A44 VanDerWaalsContact C-N 3.33Å; N42-A44 PolarHBondContact O-N 2.99Å; A44-E47 PolarHBondContact O-N 3.25Å; A44-A117 HydrophobicContact CB-CB 3.78Å; A44-Y126 VanDerWaalsContact CA-CD2 3.5Å; A44-Y126 HydrophobicContact CB-CD2 3.62Å; A44-Y126 HydrophobicContact CB-CE2 4.12Å; A44-Y126 HydrophobicContact CB-CG 4.23Å
45A95.9Very high92.2Very high89 Ų8964.4 Ų64.474%0.73633%0.328SS*.Hα-helixtrans-69.6-33.8176.500000113.3E41 N42 E47E41-A45 WeakPolarHBondContact O-CB 3.37Å; E41-A45 PolarHBondContact O-N 2.67Å; N42-A45 PolarHBondContact O-N 3.5Å; A45-E47 VanDerWaalsContact C-N 3.32Å
46A93.6Very high91.8Very high44 Ų4468.5 Ų68.536%0.36435%0.348SS..Hα-helixtrans-80.5-12175.300000113.7N42 L43 K48 Y50N42-A46 WeakPolarHBondContact O-CB 3.41Å; N42-A46 PolarHBondContact O-N 3.06Å; L43-A46 PolarHBondContact O-N 3Å; A46-K48 HydrophobicContact CB-CB 4.44Å; A46-K48 WeakPolarHBondContact O-CG 3.45Å; A46-K48 PolarHBondContact O-N 3.38Å; A46-Y50 HydrophobicContact CB-CE1 4.37Å
47E91.2Very high91.6Very high86 Ų8670.3 Ų70.340%0.40236%0.355SS..THydrogen-bonded Turntrans4930.7-167.1-58.7-148.4112.100115.1L43 A44 A45 K124 Y126L43-E47 WeakPolarHBondContact O-CA 3.18Å; L43-E47 PolarHBondContact O-N 3.01Å; A44-E47 PolarHBondContact O-N 3.25Å; A45-E47 VanDerWaalsContact C-N 3.32Å; E47-K124 IonicContact OE1-NZ 2.67Å; E47-K124 PolarHBondContact OE1-NZ 2.9Å; E47-K124 IonicContact OE2-NZ 3.22Å; E47-K124 PolarHBondContact OE2-NZ 3.26Å; E47-Y126 VanDerWaalsContact C-OH 3.31Å; E47-Y126 VanDerWaalsContact CA-OH 3.26Å; E47-Y126 WeakPolarHBondContact CA-OH 3.41Å; E47-Y126 PolarHBondContact O-OH 2.74Å
48K87.6Confident91.4Very high108 Ų10869.9 Ų69.947%0.4735%0.353SS..  trans-134141.7-173.8-72.6179-179.3-168.70110.5L43 A46 Y50 S305L43-K48 WeakPolarHBondContact CD2-O 3.39Å; L43-K48 PolarHBondContact O-N 3.03Å; A46-K48 HydrophobicContact CB-CB 4.44Å; A46-K48 WeakPolarHBondContact O-CG 3.45Å; A46-K48 PolarHBondContact O-N 3.38Å; K48-Y50 HydrophobicContact CB-CD1 3.92Å; K48-Y50 HydrophobicContact CB-CE1 4Å; K48-S305 PolarHBondContact NZ-O 3.5Å
49L87.9Confident91.3Very high44 Ų4464.6 Ų64.623%0.2333%0.33CS..  trans-100.4114.8175.8-164.374.3000109.7L43 L61 F63 Y126L43-L49 HydrophobicContact CD1-CD1 4.34Å; L49-L61 HydrophobicContact CD1-CB 4.16Å; L49-L61 HydrophobicContact CD1-CD1 4.44Å; L49-L61 HydrophobicContact CG-CB 4.4Å; L49-L61 HydrophobicContact CG-CD1 4.3Å; L49-F63 HydrophobicContact CD1-CB 4.19Å; L49-F63 HydrophobicContact CD2-CB 3.91Å; L49-Y126 HydrophobicContact CD1-CD1 4.22Å
50Y90.6Very high91.3Very high106 Ų10663.1 Ų63.142%0.41633%0.325SS..  trans-156.3154177.159.1-81.1000111.1W39 L43 A46 K48 L61W39-Y50 HydrophobicContact CH2-CD2 4.49Å; W39-Y50 AromaticContact CH2-CE2 3.72Å; W39-Y50 HydrophobicContact CH2-CE2 3.72Å; W39-Y50 AromaticContact CZ2-CD2 3.89Å; W39-Y50 HydrophobicContact CZ2-CD2 3.89Å; W39-Y50 AromaticContact CZ2-CE2 3.48Å; W39-Y50 HydrophobicContact CZ2-CE2 3.48Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.48Å; W39-Y50 PolarHBondContact NE1-O 3.19Å; L43-Y50 HydrophobicContact CD2-CD1 3.76Å; L43-Y50 HydrophobicContact CD2-CE1 3.76Å; L43-Y50 HydrophobicContact CD2-CG 4.21Å; L43-Y50 WeakPolarHBondContact CD2-O 3.49Å; A46-Y50 HydrophobicContact CB-CE1 4.37Å; K48-Y50 HydrophobicContact CB-CD1 3.92Å; K48-Y50 HydrophobicContact CB-CE1 4Å; Y50-L61 VanDerWaalsContact C-CD1 3.46Å; Y50-L61 WeakPolarHBondContact O-CD1 3.31Å
51H90Very high91.2Very high78 Ų7863.8 Ų63.836%0.36133%0.329SS..  trans-67.9149.8178.7-81.1-60.6000112.3E59H51-E59 WeakPolarHBondContact CA-OE1 3.34Å; H51-E59 WeakPolarHBondContact CB-OE1 3.49Å; H51-E59 PolarHBondContact CE1-O 3.24Å; H51-E59 IonicContact CE1-OE1 3.77Å; H51-E59 IonicContact CG-OE1 2.75Å; H51-E59 IonicContact ND1-OE1 2.74Å; H51-E59 PolarHBondContact ND1-OE1 3.04Å
52S90.1Very high91Very high11 Ų1160.7 Ų60.78%0.07732%0.317CS..  trans-74.8153.1171.272.20000111.9W39 Y54 E59 R130W39-S52 VanDerWaalsContact CE2-CB 3.44Å; W39-S52 VanDerWaalsContact CZ2-CA 3.42Å; S52-Y54 PolarHBondContact O-N 2.99Å; S52-E59 WeakPolarHBondContact CB-OE2 3.39Å; S52-E59 PolarHBondContact N-OE1 2.92Å; S52-E59 PolarHBondContact OG-OE2 2.93Å; S52-R130 PolarHBondContact OG-NH2 2.88Å; S52-R130 VanDerWaalsContact OG-NH2 3.09Å
53N84.7Confident90.7Very high148 Ų14858.3 Ų58.379%0.79130%0.303SS*.SBendtrans-76.414.2-178.3-64.4-17.1000114
54Y79.2Confident90.5Very high142 Ų14258.8 Ų58.856%0.55731%0.305SS*.  trans-107.3117.6-171.3-69.7-82.2000111.6S52 Y57S52-Y54 PolarHBondContact O-N 2.99Å; Y54-Y57 WeakPolarHBondContact CB-OH 3.38Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.34Å; Y54-Y57 AromaticContact CG-CZ 3.98Å; Y54-Y57 VanDerWaalsContact CG-OH 3.27Å
55N78Confident90.1Very high121 Ų12159.6 Ų59.665%0.64731%0.307SS*.SBendtrans-99-1.6-169.8-69-29.4000115.6Y57 K137N55-Y57 PolarHBondContact O-N 3.43Å; N55-K137 PolarHBondContact O-NZ 3.37Å
56D88.1Confident89.5Confident124 Ų12456.7 Ų56.766%0.66328%0.282SS*.SBendtrans-70.3-23.5173.1-52.3-38.4000111.3L132D56-L132 WeakPolarHBondContact O-CD1 3.23Å
57Y92Very high89.1Confident38 Ų3859.9 Ų59.915%0.14931%0.308CS..SBendtrans-69.2140.4172.470.6-111.5000120.1Y54 N55 R130 V134Y54-Y57 WeakPolarHBondContact CB-OH 3.38Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.34Å; Y54-Y57 AromaticContact CG-CZ 3.98Å; Y54-Y57 VanDerWaalsContact CG-OH 3.27Å; N55-Y57 PolarHBondContact O-N 3.43Å; Y57-R130 VanDerWaalsContact CE2-NE 3.29Å; Y57-R130 VanDerWaalsContact CZ-CZ 3.46Å; Y57-R130 PolarHBondContact OH-NH1 3.42Å; Y57-V134 WeakPolarHBondContact O-CB 3.47Å; Y57-V134 WeakPolarHBondContact O-CG2 3.26Å
58G94.6Very high88.8Confident2 Ų259.3 Ų59.32%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-82.8144.1132.400000110.5Q103 R130 Y131G58-Q103 VanDerWaalsContact CA-OE1 3.25Å; G58-R130 WeakPolarHBondContact O-CA 3.42Å; G58-Y131 PolarHBondContact N-O 2.91Å; G58-Y131 PolarHBondContact O-N 3.02Å
59E95.3Very high88.9Confident26 Ų2658 Ų5812%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-140.1127.4178.3-171.7176.886.500112H51 S52 L61 V128 G129 R130H51-E59 WeakPolarHBondContact CA-OE1 3.34Å; H51-E59 WeakPolarHBondContact CB-OE1 3.49Å; H51-E59 PolarHBondContact CE1-O 3.24Å; H51-E59 IonicContact CE1-OE1 3.77Å; H51-E59 IonicContact CG-OE1 2.75Å; H51-E59 IonicContact ND1-OE1 2.74Å; H51-E59 PolarHBondContact ND1-OE1 3.04Å; S52-E59 WeakPolarHBondContact CB-OE2 3.39Å; S52-E59 PolarHBondContact N-OE1 2.92Å; S52-E59 PolarHBondContact OG-OE2 2.93Å; E59-L61 HydrophobicContact CG-CD2 4.1Å; E59-L61 HydrophobicContact CG-CG 4.48Å; E59-V128 HydrophobicContact CG-CG1 4.16Å; E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.32Å; E59-G129 WeakPolarHBondContact CA-O 3.41Å; E59-R130 IonicContact OE2-CZ 3.49Å; E59-R130 IonicContact OE2-NE 3.7Å; E59-R130 PolarHBondContact OE2-NE 3.44Å; E59-R130 IonicContact OE2-NH2 2.65Å; E59-R130 PolarHBondContact OE2-NH2 3.14Å
60N96.3Very high89Confident2 Ų256.3 Ų56.31%0.01131%0.308CS..EExtended strand (participates in β ladder)trans-112.7144.1167.6-75-4000109.2W81 H100 Q103 G129 Y131N60-W81 HydrophobicContact CB-CD2 3.9Å; N60-W81 HydrophobicContact CB-CE3 4.11Å; N60-W81 HydrophobicContact CB-CH2 3.88Å; N60-W81 HydrophobicContact CB-CZ2 3.62Å; N60-W81 HydrophobicContact CB-CZ3 4.1Å; N60-H100 PolarHBondContact ND2-O 2.74Å; N60-H100 VanDerWaalsContact ND2-O 3.13Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.38Å; N60-G129 PolarHBondContact N-O 3.09Å; N60-G129 PolarHBondContact O-N 2.89Å; N60-Y131 HydrophobicContact CB-CE2 3.73Å; N60-Y131 PolarHBondContact ND2-OH 3.06Å; N60-Y131 VanDerWaalsContact ND2-OH 3.1Å
61L95.3Very high88.9Confident14 Ų1459 Ų597%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-123.3146.6177.5-61.2179.5000110.5L43 L49 Y50 E59 W81 V127 V128L43-L61 HydrophobicContact CD1-CD2 4.03Å; L49-L61 HydrophobicContact CD1-CB 4.16Å; L49-L61 HydrophobicContact CD1-CD1 4.44Å; L49-L61 HydrophobicContact CG-CB 4.4Å; L49-L61 HydrophobicContact CG-CD1 4.3Å; Y50-L61 VanDerWaalsContact C-CD1 3.46Å; Y50-L61 WeakPolarHBondContact O-CD1 3.31Å; E59-L61 HydrophobicContact CG-CD2 4.1Å; E59-L61 HydrophobicContact CG-CG 4.48Å; L61-W81 PolarHBondContact O-NE1 3.15Å; L61-V127 WeakPolarHBondContact CA-O 3.31Å; L61-V128 HydrophobicContact CD2-CB 4.28Å; L61-V128 HydrophobicContact CD2-CG1 4.07Å; L61-V128 HydrophobicContact CD2-CG2 3.83Å
62A93.2Very high89Confident14 Ų1456.4 Ų56.412%0.11631%0.313CS..EExtended strand (participates in β ladder)trans-140.3151.5168.300000111.1V77 W81 V127A62-V77 HydrophobicContact CB-CG1 4.07Å; A62-W81 HydrophobicContact CB-CZ2 4.02Å; A62-V127 HydrophobicContact CB-CB 4.14Å; A62-V127 PolarHBondContact N-O 2.75Å; A62-V127 PolarHBondContact O-N 3.49Å
63F90.2Very high89.3Confident19 Ų1958.2 Ų58.28%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-136.3139.9178.2174.9-97.9000109.4L49 M65 K124 A125 Y126 V297 I298 L300L49-F63 HydrophobicContact CD1-CB 4.19Å; L49-F63 HydrophobicContact CD2-CB 3.91Å; F63-M65 HydrophobicContact CE1-CB 3.91Å; F63-M65 HydrophobicContact CZ-CB 4.06Å; F63-M65 HydrophobicContact CZ-SD 4.34Å; F63-K124 HydrophobicContact CE2-CB 3.74Å; F63-K124 HydrophobicContact CE2-CD 4.19Å; F63-K124 HydrophobicContact CE2-CG 4.08Å; F63-K124 HydrophobicContact CZ-CB 4.07Å; F63-K124 HydrophobicContact CZ-CD 4.17Å; F63-K124 HydrophobicContact CZ-CG 3.96Å; F63-A125 WeakPolarHBondContact CA-O 3.43Å; F63-Y126 AromaticContact CD2-CD1 3.84Å; F63-Y126 HydrophobicContact CD2-CD1 3.84Å; F63-Y126 AromaticContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE2 4.41Å; F63-Y126 HydrophobicContact CD2-CG 4.35Å; F63-Y126 AromaticContact CD2-CZ 3.91Å; F63-Y126 HydrophobicContact CE2-CD1 4.34Å; F63-Y126 AromaticContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE2 4.08Å; F63-Y126 AromaticContact CE2-CZ 3.54Å; F63-V297 WeakPolarHBondContact O-CG1 3.45Å; F63-I298 WeakPolarHBondContact CD1-O 3.46Å; F63-L300 HydrophobicContact CE1-CD1 3.95Å; F63-L300 HydrophobicContact CZ-CD1 4.34Å
64K90.1Very high89.8Confident10 Ų1051.2 Ų51.24%0.04329%0.286CS..EExtended strand (participates in β ladder)trans-140.1139.2174.8-174.2179.6-176.3178.60109.5Q71 I72 E76 K124 A125K64-Q71 WeakPolarHBondContact CE-O 3.49Å; K64-Q71 PolarHBondContact NZ-O 3.34Å; K64-I72 HydrophobicContact CB-CD1 3.94Å; K64-I72 HydrophobicContact CD-CB 4.1Å; K64-I72 HydrophobicContact CD-CD1 3.89Å; K64-I72 HydrophobicContact CD-CG1 4.05Å; K64-E76 WeakPolarHBondContact CD-OE1 3.35Å; K64-E76 WeakPolarHBondContact CE-OE1 3.31Å; K64-E76 IonicContact NZ-OE1 3.59Å; K64-E76 PolarHBondContact NZ-OE1 3Å; K64-E76 IonicContact NZ-OE2 3.49Å; K64-E76 PolarHBondContact NZ-OE2 3.48Å; K64-K124 CarbonylContact O-C 3.51Å; K64-K124 WeakPolarHBondContact O-CA 3.38Å; K64-A125 HydrophobicContact CB-CB 4.46Å; K64-A125 PolarHBondContact N-O 3.13Å; K64-A125 PolarHBondContact O-N 3.06Å
65M88.6Confident90.7Very high25 Ų2548.7 Ų48.712%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-126.7147.4178.7-173.8161.454.600110.4F63 T123 K124 I298 I311F63-M65 HydrophobicContact CE1-CB 3.91Å; F63-M65 HydrophobicContact CZ-CB 4.06Å; F63-M65 HydrophobicContact CZ-SD 4.34Å; M65-T123 CarbonylContact C-O 3.52Å; M65-T123 WeakPolarHBondContact CA-O 3.19Å; M65-K124 HydrophobicContact CG-CG 4.11Å; M65-K124 HydrophobicContact SD-CG 4.07Å; M65-I298 HydrophobicContact CE-CD1 3.88Å; M65-I311 HydrophobicContact CE-CD1 3.77Å; M65-I311 HydrophobicContact CE-CG1 4.32Å; M65-I311 HydrophobicContact SD-CD1 3.84Å
66S83.8Confident91.4Very high29 Ų2945 Ų4520%0.20326%0.259CS..  trans-149.3146.3-173.2170.70000110.1S68 T123S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 CarbonylContact C-O 3.57Å; S66-S68 WeakPolarHBondContact CB-O 3.44Å; S66-S68 PolarHBondContact OG-N 3.29Å; S66-S68 PolarHBondContact OG-O 3.32Å; S66-S68 PolarHBondContact OG-OG 3.06Å; S66-T123 PolarHBondContact N-O 3.2Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.33Å
67A83.9Confident91.7Very high111 Ų11139.3 Ų39.392%0.91723%0.228SC*.SBendtrans-73.7-26.1176.200000112.8
68S85.7Confident91.9Very high73 Ų7337.5 Ų37.551%0.5122%0.221SC..SBendtrans-99.8168167.862.50000110.4S66 C70S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 CarbonylContact C-O 3.57Å; S66-S68 WeakPolarHBondContact CB-O 3.44Å; S66-S68 PolarHBondContact OG-N 3.29Å; S66-S68 PolarHBondContact OG-O 3.32Å; S66-S68 PolarHBondContact OG-OG 3.06Å; S68-C70 PolarHBondContact O-N 3.11Å; S68-C70 VanDerWaalsContact O-N 3.14Å
69P89.6Confident91.9Very high81 Ų8138 Ų3853%0.52622%0.223SC..SBendtrans-45.1123.8171.8-30.637000111.8Q122P69-Q122 HydrophobicContact CB-CB 4.36Å
70C89.3Confident91.6Very high9 Ų937.3 Ų37.36%0.06122%0.22CC..  trans-72.1135.8-168.1-171.30000110.4S68 F118 Q122 A125S68-C70 PolarHBondContact O-N 3.11Å; S68-C70 VanDerWaalsContact O-N 3.14Å; C70-F118 HydrophobicContact CB-CD1 4.23Å; C70-F118 HydrophobicContact CB-CE1 4.1Å; C70-F118 WeakPolarHBondContact O-CE1 3.25Å; C70-Q122 WeakPolarHBondContact CB-O 3.31Å; C70-Q122 PolarHBondContact N-O 2.83Å; C70-A125 HydrophobicContact CB-CB 4.47Å
71Q89.6Confident91.5Very high162 Ų16237.5 Ų37.576%0.75722%0.221SC*.  trans-119.4131173.2-64.1-175.4-0.600108.9K64K64-Q71 WeakPolarHBondContact CE-O 3.49Å; K64-Q71 PolarHBondContact NZ-O 3.34Å
72I92.3Very high91.5Very high23 Ų2336.9 Ų36.912%0.11822%0.217CC..  trans-147.8141.3177.2-163.3170.5000109.2F6 K64 V77 L116 A125 V127F6-I72 HydrophobicContact CE2-CG2 4.44Å; K64-I72 HydrophobicContact CB-CD1 3.94Å; K64-I72 HydrophobicContact CD-CB 4.1Å; K64-I72 HydrophobicContact CD-CD1 3.89Å; K64-I72 HydrophobicContact CD-CG1 4.05Å; I72-V77 HydrophobicContact CD1-CG2 3.42Å; I72-V77 VanDerWaalsContact CD1-CG2 3.42Å; I72-V77 HydrophobicContact CG1-CG2 3.76Å; I72-L116 HydrophobicContact CG2-CD1 3.7Å; I72-L116 HydrophobicContact CG2-CD2 4.12Å; I72-A125 HydrophobicContact CG2-CB 3.9Å; I72-V127 HydrophobicContact CD1-CG2 4.39Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å
73T95.4Very high91.4Very high50 Ų5036.6 Ų36.631%0.30722%0.215SC..  trans-110.5157.9178.762.60000110.3F6 E75 E76 V77F6-T73 VanDerWaalsContact CE2-C 3.46Å; T73-E75 PolarHBondContact O-N 3.19Å; T73-E76 PolarHBondContact O-N 2.95Å; T73-E76 VanDerWaalsContact OG1-CB 3.31Å; T73-E76 WeakPolarHBondContact OG1-CB 3.29Å; T73-E76 PolarHBondContact OG1-N 3.1Å; T73-V77 PolarHBondContact O-N 3.45Å
74G96.2Very high91.3Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-62.8-30.617500000112.3F6 S78F6-G74 VanDerWaalsContact CE2-N 3.33Å; G74-S78 WeakPolarHBondContact O-CB 3.3Å; G74-S78 PolarHBondContact O-N 3.28Å; G74-S78 PolarHBondContact O-OG 2.92Å
