G4LY06_SCHMA Loading...

3'-5' exonuclease eri1-related

AlphaFold DB , UniProt , Accession G4LY06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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
1M51.4Low67.6Low70 Ų7055.6 Ų55.635%0.34525%0.251SS..  0-800-154.8173-74.900111.3K3 T4 L29 L227 N228M1-K3 PolarHBondContact O-N 3.32Å; M1-T4 WeakPolarHBondContact CA-OG1 3.34Å; M1-T4 PolarHBondContact N-OG1 2.92Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.2Å; M1-T4 VanDerWaalsContact O-N 3.1Å; M1-T4 PolarHBondContact O-OG1 3.17Å; M1-T4 VanDerWaalsContact O-OG1 3.06Å; M1-L29 WeakPolarHBondContact CE-O 3.48Å; M1-L29 HydrophobicContact CG-CB 3.73Å; M1-L29 WeakPolarHBondContact CG-O 3.27Å; M1-L29 HydrophobicContact SD-CB 4.34Å; M1-L29 PolarHBondContact SD-N 2.65Å; M1-L227 PolarHBondContact N-O 3.22Å; M1-N228 PolarHBondContact N-ND2 3.14Å; M1-N228 PolarHBondContact N-OD1 3.42Å
2Q56.7Low68.7Low55 Ų5554.7 Ų54.726%0.25727%0.268SS..Hα-helixtrans-56.4-48.3173.3176.669.154.400112.7T4 N6 T26 N27Q2-T4 VanDerWaalsContact C-N 3.25Å; Q2-T4 PolarHBondContact O-N 3.39Å; Q2-N6 PolarHBondContact NE2-ND2 3.21Å; Q2-N6 PolarHBondContact NE2-OD1 3.28Å; Q2-N6 PolarHBondContact O-N 3.44Å; Q2-N6 PolarHBondContact O-OD1 3.24Å; Q2-T26 VanDerWaalsContact CA-O 3.22Å; Q2-T26 WeakPolarHBondContact CA-O 3.31Å; Q2-T26 VanDerWaalsContact CD-OG1 3.28Å; Q2-T26 PolarHBondContact N-O 3.34Å; Q2-T26 PolarHBondContact NE2-OG1 3.5Å; Q2-T26 PolarHBondContact OE1-O 3Å; Q2-T26 PolarHBondContact OE1-OG1 3.42Å; Q2-N27 PolarHBondContact OE1-OD1 2.92Å
3K58.7Low69.8Low83 Ų8350.5 Ų50.536%0.36125%0.247SC..Hα-helixtrans-73-18.6179.7-49.2177.4176.5176.60111.7M1 E7 N228 A230M1-K3 PolarHBondContact O-N 3.32Å; K3-E7 WeakPolarHBondContact O-CB 3.42Å; K3-E7 PolarHBondContact O-N 2.95Å; K3-N228 WeakPolarHBondContact CA-OD1 3.34Å; K3-N228 HydrophobicContact CB-CB 4.38Å; K3-N228 WeakPolarHBondContact CB-OD1 3.45Å; K3-N228 WeakPolarHBondContact CG-OD1 3.35Å; K3-N228 PolarHBondContact N-OD1 3.37Å; K3-A230 PolarHBondContact NZ-O 2.89Å
4T57.2Low70.8Confident1 Ų148 Ų481%0.00624%0.235CC..Hα-helixtrans-54.9-59.4171.7-50.10000110.8M1 Q2 E7 A8 I166 L227M1-T4 WeakPolarHBondContact CA-OG1 3.34Å; M1-T4 PolarHBondContact N-OG1 2.92Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.2Å; M1-T4 VanDerWaalsContact O-N 3.1Å; M1-T4 PolarHBondContact O-OG1 3.17Å; M1-T4 VanDerWaalsContact O-OG1 3.06Å; Q2-T4 VanDerWaalsContact C-N 3.25Å; Q2-T4 PolarHBondContact O-N 3.39Å; T4-E7 PolarHBondContact O-N 3.26Å; T4-A8 VanDerWaalsContact O-CB 3.32Å; T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å; T4-I166 HydrophobicContact CG2-CD1 4.36Å; T4-L227 HydrophobicContact CG2-CB 3.91Å; T4-L227 HydrophobicContact CG2-CD1 3.97Å; T4-L227 HydrophobicContact CG2-CD2 3.91Å; T4-L227 HydrophobicContact CG2-CG 4.11Å; T4-L227 PolarHBondContact N-O 3.31Å; T4-L227 WeakPolarHBondContact OG1-CB 3.33Å; T4-L227 PolarHBondContact OG1-O 2.86Å
5I66.4Low71.4Confident0 Ų049.7 Ų49.70%024%0.238CC..Hα-helixtrans-68.8-41.9-176.6-74.3172.3000109.6E7 A8 K9 F14 L25 T26 L29 I134I5-E7 VanDerWaalsContact C-N 3.31Å; I5-E7 PolarHBondContact O-N 3.23Å; I5-A8 PolarHBondContact O-N 2.79Å; I5-K9 HydrophobicContact CG2-CD 3.9Å; I5-K9 VanDerWaalsContact CG2-CE 3.48Å; I5-K9 HydrophobicContact CG2-CG 4.33Å; I5-K9 WeakPolarHBondContact O-CB 2.92Å; I5-K9 VanDerWaalsContact O-CG 3.24Å; I5-K9 WeakPolarHBondContact O-CG 3.5Å; I5-K9 PolarHBondContact O-N 3.11Å; I5-F14 HydrophobicContact CB-CD2 4.42Å; I5-F14 HydrophobicContact CB-CE2 4.23Å; I5-F14 HydrophobicContact CD1-CE2 4.29Å; I5-F14 HydrophobicContact CG1-CD2 4.31Å; I5-F14 HydrophobicContact CG1-CE2 3.91Å; I5-F14 HydrophobicContact CG2-CD2 3.85Å; I5-F14 HydrophobicContact CG2-CE2 3.54Å; I5-F14 HydrophobicContact CG2-CZ 4.15Å; I5-L25 HydrophobicContact CD1-CB 3.93Å; I5-T26 HydrophobicContact CB-CG2 3.66Å; I5-T26 HydrophobicContact CD1-CG2 3.9Å; I5-T26 HydrophobicContact CG1-CG2 4.33Å; I5-T26 HydrophobicContact CG2-CG2 3.72Å; I5-L29 HydrophobicContact CD1-CD2 3.79Å; I5-L29 HydrophobicContact CG1-CD2 4.13Å; I5-I134 HydrophobicContact CD1-CD1 4.39Å; I5-I134 HydrophobicContact CG1-CD1 4.41Å
6N70.5Confident71.4Confident76 Ų7649.2 Ų49.241%0.40624%0.237SC..Hα-helixtrans-62.6-38.9179.4-684000111.7Q2 R10Q2-N6 PolarHBondContact NE2-ND2 3.21Å; Q2-N6 PolarHBondContact NE2-OD1 3.28Å; Q2-N6 PolarHBondContact O-N 3.44Å; Q2-N6 PolarHBondContact O-OD1 3.24Å; N6-R10 WeakPolarHBondContact O-CB 3.39Å; N6-R10 PolarHBondContact O-N 3.18Å
7E68.5Low70.7Confident48 Ų4852.5 Ų52.522%0.22425%0.25CS..Hα-helixtrans-73.6-43177.5-170.465.2-178.600111.9K3 T4 I5 K9 R10 I11 Q174K3-E7 WeakPolarHBondContact O-CB 3.42Å; K3-E7 PolarHBondContact O-N 2.95Å; T4-E7 PolarHBondContact O-N 3.26Å; I5-E7 VanDerWaalsContact C-N 3.31Å; I5-E7 PolarHBondContact O-N 3.23Å; E7-K9 VanDerWaalsContact C-N 3.27Å; E7-K9 PolarHBondContact O-N 3Å; E7-R10 VanDerWaalsContact CD-NE 3.31Å; E7-R10 WeakPolarHBondContact O-CA 3.36Å; E7-R10 WeakPolarHBondContact O-CB 3.29Å; E7-R10 PolarHBondContact O-N 3.48Å; E7-R10 IonicContact OE1-CZ 2.67Å; E7-R10 IonicContact OE1-NE 2.9Å; E7-R10 PolarHBondContact OE1-NE 3.04Å; E7-R10 IonicContact OE1-NH2 3.3Å; E7-R10 PolarHBondContact OE1-NH2 3.37Å; E7-R10 WeakPolarHBondContact OE2-CD 3.11Å; E7-R10 IonicContact OE2-CZ 2.96Å; E7-R10 IonicContact OE2-NE 3.81Å; E7-R10 PolarHBondContact OE2-NE 3.27Å; E7-R10 IonicContact OE2-NH2 3.14Å; E7-I11 WeakPolarHBondContact O-CG1 3.46Å; E7-I11 PolarHBondContact O-N 3.39Å; E7-Q174 PolarHBondContact OE1-NE2 3.28Å
8A73.4Confident70Confident1 Ų154.4 Ų54.41%0.00826%0.262CS..Hα-helixtrans-57-41.9172.500000111.4T4 I5 G12 A13 F14 I166 I171T4-A8 VanDerWaalsContact O-CB 3.32Å; T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å; I5-A8 PolarHBondContact O-N 2.79Å; A8-G12 PolarHBondContact O-N 3.07Å; A8-A13 HydrophobicContact CB-CB 4.37Å; A8-A13 CarbonylContact O-C 3.53Å; A8-A13 WeakPolarHBondContact O-CA 3.43Å; A8-A13 PolarHBondContact O-N 3.01Å; A8-F14 HydrophobicContact CB-CB 3.88Å; A8-F14 PolarHBondContact O-N 3.07Å; A8-I166 HydrophobicContact CB-CG1 4.5Å; A8-I171 HydrophobicContact CB-CD1 3.94Å; A8-I171 HydrophobicContact CB-CG1 4.48Å
9K79Confident69.1Low56 Ų5656.9 Ų56.924%0.24328%0.281CS..Hα-helixtrans-62.3-45.9170.8-73.8173178.1177.60112I5 E7 I11 G12 F14 Q22I5-K9 HydrophobicContact CG2-CD 3.9Å; I5-K9 VanDerWaalsContact CG2-CE 3.48Å; I5-K9 HydrophobicContact CG2-CG 4.33Å; I5-K9 WeakPolarHBondContact O-CB 2.92Å; I5-K9 VanDerWaalsContact O-CG 3.24Å; I5-K9 WeakPolarHBondContact O-CG 3.5Å; I5-K9 PolarHBondContact O-N 3.11Å; E7-K9 VanDerWaalsContact C-N 3.27Å; E7-K9 PolarHBondContact O-N 3Å; K9-I11 VanDerWaalsContact C-N 3.25Å; K9-I11 PolarHBondContact O-N 3.43Å; K9-G12 PolarHBondContact O-N 3.2Å; K9-G12 VanDerWaalsContact O-N 3.16Å; K9-F14 HydrophobicContact CB-CB 4.29Å; K9-F14 HydrophobicContact CD-CD1 4.38Å; K9-F14 HydrophobicContact CG-CB 3.59Å; K9-F14 HydrophobicContact CG-CD1 3.69Å; K9-F14 HydrophobicContact CG-CD2 4.25Å; K9-F14 HydrophobicContact CG-CE1 4.43Å; K9-F14 HydrophobicContact CG-CG 3.6Å; K9-Q22 PolarHBondContact NZ-O 3.38Å
10R80Confident68.2Low168 Ų16863.5 Ų63.563%0.63431%0.309SS*.Hα-helixtrans-59.2-34-178.9-165.3-174.472.776.8-0.9113N6 E7N6-R10 WeakPolarHBondContact O-CB 3.39Å; N6-R10 PolarHBondContact O-N 3.18Å; E7-R10 VanDerWaalsContact CD-NE 3.31Å; E7-R10 WeakPolarHBondContact O-CA 3.36Å; E7-R10 WeakPolarHBondContact O-CB 3.29Å; E7-R10 PolarHBondContact O-N 3.48Å; E7-R10 IonicContact OE1-CZ 2.67Å; E7-R10 IonicContact OE1-NE 2.9Å; E7-R10 PolarHBondContact OE1-NE 3.04Å; E7-R10 IonicContact OE1-NH2 3.3Å; E7-R10 PolarHBondContact OE1-NH2 3.37Å; E7-R10 WeakPolarHBondContact OE2-CD 3.11Å; E7-R10 IonicContact OE2-CZ 2.96Å; E7-R10 IonicContact OE2-NE 3.81Å; E7-R10 PolarHBondContact OE2-NE 3.27Å; E7-R10 IonicContact OE2-NH2 3.14Å
11I81.4Confident67.4Low54 Ų5461.1 Ų61.128%0.27730%0.299SS..THydrogen-bonded Turntrans-96.6-0.5179.873.1-176.3000114.3E7 K9 A13 I171 Q174E7-I11 WeakPolarHBondContact O-CG1 3.46Å; E7-I11 PolarHBondContact O-N 3.39Å; K9-I11 VanDerWaalsContact C-N 3.25Å; K9-I11 PolarHBondContact O-N 3.43Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 HydrophobicContact CD1-CB 3.75Å; I11-A13 HydrophobicContact CG1-CB 3.6Å; I11-I171 HydrophobicContact CD1-CG1 4.08Å; I11-Q174 HydrophobicContact CD1-CB 4.18Å; I11-Q174 VanDerWaalsContact CD1-OE1 3.27Å; I11-Q174 HydrophobicContact CG2-CG 4.39Å
12G81.6Confident67.3Low44 Ų4461.1 Ų61.145%0.45430%0.299SS..THydrogen-bonded Turntrans74.218.6-175.900000115A8 K9A8-G12 PolarHBondContact O-N 3.07Å; K9-G12 PolarHBondContact O-N 3.2Å; K9-G12 VanDerWaalsContact O-N 3.16Å
13A83.1Confident67Low0 Ų065.3 Ų65.30%032%0.323CS..  trans-89.9-3.9173.500000113.7A8 I11 I166 D167 A170 I171A8-A13 HydrophobicContact CB-CB 4.37Å; A8-A13 CarbonylContact O-C 3.53Å; A8-A13 WeakPolarHBondContact O-CA 3.43Å; A8-A13 PolarHBondContact O-N 3.01Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 HydrophobicContact CD1-CB 3.75Å; I11-A13 HydrophobicContact CG1-CB 3.6Å; A13-I166 WeakPolarHBondContact O-CA 3.49Å; A13-D167 PolarHBondContact O-N 3.28Å; A13-A170 HydrophobicContact CB-CB 3.57Å; A13-I171 HydrophobicContact CB-CG1 3.94Å
14F83.7Confident66.9Low16 Ų1663.6 Ų63.67%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-105.7115.6172.7-172.3-78.6000108.9I5 A8 K9 D16 L25 I134 R165 I166I5-F14 HydrophobicContact CB-CD2 4.42Å; I5-F14 HydrophobicContact CB-CE2 4.23Å; I5-F14 HydrophobicContact CD1-CE2 4.29Å; I5-F14 HydrophobicContact CG1-CD2 4.31Å; I5-F14 HydrophobicContact CG1-CE2 3.91Å; I5-F14 HydrophobicContact CG2-CD2 3.85Å; I5-F14 HydrophobicContact CG2-CE2 3.54Å; I5-F14 HydrophobicContact CG2-CZ 4.15Å; A8-F14 HydrophobicContact CB-CB 3.88Å; A8-F14 PolarHBondContact O-N 3.07Å; K9-F14 HydrophobicContact CB-CB 4.29Å; K9-F14 HydrophobicContact CD-CD1 4.38Å; K9-F14 HydrophobicContact CG-CB 3.59Å; K9-F14 HydrophobicContact CG-CD1 3.69Å; K9-F14 HydrophobicContact CG-CD2 4.25Å; K9-F14 HydrophobicContact CG-CE1 4.43Å; K9-F14 HydrophobicContact CG-CG 3.6Å; F14-D16 HydrophobicContact CD1-CB 4.13Å; F14-D16 HydrophobicContact CE1-CB 3.9Å; F14-L25 HydrophobicContact CZ-CD1 4.09Å; F14-I134 HydrophobicContact CD2-CD1 4Å; F14-I134 HydrophobicContact CE2-CD1 3.32Å; F14-I134 HydrophobicContact CZ-CD1 4.09Å; F14-R165 WeakPolarHBondContact CA-O 3.19Å; F14-I166 HydrophobicContact CD2-CG1 4.24Å
15Y78.7Confident67Low74 Ų7463.6 Ų63.629%0.2932%0.321SS..EExtended strand (participates in β ladder)trans-97.5131.4178.5-59.9-91.1000108.8D140 N164 R165 D167Y15-D140 WeakPolarHBondContact CD1-OD2 3.18Å; Y15-D140 HydrophobicContact CD2-CB 4.23Å; Y15-D140 VanDerWaalsContact CD2-OD1 3.32Å; Y15-D140 WeakPolarHBondContact CD2-OD1 3.42Å; Y15-D140 HydrophobicContact CE1-CB 4.22Å; Y15-D140 WeakPolarHBondContact CE1-OD2 3.47Å; Y15-D140 HydrophobicContact CE2-CB 3.65Å; Y15-N164 WeakPolarHBondContact O-CA 3.35Å; Y15-R165 HydrophobicContact CD2-CG 4.45Å; Y15-R165 PolarHBondContact N-O 3.12Å; Y15-R165 PolarHBondContact O-N 3.29Å; Y15-D167 HydrophobicContact CE2-CB 3.72Å
16D71.3Confident66.7Low41 Ų4163.8 Ų63.822%0.21932%0.322CS..  trans-137.9124.9-175.1-173.76.6000109.1F14 N18 Q22 N164F14-D16 HydrophobicContact CD1-CB 4.13Å; F14-D16 HydrophobicContact CE1-CB 3.9Å; D16-N18 WeakPolarHBondContact OD1-CA 3.48Å; D16-N18 PolarHBondContact OD1-N 3.16Å; D16-Q22 WeakPolarHBondContact OD2-CG 3.49Å; D16-Q22 PolarHBondContact OD2-NE2 2.91Å; D16-N164 PolarHBondContact OD1-ND2 3.5Å; D16-N164 PolarHBondContact OD1-OD1 3.02Å; D16-N164 VanDerWaalsContact OD1-OD1 3.06Å
17F61Low66.3Low105 Ų10565.4 Ų65.446%0.46133%0.331SS..SBendtrans-100.9-2.8172.5-74-105.1000112.4W148 L163 N164F17-W148 HydrophobicContact CD1-CZ3 4.49Å; F17-W148 HydrophobicContact CE1-CE3 4.36Å; F17-W148 HydrophobicContact CE1-CH2 4.22Å; F17-W148 AromaticContact CE1-CZ3 3.84Å; F17-W148 HydrophobicContact CE1-CZ3 3.84Å; F17-W148 HydrophobicContact CZ-CE3 4.35Å; F17-W148 HydrophobicContact CZ-CZ3 4.26Å; F17-L163 HydrophobicContact CB-CB 4.05Å; F17-L163 HydrophobicContact CB-CD1 4.04Å; F17-L163 HydrophobicContact CB-CD2 4.41Å; F17-L163 HydrophobicContact CB-CG 4.4Å; F17-L163 HydrophobicContact CD1-CD2 4.38Å; F17-L163 HydrophobicContact CD2-CB 3.9Å; F17-L163 HydrophobicContact CD2-CD2 3.7Å; F17-L163 HydrophobicContact CD2-CG 4.32Å; F17-L163 WeakPolarHBondContact CD2-O 3.23Å; F17-L163 HydrophobicContact CE2-CD2 3.94Å; F17-L163 HydrophobicContact CG-CB 4.24Å; F17-L163 HydrophobicContact CG-CD1 4.42Å; F17-L163 HydrophobicContact CG-CD2 3.93Å; F17-L163 HydrophobicContact CG-CG 4.42Å; F17-L163 HydrophobicContact CZ-CD2 4.38Å; F17-N164 PolarHBondContact N-OD1 2.94Å
18N57.7Low66.7Low87 Ų8767.6 Ų67.647%0.46534%0.344SS..  trans-141.395.8-179.8-174.1-7.4000112D16 F20 A21D16-N18 WeakPolarHBondContact OD1-CA 3.48Å; D16-N18 PolarHBondContact OD1-N 3.16Å; N18-F20 PolarHBondContact O-N 3.38Å; N18-F20 PolarHBondContact OD1-N 2.91Å; N18-A21 WeakPolarHBondContact O-CB 3.4Å; N18-A21 PolarHBondContact O-N 2.68Å
19T52.4Low67.4Low102 Ų10267.6 Ų67.663%0.62634%0.344SS*.G310 helixtrans-51.8-21.7-179.447.90000115.4A21 Q22T19-A21 VanDerWaalsContact C-N 3.33Å; T19-A21 PolarHBondContact O-N 3.19Å; T19-Q22 VanDerWaalsContact O-CG 3.27Å; T19-Q22 WeakPolarHBondContact O-CG 3.49Å
20F50.4Low68Low189 Ų18969.1 Ų69.183%0.82935%0.348SS*.G310 helixtrans-71.9-21.3175-76.3-87.1000114.2N18 Q22N18-F20 PolarHBondContact O-N 3.38Å; N18-F20 PolarHBondContact OD1-N 2.91Å; F20-Q22 PolarHBondContact O-N 3.39Å
21A52.1Low68.6Low13 Ų1361.8 Ų61.811%0.10732%0.32CS..G310 helixtrans-75.8-4.9-179.900000113.8N18 T19 N23 N164N18-A21 WeakPolarHBondContact O-CB 3.4Å; N18-A21 PolarHBondContact O-N 2.68Å; T19-A21 VanDerWaalsContact C-N 3.33Å; T19-A21 PolarHBondContact O-N 3.19Å; A21-N23 PolarHBondContact O-N 3Å; A21-N164 WeakPolarHBondContact CB-ND2 3.42Å
22Q49.5Very low69.3Low71 Ų7159.2 Ų59.233%0.33231%0.307SS..G310 helixtrans-69.6-27.5-160.3-72.8-175.62.600115.7K9 D16 T19 F20K9-Q22 PolarHBondContact NZ-O 3.38Å; D16-Q22 WeakPolarHBondContact OD2-CG 3.49Å; D16-Q22 PolarHBondContact OD2-NE2 2.91Å; T19-Q22 VanDerWaalsContact O-CG 3.27Å; T19-Q22 WeakPolarHBondContact O-CG 3.49Å; F20-Q22 PolarHBondContact O-N 3.39Å
23N51.3Low70.1Confident143 Ų14357.1 Ų57.177%0.76529%0.286SS*.THydrogen-bonded Turntrans-97.7-26.5-172.2-68.3-20.7000114A21 T26A21-N23 PolarHBondContact O-N 3Å; N23-T26 PolarHBondContact O-OG1 2.97Å
24S55Low70.8Confident46 Ų4657.1 Ų57.132%0.32229%0.286SS..THydrogen-bonded Turntrans-86.4-27.3-167.657.70000115.2T26 K127 G128S24-T26 PolarHBondContact O-N 3.1Å; S24-K127 WeakPolarHBondContact CB-O 3.06Å; S24-K127 PolarHBondContact OG-O 2.85Å; S24-G128 WeakPolarHBondContact O-CA 3.41Å
25L59.8Low71.5Confident1 Ų156.4 Ų56.41%0.00528%0.282CS..THydrogen-bonded Turntrans-63.5-7.9-175.3-88.3164.9000115.4I5 F14 F126 S132 A133I5-L25 HydrophobicContact CD1-CB 3.93Å; F14-L25 HydrophobicContact CZ-CD1 4.09Å; L25-F126 WeakPolarHBondContact CD2-O 3.46Å; L25-S132 WeakPolarHBondContact O-CB 3.28Å; L25-S132 PolarHBondContact O-OG 2.73Å; L25-A133 VanDerWaalsContact CD2-O 3.32Å; L25-A133 WeakPolarHBondContact CD2-O 3.32Å
26T60.2Low72.4Confident5 Ų553.9 Ų53.93%0.03127%0.274CS..SBendtrans-118.4-30.2-131.785.60000112.3Q2 I5 N23 S24Q2-T26 VanDerWaalsContact CA-O 3.22Å; Q2-T26 WeakPolarHBondContact CA-O 3.31Å; Q2-T26 VanDerWaalsContact CD-OG1 3.28Å; Q2-T26 PolarHBondContact N-O 3.34Å; Q2-T26 PolarHBondContact NE2-OG1 3.5Å; Q2-T26 PolarHBondContact OE1-O 3Å; Q2-T26 PolarHBondContact OE1-OG1 3.42Å; I5-T26 HydrophobicContact CB-CG2 3.66Å; I5-T26 HydrophobicContact CD1-CG2 3.9Å; I5-T26 HydrophobicContact CG1-CG2 4.33Å; I5-T26 HydrophobicContact CG2-CG2 3.72Å; N23-T26 PolarHBondContact O-OG1 2.97Å; S24-T26 PolarHBondContact O-N 3.1Å
27N61.3Low73.7Confident110 Ų11052.2 Ų52.259%0.58827%0.265SS*.SBendtrans-82.7138.9146.4-63.3-50.1000108.7Q2 S132Q2-N27 PolarHBondContact OE1-OD1 2.92Å; N27-S132 PolarHBondContact O-OG 3.03Å
28N78.5Confident75.5Confident94 Ų9447.9 Ų47.950%0.50325%0.246SC..SBendtrans75.721.6176.7-45.5-12.4000118.2R30 P130 T131 S132N28-R30 PolarHBondContact O-N 2.79Å; N28-P130 WeakPolarHBondContact CB-O 3.04Å; N28-P130 PolarHBondContact ND2-O 3.31Å; N28-T131 WeakPolarHBondContact O-CG2 3.42Å; N28-S132 PolarHBondContact O-N 3.05Å
29L86.8Confident77.4Confident0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-71.190.7173-179.773000112.8M1 I5 F32 I134M1-L29 WeakPolarHBondContact CE-O 3.48Å; M1-L29 HydrophobicContact CG-CB 3.73Å; M1-L29 WeakPolarHBondContact CG-O 3.27Å; M1-L29 HydrophobicContact SD-CB 4.34Å; M1-L29 PolarHBondContact SD-N 2.65Å; I5-L29 HydrophobicContact CD1-CD2 3.79Å; I5-L29 HydrophobicContact CG1-CD2 4.13Å; L29-F32 HydrophobicContact CD2-CE1 3.71Å; L29-F32 HydrophobicContact CD2-CE2 4.28Å; L29-F32 HydrophobicContact CD2-CZ 3.46Å; L29-F32 VanDerWaalsContact CD2-CZ 3.46Å; L29-F32 HydrophobicContact CG-CE1 4.36Å; L29-F32 HydrophobicContact CG-CE2 4.21Å; L29-F32 HydrophobicContact CG-CZ 3.88Å; L29-I134 HydrophobicContact CD1-CB 3.8Å; L29-I134 HydrophobicContact CD1-CG2 3.78Å; L29-I134 HydrophobicContact CD2-CG2 4.1Å; L29-I134 HydrophobicContact CG-CG2 4.46Å