75E96.3Very high91.4Very high90 Ų9036 Ų3642%0.42121%0.212SC..Hα-helixtrans-65-50.5173.8-176.3-176.3166.700111.6E13 T73 V77 S78 Q79E13-E75 HydrophobicContact CB-CB 4.34Å; E13-E75 HydrophobicContact CB-CG 4.18Å; E13-E75 HydrophobicContact CG-CB 4.46Å; E13-E75 HydrophobicContact CG-CG 3.93Å; T73-E75 PolarHBondContact O-N 3.19Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.19Å; E75-S78 PolarHBondContact O-N 3.48Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-Q79 WeakPolarHBondContact O-CG 3.36Å; E75-Q79 PolarHBondContact O-N 3Å; E75-Q79 PolarHBondContact OE1-NE2 3.32Å
76E93.4Very high91.2Very high44 Ų4436 Ų3621%0.20621%0.213CC..Hα-helixtrans-58.6-42.4179-170.3-168.9121.600111.6K64 T73 T80K64-E76 WeakPolarHBondContact CD-OE1 3.35Å; K64-E76 WeakPolarHBondContact CE-OE1 3.31Å; K64-E76 IonicContact NZ-OE1 3.59Å; K64-E76 PolarHBondContact NZ-OE1 3Å; K64-E76 IonicContact NZ-OE2 3.49Å; K64-E76 PolarHBondContact NZ-OE2 3.48Å; T73-E76 PolarHBondContact O-N 2.95Å; T73-E76 VanDerWaalsContact OG1-CB 3.31Å; T73-E76 WeakPolarHBondContact OG1-CB 3.29Å; T73-E76 PolarHBondContact OG1-N 3.1Å; E76-T80 VanDerWaalsContact O-CB 3.31Å; E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.96Å; E76-T80 PolarHBondContact O-OG1 2.84Å
77V95Very high91.1Very high4 Ų437.7 Ų37.72%0.02422%0.215CC..Hα-helixtrans-63.5-45.8175.81740000111.4F6 A62 I72 T73 E75 Q79 T80 W81 V127F6-V77 HydrophobicContact CE2-CG2 4.37Å; F6-V77 HydrophobicContact CZ-CG2 4.11Å; A62-V77 HydrophobicContact CB-CG1 4.07Å; I72-V77 HydrophobicContact CD1-CG2 3.42Å; I72-V77 VanDerWaalsContact CD1-CG2 3.42Å; I72-V77 HydrophobicContact CG1-CG2 3.76Å; T73-V77 PolarHBondContact O-N 3.45Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.19Å; V77-Q79 PolarHBondContact O-N 2.96Å; V77-T80 WeakPolarHBondContact O-CB 3.43Å; V77-T80 PolarHBondContact O-N 2.61Å; V77-T80 VanDerWaalsContact O-N 3.14Å; V77-W81 HydrophobicContact CG1-CD2 3.72Å; V77-W81 HydrophobicContact CG1-CE3 3.72Å; V77-W81 HydrophobicContact CG1-CH2 3.47Å; V77-W81 VanDerWaalsContact CG1-CH2 3.47Å; V77-W81 HydrophobicContact CG1-CZ2 3.48Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.48Å; V77-W81 HydrophobicContact CG1-CZ3 3.6Å; V77-W81 PolarHBondContact O-N 3.22Å; V77-V127 HydrophobicContact CG1-CG1 3.88Å; V77-V127 HydrophobicContact CG2-CB 4.46Å; V77-V127 HydrophobicContact CG2-CG1 4.12Å; V77-V127 HydrophobicContact CG2-CG2 4.16Å
78S96.2Very high91.1Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-61.9-45.2-179.8-57.20000111.2A10 H14 G74 E75 T80 Y82 M104A10-S78 PolarHBondContact O-OG 3.43Å; H14-S78 PolarHBondContact CE1-OG 3.3Å; H14-S78 PolarHBondContact ND1-OG 2.95Å; G74-S78 WeakPolarHBondContact O-CB 3.3Å; G74-S78 PolarHBondContact O-N 3.28Å; G74-S78 PolarHBondContact O-OG 2.92Å; E75-S78 PolarHBondContact O-N 3.48Å; E75-S78 VanDerWaalsContact O-N 3.13Å; S78-T80 VanDerWaalsContact C-N 3.31Å; S78-T80 PolarHBondContact O-N 3.02Å; S78-Y82 VanDerWaalsContact O-CB 3.27Å; S78-Y82 WeakPolarHBondContact O-CB 3.27Å; S78-Y82 PolarHBondContact O-N 2.85Å; S78-M104 VanDerWaalsContact O-CE 3.3Å; S78-M104 WeakPolarHBondContact O-CE 3.49Å
79Q94.2Very high91Very high12 Ų1230.5 Ų30.56%0.05616%0.155CC..Hα-helixtrans-63-37.3173.8-69.6-1799.600112.2E13 E75 V77 S83 L206E13-Q79 HydrophobicContact CG-CG 4.11Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.35Å; E13-Q79 PolarHBondContact OE1-NE2 2.89Å; E75-Q79 WeakPolarHBondContact O-CG 3.36Å; E75-Q79 PolarHBondContact O-N 3Å; E75-Q79 PolarHBondContact OE1-NE2 3.32Å; V77-Q79 PolarHBondContact O-N 2.96Å; Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 3.23Å; Q79-L206 HydrophobicContact CB-CD2 3.82Å; Q79-L206 HydrophobicContact CG-CD2 3.89Å
80T89.5Confident90.8Very high11 Ų1129.6 Ų29.67%0.06714%0.143CC..Hα-helixtrans-64-51.5178-59.80000111.2E76 V77 S78 Y82 S83 C210 C212E76-T80 VanDerWaalsContact O-CB 3.31Å; E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.96Å; E76-T80 PolarHBondContact O-OG1 2.84Å; V77-T80 WeakPolarHBondContact O-CB 3.43Å; V77-T80 PolarHBondContact O-N 2.61Å; V77-T80 VanDerWaalsContact O-N 3.14Å; S78-T80 VanDerWaalsContact C-N 3.31Å; S78-T80 PolarHBondContact O-N 3.02Å; T80-Y82 PolarHBondContact O-N 3.2Å; T80-S83 WeakPolarHBondContact O-CB 3.43Å; T80-S83 PolarHBondContact O-N 3.37Å; T80-S83 PolarHBondContact O-OG 3.39Å; T80-C210 PolarHBondContact OG1-SG 3Å; T80-C212 WeakPolarHBondContact CG2-SG 3.2Å
81W94.8Very high90.4Very high7 Ų735 Ų353%0.02718%0.176CC..Hα-helixtrans-62-40.8175.7-72.8-28.1000112.9H14 N60 L61 A62 V77 S83 E84 H100 F101 M104 F114 V127 Y131H14-W81 AromaticContact CE1-CE3 3.87Å; H14-W81 AromaticContact CE1-CZ3 3.83Å; H14-W81 AromaticContact NE2-CE3 3.98Å; N60-W81 HydrophobicContact CB-CD2 3.9Å; N60-W81 HydrophobicContact CB-CE3 4.11Å; N60-W81 HydrophobicContact CB-CH2 3.88Å; N60-W81 HydrophobicContact CB-CZ2 3.62Å; N60-W81 HydrophobicContact CB-CZ3 4.1Å; L61-W81 PolarHBondContact O-NE1 3.15Å; A62-W81 HydrophobicContact CB-CZ2 4.02Å; V77-W81 HydrophobicContact CG1-CD2 3.72Å; V77-W81 HydrophobicContact CG1-CE3 3.72Å; V77-W81 HydrophobicContact CG1-CH2 3.47Å; V77-W81 VanDerWaalsContact CG1-CH2 3.47Å; V77-W81 HydrophobicContact CG1-CZ2 3.48Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.48Å; V77-W81 HydrophobicContact CG1-CZ3 3.6Å; V77-W81 PolarHBondContact O-N 3.22Å; W81-S83 VanDerWaalsContact C-N 3.3Å; W81-S83 PolarHBondContact O-N 2.87Å; W81-E84 PolarHBondContact O-N 2.83Å; W81-H100 HydrophobicContact CB-CB 3.74Å; W81-H100 AromaticContact CD1-CD2 3.76Å; W81-H100 AromaticContact CD1-CG 3.64Å; W81-H100 HydrophobicContact CG-CB 3.77Å; W81-H100 AromaticContact NE1-CD2 3.79Å; W81-F101 PolarHBondContact O-N 3.12Å; W81-M104 HydrophobicContact CB-CG 4.29Å; W81-M104 HydrophobicContact CB-SD 3.35Å; W81-M104 WeakPolarHBondContact CB-SD 3.23Å; W81-M104 HydrophobicContact CE3-SD 4.39Å; W81-M104 HydrophobicContact CG-SD 4.46Å; W81-F114 HydrophobicContact CH2-CD1 4.45Å; W81-F114 HydrophobicContact CZ3-CD1 4.19Å; W81-F114 HydrophobicContact CZ3-CE1 4.05Å; W81-V127 HydrophobicContact CH2-CG1 4.12Å; W81-V127 HydrophobicContact CZ2-CG1 4.24Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.29Å
82Y94.8Very high89.4Confident0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-69.4-28.4178.5-176.9-87.9000112.7L17 H21 S78 T80 E84 I85 F101 M104 I105 L204 L206L17-Y82 HydrophobicContact CB-CD2 3.79Å; L17-Y82 HydrophobicContact CB-CE2 3.96Å; L17-Y82 HydrophobicContact CB-CG 4.34Å; L17-Y82 HydrophobicContact CD1-CD1 4.49Å; L17-Y82 HydrophobicContact CD1-CD2 4.13Å; L17-Y82 HydrophobicContact CD1-CG 3.87Å; L17-Y82 HydrophobicContact CD2-CD1 3.78Å; L17-Y82 HydrophobicContact CD2-CD2 4.05Å; L17-Y82 HydrophobicContact CD2-CE1 3.87Å; L17-Y82 HydrophobicContact CD2-CE2 4.16Å; L17-Y82 HydrophobicContact CD2-CG 3.86Å; L17-Y82 HydrophobicContact CG-CD2 4.21Å; L17-Y82 HydrophobicContact CG-CG 4.25Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.48Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.49Å; H21-Y82 AromaticContact NE2-CZ 3.49Å; H21-Y82 PolarHBondContact NE2-OH 3.1Å; S78-Y82 VanDerWaalsContact O-CB 3.27Å; S78-Y82 WeakPolarHBondContact O-CB 3.27Å; S78-Y82 PolarHBondContact O-N 2.85Å; T80-Y82 PolarHBondContact O-N 3.2Å; Y82-E84 PolarHBondContact O-N 3.39Å; Y82-I85 HydrophobicContact CD1-CG2 4.27Å; Y82-I85 HydrophobicContact CE1-CD1 4.25Å; Y82-I85 HydrophobicContact CE1-CG2 4.04Å; Y82-I85 WeakPolarHBondContact O-CB 3.38Å; Y82-I85 VanDerWaalsContact O-CG2 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.34Å; Y82-I85 PolarHBondContact O-N 3.25Å; Y82-F101 AromaticContact CD2-CD2 3.72Å; Y82-F101 HydrophobicContact CD2-CD2 3.72Å; Y82-F101 AromaticContact CD2-CE2 3.92Å; Y82-F101 HydrophobicContact CD2-CE2 3.92Å; Y82-F101 AromaticContact CE2-CD2 3.94Å; Y82-F101 HydrophobicContact CE2-CD2 3.94Å; Y82-F101 AromaticContact CE2-CE2 3.63Å; Y82-F101 HydrophobicContact CE2-CE2 3.63Å; Y82-F101 HydrophobicContact CG-CD2 4.22Å; Y82-M104 PolarHBondContact N-SD 2.92Å; Y82-M104 VanDerWaalsContact N-SD 3.43Å; Y82-I105 HydrophobicContact CD2-CG2 4.2Å; Y82-I105 HydrophobicContact CE2-CG2 4Å; Y82-L204 HydrophobicContact CE1-CD1 3.96Å; Y82-L204 HydrophobicContact CE1-CD2 3.99Å; Y82-L204 HydrophobicContact CE1-CG 4.39Å; Y82-L204 WeakPolarHBondContact OH-CD2 3.44Å; Y82-L206 HydrophobicContact CD1-CD1 4.08Å; Y82-L206 HydrophobicContact CD1-CD2 3.93Å; Y82-L206 HydrophobicContact CD1-CG 4.45Å; Y82-L206 HydrophobicContact CE1-CD1 4.4Å
83S90.5Very high88.3Confident8 Ų834.2 Ų34.26%0.05618%0.181CC..G310 helixtrans-60.2-15.9179.7780000114.1Q79 T80 W81 I85 D86Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 3.23Å; T80-S83 WeakPolarHBondContact O-CB 3.43Å; T80-S83 PolarHBondContact O-N 3.37Å; T80-S83 PolarHBondContact O-OG 3.39Å; W81-S83 VanDerWaalsContact C-N 3.3Å; W81-S83 PolarHBondContact O-N 2.87Å; S83-I85 PolarHBondContact O-N 3.39Å; S83-I85 VanDerWaalsContact O-N 3.12Å; S83-D86 WeakPolarHBondContact O-CB 3.28Å; S83-D86 PolarHBondContact O-N 3.24Å; S83-D86 VanDerWaalsContact O-N 3.15Å
84E89.4Confident87.3Confident6 Ų636.5 Ų36.53%0.02819%0.185CC..G310 helixtrans-63.2-10.1170.2-59.2-173156.800114.2W81 Y82 D86 Y87 H88 N97 S98 R99 H100 F101 W214W81-E84 PolarHBondContact O-N 2.83Å; Y82-E84 PolarHBondContact O-N 3.39Å; E84-D86 PolarHBondContact O-N 2.88Å; E84-Y87 PolarHBondContact O-N 3.16Å; E84-H88 PolarHBondContact O-N 2.77Å; E84-N97 WeakPolarHBondContact CB-O 3.3Å; E84-S98 VanDerWaalsContact OE2-CA 3.23Å; E84-S98 WeakPolarHBondContact OE2-CA 3.43Å; E84-R99 PolarHBondContact OE2-N 2.82Å; E84-H100 IonicContact OE1-CE1 2.72Å; E84-H100 IonicContact OE1-CG 3.43Å; E84-H100 IonicContact OE1-ND1 3.61Å; E84-H100 PolarHBondContact OE1-ND1 2.93Å; E84-H100 WeakPolarHBondContact OE2-CA 3.19Å; E84-H100 VanDerWaalsContact OE2-CB 3.29Å; E84-H100 WeakPolarHBondContact OE2-CB 3.33Å; E84-H100 IonicContact OE2-CG 3.15Å; E84-H100 PolarHBondContact OE2-N 3.11Å; E84-H100 IonicContact OE2-ND1 2.73Å; E84-H100 PolarHBondContact OE2-ND1 2.94Å; E84-F101 HydrophobicContact CB-CB 3.86Å; E84-F101 PolarHBondContact OE2-N 3.41Å; E84-W214 PolarHBondContact OE1-NE1 2.85Å
85I90.1Very high86.3Confident10 Ų1038 Ų385%0.05119%0.192CC..G310 helixtrans-52.4-31.7166.9-166171.9000112.2Y82 S83 Y87 H88 F90 F101 F200 L204Y82-I85 HydrophobicContact CD1-CG2 4.27Å; Y82-I85 HydrophobicContact CE1-CD1 4.25Å; Y82-I85 HydrophobicContact CE1-CG2 4.04Å; Y82-I85 WeakPolarHBondContact O-CB 3.38Å; Y82-I85 VanDerWaalsContact O-CG2 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.34Å; Y82-I85 PolarHBondContact O-N 3.25Å; S83-I85 PolarHBondContact O-N 3.39Å; S83-I85 VanDerWaalsContact O-N 3.12Å; I85-Y87 PolarHBondContact O-N 3.46Å; I85-Y87 VanDerWaalsContact O-N 3.1Å; I85-H88 PolarHBondContact O-N 3.24Å; I85-F90 HydrophobicContact CD1-CZ 4.25Å; I85-F90 HydrophobicContact CG1-CE2 4.31Å; I85-F90 HydrophobicContact CG1-CZ 4.12Å; I85-F101 HydrophobicContact CB-CD2 3.86Å; I85-F101 HydrophobicContact CB-CE1 4.49Å; I85-F101 HydrophobicContact CB-CE2 3.76Å; I85-F101 HydrophobicContact CB-CG 4.27Å; I85-F101 HydrophobicContact CB-CZ 4.09Å; I85-F101 HydrophobicContact CD1-CE2 3.76Å; I85-F101 HydrophobicContact CD1-CZ 3.88Å; I85-F101 HydrophobicContact CG1-CD2 4.41Å; I85-F101 HydrophobicContact CG1-CE1 4.31Å; I85-F101 HydrophobicContact CG1-CE2 3.81Å; I85-F101 HydrophobicContact CG1-CZ 3.75Å; I85-F200 HydrophobicContact CD1-CE1 4.24Å; I85-F200 HydrophobicContact CD1-CZ 4.05Å; I85-F200 HydrophobicContact CG2-CE1 4.32Å; I85-L204 HydrophobicContact CG2-CD1 4.27Å
86D85.1Confident85.3Confident25 Ų2537.2 Ų37.213%0.13419%0.194CC..G310 helixtrans-62.8-14.3175.9-75.7-27.7000113.4S83 E84 R197 R201S83-D86 WeakPolarHBondContact O-CB 3.28Å; S83-D86 PolarHBondContact O-N 3.24Å; S83-D86 VanDerWaalsContact O-N 3.15Å; E84-D86 PolarHBondContact O-N 2.88Å; D86-R197 PolarHBondContact O-NH2 3.2Å; D86-R197 VanDerWaalsContact O-NH2 3.14Å; D86-R201 IonicContact OD2-CZ 3.82Å; D86-R201 IonicContact OD2-NH1 2.78Å; D86-R201 PolarHBondContact OD2-NH1 2.98Å
87Y82.2Confident84.6Confident65 Ų6536.8 Ų36.826%0.25519%0.194SC..G310 helixtrans-117.5-7.2178.2-51-65.2000113.8E84 I85 H95 R189E84-Y87 PolarHBondContact O-N 3.16Å; I85-Y87 PolarHBondContact O-N 3.46Å; I85-Y87 VanDerWaalsContact O-N 3.1Å; Y87-H95 PolarHBondContact O-CE1 3.46Å; Y87-H95 PolarHBondContact O-ND1 3.26Å; Y87-H95 VanDerWaalsContact O-ND1 3.15Å; Y87-R189 PolarHBondContact O-NH2 2.79Å
88H83.7Confident84.2Confident14 Ų1436.6 Ų36.67%0.06519%0.193CC..  trans-69.7151.4-178.9-168.759.6000111.2E84 I85 F90 S98 F101 R189E84-H88 PolarHBondContact O-N 2.77Å; I85-H88 PolarHBondContact O-N 3.24Å; H88-F90 AromaticContact CD2-CD1 3.6Å; H88-F90 AromaticContact CD2-CD2 3.85Å; H88-F90 AromaticContact CD2-CE1 3.64Å; H88-F90 AromaticContact CD2-CE2 3.88Å; H88-F90 AromaticContact CD2-CG 3.71Å; H88-F90 AromaticContact CD2-CZ 3.78Å; H88-F90 AromaticContact NE2-CD1 3.89Å; H88-S98 PolarHBondContact ND1-OG 2.73Å; H88-F101 HydrophobicContact CB-CD1 4.1Å; H88-F101 HydrophobicContact CB-CE1 3.99Å; H88-F101 AromaticContact CD2-CE1 3.79Å; H88-F101 AromaticContact CG-CE1 3.78Å; H88-R189 VanDerWaalsContact C-NH2 3.29Å; H88-R189 PolarHBondContact O-NH2 2.91Å
89D84.5Confident84Confident20 Ų2041.3 Ų41.311%0.10721%0.21CC..  trans-118.4103.3170-158.9-35.2000108.1T91 Q92 R189D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 2.92Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-Q92 HydrophobicContact CB-CB 4.01Å; D89-Q92 HydrophobicContact CB-CG 3.89Å; D89-Q92 PolarHBondContact O-N 3.49Å; D89-R189 IonicContact OD2-CZ 2.91Å; D89-R189 IonicContact OD2-NE 3.14Å; D89-R189 PolarHBondContact OD2-NE 2.83Å; D89-R189 IonicContact OD2-NH1 2.69Å; D89-R189 PolarHBondContact OD2-NH1 2.84Å
90F85.4Confident83.9Confident62 Ų6241.4 Ų41.427%0.27221%0.211SC..THydrogen-bonded Turntrans-68.2-8.1178.5-64.3-88.5000112.9I85 H88 F101 V144 H146I85-F90 HydrophobicContact CD1-CZ 4.25Å; I85-F90 HydrophobicContact CG1-CE2 4.31Å; I85-F90 HydrophobicContact CG1-CZ 4.12Å; H88-F90 AromaticContact CD2-CD1 3.6Å; H88-F90 AromaticContact CD2-CD2 3.85Å; H88-F90 AromaticContact CD2-CE1 3.64Å; H88-F90 AromaticContact CD2-CE2 3.88Å; H88-F90 AromaticContact CD2-CG 3.71Å; H88-F90 AromaticContact CD2-CZ 3.78Å; H88-F90 AromaticContact NE2-CD1 3.89Å; F90-F101 HydrophobicContact CE1-CE1 4.36Å; F90-F101 HydrophobicContact CE1-CZ 4.22Å; F90-F101 HydrophobicContact CZ-CE1 4.17Å; F90-F101 AromaticContact CZ-CZ 3.91Å; F90-F101 HydrophobicContact CZ-CZ 3.91Å; F90-V144 HydrophobicContact CE1-CG1 4.35Å; F90-H146 WeakPolarHBondContact CB-CE1 3.4Å; F90-H146 AromaticContact CG-CE1 3.98Å; F90-H146 AromaticContact CG-ND1 3.84Å
91T79.7Confident84.2Confident122 Ų12240.9 Ų40.975%0.74821%0.208SC*.THydrogen-bonded Turntrans-87.1-15.6171.473.60000113.2D89D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 2.92Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å
92Q69.1Low84.2Confident85 Ų8540.6 Ų40.640%0.39721%0.207SC..SBendtrans-107.8144.8178.6-57.3-180-400109.9D89D89-Q92 HydrophobicContact CB-CB 4.01Å; D89-Q92 HydrophobicContact CB-CG 3.89Å; D89-Q92 PolarHBondContact O-N 3.49Å
93S70Confident84.2Confident83 Ų8340.8 Ų40.858%0.5821%0.207SC*.SBendtrans-62-47.8176.7-550000111.4F140S93-F140 WeakPolarHBondContact O-CB 3.31Å; S93-F140 WeakPolarHBondContact O-CD1 3.49Å; S93-F140 WeakPolarHBondContact O-CD2 3.17Å; S93-F140 WeakPolarHBondContact O-CG 3.36Å
94Y73.8Confident84.5Confident98 Ų9840.5 Ų40.538%0.38421%0.205SC..  trans-132137.8-170.3-178.4-105.7000111.8P96 R99 F140Y94-P96 HydrophobicContact CE1-CB 4.42Å; Y94-R99 HydrophobicContact CE2-CG 3.99Å; Y94-R99 VanDerWaalsContact OH-CD 3.31Å; Y94-R99 WeakPolarHBondContact OH-CD 3.46Å; Y94-R99 PolarHBondContact OH-NH1 3.36Å; Y94-F140 AromaticContact CD2-CE1 3.95Å; Y94-F140 HydrophobicContact CD2-CE1 3.95Å; Y94-F140 HydrophobicContact CD2-CE2 4.3Å; Y94-F140 AromaticContact CD2-CZ 3.54Å; Y94-F140 HydrophobicContact CD2-CZ 3.54Å; Y94-F140 HydrophobicContact CE2-CZ 4.31Å; Y94-F140 HydrophobicContact CG-CZ 4.43Å
95H74.7Confident84.9Confident32 Ų3240.2 Ų40.215%0.14820%0.204CC..  trans-135.6125171.2-167.4-97.5000109.6Y87 N97 S98Y87-H95 PolarHBondContact O-CE1 3.46Å; Y87-H95 PolarHBondContact O-ND1 3.26Å; Y87-H95 VanDerWaalsContact O-ND1 3.15Å; H95-N97 VanDerWaalsContact C-N 3.28Å; H95-N97 PolarHBondContact O-N 3.16Å; H95-S98 PolarHBondContact O-N 3.1Å; H95-S98 VanDerWaalsContact O-N 3.16Å; H95-S98 PolarHBondContact O-OG 3.37Å
96P75Confident85.2Confident73 Ų7340 Ų4047%0.47420%0.203SC..G310 helixtrans-64.3-33.3-171.424.4-33.8000112.7Y94 S98 R99Y94-P96 HydrophobicContact CE1-CB 4.42Å; P96-S98 PolarHBondContact O-N 3.02Å; P96-R99 VanDerWaalsContact O-CD 3.28Å; P96-R99 WeakPolarHBondContact O-CD 3.43Å; P96-R99 VanDerWaalsContact O-CG 3.31Å; P96-R99 WeakPolarHBondContact O-CG 3.29Å
97N78.3Confident85.8Confident36 Ų3641.7 Ų41.719%0.19321%0.208CC..G310 helixtrans-82.711.1-179.2-48.7-28.4000113.4E84 H95 H216E84-N97 WeakPolarHBondContact CB-O 3.3Å; H95-N97 VanDerWaalsContact C-N 3.28Å; H95-N97 PolarHBondContact O-N 3.16Å; N97-H216 PolarHBondContact ND2-CE1 2.95Å; N97-H216 VanDerWaalsContact ND2-CE1 3.26Å
98S88.1Confident86.5Confident0 Ų041 Ų410%021%0.214CC..G310 helixtrans-13016.5177.476.10000114.3E84 H88 H95 P96 H100 F101 T102E84-S98 VanDerWaalsContact OE2-CA 3.23Å; E84-S98 WeakPolarHBondContact OE2-CA 3.43Å; H88-S98 PolarHBondContact ND1-OG 2.73Å; H95-S98 PolarHBondContact O-N 3.1Å; H95-S98 VanDerWaalsContact O-N 3.16Å; H95-S98 PolarHBondContact O-OG 3.37Å; P96-S98 PolarHBondContact O-N 3.02Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.99Å; S98-F101 PolarHBondContact O-N 2.87Å; S98-T102 WeakPolarHBondContact O-CG2 3.09Å; S98-T102 PolarHBondContact O-N 2.72Å; S98-T102 PolarHBondContact O-OG1 3.43Å; S98-T102 VanDerWaalsContact O-OG1 3.1Å
99R90.6Very high87.2Confident98 Ų9840.4 Ų40.437%0.3721%0.211SC..Hα-helixtrans-62-34.7-174.5-73.1164.858.4126.6-6.3112.9E84 Y94 P96 T102 Q103 N136E84-R99 PolarHBondContact OE2-N 2.82Å; Y94-R99 HydrophobicContact CE2-CG 3.99Å; Y94-R99 VanDerWaalsContact OH-CD 3.31Å; Y94-R99 WeakPolarHBondContact OH-CD 3.46Å; Y94-R99 PolarHBondContact OH-NH1 3.36Å; P96-R99 VanDerWaalsContact O-CD 3.28Å; P96-R99 WeakPolarHBondContact O-CD 3.43Å; P96-R99 VanDerWaalsContact O-CG 3.31Å; P96-R99 WeakPolarHBondContact O-CG 3.29Å; R99-T102 PolarHBondContact O-OG1 3.32Å; R99-Q103 WeakPolarHBondContact O-CB 3.38Å; R99-Q103 PolarHBondContact O-N 3.19Å; R99-Q103 VanDerWaalsContact O-N 3.15Å; R99-N136 PolarHBondContact O-ND2 3.32Å
100H93.3Very high87.8Confident15 Ų1542.9 Ų42.97%0.06923%0.226CC..Hα-helixtrans-73-47-179.7-56.798.9000109.9N60 W81 E84 S98 Q103 M104 W214N60-H100 PolarHBondContact ND2-O 2.74Å; N60-H100 VanDerWaalsContact ND2-O 3.13Å; W81-H100 HydrophobicContact CB-CB 3.74Å; W81-H100 AromaticContact CD1-CD2 3.76Å; W81-H100 AromaticContact CD1-CG 3.64Å; W81-H100 HydrophobicContact CG-CB 3.77Å; W81-H100 AromaticContact NE1-CD2 3.79Å; E84-H100 IonicContact OE1-CE1 2.72Å; E84-H100 IonicContact OE1-CG 3.43Å; E84-H100 IonicContact OE1-ND1 3.61Å; E84-H100 PolarHBondContact OE1-ND1 2.93Å; E84-H100 WeakPolarHBondContact OE2-CA 3.19Å; E84-H100 VanDerWaalsContact OE2-CB 3.29Å; E84-H100 WeakPolarHBondContact OE2-CB 3.33Å; E84-H100 IonicContact OE2-CG 3.15Å; E84-H100 PolarHBondContact OE2-N 3.11Å; E84-H100 IonicContact OE2-ND1 2.73Å; E84-H100 PolarHBondContact OE2-ND1 2.94Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.99Å; H100-Q103 PolarHBondContact O-N 2.89Å; H100-M104 WeakPolarHBondContact O-CG 3.38Å; H100-M104 PolarHBondContact O-N 3.42Å; H100-W214 AromaticContact CE1-CH2 3.87Å; H100-W214 AromaticContact CE1-CZ2 3.37Å; H100-W214 WeakPolarHBondContact CE1-CZ2 3.32Å; H100-W214 AromaticContact ND1-CZ2 3.85Å
101F94.8Very high88.4Confident0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-55.5-52.3173.4162.1-103.6000112.2H21 W81 Y82 E84 I85 H88 F90 S98 Q103 M104 I105 V144H21-F101 AromaticContact CE1-CE2 3.92Å; H21-F101 AromaticContact CE1-CZ 3.74Å; H21-F101 AromaticContact NE2-CE2 3.82Å; W81-F101 PolarHBondContact O-N 3.12Å; Y82-F101 AromaticContact CD2-CD2 3.72Å; Y82-F101 HydrophobicContact CD2-CD2 3.72Å; Y82-F101 AromaticContact CD2-CE2 3.92Å; Y82-F101 HydrophobicContact CD2-CE2 3.92Å; Y82-F101 AromaticContact CE2-CD2 3.94Å; Y82-F101 HydrophobicContact CE2-CD2 3.94Å; Y82-F101 AromaticContact CE2-CE2 3.63Å; Y82-F101 HydrophobicContact CE2-CE2 3.63Å; Y82-F101 HydrophobicContact CG-CD2 4.22Å; E84-F101 HydrophobicContact CB-CB 3.86Å; E84-F101 PolarHBondContact OE2-N 3.41Å; I85-F101 HydrophobicContact CB-CD2 3.86Å; I85-F101 HydrophobicContact CB-CE1 4.49Å; I85-F101 HydrophobicContact CB-CE2 3.76Å; I85-F101 HydrophobicContact CB-CG 4.27Å; I85-F101 HydrophobicContact CB-CZ 4.09Å; I85-F101 HydrophobicContact CD1-CE2 3.76Å; I85-F101 HydrophobicContact CD1-CZ 3.88Å; I85-F101 HydrophobicContact CG1-CD2 4.41Å; I85-F101 HydrophobicContact CG1-CE1 4.31Å; I85-F101 HydrophobicContact CG1-CE2 3.81Å; I85-F101 HydrophobicContact CG1-CZ 3.75Å; H88-F101 HydrophobicContact CB-CD1 4.1Å; H88-F101 HydrophobicContact CB-CE1 3.99Å; H88-F101 AromaticContact CD2-CE1 3.79Å; H88-F101 AromaticContact CG-CE1 3.78Å; F90-F101 HydrophobicContact CE1-CE1 4.36Å; F90-F101 HydrophobicContact CE1-CZ 4.22Å; F90-F101 HydrophobicContact CZ-CE1 4.17Å; F90-F101 AromaticContact CZ-CZ 3.91Å; F90-F101 HydrophobicContact CZ-CZ 3.91Å; S98-F101 PolarHBondContact O-N 2.87Å; F101-Q103 VanDerWaalsContact C-N 3.3Å; F101-Q103 PolarHBondContact O-N 2.66Å; F101-M104 WeakPolarHBondContact O-CB 3.48Å; F101-M104 PolarHBondContact O-N 3.2Å; F101-M104 VanDerWaalsContact O-N 3.13Å; F101-I105 HydrophobicContact CD2-CG2 4.47Å; F101-I105 HydrophobicContact CE1-CD1 3.92Å; F101-I105 HydrophobicContact CE1-CG1 4.39Å; F101-I105 HydrophobicContact CE2-CD1 3.71Å; F101-I105 HydrophobicContact CE2-CG1 4.09Å; F101-I105 HydrophobicContact CE2-CG2 4.11Å; F101-I105 HydrophobicContact CZ-CD1 3.3Å; F101-I105 HydrophobicContact CZ-CG1 4Å; F101-I105 PolarHBondContact O-N 3.15Å; F101-I105 VanDerWaalsContact O-N 3.07Å; F101-V144 HydrophobicContact CE1-CG1 4.09Å
102T94.6Very high89.3Confident1 Ų138.7 Ų38.71%0.00620%0.195CC..Hα-helixtrans-63.6-36.6-177.953.50000111.8S98 R99 W106 N136 V144S98-T102 WeakPolarHBondContact O-CG2 3.09Å; S98-T102 PolarHBondContact O-N 2.72Å; S98-T102 PolarHBondContact O-OG1 3.43Å; S98-T102 VanDerWaalsContact O-OG1 3.1Å; R99-T102 PolarHBondContact O-OG1 3.32Å; T102-W106 WeakPolarHBondContact O-CB 3.34Å; T102-W106 PolarHBondContact O-N 3.17Å; T102-N136 VanDerWaalsContact CB-OD1 3.31Å; T102-N136 WeakPolarHBondContact CB-OD1 3.38Å; T102-N136 PolarHBondContact OG1-OD1 2.64Å; T102-V144 HydrophobicContact CG2-CG1 3.87Å; T102-V144 HydrophobicContact CG2-CG2 3.96Å
103Q95.7Very high90.7Very high4 Ų434.6 Ų34.62%0.01918%0.176CC..Hα-helixtrans-66.4-41173.6179.358.390.700112.3G58 N60 R99 H100 F101 I105 W106 T109 Y131 G135 N136G58-Q103 VanDerWaalsContact CA-OE1 3.25Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.38Å; R99-Q103 WeakPolarHBondContact O-CB 3.38Å; R99-Q103 PolarHBondContact O-N 3.19Å; R99-Q103 VanDerWaalsContact O-N 3.15Å; H100-Q103 PolarHBondContact O-N 2.89Å; F101-Q103 VanDerWaalsContact C-N 3.3Å; F101-Q103 PolarHBondContact O-N 2.66Å; Q103-I105 PolarHBondContact O-N 2.96Å; Q103-W106 WeakPolarHBondContact O-CB 3.39Å; Q103-W106 PolarHBondContact O-N 3.01Å; Q103-T109 PolarHBondContact NE2-OG1 2.92Å; Q103-Y131 HydrophobicContact CG-CD1 4.26Å; Q103-Y131 HydrophobicContact CG-CD2 3.34Å; Q103-Y131 HydrophobicContact CG-CE2 3.66Å; Q103-Y131 HydrophobicContact CG-CG 3.68Å; Q103-G135 VanDerWaalsContact OE1-CA 3.26Å; Q103-N136 PolarHBondContact N-OD1 3.44Å
104M97.2Very high92.1Very high1 Ų130.7 Ų30.71%0.00515%0.149CC..Hα-helixtrans-59.4-46.8176.8-73.3-178.769.600112L17 R18 S78 W81 Y82 H100 F101 W106L17-M104 HydrophobicContact CD1-CE 3.79Å; R18-M104 VanDerWaalsContact CD-O 3.31Å; R18-M104 WeakPolarHBondContact CD-O 3.34Å; R18-M104 WeakPolarHBondContact CG-O 3.45Å; R18-M104 PolarHBondContact NH1-O 2.93Å; S78-M104 VanDerWaalsContact O-CE 3.3Å; S78-M104 WeakPolarHBondContact O-CE 3.49Å; W81-M104 HydrophobicContact CB-CG 4.29Å; W81-M104 HydrophobicContact CB-SD 3.35Å; W81-M104 WeakPolarHBondContact CB-SD 3.23Å; W81-M104 HydrophobicContact CE3-SD 4.39Å; W81-M104 HydrophobicContact CG-SD 4.46Å; Y82-M104 PolarHBondContact N-SD 2.92Å; Y82-M104 VanDerWaalsContact N-SD 3.43Å; H100-M104 WeakPolarHBondContact O-CG 3.38Å; H100-M104 PolarHBondContact O-N 3.42Å; F101-M104 WeakPolarHBondContact O-CB 3.48Å; F101-M104 PolarHBondContact O-N 3.2Å; F101-M104 VanDerWaalsContact O-N 3.13Å; M104-W106 VanDerWaalsContact C-N 3.34Å
105I96.7Very high93.2Very high0 Ų026 Ų260%013%0.13CC..THydrogen-bonded Turntrans-90.37.4-176.771.4158000114.2R18 H21 C23 Y82 F101 Q103 K107 V144R18-I105 HydrophobicContact CG-CG2 4.42Å; H21-I105 HydrophobicContact CB-CD1 4.3Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.34Å; C23-I105 PolarHBondContact SG-O 3.41Å; Y82-I105 HydrophobicContact CD2-CG2 4.2Å; Y82-I105 HydrophobicContact CE2-CG2 4Å; F101-I105 HydrophobicContact CD2-CG2 4.47Å; F101-I105 HydrophobicContact CE1-CD1 3.92Å; F101-I105 HydrophobicContact CE1-CG1 4.39Å; F101-I105 HydrophobicContact CE2-CD1 3.71Å; F101-I105 HydrophobicContact CE2-CG1 4.09Å; F101-I105 HydrophobicContact CE2-CG2 4.11Å; F101-I105 HydrophobicContact CZ-CD1 3.3Å; F101-I105 HydrophobicContact CZ-CG1 4Å; F101-I105 PolarHBondContact O-N 3.15Å; F101-I105 VanDerWaalsContact O-N 3.07Å; Q103-I105 PolarHBondContact O-N 2.96Å; I105-K107 PolarHBondContact O-N 3.13Å; I105-V144 HydrophobicContact CD1-CG1 3.72Å; I105-V144 HydrophobicContact CG1-CG1 4.2Å
106W96.9Very high94.3Very high7 Ų725.1 Ų25.13%0.02713%0.126CC..  trans-58.3110.2-177.1-158.3-100.9000111.8R18 T102 Q103 M104 S108 T109 N136 G138 F140 N143 V144R18-W106 PolarHBondContact NH1-O 3.11Å; R18-W106 PolarHBondContact NH2-O 3.46Å; T102-W106 WeakPolarHBondContact O-CB 3.34Å; T102-W106 PolarHBondContact O-N 3.17Å; Q103-W106 WeakPolarHBondContact O-CB 3.39Å; Q103-W106 PolarHBondContact O-N 3.01Å; M104-W106 VanDerWaalsContact C-N 3.34Å; W106-S108 VanDerWaalsContact C-N 3.27Å; W106-S108 PolarHBondContact O-N 3.34Å; W106-T109 WeakPolarHBondContact CB-OG1 3.32Å; W106-T109 WeakPolarHBondContact O-CB 3.39Å; W106-T109 PolarHBondContact O-N 2.84Å; W106-N136 VanDerWaalsContact CH2-N 3.32Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; W106-G138 WeakPolarHBondContact CH2-O 3.3Å; W106-G138 VanDerWaalsContact CZ2-O 3.29Å; W106-G138 WeakPolarHBondContact CZ2-O 3.31Å; W106-F140 AromaticContact CH2-CD1 3.76Å; W106-F140 HydrophobicContact CH2-CD1 3.76Å; W106-F140 HydrophobicContact CH2-CD2 4.03Å; W106-F140 AromaticContact CH2-CE1 3.81Å; W106-F140 HydrophobicContact CH2-CE1 3.81Å; W106-F140 HydrophobicContact CH2-CE2 4.06Å; W106-F140 AromaticContact CH2-CG 3.86Å; W106-F140 HydrophobicContact CH2-CG 3.86Å; W106-F140 AromaticContact CH2-CZ 3.94Å; W106-F140 HydrophobicContact CH2-CZ 3.94Å; W106-F140 AromaticContact CZ3-CD1 3.45Å; W106-F140 HydrophobicContact CZ3-CD1 3.45Å; W106-F140 VanDerWaalsContact CZ3-CD1 3.45Å; W106-F140 AromaticContact CZ3-CE1 3.49Å; W106-F140 HydrophobicContact CZ3-CE1 3.49Å; W106-F140 VanDerWaalsContact CZ3-CE1 3.49Å; W106-F140 HydrophobicContact CZ3-CG 4.01Å; W106-F140 HydrophobicContact CZ3-CZ 4.06Å; W106-N143 WeakPolarHBondContact CA-O 3.42Å; W106-N143 HydrophobicContact CD2-CB 3.47Å; W106-N143 VanDerWaalsContact CD2-CB 3.47Å; W106-N143 VanDerWaalsContact CE2-CG 3.43Å; W106-N143 HydrophobicContact CE3-CB 3.78Å; W106-N143 HydrophobicContact CG-CB 4.03Å; W106-N143 HydrophobicContact CH2-CB 3.94Å; W106-N143 HydrophobicContact CZ2-CB 3.63Å; W106-N143 HydrophobicContact CZ3-CB 4Å; W106-N143 PolarHBondContact NE1-OD1 3.29Å; W106-V144 HydrophobicContact CE3-CG2 3.74Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å
107K96.7Very high95.4Very high59 Ų5922.1 Ų22.126%0.25711%0.108SC..THydrogen-bonded Turntrans-57.9-36.3-171-167.7179.3-178.5-179.30113.7I105 W142 N143I105-K107 PolarHBondContact O-N 3.13Å; K107-W142 HydrophobicContact CD-CD2 4.39Å; K107-W142 HydrophobicContact CD-CZ2 4.16Å; K107-W142 WeakPolarHBondContact CD-O 3.49Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.28Å; K107-W142 VanDerWaalsContact NZ-CZ3 3.33Å; K107-N143 HydrophobicContact CB-CB 4.5Å; K107-N143 PolarHBondContact N-O 3.03Å
108S97Very high96.3Very high52 Ų5223.9 Ų23.936%0.36411%0.114SC..THydrogen-bonded Turntrans-85.6-8-179.5-54.20000114.3W106 P133 N143W106-S108 VanDerWaalsContact C-N 3.27Å; W106-S108 PolarHBondContact O-N 3.34Å; S108-P133 WeakPolarHBondContact O-CD 3.36Å; S108-N143 WeakPolarHBondContact CB-OD1 3.5Å; S108-N143 PolarHBondContact N-OD1 2.92Å; S108-N143 PolarHBondContact OG-OD1 3.33Å