30R91.3Very high79.6Confident88 Ų8839.9 Ų39.933%0.33220%0.201SC..EExtended strand (participates in β ladder)trans-92.3-39.8177.6-177.4170.2178-177.7-5.5113.4N28 D61 S62 V63 T131 S132N28-R30 PolarHBondContact O-N 2.79Å; R30-D61 WeakPolarHBondContact CG-OD1 3.43Å; R30-D61 IonicContact CZ-OD1 2.69Å; R30-D61 IonicContact CZ-OD2 2.64Å; R30-D61 VanDerWaalsContact CZ-OD2 3.3Å; R30-D61 VanDerWaalsContact NE-CG 3.35Å; R30-D61 IonicContact NE-OD1 2.98Å; R30-D61 PolarHBondContact NE-OD1 2.89Å; R30-D61 IonicContact NE-OD2 2.73Å; R30-D61 PolarHBondContact NE-OD2 3.48Å; R30-D61 VanDerWaalsContact NE-OD2 3.14Å; R30-D61 IonicContact NH2-OD1 3.74Å; R30-D61 IonicContact NH2-OD2 2.67Å; R30-D61 PolarHBondContact NH2-OD2 3.24Å; R30-S62 WeakPolarHBondContact CA-OG 3.47Å; R30-S62 WeakPolarHBondContact O-CB 3.32Å; R30-S62 PolarHBondContact O-N 3.46Å; R30-S62 PolarHBondContact O-OG 2.86Å; R30-V63 HydrophobicContact CG-CG2 4.07Å; R30-T131 HydrophobicContact CB-CG2 3.53Å; R30-S132 PolarHBondContact N-O 2.81Å
31W94.5Very high81.7Confident14 Ų1432.2 Ų32.25%0.05317%0.171CC..EExtended strand (participates in β ladder)trans-104.3127.2-163.2-51.6110.5000111.6F33 I59 D61 I68 L122 C124 S132 A133 I134W31-F33 HydrophobicContact CB-CE2 4.09Å; W31-I59 HydrophobicContact CE3-CG2 4.4Å; W31-D61 HydrophobicContact CE3-CB 4.08Å; W31-D61 HydrophobicContact CH2-CB 4.44Å; W31-D61 HydrophobicContact CZ3-CB 3.54Å; W31-D61 VanDerWaalsContact CZ3-CG 3.49Å; W31-I68 HydrophobicContact CE3-CD1 3.69Å; W31-I68 HydrophobicContact CE3-CG1 4.49Å; W31-I68 HydrophobicContact CH2-CD1 4.15Å; W31-I68 HydrophobicContact CZ3-CD1 3.35Å; W31-I68 HydrophobicContact CZ3-CG1 4.14Å; W31-L122 HydrophobicContact CD2-CB 4.36Å; W31-L122 HydrophobicContact CD2-CD1 4.15Å; W31-L122 HydrophobicContact CE3-CD1 4.25Å; W31-L122 HydrophobicContact CE3-CD2 4.4Å; W31-L122 HydrophobicContact CG-CD1 4.46Å; W31-L122 HydrophobicContact CH2-CD2 3.79Å; W31-L122 HydrophobicContact CZ2-CB 4.14Å; W31-L122 HydrophobicContact CZ2-CD2 3.91Å; W31-L122 HydrophobicContact CZ3-CD2 4.03Å; W31-L122 PolarHBondContact NE1-O 3.23Å; W31-C124 HydrophobicContact CG-CB 4.32Å; W31-S132 PolarHBondContact N-O 3.14Å; W31-A133 HydrophobicContact CB-CB 4.04Å; W31-A133 VanDerWaalsContact O-CA 3.29Å; W31-A133 WeakPolarHBondContact O-CA 3.33Å; W31-I134 PolarHBondContact O-N 3.3Å
32F95.5Very high83.6Confident1 Ų133.2 Ų33.20%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-115.2124.1176.8-65.3-99.1000108.5L29 I34 I59 L60 I134 V136 I166 L218 L222L29-F32 HydrophobicContact CD2-CE1 3.71Å; L29-F32 HydrophobicContact CD2-CE2 4.28Å; L29-F32 HydrophobicContact CD2-CZ 3.46Å; L29-F32 VanDerWaalsContact CD2-CZ 3.46Å; L29-F32 HydrophobicContact CG-CE1 4.36Å; L29-F32 HydrophobicContact CG-CE2 4.21Å; L29-F32 HydrophobicContact CG-CZ 3.88Å; F32-I34 HydrophobicContact CB-CD1 4.02Å; F32-I34 WeakPolarHBondContact O-CD1 3.1Å; F32-I59 WeakPolarHBondContact O-CA 3.3Å; F32-L60 HydrophobicContact CB-CB 4.35Å; F32-L60 PolarHBondContact N-O 2.87Å; F32-L60 PolarHBondContact O-N 3.41Å; F32-I134 HydrophobicContact CD1-CG2 3.54Å; F32-I134 HydrophobicContact CE1-CG2 3.8Å; F32-I134 HydrophobicContact CG-CG2 4.36Å; F32-V136 HydrophobicContact CB-CG2 4.2Å; F32-V136 HydrophobicContact CD1-CG2 3.69Å; F32-V136 HydrophobicContact CG-CG2 4.44Å; F32-I166 HydrophobicContact CE1-CD1 4.39Å; F32-L218 HydrophobicContact CB-CD2 3.77Å; F32-L218 HydrophobicContact CD1-CD1 4.47Å; F32-L218 HydrophobicContact CD1-CD2 3.78Å; F32-L218 HydrophobicContact CE1-CD1 4.46Å; F32-L218 HydrophobicContact CG-CD2 3.81Å; F32-L222 HydrophobicContact CE2-CD1 4.26Å; F32-L222 HydrophobicContact CZ-CD1 4.43Å; F32-L222 HydrophobicContact CZ-CD2 4.29Å
33F97.7Very high85.4Confident0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-101.396.2178.2-74.7-111.6000107.5W31 V57 I59 W114 L115 A118 L122 F126 A133 I134 F135 V136W31-F33 HydrophobicContact CB-CE2 4.09Å; F33-V57 HydrophobicContact CB-CG1 4Å; F33-V57 HydrophobicContact CD1-CG1 4.14Å; F33-I59 HydrophobicContact CD1-CD1 4.04Å; F33-I59 HydrophobicContact CD1-CG1 3.8Å; F33-I59 HydrophobicContact CD2-CG2 4.34Å; F33-I59 HydrophobicContact CE1-CD1 3.33Å; F33-I59 HydrophobicContact CE1-CG1 3.64Å; F33-I59 HydrophobicContact CE2-CD1 4.43Å; F33-I59 HydrophobicContact CE2-CG2 4.08Å; F33-I59 HydrophobicContact CG-CG1 4.35Å; F33-I59 HydrophobicContact CZ-CD1 3.57Å; F33-I59 HydrophobicContact CZ-CG1 4.07Å; F33-I59 HydrophobicContact CZ-CG2 4.22Å; F33-W114 HydrophobicContact CD1-CH2 4.03Å; F33-W114 HydrophobicContact CD1-CZ3 4.14Å; F33-W114 AromaticContact CE1-CH2 3.97Å; F33-W114 HydrophobicContact CE1-CH2 3.97Å; F33-W114 HydrophobicContact CE1-CZ3 4.1Å; F33-L115 HydrophobicContact CD1-CD1 3.79Å; F33-L115 HydrophobicContact CE1-CD1 3.42Å; F33-L115 VanDerWaalsContact CE1-CD1 3.42Å; F33-L115 HydrophobicContact CZ-CD1 4.17Å; F33-A118 HydrophobicContact CE1-CB 4.25Å; F33-A118 HydrophobicContact CZ-CB 4.38Å; F33-L122 HydrophobicContact CZ-CD1 4.42Å; F33-F126 HydrophobicContact CD1-CZ 4.17Å; F33-F126 AromaticContact CD2-CE1 3.89Å; F33-F126 HydrophobicContact CD2-CE1 3.89Å; F33-F126 AromaticContact CD2-CZ 3.66Å; F33-F126 HydrophobicContact CD2-CZ 3.66Å; F33-F126 HydrophobicContact CE1-CZ 4.23Å; F33-F126 HydrophobicContact CE2-CE1 4.28Å; F33-F126 AromaticContact CE2-CZ 3.73Å; F33-F126 HydrophobicContact CE2-CZ 3.73Å; F33-F126 HydrophobicContact CG-CE1 4.26Å; F33-F126 AromaticContact CG-CZ 3.9Å; F33-F126 HydrophobicContact CG-CZ 3.9Å; F33-F126 HydrophobicContact CZ-CZ 4.02Å; F33-A133 HydrophobicContact CD2-CB 4.15Å; F33-A133 HydrophobicContact CE2-CB 3.78Å; F33-I134 PolarHBondContact N-O 3.24Å; F33-F135 HydrophobicContact CB-CD1 3.61Å; F33-F135 HydrophobicContact CB-CE1 3.59Å; F33-F135 HydrophobicContact CB-CG 4.15Å; F33-F135 HydrophobicContact CB-CZ 4.11Å; F33-F135 HydrophobicContact CD1-CE1 4.33Å; F33-F135 HydrophobicContact CD1-CZ 4.31Å; F33-F135 HydrophobicContact CG-CE1 4.29Å; F33-F135 HydrophobicContact CG-CZ 4.38Å; F33-F135 CarbonylContact O-C 3.5Å; F33-F135 VanDerWaalsContact O-CA 3.27Å; F33-F135 WeakPolarHBondContact O-CA 3.29Å; F33-F135 WeakPolarHBondContact O-CD1 3.25Å; F33-V136 PolarHBondContact O-N 2.93Å
34I98.5Very high87Confident0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-92.3130.5-174.6-52.894.4000109.3F32 V57 V58 L60 V136 A211 T214 L218F32-I34 HydrophobicContact CB-CD1 4.02Å; F32-I34 WeakPolarHBondContact O-CD1 3.1Å; I34-V57 CarbonylContact O-C 3.48Å; I34-V57 VanDerWaalsContact O-CA 3.28Å; I34-V57 WeakPolarHBondContact O-CA 3.33Å; I34-V58 HydrophobicContact CB-CG2 3.91Å; I34-V58 HydrophobicContact CD1-CG2 4.17Å; I34-V58 PolarHBondContact N-O 3.48Å; I34-V58 PolarHBondContact O-N 3.41Å; I34-L60 HydrophobicContact CD1-CB 3.54Å; I34-L60 HydrophobicContact CD1-CD2 4.48Å; I34-V136 WeakPolarHBondContact CA-O 3.2Å; I34-V136 HydrophobicContact CG1-CB 4.08Å; I34-V136 HydrophobicContact CG1-CG2 4.47Å; I34-A211 HydrophobicContact CG2-CB 4.41Å; I34-A211 WeakPolarHBondContact CG2-O 3.29Å; I34-T214 HydrophobicContact CG2-CG2 3.37Å; I34-L218 HydrophobicContact CD1-CD2 4.26Å; I34-L218 HydrophobicContact CG1-CD2 4.08Å
35L98.1Very high88.4Confident0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-134.6158.217769.787.2000111.9F37 P56 V57 F135 V136 T137 D142 I143 M162L35-F37 HydrophobicContact CD1-CD1 4.24Å; L35-F37 HydrophobicContact CD1-CD2 4.18Å; L35-F37 HydrophobicContact CD1-CE1 3.97Å; L35-F37 HydrophobicContact CD1-CE2 3.9Å; L35-F37 HydrophobicContact CD1-CG 4.34Å; L35-F37 HydrophobicContact CD1-CZ 3.8Å; L35-F37 HydrophobicContact CD2-CZ 4.16Å; L35-P56 VanDerWaalsContact CB-O 3.22Å; L35-P56 WeakPolarHBondContact CB-O 3.4Å; L35-V57 HydrophobicContact CB-CG2 3.98Å; L35-F135 HydrophobicContact CD2-CD1 3.76Å; L35-F135 HydrophobicContact CD2-CE1 4.2Å; L35-V136 PolarHBondContact N-O 3.4Å; L35-T137 HydrophobicContact CD1-CG2 3.63Å; L35-T137 HydrophobicContact CG-CG2 3.93Å; L35-D142 HydrophobicContact CD1-CB 3.71Å; L35-I143 HydrophobicContact CD1-CD1 4.49Å; L35-I143 HydrophobicContact CD1-CG1 4.49Å; L35-I143 HydrophobicContact CD2-CD1 3.9Å; L35-M162 HydrophobicContact CD2-CE 3.42Å; L35-M162 VanDerWaalsContact CD2-CE 3.42Å
36D98.3Very high89.4Confident22 Ų2245.5 Ų45.512%0.11823%0.231CC..  trans-153.4113.8176.1-141.2-57.5000106.8P56 G207 D210 A211D36-P56 WeakPolarHBondContact O-CD 3.48Å; D36-P56 WeakPolarHBondContact O-CG 3.45Å; D36-G207 WeakPolarHBondContact O-CA 3.31Å; D36-D210 HydrophobicContact CB-CB 3.99Å; D36-A211 HydrophobicContact CB-CB 4.4Å
37F98.3Very high90.6Very high6 Ų654.1 Ų54.13%0.02627%0.268CS..  trans-93.7124.8-175.1-64.2-37.9000111.5L35 I52 F55 D142 I143 L147 M162L35-F37 HydrophobicContact CD1-CD1 4.24Å; L35-F37 HydrophobicContact CD1-CD2 4.18Å; L35-F37 HydrophobicContact CD1-CE1 3.97Å; L35-F37 HydrophobicContact CD1-CE2 3.9Å; L35-F37 HydrophobicContact CD1-CG 4.34Å; L35-F37 HydrophobicContact CD1-CZ 3.8Å; L35-F37 HydrophobicContact CD2-CZ 4.16Å; F37-I52 HydrophobicContact CB-CG1 4.49Å; F37-I52 HydrophobicContact CB-CG2 4.45Å; F37-I52 HydrophobicContact CD1-CG2 4.44Å; F37-I52 HydrophobicContact CD2-CD1 3.94Å; F37-I52 HydrophobicContact CD2-CG1 4.4Å; F37-I52 HydrophobicContact CE2-CD1 4.1Å; F37-I52 HydrophobicContact CG-CD1 4.23Å; F37-I52 HydrophobicContact CG-CG1 4.43Å; F37-I52 HydrophobicContact CG-CG2 4.47Å; F37-I52 HydrophobicContact CZ-CD1 4.49Å; F37-F55 HydrophobicContact CD1-CD2 4.26Å; F37-F55 HydrophobicContact CD1-CG 4.18Å; F37-F55 HydrophobicContact CE1-CB 4.41Å; F37-F55 AromaticContact CE1-CD1 3.69Å; F37-F55 HydrophobicContact CE1-CD1 3.69Å; F37-F55 AromaticContact CE1-CD2 3.6Å; F37-F55 HydrophobicContact CE1-CD2 3.6Å; F37-F55 AromaticContact CE1-CE1 3.74Å; F37-F55 HydrophobicContact CE1-CE1 3.74Å; F37-F55 AromaticContact CE1-CE2 3.66Å; F37-F55 HydrophobicContact CE1-CE2 3.66Å; F37-F55 AromaticContact CE1-CG 3.62Å; F37-F55 HydrophobicContact CE1-CG 3.62Å; F37-F55 AromaticContact CE1-CZ 3.74Å; F37-F55 HydrophobicContact CE1-CZ 3.74Å; F37-F55 HydrophobicContact CZ-CD2 4.06Å; F37-F55 HydrophobicContact CZ-CE1 4.15Å; F37-F55 AromaticContact CZ-CE2 3.67Å; F37-F55 HydrophobicContact CZ-CE2 3.67Å; F37-F55 HydrophobicContact CZ-CG 4.47Å; F37-F55 AromaticContact CZ-CZ 3.73Å; F37-F55 HydrophobicContact CZ-CZ 3.73Å; F37-D142 HydrophobicContact CD2-CB 3.74Å; F37-D142 WeakPolarHBondContact CD2-O 3.45Å; F37-D142 HydrophobicContact CE2-CB 4.19Å; F37-D142 WeakPolarHBondContact CE2-O 3.38Å; F37-D142 HydrophobicContact CG-CB 4.42Å; F37-D142 PolarHBondContact N-OD1 3.27Å; F37-I143 HydrophobicContact CE2-CG1 4.31Å; F37-L147 HydrophobicContact CD2-CB 4.49Å; F37-L147 HydrophobicContact CE2-CB 3.84Å; F37-L147 HydrophobicContact CE2-CD2 4.14Å; F37-L147 HydrophobicContact CE2-CG 4.44Å; F37-L147 HydrophobicContact CZ-CD2 4.29Å; F37-M162 HydrophobicContact CZ-CE 4.16Å
38E98.4Very high92.1Very high14 Ų1452.8 Ų52.87%0.06526%0.257CS..EExtended strand (participates in β ladder)trans-80.4143.1163.3-57.6-56.3155.700110.1I53 E54 T91 I93 H205 R206 G207E38-I53 HydrophobicContact CB-CG1 4.02Å; E38-I53 WeakPolarHBondContact O-CG1 3.09Å; E38-I53 PolarHBondContact O-N 3.46Å; E38-E54 HydrophobicContact CB-CB 3.8Å; E38-E54 HydrophobicContact CG-CB 4.03Å; E38-E54 PolarHBondContact N-O 2.81Å; E38-E54 PolarHBondContact O-N 3.48Å; E38-T91 HydrophobicContact CB-CG2 4.22Å; E38-T91 HydrophobicContact CG-CG2 4.36Å; E38-T91 WeakPolarHBondContact OE2-CG2 3.14Å; E38-I93 HydrophobicContact CB-CD1 3.66Å; E38-I93 HydrophobicContact CG-CD1 4.05Å; E38-H205 VanDerWaalsContact CD-C 3.46Å; E38-H205 VanDerWaalsContact CD-O 3.26Å; E38-H205 WeakPolarHBondContact OE1-CA 3.43Å; E38-R206 PolarHBondContact OE1-N 2.92Å; E38-G207 PolarHBondContact OE1-N 2.96Å
39S97.9Very high92.8Very high16 Ų1650.5 Ų50.511%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-135.8159-17765.40000113.3C41 E51 W141S39-C41 PolarHBondContact O-N 2.89Å; S39-E51 CarbonylContact C-O 3.55Å; S39-E51 WeakPolarHBondContact CA-O 3.35Å; S39-E51 WeakPolarHBondContact CB-O 3.4Å; S39-W141 WeakPolarHBondContact OG-CH2 3.49Å
40T97.6Very high93.2Very high4 Ų451.8 Ų51.83%0.02526%0.258CS..  trans-58.8129.2167.256.50000110.1E51 I53 P77 L83T40-E51 HydrophobicContact CG2-CB 4.29Å; T40-E51 PolarHBondContact N-O 3.1Å; T40-E51 PolarHBondContact OG1-N 2.94Å; T40-I53 HydrophobicContact CG2-CG2 3.62Å; T40-P77 HydrophobicContact CG2-CB 3.88Å; T40-P77 HydrophobicContact CG2-CG 4.06Å; T40-L83 HydrophobicContact CG2-CD2 4.01Å
41C95Very high93.6Very high29 Ų2947.6 Ų47.620%0.19624%0.242CC..  trans-138150.9177.448.20000110.9S39 S84 F86 C87S39-C41 PolarHBondContact O-N 2.89Å; C41-S84 PolarHBondContact O-OG 3.29Å; C41-F86 HydrophobicContact CB-CD1 4.47Å; C41-F86 HydrophobicContact CB-CE1 4.37Å; C41-C87 VanDerWaalsContact SG-CB 3.58Å
42F91.8Very high93.8Very high33 Ų3346.9 Ų46.915%0.14524%0.239CC..  trans-138.1120.8-173.7-56.3-87.2000108.2D44 D45 K48 N80F42-D44 PolarHBondContact O-N 3.44Å; F42-D45 HydrophobicContact CB-CB 4.32Å; F42-K48 HydrophobicContact CB-CD 4.41Å; F42-K48 HydrophobicContact CD1-CD 3.8Å; F42-K48 HydrophobicContact CD2-CB 3.56Å; F42-K48 HydrophobicContact CD2-CD 3.54Å; F42-K48 HydrophobicContact CD2-CG 4.19Å; F42-K48 HydrophobicContact CE1-CD 3.92Å; F42-K48 HydrophobicContact CE2-CB 3.75Å; F42-K48 HydrophobicContact CE2-CD 3.67Å; F42-K48 HydrophobicContact CE2-CG 4.35Å; F42-K48 HydrophobicContact CG-CB 4.38Å; F42-K48 HydrophobicContact CG-CD 3.63Å; F42-K48 HydrophobicContact CZ-CD 3.88Å; F42-N80 HydrophobicContact CE2-CB 4.28Å; F42-N80 HydrophobicContact CZ-CB 3.71Å
43E87.2Confident93.9Very high136 Ų13646.9 Ų46.964%0.63624%0.239SC*.SBendtrans-63.1-42.5-175.8-168.4163.2-154.100111.8F86E43-F86 HydrophobicContact CB-CB 4.15Å; E43-F86 HydrophobicContact CB-CD2 3.89Å; E43-F86 HydrophobicContact CB-CE2 4.45Å; E43-F86 HydrophobicContact CB-CG 3.93Å; E43-F86 HydrophobicContact CG-CD2 4.03Å; E43-F86 HydrophobicContact CG-CE2 4.3Å; E43-F86 WeakPolarHBondContact OE2-CD2 3.46Å
44D85.5Confident94Very high163 Ų16346.9 Ų46.987%0.87224%0.239SC*.SBendtrans-93.8-10.6-176.3-56.7-59.8000115.1F42F42-D44 PolarHBondContact O-N 3.44Å
45D84Confident94Very high61 Ų6146.9 Ų46.933%0.32624%0.239SC..  trans-137.376.8-172.8-168.10.9000113.5F42 K47 K48F42-D45 HydrophobicContact CB-CB 4.32Å; D45-K47 PolarHBondContact O-N 3.03Å; D45-K47 WeakPolarHBondContact OD1-CB 3.16Å; D45-K47 PolarHBondContact OD1-N 2.82Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å; D45-K48 HydrophobicContact CB-CD 4.29Å; D45-K48 HydrophobicContact CB-CG 4.46Å; D45-K48 PolarHBondContact O-N 2.83Å; D45-K48 WeakPolarHBondContact OD2-CE 3.33Å; D45-K48 WeakPolarHBondContact OD2-CG 3.17Å
46I81.4Confident94Very high159 Ų15946.9 Ų46.982%0.81524%0.239SC*.THydrogen-bonded Turntrans-64.8-2.5174.465.8169.9000114.4
47K86Confident94Very high187 Ų18745.8 Ų45.881%0.81323%0.233SC*.THydrogen-bonded Turntrans-88.6-18.6177.8-59.5178.1-178.2172.10112.5D45D45-K47 PolarHBondContact O-N 3.03Å; D45-K47 WeakPolarHBondContact OD1-CB 3.16Å; D45-K47 PolarHBondContact OD1-N 2.82Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å
48K91.2Very high94Very high82 Ų8245.6 Ų45.636%0.35723%0.232SC..SBendtrans-64.4132176.2-77.2176.3175.3-1670109.9F42 D45 A50 N80F42-K48 HydrophobicContact CB-CD 4.41Å; F42-K48 HydrophobicContact CD1-CD 3.8Å; F42-K48 HydrophobicContact CD2-CB 3.56Å; F42-K48 HydrophobicContact CD2-CD 3.54Å; F42-K48 HydrophobicContact CD2-CG 4.19Å; F42-K48 HydrophobicContact CE1-CD 3.92Å; F42-K48 HydrophobicContact CE2-CB 3.75Å; F42-K48 HydrophobicContact CE2-CD 3.67Å; F42-K48 HydrophobicContact CE2-CG 4.35Å; F42-K48 HydrophobicContact CG-CB 4.38Å; F42-K48 HydrophobicContact CG-CD 3.63Å; F42-K48 HydrophobicContact CZ-CD 3.88Å; D45-K48 HydrophobicContact CB-CD 4.29Å; D45-K48 HydrophobicContact CB-CG 4.46Å; D45-K48 PolarHBondContact O-N 2.83Å; D45-K48 WeakPolarHBondContact OD2-CE 3.33Å; D45-K48 WeakPolarHBondContact OD2-CG 3.17Å; K48-A50 PolarHBondContact O-N 2.82Å; K48-N80 WeakPolarHBondContact CD-OD1 3.4Å
49P93.7Very high94Very high45 Ų4544.9 Ų44.929%0.29223%0.229SC..PPolyproline II helixtrans-66.1130.1177.326.8-32.7000109.8E79P49-E79 VanDerWaalsContact CG-OE2 3.25Å; P49-E79 WeakPolarHBondContact CG-OE2 3.42Å
50A96.2Very high94Very high27 Ų2744.2 Ų44.222%0.22323%0.225CC..PPolyproline II helixtrans-61.9135.8168.800000110K48 W141 R153K48-A50 PolarHBondContact O-N 2.82Å; A50-W141 HydrophobicContact CB-CH2 4.34Å; A50-W141 HydrophobicContact CB-CZ2 4.33Å; A50-R153 PolarHBondContact O-NH2 3.29Å