109T98.2Very high96.6Very high1 Ų124 Ų241%0.00612%0.115CC..  trans-76.3132.7169.5-62.40000108.5R18 L26 Q103 W106 Y131 P133R18-T109 PolarHBondContact NH2-O 3.26Å; L26-T109 HydrophobicContact CD2-CG2 3.74Å; L26-T109 WeakPolarHBondContact CD2-O 3.2Å; Q103-T109 PolarHBondContact NE2-OG1 2.92Å; W106-T109 WeakPolarHBondContact CB-OG1 3.32Å; W106-T109 WeakPolarHBondContact O-CB 3.39Å; W106-T109 PolarHBondContact O-N 2.84Å; T109-Y131 HydrophobicContact CG2-CD1 4.21Å; T109-Y131 HydrophobicContact CG2-CG 4.47Å; T109-P133 WeakPolarHBondContact CB-O 3.5Å; T109-P133 PolarHBondContact OG1-O 2.85Å
110T98.3Very high96.7Very high71 Ų7128.8 Ų28.844%0.43614%0.141SC..  trans-123.9-21.4-173.856.50000113.9L26 Q27 L132L26-T110 WeakPolarHBondContact CA-O 3.32Å; Q27-T110 PolarHBondContact N-O 3.17Å; T110-L132 PolarHBondContact N-O 3.41Å; T110-L132 PolarHBondContact OG1-O 3.47Å
111R98.5Very high96.7Very high96 Ų9632.2 Ų32.236%0.36216%0.16SC..EExtended strand (participates in β ladder)trans-127.2145.8-178.3-67-173.5-68.4166.9-10.4111.3Q27 D29 L32 Y131 L132Q27-R111 CarbonylContact O-C 3.58Å; Q27-R111 WeakPolarHBondContact O-CA 3.49Å; D29-R111 HydrophobicContact CB-CB 4.05Å; D29-R111 HydrophobicContact CB-CG 4.46Å; D29-R111 VanDerWaalsContact OD2-CD 3.31Å; D29-R111 WeakPolarHBondContact OD2-CD 3.17Å; D29-R111 IonicContact OD2-CZ 3.91Å; D29-R111 IonicContact OD2-NE 3.49Å; D29-R111 IonicContact OD2-NH1 2.77Å; D29-R111 PolarHBondContact OD2-NH1 2.87Å; L32-R111 HydrophobicContact CD1-CB 4.17Å; R111-Y131 WeakPolarHBondContact O-CA 3.4Å; R111-L132 HydrophobicContact CB-CB 4.47Å; R111-L132 PolarHBondContact N-O 3.14Å; R111-L132 VanDerWaalsContact NH2-CD2 3.3Å; R111-L132 PolarHBondContact O-N 3.09Å
112A98.5Very high96.7Very high0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-144.8162173.600000112.9I11 L26 Q27 L28 D29 F114 R130 Y131I11-A112 HydrophobicContact CD1-CB 4.25Å; L26-A112 HydrophobicContact CD1-CB 4.04Å; Q27-A112 PolarHBondContact O-N 2.99Å; L28-A112 CarbonylContact C-O 3.56Å; L28-A112 WeakPolarHBondContact CA-O 3.26Å; D29-A112 PolarHBondContact N-O 2.9Å; A112-F114 HydrophobicContact CB-CE2 4.21Å; A112-F114 HydrophobicContact CB-CZ 3.95Å; A112-R130 CarbonylContact C-O 3.56Å; A112-R130 WeakPolarHBondContact CA-O 3.4Å; A112-R130 WeakPolarHBondContact CB-O 3.41Å; A112-Y131 HydrophobicContact CB-CD1 3.98Å; A112-Y131 HydrophobicContact CB-CE1 4.24Å
113G98.4Very high96.6Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-155147.317200000110.9R130G113-R130 PolarHBondContact N-O 3.2Å; G113-R130 PolarHBondContact O-N 2.86Å
114F98.5Very high96.4Very high1 Ų140.5 Ų40.50%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-128142.8-170.1-49.6-84.1000112.1F6 N7 A10 I11 H14 L28 W81 A112 V128 Y131F6-F114 HydrophobicContact CD1-CB 4.2Å; F6-F114 HydrophobicContact CE1-CB 3.98Å; N7-F114 PolarHBondContact ND2-O 2.85Å; N7-F114 WeakPolarHBondContact OD1-CA 3.08Å; N7-F114 WeakPolarHBondContact OD1-CB 3.45Å; N7-F114 WeakPolarHBondContact OD1-CD2 2.88Å; N7-F114 PolarHBondContact OD1-N 3.39Å; N7-F114 PolarHBondContact OD1-O 3.12Å; A10-F114 HydrophobicContact CB-CB 4.39Å; A10-F114 HydrophobicContact CB-CD1 4.05Å; A10-F114 HydrophobicContact CB-CD2 3.51Å; A10-F114 HydrophobicContact CB-CE1 4.21Å; A10-F114 HydrophobicContact CB-CE2 3.67Å; A10-F114 HydrophobicContact CB-CG 3.71Å; A10-F114 HydrophobicContact CB-CZ 4.03Å; I11-F114 HydrophobicContact CB-CE2 4.29Å; I11-F114 HydrophobicContact CD1-CE2 4.11Å; H14-F114 AromaticContact CD2-CZ 3.98Å; H14-F114 AromaticContact CE1-CE1 3.38Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.21Å; H14-F114 AromaticContact CE1-CZ 3.53Å; H14-F114 AromaticContact ND1-CZ 3.73Å; H14-F114 AromaticContact NE2-CE1 3.53Å; H14-F114 AromaticContact NE2-CZ 3.68Å; L28-F114 HydrophobicContact CD2-CD2 4.05Å; L28-F114 HydrophobicContact CD2-CE2 4.1Å; W81-F114 HydrophobicContact CH2-CD1 4.45Å; W81-F114 HydrophobicContact CZ3-CD1 4.19Å; W81-F114 HydrophobicContact CZ3-CE1 4.05Å; A112-F114 HydrophobicContact CB-CE2 4.21Å; A112-F114 HydrophobicContact CB-CZ 3.95Å; F114-V128 CarbonylContact C-O 3.58Å; F114-V128 VanDerWaalsContact CA-O 3.32Å; F114-V128 WeakPolarHBondContact CA-O 2.82Å; F114-Y131 HydrophobicContact CE1-CE1 4.47Å
115G98.2Very high96.2Very high0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-125144.2177.700000111.6V127 V128G115-V127 WeakPolarHBondContact O-CA 3.38Å; G115-V128 PolarHBondContact N-O 3.13Å; G115-V128 PolarHBondContact O-N 2.95Å
116L97.7Very high96.2Very high12 Ų1240.6 Ų40.66%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-137.2127176.3167.163000109.3F6 Q37 I72 F118 A125 Y126 V127F6-L116 HydrophobicContact CD1-CB 4.07Å; F6-L116 HydrophobicContact CD2-CB 4.36Å; F6-L116 HydrophobicContact CD2-CD2 3.64Å; F6-L116 HydrophobicContact CE1-CB 4.05Å; F6-L116 HydrophobicContact CE2-CB 4.34Å; F6-L116 HydrophobicContact CE2-CD2 3.89Å; F6-L116 HydrophobicContact CG-CB 4.23Å; F6-L116 HydrophobicContact CG-CD2 4.11Å; F6-L116 HydrophobicContact CZ-CB 4.19Å; Q37-L116 PolarHBondContact NE2-O 3.35Å; Q37-L116 PolarHBondContact OE1-O 3.35Å; I72-L116 HydrophobicContact CG2-CD1 3.7Å; I72-L116 HydrophobicContact CG2-CD2 4.12Å; L116-F118 HydrophobicContact CD1-CE1 4.4Å; L116-F118 HydrophobicContact CD1-CE2 4.02Å; L116-F118 HydrophobicContact CD1-CZ 3.93Å; L116-F118 HydrophobicContact CD2-CE2 3.89Å; L116-F118 HydrophobicContact CD2-CZ 3.92Å; L116-F118 HydrophobicContact CG-CE2 3.87Å; L116-F118 HydrophobicContact CG-CZ 4.14Å; L116-A125 HydrophobicContact CD1-CB 4.08Å; L116-Y126 WeakPolarHBondContact CA-O 3.21Å; L116-V127 HydrophobicContact CB-CG2 4.43Å; L116-V127 HydrophobicContact CD1-CG2 3.6Å
117A97.5Very high96.2Very high10 Ų1040.3 Ų40.38%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-134.4159.7170.500000110.6A40 E41 A44 A125 Y126A40-A117 VanDerWaalsContact C-CB 3.43Å; A40-A117 HydrophobicContact CB-CB 3.95Å; A40-A117 WeakPolarHBondContact O-CB 3.48Å; E41-A117 HydrophobicContact CB-CB 4.49Å; E41-A117 HydrophobicContact CG-CB 4.04Å; A44-A117 HydrophobicContact CB-CB 3.78Å; A117-A125 WeakPolarHBondContact O-CA 3.39Å; A117-Y126 PolarHBondContact N-O 3.45Å; A117-Y126 PolarHBondContact O-N 2.73Å
118F96.1Very high96.2Very high73 Ų7337.5 Ų37.532%0.3219%0.187SC..EExtended strand (participates in β ladder)trans-119.5152178.8-64.3-88.8000110.5C70 L116 K124 A125C70-F118 HydrophobicContact CB-CD1 4.23Å; C70-F118 HydrophobicContact CB-CE1 4.1Å; C70-F118 WeakPolarHBondContact O-CE1 3.25Å; L116-F118 HydrophobicContact CD1-CE1 4.4Å; L116-F118 HydrophobicContact CD1-CE2 4.02Å; L116-F118 HydrophobicContact CD1-CZ 3.93Å; L116-F118 HydrophobicContact CD2-CE2 3.89Å; L116-F118 HydrophobicContact CD2-CZ 3.92Å; L116-F118 HydrophobicContact CG-CE2 3.87Å; L116-F118 HydrophobicContact CG-CZ 4.14Å; F118-K124 CarbonylContact C-O 3.52Å; F118-K124 WeakPolarHBondContact CA-O 3.41Å; F118-A125 HydrophobicContact CD1-CB 3.81Å; F118-A125 HydrophobicContact CE1-CB 3.64Å
119S94.7Very high96.2Very high3 Ų335 Ų352%0.02117%0.17CC..  trans-60.4163.5167.651.70000111.3D121 Q122 T123 K124S119-D121 VanDerWaalsContact CB-OD1 3.26Å; S119-D121 WeakPolarHBondContact CB-OD1 3.36Å; S119-D121 PolarHBondContact O-N 3.15Å; S119-D121 PolarHBondContact OG-OD1 3.13Å; S119-Q122 WeakPolarHBondContact O-CA 3.36Å; S119-Q122 PolarHBondContact O-N 3.1Å; S119-T123 PolarHBondContact OG-N 2.88Å; S119-K124 PolarHBondContact N-O 3.03Å; S119-K124 WeakPolarHBondContact OG-CB 3.38Å; S119-K124 PolarHBondContact OG-N 2.92Å; S119-K124 PolarHBondContact OG-O 2.62Å
120Q94Very high96.2Very high198 Ų19835 Ų3593%0.92517%0.17SC*.THydrogen-bonded Turntrans-58.8-32.6-176.8-172.3177.813.800113.5Q122Q120-Q122 VanDerWaalsContact C-N 3.32Å
121D93.3Very high96.2Very high88 Ų8831.6 Ų31.647%0.47115%0.149SC..THydrogen-bonded Turntrans-85.9-0.6175.567.2-13.7000113.7S119 T123S119-D121 VanDerWaalsContact CB-OD1 3.26Å; S119-D121 WeakPolarHBondContact CB-OD1 3.36Å; S119-D121 PolarHBondContact O-N 3.15Å; S119-D121 PolarHBondContact OG-OD1 3.13Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 3.2Å; D121-T123 VanDerWaalsContact O-N 3.12Å; D121-T123 PolarHBondContact OD1-N 2.98Å; D121-T123 VanDerWaalsContact OD1-N 3.13Å; D121-T123 PolarHBondContact OD1-OG1 3.37Å; D121-T123 WeakPolarHBondContact OD2-CB 3.46Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.3Å; D121-T123 PolarHBondContact OD2-OG1 3.45Å
122Q93.8Very high96.1Very high115 Ų11529.3 Ų29.354%0.53714%0.144SC..SBendtrans58.710.7-174.5-54.1179.939.800115.5P69 C70 S119 Q120 K124P69-Q122 HydrophobicContact CB-CB 4.36Å; C70-Q122 WeakPolarHBondContact CB-O 3.31Å; C70-Q122 PolarHBondContact N-O 2.83Å; S119-Q122 WeakPolarHBondContact O-CA 3.36Å; S119-Q122 PolarHBondContact O-N 3.1Å; Q120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-K124 VanDerWaalsContact C-N 3.35Å
123T92.6Very high96Very high29 Ų2932.3 Ų32.318%0.17816%0.163CC..SBendtrans-77.7-21-179.465.30000113M65 S66 S119 D121M65-T123 CarbonylContact C-O 3.52Å; M65-T123 WeakPolarHBondContact CA-O 3.19Å; S66-T123 PolarHBondContact N-O 3.2Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 PolarHBondContact OG-N 2.88Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 3.2Å; D121-T123 VanDerWaalsContact O-N 3.12Å; D121-T123 PolarHBondContact OD1-N 2.98Å; D121-T123 VanDerWaalsContact OD1-N 3.13Å; D121-T123 PolarHBondContact OD1-OG1 3.37Å; D121-T123 WeakPolarHBondContact OD2-CB 3.46Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.3Å; D121-T123 PolarHBondContact OD2-OG1 3.45Å
124K91.4Very high95.8Very high35 Ų3534 Ų3415%0.15217%0.173CC..EExtended strand (participates in β ladder)trans-118.8139.4-178.6-51.3165.6-163.9164.60110.4E47 F63 K64 M65 F118 S119 Q122 Y126E47-K124 IonicContact OE1-NZ 2.67Å; E47-K124 PolarHBondContact OE1-NZ 2.9Å; E47-K124 IonicContact OE2-NZ 3.22Å; E47-K124 PolarHBondContact OE2-NZ 3.26Å; F63-K124 HydrophobicContact CE2-CB 3.74Å; F63-K124 HydrophobicContact CE2-CD 4.19Å; F63-K124 HydrophobicContact CE2-CG 4.08Å; F63-K124 HydrophobicContact CZ-CB 4.07Å; F63-K124 HydrophobicContact CZ-CD 4.17Å; F63-K124 HydrophobicContact CZ-CG 3.96Å; K64-K124 CarbonylContact O-C 3.51Å; K64-K124 WeakPolarHBondContact O-CA 3.38Å; M65-K124 HydrophobicContact CG-CG 4.11Å; M65-K124 HydrophobicContact SD-CG 4.07Å; F118-K124 CarbonylContact C-O 3.52Å; F118-K124 WeakPolarHBondContact CA-O 3.41Å; S119-K124 PolarHBondContact N-O 3.03Å; S119-K124 WeakPolarHBondContact OG-CB 3.38Å; S119-K124 PolarHBondContact OG-N 2.92Å; S119-K124 PolarHBondContact OG-O 2.62Å; Q122-K124 VanDerWaalsContact C-N 3.35Å; K124-Y126 HydrophobicContact CB-CE2 3.78Å; K124-Y126 HydrophobicContact CD-CE2 4.46Å
125A93.9Very high95.6Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-115.2132.9171.600000109.8F63 K64 C70 I72 L116 A117 F118F63-A125 WeakPolarHBondContact CA-O 3.43Å; K64-A125 HydrophobicContact CB-CB 4.46Å; K64-A125 PolarHBondContact N-O 3.13Å; K64-A125 PolarHBondContact O-N 3.06Å; C70-A125 HydrophobicContact CB-CB 4.47Å; I72-A125 HydrophobicContact CG2-CB 3.9Å; L116-A125 HydrophobicContact CD1-CB 4.08Å; A117-A125 WeakPolarHBondContact O-CA 3.39Å; F118-A125 HydrophobicContact CD1-CB 3.81Å; F118-A125 HydrophobicContact CE1-CB 3.64Å
126Y95.5Very high95.2Very high3 Ų335.9 Ų35.91%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-116.2126.1176.6-62-97.8000108.2L43 A44 E47 L49 F63 L116 A117 K124L43-Y126 HydrophobicContact CB-CD1 3.79Å; L43-Y126 HydrophobicContact CB-CG 4.15Å; A44-Y126 VanDerWaalsContact CA-CD2 3.5Å; A44-Y126 HydrophobicContact CB-CD2 3.62Å; A44-Y126 HydrophobicContact CB-CE2 4.12Å; A44-Y126 HydrophobicContact CB-CG 4.23Å; E47-Y126 VanDerWaalsContact C-OH 3.31Å; E47-Y126 VanDerWaalsContact CA-OH 3.26Å; E47-Y126 WeakPolarHBondContact CA-OH 3.41Å; E47-Y126 PolarHBondContact O-OH 2.74Å; L49-Y126 HydrophobicContact CD1-CD1 4.22Å; F63-Y126 AromaticContact CD2-CD1 3.84Å; F63-Y126 HydrophobicContact CD2-CD1 3.84Å; F63-Y126 AromaticContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE2 4.41Å; F63-Y126 HydrophobicContact CD2-CG 4.35Å; F63-Y126 AromaticContact CD2-CZ 3.91Å; F63-Y126 HydrophobicContact CE2-CD1 4.34Å; F63-Y126 AromaticContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE2 4.08Å; F63-Y126 AromaticContact CE2-CZ 3.54Å; L116-Y126 WeakPolarHBondContact CA-O 3.21Å; A117-Y126 PolarHBondContact N-O 3.45Å; A117-Y126 PolarHBondContact O-N 2.73Å; K124-Y126 HydrophobicContact CB-CE2 3.78Å; K124-Y126 HydrophobicContact CD-CE2 4.46Å
127V97Very high94.7Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-127.7138.9-175174.30000110.5F6 L61 A62 I72 V77 W81 G115 L116F6-V127 HydrophobicContact CE1-CG1 4.03Å; F6-V127 HydrophobicContact CZ-CB 4.49Å; F6-V127 HydrophobicContact CZ-CG1 3.71Å; F6-V127 HydrophobicContact CZ-CG2 3.89Å; L61-V127 WeakPolarHBondContact CA-O 3.31Å; A62-V127 HydrophobicContact CB-CB 4.14Å; A62-V127 PolarHBondContact N-O 2.75Å; A62-V127 PolarHBondContact O-N 3.49Å; I72-V127 HydrophobicContact CD1-CG2 4.39Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å; V77-V127 HydrophobicContact CG1-CG1 3.88Å; V77-V127 HydrophobicContact CG2-CB 4.46Å; V77-V127 HydrophobicContact CG2-CG1 4.12Å; V77-V127 HydrophobicContact CG2-CG2 4.16Å; W81-V127 HydrophobicContact CH2-CG1 4.12Å; W81-V127 HydrophobicContact CZ2-CG1 4.24Å; G115-V127 WeakPolarHBondContact O-CA 3.38Å; L116-V127 HydrophobicContact CB-CG2 4.43Å; L116-V127 HydrophobicContact CD1-CG2 3.6Å
128V97Very high94Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-128.4127.5179-174.40000108.5A36 W39 A40 L43 E59 L61 F114 G115 R130A36-V128 HydrophobicContact CB-CB 4.29Å; A36-V128 HydrophobicContact CB-CG1 4.22Å; W39-V128 HydrophobicContact CB-CG1 4.36Å; W39-V128 HydrophobicContact CB-CG2 4.15Å; W39-V128 HydrophobicContact CG-CG2 4.32Å; A40-V128 HydrophobicContact CB-CG2 3.9Å; L43-V128 HydrophobicContact CD1-CG2 3.69Å; E59-V128 HydrophobicContact CG-CG1 4.16Å; L61-V128 HydrophobicContact CD2-CB 4.28Å; L61-V128 HydrophobicContact CD2-CG1 4.07Å; L61-V128 HydrophobicContact CD2-CG2 3.83Å; F114-V128 CarbonylContact C-O 3.58Å; F114-V128 VanDerWaalsContact CA-O 3.32Å; F114-V128 WeakPolarHBondContact CA-O 2.82Å; G115-V128 PolarHBondContact N-O 3.13Å; G115-V128 PolarHBondContact O-N 2.95Å; V128-R130 HydrophobicContact CG1-CG 4.1Å
129G97.7Very high93.6Very high0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-108.6134166.800000109.7E59 N60E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.32Å; E59-G129 WeakPolarHBondContact CA-O 3.41Å; N60-G129 PolarHBondContact N-O 3.09Å; N60-G129 PolarHBondContact O-N 2.89Å