51E98.1Very high93.9Very high0 Ų044.2 Ų44.20%022%0.224CC..  trans-122.9134.9171.4-63.9179.99300108.2S39 T40 I53 P77 T78 E79 N80 E150 K154S39-E51 CarbonylContact C-O 3.55Å; S39-E51 WeakPolarHBondContact CA-O 3.35Å; S39-E51 WeakPolarHBondContact CB-O 3.4Å; T40-E51 HydrophobicContact CG2-CB 4.29Å; T40-E51 PolarHBondContact N-O 3.1Å; T40-E51 PolarHBondContact OG1-N 2.94Å; E51-I53 PolarHBondContact O-N 3.06Å; E51-P77 HydrophobicContact CB-CB 4.01Å; E51-P77 HydrophobicContact CG-CB 4.5Å; E51-P77 WeakPolarHBondContact OE2-CB 3.27Å; E51-T78 PolarHBondContact OE1-N 2.87Å; E51-T78 PolarHBondContact OE1-OG1 3.17Å; E51-E79 VanDerWaalsContact CD-N 3.35Å; E51-E79 PolarHBondContact OE1-N 3.42Å; E51-E79 WeakPolarHBondContact OE2-CA 3.18Å; E51-E79 WeakPolarHBondContact OE2-CB 3.25Å; E51-E79 PolarHBondContact OE2-N 2.99Å; E51-N80 PolarHBondContact OE2-N 3.07Å; E51-E150 WeakPolarHBondContact CA-OE2 3.34Å; E51-K154 VanDerWaalsContact OE1-CE 3.3Å; E51-K154 WeakPolarHBondContact OE1-CE 3.36Å; E51-K154 IonicContact OE1-NZ 2.65Å; E51-K154 PolarHBondContact OE1-NZ 3.22Å
52I98.5Very high93.7Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-59.4132.9174.9-60.5171.4000108.4F37 E54 F55 V75 L104 C146 L147 E150F37-I52 HydrophobicContact CB-CG1 4.49Å; F37-I52 HydrophobicContact CB-CG2 4.45Å; F37-I52 HydrophobicContact CD1-CG2 4.44Å; F37-I52 HydrophobicContact CD2-CD1 3.94Å; F37-I52 HydrophobicContact CD2-CG1 4.4Å; F37-I52 HydrophobicContact CE2-CD1 4.1Å; F37-I52 HydrophobicContact CG-CD1 4.23Å; F37-I52 HydrophobicContact CG-CG1 4.43Å; F37-I52 HydrophobicContact CG-CG2 4.47Å; F37-I52 HydrophobicContact CZ-CD1 4.49Å; I52-E54 WeakPolarHBondContact CG2-O 3.34Å; I52-F55 HydrophobicContact CD1-CD2 4.4Å; I52-F55 HydrophobicContact CG2-CB 4.27Å; I52-F55 HydrophobicContact CG2-CD2 4.34Å; I52-V75 HydrophobicContact CG2-CB 4.42Å; I52-V75 HydrophobicContact CG2-CG2 3.85Å; I52-V75 VanDerWaalsContact O-CB 3.28Å; I52-V75 WeakPolarHBondContact O-CB 3.44Å; I52-V75 WeakPolarHBondContact O-CG1 3.5Å; I52-L104 HydrophobicContact CD1-CD1 4.21Å; I52-L104 HydrophobicContact CD1-CD2 4.47Å; I52-C146 VanDerWaalsContact CG1-SG 3.56Å; I52-L147 HydrophobicContact CD1-CB 4.12Å; I52-L147 HydrophobicContact CD1-CD1 3.73Å; I52-E150 PolarHBondContact N-OE2 3.24Å
53I98.7Very high93.6Very high0 Ų047.4 Ų47.40%025%0.247CC..EExtended strand (participates in β ladder)trans-122-20.6175.957.6174.2000113E38 T40 E51 F74 V75 P77 L83 C87 I93 V98E38-I53 HydrophobicContact CB-CG1 4.02Å; E38-I53 WeakPolarHBondContact O-CG1 3.09Å; E38-I53 PolarHBondContact O-N 3.46Å; T40-I53 HydrophobicContact CG2-CG2 3.62Å; E51-I53 PolarHBondContact O-N 3.06Å; I53-F74 CarbonylContact O-C 3.55Å; I53-F74 VanDerWaalsContact O-CA 3.3Å; I53-F74 WeakPolarHBondContact O-CA 3.31Å; I53-V75 PolarHBondContact O-N 3.32Å; I53-P77 HydrophobicContact CG2-CB 4.38Å; I53-P77 HydrophobicContact CG2-CG 4.01Å; I53-L83 HydrophobicContact CD1-CD2 4.04Å; I53-L83 HydrophobicContact CG2-CD2 4.12Å; I53-C87 VanDerWaalsContact CD1-SG 3.6Å; I53-I93 HydrophobicContact CB-CD1 4.44Å; I53-I93 HydrophobicContact CD1-CB 4.41Å; I53-I93 HydrophobicContact CD1-CD1 3.59Å; I53-I93 HydrophobicContact CD1-CG2 4.43Å; I53-I93 HydrophobicContact CG1-CD1 3.66Å; I53-V98 HydrophobicContact CB-CG1 3.91Å; I53-V98 HydrophobicContact CG2-CG1 4.18Å
54E98.8Very high93.9Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-131.4130.1165.6-166.4174.5152.700109.9E38 I52 P56 Q72 F74 I93 R206 I208E38-E54 HydrophobicContact CB-CB 3.8Å; E38-E54 HydrophobicContact CG-CB 4.03Å; E38-E54 PolarHBondContact N-O 2.81Å; E38-E54 PolarHBondContact O-N 3.48Å; I52-E54 WeakPolarHBondContact CG2-O 3.34Å; E54-P56 HydrophobicContact CG-CG 4.31Å; E54-P56 WeakPolarHBondContact O-CD 3.35Å; E54-Q72 PolarHBondContact OE1-NE2 2.8Å; E54-F74 HydrophobicContact CB-CD1 4.25Å; E54-F74 HydrophobicContact CB-CE1 4.43Å; E54-F74 HydrophobicContact CG-CD1 4.14Å; E54-F74 HydrophobicContact CG-CE1 4.07Å; E54-I93 HydrophobicContact CB-CD1 3.96Å; E54-R206 WeakPolarHBondContact OE2-CD 3.48Å; E54-R206 IonicContact OE2-NH1 3.79Å; E54-R206 PolarHBondContact OE2-NH1 2.77Å; E54-I208 PolarHBondContact OE1-N 3.1Å; E54-I208 VanDerWaalsContact OE1-N 3.17Å
55F98.6Very high94.3Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-120.189.5177.3-162.8-57.9000109.3F37 I52 V57 F71 Q72 S73 V75 L104 V107 L108 F111 L147 M162F37-F55 HydrophobicContact CD1-CD2 4.26Å; F37-F55 HydrophobicContact CD1-CG 4.18Å; F37-F55 HydrophobicContact CE1-CB 4.41Å; F37-F55 AromaticContact CE1-CD1 3.69Å; F37-F55 HydrophobicContact CE1-CD1 3.69Å; F37-F55 AromaticContact CE1-CD2 3.6Å; F37-F55 HydrophobicContact CE1-CD2 3.6Å; F37-F55 AromaticContact CE1-CE1 3.74Å; F37-F55 HydrophobicContact CE1-CE1 3.74Å; F37-F55 AromaticContact CE1-CE2 3.66Å; F37-F55 HydrophobicContact CE1-CE2 3.66Å; F37-F55 AromaticContact CE1-CG 3.62Å; F37-F55 HydrophobicContact CE1-CG 3.62Å; F37-F55 AromaticContact CE1-CZ 3.74Å; F37-F55 HydrophobicContact CE1-CZ 3.74Å; F37-F55 HydrophobicContact CZ-CD2 4.06Å; F37-F55 HydrophobicContact CZ-CE1 4.15Å; F37-F55 AromaticContact CZ-CE2 3.67Å; F37-F55 HydrophobicContact CZ-CE2 3.67Å; F37-F55 HydrophobicContact CZ-CG 4.47Å; F37-F55 AromaticContact CZ-CZ 3.73Å; F37-F55 HydrophobicContact CZ-CZ 3.73Å; I52-F55 HydrophobicContact CD1-CD2 4.4Å; I52-F55 HydrophobicContact CG2-CB 4.27Å; I52-F55 HydrophobicContact CG2-CD2 4.34Å; F55-V57 HydrophobicContact CD1-CG2 4.34Å; F55-V57 HydrophobicContact CE1-CG2 4Å; F55-F71 HydrophobicContact CB-CE1 4.44Å; F55-F71 AromaticContact CD1-CD1 3.91Å; F55-F71 HydrophobicContact CD1-CD1 3.91Å; F55-F71 AromaticContact CD1-CE1 3.72Å; F55-F71 HydrophobicContact CD1-CE1 3.72Å; F55-F71 HydrophobicContact CE1-CD1 4.46Å; F55-F71 HydrophobicContact CE1-CE1 4.36Å; F55-F71 HydrophobicContact CG-CE1 4.31Å; F55-F71 WeakPolarHBondContact O-CD1 3.18Å; F55-F71 WeakPolarHBondContact O-CE1 3.5Å; F55-Q72 WeakPolarHBondContact O-CA 3.4Å; F55-S73 PolarHBondContact N-O 3.5Å; F55-S73 PolarHBondContact O-N 2.71Å; F55-V75 HydrophobicContact CB-CG2 3.88Å; F55-L104 HydrophobicContact CD2-CD1 4.2Å; F55-L104 HydrophobicContact CE2-CD1 4.42Å; F55-V107 HydrophobicContact CB-CG1 3.9Å; F55-V107 HydrophobicContact CD2-CG1 4.05Å; F55-V107 HydrophobicContact CG-CG1 3.99Å; F55-L108 HydrophobicContact CE2-CD2 3.84Å; F55-L108 HydrophobicContact CZ-CD2 4.29Å; F55-F111 HydrophobicContact CD1-CD2 4.41Å; F55-F111 HydrophobicContact CE1-CB 4.34Å; F55-F111 HydrophobicContact CE1-CD1 4.21Å; F55-F111 AromaticContact CE1-CD2 3.63Å; F55-F111 HydrophobicContact CE1-CD2 3.63Å; F55-F111 AromaticContact CE1-CE2 3.98Å; F55-F111 HydrophobicContact CE1-CE2 3.98Å; F55-F111 AromaticContact CE1-CG 3.76Å; F55-F111 HydrophobicContact CE1-CG 3.76Å; F55-F111 HydrophobicContact CE1-CZ 4.42Å; F55-F111 HydrophobicContact CZ-CD1 4.07Å; F55-F111 HydrophobicContact CZ-CD2 4.31Å; F55-F111 HydrophobicContact CZ-CE1 4.43Å; F55-F111 HydrophobicContact CZ-CG 4.01Å; F55-L147 HydrophobicContact CE2-CD1 4.36Å; F55-M162 HydrophobicContact CE1-CE 3.8Å; F55-M162 HydrophobicContact CZ-CE 3.54Å; F55-M162 HydrophobicContact CZ-SD 4.29Å
56P98.5Very high94.9Very high0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-104.5146.3175.331-17.1000112L35 D36 E54 F71 Q72 G207 I208L35-P56 VanDerWaalsContact CB-O 3.22Å; L35-P56 WeakPolarHBondContact CB-O 3.4Å; D36-P56 WeakPolarHBondContact O-CD 3.48Å; D36-P56 WeakPolarHBondContact O-CG 3.45Å; E54-P56 HydrophobicContact CG-CG 4.31Å; E54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-F71 CarbonylContact C-O 3.54Å; P56-F71 VanDerWaalsContact CA-O 3.29Å; P56-F71 WeakPolarHBondContact CA-O 3.44Å; P56-Q72 HydrophobicContact CB-CG 4.31Å; P56-G207 WeakPolarHBondContact CG-O 3.43Å; P56-I208 HydrophobicContact CB-CB 3.96Å; P56-I208 HydrophobicContact CB-CD1 3.81Å; P56-I208 HydrophobicContact CB-CG1 4.49Å
57V98.7Very high95.7Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-141.3130.1167.3-1720000108.4F33 I34 L35 F55 S70 F71 F111 W114 F135F33-V57 HydrophobicContact CB-CG1 4Å; F33-V57 HydrophobicContact CD1-CG1 4.14Å; I34-V57 CarbonylContact O-C 3.48Å; I34-V57 VanDerWaalsContact O-CA 3.28Å; I34-V57 WeakPolarHBondContact O-CA 3.33Å; L35-V57 HydrophobicContact CB-CG2 3.98Å; F55-V57 HydrophobicContact CD1-CG2 4.34Å; F55-V57 HydrophobicContact CE1-CG2 4Å; V57-S70 CarbonylContact O-C 3.38Å; V57-S70 WeakPolarHBondContact O-CA 3.28Å; V57-F71 HydrophobicContact CB-CB 4.36Å; V57-F71 PolarHBondContact N-O 3.12Å; V57-F71 PolarHBondContact O-N 3.32Å; V57-F111 HydrophobicContact CB-CE2 4.41Å; V57-F111 HydrophobicContact CG2-CD2 4.3Å; V57-F111 HydrophobicContact CG2-CE2 3.64Å; V57-F111 HydrophobicContact CG2-CZ 4.38Å; V57-W114 HydrophobicContact CB-CH2 4.14Å; V57-W114 HydrophobicContact CB-CZ3 4.19Å; V57-W114 HydrophobicContact CG1-CH2 4.08Å; V57-W114 HydrophobicContact CG1-CZ3 4.23Å; V57-F135 HydrophobicContact CG1-CE1 4.23Å
58V98.7Very high96.3Very high1 Ų128.6 Ų28.61%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-111.4143.2170.6-57.40000110.4I34 L67 I208 A211 R212I34-V58 HydrophobicContact CB-CG2 3.91Å; I34-V58 HydrophobicContact CD1-CG2 4.17Å; I34-V58 PolarHBondContact N-O 3.48Å; I34-V58 PolarHBondContact O-N 3.41Å; V58-L67 HydrophobicContact CB-CD1 4.38Å; V58-L67 HydrophobicContact CB-CD2 4.02Å; V58-L67 HydrophobicContact CG2-CD1 4.44Å; V58-L67 HydrophobicContact CG2-CD2 3.85Å; V58-I208 HydrophobicContact CG1-CD1 3.59Å; V58-A211 HydrophobicContact CG1-CB 4.42Å; V58-A211 HydrophobicContact CG2-CB 4.17Å; V58-R212 HydrophobicContact CG1-CG 4.15Å
59I98.3Very high96.6Very high0 Ų027.9 Ų27.90%017%0.171CC..EExtended strand (participates in β ladder)trans-103.3117.8176.8-46.7-179.3000109.6W31 F32 F33 L67 I68 D69 W114 A118 L122W31-I59 HydrophobicContact CE3-CG2 4.4Å; F32-I59 WeakPolarHBondContact O-CA 3.3Å; F33-I59 HydrophobicContact CD1-CD1 4.04Å; F33-I59 HydrophobicContact CD1-CG1 3.8Å; F33-I59 HydrophobicContact CD2-CG2 4.34Å; F33-I59 HydrophobicContact CE1-CD1 3.33Å; F33-I59 HydrophobicContact CE1-CG1 3.64Å; F33-I59 HydrophobicContact CE2-CD1 4.43Å; F33-I59 HydrophobicContact CE2-CG2 4.08Å; F33-I59 HydrophobicContact CG-CG1 4.35Å; F33-I59 HydrophobicContact CZ-CD1 3.57Å; F33-I59 HydrophobicContact CZ-CG1 4.07Å; F33-I59 HydrophobicContact CZ-CG2 4.22Å; I59-L67 WeakPolarHBondContact O-CA 3.49Å; I59-I68 HydrophobicContact CB-CD1 4.13Å; I59-I68 HydrophobicContact CB-CG1 3.91Å; I59-I68 HydrophobicContact CG2-CD1 3.7Å; I59-I68 HydrophobicContact CG2-CG1 3.87Å; I59-I68 VanDerWaalsContact O-CG1 3.3Å; I59-I68 WeakPolarHBondContact O-CG1 3Å; I59-I68 PolarHBondContact O-N 2.76Å; I59-D69 HydrophobicContact CD1-CB 4.06Å; I59-D69 HydrophobicContact CG1-CB 4.46Å; I59-D69 PolarHBondContact N-O 2.85Å; I59-W114 HydrophobicContact CD1-CH2 3.7Å; I59-W114 HydrophobicContact CD1-CZ2 3.65Å; I59-W114 HydrophobicContact CG1-CH2 3.69Å; I59-W114 HydrophobicContact CG1-CZ2 3.88Å; I59-A118 HydrophobicContact CD1-CB 3.75Å; I59-L122 HydrophobicContact CD1-CD1 3.95Å; I59-L122 HydrophobicContact CG2-CD1 3.98Å
60L97.6Very high96.8Very high2 Ų228.5 Ų28.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-96.7129.2173.1178.569000110.6F32 I34 L67 L218 L219F32-L60 HydrophobicContact CB-CB 4.35Å; F32-L60 PolarHBondContact N-O 2.87Å; F32-L60 PolarHBondContact O-N 3.41Å; I34-L60 HydrophobicContact CD1-CB 3.54Å; I34-L60 HydrophobicContact CD1-CD2 4.48Å; L60-L67 HydrophobicContact CB-CD2 4Å; L60-L67 HydrophobicContact CD1-CD2 4.17Å; L60-L218 HydrophobicContact CD2-CD2 3.93Å; L60-L218 HydrophobicContact CD2-CG 4.21Å; L60-L219 HydrophobicContact CD2-CB 4.43Å
61D95Very high96.9Very high4 Ų428.1 Ų28.12%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-82.7113.6161.6-169.2-17.9000109.7R30 W31 V63 T64 G65 T66 I68R30-D61 WeakPolarHBondContact CG-OD1 3.43Å; R30-D61 IonicContact CZ-OD1 2.69Å; R30-D61 IonicContact CZ-OD2 2.64Å; R30-D61 VanDerWaalsContact CZ-OD2 3.3Å; R30-D61 VanDerWaalsContact NE-CG 3.35Å; R30-D61 IonicContact NE-OD1 2.98Å; R30-D61 PolarHBondContact NE-OD1 2.89Å; R30-D61 IonicContact NE-OD2 2.73Å; R30-D61 PolarHBondContact NE-OD2 3.48Å; R30-D61 VanDerWaalsContact NE-OD2 3.14Å; R30-D61 IonicContact NH2-OD1 3.74Å; R30-D61 IonicContact NH2-OD2 2.67Å; R30-D61 PolarHBondContact NH2-OD2 3.24Å; W31-D61 HydrophobicContact CE3-CB 4.08Å; W31-D61 HydrophobicContact CH2-CB 4.44Å; W31-D61 HydrophobicContact CZ3-CB 3.54Å; W31-D61 VanDerWaalsContact CZ3-CG 3.49Å; D61-V63 PolarHBondContact O-N 2.91Å; D61-V63 WeakPolarHBondContact OD1-CB 3.49Å; D61-V63 PolarHBondContact OD1-N 2.86Å; D61-T64 VanDerWaalsContact CB-OG1 3.28Å; D61-T64 WeakPolarHBondContact CB-OG1 3.4Å; D61-T64 PolarHBondContact OD2-OG1 3.4Å; D61-G65 VanDerWaalsContact O-CA 3.28Å; D61-G65 WeakPolarHBondContact O-CA 3.5Å; D61-G65 PolarHBondContact O-N 2.76Å; D61-T66 PolarHBondContact N-O 3.43Å; D61-I68 HydrophobicContact CB-CG2 4.22Å
62S91.3Very high96.9Very high25 Ų2532.5 Ų32.518%0.17519%0.19CC..THydrogen-bonded Turntrans-71.8-11.8178.458.30000114.9R30R30-S62 WeakPolarHBondContact CA-OG 3.47Å; R30-S62 WeakPolarHBondContact O-CB 3.32Å; R30-S62 PolarHBondContact O-N 3.46Å; R30-S62 PolarHBondContact O-OG 2.86Å
63V90.1Very high96.9Very high104 Ų10433.3 Ų33.363%0.6320%0.196SC*.THydrogen-bonded Turntrans-87.1-45.1178.5176.80000111.3R30 D61R30-V63 HydrophobicContact CG-CG2 4.07Å; D61-V63 PolarHBondContact O-N 2.91Å; D61-V63 WeakPolarHBondContact OD1-CB 3.49Å; D61-V63 PolarHBondContact OD1-N 2.86Å
64T93.1Very high97Very high80 Ų8036 Ų3649%0.49121%0.207SC..THydrogen-bonded Turntrans-91.8-18.5179.760.60000113D61 T66D61-T64 VanDerWaalsContact CB-OG1 3.28Å; D61-T64 WeakPolarHBondContact CB-OG1 3.4Å; D61-T64 PolarHBondContact OD2-OG1 3.4Å; T64-T66 PolarHBondContact O-N 2.76Å; T64-T66 PolarHBondContact OG1-N 3.27Å; T64-T66 PolarHBondContact OG1-OG1 2.93Å
65G94.1Very high97Very high25 Ų2536 Ų3626%0.25821%0.207SC..  trans73.79.7-172.300000114.3D61D61-G65 VanDerWaalsContact O-CA 3.28Å; D61-G65 WeakPolarHBondContact O-CA 3.5Å; D61-G65 PolarHBondContact O-N 2.76Å
66T96.8Very high97Very high67 Ų6739.7 Ų39.741%0.41122%0.224SC..  trans-95.5141.5-175.658.70000112.1D61 T64D61-T66 PolarHBondContact N-O 3.43Å; T64-T66 PolarHBondContact O-N 2.76Å; T64-T66 PolarHBondContact OG1-N 3.27Å; T64-T66 PolarHBondContact OG1-OG1 2.93Å
67L98.1Very high96.9Very high71 Ų7139.8 Ų39.837%0.37222%0.224SC..EExtended strand (participates in β ladder)trans-72.8128.6160.2-65.7-179000109V58 I59 L60 R212V58-L67 HydrophobicContact CB-CD1 4.38Å; V58-L67 HydrophobicContact CB-CD2 4.02Å; V58-L67 HydrophobicContact CG2-CD1 4.44Å; V58-L67 HydrophobicContact CG2-CD2 3.85Å; I59-L67 WeakPolarHBondContact O-CA 3.49Å; L60-L67 HydrophobicContact CB-CD2 4Å; L60-L67 HydrophobicContact CD1-CD2 4.17Å; L67-R212 HydrophobicContact CD1-CB 4.45Å; L67-R212 HydrophobicContact CD1-CG 3.82Å
68I97.4Very high96.9Very high68 Ų6843.2 Ų43.235%0.34925%0.245SC..EExtended strand (participates in β ladder)trans-114.3-23.3-169.850141.6000114.3W31 I59 D61 L122W31-I68 HydrophobicContact CE3-CD1 3.69Å; W31-I68 HydrophobicContact CE3-CG1 4.49Å; W31-I68 HydrophobicContact CH2-CD1 4.15Å; W31-I68 HydrophobicContact CZ3-CD1 3.35Å; W31-I68 HydrophobicContact CZ3-CG1 4.14Å; I59-I68 HydrophobicContact CB-CD1 4.13Å; I59-I68 HydrophobicContact CB-CG1 3.91Å; I59-I68 HydrophobicContact CG2-CD1 3.7Å; I59-I68 HydrophobicContact CG2-CG1 3.87Å; I59-I68 VanDerWaalsContact O-CG1 3.3Å; I59-I68 WeakPolarHBondContact O-CG1 3Å; I59-I68 PolarHBondContact O-N 2.76Å; D61-I68 HydrophobicContact CB-CG2 4.22Å; I68-L122 HydrophobicContact CD1-CD1 3.57Å; I68-L122 HydrophobicContact CD1-CD2 3.28Å; I68-L122 HydrophobicContact CD1-CG 4.05Å
69D98Very high96.7Very high67 Ų6746.8 Ų46.836%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-160.1165173.1-167.314.4000109.7I59 W114I59-D69 HydrophobicContact CD1-CB 4.06Å; I59-D69 HydrophobicContact CG1-CB 4.46Å; I59-D69 PolarHBondContact N-O 2.85Å; D69-W114 HydrophobicContact CB-CZ2 4.5Å; D69-W114 PolarHBondContact OD2-NE1 3.38Å
70S98.4Very high96.6Very high57 Ų5748 Ų4840%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-151.3139.9175.159.50000113.1V57V57-S70 CarbonylContact O-C 3.38Å; V57-S70 WeakPolarHBondContact O-CA 3.28Å