130R97.7Very high93.4Very high1 Ų146.3 Ų46.30%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-120.9141.7-179.9-66.5-66.7-173.967.4-8.5110.1L32 S35 A36 S52 Y57 G58 E59 A112 G113 V128L32-R130 HydrophobicContact CB-CB 4.22Å; L32-R130 HydrophobicContact CD2-CB 4.26Å; S35-R130 PolarHBondContact OG-NH1 3.12Å; A36-R130 HydrophobicContact CB-CB 4.34Å; A36-R130 HydrophobicContact CB-CG 3.65Å; S52-R130 PolarHBondContact OG-NH2 2.88Å; S52-R130 VanDerWaalsContact OG-NH2 3.09Å; Y57-R130 VanDerWaalsContact CE2-NE 3.29Å; Y57-R130 VanDerWaalsContact CZ-CZ 3.46Å; Y57-R130 PolarHBondContact OH-NH1 3.42Å; G58-R130 WeakPolarHBondContact O-CA 3.42Å; E59-R130 IonicContact OE2-CZ 3.49Å; E59-R130 IonicContact OE2-NE 3.7Å; E59-R130 PolarHBondContact OE2-NE 3.44Å; E59-R130 IonicContact OE2-NH2 2.65Å; E59-R130 PolarHBondContact OE2-NH2 3.14Å; A112-R130 CarbonylContact C-O 3.56Å; A112-R130 WeakPolarHBondContact CA-O 3.4Å; A112-R130 WeakPolarHBondContact CB-O 3.41Å; G113-R130 PolarHBondContact N-O 3.2Å; G113-R130 PolarHBondContact O-N 2.86Å; V128-R130 HydrophobicContact CG1-CG 4.1Å
131Y98.2Very high93Very high0 Ų040.7 Ų40.70%024%0.241CC..EExtended strand (participates in β ladder)trans-138139.9-168.5-57.3-86.7000111.6H14 L26 G58 N60 W81 Q103 T109 R111 A112 F114H14-Y131 AromaticContact CD2-CE1 3.87Å; H14-Y131 AromaticContact NE2-CE1 3.68Å; H14-Y131 AromaticContact NE2-CZ 3.69Å; H14-Y131 PolarHBondContact NE2-OH 3.03Å; L26-Y131 HydrophobicContact CD1-CD1 4.42Å; L26-Y131 HydrophobicContact CD1-CE1 4.44Å; G58-Y131 PolarHBondContact N-O 2.91Å; G58-Y131 PolarHBondContact O-N 3.02Å; N60-Y131 HydrophobicContact CB-CE2 3.73Å; N60-Y131 PolarHBondContact ND2-OH 3.06Å; N60-Y131 VanDerWaalsContact ND2-OH 3.1Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.29Å; Q103-Y131 HydrophobicContact CG-CD1 4.26Å; Q103-Y131 HydrophobicContact CG-CD2 3.34Å; Q103-Y131 HydrophobicContact CG-CE2 3.66Å; Q103-Y131 HydrophobicContact CG-CG 3.68Å; T109-Y131 HydrophobicContact CG2-CD1 4.21Å; T109-Y131 HydrophobicContact CG2-CG 4.47Å; R111-Y131 WeakPolarHBondContact O-CA 3.4Å; A112-Y131 HydrophobicContact CB-CD1 3.98Å; A112-Y131 HydrophobicContact CB-CE1 4.24Å; F114-Y131 HydrophobicContact CE1-CE1 4.47Å
132L97.2Very high92.9Very high48 Ų4844.2 Ų44.225%0.25125%0.248SC..EExtended strand (participates in β ladder)trans-147.5135-180-165.765.2000111.7L32 D56 T110 R111L32-L132 HydrophobicContact CD1-CB 3.9Å; D56-L132 WeakPolarHBondContact O-CD1 3.23Å; T110-L132 PolarHBondContact N-O 3.41Å; T110-L132 PolarHBondContact OG1-O 3.47Å; R111-L132 HydrophobicContact CB-CB 4.47Å; R111-L132 PolarHBondContact N-O 3.14Å; R111-L132 VanDerWaalsContact NH2-CD2 3.3Å; R111-L132 PolarHBondContact O-N 3.09Å
133P96.3Very high93Very high62 Ų6239 Ų3940%0.40322%0.224SC..SBendcis-48.5150.5-18.3-27.935.4000113.9S108 T109S108-P133 WeakPolarHBondContact O-CD 3.36Å; T109-P133 WeakPolarHBondContact CB-O 3.5Å; T109-P133 PolarHBondContact OG1-O 2.85Å
134V94.3Very high93Very high35 Ų3538 Ų3821%0.21222%0.217CC..  trans-56.6132.8175.450.90000111.9Y57 K137Y57-V134 WeakPolarHBondContact O-CB 3.47Å; Y57-V134 WeakPolarHBondContact O-CG2 3.26Å; V134-K137 HydrophobicContact CG1-CD 3.86Å; V134-K137 HydrophobicContact CG2-CD 3.99Å; V134-K137 VanDerWaalsContact CG2-CE 3.49Å; V134-K137 HydrophobicContact CG2-CG 4.3Å
135G93.1Very high93.1Very high3 Ų337.5 Ų37.53%0.03122%0.217CC..  trans-89.5-171.6173.800000113Q103 K137Q103-G135 VanDerWaalsContact OE1-CA 3.26Å; G135-K137 PolarHBondContact O-N 2.8Å
136N91.2Very high93Very high39 Ų3942.6 Ų42.621%0.20924%0.241CC..SBendtrans57.917.7175.7-59.7-19.6000115.4R99 T102 Q103 W106 F140R99-N136 PolarHBondContact O-ND2 3.32Å; T102-N136 VanDerWaalsContact CB-OD1 3.31Å; T102-N136 WeakPolarHBondContact CB-OD1 3.38Å; T102-N136 PolarHBondContact OG1-OD1 2.64Å; Q103-N136 PolarHBondContact N-OD1 3.44Å; W106-N136 VanDerWaalsContact CH2-N 3.32Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; N136-F140 HydrophobicContact CB-CE1 4.45Å; N136-F140 HydrophobicContact CB-CZ 4.13Å
137K85.4Confident92.7Very high126 Ų12645.6 Ų45.655%0.54825%0.253SS..SBendtrans-114.296.5176.1-67.2-174.7-173.8173.90109.8N55 V134 G135N55-K137 PolarHBondContact O-NZ 3.37Å; V134-K137 HydrophobicContact CG1-CD 3.86Å; V134-K137 HydrophobicContact CG2-CD 3.99Å; V134-K137 VanDerWaalsContact CG2-CE 3.49Å; V134-K137 HydrophobicContact CG2-CG 4.3Å; G135-K137 PolarHBondContact O-N 2.8Å
138G83.3Confident92.2Very high44 Ų4450.8 Ų50.845%0.45428%0.277SS..SBendtrans64.9-172.4179.500000114.2W106 F140W106-G138 WeakPolarHBondContact CH2-O 3.3Å; W106-G138 VanDerWaalsContact CZ2-O 3.29Å; W106-G138 WeakPolarHBondContact CZ2-O 3.31Å; G138-F140 WeakPolarHBondContact O-CD2 3.4Å; G138-F140 PolarHBondContact O-N 2.9Å
139D86.9Confident91Very high126 Ų12651.5 Ų51.567%0.67429%0.285SS*.  trans47.131.2165.3-58.9-13.1000117.7G141 W142 N143D139-G141 VanDerWaalsContact C-N 3.32Å; D139-G141 PolarHBondContact O-N 2.96Å; D139-W142 PolarHBondContact O-N 2.79Å; D139-W142 VanDerWaalsContact O-N 3.08Å; D139-N143 WeakPolarHBondContact CB-ND2 3.47Å; D139-N143 PolarHBondContact O-N 3.3Å; D139-N143 PolarHBondContact O-ND2 3.16Å
140F90.5Very high89.4Confident20 Ų2057.1 Ų57.19%0.08831%0.313CS..Hα-helixtrans-59.3-39.9-178.5-73.9-99000112.6S93 Y94 W106 N136 G138 W142 N143 V144S93-F140 WeakPolarHBondContact O-CB 3.31Å; S93-F140 WeakPolarHBondContact O-CD1 3.49Å; S93-F140 WeakPolarHBondContact O-CD2 3.17Å; S93-F140 WeakPolarHBondContact O-CG 3.36Å; Y94-F140 AromaticContact CD2-CE1 3.95Å; Y94-F140 HydrophobicContact CD2-CE1 3.95Å; Y94-F140 HydrophobicContact CD2-CE2 4.3Å; Y94-F140 AromaticContact CD2-CZ 3.54Å; Y94-F140 HydrophobicContact CD2-CZ 3.54Å; Y94-F140 HydrophobicContact CE2-CZ 4.31Å; Y94-F140 HydrophobicContact CG-CZ 4.43Å; W106-F140 AromaticContact CH2-CD1 3.76Å; W106-F140 HydrophobicContact CH2-CD1 3.76Å; W106-F140 HydrophobicContact CH2-CD2 4.03Å; W106-F140 AromaticContact CH2-CE1 3.81Å; W106-F140 HydrophobicContact CH2-CE1 3.81Å; W106-F140 HydrophobicContact CH2-CE2 4.06Å; W106-F140 AromaticContact CH2-CG 3.86Å; W106-F140 HydrophobicContact CH2-CG 3.86Å; W106-F140 AromaticContact CH2-CZ 3.94Å; W106-F140 HydrophobicContact CH2-CZ 3.94Å; W106-F140 AromaticContact CZ3-CD1 3.45Å; W106-F140 HydrophobicContact CZ3-CD1 3.45Å; W106-F140 VanDerWaalsContact CZ3-CD1 3.45Å; W106-F140 AromaticContact CZ3-CE1 3.49Å; W106-F140 HydrophobicContact CZ3-CE1 3.49Å; W106-F140 VanDerWaalsContact CZ3-CE1 3.49Å; W106-F140 HydrophobicContact CZ3-CG 4.01Å; W106-F140 HydrophobicContact CZ3-CZ 4.06Å; N136-F140 HydrophobicContact CB-CE1 4.45Å; N136-F140 HydrophobicContact CB-CZ 4.13Å; G138-F140 WeakPolarHBondContact O-CD2 3.4Å; G138-F140 PolarHBondContact O-N 2.9Å; F140-W142 PolarHBondContact O-N 2.83Å; F140-W142 VanDerWaalsContact O-N 3.12Å; F140-N143 PolarHBondContact O-N 3.4Å; F140-N143 VanDerWaalsContact O-N 3.16Å; F140-V144 HydrophobicContact CB-CG2 4.43Å; F140-V144 HydrophobicContact CD1-CG2 3.87Å; F140-V144 WeakPolarHBondContact O-CA 3.47Å; F140-V144 WeakPolarHBondContact O-CB 3.49Å; F140-V144 PolarHBondContact O-N 3.31Å
141G87.5Confident87.4Confident81 Ų8164.7 Ų64.784%0.83535%0.346SS*.Hα-helixtrans-62.3-18.617700000115D139D139-G141 VanDerWaalsContact C-N 3.32Å; D139-G141 PolarHBondContact O-N 2.96Å
142W90.9Very high84.8Confident162 Ų16274.3 Ų74.361%0.61438%0.383SS*.Hα-helixtrans-96.6-37.7170.8172.4-109.1000112.6K107 D139 F140K107-W142 HydrophobicContact CD-CD2 4.39Å; K107-W142 HydrophobicContact CD-CZ2 4.16Å; K107-W142 WeakPolarHBondContact CD-O 3.49Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.28Å; K107-W142 VanDerWaalsContact NZ-CZ3 3.33Å; D139-W142 PolarHBondContact O-N 2.79Å; D139-W142 VanDerWaalsContact O-N 3.08Å; F140-W142 PolarHBondContact O-N 2.83Å; F140-W142 VanDerWaalsContact O-N 3.12Å
143N94.6Very high82.3Confident6 Ų678.6 Ų78.63%0.03242%0.417CS..Hα-helixtrans-89.8-18-171.5-73.6-72.8000115.1W106 K107 S108 D139 F140 P145W106-N143 WeakPolarHBondContact CA-O 3.42Å; W106-N143 HydrophobicContact CD2-CB 3.47Å; W106-N143 VanDerWaalsContact CD2-CB 3.47Å; W106-N143 VanDerWaalsContact CE2-CG 3.43Å; W106-N143 HydrophobicContact CE3-CB 3.78Å; W106-N143 HydrophobicContact CG-CB 4.03Å; W106-N143 HydrophobicContact CH2-CB 3.94Å; W106-N143 HydrophobicContact CZ2-CB 3.63Å; W106-N143 HydrophobicContact CZ3-CB 4Å; W106-N143 PolarHBondContact NE1-OD1 3.29Å; K107-N143 HydrophobicContact CB-CB 4.5Å; K107-N143 PolarHBondContact N-O 3.03Å; S108-N143 WeakPolarHBondContact CB-OD1 3.5Å; S108-N143 PolarHBondContact N-OD1 2.92Å; S108-N143 PolarHBondContact OG-OD1 3.33Å; D139-N143 WeakPolarHBondContact CB-ND2 3.47Å; D139-N143 PolarHBondContact O-N 3.3Å; D139-N143 PolarHBondContact O-ND2 3.16Å; F140-N143 PolarHBondContact O-N 3.4Å; F140-N143 VanDerWaalsContact O-N 3.16Å; N143-P145 VanDerWaalsContact O-CD 3.26Å; N143-P145 WeakPolarHBondContact O-CD 3.28Å
144V93.9Very high79.8Confident8 Ų878.3 Ų78.35%0.04843%0.425CS..SBendtrans-120.366.7-179.3-170.20000108.9F90 F101 T102 I105 W106 F140F90-V144 HydrophobicContact CE1-CG1 4.35Å; F101-V144 HydrophobicContact CE1-CG1 4.09Å; T102-V144 HydrophobicContact CG2-CG1 3.87Å; T102-V144 HydrophobicContact CG2-CG2 3.96Å; I105-V144 HydrophobicContact CD1-CG1 3.72Å; I105-V144 HydrophobicContact CG1-CG1 4.2Å; W106-V144 HydrophobicContact CE3-CG2 3.74Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å; F140-V144 HydrophobicContact CB-CG2 4.43Å; F140-V144 HydrophobicContact CD1-CG2 3.87Å; F140-V144 WeakPolarHBondContact O-CA 3.47Å; F140-V144 WeakPolarHBondContact O-CB 3.49Å; F140-V144 PolarHBondContact O-N 3.31Å
145P92.6Very high77.3Confident23 Ų2383 Ų8315%0.14945%0.449CS..PPolyproline II helixtrans-62.8149.5179.223.3-30.3000111.5H21 C23 N143H21-P145 HydrophobicContact CB-CG 4.22Å; H21-P145 PolarHBondContact ND1-O 3.08Å; H21-P145 VanDerWaalsContact O-CG 3.23Å; H21-P145 WeakPolarHBondContact O-CG 3.1Å; C23-P145 WeakPolarHBondContact SG-CG 3.38Å; N143-P145 VanDerWaalsContact O-CD 3.26Å; N143-P145 WeakPolarHBondContact O-CD 3.28Å
146H91.5Very high74.6Confident108 Ų10890 Ų9050%0.549%0.486SS..PPolyproline II helixtrans-55.4155.6172.9-71.5-108.9000111.6F90 Q148F90-H146 WeakPolarHBondContact CB-CE1 3.4Å; F90-H146 AromaticContact CG-CE1 3.98Å; F90-H146 AromaticContact CG-ND1 3.84Å; H146-Q148 WeakPolarHBondContact O-CG 3.17Å; H146-Q148 PolarHBondContact O-N 3.49Å
147Y89.9Confident72Confident65 Ų6596.9 Ų96.926%0.25552%0.517SS..PPolyproline II helixtrans-57.4124.3169.6177.1-99.4000110.6L20 F200 L204L20-Y147 HydrophobicContact CB-CD2 3.95Å; L20-Y147 HydrophobicContact CB-CE2 3.76Å; L20-Y147 HydrophobicContact CD1-CE2 4.18Å; L20-Y147 HydrophobicContact CD2-CE2 4.33Å; L20-Y147 HydrophobicContact CG-CE2 4.3Å; Y147-F200 HydrophobicContact CD1-CE2 4.18Å; Y147-F200 HydrophobicContact CE1-CE2 4.3Å; Y147-F200 HydrophobicContact CG-CE2 4.37Å; Y147-L204 HydrophobicContact CD2-CD2 3.74Å; Y147-L204 HydrophobicContact CE2-CD2 3.26Å
148Q86.5Confident69.7Low109 Ų10995.8 Ų95.851%0.50953%0.525SS..  trans-100.6-7.7-176.8-59.2-174.2400113.1L20 H21 H146L20-Q148 PolarHBondContact O-N 3.48Å; H21-Q148 PolarHBondContact O-NE2 3.29Å; H146-Q148 WeakPolarHBondContact O-CG 3.17Å; H146-Q148 PolarHBondContact O-N 3.49Å
149G71.8Confident67.3Low16 Ų16104 Ų10417%0.16554%0.542CS..  trans84.1170.9-172.700000113.7K151G149-K151 PolarHBondContact O-N 2.96Å
150I65Low64.8Low117 Ų117103.8 Ų103.860%0.655%0.549SS*.  trans-73.6112.9168.9-57.9172.6000107.4L20 R152L20-I150 HydrophobicContact CD2-CG1 3.7Å; I150-R152 PolarHBondContact O-N 3.39Å
151K54.7Low62.2Low160 Ų160109 Ų10970%0.69658%0.583SS**  trans-59.4112.4168.6-69.2-173.8178.9-1770108.6G149G149-K151 PolarHBondContact O-N 2.96Å
152R44.4Very low59.8Low202 Ų202108.8 Ų108.876%0.76258%0.581SS**  trans-73.7131.1175.5-69.1-176.8176.8-173.5-1.3108I150 G154 D155I150-R152 PolarHBondContact O-N 3.39Å; R152-G154 PolarHBondContact O-N 3.47Å; R152-D155 PolarHBondContact O-N 2.81Å
153S43.2Very low57.4Low138 Ų138109.1 Ų109.197%0.96560%0.595SS**THydrogen-bonded Turntrans-65.881.2170.731.10000109.5
154G43.9Very low54.7Low57 Ų57112 Ų11259%0.58863%0.627SS**THydrogen-bonded Turntrans175.4-24.1-169.300000113.1R152 N156R152-G154 PolarHBondContact O-N 3.47Å; G154-N156 PolarHBondContact O-N 3.35Å
155D41.6Very low51.9Low132 Ų132115.5 Ų115.571%0.70666%0.664SS**  trans-76.748.9175.6-56.7-29000112.2R152 E157R152-D155 PolarHBondContact O-N 2.81Å; D155-E157 PolarHBondContact O-N 2.88Å
156N37.8Very low49.2Very low152 Ų152120 Ų12081%0.81370%0.696SS**  trans-73112.3167.8-85.2-18000108.7G154 S158G154-N156 PolarHBondContact O-N 3.35Å; N156-S158 PolarHBondContact O-N 3.42Å
157E37.3Very low46.6Very low183 Ų183121.8 Ų121.886%0.85572%0.715SS**  trans-23.592.9168.4-166.8174.8-16400114.4D155 R159D155-E157 PolarHBondContact O-N 2.88Å; E157-R159 PolarHBondContact O-N 3.41Å
158S35.2Very low43.9Very low103 Ų103127.1 Ų127.172%0.7274%0.739SS**  trans-70.192.9173.91750000109.6N156 C160N156-S158 PolarHBondContact O-N 3.42Å; S158-C160 PolarHBondContact O-N 2.86Å
159R34.3Very low41.5Very low215 Ų215130.3 Ų130.381%0.81176%0.759SS**  trans-48.7102167.4-86.4178.2164.5160.9-5110.8E157 T161E157-R159 PolarHBondContact O-N 3.41Å; R159-T161 PolarHBondContact O-N 2.82Å
160C34.1Very low39.8Very low122 Ų122136.5 Ų136.582%0.82479%0.788SS**  trans-81.871.5164.4-66.50000109.6S158 G162S158-C160 PolarHBondContact O-N 2.86Å; C160-G162 PolarHBondContact O-N 2.84Å
161T36.4Very low38.5Very low129 Ų129138.5 Ų138.579%0.79180%0.8SS**  trans-85.386.3160.346.80000108.8R159R159-T161 PolarHBondContact O-N 2.82Å
162G36Very low37.7Very low78 Ų78137.5 Ų137.580%0.80481%0.808SS**  trans-118.794.7177.700000110.5C160C160-G162 PolarHBondContact O-N 2.84Å
163D40.7Very low37.2Very low168 Ų168131.6 Ų131.690%0.89881%0.809SS**  trans-88.2147171.8-179.327.4000110.6
164G37.3Very low36.6Very low68 Ų68131.4 Ų131.470%0.70181%0.808SS**  trans77.6137.3161.300000119
165G34.9Very low36.3Very low80 Ų80132.9 Ų132.983%0.82582%0.815SS**  trans112.175.7150.900000117.2
166S36Very low36.2Very low119 Ų119134.6 Ų134.683%0.83282%0.824SS**  trans-81.1126.4165.1-175.70000111
167T37.2Very low36.1Very low144 Ų144135.3 Ų135.388%0.88383%0.828SS**  trans-155.6140153.4-5.10000111.1
168K34.8Very low35.9Very low178 Ų178134.1 Ų134.177%0.77483%0.827SS**  trans-86.6139.8-168.1-61.1165.5175.6173.70112.1
169L35.9Very low35.8Very low175 Ų175135.6 Ų135.692%0.91683%0.832SS**  trans-135.7116.7141.7-76.9178.1000108.2
170N35Very low35.7Very low146 Ų146130.4 Ų130.478%0.78183%0.829SS**  trans-96.1130.6168.4-63.7-8.6000106.9
171D38.3Very low35.6Very low160 Ų160137.3 Ų137.386%0.85684%0.837SS**  trans-146.8155152.3-133.2-29.5000111.7