71F98.7Very high96.5Very high20 Ų2051.1 Ų51.19%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-97.8141.7162.5-177.4-95.5000109.7F55 P56 V57 V107 K110 F111 W114F55-F71 HydrophobicContact CB-CE1 4.44Å; F55-F71 AromaticContact CD1-CD1 3.91Å; F55-F71 HydrophobicContact CD1-CD1 3.91Å; F55-F71 AromaticContact CD1-CE1 3.72Å; F55-F71 HydrophobicContact CD1-CE1 3.72Å; F55-F71 HydrophobicContact CE1-CD1 4.46Å; F55-F71 HydrophobicContact CE1-CE1 4.36Å; F55-F71 HydrophobicContact CG-CE1 4.31Å; F55-F71 WeakPolarHBondContact O-CD1 3.18Å; F55-F71 WeakPolarHBondContact O-CE1 3.5Å; P56-F71 CarbonylContact C-O 3.54Å; P56-F71 VanDerWaalsContact CA-O 3.29Å; P56-F71 WeakPolarHBondContact CA-O 3.44Å; V57-F71 HydrophobicContact CB-CB 4.36Å; V57-F71 PolarHBondContact N-O 3.12Å; V57-F71 PolarHBondContact O-N 3.32Å; F71-V107 HydrophobicContact CE1-CG1 4.21Å; F71-V107 HydrophobicContact CZ-CG1 4.24Å; F71-K110 HydrophobicContact CE2-CB 4.11Å; F71-K110 HydrophobicContact CZ-CB 4.22Å; F71-F111 AromaticContact CD1-CD2 3.92Å; F71-F111 HydrophobicContact CD1-CD2 3.92Å; F71-F111 HydrophobicContact CD2-CD2 4.47Å; F71-F111 HydrophobicContact CE1-CB 4.04Å; F71-F111 HydrophobicContact CE1-CD2 4.17Å; F71-F111 HydrophobicContact CE2-CB 4.2Å; F71-F111 HydrophobicContact CG-CD2 4.08Å; F71-F111 HydrophobicContact CZ-CB 3.81Å; F71-W114 HydrophobicContact CB-CD2 3.67Å; F71-W114 HydrophobicContact CB-CE3 3.74Å; F71-W114 HydrophobicContact CB-CG 4.24Å; F71-W114 HydrophobicContact CB-CH2 4.07Å; F71-W114 HydrophobicContact CB-CZ2 4.01Å; F71-W114 HydrophobicContact CB-CZ3 3.96Å; F71-W114 HydrophobicContact CD2-CB 3.88Å; F71-W114 HydrophobicContact CD2-CD2 4.12Å; F71-W114 HydrophobicContact CD2-CE3 4.41Å; F71-W114 AromaticContact CD2-CG 3.88Å; F71-W114 HydrophobicContact CD2-CG 3.88Å; F71-W114 HydrophobicContact CE2-CB 4.4Å; F71-W114 HydrophobicContact CG-CD2 4.28Å; F71-W114 HydrophobicContact CG-CE3 4.29Å; F71-W114 HydrophobicContact CG-CG 4.5Å
72Q98.5Very high96.6Very high91 Ų9158.4 Ų58.443%0.42532%0.323SS..EExtended strand (participates in β ladder)trans-149.1136.5166.9-168.4-178.212.700109E54 F55 P56 I208E54-Q72 PolarHBondContact OE1-NE2 2.8Å; F55-Q72 WeakPolarHBondContact O-CA 3.4Å; P56-Q72 HydrophobicContact CB-CG 4.31Å; Q72-I208 HydrophobicContact CB-CD1 4.49Å; Q72-I208 HydrophobicContact CG-CB 4.35Å
73S98.7Very high96.9Very high17 Ų1758.2 Ų58.212%0.11932%0.32CS..EExtended strand (participates in β ladder)trans-147.8134168.3-170.70000109.3F55F55-S73 PolarHBondContact N-O 3.5Å; F55-S73 PolarHBondContact O-N 2.71Å
74F98.8Very high97.2Very high56 Ų5654.5 Ų54.525%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-64.7154.8154.8-63.8-55000109.8I53 E54 I93 D97 A101 R206I53-F74 CarbonylContact O-C 3.55Å; I53-F74 VanDerWaalsContact O-CA 3.3Å; I53-F74 WeakPolarHBondContact O-CA 3.31Å; E54-F74 HydrophobicContact CB-CD1 4.25Å; E54-F74 HydrophobicContact CB-CE1 4.43Å; E54-F74 HydrophobicContact CG-CD1 4.14Å; E54-F74 HydrophobicContact CG-CE1 4.07Å; F74-I93 HydrophobicContact CE1-CD1 4.49Å; F74-I93 HydrophobicContact CE1-CG1 4.13Å; F74-D97 WeakPolarHBondContact CB-O 3.45Å; F74-D97 HydrophobicContact CD1-CB 4.38Å; F74-D97 HydrophobicContact CD2-CB 3.86Å; F74-D97 HydrophobicContact CE1-CB 4.48Å; F74-D97 HydrophobicContact CE2-CB 3.94Å; F74-D97 HydrophobicContact CG-CB 4.1Å; F74-D97 HydrophobicContact CZ-CB 4.27Å; F74-A101 HydrophobicContact CB-CB 3.92Å; F74-R206 VanDerWaalsContact CE1-NH1 3.31Å
75V98.8Very high97.4Very high0 Ų056.1 Ų56.10%031%0.308CS..  trans-131.2132.6-175.3-169.90000108.2I52 I53 F55 P77 P102 L104 V107I52-V75 HydrophobicContact CG2-CB 4.42Å; I52-V75 HydrophobicContact CG2-CG2 3.85Å; I52-V75 VanDerWaalsContact O-CB 3.28Å; I52-V75 WeakPolarHBondContact O-CB 3.44Å; I52-V75 WeakPolarHBondContact O-CG1 3.5Å; I53-V75 PolarHBondContact O-N 3.32Å; F55-V75 HydrophobicContact CB-CG2 3.88Å; V75-P77 VanDerWaalsContact O-CD 3.31Å; V75-P77 WeakPolarHBondContact O-CD 3.48Å; V75-P102 WeakPolarHBondContact CA-O 3.45Å; V75-L104 HydrophobicContact CG1-CB 3.84Å; V75-L104 HydrophobicContact CG1-CD1 4.28Å; V75-V107 HydrophobicContact CB-CG2 4.4Å; V75-V107 HydrophobicContact CG1-CG2 4.18Å; V75-V107 HydrophobicContact CG2-CB 4.43Å; V75-V107 HydrophobicContact CG2-CG1 4.12Å; V75-V107 HydrophobicContact CG2-CG2 3.98Å
76K98.7Very high97.5Very high79 Ų7958.3 Ų58.334%0.34331%0.31SS..BIsolated β-bridgetrans-82.4115.7178.4-178.3162.9-172161.20110.5V98 E99 A101 P102 T103K76-V98 WeakPolarHBondContact CA-O 3.39Å; K76-V98 VanDerWaalsContact CB-O 3.3Å; K76-V98 WeakPolarHBondContact CB-O 3.35Å; K76-V98 WeakPolarHBondContact CG-O 3.37Å; K76-E99 WeakPolarHBondContact CD-O 3.32Å; K76-E99 WeakPolarHBondContact CE-O 3.43Å; K76-E99 PolarHBondContact NZ-O 3.44Å; K76-A101 HydrophobicContact CB-CB 4.13Å; K76-A101 VanDerWaalsContact CB-O 3.31Å; K76-A101 WeakPolarHBondContact CB-O 3.13Å; K76-P102 PolarHBondContact N-O 2.75Å; K76-T103 HydrophobicContact CB-CG2 4.46Å
77P98.3Very high97.5Very high2 Ų255.1 Ų55.11%0.01329%0.291CS..  trans-67.8148.1170.227.2-28.1000109.8T40 E51 I53 V75T40-P77 HydrophobicContact CG2-CB 3.88Å; T40-P77 HydrophobicContact CG2-CG 4.06Å; E51-P77 HydrophobicContact CB-CB 4.01Å; E51-P77 HydrophobicContact CG-CB 4.5Å; E51-P77 WeakPolarHBondContact OE2-CB 3.27Å; I53-P77 HydrophobicContact CG2-CB 4.38Å; I53-P77 HydrophobicContact CG2-CG 4.01Å; V75-P77 VanDerWaalsContact O-CD 3.31Å; V75-P77 WeakPolarHBondContact O-CD 3.48Å
78T97.4Very high97.4Very high71 Ų7152.7 Ų52.744%0.43628%0.279SS..SBendtrans-128.5-18.2-171.853.80000113.2E51 T103 K154E51-T78 PolarHBondContact OE1-N 2.87Å; E51-T78 PolarHBondContact OE1-OG1 3.17Å; T78-T103 HydrophobicContact CG2-CG2 3.88Å; T78-K154 VanDerWaalsContact OG1-CE 3.27Å; T78-K154 WeakPolarHBondContact OG1-CE 3.38Å; T78-K154 PolarHBondContact OG1-NZ 3.28Å
79E95.8Very high97.4Very high76 Ų7655 Ų5536%0.35529%0.292SS..SBendtrans-95.1-36.2175.3-64.6167.8-148.500110.5P49 E51 R153 K154P49-E79 VanDerWaalsContact CG-OE2 3.25Å; P49-E79 WeakPolarHBondContact CG-OE2 3.42Å; E51-E79 VanDerWaalsContact CD-N 3.35Å; E51-E79 PolarHBondContact OE1-N 3.42Å; E51-E79 WeakPolarHBondContact OE2-CA 3.18Å; E51-E79 WeakPolarHBondContact OE2-CB 3.25Å; E51-E79 PolarHBondContact OE2-N 2.99Å; E79-R153 IonicContact OE1-NH1 3.24Å; E79-R153 PolarHBondContact OE1-NH1 2.93Å; E79-R153 IonicContact OE2-CZ 3.99Å; E79-R153 IonicContact OE2-NE 2.64Å; E79-R153 IonicContact OE2-NH1 2.84Å; E79-R153 PolarHBondContact OE2-NH1 3.19Å; E79-K154 WeakPolarHBondContact OE1-CE 3.24Å; E79-K154 WeakPolarHBondContact OE1-CG 3.24Å
80N95.1Very high97.4Very high26 Ų2654.6 Ų54.614%0.13929%0.29CS..SBendtrans-130.180.3171-58.7-92.3000110F42 K48 E51 E82F42-N80 HydrophobicContact CE2-CB 4.28Å; F42-N80 HydrophobicContact CZ-CB 3.71Å; K48-N80 WeakPolarHBondContact CD-OD1 3.4Å; E51-N80 PolarHBondContact OE2-N 3.07Å; N80-E82 VanDerWaalsContact C-N 3.28Å; N80-E82 PolarHBondContact O-N 3.45Å
81P96.5Very high97.3Very high68 Ų6852 Ų5244%0.44227%0.272SS..  trans-67.4-21.2-171.9-23.836.1000115.8Q95P81-Q95 PolarHBondContact O-NE2 2.92Å
82E96.8Very high97.3Very high157 Ų15751.5 Ų51.573%0.73427%0.273SS*.SBendtrans-93121.2178.5-66.3177.1-17700110N80N80-E82 VanDerWaalsContact C-N 3.28Å; N80-E82 PolarHBondContact O-N 3.45Å
83L97.3Very high97.2Very high21 Ų2147.2 Ų47.211%0.1125%0.253CS..PPolyproline II helixtrans-69.2136.6173.3-59.2-176.2000109.9T40 I53 I93 V98T40-L83 HydrophobicContact CG2-CD2 4.01Å; I53-L83 HydrophobicContact CD1-CD2 4.04Å; I53-L83 HydrophobicContact CG2-CD2 4.12Å; L83-I93 HydrophobicContact CD1-CB 4.44Å; L83-I93 HydrophobicContact CD1-CG2 3.92Å; L83-V98 HydrophobicContact CD1-CG1 4.22Å; L83-V98 HydrophobicContact CD1-CG2 3.77Å; L83-V98 HydrophobicContact CD2-CG2 4.14Å; L83-V98 HydrophobicContact CG-CG2 3.83Å
84S96.3Very high97.2Very high25 Ų2551 Ų5118%0.17527%0.269CS..PPolyproline II helixtrans-69.3151.417077.30000110.5C41 F86 C87 S88C41-S84 PolarHBondContact O-OG 3.29Å; S84-F86 PolarHBondContact O-N 2.84Å; S84-C87 WeakPolarHBondContact O-CB 3.43Å; S84-C87 PolarHBondContact O-N 2.96Å; S84-C87 VanDerWaalsContact OG-CB 3.3Å; S84-C87 WeakPolarHBondContact OG-CB 3.39Å; S84-C87 PolarHBondContact OG-N 2.98Å; S84-S88 PolarHBondContact O-N 2.67Å
85V96.3Very high97.2Very high114 Ų11451.4 Ų51.469%0.69127%0.271SS*.Hα-helixtrans-56.1-37.2173176.40000110.9N89V85-N89 VanDerWaalsContact O-CB 3.27Å; V85-N89 WeakPolarHBondContact O-CB 3.04Å; V85-N89 PolarHBondContact O-N 2.96Å; V85-N89 PolarHBondContact O-ND2 3.3Å
86F96.2Very high97.1Very high72 Ų7254.6 Ų54.632%0.31629%0.293SS..Hα-helixtrans-58.4-49.1172.4177.4-90.7000112C41 E43 S84 N89 L90C41-F86 HydrophobicContact CB-CD1 4.47Å; C41-F86 HydrophobicContact CB-CE1 4.37Å; E43-F86 HydrophobicContact CB-CB 4.15Å; E43-F86 HydrophobicContact CB-CD2 3.89Å; E43-F86 HydrophobicContact CB-CE2 4.45Å; E43-F86 HydrophobicContact CB-CG 3.93Å; E43-F86 HydrophobicContact CG-CD2 4.03Å; E43-F86 HydrophobicContact CG-CE2 4.3Å; E43-F86 WeakPolarHBondContact OE2-CD2 3.46Å; S84-F86 PolarHBondContact O-N 2.84Å; F86-N89 PolarHBondContact O-N 3.05Å; F86-L90 HydrophobicContact CE1-CD2 3.92Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 VanDerWaalsContact O-CB 3.26Å; F86-L90 WeakPolarHBondContact O-CB 3.22Å; F86-L90 PolarHBondContact O-N 3.41Å
87C96.8Very high97.1Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-62.1-46179.9-179.80000112.2C41 I53 S84 L90 T91C41-C87 VanDerWaalsContact SG-CB 3.58Å; I53-C87 VanDerWaalsContact CD1-SG 3.6Å; S84-C87 WeakPolarHBondContact O-CB 3.43Å; S84-C87 PolarHBondContact O-N 2.96Å; S84-C87 VanDerWaalsContact OG-CB 3.3Å; S84-C87 WeakPolarHBondContact OG-CB 3.39Å; S84-C87 PolarHBondContact OG-N 2.98Å; C87-L90 PolarHBondContact O-N 2.67Å; C87-T91 WeakPolarHBondContact O-CB 3.39Å; C87-T91 WeakPolarHBondContact O-CG2 3.07Å; C87-T91 PolarHBondContact O-N 3.31Å; C87-T91 PolarHBondContact O-OG1 2.91Å
88S97.4Very high97.1Very high19 Ų1953 Ų5313%0.13329%0.288CS..Hα-helixtrans-68.9-33.5177.3-71.70000113.2S84 G92 I93S84-S88 PolarHBondContact O-N 2.67Å; S88-G92 WeakPolarHBondContact O-CA 3.29Å; S88-G92 PolarHBondContact O-N 3.36Å; S88-I93 WeakPolarHBondContact CA-O 3.08Å; S88-I93 VanDerWaalsContact CB-O 3.23Å; S88-I93 WeakPolarHBondContact CB-O 3.41Å; S88-I93 PolarHBondContact OG-O 3.35Å
89N97.3Very high97.1Very high116 Ų11653.8 Ų53.862%0.6229%0.286SS*.Hα-helixtrans-69.4-43.7172.5-75.4-19.8000111.9V85 F86 R203V85-N89 VanDerWaalsContact O-CB 3.27Å; V85-N89 WeakPolarHBondContact O-CB 3.04Å; V85-N89 PolarHBondContact O-N 2.96Å; V85-N89 PolarHBondContact O-ND2 3.3Å; F86-N89 PolarHBondContact O-N 3.05Å; N89-R203 PolarHBondContact O-NH2 2.72Å
90L96.8Very high97Very high60 Ų6056.1 Ų56.131%0.31430%0.302SS..Hα-helixtrans-63.2-56.8178.9-177.264000110.2F86 C87 R203 H205F86-L90 HydrophobicContact CE1-CD2 3.92Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 VanDerWaalsContact O-CB 3.26Å; F86-L90 WeakPolarHBondContact O-CB 3.22Å; F86-L90 PolarHBondContact O-N 3.41Å; C87-L90 PolarHBondContact O-N 2.67Å; L90-R203 PolarHBondContact O-NH1 3.14Å; L90-R203 PolarHBondContact O-NH2 2.9Å; L90-H205 VanDerWaalsContact CD1-CD2 3.48Å; L90-H205 WeakPolarHBondContact CD1-CD2 3.4Å; L90-H205 HydrophobicContact CG-CB 4.27Å; L90-H205 WeakPolarHBondContact O-CB 3.4Å
91T97.3Very high97.2Very high1 Ų155.6 Ų55.61%0.00630%0.301CS..Hα-helixtrans-87.7-22.7-170.6660000114.8E38 C87 I93 R203 H205E38-T91 HydrophobicContact CB-CG2 4.22Å; E38-T91 HydrophobicContact CG-CG2 4.36Å; E38-T91 WeakPolarHBondContact OE2-CG2 3.14Å; C87-T91 WeakPolarHBondContact O-CB 3.39Å; C87-T91 WeakPolarHBondContact O-CG2 3.07Å; C87-T91 PolarHBondContact O-N 3.31Å; C87-T91 PolarHBondContact O-OG1 2.91Å; T91-I93 HydrophobicContact CG2-CD1 4.46Å; T91-I93 PolarHBondContact O-N 2.68Å; T91-I93 WeakPolarHBondContact OG1-CB 3.48Å; T91-I93 PolarHBondContact OG1-N 2.99Å; T91-I93 VanDerWaalsContact OG1-N 3.12Å; T91-R203 VanDerWaalsContact C-CZ 3.44Å; T91-R203 PolarHBondContact O-NH1 2.82Å; T91-R203 VanDerWaalsContact O-NH1 3.13Å; T91-H205 CarbonylContact C-O 3.56Å; T91-H205 WeakPolarHBondContact CA-O 3.41Å; T91-H205 WeakPolarHBondContact CB-O 3.28Å
92G97.5Very high97.3Very high11 Ų1154 Ų5411%0.11329%0.29CS..  trans73.32.1-170.500000113.9S88 Q94 R203 R206S88-G92 WeakPolarHBondContact O-CA 3.29Å; S88-G92 PolarHBondContact O-N 3.36Å; G92-Q94 PolarHBondContact O-NE2 2.79Å; G92-R203 VanDerWaalsContact N-CZ 3.31Å; G92-R203 VanDerWaalsContact N-NH2 3.19Å; G92-R206 PolarHBondContact O-NH2 3.38Å
93I98.1Very high97.4Very high0 Ų048.9 Ų48.90%027%0.27CS..  trans-74.1123.5173.5-60.9166.7000108.3E38 I53 E54 F74 L83 S88 T91 D97 V98E38-I93 HydrophobicContact CB-CD1 3.66Å; E38-I93 HydrophobicContact CG-CD1 4.05Å; I53-I93 HydrophobicContact CB-CD1 4.44Å; I53-I93 HydrophobicContact CD1-CB 4.41Å; I53-I93 HydrophobicContact CD1-CD1 3.59Å; I53-I93 HydrophobicContact CD1-CG2 4.43Å; I53-I93 HydrophobicContact CG1-CD1 3.66Å; E54-I93 HydrophobicContact CB-CD1 3.96Å; F74-I93 HydrophobicContact CE1-CD1 4.49Å; F74-I93 HydrophobicContact CE1-CG1 4.13Å; L83-I93 HydrophobicContact CD1-CB 4.44Å; L83-I93 HydrophobicContact CD1-CG2 3.92Å; S88-I93 WeakPolarHBondContact CA-O 3.08Å; S88-I93 VanDerWaalsContact CB-O 3.23Å; S88-I93 WeakPolarHBondContact CB-O 3.41Å; S88-I93 PolarHBondContact OG-O 3.35Å; T91-I93 HydrophobicContact CG2-CD1 4.46Å; T91-I93 PolarHBondContact O-N 2.68Å; T91-I93 WeakPolarHBondContact OG1-CB 3.48Å; T91-I93 PolarHBondContact OG1-N 2.99Å; T91-I93 VanDerWaalsContact OG1-N 3.12Å; I93-D97 HydrophobicContact CG2-CB 3.92Å; I93-V98 HydrophobicContact CG2-CG1 3.63Å
94Q97.8Very high97.4Very high98 Ų9848 Ų4846%0.45827%0.265SS..  trans-90.2157.6178-56-51.2-60.200110.7G92 C96 D97G92-Q94 PolarHBondContact O-NE2 2.79Å; Q94-C96 PolarHBondContact O-N 3.04Å; Q94-C96 VanDerWaalsContact O-N 3.16Å; Q94-D97 PolarHBondContact N-OD2 3.38Å; Q94-D97 VanDerWaalsContact O-CB 3.31Å; Q94-D97 WeakPolarHBondContact O-CB 3.46Å; Q94-D97 PolarHBondContact O-N 3.03Å
95Q98.4Very high97.5Very high64 Ų6448.2 Ų48.230%0.29927%0.268SS..Hα-helixtrans-55.5-36.3178-172.86142.100112.4P81 D97 V98 E99P81-Q95 PolarHBondContact O-NE2 2.92Å; Q95-D97 VanDerWaalsContact C-N 3.28Å; Q95-D97 PolarHBondContact O-N 3.19Å; Q95-V98 WeakPolarHBondContact O-CG2 3.48Å; Q95-V98 PolarHBondContact O-N 2.95Å; Q95-E99 WeakPolarHBondContact O-CB 3.21Å; Q95-E99 PolarHBondContact O-N 2.77Å
96C97.7Very high97.6Very high67 Ų6744.9 Ų44.945%0.45325%0.248SC..Hα-helixtrans-66-25.2177.858.30000114.5Q94 E99 N100Q94-C96 PolarHBondContact O-N 3.04Å; Q94-C96 VanDerWaalsContact O-N 3.16Å; C96-E99 WeakPolarHBondContact CA-OE1 3.36Å; C96-N100 PolarHBondContact O-ND2 2.96Å
97D97.7Very high97.7Very high47 Ų4741.5 Ų41.525%0.25123%0.233SC..Hα-helixtrans-69.7-38.1176.5-61.5-33.6000110.8F74 I93 Q94 Q95F74-D97 WeakPolarHBondContact CB-O 3.45Å; F74-D97 HydrophobicContact CD1-CB 4.38Å; F74-D97 HydrophobicContact CD2-CB 3.86Å; F74-D97 HydrophobicContact CE1-CB 4.48Å; F74-D97 HydrophobicContact CE2-CB 3.94Å; F74-D97 HydrophobicContact CG-CB 4.1Å; F74-D97 HydrophobicContact CZ-CB 4.27Å; I93-D97 HydrophobicContact CG2-CB 3.92Å; Q94-D97 PolarHBondContact N-OD2 3.38Å; Q94-D97 VanDerWaalsContact O-CB 3.31Å; Q94-D97 WeakPolarHBondContact O-CB 3.46Å; Q94-D97 PolarHBondContact O-N 3.03Å; Q95-D97 VanDerWaalsContact C-N 3.28Å; Q95-D97 PolarHBondContact O-N 3.19Å
98V98.3Very high97.8Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-95.9-30-175.8-61.20000114I53 K76 L83 I93 Q95 N100 A101I53-V98 HydrophobicContact CB-CG1 3.91Å; I53-V98 HydrophobicContact CG2-CG1 4.18Å; K76-V98 WeakPolarHBondContact CA-O 3.39Å; K76-V98 VanDerWaalsContact CB-O 3.3Å; K76-V98 WeakPolarHBondContact CB-O 3.35Å; K76-V98 WeakPolarHBondContact CG-O 3.37Å; L83-V98 HydrophobicContact CD1-CG1 4.22Å; L83-V98 HydrophobicContact CD1-CG2 3.77Å; L83-V98 HydrophobicContact CD2-CG2 4.14Å; L83-V98 HydrophobicContact CG-CG2 3.83Å; I93-V98 HydrophobicContact CG2-CG1 3.63Å; Q95-V98 WeakPolarHBondContact O-CG2 3.48Å; Q95-V98 PolarHBondContact O-N 2.95Å; V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 3.41Å; V98-A101 WeakPolarHBondContact O-CB 3.12Å; V98-A101 PolarHBondContact O-N 2.93Å
99E97.1Very high97.8Very high87 Ų8748.3 Ų48.341%0.40726%0.257SS..Hα-helixtrans-66.1-32.7-178.378.5-169.8175.200112.1K76 Q95 C96K76-E99 WeakPolarHBondContact CD-O 3.32Å; K76-E99 WeakPolarHBondContact CE-O 3.43Å; K76-E99 PolarHBondContact NZ-O 3.44Å; Q95-E99 WeakPolarHBondContact O-CB 3.21Å; Q95-E99 PolarHBondContact O-N 2.77Å; C96-E99 WeakPolarHBondContact CA-OE1 3.36Å
100N94.9Very high97.9Very high126 Ų12647.9 Ų47.967%0.67425%0.25SC*.THydrogen-bonded Turntrans-94.3-4.3179.5-62.6-63.6000112.3C96 V98C96-N100 PolarHBondContact O-ND2 2.96Å; V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 3.41Å
101A98.4Very high98Very high15 Ų1545 Ų4512%0.12424%0.235CC..SBendtrans-72.5155.3-177.800000113F74 K76 V98F74-A101 HydrophobicContact CB-CB 3.92Å; K76-A101 HydrophobicContact CB-CB 4.13Å; K76-A101 VanDerWaalsContact CB-O 3.31Å; K76-A101 WeakPolarHBondContact CB-O 3.13Å; V98-A101 WeakPolarHBondContact O-CB 3.12Å; V98-A101 PolarHBondContact O-N 2.93Å
102P98.5Very high98Very high33 Ų3351.4 Ų51.421%0.21427%0.265CS..PPolyproline II helixtrans-62146.8162.827.3-35.6000111.8V75 K76 V106 V107V75-P102 WeakPolarHBondContact CA-O 3.45Å; K76-P102 PolarHBondContact N-O 2.75Å; P102-V106 HydrophobicContact CB-CB 3.81Å; P102-V106 HydrophobicContact CB-CG1 3.62Å; P102-V107 HydrophobicContact CB-CG2 3.97Å; P102-V107 HydrophobicContact CG-CG2 3.56Å
103T98.6Very high98Very high51 Ų5156.5 Ų56.531%0.31329%0.285SS..BIsolated β-bridgetrans-67.4158.9170.360.60000111.5K76 T78 A105 V106 V107K76-T103 HydrophobicContact CB-CG2 4.46Å; T78-T103 HydrophobicContact CG2-CG2 3.88Å; T103-A105 PolarHBondContact O-N 3.23Å; T103-A105 VanDerWaalsContact O-N 3.09Å; T103-V106 WeakPolarHBondContact O-CA 3.41Å; T103-V106 WeakPolarHBondContact O-CB 3.34Å; T103-V106 PolarHBondContact O-N 2.87Å; T103-V107 PolarHBondContact O-N 3.41Å