172T37.9Very low35.2Very low139 Ų139133.8 Ų133.885%0.85383%0.827SS**  trans-94.9138.4-155.9550000114.5
173G34.1Very low34.9Very low77 Ų77137.8 Ų137.879%0.79483%0.83SS**  trans-173.3120.9171.800000112.8
174S31.2Very low34.4Very low134 Ų134136.6 Ų136.694%0.93782%0.821SS**  trans-68.7127.1-171.7-57.20000114.8
175A37.2Very low34.1Very low89 Ų89142.2 Ų142.274%0.73682%0.822SS**  trans-154.9110.1153.200000112
176N37.9Very low33.8Very low168 Ų168143 Ų14390%0.89882%0.815SS**  trans36.5117.6150.1-55.9-21.8000120.4
177N37.2Very low33.8Very low166 Ų166142.9 Ų142.989%0.88881%0.805SS**  trans-54.7146176.6-70.1-28.6000115.2
178D31.6Very low33.5Very low158 Ų158141.1 Ų141.185%0.84579%0.79SS**  trans-54.9145.5168-72.5-72.1000114.3
179T33.5Very low33.8Very low135 Ų135138 Ų13883%0.82877%0.773SS**  trans-156.9122.8137.4-4.70000111.9
180S32.9Very low33.9Very low106 Ų106137.3 Ų137.374%0.74177%0.77SS**  trans57.284.7159.4-59.40000119.5G182S180-G182 VanDerWaalsContact C-N 3.27Å; S180-G182 PolarHBondContact O-N 2.84Å
181R31.6Very low33.8Very low266 Ų266134.7 Ų134.7100%1.00476%0.763SS**SBendtrans-61.491.4140.8-89.4-177.6161.3114.4-7.6108.9
182G28.5Very low33.6Very low56 Ų56129.6 Ų129.658%0.57774%0.735SS**  trans168.752.9-177.700000115S180S180-G182 VanDerWaalsContact C-N 3.27Å; S180-G182 PolarHBondContact O-N 2.84Å
183N29.6Very low33.5Very low162 Ų162132.6 Ų132.687%0.86673%0.731SS**  trans178.3100.3154.3-96.5-16.4000109.5
184M29.2Very low34.1Very low143 Ų143133 Ų13370%0.70472%0.722SS**  trans-134.6146.2158.9-144.3160.975.200106.6
185Y30.9Very low34.5Very low186 Ų186129.8 Ų129.873%0.72970%0.7SS**  trans7530.5-174.1-29.5-59.9000117.1
186S29.9Very low35.1Very low97 Ų97131.1 Ų131.168%0.67869%0.69SS**  trans-84104.1142.8-174.80000107.5D188S186-D188 VanDerWaalsContact C-N 3.33Å; S186-D188 PolarHBondContact O-N 3.47Å; S186-D188 VanDerWaalsContact O-N 3.11Å
187L35.1Very low35.8Very low116 Ų116127.9 Ų127.961%0.60767%0.666SS**  trans-8184.6174-75.5-178.2000109R189 I192L187-R189 PolarHBondContact O-N 2.82Å; L187-I192 HydrophobicContact CB-CD1 4.08Å; L187-I192 HydrophobicContact CD2-CD1 4.2Å
188D31.9Very low36.6Very low106 Ų106126.6 Ų126.657%0.56765%0.648SS**  trans-57.8112.2175.9-168.3-13.2000110S186 N190 S191S186-D188 VanDerWaalsContact C-N 3.33Å; S186-D188 PolarHBondContact O-N 3.47Å; S186-D188 VanDerWaalsContact O-N 3.11Å; D188-N190 PolarHBondContact O-N 3.07Å; D188-S191 PolarHBondContact O-N 3Å; D188-S191 VanDerWaalsContact O-N 3.15Å
189R40.5Very low37.8Very low113 Ų113121.9 Ų121.943%0.42663%0.627SS.*THydrogen-bonded Turntrans-59.1-19.8-165.2-83.3176.3148.1-156.7-19.1113.7Y87 H88 D89 L187Y87-R189 PolarHBondContact O-NH2 2.79Å; H88-R189 VanDerWaalsContact C-NH2 3.29Å; H88-R189 PolarHBondContact O-NH2 2.91Å; D89-R189 IonicContact OD2-CZ 2.91Å; D89-R189 IonicContact OD2-NE 3.14Å; D89-R189 PolarHBondContact OD2-NE 2.83Å; D89-R189 IonicContact OD2-NH1 2.69Å; D89-R189 PolarHBondContact OD2-NH1 2.84Å; L187-R189 PolarHBondContact O-N 2.82Å
190N37.9Very low39.3Very low160 Ų160117.7 Ų117.786%0.85660%0.598SS**THydrogen-bonded Turntrans-94.5-5.7-175.5-66.3-36.2000115D188D188-N190 PolarHBondContact O-N 3.07Å
191S32.5Very low41Very low91 Ų91114.5 Ų114.564%0.63657%0.569SS**  trans-108.8-2.7-173-170.20000115.7D188 R193D188-S191 PolarHBondContact O-N 3Å; D188-S191 VanDerWaalsContact O-N 3.15Å; S191-R193 PolarHBondContact O-N 3.39Å
192I35.4Very low42.7Very low53 Ų53107.8 Ų107.827%0.27255%0.549SS..  trans-85.787.7-165.3-49.1-178.3000111.8L187 H196 R197L187-I192 HydrophobicContact CB-CD1 4.08Å; L187-I192 HydrophobicContact CD2-CD1 4.2Å; I192-H196 HydrophobicContact CG2-CB 3.72Å; I192-R197 HydrophobicContact CG2-CG 3.86Å
193R34.6Very low44.4Very low202 Ų202107.7 Ų107.776%0.76254%0.54SS*.  trans-49.6144.1165-77.1-178.8171.8178.1-2.3111S191 S195 H196S191-R193 PolarHBondContact O-N 3.39Å; R193-S195 PolarHBondContact O-N 3.33Å; R193-H196 PolarHBondContact O-N 3.47Å
194S47.6Very low46.4Very low87 Ų87100 Ų10061%0.60850%0.499SS*.Hα-helixtrans-55-20.7-175.357.50000115.9R198S194-R198 PolarHBondContact O-N 3.04Å
195S38.1Very low48.1Very low66 Ų6695.3 Ų95.346%0.46249%0.487SS..Hα-helixtrans-64.3-44.2171.654.80000112.8R193 R197 R198 S199R193-S195 PolarHBondContact O-N 3.33Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 2.97Å; S195-R198 PolarHBondContact O-N 2.98Å; S195-S199 PolarHBondContact O-N 2.83Å; S195-S199 PolarHBondContact O-OG 2.88Å
196H50.1Low49.6Very low116 Ų11687 Ų8754%0.53746%0.456SS..Hα-helixtrans-67.8-34-178.6-72.7106.1000112.3I192 R193 S199 F200I192-H196 HydrophobicContact CG2-CB 3.72Å; R193-H196 PolarHBondContact O-N 3.47Å; H196-S199 WeakPolarHBondContact CA-OG 3.04Å; H196-S199 PolarHBondContact O-OG 3.34Å; H196-S199 VanDerWaalsContact O-OG 3.07Å; H196-F200 VanDerWaalsContact O-CB 3.26Å; H196-F200 WeakPolarHBondContact O-CB 3.29Å; H196-F200 PolarHBondContact O-N 2.91Å
197R53.6Low50.9Low101 Ų10184.6 Ų84.638%0.38144%0.439SS..Hα-helixtrans-65-40172-74-167.8173.8-148.1-10.2111.8D86 I192 S195 F200 R201D86-R197 PolarHBondContact O-NH2 3.2Å; D86-R197 VanDerWaalsContact O-NH2 3.14Å; I192-R197 HydrophobicContact CG2-CG 3.86Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 2.97Å; R197-F200 PolarHBondContact O-N 3.12Å; R197-R201 VanDerWaalsContact O-CG 3.32Å; R197-R201 WeakPolarHBondContact O-CG 3.1Å; R197-R201 PolarHBondContact O-N 3.02Å
198R53.1Low51.6Low139 Ų13986 Ų8653%0.52544%0.442SS..Hα-helixtrans-64.3-52.5175-94.9-172.7-81.8-175.3-4.1112.1S194 S195 F200 R201 E202 E208S194-R198 PolarHBondContact O-N 3.04Å; S195-R198 PolarHBondContact O-N 2.98Å; R198-F200 PolarHBondContact O-N 3.45Å; R198-R201 PolarHBondContact O-N 3.48Å; R198-R201 VanDerWaalsContact O-N 3.1Å; R198-E202 WeakPolarHBondContact O-CB 3.19Å; R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 2.97Å; R198-E208 WeakPolarHBondContact CD-OE1 3.21Å
199S58.2Low52.4Low58 Ų5890 Ų9041%0.40645%0.449SS..Hα-helixtrans-60-33.3177.9610000113S195 H196 S203S195-S199 PolarHBondContact O-N 2.83Å; S195-S199 PolarHBondContact O-OG 2.88Å; H196-S199 WeakPolarHBondContact CA-OG 3.04Å; H196-S199 PolarHBondContact O-OG 3.34Å; H196-S199 VanDerWaalsContact O-OG 3.07Å; S199-S203 WeakPolarHBondContact O-CB 3.47Å; S199-S203 PolarHBondContact O-N 3.37Å; S199-S203 PolarHBondContact O-OG 3.07Å
200F64.2Low52.1Low48 Ų4884.8 Ų84.821%0.21143%0.43CS..Hα-helixtrans-66.9-50.2173.7-175.5-120.5000111.5I85 Y147 H196 R197 R198 E202 S203 L204I85-F200 HydrophobicContact CD1-CE1 4.24Å; I85-F200 HydrophobicContact CD1-CZ 4.05Å; I85-F200 HydrophobicContact CG2-CE1 4.32Å; Y147-F200 HydrophobicContact CD1-CE2 4.18Å; Y147-F200 HydrophobicContact CE1-CE2 4.3Å; Y147-F200 HydrophobicContact CG-CE2 4.37Å; H196-F200 VanDerWaalsContact O-CB 3.26Å; H196-F200 WeakPolarHBondContact O-CB 3.29Å; H196-F200 PolarHBondContact O-N 2.91Å; R197-F200 PolarHBondContact O-N 3.12Å; R198-F200 PolarHBondContact O-N 3.45Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.16Å; F200-S203 PolarHBondContact O-N 3.27Å; F200-S203 PolarHBondContact O-OG 3.04Å; F200-L204 HydrophobicContact CD1-CD1 3.75Å; F200-L204 HydrophobicContact CD2-CD1 4.47Å; F200-L204 HydrophobicContact CE1-CD1 3.47Å; F200-L204 VanDerWaalsContact CE1-CD1 3.47Å; F200-L204 HydrophobicContact CE1-CG 4.41Å; F200-L204 HydrophobicContact CE2-CD1 4.22Å; F200-L204 HydrophobicContact CE2-CD2 4.37Å; F200-L204 HydrophobicContact CE2-CG 4.32Å; F200-L204 HydrophobicContact CG-CD1 4.26Å; F200-L204 HydrophobicContact CZ-CD1 3.72Å; F200-L204 HydrophobicContact CZ-CD2 4.26Å; F200-L204 HydrophobicContact CZ-CG 4.25Å; F200-L204 VanDerWaalsContact O-CG 3.31Å; F200-L204 WeakPolarHBondContact O-CG 3.48Å; F200-L204 PolarHBondContact O-N 2.89Å
201R67.8Low52Low38 Ų3884.7 Ų84.714%0.14342%0.422CS..Hα-helixtrans-60.4-39.5177.2-70.5179.369.2102.2-0.7113D86 R197 R198 L204 G205 L206 S207 C210D86-R201 IonicContact OD2-CZ 3.82Å; D86-R201 IonicContact OD2-NH1 2.78Å; D86-R201 PolarHBondContact OD2-NH1 2.98Å; R197-R201 VanDerWaalsContact O-CG 3.32Å; R197-R201 WeakPolarHBondContact O-CG 3.1Å; R197-R201 PolarHBondContact O-N 3.02Å; R198-R201 PolarHBondContact O-N 3.48Å; R198-R201 VanDerWaalsContact O-N 3.1Å; R201-L204 WeakPolarHBondContact O-CB 3.23Å; R201-L204 PolarHBondContact O-N 2.95Å; R201-G205 PolarHBondContact O-N 3.1Å; R201-L206 HydrophobicContact CB-CB 4.36Å; R201-L206 HydrophobicContact CG-CD1 4.33Å; R201-L206 PolarHBondContact O-N 2.85Å; R201-S207 PolarHBondContact NH2-O 3.41Å; R201-C210 PolarHBondContact NH2-O 2.78Å; R201-C210 VanDerWaalsContact NH2-O 3.07Å
202E67.6Low52.1Low125 Ų12581.1 Ų81.158%0.58440%0.397SS*.Hα-helixtrans-59.4-46.4171.3-71.3161.5-159.900111.3R198 F200 L204 G205R198-E202 WeakPolarHBondContact O-CB 3.19Å; R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 2.97Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.16Å; E202-L204 PolarHBondContact O-N 3.48Å; E202-G205 PolarHBondContact O-N 3.25Å
203S65.5Low51.7Low55 Ų5586.4 Ų86.439%0.38541%0.414SS..Hα-helixtrans-65.3-22.1177.477.40000114.4S199 F200S199-S203 WeakPolarHBondContact O-CB 3.47Å; S199-S203 PolarHBondContact O-N 3.37Å; S199-S203 PolarHBondContact O-OG 3.07Å; F200-S203 PolarHBondContact O-N 3.27Å; F200-S203 PolarHBondContact O-OG 3.04Å
204L70.3Confident51.5Low1 Ų179.5 Ų79.51%0.00539%0.388CS..Hα-helixtrans-85-13.3173.6-65.6169.1000112.9R16 L20 Y82 I85 Y147 F200 R201 E202 L206R16-L204 PolarHBondContact NH1-O 2.81Å; R16-L204 PolarHBondContact NH2-O 3.06Å; L20-L204 HydrophobicContact CD1-CD2 3.92Å; Y82-L204 HydrophobicContact CE1-CD1 3.96Å; Y82-L204 HydrophobicContact CE1-CD2 3.99Å; Y82-L204 HydrophobicContact CE1-CG 4.39Å; Y82-L204 WeakPolarHBondContact OH-CD2 3.44Å; I85-L204 HydrophobicContact CG2-CD1 4.27Å; Y147-L204 HydrophobicContact CD2-CD2 3.74Å; Y147-L204 HydrophobicContact CE2-CD2 3.26Å; F200-L204 HydrophobicContact CD1-CD1 3.75Å; F200-L204 HydrophobicContact CD2-CD1 4.47Å; F200-L204 HydrophobicContact CE1-CD1 3.47Å; F200-L204 VanDerWaalsContact CE1-CD1 3.47Å; F200-L204 HydrophobicContact CE1-CG 4.41Å; F200-L204 HydrophobicContact CE2-CD1 4.22Å; F200-L204 HydrophobicContact CE2-CD2 4.37Å; F200-L204 HydrophobicContact CE2-CG 4.32Å; F200-L204 HydrophobicContact CG-CD1 4.26Å; F200-L204 HydrophobicContact CZ-CD1 3.72Å; F200-L204 HydrophobicContact CZ-CD2 4.26Å; F200-L204 HydrophobicContact CZ-CG 4.25Å; F200-L204 VanDerWaalsContact O-CG 3.31Å; F200-L204 WeakPolarHBondContact O-CG 3.48Å; F200-L204 PolarHBondContact O-N 2.89Å; R201-L204 WeakPolarHBondContact O-CB 3.23Å; R201-L204 PolarHBondContact O-N 2.95Å; E202-L204 PolarHBondContact O-N 3.48Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 HydrophobicContact CB-CD1 4.15Å; L204-L206 HydrophobicContact CB-CG 3.82Å; L204-L206 HydrophobicContact CD1-CD1 3.84Å; L204-L206 HydrophobicContact CD1-CG 4.45Å
205G64.5Low50.5Low44 Ų4481.2 Ų81.245%0.45439%0.391SS..THydrogen-bonded Turntrans71.820.6-171.300000113.8R201 E202R201-G205 PolarHBondContact O-N 3.1Å; E202-G205 PolarHBondContact O-N 3.25Å
206L63.4Low50.2Low12 Ų1283.5 Ų83.56%0.06339%0.394CS..  trans-77.9128.5179.2-63.7177.7000110.4L17 Q79 Y82 R201 L204L17-L206 HydrophobicContact CD2-CD2 4.46Å; Q79-L206 HydrophobicContact CB-CD2 3.82Å; Q79-L206 HydrophobicContact CG-CD2 3.89Å; Y82-L206 HydrophobicContact CD1-CD1 4.08Å; Y82-L206 HydrophobicContact CD1-CD2 3.93Å; Y82-L206 HydrophobicContact CD1-CG 4.45Å; Y82-L206 HydrophobicContact CE1-CD1 4.4Å; R201-L206 HydrophobicContact CB-CB 4.36Å; R201-L206 HydrophobicContact CG-CD1 4.33Å; R201-L206 PolarHBondContact O-N 2.85Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 HydrophobicContact CB-CD1 4.15Å; L204-L206 HydrophobicContact CB-CG 3.82Å; L204-L206 HydrophobicContact CD1-CD1 3.84Å; L204-L206 HydrophobicContact CD1-CG 4.45Å
207S57.8Low49.2Very low46 Ų4681.8 Ų81.832%0.32239%0.392SS..  trans-63.2145.7175.579.50000112.2R201 R209R201-S207 PolarHBondContact NH2-O 3.41Å; S207-R209 PolarHBondContact O-N 2.79Å
208E49.3Very low48.2Very low144 Ų14482.5 Ų82.567%0.67341%0.409SS*.THydrogen-bonded Turntrans-66.8-11.7172.3-70.2-158.6128.100112.9R198R198-E208 WeakPolarHBondContact CD-OE1 3.21Å
209R47.5Very low47Very low190 Ų19085.3 Ų85.372%0.71742%0.422SS*.THydrogen-bonded Turntrans-76.6-21.3-177.5-73.7-173.6172.6173.7-1114.1S207 K211S207-R209 PolarHBondContact O-N 2.79Å; R209-K211 PolarHBondContact O-N 3.29Å
210C35.6Very low45.6Very low4 Ų486.4 Ų86.43%0.02743%0.434CS..  trans-88.386.1-179.1-66.50000111.7T80 R201T80-C210 PolarHBondContact OG1-SG 3Å; R201-C210 PolarHBondContact NH2-O 2.78Å; R201-C210 VanDerWaalsContact NH2-O 3.07Å
211K35.9Very low44.2Very low158 Ų15889 Ų8969%0.68746%0.456SS*.  trans-114.2106157.6-78.8-173.7179.2179.80109.6R209R209-K211 PolarHBondContact O-N 3.29Å
212C33.7Very low42.3Very low16 Ų1696.9 Ų96.911%0.10849%0.494CS..  trans-109.2120.8154.748.40000107.6T80 V297T80-C212 WeakPolarHBondContact CG2-SG 3.2Å; C212-V297 HydrophobicContact CB-CB 4.14Å; C212-V297 HydrophobicContact CB-CG1 3.83Å
213Y27.9Very low40.6Very low164 Ų16494.1 Ų94.164%0.64350%0.499SS*.PPolyproline II helixtrans-91.2135.2168.1-100.3-105.3000108N299Y213-N299 VanDerWaalsContact O-CB 3.31Å; Y213-N299 WeakPolarHBondContact O-CB 3.34Å
214W30.2Very low39Very low57 Ų57100.6 Ų100.622%0.21652%0.523CS..PPolyproline II helixtrans-86.1131.1165.8-7098.9000108.5E84 H100 N299 N301E84-W214 PolarHBondContact OE1-NE1 2.85Å; H100-W214 AromaticContact CE1-CH2 3.87Å; H100-W214 AromaticContact CE1-CZ2 3.37Å; H100-W214 WeakPolarHBondContact CE1-CZ2 3.32Å; H100-W214 AromaticContact ND1-CZ2 3.85Å; W214-N299 VanDerWaalsContact CE3-CG 3.48Å; W214-N299 WeakPolarHBondContact CH2-ND2 3.47Å; W214-N299 WeakPolarHBondContact CZ2-ND2 3.48Å; W214-N299 VanDerWaalsContact CZ3-CG 3.46Å; W214-N299 WeakPolarHBondContact CZ3-ND2 3.22Å; W214-N299 WeakPolarHBondContact CZ3-OD1 3.43Å; W214-N301 HydrophobicContact CE3-CB 4.33Å; W214-N301 HydrophobicContact CZ3-CB 4.25Å; W214-N301 WeakPolarHBondContact CZ3-ND2 3.44Å
215D25.9Very low37Very low123 Ų123105.9 Ų105.966%0.65856%0.56SS**PPolyproline II helixtrans-85.9145.5154.5-116.5-35.8000109
216H33.2Very low35.2Very low114 Ų114111.9 Ų111.953%0.52858%0.581SS.*PPolyproline II helixtrans-90.3123.6-172.7-58.1-48.2000111.6N97 P218N97-H216 PolarHBondContact ND2-CE1 2.95Å; N97-H216 VanDerWaalsContact ND2-CE1 3.26Å; H216-P218 WeakPolarHBondContact O-CD 3.37Å
217T28.4Very low33.7Very low80 Ų80119 Ų11949%0.49162%0.617SS.*  trans-87.8111.3154.129.60000109.1Y219 F302T217-Y219 PolarHBondContact O-N 2.95Å; T217-F302 HydrophobicContact CG2-CD1 3.89Å; T217-F302 HydrophobicContact CG2-CD2 4.41Å; T217-F302 HydrophobicContact CG2-CE1 3.33Å; T217-F302 HydrophobicContact CG2-CE2 3.91Å; T217-F302 HydrophobicContact CG2-CG 4.4Å; T217-F302 HydrophobicContact CG2-CZ 3.34Å