104L98.6Very high98Very high2 Ų258 Ų581%0.0129%0.291CS..Hα-helixtrans-50.7-40.2-180-178.162.5000112.6I52 F55 V75 V106 V107 L108 L147 E150 L156I52-L104 HydrophobicContact CD1-CD1 4.21Å; I52-L104 HydrophobicContact CD1-CD2 4.47Å; F55-L104 HydrophobicContact CD2-CD1 4.2Å; F55-L104 HydrophobicContact CE2-CD1 4.42Å; V75-L104 HydrophobicContact CG1-CB 3.84Å; V75-L104 HydrophobicContact CG1-CD1 4.28Å; L104-V106 VanDerWaalsContact C-N 3.25Å; L104-V106 PolarHBondContact O-N 2.82Å; L104-V107 PolarHBondContact O-N 2.72Å; L104-V107 VanDerWaalsContact O-N 3.1Å; L104-L108 HydrophobicContact CD1-CD1 4.28Å; L104-L108 HydrophobicContact CD1-CD2 4.15Å; L104-L108 HydrophobicContact CD1-CG 3.88Å; L104-L108 HydrophobicContact CD2-CD1 4.37Å; L104-L108 HydrophobicContact CG-CD1 3.92Å; L104-L108 HydrophobicContact CG-CG 4.02Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.1Å; L104-L147 HydrophobicContact CD2-CD1 4.49Å; L104-E150 HydrophobicContact CD2-CB 4.24Å; L104-E150 HydrophobicContact CD2-CG 3.79Å; L104-E150 VanDerWaalsContact CD2-OE1 3.25Å; L104-E150 WeakPolarHBondContact CD2-OE1 3.43Å; L104-L156 HydrophobicContact CB-CD1 4.17Å; L104-L156 HydrophobicContact CD2-CD1 3.93Å; L104-L156 HydrophobicContact CG-CD1 3.97Å
105A98.3Very high98Very high29 Ų2953.6 Ų53.624%0.2427%0.27CS..Hα-helixtrans-57.4-3517700000113.8T103 R109 L156T103-A105 PolarHBondContact O-N 3.23Å; T103-A105 VanDerWaalsContact O-N 3.09Å; A105-R109 PolarHBondContact O-NH1 2.73Å; A105-L156 HydrophobicContact CB-CD1 4.23Å; A105-L156 HydrophobicContact CB-CD2 3.62Å
106V98.5Very high97.8Very high45 Ų4555 Ų5527%0.27327%0.273SS..Hα-helixtrans-79.3-39.8175.6175.80000110.5P102 T103 L104 R109 K110P102-V106 HydrophobicContact CB-CB 3.81Å; P102-V106 HydrophobicContact CB-CG1 3.62Å; T103-V106 WeakPolarHBondContact O-CA 3.41Å; T103-V106 WeakPolarHBondContact O-CB 3.34Å; T103-V106 PolarHBondContact O-N 2.87Å; L104-V106 VanDerWaalsContact C-N 3.25Å; L104-V106 PolarHBondContact O-N 2.82Å; V106-R109 PolarHBondContact O-N 3.39Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.4Å
107V98.6Very high97.8Very high0 Ų056.5 Ų56.50%027%0.272CS..Hα-helixtrans-61.7-45.8178.2176.40000111.2F55 F71 V75 P102 T103 L104 R109 K110 F111F55-V107 HydrophobicContact CB-CG1 3.9Å; F55-V107 HydrophobicContact CD2-CG1 4.05Å; F55-V107 HydrophobicContact CG-CG1 3.99Å; F71-V107 HydrophobicContact CE1-CG1 4.21Å; F71-V107 HydrophobicContact CZ-CG1 4.24Å; V75-V107 HydrophobicContact CB-CG2 4.4Å; V75-V107 HydrophobicContact CG1-CG2 4.18Å; V75-V107 HydrophobicContact CG2-CB 4.43Å; V75-V107 HydrophobicContact CG2-CG1 4.12Å; V75-V107 HydrophobicContact CG2-CG2 3.98Å; P102-V107 HydrophobicContact CB-CG2 3.97Å; P102-V107 HydrophobicContact CG-CG2 3.56Å; T103-V107 PolarHBondContact O-N 3.41Å; L104-V107 PolarHBondContact O-N 2.72Å; L104-V107 VanDerWaalsContact O-N 3.1Å; V107-R109 VanDerWaalsContact C-N 3.3Å; V107-R109 PolarHBondContact O-N 3.06Å; V107-K110 WeakPolarHBondContact O-CB 3.44Å; V107-K110 PolarHBondContact O-N 3.42Å; V107-K110 VanDerWaalsContact O-N 3.12Å; V107-F111 WeakPolarHBondContact O-CB 3.3Å; V107-F111 PolarHBondContact O-N 3.06Å
108L98.3Very high97.8Very high11 Ų1154.4 Ų54.46%0.05826%0.261CS..Hα-helixtrans-58.7-38.9176.9-68.9173.9000112.4F55 L104 F111 E112 L147 L156 P159F55-L108 HydrophobicContact CE2-CD2 3.84Å; F55-L108 HydrophobicContact CZ-CD2 4.29Å; L104-L108 HydrophobicContact CD1-CD1 4.28Å; L104-L108 HydrophobicContact CD1-CD2 4.15Å; L104-L108 HydrophobicContact CD1-CG 3.88Å; L104-L108 HydrophobicContact CD2-CD1 4.37Å; L104-L108 HydrophobicContact CG-CD1 3.92Å; L104-L108 HydrophobicContact CG-CG 4.02Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.1Å; L108-F111 PolarHBondContact O-N 3.13Å; L108-E112 WeakPolarHBondContact O-CB 3.33Å; L108-E112 PolarHBondContact O-N 3.02Å; L108-L147 HydrophobicContact CD2-CD1 4.13Å; L108-L156 HydrophobicContact CD1-CB 4.15Å; L108-L156 HydrophobicContact CD1-CD1 4.09Å; L108-P159 HydrophobicContact CD2-CG 3.8Å
109R98Very high97.7Very high151 Ų15157 Ų5757%0.5727%0.272SS*.Hα-helixtrans-69.2-39.3174.9-66.5-168.4-56.2-91.713.8112.8A105 V106 V107 F111 H113A105-R109 PolarHBondContact O-NH1 2.73Å; V106-R109 PolarHBondContact O-N 3.39Å; V107-R109 VanDerWaalsContact C-N 3.3Å; V107-R109 PolarHBondContact O-N 3.06Å; R109-F111 VanDerWaalsContact C-N 3.34Å; R109-H113 WeakPolarHBondContact O-CB 3.42Å; R109-H113 PolarHBondContact O-N 3.01Å; R109-H113 VanDerWaalsContact O-N 3.13Å
110K98.3Very high97.6Very high108 Ų10858.2 Ų58.247%0.4728%0.278SS..Hα-helixtrans-62.9-44173.3-71.8-179.8176.2-174.60110.7F71 V106 V107 H113 W114F71-K110 HydrophobicContact CE2-CB 4.11Å; F71-K110 HydrophobicContact CZ-CB 4.22Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.4Å; V107-K110 WeakPolarHBondContact O-CB 3.44Å; V107-K110 PolarHBondContact O-N 3.42Å; V107-K110 VanDerWaalsContact O-N 3.12Å; K110-H113 PolarHBondContact O-N 3.5Å; K110-W114 PolarHBondContact O-N 3.45Å
111F98.3Very high97.6Very high0 Ų058.6 Ų58.60%028%0.28CS..Hα-helixtrans-62.8-48.3177.9173.6-105.5000111.8F55 V57 F71 V107 L108 R109 H113 W114 L115 F135 P159 M162F55-F111 HydrophobicContact CD1-CD2 4.41Å; F55-F111 HydrophobicContact CE1-CB 4.34Å; F55-F111 HydrophobicContact CE1-CD1 4.21Å; F55-F111 AromaticContact CE1-CD2 3.63Å; F55-F111 HydrophobicContact CE1-CD2 3.63Å; F55-F111 AromaticContact CE1-CE2 3.98Å; F55-F111 HydrophobicContact CE1-CE2 3.98Å; F55-F111 AromaticContact CE1-CG 3.76Å; F55-F111 HydrophobicContact CE1-CG 3.76Å; F55-F111 HydrophobicContact CE1-CZ 4.42Å; F55-F111 HydrophobicContact CZ-CD1 4.07Å; F55-F111 HydrophobicContact CZ-CD2 4.31Å; F55-F111 HydrophobicContact CZ-CE1 4.43Å; F55-F111 HydrophobicContact CZ-CG 4.01Å; V57-F111 HydrophobicContact CB-CE2 4.41Å; V57-F111 HydrophobicContact CG2-CD2 4.3Å; V57-F111 HydrophobicContact CG2-CE2 3.64Å; V57-F111 HydrophobicContact CG2-CZ 4.38Å; F71-F111 AromaticContact CD1-CD2 3.92Å; F71-F111 HydrophobicContact CD1-CD2 3.92Å; F71-F111 HydrophobicContact CD2-CD2 4.47Å; F71-F111 HydrophobicContact CE1-CB 4.04Å; F71-F111 HydrophobicContact CE1-CD2 4.17Å; F71-F111 HydrophobicContact CE2-CB 4.2Å; F71-F111 HydrophobicContact CG-CD2 4.08Å; F71-F111 HydrophobicContact CZ-CB 3.81Å; V107-F111 WeakPolarHBondContact O-CB 3.3Å; V107-F111 PolarHBondContact O-N 3.06Å; L108-F111 PolarHBondContact O-N 3.13Å; R109-F111 VanDerWaalsContact C-N 3.34Å; F111-H113 VanDerWaalsContact C-N 3.32Å; F111-H113 PolarHBondContact O-N 2.75Å; F111-W114 AromaticContact CD2-CE3 3.93Å; F111-W114 HydrophobicContact CD2-CE3 3.93Å; F111-W114 HydrophobicContact CD2-CZ3 4.27Å; F111-W114 AromaticContact CE2-CE3 3.74Å; F111-W114 HydrophobicContact CE2-CE3 3.74Å; F111-W114 AromaticContact CE2-CZ3 3.65Å; F111-W114 HydrophobicContact CE2-CZ3 3.65Å; F111-W114 PolarHBondContact O-N 3.31Å; F111-L115 HydrophobicContact CE1-CB 4.47Å; F111-L115 HydrophobicContact CE1-CD2 3.85Å; F111-L115 HydrophobicContact CZ-CB 4.24Å; F111-L115 HydrophobicContact CZ-CD1 4.28Å; F111-L115 HydrophobicContact CZ-CD2 3.86Å; F111-L115 HydrophobicContact CZ-CG 4.36Å; F111-L115 VanDerWaalsContact O-CB 3.26Å; F111-L115 WeakPolarHBondContact O-CB 3.4Å; F111-L115 PolarHBondContact O-N 3.42Å; F111-F135 HydrophobicContact CZ-CE1 4.1Å; F111-F135 AromaticContact CZ-CZ 3.9Å; F111-F135 HydrophobicContact CZ-CZ 3.9Å; F111-P159 HydrophobicContact CD1-CG 4.39Å; F111-P159 HydrophobicContact CE1-CB 4.25Å; F111-P159 HydrophobicContact CE1-CG 4.43Å; F111-M162 HydrophobicContact CD1-CE 4.46Å; F111-M162 HydrophobicContact CE1-CE 3.65Å; F111-M162 HydrophobicContact CE1-CG 4.46Å; F111-M162 HydrophobicContact CE1-SD 4.11Å; F111-M162 HydrophobicContact CE2-CE 4.22Å; F111-M162 HydrophobicContact CZ-CE 3.52Å; F111-M162 HydrophobicContact CZ-SD 4.49Å
112E97.3Very high97.4Very high135 Ų13559.5 Ų59.563%0.63128%0.282SS*.Hα-helixtrans-59.1-42.5176.8-176.6-179.4-167.700111.9L108 L115 R116L108-E112 WeakPolarHBondContact O-CB 3.33Å; L108-E112 PolarHBondContact O-N 3.02Å; E112-L115 PolarHBondContact O-N 3.17Å; E112-R116 WeakPolarHBondContact O-CB 3.14Å; E112-R116 PolarHBondContact O-N 3.49Å
113H97.6Very high97.2Very high118 Ų11859.7 Ų59.755%0.54629%0.291SS..Hα-helixtrans-64.3-41.9176-179.291.3000112.7R109 K110 F111 R116 K117R109-H113 WeakPolarHBondContact O-CB 3.42Å; R109-H113 PolarHBondContact O-N 3.01Å; R109-H113 VanDerWaalsContact O-N 3.13Å; K110-H113 PolarHBondContact O-N 3.5Å; F111-H113 VanDerWaalsContact C-N 3.32Å; F111-H113 PolarHBondContact O-N 2.75Å; H113-R116 PolarHBondContact CE1-NH2 3.3Å; H113-R116 PolarHBondContact ND1-NH2 2.95Å; H113-K117 PolarHBondContact O-N 2.91Å
114W98.3Very high96.9Very high31 Ų3157.8 Ų57.812%0.11728%0.279CS..Hα-helixtrans-64.3-49.4173.5170.982.1000111.3F33 V57 I59 D69 F71 K110 F111 R116 K117 A118F33-W114 HydrophobicContact CD1-CH2 4.03Å; F33-W114 HydrophobicContact CD1-CZ3 4.14Å; F33-W114 AromaticContact CE1-CH2 3.97Å; F33-W114 HydrophobicContact CE1-CH2 3.97Å; F33-W114 HydrophobicContact CE1-CZ3 4.1Å; V57-W114 HydrophobicContact CB-CH2 4.14Å; V57-W114 HydrophobicContact CB-CZ3 4.19Å; V57-W114 HydrophobicContact CG1-CH2 4.08Å; V57-W114 HydrophobicContact CG1-CZ3 4.23Å; I59-W114 HydrophobicContact CD1-CH2 3.7Å; I59-W114 HydrophobicContact CD1-CZ2 3.65Å; I59-W114 HydrophobicContact CG1-CH2 3.69Å; I59-W114 HydrophobicContact CG1-CZ2 3.88Å; D69-W114 HydrophobicContact CB-CZ2 4.5Å; D69-W114 PolarHBondContact OD2-NE1 3.38Å; F71-W114 HydrophobicContact CB-CD2 3.67Å; F71-W114 HydrophobicContact CB-CE3 3.74Å; F71-W114 HydrophobicContact CB-CG 4.24Å; F71-W114 HydrophobicContact CB-CH2 4.07Å; F71-W114 HydrophobicContact CB-CZ2 4.01Å; F71-W114 HydrophobicContact CB-CZ3 3.96Å; F71-W114 HydrophobicContact CD2-CB 3.88Å; F71-W114 HydrophobicContact CD2-CD2 4.12Å; F71-W114 HydrophobicContact CD2-CE3 4.41Å; F71-W114 AromaticContact CD2-CG 3.88Å; F71-W114 HydrophobicContact CD2-CG 3.88Å; F71-W114 HydrophobicContact CE2-CB 4.4Å; F71-W114 HydrophobicContact CG-CD2 4.28Å; F71-W114 HydrophobicContact CG-CE3 4.29Å; F71-W114 HydrophobicContact CG-CG 4.5Å; K110-W114 PolarHBondContact O-N 3.45Å; F111-W114 AromaticContact CD2-CE3 3.93Å; F111-W114 HydrophobicContact CD2-CE3 3.93Å; F111-W114 HydrophobicContact CD2-CZ3 4.27Å; F111-W114 AromaticContact CE2-CE3 3.74Å; F111-W114 HydrophobicContact CE2-CE3 3.74Å; F111-W114 AromaticContact CE2-CZ3 3.65Å; F111-W114 HydrophobicContact CE2-CZ3 3.65Å; F111-W114 PolarHBondContact O-N 3.31Å; W114-R116 VanDerWaalsContact C-N 3.27Å; W114-R116 PolarHBondContact O-N 3.46Å; W114-K117 CarbonylContact O-C 3.59Å; W114-K117 WeakPolarHBondContact O-CB 3.26Å; W114-K117 PolarHBondContact O-N 3.07Å; W114-A118 PolarHBondContact O-N 3.42Å
115L97.3Very high96.6Very high5 Ų559.2 Ų59.23%0.02629%0.29CS..Hα-helixtrans-59.6-37.6-178.9-175.163.9000111.8F33 F111 E112 K119 F126 F135 D161F33-L115 HydrophobicContact CD1-CD1 3.79Å; F33-L115 HydrophobicContact CE1-CD1 3.42Å; F33-L115 VanDerWaalsContact CE1-CD1 3.42Å; F33-L115 HydrophobicContact CZ-CD1 4.17Å; F111-L115 HydrophobicContact CE1-CB 4.47Å; F111-L115 HydrophobicContact CE1-CD2 3.85Å; F111-L115 HydrophobicContact CZ-CB 4.24Å; F111-L115 HydrophobicContact CZ-CD1 4.28Å; F111-L115 HydrophobicContact CZ-CD2 3.86Å; F111-L115 HydrophobicContact CZ-CG 4.36Å; F111-L115 VanDerWaalsContact O-CB 3.26Å; F111-L115 WeakPolarHBondContact O-CB 3.4Å; F111-L115 PolarHBondContact O-N 3.42Å; E112-L115 PolarHBondContact O-N 3.17Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 WeakPolarHBondContact O-CE 3.24Å; L115-K119 WeakPolarHBondContact O-CG 3.43Å; L115-K119 PolarHBondContact O-N 2.84Å; L115-F126 HydrophobicContact CD1-CE2 3.8Å; L115-F126 HydrophobicContact CD1-CZ 3.93Å; L115-F126 HydrophobicContact CD2-CE2 4.32Å; L115-F126 HydrophobicContact CG-CE2 4.28Å; L115-F135 HydrophobicContact CD1-CZ 4.01Å; L115-F135 HydrophobicContact CD2-CZ 4.17Å; L115-D161 HydrophobicContact CD2-CB 3.98Å
116R96.2Very high96.1Very high95 Ų9558.2 Ų58.236%0.35828%0.28SS..Hα-helixtrans-62.9-49.2173-174.6-177.856.770.38111.5E112 H113 W114 A118 K119 E120E112-R116 WeakPolarHBondContact O-CB 3.14Å; E112-R116 PolarHBondContact O-N 3.49Å; H113-R116 PolarHBondContact CE1-NH2 3.3Å; H113-R116 PolarHBondContact ND1-NH2 2.95Å; W114-R116 VanDerWaalsContact C-N 3.27Å; W114-R116 PolarHBondContact O-N 3.46Å; R116-A118 PolarHBondContact O-N 3Å; R116-K119 PolarHBondContact O-N 2.82Å; R116-E120 VanDerWaalsContact CG-OE1 3.29Å; R116-E120 WeakPolarHBondContact CG-OE1 3.35Å; R116-E120 IonicContact CZ-OE1 3.73Å; R116-E120 IonicContact NH1-OE1 3.81Å; R116-E120 PolarHBondContact NH1-OE1 3.04Å; R116-E120 IonicContact NH1-OE2 3.34Å; R116-E120 PolarHBondContact NH1-OE2 3.17Å; R116-E120 VanDerWaalsContact O-CG 3.32Å; R116-E120 WeakPolarHBondContact O-CG 3.42Å; R116-E120 PolarHBondContact O-N 2.95Å
117K97.6Very high95.2Very high98 Ų9863.3 Ų63.343%0.42630%0.298SS..Hα-helixtrans-61.8-40.6176.1-75179.8168.7175.70112.5H113 W114 E120 N121H113-K117 PolarHBondContact O-N 2.91Å; W114-K117 CarbonylContact O-C 3.59Å; W114-K117 WeakPolarHBondContact O-CB 3.26Å; W114-K117 PolarHBondContact O-N 3.07Å; K117-E120 PolarHBondContact O-N 2.86Å; K117-N121 WeakPolarHBondContact O-CB 3.41Å; K117-N121 PolarHBondContact O-N 2.79Å; K117-N121 PolarHBondContact O-ND2 3.19Å
118A97.1Very high93.6Very high3 Ų364 Ų643%0.02531%0.305CS..Hα-helixtrans-60.9-47.6175.500000111F33 I59 W114 R116 E120 N121 L122F33-A118 HydrophobicContact CE1-CB 4.25Å; F33-A118 HydrophobicContact CZ-CB 4.38Å; I59-A118 HydrophobicContact CD1-CB 3.75Å; W114-A118 PolarHBondContact O-N 3.42Å; R116-A118 PolarHBondContact O-N 3Å; A118-E120 VanDerWaalsContact C-N 3.35Å; A118-E120 PolarHBondContact O-N 3.18Å; A118-N121 PolarHBondContact O-N 3.16Å; A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.39Å; A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 3.28Å
119K94.9Very high92.2Very high53 Ų5370.4 Ų70.423%0.2334%0.335CS..Hα-helixtrans-59.2-42.5174.6-76.3-179.7-67.5-167.20113.1L115 R116 G123 C124 F126 D161L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 WeakPolarHBondContact O-CE 3.24Å; L115-K119 WeakPolarHBondContact O-CG 3.43Å; L115-K119 PolarHBondContact O-N 2.84Å; R116-K119 PolarHBondContact O-N 2.82Å; K119-G123 PolarHBondContact O-N 3.48Å; K119-C124 WeakPolarHBondContact CB-O 3.37Å; K119-C124 PolarHBondContact O-N 3.05Å; K119-C124 VanDerWaalsContact O-N 3.11Å; K119-F126 HydrophobicContact CD-CD2 3.89Å; K119-F126 HydrophobicContact CD-CE2 3.79Å; K119-F126 HydrophobicContact CG-CE2 4.08Å; K119-D161 IonicContact NZ-OD2 3.97Å; K119-D161 PolarHBondContact NZ-OD2 3.41Å
120E95.1Very high91Very high113 Ų11367.5 Ų67.553%0.52834%0.336SS..Hα-helixtrans-60.9-51176.2-74162.7-174.800111.1R116 K117 A118 L122 G123R116-E120 VanDerWaalsContact CG-OE1 3.29Å; R116-E120 WeakPolarHBondContact CG-OE1 3.35Å; R116-E120 IonicContact CZ-OE1 3.73Å; R116-E120 IonicContact NH1-OE1 3.81Å; R116-E120 PolarHBondContact NH1-OE1 3.04Å; R116-E120 IonicContact NH1-OE2 3.34Å; R116-E120 PolarHBondContact NH1-OE2 3.17Å; R116-E120 VanDerWaalsContact O-CG 3.32Å; R116-E120 WeakPolarHBondContact O-CG 3.42Å; R116-E120 PolarHBondContact O-N 2.95Å; K117-E120 PolarHBondContact O-N 2.86Å; A118-E120 VanDerWaalsContact C-N 3.35Å; A118-E120 PolarHBondContact O-N 3.18Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 2.9Å; E120-G123 PolarHBondContact O-N 2.89Å
121N96.1Very high90.2Very high134 Ų13464.1 Ų64.172%0.71732%0.324SS*.Hα-helixtrans-64.6-33.9-179.8-69.8-12.9000113.5K117 A118K117-N121 WeakPolarHBondContact O-CB 3.41Å; K117-N121 PolarHBondContact O-N 2.79Å; K117-N121 PolarHBondContact O-ND2 3.19Å; A118-N121 PolarHBondContact O-N 3.16Å
122L94.6Very high89.7Confident34 Ų3464.1 Ų64.118%0.17832%0.324CS..Hα-helixtrans-96.2-2.4-174.9-59.5176.8000114W31 F33 I59 I68 A118 E120 C124W31-L122 HydrophobicContact CD2-CB 4.36Å; W31-L122 HydrophobicContact CD2-CD1 4.15Å; W31-L122 HydrophobicContact CE3-CD1 4.25Å; W31-L122 HydrophobicContact CE3-CD2 4.4Å; W31-L122 HydrophobicContact CG-CD1 4.46Å; W31-L122 HydrophobicContact CH2-CD2 3.79Å; W31-L122 HydrophobicContact CZ2-CB 4.14Å; W31-L122 HydrophobicContact CZ2-CD2 3.91Å; W31-L122 HydrophobicContact CZ3-CD2 4.03Å; W31-L122 PolarHBondContact NE1-O 3.23Å; F33-L122 HydrophobicContact CZ-CD1 4.42Å; I59-L122 HydrophobicContact CD1-CD1 3.95Å; I59-L122 HydrophobicContact CG2-CD1 3.98Å; I68-L122 HydrophobicContact CD1-CD1 3.57Å; I68-L122 HydrophobicContact CD1-CD2 3.28Å; I68-L122 HydrophobicContact CD1-CG 4.05Å; A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.39Å; A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 3.28Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 2.9Å; L122-C124 VanDerWaalsContact C-N 3.28Å; L122-C124 HydrophobicContact CB-CB 4.31Å; L122-C124 PolarHBondContact O-N 2.64Å