218P32.7Very low32.2Very low116 Ų116123.5 Ų123.575%0.75364%0.638SS**  trans-66.4125.5165.9-1530.4000108.9H216 A220H216-P218 WeakPolarHBondContact O-CD 3.37Å; P218-A220 PolarHBondContact O-N 2.91Å; P218-A220 VanDerWaalsContact O-N 3.07Å
219Y28Very low31.5Very low199 Ų199126.3 Ų126.378%0.7865%0.651SS**  trans-70.2101.9165.3-176.4-92.7000108T217 P221T217-Y219 PolarHBondContact O-N 2.95Å; Y219-P221 HydrophobicContact CE1-CB 4.29Å; Y219-P221 WeakPolarHBondContact O-CD 3.38Å
220A28.1Very low30.8Very low81 Ų81124.4 Ų124.467%0.66966%0.655SS**  trans-78115.9168.100000108.3P218 E222P218-A220 PolarHBondContact O-N 2.91Å; P218-A220 VanDerWaalsContact O-N 3.07Å; A220-E222 PolarHBondContact O-N 3.06Å
221P34.1Very low30.7Very low103 Ų103132.3 Ų132.367%0.66969%0.692SS**  trans-71.8120.817329.4-31.9000109Y219 G223Y219-P221 HydrophobicContact CE1-CB 4.29Å; Y219-P221 WeakPolarHBondContact O-CD 3.38Å; P221-G223 PolarHBondContact O-N 3.21Å
222E29.6Very low30.5Very low202 Ų202136.2 Ų136.294%0.94470%0.702SS**  trans-63.5123.4172.8-69.3-164.8174.100110.2A220A220-E222 PolarHBondContact O-N 3.06Å
223G32Very low30.3Very low67 Ų67140.7 Ų140.769%0.69173%0.733SS**  trans-159.671.7-169.200000112.7P221P221-G223 PolarHBondContact O-N 3.21Å
224H29.9Very low30.5Very low192 Ų192143.8 Ų143.889%0.88974%0.744SS**  trans10.2113.8161.3-67-90.1000119.3
225S28.8Very low30.7Very low112 Ų112147.8 Ų147.878%0.78378%0.775SS**  -159.187.7129.245.30000111.3I227S225-I227 PolarHBondContact O-N 3.06Å
226L26.9Very low30.9Very low170 Ų170145.9 Ų145.989%0.8978%0.784SS**  trans-78.6107.4159.2-76.1171.1000107.8
227I32.2Very low30.8Very low160 Ų160145.7 Ų145.782%0.82180%0.796SS**  trans-125.8113.1157.342.5170.1000107.7S225S225-I227 PolarHBondContact O-N 3.06Å
228N27Very low31Very low142 Ų142150 Ų15076%0.75981%0.814SS**  trans-70.8142.3170.6-51.3-33.8000108.2
229E33.5Very low31Very low202 Ų202155.5 Ų155.594%0.94482%0.82SS**  trans-138.9127.8131.7-75.7-152.5142.900109
230D32.2Very low31Very low150 Ų150152.1 Ų152.180%0.80283%0.825SS**  trans-72.8178.7170.3-83-65.2000111.1
231E33.4Very low31.2Very low171 Ų171151.5 Ų151.580%0.79983%0.827SS**  trans69.596.5167.8-51-156.5157.200118.2
232R32.6Very low31.1Very low239 Ų239154.5 Ų154.590%0.90284%0.837SS**  -165.8119.791.3-106.3171.5178.7174.50114.8
233S29.7Very low31Very low110 Ų110153.3 Ų153.377%0.76983%0.829SS**  trans-73.2155.8168.1-38.60000112.3
234R32.7Very low31Very low229 Ų229159.3 Ų159.386%0.86484%0.839SS**  trans119.6127.2143.7-72.3178173.1168.6-0.3118.6
235T33.8Very low30.9Very low142 Ų142160.6 Ų160.687%0.87184%0.836SS**  trans72.9123.4144.252.60000119.9
236G31Very low31Very low82 Ų82161.3 Ų161.385%0.84584%0.841SS**  trans164.857.6172.800000114.2
237S30.2Very low31.1Very low110 Ų110164.9 Ų164.977%0.76984%0.843SS**  trans-84.1136.1172.1176.10000110.7
238I33.4Very low31Very low171 Ų171163 Ų16388%0.87784%0.841SS**  trans-154.3150.6151.7-99.6145.1000109.2
239R32.3Very low31Very low232 Ų232162.5 Ų162.588%0.87584%0.843SS**  trans-95.1168.1-165.1-72.4175.2165.7-176.8-5.2114.4
240S27.2Very low30.9Very low128 Ų128157.8 Ų157.890%0.89583%0.833SS**  trans-50.5151.4175-39.80000116.1
241G31.7Very low30.6Very low68 Ų68160.5 Ų160.570%0.70184%0.838SS**  trans-166.5104.7167.400000113.3
242D32.2Very low30.3Very low165 Ų165156.9 Ų156.988%0.88283%0.831SS**  trans49.9110.2148.4-54.7-34000124
243F28.9Very low30Very low177 Ų177152.7 Ų152.778%0.77683%0.827SS**  trans-7133.3134.6-109.8-113.9000118.3
244Q31.7Very low29.8Very low193 Ų193154.3 Ų154.390%0.90283%0.827SS**  -166.2153.4105.5-103.3-177.129.500113.1
245R27.5Very low29.6Very low219 Ų219149.9 Ų149.983%0.82682%0.82SS**  trans-97.2152.1-174.6-63.8179.7176.6-157.4-1.3112.5
246S30.2Very low29.2Very low128 Ų128151 Ų15190%0.89582%0.821SS**  trans-133.6153.4149.443.90000110.9
247R29.1Very low28.9Very low244 Ų244153.7 Ų153.792%0.92181%0.814SS**  trans-98.7163.9-155-102.7-177169.8177.7-2.8114.8
248P31.2Very low28.7Very low122 Ų122157.3 Ų157.379%0.79282%0.819SS**  trans-97.1175.7-16339.8-38.7000115.3
249T27.1Very low28.3Very low130 Ų130159.4 Ų159.480%0.79882%0.817SS**  trans-125.9147.8168.2500000112.3
250S30.2Very low28Very low103 Ų103157.8 Ų157.872%0.7282%0.816SS**  trans61.8107.3165.653.40000120.2
251F26.2Very low28Very low208 Ų208156.4 Ų156.491%0.91281%0.807SS**  trans11.8135.2131.8-57.3-89.5000117.6
252S27.6Very low27.7Very low95 Ų95159.4 Ų159.466%0.66481%0.811SS**  cis-159.1146.727.1-1690000112.1
253N26.7Very low27.4Very low150 Ų150161.8 Ų161.880%0.80281%0.809SS**  trans6782.7165.1-56.43.9000117.5
254N24.4Very low27.4Very low144 Ų144159.6 Ų159.677%0.7781%0.811SS**  trans-70.1-179150.7-53.6-19.2000109.5
255D28.2Very low27.2Very low136 Ų136160.7 Ų160.773%0.72781%0.812SS**  cis-143.8135.723-66-77.9000113.5
256D25.3Very low27.4Very low165 Ų165155.2 Ų155.288%0.88281%0.808SS**  trans-73.6136.4159.1-71.5-57000110.3
257I26.8Very low27.4Very low139 Ų139153.7 Ų153.771%0.71380%0.797SS**  trans-125.7104169.7-60.2178.7000109.7Y259I257-Y259 HydrophobicContact CG2-CD2 3.81Å; I257-Y259 HydrophobicContact CG2-CE2 3.92Å
258H24.8Very low27.4Very low186 Ų186150.9 Ų150.986%0.86180%0.795SS**  trans-72.5137163.9-82.8-64000111
259Y26Very low27.3Very low216 Ų216152.3 Ų152.385%0.84780%0.796SS**  trans-126.5126155.4-99.2-87.8000110.9I257I257-Y259 HydrophobicContact CG2-CD2 3.81Å; I257-Y259 HydrophobicContact CG2-CE2 3.92Å
260K25.4Very low27.4Very low197 Ų197154.1 Ų154.186%0.85780%0.8SS**  trans-81.7137.9169.5-76.2-179.4172.3-179.30109.4
261S26.4Very low27.3Very low99 Ų99160.4 Ų160.469%0.69281%0.807SS**  trans-76.2138.3164.751.10000110.7
262V25.5Very low27.5Very low131 Ų131156.7 Ų156.779%0.79480%0.804SS**  trans-123.9108.2167.6177.70000106.7
263Y26.9Very low27.6Very low215 Ų215161.4 Ų161.484%0.84381%0.813SS**  trans-108.8125171.1-75.8-80.1000109.4
264T28.2Very low27.5Very low132 Ų132160.2 Ų160.281%0.8181%0.811SS**  trans-111.3123166.548.30000109.1
265K28Very low27.5Very low215 Ų215160.4 Ų160.494%0.93581%0.811SS**  trans-74.6128.9178.7-81.2178.4168.8179.10111.8
266S31.2Very low27.4Very low105 Ų105160.7 Ų160.773%0.73481%0.812SS**  trans-162110.4136.958.90000111.3
267S29.8Very low27.4Very low96 Ų96158.5 Ų158.567%0.67180%0.804SS**  trans44.8128130.961.30000122
268E30.3Very low27.2Very low184 Ų184157.7 Ų157.786%0.8681%0.806SS**  trans76.6129.6143.9-66.2171.7-177.100118.7
269D27.6Very low27.3Very low153 Ų153154.7 Ų154.782%0.81880%0.801SS**  trans48.2125171-69.4-24.6000120.2
270L30.2Very low27.2Very low168 Ų168150.9 Ų150.988%0.8880%0.801SS**  178129.9110.2-91159.8000110.7
271R26.9Very low27.4Very low234 Ų234147.1 Ų147.188%0.88380%0.799SS**PPolyproline II helixtrans-69.2137.5167.6-61.6179-179-166.9-0.1109.1K273R271-K273 PolarHBondContact O-N 2.87Å; R271-K273 VanDerWaalsContact O-N 3.16Å
272P31.5Very low27.5Very low131 Ų131150 Ų15085%0.85181%0.806SS**PPolyproline II helixtrans-66.5117.6176.626.4-32.6000110.5
273K28.9Very low27.7Very low194 Ų194149.5 Ų149.584%0.84381%0.805SS**PPolyproline II helixtrans-80.9133.4163.2-75.9178.5175.5175.20108.7R271R271-K273 PolarHBondContact O-N 2.87Å; R271-K273 VanDerWaalsContact O-N 3.16Å
274T25Very low27.8Very low125 Ų125146.8 Ų146.877%0.76781%0.805SS**PPolyproline II helixtrans-62.7133.4172.7-42.30000110.7
275I25.5Very low27.8Very low147 Ų147146.2 Ų146.275%0.75480%0.802SS**  trans-116.4109.2166.8-59178.4000107.4V277I275-V277 HydrophobicContact CG2-CG2 4.02Å
276N25.5Very low27.8Very low142 Ų142143.1 Ų143.176%0.75980%0.795SS**  trans-87.7123.8168.9-69-17.3000108.3
277V24.4Very low27.8Very low119 Ų119144.5 Ų144.572%0.72179%0.794SS**  trans-109.6111.8170.8-176.20000108.5I275 T279I275-V277 HydrophobicContact CG2-CG2 4.02Å; V277-T279 HydrophobicContact CG1-CG2 4.34Å
278T23Very low27.6Very low122 Ų122144.8 Ų144.875%0.74880%0.803SS**  trans-98112.9174.9-52.40000109.1
279T27.2Very low27.6Very low124 Ų124145 Ų14576%0.76180%0.803SS**  trans-105.6104.5170.847.60000110.6V277V277-T279 HydrophobicContact CG1-CG2 4.34Å
280T24Very low27.5Very low136 Ų136143.8 Ų143.883%0.83480%0.797SS**  trans-78.8122.2168.8360000110.6
281S29.8Very low27.3Very low117 Ų117141 Ų14182%0.81879%0.792SS**  trans-146.8145.2157.554.90000109.7
282L27.6Very low27.2Very low161 Ų161138 Ų13884%0.84379%0.792SS**  trans-78.3152.6-170.5-73.7145.5000111.4N284L282-N284 PolarHBondContact O-N 3.05Å
283P29.8Very low26.9Very low119 Ų119137.7 Ų137.777%0.77379%0.791SS**  trans-76.8113.8179.930.7-32.4000110.6
284N28.4Very low26.6Very low159 Ų159131 Ų13185%0.8577%0.769SS**  trans-77.2129.6157-78.1-17.3000108.7L282L282-N284 PolarHBondContact O-N 3.05Å
285T28.7Very low26.8Very low119 Ų119128 Ų12873%0.7375%0.752SS**SBendtrans-67.6165.6164.348.60000110.1
286D29.1Very low27.1Very low150 Ų150125.2 Ų125.280%0.80274%0.742SS**  trans77.150.3170.8-44.8-34000117
287D29.6Very low27.5Very low134 Ų134119.4 Ų119.472%0.71771%0.711SS**  trans-151.673.3157.2-109.3-29.7000112.6H289D287-H289 PolarHBondContact O-N 3.48Å
288A26.8Very low27.9Very low102 Ų102116.8 Ų116.884%0.84369%0.693SS**THydrogen-bonded Turntrans-77.435.2-173.600000115.1
289H29.8Very low28.3Very low188 Ų188112.6 Ų112.687%0.8767%0.666SS**THydrogen-bonded Turntrans-142.924.3176.5-90-62.9000115.3D287 S291D287-H289 PolarHBondContact O-N 3.48Å; H289-S291 PolarHBondContact O-N 2.68Å; H289-S291 VanDerWaalsContact O-N 3.16Å
290N26.1Very low28.6Very low129 Ų129110 Ų11069%0.6965%0.647SS**  trans-83.793.1178.5-96.7-38.1000114.7L292N290-L292 PolarHBondContact O-N 2.91Å
291S25.6Very low28.7Very low110 Ų110106.4 Ų106.477%0.76962%0.623SS**  trans20.473.5137.8-174.30000118.5H289H289-S291 PolarHBondContact O-N 2.68Å; H289-S291 VanDerWaalsContact O-N 3.16Å
292L25.4Very low28.5Very low171 Ų171107 Ų10790%0.89561%0.61SS**  trans-85.9111.4157.8-79.3167.4000109.7N290 S294N290-L292 PolarHBondContact O-N 2.91Å; L292-S294 PolarHBondContact O-N 2.96Å
293C23.7Very low28.6Very low123 Ų123103.1 Ų103.183%0.83159%0.589SS**PPolyproline II helixtrans-60.9121.5176.6-164.20000109.9
294S23.1Very low28.4Very low54 Ų54104.1 Ų104.138%0.37859%0.588SS.*PPolyproline II helixtrans-63.8141.9-173.4-145.70000111.4L292 T296L292-S294 PolarHBondContact O-N 2.96Å; S294-T296 PolarHBondContact O-N 3.23Å
295P30.1Very low28.5Very low62 Ų62100.8 Ų100.840%0.40358%0.577SS.*PPolyproline II helixtrans-60.1126176.724.8-33.9000110.3
296T32.3Very low28.5Very low89 Ų89102 Ų10255%0.54658%0.579SS.*PPolyproline II helixtrans-85.7121.3179.9-58.30000109.7S294 I298S294-T296 PolarHBondContact O-N 3.23Å; T296-I298 VanDerWaalsContact C-N 3.32Å; T296-I298 HydrophobicContact CG2-CG1 3.71Å; T296-I298 PolarHBondContact O-N 3.49Å
297V32.8Very low28.5Very low19 Ų19102 Ų10212%0.11557%0.574CS.*  trans-7886.8169.6-175.30000107.7F63 C212F63-V297 WeakPolarHBondContact O-CG1 3.45Å; C212-V297 HydrophobicContact CB-CB 4.14Å; C212-V297 HydrophobicContact CB-CG1 3.83Å
298I33.2Very low28.6Very low65 Ų65106 Ų10633%0.33358%0.579SS.*  trans-76.7125.5-179.4-52.8-179.8000109.3F63 M65 T296 L300F63-I298 WeakPolarHBondContact CD1-O 3.46Å; M65-I298 HydrophobicContact CE-CD1 3.88Å; T296-I298 VanDerWaalsContact C-N 3.32Å; T296-I298 HydrophobicContact CG2-CG1 3.71Å; T296-I298 PolarHBondContact O-N 3.49Å; I298-L300 HydrophobicContact CG2-CD2 3.72Å; I298-L300 HydrophobicContact CG2-CG 3.93Å
299N30.3Very low28.7Very low34 Ų34104.6 Ų104.618%0.18256%0.561CS.*  trans-9699.7176.1-155.4-29.3000110.4Y213 W214 N301Y213-N299 VanDerWaalsContact O-CB 3.31Å; Y213-N299 WeakPolarHBondContact O-CB 3.34Å; W214-N299 VanDerWaalsContact CE3-CG 3.48Å; W214-N299 WeakPolarHBondContact CH2-ND2 3.47Å; W214-N299 WeakPolarHBondContact CZ2-ND2 3.48Å; W214-N299 VanDerWaalsContact CZ3-CG 3.46Å; W214-N299 WeakPolarHBondContact CZ3-ND2 3.22Å; W214-N299 WeakPolarHBondContact CZ3-OD1 3.43Å; N299-N301 VanDerWaalsContact C-N 3.32Å; N299-N301 PolarHBondContact O-N 3.15Å; N299-N301 VanDerWaalsContact O-N 3.11Å
300L33.8Very low28.5Very low68 Ų68101.8 Ų101.836%0.35656%0.558SS.*  trans-88.365.3-173.5-69.4175.3000112.3F63 I298 F302F63-L300 HydrophobicContact CE1-CD1 3.95Å; F63-L300 HydrophobicContact CZ-CD1 4.34Å; I298-L300 HydrophobicContact CG2-CD2 3.72Å; I298-L300 HydrophobicContact CG2-CG 3.93Å; L300-F302 PolarHBondContact O-N 3.45Å
301N26.9Very low28.7Very low62 Ų62100.9 Ų100.933%0.33255%0.552SS.*  trans-96.649.2176.3-115.131.9000113.1W214 N299W214-N301 HydrophobicContact CE3-CB 4.33Å; W214-N301 HydrophobicContact CZ3-CB 4.25Å; W214-N301 WeakPolarHBondContact CZ3-ND2 3.44Å; N299-N301 VanDerWaalsContact C-N 3.32Å; N299-N301 PolarHBondContact O-N 3.15Å; N299-N301 VanDerWaalsContact O-N 3.11Å
302F26.2Very low28.6Very low128 Ų128101.3 Ų101.356%0.56155%0.549SS*.  trans-161.776.4164.5-92.7-69.6000110.4T217 L300T217-F302 HydrophobicContact CG2-CD1 3.89Å; T217-F302 HydrophobicContact CG2-CD2 4.41Å; T217-F302 HydrophobicContact CG2-CE1 3.33Å; T217-F302 HydrophobicContact CG2-CE2 3.91Å; T217-F302 HydrophobicContact CG2-CG 4.4Å; T217-F302 HydrophobicContact CG2-CZ 3.34Å; L300-F302 PolarHBondContact O-N 3.45Å
303M28.3Very low28.8Very low81 Ų8198.4 Ų98.440%0.39954%0.539SS..  trans-128.3102.8162.6-60.1-118.773.400108.1E307 P309M303-E307 HydrophobicContact CE-CB 3.87Å; M303-E307 VanDerWaalsContact CE-O 3.23Å; M303-E307 WeakPolarHBondContact CE-O 3.31Å; M303-P309 HydrophobicContact SD-CB 4.03Å; M303-P309 VanDerWaalsContact SD-CD 3.54Å; M303-P309 HydrophobicContact SD-CG 4.02Å
304N26.8Very low28.9Very low140 Ų140100.2 Ų100.275%0.74954%0.54SS*.  trans-59.2163.2160.2-78.9-26.5000109.1D306N304-D306 PolarHBondContact O-N 3.08Å
305S29.1Very low29.1Very low88 Ų88103.4 Ų103.462%0.61556%0.558SS**THydrogen-bonded Turntrans-53.1-20.1-161.737.10000117.4K48K48-S305 PolarHBondContact NZ-O 3.5Å
306D29.6Very low29.1Very low144 Ų144110.1 Ų110.177%0.7758%0.581SS**THydrogen-bonded Turntrans-126.76.4-158.6-59.5-74.1000116.1N304N304-D306 PolarHBondContact O-N 3.08Å
307E29.8Very low29.1Very low151 Ų151111 Ų11171%0.70659%0.588SS**  trans-115.6150.1179.9-66-171.315400113.6M303M303-E307 HydrophobicContact CE-CB 3.87Å; M303-E307 VanDerWaalsContact CE-O 3.23Å; M303-E307 WeakPolarHBondContact CE-O 3.31Å
308R30.2Very low29.1Very low218 Ų218115.4 Ų115.482%0.82362%0.62SS**  trans-105.5141.8176.6-90.9-176.4165.9-163.6-5.8110.8
309P28.8Very low29.1Very low72 Ų72119.8 Ų119.847%0.46864%0.644SS.*PPolyproline II helixtrans-76.3130178.931-30.1000110.5M303M303-P309 HydrophobicContact SD-CB 4.03Å; M303-P309 VanDerWaalsContact SD-CD 3.54Å; M303-P309 HydrophobicContact SD-CG 4.02Å
310T26.5Very low29.1Very low129 Ų129125 Ų12579%0.79167%0.672SS**PPolyproline II helixtrans-100.4118.2173.8-53.40000108.9V312T310-V312 PolarHBondContact O-N 2.64Å
311I29.4Very low29.2Very low110 Ų110131.9 Ų131.956%0.56470%0.699SS**PPolyproline II helixtrans-82.2117.8179.7-60.6173.6000109.5M65 T313M65-I311 HydrophobicContact CE-CD1 3.77Å; M65-I311 HydrophobicContact CE-CG1 4.32Å; M65-I311 HydrophobicContact SD-CD1 3.84Å; I311-T313 HydrophobicContact CG2-CG2 4.21Å
312V24.9Very low29.6Very low119 Ų119134.3 Ų134.372%0.72172%0.721SS**  trans-95.4114.7168.1-179.20000108.5T310T310-V312 PolarHBondContact O-N 2.64Å
313T28.2Very low29.9Very low110 Ų110132 Ų13268%0.67573%0.733SS**  trans-90.1108172.745.50000110I311 T315I311-T313 HydrophobicContact CG2-CG2 4.21Å; T313-T315 VanDerWaalsContact C-N 3.35Å; T313-T315 PolarHBondContact O-N 3.4Å
314N25.7Very low30Very low161 Ų161133.6 Ų133.686%0.86175%0.752SS**  trans-71.790.2170.4-87.9-12.1000110.2
315T28.7Very low30.3Very low122 Ų122132.6 Ų132.675%0.74876%0.756SS**PPolyproline II helixtrans-82.5127158.541.60000108.5T313T313-T315 VanDerWaalsContact C-N 3.35Å; T313-T315 PolarHBondContact O-N 3.4Å
316K28.9Very low30.2Very low202 Ų202140.2 Ų140.288%0.87877%0.772SS**PPolyproline II helixtrans-66133.4166.4-85-177.4171.2-178.20108.2
317P32.2Very low30.1Very low107 Ų107142.7 Ų142.770%0.69578%0.781SS**PPolyproline II helixtrans-65.9135.8164.928.9-32.4000109.1
318S34Very low29.9Very low113 Ų113140.8 Ų140.879%0.7978%0.784SS**  trans-83.4111164.250.40000108.5D320S318-D320 PolarHBondContact O-N 2.99Å; S318-D320 VanDerWaalsContact O-N 3.1Å
319D31.9Very low29.8Very low156 Ų156138.1 Ų138.183%0.83479%0.785SS**  trans-74.495.6174.9-73.2-36.4000110.4
320D31.8Very low29.5Very low145 Ų145146.2 Ų146.278%0.77581%0.806SS**  trans-137.895163.1-98.1-39.8000108.6S318S318-D320 PolarHBondContact O-N 2.99Å; S318-D320 VanDerWaalsContact O-N 3.1Å
321F36.1Very low29.7Very low211 Ų211146.5 Ų146.593%0.92581%0.808SS**  trans-169.7138.1140.6-111.4-72.9000111.9
322S34.4Very low29.6Very low114 Ų114146.5 Ų146.580%0.79782%0.818SS**  trans-71.8139-176.355.40000114.5
323G32.5Very low29.8Very low78 Ų78146.7 Ų146.780%0.80482%0.819SS**  trans-171.996.2172.200000115.3
324S31.3Very low29.8Very low116 Ų116152.9 Ų152.981%0.81183%0.83SS**  trans-53.2130.9-179.6166.90000116.1
325S32.6Very low29.8Very low119 Ų119156.7 Ų156.783%0.83283%0.832SS**  -169.4145.7126.5-84.90000114.1
326R26.2Very low29.9Very low247 Ų247157.1 Ų157.193%0.93284%0.837SS**  trans-91.1145.4-175.9-68.7169.7165.3162.9-6.3112.7
327M28Very low30Very low196 Ų196153.9 Ų153.997%0.96683%0.834SS**  trans-158139.7132.2-117.9-175.7176.400112
328S24.8Very low29.9Very low111 Ų111160.5 Ų160.578%0.77685%0.845SS**  trans-128.5135.1-177.260.20000111
329I28.4Very low29.7Very low163 Ų163160.3 Ų160.384%0.83684%0.844SS**  trans-130.2132.1166.4-60.2-177.7000109.4
330R23.8Very low29.7Very low241 Ų241157.7 Ų157.791%0.90984%0.838SS**  trans-134.3119.4-175.4-173.4-169.3-161.8-167.87.7107.7
331T29.6Very low29.7Very low136 Ų136157.6 Ų157.683%0.83484%0.843SS**  trans-139.3131.4174.239.30000112
332S27Very low29.6Very low110 Ų110153.1 Ų153.177%0.76984%0.835SS**  trans-102.5163.5176.650.60000111.4
333V29.8Very low29.5Very low123 Ų123154.8 Ų154.875%0.74584%0.84SS**  163.1120.2129.1155.20000113.8
334R29.4Very low29.1Very low240 Ų240155.7 Ų155.791%0.90683%0.833SS**  trans53.8144.7144.2-60.7176.1-176-175.8-0.8124
335R25Very low29.2Very low241 Ų241158.2 Ų158.291%0.90984%0.837SS**  trans-102.1157.4163.4-77.6179.1168.1179.3-4.3111.1
336P31.4Very low29Very low130 Ų130155.3 Ų155.384%0.84483%0.826SS**  trans-100.6173.6157.67.513.9000113.6
337T31Very low29.4Very low135 Ų135152.5 Ų152.583%0.82882%0.823SS**  trans-126.7133.4-16746.20000115.6
338R28.5Very low29.5Very low245 Ų245146.2 Ų146.293%0.92580%0.799SS**  trans38118.3133.3-155.1-176-162.6-156.14.9121.9
339S31.3Very low29.6Very low109 Ų109151.4 Ų151.476%0.76280%0.803SS**  trans-161118.2141.156.30000107.4
340S30.2Very low29.7Very low101 Ų101152.3 Ų152.371%0.70680%0.803SS**  80.19759.371.80000115.6
341T31.9Very low29.9Very low143 Ų143151.9 Ų151.988%0.87780%0.802SS**  177.3140.6124.533.90000111.7
342P33.9Very low29.8Very low118 Ų118154 Ų15477%0.76680%0.802SS**  trans-109.5162.6174.439.9-31.9000113.9
343V32.8Very low30Very low149 Ų149153.2 Ų153.290%0.90380%0.797SS**  trans-140.2148.4164.5-179.10000109.6
344C25.6Very low29.8Very low97 Ų97152.5 Ų152.566%0.65580%0.797SS**  trans-116.1175.5-169.4-57.30000113.6
345N32.6Very low29.7Very low169 Ų169149.4 Ų149.490%0.90480%0.797SS**  trans74.2146.4165.1-50.2-19.4000115.6
346G28.7Very low29.8Very low58 Ų58142.1 Ų142.160%0.59878%0.783SS**  cis174.9-174.7-2.400000111
347H33.7Very low29.5Very low187 Ų187141 Ų14187%0.86678%0.778SS**  trans77.3151.7174.3-54.9-78.6000118.8
348S30.5Very low29.3Very low65 Ų65141.6 Ų141.646%0.45578%0.776SS.*  175.9138.9-60.450.50000112.5
349Y27.3Very low29.1Very low220 Ų220134 Ų13486%0.86378%0.775SS**  trans65.9154.8167.2-36.1-59.4000114.6
350E30.7Very low28.7Very low181 Ų181139.3 Ų139.385%0.84678%0.778SS**  cis-137.9138.39.9-70.9-177.5130.300109.1
351R26.8Very low28.5Very low233 Ų233138.1 Ų138.188%0.87977%0.774SS**  55.5107.689.9-172.1-168-79.4-149.7-0.6116.1
352E29.1Very low28.1Very low179 Ų179137.8 Ų137.884%0.83677%0.767SS**  trans177.9106.2135.3-100.3175.5-169.400108.7
353S30.1Very low27.7Very low94 Ų94141.9 Ų141.966%0.65777%0.768SS**  82.6100.28771.80000115.3
354S25.1Very low27.2Very low108 Ų108141.4 Ų141.476%0.75576%0.76SS**  trans34.8121141.358.10000120.6
355I27.8Very low27.1Very low175 Ų175145.3 Ų145.390%0.89777%0.766SS**  -154.8140129.1-98.4141.9000111.1
356S27.6Very low26.7Very low88 Ų88143.6 Ų143.662%0.61576%0.757SS**  trans-13.6132.3172.2-161.60000119.6N358S356-N358 PolarHBondContact O-N 2.96Å
357S24.4Very low26.6Very low107 Ų107147 Ų14775%0.74876%0.762SS**  trans-47.9128.314850.10000111.9
358N26.9Very low26.3Very low148 Ų148146 Ų14679%0.79176%0.757SS**  trans-166.963.6157.5-98.8-31.4000110.2S356 R360S356-N358 PolarHBondContact O-N 2.96Å; N358-R360 PolarHBondContact O-N 2.83Å
359G25Very low26.3Very low86 Ų86154.2 Ų154.289%0.88778%0.78SS**  trans-7274174.800000112.1A361G359-A361 PolarHBondContact O-N 3.3Å
360R23.2Very low26.3Very low219 Ų219146.7 Ų146.783%0.82677%0.769SS**  trans-76.784.9-177.1-163.4180-163.7164.53.7110.6N358 N362N358-R360 PolarHBondContact O-N 2.83Å; R360-N362 PolarHBondContact O-N 2.77Å; R360-N362 VanDerWaalsContact O-N 3.09Å
361A25.1Very low26.1Very low76 Ų76149.9 Ų149.963%0.62877%0.773SS**  trans-70.7100.2174.500000110.5G359 Y363G359-A361 PolarHBondContact O-N 3.3Å; A361-Y363 HydrophobicContact CB-CD2 4.37Å; A361-Y363 HydrophobicContact CB-CE2 3.93Å; A361-Y363 PolarHBondContact O-N 2.65Å
362N23.8Very low26Very low136 Ų136142.9 Ų142.973%0.72777%0.766SS**  trans-75115.8173.5-60.2-51.4000109.3R360R360-N362 PolarHBondContact O-N 2.77Å; R360-N362 VanDerWaalsContact O-N 3.09Å
363Y25.2Very low26Very low204 Ų204139.3 Ų139.380%0.876%0.76SS**  trans-103.7121.5167.3-77.5-81.9000110A361A361-Y363 HydrophobicContact CB-CD2 4.37Å; A361-Y363 HydrophobicContact CB-CE2 3.93Å; A361-Y363 PolarHBondContact O-N 2.65Å
364L22Very low25.7Very low140 Ų140145 Ų14573%0.73377%0.769SS**  trans-67.1145.9178.2-83.6135.8000111.2D366L364-D366 PolarHBondContact O-N 3.38Å
365K23.6Very low25.9Very low179 Ų179147 Ų14778%0.77877%0.769SS**  trans-75.3114.1159.1-74.1-177.4170-169.60108.2
366D23.9Very low25.9Very low132 Ų132149.5 Ų149.571%0.70677%0.767SS**  trans-92.889.5160-83.4-35.2000109.2L364 Q368L364-D366 PolarHBondContact O-N 3.38Å; D366-Q368 PolarHBondContact O-N 2.9Å; D366-Q368 VanDerWaalsContact O-N 3.14Å
367D26.3Very low25.9Very low131 Ų131153 Ų15370%0.70178%0.779SS**  trans-71.597.2162-70.7-39.3000107.9Y369D367-Y369 PolarHBondContact O-N 2.91Å
368Q29.1Very low26.3Very low165 Ų165154.9 Ų154.977%0.77178%0.781SS**SBendtrans-73.271173.5-77.3-158.7-12.700112.3D366D366-Q368 PolarHBondContact O-N 2.9Å; D366-Q368 VanDerWaalsContact O-N 3.14Å
369Y30.3Very low26.3Very low238 Ų238156.7 Ų156.793%0.93379%0.785SS**SBendtrans-134.739.6145.2-97.8-72.9000111.4D367D367-Y369 PolarHBondContact O-N 2.91Å
370G25.8Very low26.7Very low61 Ų61158.5 Ų158.563%0.62978%0.784SS**SBendtrans84.5152.5161.300000116.8
371R26.5Very low27Very low248 Ų248151.6 Ų151.694%0.93678%0.78SS**  trans6274.5174.5-91.6179.9176.9165.11.1116.2S373R371-S373 PolarHBondContact O-N 2.92Å
372A24.6Very low27.1Very low87 Ų87159.8 Ų159.872%0.71980%0.795SS**  trans-70.1108.1154.800000110.3
373S29Very low27.1Very low104 Ų104158.5 Ų158.573%0.72780%0.797SS**  trans-102.9122.1167.847.40000110.5R371 I375R371-S373 PolarHBondContact O-N 2.92Å; S373-I375 PolarHBondContact O-N 3.38Å
374Y24.7Very low27.2Very low213 Ų213154.4 Ų154.484%0.83580%0.798SS**  trans-68.5121.1179.3-74-99.2000111.6
375I29.8Very low27.2Very low149 Ų149158.4 Ų158.476%0.76481%0.805SS**  trans-130.5129.6159.8-59.1-176000108.5S373S373-I375 PolarHBondContact O-N 3.38Å
376R26.3Very low27.5Very low228 Ų228159.1 Ų159.186%0.8681%0.814SS**  trans-77.3132.6179.1-59.7174.7-172.21652.3109.3
377N29.1Very low27.6Very low161 Ų161161.2 Ų161.286%0.86182%0.816SS**  trans-9499.1167.1-85.2-11.2000109.9
378D31.3Very low27.7Very low147 Ų147161.4 Ų161.479%0.78682%0.818SS**  trans-77.4167.8158.1-78.8-44.5000110.9
379Q28.5Very low27.8Very low187 Ų187161.2 Ų161.287%0.87482%0.817SS**SBendtrans-79.2128.7-158.6-56.4164.66.100113.1
380S33Very low27.9Very low124 Ų124158.2 Ų158.287%0.86781%0.811SS**  trans154.8152.513257.40000114.3
381G28.8Very low28.1Very low73 Ų73166.2 Ų166.275%0.75382%0.824SS**  trans90.191140.100000121
382R26.6Very low28.3Very low248 Ų248159 Ų15994%0.93681%0.811SS**  trans45.6110.8135.6-73.8178.9168.5165.4-3.6121.5
383S24.7Very low28.7Very low110 Ų110159.9 Ų159.977%0.76981%0.812SS**  65.2133.6110.2-167.40000123
384S26.6Very low28.8Very low118 Ų118161 Ų16183%0.82582%0.815SS**  trans107.9138.2143.3750000120.1
385Y23.2Very low29.1Very low224 Ų224158.2 Ų158.288%0.87881%0.814SS**  trans-69.2150.8174.8-92.4-108.1000112.6
386M28.5Very low29.1Very low194 Ų194163.3 Ų163.396%0.95682%0.823SS**  trans-158.2168.9132.2-102.2-167.1-173.300111.2
387K26.8Very low29.3Very low175 Ų175155.7 Ų155.776%0.76182%0.816SS**  trans-111.1-175.1-171.3-67.4179167.2-178.40112.6
388D29Very low29.3Very low136 Ų136154 Ų15473%0.72782%0.816SS**  trans81.2146.6154.5-50.6-35000114.2
389E29.6Very low29.2Very low161 Ų161152.1 Ų152.175%0.75282%0.815SS**  cis-165.8-171.4-0.7-134.3-169.6-169.700111.3
390Q33.1Very low29.3Very low174 Ų174149.5 Ų149.581%0.81381%0.811SS**  trans95169.9155.6-46.9-145.1-19.100121.3
391Y29.9Very low29Very low230 Ų230149.1 Ų149.190%0.90281%0.809SS**  -153.6178.8-120.9-146.7-97.9000114.3
392S31.2Very low29Very low96 Ų96149.4 Ų149.467%0.67181%0.811SS**  trans84.2115.2164.5-133.60000117.4
393S32.1Very low29Very low105 Ų105148.2 Ų148.273%0.73481%0.813SS**  100.5156.668.880.70000112.1
394T31.9Very low29Very low128 Ų128146.1 Ų146.179%0.78581%0.809SS**  cis-148.1176.514.6-510000111.8
395L30.6Very low28.9Very low155 Ų155147.6 Ų147.681%0.81281%0.806SS**  trans-83.3163.1-175.4-59.1135.8000117.1
396R29.4Very low28.9Very low255 Ų255144 Ų14496%0.96280%0.797SS**  168.9147.7113.5-92.7174.1-171.2-117.11.4117.2
397G32.1Very low28.7Very low68 Ų68144.8 Ų144.870%0.70179%0.791SS**  trans97.1108.5159.100000115.8
398S28.8Very low28.5Very low125 Ų125141.9 Ų141.987%0.87479%0.791SS**  65130.167.8-57.60000113.7
399S27.9Very low28.4Very low108 Ų108140.5 Ų140.576%0.75579%0.792SS**  cis-172.5176.50.844.10000111.4
400V30.7Very low28.1Very low133 Ų133143.1 Ų143.181%0.80680%0.797SS**  trans100.1134.6160.3-170.60000119.2
401S27.5Very low27.8Very low116 Ų116139.6 Ų139.681%0.81179%0.79SS**  trans-44.5141.6-171.853.50000120.7
402G29.4Very low27.9Very low78 Ų78138 Ų13880%0.80479%0.788SS**  trans-167.9142.616000000111.2
403K26.7Very low27.7Very low223 Ų223141.3 Ų141.397%0.9779%0.793SS**  trans-74.6129.6179.8-60.9168.7180173.40110.1
404G24.8Very low27.4Very low67 Ų67147.8 Ų147.869%0.69180%0.801SS**  trans165.7118.1168.700000116.5
405I24.4Very low27.3Very low149 Ų149144.8 Ų144.876%0.76480%0.796SS**  trans39.2123.3131.3-59.7165.1000119.2
406Q22.9Very low27.3Very low148 Ų148146.2 Ų146.269%0.69280%0.798SS**  trans35.3136.4146.1-58171.2-51.200119.3
407Y24.4Very low27.3Very low211 Ų211141 Ų14183%0.82779%0.789SS**  -165.1177.669.1-96-80.9000113.8
408C22.6Very low27.2Very low113 Ų113148.3 Ų148.376%0.76480%0.796SS**  trans-90.3145.5-174.7-177.30000113.7
409S25.8Very low27.1Very low107 Ų107152.8 Ų152.875%0.74880%0.795SS**  157144.2115.257.90000116.2
410Y24.8Very low27.3Very low217 Ų217154.8 Ų154.885%0.85180%0.796SS**  trans77.8124.8154.2-126.4-107.3000122.2
411C26.7Very low27.2Very low99 Ų99153.8 Ų153.867%0.66980%0.795SS**  trans67.3151.6169-79.20000117.7
412K30.5Very low27.3Very low197 Ų197159.7 Ų159.786%0.85780%0.799SS**  cis-149.5164.313.4-137.8165.2-169.4175.50112.4
413Q27.3Very low27.3Very low166 Ų166168.5 Ų168.578%0.77682%0.822SS**  trans-72.5169.1-178-60.8160.6-15.700114
414R27.1Very low27.4Very low240 Ų240165.8 Ų165.891%0.90682%0.815SS**  trans85.594.5161.1-55.9-174.8178.1-174.6-2.1117.8
415G28.1Very low27.5Very low66 Ų66170.9 Ų170.968%0.6882%0.822SS**  121.6136.2119.400000117.6
416H30.9Very low27.7Very low184 Ų184172.2 Ų172.285%0.85283%0.825SS**  trans73.581157.2-65.1-92.3000119.5
417N29.8Very low27.9Very low146 Ų146173.6 Ų173.678%0.78183%0.833SS**  26.3106107.5-94.2-26.7000117.4
418R29.2Very low28.2Very low222 Ų222171.3 Ų171.384%0.83883%0.833SS**  165.4136.5106.1-91.7165.9-175.7-164.91.1112.6
419Y28.4Very low28.5Very low218 Ų218175.1 Ų175.186%0.85584%0.837SS**  27.8136.9127-79.7-90000118.3
420I30.8Very low28.7Very low151 Ų151180 Ų18077%0.77484%0.844SS**  cis-153.2145.438.3-64.2176000109.6
421S28.6Very low29Very low111 Ų111177.2 Ų177.278%0.77684%0.843SS**  trans-84.6128.4163.1-175.90000110.6M423S421-M423 PolarHBondContact O-N 3.07Å
422R29.1Very low29.2Very low241 Ų241183.7 Ų183.791%0.90986%0.858SS**  trans-77.3110.2169-86.7-177.1169.4-179.5-3.5110.6
423M31Very low29.1Very low262 Ų262182.5 Ų182.5100%1.29186%0.858SS**  -131.10116.3-87.9-170.9169.400107.5S421S421-M423 PolarHBondContact O-N 3.07Å

Retrieved 423 of 423 residues in 81.9 ms (Link to these results)

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