123G93.8Very high89.5Confident38 Ų3857.7 Ų57.739%0.39229%0.294SS..THydrogen-bonded Turntrans54.743.1-176.100000112.4K119 E120 P130 T131K119-G123 PolarHBondContact O-N 3.48Å; E120-G123 PolarHBondContact O-N 2.89Å; G123-P130 WeakPolarHBondContact O-CG 3.23Å; G123-T131 WeakPolarHBondContact O-CB 3.34Å; G123-T131 PolarHBondContact O-OG1 3.47Å
124C92.3Very high89.3Confident11 Ų1152.1 Ų52.17%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-128.3157.4-168.577.60000116.2W31 K119 L122 T131 A133W31-C124 HydrophobicContact CG-CB 4.32Å; K119-C124 WeakPolarHBondContact CB-O 3.37Å; K119-C124 PolarHBondContact O-N 3.05Å; K119-C124 VanDerWaalsContact O-N 3.11Å; L122-C124 VanDerWaalsContact C-N 3.28Å; L122-C124 HydrophobicContact CB-CB 4.31Å; L122-C124 PolarHBondContact O-N 2.64Å; C124-T131 CarbonylContact C-O 3.58Å; C124-T131 WeakPolarHBondContact CA-O 3.22Å; C124-T131 WeakPolarHBondContact CB-O 3.27Å; C124-A133 HydrophobicContact CB-CB 4.29Å
125S90.9Very high89.2Confident32 Ų3250.7 Ų50.722%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-141.4139.7-176178.20000112.5K127 Q129 T131 S132 A133S125-K127 PolarHBondContact O-N 2.9Å; S125-K127 PolarHBondContact OG-N 3.07Å; S125-Q129 WeakPolarHBondContact CB-O 3.38Å; S125-T131 PolarHBondContact N-O 3.36Å; S125-S132 WeakPolarHBondContact O-CA 3.44Å; S125-A133 PolarHBondContact O-N 3.4Å
126F89.3Confident89.1Confident7 Ų750.4 Ų50.43%0.03126%0.261CS..THydrogen-bonded Turntrans-78.50.5169.2-61.1-81.7000113.2L25 F33 L115 K119 A133 F135 D161L25-F126 WeakPolarHBondContact CD2-O 3.46Å; F33-F126 HydrophobicContact CD1-CZ 4.17Å; F33-F126 AromaticContact CD2-CE1 3.89Å; F33-F126 HydrophobicContact CD2-CE1 3.89Å; F33-F126 AromaticContact CD2-CZ 3.66Å; F33-F126 HydrophobicContact CD2-CZ 3.66Å; F33-F126 HydrophobicContact CE1-CZ 4.23Å; F33-F126 HydrophobicContact CE2-CE1 4.28Å; F33-F126 AromaticContact CE2-CZ 3.73Å; F33-F126 HydrophobicContact CE2-CZ 3.73Å; F33-F126 HydrophobicContact CG-CE1 4.26Å; F33-F126 AromaticContact CG-CZ 3.9Å; F33-F126 HydrophobicContact CG-CZ 3.9Å; F33-F126 HydrophobicContact CZ-CZ 4.02Å; L115-F126 HydrophobicContact CD1-CE2 3.8Å; L115-F126 HydrophobicContact CD1-CZ 3.93Å; L115-F126 HydrophobicContact CD2-CE2 4.32Å; L115-F126 HydrophobicContact CG-CE2 4.28Å; K119-F126 HydrophobicContact CD-CD2 3.89Å; K119-F126 HydrophobicContact CD-CE2 3.79Å; K119-F126 HydrophobicContact CG-CE2 4.08Å; F126-A133 HydrophobicContact CD1-CB 3.91Å; F126-A133 WeakPolarHBondContact CD1-O 3.13Å; F126-A133 HydrophobicContact CE1-CB 3.66Å; F126-A133 HydrophobicContact CE2-CB 4.46Å; F126-A133 HydrophobicContact CG-CB 4.41Å; F126-A133 HydrophobicContact CZ-CB 3.96Å; F126-F135 AromaticContact CD1-CD2 3.97Å; F126-F135 HydrophobicContact CD1-CD2 3.97Å; F126-F135 AromaticContact CD1-CE2 3.99Å; F126-F135 HydrophobicContact CD1-CE2 3.99Å; F126-F135 AromaticContact CE1-CD2 3.49Å; F126-F135 HydrophobicContact CE1-CD2 3.49Å; F126-F135 VanDerWaalsContact CE1-CD2 3.49Å; F126-F135 AromaticContact CE1-CE2 3.34Å; F126-F135 HydrophobicContact CE1-CE2 3.34Å; F126-F135 HydrophobicContact CE1-CG 4.45Å; F126-F135 HydrophobicContact CE1-CZ 4.2Å; F126-F135 HydrophobicContact CE2-CE2 4.02Å; F126-F135 HydrophobicContact CZ-CD2 4.03Å; F126-F135 AromaticContact CZ-CE2 3.37Å; F126-F135 HydrophobicContact CZ-CE2 3.37Å; F126-F135 AromaticContact CZ-CZ 3.89Å; F126-F135 HydrophobicContact CZ-CZ 3.89Å; F126-D161 HydrophobicContact CB-CB 4.35Å; F126-D161 HydrophobicContact CD2-CB 3.58Å; F126-D161 VanDerWaalsContact CD2-CG 3.44Å; F126-D161 HydrophobicContact CE2-CB 4.02Å; F126-D161 HydrophobicContact CG-CB 3.95Å
127K80.2Confident89.2Confident153 Ų15345.9 Ų45.967%0.66524%0.244SC*.THydrogen-bonded Turntrans-111.97.2178.5-60.7-179.1-178177.20113.1S24 S125S24-K127 WeakPolarHBondContact CB-O 3.06Å; S24-K127 PolarHBondContact OG-O 2.85Å; S125-K127 PolarHBondContact O-N 2.9Å; S125-K127 PolarHBondContact OG-N 3.07Å
128G64.9Low89.1Confident14 Ų1442.2 Ų42.214%0.14423%0.228CC..  trans81.1141.9-178.200000113.9S24S24-G128 WeakPolarHBondContact O-CA 3.41Å
129Q67.2Low89Confident146 Ų14644 Ų4468%0.68224%0.238SC*.SBendtrans68.5143.4-176.3-54.5-161.16.600117.1S125S125-Q129 WeakPolarHBondContact CB-O 3.38Å
130P73.2Confident88.9Confident90 Ų9042.3 Ų42.358%0.58423%0.232SC*.SBendcis-71.9-40.9-9.629-31.2000111.3N28 G123N28-P130 WeakPolarHBondContact CB-O 3.04Å; N28-P130 PolarHBondContact ND2-O 3.31Å; G123-P130 WeakPolarHBondContact O-CG 3.23Å
131T82.1Confident88.9Confident37 Ų3741.7 Ų41.723%0.22723%0.225CC..EExtended strand (participates in β ladder)trans-107.6134.5169.5-43.50000109.5N28 R30 G123 C124 S125N28-T131 WeakPolarHBondContact O-CG2 3.42Å; R30-T131 HydrophobicContact CB-CG2 3.53Å; G123-T131 WeakPolarHBondContact O-CB 3.34Å; G123-T131 PolarHBondContact O-OG1 3.47Å; C124-T131 CarbonylContact C-O 3.58Å; C124-T131 WeakPolarHBondContact CA-O 3.22Å; C124-T131 WeakPolarHBondContact CB-O 3.27Å; S125-T131 PolarHBondContact N-O 3.36Å
132S88.5Confident88.9Confident0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-90.4146.6-179.3-56.40000111L25 N27 N28 R30 W31 S125L25-S132 WeakPolarHBondContact O-CB 3.28Å; L25-S132 PolarHBondContact O-OG 2.73Å; N27-S132 PolarHBondContact O-OG 3.03Å; N28-S132 PolarHBondContact O-N 3.05Å; R30-S132 PolarHBondContact N-O 2.81Å; W31-S132 PolarHBondContact N-O 3.14Å; S125-S132 WeakPolarHBondContact O-CA 3.44Å
133A92.2Very high88.8Confident0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-126.3154.7174.200000110.7L25 W31 F33 C124 S125 F126L25-A133 VanDerWaalsContact CD2-O 3.32Å; L25-A133 WeakPolarHBondContact CD2-O 3.32Å; W31-A133 HydrophobicContact CB-CB 4.04Å; W31-A133 VanDerWaalsContact O-CA 3.29Å; W31-A133 WeakPolarHBondContact O-CA 3.33Å; F33-A133 HydrophobicContact CD2-CB 4.15Å; F33-A133 HydrophobicContact CE2-CB 3.78Å; C124-A133 HydrophobicContact CB-CB 4.29Å; S125-A133 PolarHBondContact O-N 3.4Å; F126-A133 HydrophobicContact CD1-CB 3.91Å; F126-A133 WeakPolarHBondContact CD1-O 3.13Å; F126-A133 HydrophobicContact CE1-CB 3.66Å; F126-A133 HydrophobicContact CE2-CB 4.46Å; F126-A133 HydrophobicContact CG-CB 4.41Å; F126-A133 HydrophobicContact CZ-CB 3.96Å
134I93Very high88.8Confident1 Ų134.1 Ų34.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-146.2151.5174.7-159.6164.2000112.1I5 F14 L29 W31 F32 F33 V136 I166I5-I134 HydrophobicContact CD1-CD1 4.39Å; I5-I134 HydrophobicContact CG1-CD1 4.41Å; F14-I134 HydrophobicContact CD2-CD1 4Å; F14-I134 HydrophobicContact CE2-CD1 3.32Å; F14-I134 HydrophobicContact CZ-CD1 4.09Å; L29-I134 HydrophobicContact CD1-CB 3.8Å; L29-I134 HydrophobicContact CD1-CG2 3.78Å; L29-I134 HydrophobicContact CD2-CG2 4.1Å; L29-I134 HydrophobicContact CG-CG2 4.46Å; W31-I134 PolarHBondContact O-N 3.3Å; F32-I134 HydrophobicContact CD1-CG2 3.54Å; F32-I134 HydrophobicContact CE1-CG2 3.8Å; F32-I134 HydrophobicContact CG-CG2 4.36Å; F33-I134 PolarHBondContact N-O 3.24Å; I134-V136 HydrophobicContact CG2-CG2 4.37Å; I134-I166 HydrophobicContact CD1-CD1 3.9Å; I134-I166 HydrophobicContact CD1-CG1 3.88Å; I134-I166 HydrophobicContact CG2-CD1 4.14Å
135F95.8Very high88.8Confident0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-81.8148.8168.2-77.8-86000112.3F33 L35 V57 F111 L115 F126 D161 M162 R165 I166F33-F135 HydrophobicContact CB-CD1 3.61Å; F33-F135 HydrophobicContact CB-CE1 3.59Å; F33-F135 HydrophobicContact CB-CG 4.15Å; F33-F135 HydrophobicContact CB-CZ 4.11Å; F33-F135 HydrophobicContact CD1-CE1 4.33Å; F33-F135 HydrophobicContact CD1-CZ 4.31Å; F33-F135 HydrophobicContact CG-CE1 4.29Å; F33-F135 HydrophobicContact CG-CZ 4.38Å; F33-F135 CarbonylContact O-C 3.5Å; F33-F135 VanDerWaalsContact O-CA 3.27Å; F33-F135 WeakPolarHBondContact O-CA 3.29Å; F33-F135 WeakPolarHBondContact O-CD1 3.25Å; L35-F135 HydrophobicContact CD2-CD1 3.76Å; L35-F135 HydrophobicContact CD2-CE1 4.2Å; V57-F135 HydrophobicContact CG1-CE1 4.23Å; F111-F135 HydrophobicContact CZ-CE1 4.1Å; F111-F135 AromaticContact CZ-CZ 3.9Å; F111-F135 HydrophobicContact CZ-CZ 3.9Å; L115-F135 HydrophobicContact CD1-CZ 4.01Å; L115-F135 HydrophobicContact CD2-CZ 4.17Å; F126-F135 AromaticContact CD1-CD2 3.97Å; F126-F135 HydrophobicContact CD1-CD2 3.97Å; F126-F135 AromaticContact CD1-CE2 3.99Å; F126-F135 HydrophobicContact CD1-CE2 3.99Å; F126-F135 AromaticContact CE1-CD2 3.49Å; F126-F135 HydrophobicContact CE1-CD2 3.49Å; F126-F135 VanDerWaalsContact CE1-CD2 3.49Å; F126-F135 AromaticContact CE1-CE2 3.34Å; F126-F135 HydrophobicContact CE1-CE2 3.34Å; F126-F135 HydrophobicContact CE1-CG 4.45Å; F126-F135 HydrophobicContact CE1-CZ 4.2Å; F126-F135 HydrophobicContact CE2-CE2 4.02Å; F126-F135 HydrophobicContact CZ-CD2 4.03Å; F126-F135 AromaticContact CZ-CE2 3.37Å; F126-F135 HydrophobicContact CZ-CE2 3.37Å; F126-F135 AromaticContact CZ-CZ 3.89Å; F126-F135 HydrophobicContact CZ-CZ 3.89Å; F135-D161 VanDerWaalsContact CD2-O 3.28Å; F135-D161 WeakPolarHBondContact CD2-O 3.47Å; F135-D161 HydrophobicContact CE2-CB 4.04Å; F135-M162 HydrophobicContact CD1-CE 4.41Å; F135-M162 HydrophobicContact CD1-CG 4.17Å; F135-M162 HydrophobicContact CD2-CB 4.41Å; F135-M162 HydrophobicContact CD2-CG 4.11Å; F135-M162 HydrophobicContact CE1-CE 3.9Å; F135-M162 HydrophobicContact CE1-CG 3.92Å; F135-M162 HydrophobicContact CE2-CG 3.86Å; F135-M162 HydrophobicContact CG-CG 4.25Å; F135-M162 HydrophobicContact CZ-CE 4.39Å; F135-M162 HydrophobicContact CZ-CG 3.77Å; F135-R165 HydrophobicContact CB-CB 3.79Å; F135-R165 CarbonylContact O-C 3.47Å; F135-R165 VanDerWaalsContact O-CA 3.23Å; F135-R165 WeakPolarHBondContact O-CA 3.38Å; F135-R165 WeakPolarHBondContact O-CB 3.46Å; F135-I166 PolarHBondContact O-N 2.88Å
136V96.3Very high89Confident0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-134.9136.9174.6-1720000108.7F32 F33 I34 L35 I134 I166 L168 L218F32-V136 HydrophobicContact CB-CG2 4.2Å; F32-V136 HydrophobicContact CD1-CG2 3.69Å; F32-V136 HydrophobicContact CG-CG2 4.44Å; F33-V136 PolarHBondContact O-N 2.93Å; I34-V136 WeakPolarHBondContact CA-O 3.2Å; I34-V136 HydrophobicContact CG1-CB 4.08Å; I34-V136 HydrophobicContact CG1-CG2 4.47Å; L35-V136 PolarHBondContact N-O 3.4Å; I134-V136 HydrophobicContact CG2-CG2 4.37Å; V136-I166 WeakPolarHBondContact CA-O 3.28Å; V136-I166 HydrophobicContact CG1-CB 4.42Å; V136-I166 HydrophobicContact CG1-CG2 4.27Å; V136-I166 HydrophobicContact CG2-CB 4.34Å; V136-L168 HydrophobicContact CG1-CB 3.95Å; V136-L168 HydrophobicContact CG1-CD1 4.44Å; V136-L218 HydrophobicContact CG2-CD2 4.07Å
137T97.2Very high89.3Confident0 Ų034.4 Ų34.40%018%0.18CC..EExtended strand (participates in β ladder)trans-123159.7171.760.30000109.2L35 T139 D142 I143 I166 L168L35-T137 HydrophobicContact CD1-CG2 3.63Å; L35-T137 HydrophobicContact CG-CG2 3.93Å; T137-T139 VanDerWaalsContact C-N 3.35Å; T137-T139 WeakPolarHBondContact CB-O 3.28Å; T137-T139 VanDerWaalsContact OG1-C 3.24Å; T137-T139 PolarHBondContact OG1-O 3.34Å; T137-D142 HydrophobicContact CG2-CB 4.06Å; T137-I143 HydrophobicContact CG2-CD1 4.13Å; T137-I166 PolarHBondContact N-O 2.82Å; T137-L168 WeakPolarHBondContact O-CB 3.38Å; T137-L168 PolarHBondContact O-N 2.73Å
138W96.8Very high90.1Very high21 Ų2131.6 Ų31.68%0.0817%0.165CC..SBendtrans-67.1-40.9169.8175.3-128.6000110.7L168 K169 F172 W185 L189 A192 L217W138-L168 HydrophobicContact CE3-CB 4.24Å; W138-K169 HydrophobicContact CD2-CB 4.02Å; W138-K169 HydrophobicContact CE3-CB 3.91Å; W138-K169 HydrophobicContact CH2-CB 3.77Å; W138-K169 HydrophobicContact CH2-CD 4.41Å; W138-K169 HydrophobicContact CH2-CG 3.84Å; W138-K169 HydrophobicContact CZ2-CB 3.89Å; W138-K169 HydrophobicContact CZ2-CD 3.79Å; W138-K169 HydrophobicContact CZ2-CG 3.73Å; W138-K169 HydrophobicContact CZ3-CB 3.78Å; W138-K169 HydrophobicContact CZ3-CG 4.36Å; W138-K169 WeakPolarHBondContact O-CB 3.34Å; W138-K169 PolarHBondContact O-N 3Å; W138-F172 HydrophobicContact CH2-CB 4.49Å; W138-F172 HydrophobicContact CH2-CD1 4.35Å; W138-F172 HydrophobicContact CZ3-CB 4.4Å; W138-W185 HydrophobicContact CH2-CH2 4.02Å; W138-W185 HydrophobicContact CH2-CZ3 4.13Å; W138-W185 AromaticContact CZ2-CH2 3.95Å; W138-W185 HydrophobicContact CZ2-CH2 3.95Å; W138-W185 HydrophobicContact CZ2-CZ3 4.16Å; W138-L189 HydrophobicContact CD2-CB 4.07Å; W138-L189 HydrophobicContact CD2-CD1 4.09Å; W138-L189 HydrophobicContact CE3-CD1 3.97Å; W138-L189 HydrophobicContact CG-CB 4.21Å; W138-L189 HydrophobicContact CZ2-CB 4.35Å; W138-L189 HydrophobicContact CZ3-CD1 4.31Å; W138-A192 HydrophobicContact CH2-CB 3.67Å; W138-A192 HydrophobicContact CZ2-CB 4.32Å; W138-A192 HydrophobicContact CZ3-CB 4.39Å; W138-L217 HydrophobicContact CE3-CD2 4.14Å; W138-L217 HydrophobicContact CH2-CD2 4.04Å; W138-L217 HydrophobicContact CZ3-CD2 3.42Å; W138-L217 VanDerWaalsContact CZ3-CD2 3.42Å
139T94.9Very high91.6Very high40 Ų4033.2 Ų33.225%0.24517%0.17CC..SBendtrans-135.7161.4170.671.70000110.7T137 W141 D167 K169T137-T139 VanDerWaalsContact C-N 3.35Å; T137-T139 WeakPolarHBondContact CB-O 3.28Å; T137-T139 VanDerWaalsContact OG1-C 3.24Å; T137-T139 PolarHBondContact OG1-O 3.34Å; T139-W141 PolarHBondContact O-N 3.01Å; T139-W141 WeakPolarHBondContact OG1-CB 3.29Å; T139-W141 PolarHBondContact OG1-N 2.74Å; T139-D167 WeakPolarHBondContact CA-OD2 3.43Å; T139-K169 HydrophobicContact CG2-CB 4.26Å; T139-K169 HydrophobicContact CG2-CD 3.69Å
140D92.4Very high93Very high17 Ų1726.3 Ų26.39%0.09114%0.138CC..THydrogen-bonded Turntrans-65-11.3178.8-163.446.8000115.1Y15 D142 I143 S144 R165 D167Y15-D140 WeakPolarHBondContact CD1-OD2 3.18Å; Y15-D140 HydrophobicContact CD2-CB 4.23Å; Y15-D140 VanDerWaalsContact CD2-OD1 3.32Å; Y15-D140 WeakPolarHBondContact CD2-OD1 3.42Å; Y15-D140 HydrophobicContact CE1-CB 4.22Å; Y15-D140 WeakPolarHBondContact CE1-OD2 3.47Å; Y15-D140 HydrophobicContact CE2-CB 3.65Å; D140-D142 VanDerWaalsContact C-N 3.33Å; D140-D142 PolarHBondContact O-N 2.88Å; D140-I143 PolarHBondContact O-N 2.95Å; D140-S144 PolarHBondContact O-N 3Å; D140-S144 PolarHBondContact O-OG 2.7Å; D140-S144 WeakPolarHBondContact OD2-CB 3.46Å; D140-S144 PolarHBondContact OD2-OG 3.12Å; D140-R165 IonicContact OD1-CZ 2.74Å; D140-R165 IonicContact OD1-NE 2.7Å; D140-R165 PolarHBondContact OD1-NE 2.81Å; D140-R165 IonicContact OD1-NH2 2.95Å; D140-R165 PolarHBondContact OD1-NH2 2.97Å; D140-R165 IonicContact OD2-NH2 3.96Å; D140-R165 PolarHBondContact OD2-NH2 2.92Å; D140-D167 PolarHBondContact N-OD2 2.67Å
141W95.2Very high94.2Very high101 Ų10122.2 Ų22.238%0.38311%0.111SC..Hα-helixtrans-55.5-41.3-173.6-174.884.8000113.9S39 A50 T139 I143 T145 C146S39-W141 WeakPolarHBondContact OG-CH2 3.49Å; A50-W141 HydrophobicContact CB-CH2 4.34Å; A50-W141 HydrophobicContact CB-CZ2 4.33Å; T139-W141 PolarHBondContact O-N 3.01Å; T139-W141 WeakPolarHBondContact OG1-CB 3.29Å; T139-W141 PolarHBondContact OG1-N 2.74Å; W141-I143 VanDerWaalsContact C-N 3.32Å; W141-I143 PolarHBondContact O-N 2.88Å; W141-T145 WeakPolarHBondContact O-CA 3.16Å; W141-T145 VanDerWaalsContact O-CB 3.3Å; W141-T145 WeakPolarHBondContact O-CB 3.28Å; W141-T145 PolarHBondContact O-N 2.9Å; W141-C146 HydrophobicContact CD2-CB 4.44Å; W141-C146 HydrophobicContact CE3-CB 3.97Å; W141-C146 HydrophobicContact CH2-CB 3.57Å; W141-C146 HydrophobicContact CZ2-CB 4.09Å; W141-C146 HydrophobicContact CZ3-CB 3.52Å; W141-C146 PolarHBondContact O-N 2.97Å
142D95.7Very high94.8Very high4 Ų427.7 Ų27.72%0.02113%0.128CC..Iπ-helixtrans-51.9-48-177.8-60.5-87.5000112.7L35 F37 T137 D140 C146 L147L35-D142 HydrophobicContact CD1-CB 3.71Å; F37-D142 HydrophobicContact CD2-CB 3.74Å; F37-D142 WeakPolarHBondContact CD2-O 3.45Å; F37-D142 HydrophobicContact CE2-CB 4.19Å; F37-D142 WeakPolarHBondContact CE2-O 3.38Å; F37-D142 HydrophobicContact CG-CB 4.42Å; F37-D142 PolarHBondContact N-OD1 3.27Å; T137-D142 HydrophobicContact CG2-CB 4.06Å; D140-D142 VanDerWaalsContact C-N 3.33Å; D140-D142 PolarHBondContact O-N 2.88Å; D142-C146 WeakPolarHBondContact O-CB 3.3Å; D142-L147 WeakPolarHBondContact O-CB 3.43Å; D142-L147 PolarHBondContact O-N 3.29Å
143I93.6Very high95.2Very high2 Ų231.5 Ų31.51%0.0114%0.142CC..Iπ-helixtrans-97.8-45-175-70.1169.8000111.7L35 F37 T137 D140 W141 T145 L147 W148 M162 R165L35-I143 HydrophobicContact CD1-CD1 4.49Å; L35-I143 HydrophobicContact CD1-CG1 4.49Å; L35-I143 HydrophobicContact CD2-CD1 3.9Å; F37-I143 HydrophobicContact CE2-CG1 4.31Å; T137-I143 HydrophobicContact CG2-CD1 4.13Å; D140-I143 PolarHBondContact O-N 2.95Å; W141-I143 VanDerWaalsContact C-N 3.32Å; W141-I143 PolarHBondContact O-N 2.88Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; I143-L147 HydrophobicContact CG1-CD2 4.39Å; I143-W148 VanDerWaalsContact O-CB 3.27Å; I143-W148 WeakPolarHBondContact O-CB 3.01Å; I143-W148 PolarHBondContact O-N 2.88Å; I143-M162 HydrophobicContact CD1-CB 3.89Å; I143-M162 HydrophobicContact CD1-CG 4.34Å; I143-M162 HydrophobicContact CD1-SD 4.49Å; I143-R165 VanDerWaalsContact CD1-CD 3.43Å; I143-R165 VanDerWaalsContact CG2-CZ 3.49Å
144S92.5Very high95.5Very high41 Ų4133.5 Ų33.529%0.28715%0.151SC..Iπ-helixtrans-76.5-22.3-175.265.50000114.2D140 W148D140-S144 PolarHBondContact O-N 3Å; D140-S144 PolarHBondContact O-OG 2.7Å; D140-S144 WeakPolarHBondContact OD2-CB 3.46Å; D140-S144 PolarHBondContact OD2-OG 3.12Å; S144-W148 WeakPolarHBondContact O-CB 3.37Å
145T92.8Very high95.7Very high53 Ų5342.6 Ų42.633%0.32519%0.191SC..Iπ-helixtrans-112.3-67.9178.2-51.30000110.5W141 I143 D149W141-T145 WeakPolarHBondContact O-CA 3.16Å; W141-T145 VanDerWaalsContact O-CB 3.3Å; W141-T145 WeakPolarHBondContact O-CB 3.28Å; W141-T145 PolarHBondContact O-N 2.9Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; T145-D149 VanDerWaalsContact O-CB 3.26Å; T145-D149 WeakPolarHBondContact O-CB 3.5Å; T145-D149 PolarHBondContact O-N 3.18Å
146C95.3Very high95.8Very high3 Ų344.4 Ų44.42%0.0220%0.2CC..Iπ-helixtrans-62.2-62.8-168.3-166.10000112.5I52 W141 D142 W148 E150I52-C146 VanDerWaalsContact CG1-SG 3.56Å; W141-C146 HydrophobicContact CD2-CB 4.44Å; W141-C146 HydrophobicContact CE3-CB 3.97Å; W141-C146 HydrophobicContact CH2-CB 3.57Å; W141-C146 HydrophobicContact CZ2-CB 4.09Å; W141-C146 HydrophobicContact CZ3-CB 3.52Å; W141-C146 PolarHBondContact O-N 2.97Å; D142-C146 WeakPolarHBondContact O-CB 3.3Å; C146-W148 PolarHBondContact O-N 2.83Å; C146-E150 WeakPolarHBondContact O-CB 3.32Å; C146-E150 PolarHBondContact O-N 3Å; C146-E150 VanDerWaalsContact O-N 3.08Å
147L96.7Very high95.7Very high0 Ų049.5 Ų49.50%023%0.233CC..Iπ-helixtrans-65.9-40.3-179.5-178.565.8000112.6F37 I52 F55 L104 L108 D142 I143 C151 L158 M162F37-L147 HydrophobicContact CD2-CB 4.49Å; F37-L147 HydrophobicContact CE2-CB 3.84Å; F37-L147 HydrophobicContact CE2-CD2 4.14Å; F37-L147 HydrophobicContact CE2-CG 4.44Å; F37-L147 HydrophobicContact CZ-CD2 4.29Å; I52-L147 HydrophobicContact CD1-CB 4.12Å; I52-L147 HydrophobicContact CD1-CD1 3.73Å; F55-L147 HydrophobicContact CE2-CD1 4.36Å; L104-L147 HydrophobicContact CD2-CD1 4.49Å; L108-L147 HydrophobicContact CD2-CD1 4.13Å; D142-L147 WeakPolarHBondContact O-CB 3.43Å; D142-L147 PolarHBondContact O-N 3.29Å; I143-L147 HydrophobicContact CG1-CD2 4.39Å; L147-C151 VanDerWaalsContact O-CB 3.22Å; L147-C151 WeakPolarHBondContact O-CB 3.02Å; L147-C151 PolarHBondContact O-N 2.77Å; L147-C151 PolarHBondContact O-SG 2.84Å; L147-C151 VanDerWaalsContact O-SG 3.33Å; L147-L158 HydrophobicContact CD2-CD1 3.74Å; L147-L158 HydrophobicContact CG-CD1 3.64Å; L147-M162 HydrophobicContact CD2-SD 3.66Å
148W95.5Very high95.5Very high94 Ų9451.5 Ų51.536%0.35624%0.244SC..Hα-helixtrans-62.7-51.3179.8-179.3-88.5000112.1F17 I143 S144 C146 R152 L158F17-W148 HydrophobicContact CD1-CZ3 4.49Å; F17-W148 HydrophobicContact CE1-CE3 4.36Å; F17-W148 HydrophobicContact CE1-CH2 4.22Å; F17-W148 AromaticContact CE1-CZ3 3.84Å; F17-W148 HydrophobicContact CE1-CZ3 3.84Å; F17-W148 HydrophobicContact CZ-CE3 4.35Å; F17-W148 HydrophobicContact CZ-CZ3 4.26Å; I143-W148 VanDerWaalsContact O-CB 3.27Å; I143-W148 WeakPolarHBondContact O-CB 3.01Å; I143-W148 PolarHBondContact O-N 2.88Å; S144-W148 WeakPolarHBondContact O-CB 3.37Å; C146-W148 PolarHBondContact O-N 2.83Å; W148-R152 VanDerWaalsContact O-CB 3.31Å; W148-R152 WeakPolarHBondContact O-CB 3.27Å; W148-R152 PolarHBondContact O-N 3.06Å; W148-L158 HydrophobicContact CD2-CD2 4.46Å; W148-L158 HydrophobicContact CE3-CD2 3.3Å; W148-L158 HydrophobicContact CZ3-CD2 3.41Å; W148-L158 VanDerWaalsContact CZ3-CD2 3.41Å
149D95.9Very high95.2Very high48 Ų4851.7 Ų51.726%0.25725%0.247SC..Hα-helixtrans-70.7-34.3-177.7-76-22.4000112.3T145 R152 R153T145-D149 VanDerWaalsContact O-CB 3.26Å; T145-D149 WeakPolarHBondContact O-CB 3.5Å; T145-D149 PolarHBondContact O-N 3.18Å; D149-R152 PolarHBondContact O-N 3.28Å; D149-R152 IonicContact OD1-CZ 3.65Å; D149-R152 IonicContact OD1-NE 2.79Å; D149-R152 IonicContact OD1-NH1 3.19Å; D149-R152 PolarHBondContact OD1-NH1 2.83Å; D149-R152 IonicContact OD1-NH2 2.79Å; D149-R152 PolarHBondContact OD1-NH2 2.83Å; D149-R152 IonicContact OD2-NH2 2.68Å; D149-R153 WeakPolarHBondContact O-CB 3.42Å; D149-R153 WeakPolarHBondContact O-CG 3.3Å; D149-R153 PolarHBondContact O-N 3.4Å; D149-R153 PolarHBondContact O-NE 2.98Å
150E97.6Very high94.9Very high0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-68.3-46.9174.4-165.4-177.9161.500112.2E51 I52 L104 C146 R152 R153 K154E51-E150 WeakPolarHBondContact CA-OE2 3.34Å; I52-E150 PolarHBondContact N-OE2 3.24Å; L104-E150 HydrophobicContact CD2-CB 4.24Å; L104-E150 HydrophobicContact CD2-CG 3.79Å; L104-E150 VanDerWaalsContact CD2-OE1 3.25Å; L104-E150 WeakPolarHBondContact CD2-OE1 3.43Å; C146-E150 WeakPolarHBondContact O-CB 3.32Å; C146-E150 PolarHBondContact O-N 3Å; C146-E150 VanDerWaalsContact O-N 3.08Å; E150-R152 VanDerWaalsContact C-N 3.28Å; E150-R152 PolarHBondContact O-N 2.98Å; E150-R153 VanDerWaalsContact CA-NH2 3.25Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-K154 HydrophobicContact CG-CD 3.79Å; E150-K154 HydrophobicContact CG-CG 4.25Å; E150-K154 WeakPolarHBondContact O-CB 3.17Å; E150-K154 WeakPolarHBondContact O-CG 3.32Å; E150-K154 PolarHBondContact O-N 3.04Å; E150-K154 VanDerWaalsContact OE1-CE 3.24Å; E150-K154 WeakPolarHBondContact OE1-CE 3.4Å; E150-K154 IonicContact OE1-NZ 3.28Å; E150-K154 PolarHBondContact OE1-NZ 2.89Å
151C97.4Very high94.9Very high5 Ų553 Ų533%0.03427%0.265CS..Hα-helixtrans-59.3-40173.9-75.90000111.6L147 K155 L156 L158L147-C151 VanDerWaalsContact O-CB 3.22Å; L147-C151 WeakPolarHBondContact O-CB 3.02Å; L147-C151 PolarHBondContact O-N 2.77Å; L147-C151 PolarHBondContact O-SG 2.84Å; L147-C151 VanDerWaalsContact O-SG 3.33Å; C151-K155 CarbonylContact O-C 3.58Å; C151-K155 WeakPolarHBondContact O-CA 3.41Å; C151-K155 PolarHBondContact O-N 2.81Å; C151-L156 HydrophobicContact CB-CB 4.27Å; C151-L156 PolarHBondContact O-N 3.28Å; C151-L158 HydrophobicContact CB-CD1 4.4Å
152R96.4Very high94.7Very high152 Ų15248.3 Ų48.357%0.57425%0.247SC*.Hα-helixtrans-63-49.1176.2-171.7179.771.5-138.3-2.4112.1W148 D149 E150W148-R152 VanDerWaalsContact O-CB 3.31Å; W148-R152 WeakPolarHBondContact O-CB 3.27Å; W148-R152 PolarHBondContact O-N 3.06Å; D149-R152 PolarHBondContact O-N 3.28Å; D149-R152 IonicContact OD1-CZ 3.65Å; D149-R152 IonicContact OD1-NE 2.79Å; D149-R152 IonicContact OD1-NH1 3.19Å; D149-R152 PolarHBondContact OD1-NH1 2.83Å; D149-R152 IonicContact OD1-NH2 2.79Å; D149-R152 PolarHBondContact OD1-NH2 2.83Å; D149-R152 IonicContact OD2-NH2 2.68Å; E150-R152 VanDerWaalsContact C-N 3.28Å; E150-R152 PolarHBondContact O-N 2.98Å
153R97.1Very high94.3Very high79 Ų7949.8 Ų49.830%0.29826%0.255SS..Hα-helixtrans-61.5-48.2178-80.6-179-75.3108.6-6.3112A50 E79 D149 E150 K155A50-R153 PolarHBondContact O-NH2 3.29Å; E79-R153 IonicContact OE1-NH1 3.24Å; E79-R153 PolarHBondContact OE1-NH1 2.93Å; E79-R153 IonicContact OE2-CZ 3.99Å; E79-R153 IonicContact OE2-NE 2.64Å; E79-R153 IonicContact OE2-NH1 2.84Å; E79-R153 PolarHBondContact OE2-NH1 3.19Å; D149-R153 WeakPolarHBondContact O-CB 3.42Å; D149-R153 WeakPolarHBondContact O-CG 3.3Å; D149-R153 PolarHBondContact O-N 3.4Å; D149-R153 PolarHBondContact O-NE 2.98Å; E150-R153 VanDerWaalsContact CA-NH2 3.25Å; E150-R153 PolarHBondContact O-N 2.82Å; R153-K155 VanDerWaalsContact C-N 3.3Å; R153-K155 PolarHBondContact O-N 2.8Å
154K97.5Very high93.9Very high42 Ų4250.5 Ų50.518%0.18326%0.259CS..Hα-helixtrans-84.91.9-175.4-60.7-172.4-176.5-178.80114.1E51 T78 E79 E150 L156E51-K154 VanDerWaalsContact OE1-CE 3.3Å; E51-K154 WeakPolarHBondContact OE1-CE 3.36Å; E51-K154 IonicContact OE1-NZ 2.65Å; E51-K154 PolarHBondContact OE1-NZ 3.22Å; T78-K154 VanDerWaalsContact OG1-CE 3.27Å; T78-K154 WeakPolarHBondContact OG1-CE 3.38Å; T78-K154 PolarHBondContact OG1-NZ 3.28Å; E79-K154 WeakPolarHBondContact OE1-CE 3.24Å; E79-K154 WeakPolarHBondContact OE1-CG 3.24Å; E150-K154 HydrophobicContact CG-CD 3.79Å; E150-K154 HydrophobicContact CG-CG 4.25Å; E150-K154 WeakPolarHBondContact O-CB 3.17Å; E150-K154 WeakPolarHBondContact O-CG 3.32Å; E150-K154 PolarHBondContact O-N 3.04Å; E150-K154 VanDerWaalsContact OE1-CE 3.24Å; E150-K154 WeakPolarHBondContact OE1-CE 3.4Å; E150-K154 IonicContact OE1-NZ 3.28Å; E150-K154 PolarHBondContact OE1-NZ 2.89Å; K154-L156 VanDerWaalsContact C-N 3.28Å; K154-L156 HydrophobicContact CB-CD1 3.89Å; K154-L156 HydrophobicContact CB-CG 3.77Å; K154-L156 HydrophobicContact CD-CD1 4.44Å; K154-L156 PolarHBondContact O-N 3.45Å
155K97.5Very high93.9Very high193 Ų19348.6 Ų48.684%0.83925%0.245SC*.THydrogen-bonded Turntrans54.640.9-178.1-55.3177.4-177175.60112.8C151 R153C151-K155 CarbonylContact O-C 3.58Å; C151-K155 WeakPolarHBondContact O-CA 3.41Å; C151-K155 PolarHBondContact O-N 2.81Å; R153-K155 VanDerWaalsContact C-N 3.3Å; R153-K155 PolarHBondContact O-N 2.8Å
156L97.4Very high93.8Very high37 Ų3746.1 Ų46.119%0.19423%0.23CC..PPolyproline II helixtrans-94.8147.1-179.8-56.8177.7000111.1L104 A105 L108 C151 K154 L158L104-L156 HydrophobicContact CB-CD1 4.17Å; L104-L156 HydrophobicContact CD2-CD1 3.93Å; L104-L156 HydrophobicContact CG-CD1 3.97Å; A105-L156 HydrophobicContact CB-CD1 4.23Å; A105-L156 HydrophobicContact CB-CD2 3.62Å; L108-L156 HydrophobicContact CD1-CB 4.15Å; L108-L156 HydrophobicContact CD1-CD1 4.09Å; C151-L156 HydrophobicContact CB-CB 4.27Å; C151-L156 PolarHBondContact O-N 3.28Å; K154-L156 VanDerWaalsContact C-N 3.28Å; K154-L156 HydrophobicContact CB-CD1 3.89Å; K154-L156 HydrophobicContact CB-CG 3.77Å; K154-L156 HydrophobicContact CD-CD1 4.44Å; K154-L156 PolarHBondContact O-N 3.45Å; L156-L158 PolarHBondContact O-N 3.35Å
157P94.5Very high93.8Very high108 Ų10846.8 Ų46.870%0.70123%0.233SC*.PPolyproline II helixtrans-68.4132.4172.329.7-34000110.1
158L92.2Very high93.7Very high42 Ų4246.8 Ų46.822%0.2223%0.233CC..PPolyproline II helixtrans-81.3134.4175.9-17269000110.4L147 W148 C151 L156 G160 L163L147-L158 HydrophobicContact CD2-CD1 3.74Å; L147-L158 HydrophobicContact CG-CD1 3.64Å; W148-L158 HydrophobicContact CD2-CD2 4.46Å; W148-L158 HydrophobicContact CE3-CD2 3.3Å; W148-L158 HydrophobicContact CZ3-CD2 3.41Å; W148-L158 VanDerWaalsContact CZ3-CD2 3.41Å; C151-L158 HydrophobicContact CB-CD1 4.4Å; L156-L158 PolarHBondContact O-N 3.35Å; L158-G160 PolarHBondContact O-N 3.11Å; L158-L163 HydrophobicContact CD2-CD2 3.42Å; L158-L163 VanDerWaalsContact CD2-CD2 3.42Å; L158-L163 HydrophobicContact CD2-CG 4.42Å; L158-L163 HydrophobicContact CG-CD2 4.32Å
159P91.2Very high93.6Very high24 Ų2444.3 Ų44.316%0.15623%0.225CC..  trans-62.9104.6176-23.134.8000111.6L108 F111 D161 M162L108-P159 HydrophobicContact CD2-CG 3.8Å; F111-P159 HydrophobicContact CD1-CG 4.39Å; F111-P159 HydrophobicContact CE1-CB 4.25Å; F111-P159 HydrophobicContact CE1-CG 4.43Å; P159-D161 PolarHBondContact O-N 3.47Å; P159-D161 VanDerWaalsContact O-N 3.1Å; P159-M162 HydrophobicContact CB-CB 4.46Å; P159-M162 HydrophobicContact CB-CG 4.1Å; P159-M162 HydrophobicContact CB-SD 3.97Å; P159-M162 HydrophobicContact CG-SD 4.02Å; P159-M162 WeakPolarHBondContact O-CB 3.33Å; P159-M162 PolarHBondContact O-N 3.35Å
160G89.5Confident93.4Very high51 Ų5143.2 Ų43.253%0.52622%0.223SC..G310 helixtrans-59.5-26.1-174.200000114.9L158 M162 L163L158-G160 PolarHBondContact O-N 3.11Å; G160-M162 VanDerWaalsContact C-N 3.3Å; G160-M162 PolarHBondContact O-N 2.88Å; G160-L163 WeakPolarHBondContact O-CB 3.48Å; G160-L163 PolarHBondContact O-N 3.05Å
161D91.1Very high93Very high35 Ų3543.3 Ų43.319%0.18722%0.224CC..G310 helixtrans-67.4-28175.2-71.7-31.3000112.7L115 K119 F126 F135 P159 L163L115-D161 HydrophobicContact CD2-CB 3.98Å; K119-D161 IonicContact NZ-OD2 3.97Å; K119-D161 PolarHBondContact NZ-OD2 3.41Å; F126-D161 HydrophobicContact CB-CB 4.35Å; F126-D161 HydrophobicContact CD2-CB 3.58Å; F126-D161 VanDerWaalsContact CD2-CG 3.44Å; F126-D161 HydrophobicContact CE2-CB 4.02Å; F126-D161 HydrophobicContact CG-CB 3.95Å; F135-D161 VanDerWaalsContact CD2-O 3.28Å; F135-D161 WeakPolarHBondContact CD2-O 3.47Å; F135-D161 HydrophobicContact CE2-CB 4.04Å; P159-D161 PolarHBondContact O-N 3.47Å; P159-D161 VanDerWaalsContact O-N 3.1Å; D161-L163 VanDerWaalsContact C-N 3.28Å; D161-L163 PolarHBondContact O-N 2.96Å
162M92Very high92.7Very high1 Ų143.1 Ų43.11%0.00522%0.222CC..G310 helixtrans-76.6-12.8178.4-71.8-178.714800113.8L35 F37 F55 F111 F135 I143 L147 P159 G160 N164 R165L35-M162 HydrophobicContact CD2-CE 3.42Å; L35-M162 VanDerWaalsContact CD2-CE 3.42Å; F37-M162 HydrophobicContact CZ-CE 4.16Å; F55-M162 HydrophobicContact CE1-CE 3.8Å; F55-M162 HydrophobicContact CZ-CE 3.54Å; F55-M162 HydrophobicContact CZ-SD 4.29Å; F111-M162 HydrophobicContact CD1-CE 4.46Å; F111-M162 HydrophobicContact CE1-CE 3.65Å; F111-M162 HydrophobicContact CE1-CG 4.46Å; F111-M162 HydrophobicContact CE1-SD 4.11Å; F111-M162 HydrophobicContact CE2-CE 4.22Å; F111-M162 HydrophobicContact CZ-CE 3.52Å; F111-M162 HydrophobicContact CZ-SD 4.49Å; F135-M162 HydrophobicContact CD1-CE 4.41Å; F135-M162 HydrophobicContact CD1-CG 4.17Å; F135-M162 HydrophobicContact CD2-CB 4.41Å; F135-M162 HydrophobicContact CD2-CG 4.11Å; F135-M162 HydrophobicContact CE1-CE 3.9Å; F135-M162 HydrophobicContact CE1-CG 3.92Å; F135-M162 HydrophobicContact CE2-CG 3.86Å; F135-M162 HydrophobicContact CG-CG 4.25Å; F135-M162 HydrophobicContact CZ-CE 4.39Å; F135-M162 HydrophobicContact CZ-CG 3.77Å; I143-M162 HydrophobicContact CD1-CB 3.89Å; I143-M162 HydrophobicContact CD1-CG 4.34Å; I143-M162 HydrophobicContact CD1-SD 4.49Å; L147-M162 HydrophobicContact CD2-SD 3.66Å; P159-M162 HydrophobicContact CB-CB 4.46Å; P159-M162 HydrophobicContact CB-CG 4.1Å; P159-M162 HydrophobicContact CB-SD 3.97Å; P159-M162 HydrophobicContact CG-SD 4.02Å; P159-M162 WeakPolarHBondContact O-CB 3.33Å; P159-M162 PolarHBondContact O-N 3.35Å; G160-M162 VanDerWaalsContact C-N 3.3Å; G160-M162 PolarHBondContact O-N 2.88Å; M162-N164 PolarHBondContact O-N 3.43Å; M162-R165 PolarHBondContact O-NH1 3.48Å
163L85.9Confident92.4Very high36 Ų3638.1 Ų38.119%0.18821%0.205CC..G310 helixtrans-65.2-27.6-177.3-68.7178.7000112.7F17 L158 G160 D161 R165F17-L163 HydrophobicContact CB-CB 4.05Å; F17-L163 HydrophobicContact CB-CD1 4.04Å; F17-L163 HydrophobicContact CB-CD2 4.41Å; F17-L163 HydrophobicContact CB-CG 4.4Å; F17-L163 HydrophobicContact CD1-CD2 4.38Å; F17-L163 HydrophobicContact CD2-CB 3.9Å; F17-L163 HydrophobicContact CD2-CD2 3.7Å; F17-L163 HydrophobicContact CD2-CG 4.32Å; F17-L163 WeakPolarHBondContact CD2-O 3.23Å; F17-L163 HydrophobicContact CE2-CD2 3.94Å; F17-L163 HydrophobicContact CG-CB 4.24Å; F17-L163 HydrophobicContact CG-CD1 4.42Å; F17-L163 HydrophobicContact CG-CD2 3.93Å; F17-L163 HydrophobicContact CG-CG 4.42Å; F17-L163 HydrophobicContact CZ-CD2 4.38Å; L158-L163 HydrophobicContact CD2-CD2 3.42Å; L158-L163 VanDerWaalsContact CD2-CD2 3.42Å; L158-L163 HydrophobicContact CD2-CG 4.42Å; L158-L163 HydrophobicContact CG-CD2 4.32Å; G160-L163 WeakPolarHBondContact O-CB 3.48Å; G160-L163 PolarHBondContact O-N 3.05Å; D161-L163 VanDerWaalsContact C-N 3.28Å; D161-L163 PolarHBondContact O-N 2.96Å; L163-R165 PolarHBondContact O-NH1 2.75Å
164N85.9Confident91.8Very high16 Ų1636.6 Ų36.69%0.08620%0.202CC..SBendtrans-105.6107.7-179.2-69.36.2000110.1Y15 D16 F17 A21 M162Y15-N164 WeakPolarHBondContact O-CA 3.35Å; D16-N164 PolarHBondContact OD1-ND2 3.5Å; D16-N164 PolarHBondContact OD1-OD1 3.02Å; D16-N164 VanDerWaalsContact OD1-OD1 3.06Å; F17-N164 PolarHBondContact N-OD1 2.94Å; A21-N164 WeakPolarHBondContact CB-ND2 3.42Å; M162-N164 PolarHBondContact O-N 3.43Å
165R91.8Very high91.3Very high1 Ų136.2 Ų36.20%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-151.5166-167.568.5-169.3172.3-74.4-13114F14 Y15 F135 D140 I143 M162 L163F14-R165 WeakPolarHBondContact CA-O 3.19Å; Y15-R165 HydrophobicContact CD2-CG 4.45Å; Y15-R165 PolarHBondContact N-O 3.12Å; Y15-R165 PolarHBondContact O-N 3.29Å; F135-R165 HydrophobicContact CB-CB 3.79Å; F135-R165 CarbonylContact O-C 3.47Å; F135-R165 VanDerWaalsContact O-CA 3.23Å; F135-R165 WeakPolarHBondContact O-CA 3.38Å; F135-R165 WeakPolarHBondContact O-CB 3.46Å; D140-R165 IonicContact OD1-CZ 2.74Å; D140-R165 IonicContact OD1-NE 2.7Å; D140-R165 PolarHBondContact OD1-NE 2.81Å; D140-R165 IonicContact OD1-NH2 2.95Å; D140-R165 PolarHBondContact OD1-NH2 2.97Å; D140-R165 IonicContact OD2-NH2 3.96Å; D140-R165 PolarHBondContact OD2-NH2 2.92Å; I143-R165 VanDerWaalsContact CD1-CD 3.43Å; I143-R165 VanDerWaalsContact CG2-CZ 3.49Å; M162-R165 PolarHBondContact O-NH1 3.48Å; L163-R165 PolarHBondContact O-NH1 2.75Å
166I92.4Very high90.8Very high2 Ų227.5 Ų27.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-110.5130.2176-71.2167.9000110.4T4 A8 A13 F14 F32 I134 F135 V136 T137 I171T4-I166 HydrophobicContact CG2-CD1 4.36Å; A8-I166 HydrophobicContact CB-CG1 4.5Å; A13-I166 WeakPolarHBondContact O-CA 3.49Å; F14-I166 HydrophobicContact CD2-CG1 4.24Å; F32-I166 HydrophobicContact CE1-CD1 4.39Å; I134-I166 HydrophobicContact CD1-CD1 3.9Å; I134-I166 HydrophobicContact CD1-CG1 3.88Å; I134-I166 HydrophobicContact CG2-CD1 4.14Å; F135-I166 PolarHBondContact O-N 2.88Å; V136-I166 WeakPolarHBondContact CA-O 3.28Å; V136-I166 HydrophobicContact CG1-CB 4.42Å; V136-I166 HydrophobicContact CG1-CG2 4.27Å; V136-I166 HydrophobicContact CG2-CB 4.34Å; T137-I166 PolarHBondContact N-O 2.82Å; I166-I171 HydrophobicContact CG2-CD1 3.37Å; I166-I171 HydrophobicContact CG2-CG1 4.4Å
167D93.7Very high90Very high16 Ų1627.8 Ų27.89%0.08617%0.173CC..EExtended strand (participates in β ladder)trans-83.3112.7160.1176.7-44.1000108.8A13 Y15 T139 D140 K169 A170A13-D167 PolarHBondContact O-N 3.28Å; Y15-D167 HydrophobicContact CE2-CB 3.72Å; T139-D167 WeakPolarHBondContact CA-OD2 3.43Å; D140-D167 PolarHBondContact N-OD2 2.67Å; D167-K169 WeakPolarHBondContact OD1-CA 3.31Å; D167-K169 WeakPolarHBondContact OD1-CB 3.37Å; D167-K169 PolarHBondContact OD1-N 3.36Å; D167-A170 HydrophobicContact CB-CB 4.31Å; D167-A170 WeakPolarHBondContact OD1-CB 3.48Å; D167-A170 PolarHBondContact OD1-N 2.99Å
168L95Very high89.1Confident0 Ų026.9 Ų26.90%017%0.169CC..Hα-helixtrans-74.9-29.7-176.6-16666.1000112.6V136 T137 W138 I171 F172 T214 L217 L218 L221V136-L168 HydrophobicContact CG1-CB 3.95Å; V136-L168 HydrophobicContact CG1-CD1 4.44Å; T137-L168 WeakPolarHBondContact O-CB 3.38Å; T137-L168 PolarHBondContact O-N 2.73Å; W138-L168 HydrophobicContact CE3-CB 4.24Å; L168-I171 PolarHBondContact O-N 2.76Å; L168-F172 WeakPolarHBondContact O-CB 3.3Å; L168-F172 PolarHBondContact O-N 2.64Å; L168-T214 HydrophobicContact CB-CG2 4.48Å; L168-T214 HydrophobicContact CD2-CG2 3.6Å; L168-T214 WeakPolarHBondContact CD2-O 3.49Å; L168-L217 HydrophobicContact CD2-CB 4.19Å; L168-L217 HydrophobicContact CD2-CD2 4.16Å; L168-L217 HydrophobicContact CD2-CG 4.08Å; L168-L218 HydrophobicContact CD1-CB 4.22Å; L168-L218 HydrophobicContact CD1-CD1 3.83Å; L168-L218 HydrophobicContact CD2-CB 3.92Å; L168-L221 HydrophobicContact CD1-CD1 3.83Å; L168-L221 HydrophobicContact CG-CD1 4.23Å
169K94.4Very high87.9Confident42 Ų4230.5 Ų30.518%0.18319%0.185CC..Hα-helixtrans-66.5-38.4178.6-177.9172.7-166.5168.70111.9W138 T139 D167 F172 Q173 W185 G187W138-K169 HydrophobicContact CD2-CB 4.02Å; W138-K169 HydrophobicContact CE3-CB 3.91Å; W138-K169 HydrophobicContact CH2-CB 3.77Å; W138-K169 HydrophobicContact CH2-CD 4.41Å; W138-K169 HydrophobicContact CH2-CG 3.84Å; W138-K169 HydrophobicContact CZ2-CB 3.89Å; W138-K169 HydrophobicContact CZ2-CD 3.79Å; W138-K169 HydrophobicContact CZ2-CG 3.73Å; W138-K169 HydrophobicContact CZ3-CB 3.78Å; W138-K169 HydrophobicContact CZ3-CG 4.36Å; W138-K169 WeakPolarHBondContact O-CB 3.34Å; W138-K169 PolarHBondContact O-N 3Å; T139-K169 HydrophobicContact CG2-CB 4.26Å; T139-K169 HydrophobicContact CG2-CD 3.69Å; D167-K169 WeakPolarHBondContact OD1-CA 3.31Å; D167-K169 WeakPolarHBondContact OD1-CB 3.37Å; D167-K169 PolarHBondContact OD1-N 3.36Å; K169-F172 PolarHBondContact O-N 3.26Å; K169-Q173 WeakPolarHBondContact O-CB 3.48Å; K169-Q173 VanDerWaalsContact O-CG 3.3Å; K169-Q173 WeakPolarHBondContact O-CG 3.35Å; K169-Q173 PolarHBondContact O-N 3.37Å; K169-W185 HydrophobicContact CG-CZ3 4.26Å; K169-G187 WeakPolarHBondContact CE-O 3.36Å; K169-G187 PolarHBondContact NZ-O 2.77Å
170A90.8Very high86.5Confident25 Ų2538 Ų3821%0.20722%0.215CC..Hα-helixtrans-64.2-43.1175.300000111.5A13 D167 Q173 Q174A13-A170 HydrophobicContact CB-CB 3.57Å; D167-A170 HydrophobicContact CB-CB 4.31Å; D167-A170 WeakPolarHBondContact OD1-CB 3.48Å; D167-A170 PolarHBondContact OD1-N 2.99Å; A170-Q173 PolarHBondContact O-N 2.84Å; A170-Q174 PolarHBondContact O-N 2.94Å
171I90.1Very high85.2Confident3 Ų338.6 Ų38.62%0.01521%0.206CC..Hα-helixtrans-62.7-45.3172.8-66.8-178.4000111.1A8 I11 A13 I166 L168 Q174 W175 L221 V226 L227A8-I171 HydrophobicContact CB-CD1 3.94Å; A8-I171 HydrophobicContact CB-CG1 4.48Å; I11-I171 HydrophobicContact CD1-CG1 4.08Å; A13-I171 HydrophobicContact CB-CG1 3.94Å; I166-I171 HydrophobicContact CG2-CD1 3.37Å; I166-I171 HydrophobicContact CG2-CG1 4.4Å; L168-I171 PolarHBondContact O-N 2.76Å; I171-Q174 PolarHBondContact O-N 3.17Å; I171-W175 PolarHBondContact O-N 3.29Å; I171-L221 HydrophobicContact CG2-CD1 4.29Å; I171-V226 HydrophobicContact CG2-CG1 4.27Å; I171-L227 HydrophobicContact CD1-CD2 4.12Å; I171-L227 HydrophobicContact CG2-CD2 3.66Å
172F91.5Very high83.6Confident0 Ų041.3 Ų41.30%024%0.242CC..Hα-helixtrans-63.2-43.1178.3-179.5-97.7000112.3W138 L168 K169 Q174 W175 L176 W185 A192 L195 I196 L217 L221W138-F172 HydrophobicContact CH2-CB 4.49Å; W138-F172 HydrophobicContact CH2-CD1 4.35Å; W138-F172 HydrophobicContact CZ3-CB 4.4Å; L168-F172 WeakPolarHBondContact O-CB 3.3Å; L168-F172 PolarHBondContact O-N 2.64Å; K169-F172 PolarHBondContact O-N 3.26Å; F172-Q174 VanDerWaalsContact C-N 3.33Å; F172-Q174 PolarHBondContact O-N 3.43Å; F172-W175 AromaticContact CD2-CE3 3.99Å; F172-W175 HydrophobicContact CD2-CE3 3.99Å; F172-W175 HydrophobicContact CD2-CZ3 4.38Å; F172-W175 AromaticContact CE2-CE3 3.77Å; F172-W175 HydrophobicContact CE2-CE3 3.77Å; F172-W175 AromaticContact CE2-CZ3 3.74Å; F172-W175 HydrophobicContact CE2-CZ3 3.74Å; F172-W175 HydrophobicContact CZ-CZ3 4.42Å; F172-W175 PolarHBondContact O-N 3.36Å; F172-L176 HydrophobicContact CE1-CD2 3.95Å; F172-L176 HydrophobicContact CZ-CD2 4.37Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 2.83Å; F172-W185 AromaticContact CD1-CE3 3.99Å; F172-W185 HydrophobicContact CD1-CE3 3.99Å; F172-W185 AromaticContact CD1-CH2 3.91Å; F172-W185 HydrophobicContact CD1-CH2 3.91Å; F172-W185 HydrophobicContact CD1-CZ2 4.45Å; F172-W185 AromaticContact CD1-CZ3 3.65Å; F172-W185 HydrophobicContact CD1-CZ3 3.65Å; F172-W185 HydrophobicContact CE1-CD2 4.17Å; F172-W185 HydrophobicContact CE1-CE3 4.05Å; F172-W185 AromaticContact CE1-CH2 3.73Å; F172-W185 HydrophobicContact CE1-CH2 3.73Å; F172-W185 AromaticContact CE1-CZ2 3.83Å; F172-W185 HydrophobicContact CE1-CZ2 3.83Å; F172-W185 AromaticContact CE1-CZ3 3.84Å; F172-W185 HydrophobicContact CE1-CZ3 3.84Å; F172-A192 HydrophobicContact CD1-CB 3.83Å; F172-A192 HydrophobicContact CD2-CB 4.24Å; F172-A192 HydrophobicContact CE1-CB 3.49Å; F172-A192 VanDerWaalsContact CE1-CB 3.49Å; F172-A192 HydrophobicContact CE2-CB 3.93Å; F172-A192 HydrophobicContact CG-CB 4.2Å; F172-A192 HydrophobicContact CZ-CB 3.55Å; F172-L195 HydrophobicContact CE1-CD1 4.2Å; F172-L195 HydrophobicContact CZ-CB 4.22Å; F172-L195 HydrophobicContact CZ-CD1 4.07Å; F172-I196 HydrophobicContact CE2-CG2 3.97Å; F172-L217 HydrophobicContact CD2-CD1 3.8Å; F172-L217 HydrophobicContact CD2-CD2 4.29Å; F172-L217 HydrophobicContact CD2-CG 4.46Å; F172-L217 HydrophobicContact CE2-CD1 3.92Å; F172-L221 HydrophobicContact CB-CD1 4.32Å; F172-L221 HydrophobicContact CD2-CD1 4.35Å; F172-L221 HydrophobicContact CD2-CD2 4.22Å
173Q89.7Confident82.2Confident47 Ų4749.2 Ų49.222%0.2228%0.279CS..Hα-helixtrans-58.5-44.7174.9-83.2177.2-8.300111.6K169 A170 G177 W185K169-Q173 WeakPolarHBondContact O-CB 3.48Å; K169-Q173 VanDerWaalsContact O-CG 3.3Å; K169-Q173 WeakPolarHBondContact O-CG 3.35Å; K169-Q173 PolarHBondContact O-N 3.37Å; A170-Q173 PolarHBondContact O-N 2.84Å; Q173-G177 PolarHBondContact O-N 3.45Å; Q173-W185 HydrophobicContact CG-CE3 3.84Å; Q173-W185 HydrophobicContact CG-CZ3 4.43Å; Q173-W185 PolarHBondContact NE2-O 3.44Å
174Q84.4Confident81.7Confident48 Ų4855.1 Ų55.122%0.22430%0.303CS..Hα-helixtrans-63.4-47.8176.6-169-156.6-1.600111.3E7 I11 A170 I171 F172 L176 G177 S178E7-Q174 PolarHBondContact OE1-NE2 3.28Å; I11-Q174 HydrophobicContact CD1-CB 4.18Å; I11-Q174 VanDerWaalsContact CD1-OE1 3.27Å; I11-Q174 HydrophobicContact CG2-CG 4.39Å; A170-Q174 PolarHBondContact O-N 2.94Å; I171-Q174 PolarHBondContact O-N 3.17Å; F172-Q174 VanDerWaalsContact C-N 3.33Å; F172-Q174 PolarHBondContact O-N 3.43Å; Q174-L176 VanDerWaalsContact C-N 3.33Å; Q174-L176 PolarHBondContact O-N 3.41Å; Q174-G177 PolarHBondContact O-N 2.64Å; Q174-S178 PolarHBondContact O-N 3.27Å; Q174-S178 PolarHBondContact O-OG 3.28Å
175W86Confident81.8Confident33 Ų3356.1 Ų56.113%0.12531%0.306CS..Hα-helixtrans-55.8-48.4178.5176.660.8000112.2I171 F172 G177 S178 H179 I196 L221 K224 V226I171-W175 PolarHBondContact O-N 3.29Å; F172-W175 AromaticContact CD2-CE3 3.99Å; F172-W175 HydrophobicContact CD2-CE3 3.99Å; F172-W175 HydrophobicContact CD2-CZ3 4.38Å; F172-W175 AromaticContact CE2-CE3 3.77Å; F172-W175 HydrophobicContact CE2-CE3 3.77Å; F172-W175 AromaticContact CE2-CZ3 3.74Å; F172-W175 HydrophobicContact CE2-CZ3 3.74Å; F172-W175 HydrophobicContact CZ-CZ3 4.42Å; F172-W175 PolarHBondContact O-N 3.36Å; W175-G177 VanDerWaalsContact C-N 3.34Å; W175-G177 PolarHBondContact O-N 3.16Å; W175-S178 PolarHBondContact O-N 2.89Å; W175-H179 AromaticContact CD1-CE1 3.31Å; W175-H179 AromaticContact CD1-ND1 3.42Å; W175-H179 AromaticContact NE1-CE1 3.11Å; W175-H179 PolarHBondContact NE1-CE1 3.06Å; W175-H179 AromaticContact NE1-ND1 3.38Å; W175-H179 PolarHBondContact NE1-ND1 2.83Å; W175-H179 AromaticContact NE1-NE2 3.63Å; W175-H179 PolarHBondContact O-N 3.35Å; W175-H179 PolarHBondContact O-ND1 3.25Å; W175-I196 HydrophobicContact CH2-CG2 3.7Å; W175-I196 HydrophobicContact CZ3-CG2 3.52Å; W175-L221 HydrophobicContact CB-CD2 4.17Å; W175-L221 HydrophobicContact CD2-CD2 3.78Å; W175-L221 HydrophobicContact CE3-CD2 3.85Å; W175-L221 HydrophobicContact CG-CD2 3.93Å; W175-K224 HydrophobicContact CZ2-CG 4.43Å; W175-V226 HydrophobicContact CB-CG1 3.64Å; W175-V226 HydrophobicContact CB-CG2 4.37Å; W175-V226 HydrophobicContact CD2-CG2 4.25Å; W175-V226 HydrophobicContact CG-CB 4.42Å; W175-V226 HydrophobicContact CG-CG1 3.86Å; W175-V226 HydrophobicContact CG-CG2 3.67Å
176L86.5Confident81.6Confident11 Ų1166.7 Ų66.76%0.05835%0.346CS..Hα-helixtrans-65-38-179.6-173.461.9000112F172 Q174 H179 K180 I181 W185 L195F172-L176 HydrophobicContact CE1-CD2 3.95Å; F172-L176 HydrophobicContact CZ-CD2 4.37Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 2.83Å; Q174-L176 VanDerWaalsContact C-N 3.33Å; Q174-L176 PolarHBondContact O-N 3.41Å; L176-H179 PolarHBondContact O-N 2.98Å; L176-K180 PolarHBondContact O-N 3.04Å; L176-I181 HydrophobicContact CD1-CD1 4.01Å; L176-I181 HydrophobicContact CD1-CG1 4.27Å; L176-I181 HydrophobicContact CD2-CD1 3.71Å; L176-I181 HydrophobicContact CG-CD1 3.74Å; L176-I181 HydrophobicContact CG-CG1 4.06Å; L176-I181 PolarHBondContact O-N 3.4Å; L176-W185 HydrophobicContact CD2-CB 3.7Å; L176-W185 HydrophobicContact CD2-CD2 4.04Å; L176-W185 HydrophobicContact CD2-CG 3.54Å; L176-L195 HydrophobicContact CD1-CD1 4.41Å; L176-L195 HydrophobicContact CD2-CD1 3.72Å
177G81.6Confident81.6Confident43 Ų4367.3 Ų67.344%0.44335%0.352SS..Hα-helixtrans-61.9-43.6172.900000112.8Q173 Q174 W175 H179Q173-G177 PolarHBondContact O-N 3.45Å; Q174-G177 PolarHBondContact O-N 2.64Å; W175-G177 VanDerWaalsContact C-N 3.34Å; W175-G177 PolarHBondContact O-N 3.16Å; G177-H179 PolarHBondContact O-N 2.86Å
178S75.5Confident81.7Confident88 Ų8868 Ų6862%0.61536%0.363SS*.Hα-helixtrans-66.4-14175.7-61.20000114.4Q174 W175Q174-S178 PolarHBondContact O-N 3.27Å; Q174-S178 PolarHBondContact O-OG 3.28Å; W175-S178 PolarHBondContact O-N 2.89Å
179H67.2Low81.8Confident118 Ų11868.4 Ų68.455%0.54637%0.365SS..Hα-helixtrans-113.4-42-174.8-73.275.6000114.7W175 L176 G177W175-H179 AromaticContact CD1-CE1 3.31Å; W175-H179 AromaticContact CD1-ND1 3.42Å; W175-H179 AromaticContact NE1-CE1 3.11Å; W175-H179 PolarHBondContact NE1-CE1 3.06Å; W175-H179 AromaticContact NE1-ND1 3.38Å; W175-H179 PolarHBondContact NE1-ND1 2.83Å; W175-H179 AromaticContact NE1-NE2 3.63Å; W175-H179 PolarHBondContact O-N 3.35Å; W175-H179 PolarHBondContact O-ND1 3.25Å; L176-H179 PolarHBondContact O-N 2.98Å; G177-H179 PolarHBondContact O-N 2.86Å
180K62.4Low81.9Confident183 Ų18371.8 Ų71.880%0.79638%0.38SS*.THydrogen-bonded Turntrans-148-14-164-67.2-171.4-179.1179.10118.3L176L176-K180 PolarHBondContact O-N 3.04Å
181I61.2Low82.1Confident63 Ų6374.1 Ų74.132%0.32339%0.389SS..  trans-137.4114-168.1-42.6-174.2000112.7L176 Q183L176-I181 HydrophobicContact CD1-CD1 4.01Å; L176-I181 HydrophobicContact CD1-CG1 4.27Å; L176-I181 HydrophobicContact CD2-CD1 3.71Å; L176-I181 HydrophobicContact CG-CD1 3.74Å; L176-I181 HydrophobicContact CG-CG1 4.06Å; L176-I181 PolarHBondContact O-N 3.4Å; I181-Q183 HydrophobicContact CG2-CB 4.26Å; I181-Q183 WeakPolarHBondContact CG2-O 3.32Å; I181-Q183 PolarHBondContact O-N 2.99Å
182G56.9Low82.4Confident92 Ų9274 Ų7495%0.94839%0.388SS*.SBendtrans-75.51117400000115.3
183Q63.6Low82.7Confident166 Ų16674 Ų7478%0.77639%0.388SS*.SBendtrans-129.1146177.9-64.3-17120.900109.9I181 W185I181-Q183 HydrophobicContact CG2-CB 4.26Å; I181-Q183 WeakPolarHBondContact CG2-O 3.32Å; I181-Q183 PolarHBondContact O-N 2.99Å; Q183-W185 PolarHBondContact O-N 2.97Å
184K75.8Confident83Confident161 Ų16175.4 Ų75.470%0.740%0.397SS*.  trans-66.7104.8-179.9-173.3173.8-175.6174.20110.9R186K184-R186 WeakPolarHBondContact O-CG 3.45Å
185W86.5Confident83.4Confident37 Ų3777.3 Ų77.314%0.1441%0.408CS..  trans-60137.3176.1174.290.1000112.2W138 K169 F172 Q173 L176 Q183 G187 G188 D191 A192 L195W138-W185 HydrophobicContact CH2-CH2 4.02Å; W138-W185 HydrophobicContact CH2-CZ3 4.13Å; W138-W185 AromaticContact CZ2-CH2 3.95Å; W138-W185 HydrophobicContact CZ2-CH2 3.95Å; W138-W185 HydrophobicContact CZ2-CZ3 4.16Å; K169-W185 HydrophobicContact CG-CZ3 4.26Å; F172-W185 AromaticContact CD1-CE3 3.99Å; F172-W185 HydrophobicContact CD1-CE3 3.99Å; F172-W185 AromaticContact CD1-CH2 3.91Å; F172-W185 HydrophobicContact CD1-CH2 3.91Å; F172-W185 HydrophobicContact CD1-CZ2 4.45Å; F172-W185 AromaticContact CD1-CZ3 3.65Å; F172-W185 HydrophobicContact CD1-CZ3 3.65Å; F172-W185 HydrophobicContact CE1-CD2 4.17Å; F172-W185 HydrophobicContact CE1-CE3 4.05Å; F172-W185 AromaticContact CE1-CH2 3.73Å; F172-W185 HydrophobicContact CE1-CH2 3.73Å; F172-W185 AromaticContact CE1-CZ2 3.83Å; F172-W185 HydrophobicContact CE1-CZ2 3.83Å; F172-W185 AromaticContact CE1-CZ3 3.84Å; F172-W185 HydrophobicContact CE1-CZ3 3.84Å; Q173-W185 HydrophobicContact CG-CE3 3.84Å; Q173-W185 HydrophobicContact CG-CZ3 4.43Å; Q173-W185 PolarHBondContact NE2-O 3.44Å; L176-W185 HydrophobicContact CD2-CB 3.7Å; L176-W185 HydrophobicContact CD2-CD2 4.04Å; L176-W185 HydrophobicContact CD2-CG 3.54Å; Q183-W185 PolarHBondContact O-N 2.97Å; W185-G187 VanDerWaalsContact CH2-C 3.42Å; W185-G187 VanDerWaalsContact CH2-O 3.25Å; W185-G187 WeakPolarHBondContact CH2-O 3.49Å; W185-G187 VanDerWaalsContact CZ2-CA 3.43Å; W185-G187 WeakPolarHBondContact CZ3-O 3.26Å; W185-G188 WeakPolarHBondContact CH2-O 3.33Å; W185-D191 HydrophobicContact CZ2-CB 3.71Å; W185-A192 HydrophobicContact CH2-CB 3.76Å; W185-A192 HydrophobicContact CZ2-CB 4.09Å; W185-L195 HydrophobicContact CZ2-CD1 4.22Å; W185-L195 VanDerWaalsContact NE1-CD1 3.32Å
186R87.4Confident83.8Confident223 Ų22376.9 Ų76.984%0.84241%0.408SS*.  trans-118.93-171-60.1-169.1-179.4-168-0.1115.6K184K184-R186 WeakPolarHBondContact O-CG 3.45Å
187G93.1Very high84.2Confident15 Ų1579.3 Ų79.316%0.15544%0.436CS..  trans-64.2172.2-173.800000115.5K169 W185 D191K169-G187 WeakPolarHBondContact CE-O 3.36Å; K169-G187 PolarHBondContact NZ-O 2.77Å; W185-G187 VanDerWaalsContact CH2-C 3.42Å; W185-G187 VanDerWaalsContact CH2-O 3.25Å; W185-G187 WeakPolarHBondContact CH2-O 3.49Å; W185-G187 VanDerWaalsContact CZ2-CA 3.43Å; W185-G187 WeakPolarHBondContact CZ3-O 3.26Å; G187-D191 VanDerWaalsContact CA-OD2 3.27Å; G187-D191 WeakPolarHBondContact CA-OD2 3.32Å
188G95.3Very high84.9Confident29 Ų2979.6 Ų79.630%0.29943%0.427SS..  trans-88.4-176.9172.800000113.2W185 K190 D191 A192W185-G188 WeakPolarHBondContact CH2-O 3.33Å; G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 3.3Å; G188-D191 PolarHBondContact N-OD2 3.33Å; G188-D191 WeakPolarHBondContact O-CB 3.48Å; G188-D191 PolarHBondContact O-N 2.81Å; G188-D191 VanDerWaalsContact O-N 3.12Å; G188-A192 PolarHBondContact O-N 3.04Å; G188-A192 VanDerWaalsContact O-N 3.07Å
189L97.2Very high86Confident9 Ų982.1 Ų82.15%0.04743%0.429CS..Hα-helixtrans-58.1-45179176.258.3000111.6W138 D191 A192 L193 F200 D210 N213 T214 L217W138-L189 HydrophobicContact CD2-CB 4.07Å; W138-L189 HydrophobicContact CD2-CD1 4.09Å; W138-L189 HydrophobicContact CE3-CD1 3.97Å; W138-L189 HydrophobicContact CG-CB 4.21Å; W138-L189 HydrophobicContact CZ2-CB 4.35Å; W138-L189 HydrophobicContact CZ3-CD1 4.31Å; L189-D191 VanDerWaalsContact C-N 3.29Å; L189-D191 PolarHBondContact O-N 3.48Å; L189-A192 WeakPolarHBondContact O-CB 3.41Å; L189-A192 PolarHBondContact O-N 3.25Å; L189-A192 VanDerWaalsContact O-N 3.12Å; L189-L193 HydrophobicContact CG-CD1 4.37Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.97Å; L189-F200 HydrophobicContact CD2-CE2 4.14Å; L189-F200 HydrophobicContact CG-CE2 4.45Å; L189-D210 HydrophobicContact CD2-CB 4.17Å; L189-D210 WeakPolarHBondContact CD2-O 3.48Å; L189-N213 HydrophobicContact CD2-CB 3.92Å; L189-N213 HydrophobicContact CG-CB 4.39Å; L189-T214 VanDerWaalsContact CD2-OG1 3.24Å; L189-T214 WeakPolarHBondContact CD2-OG1 3.49Å; L189-L217 HydrophobicContact CD1-CD2 3.9Å
190K97.2Very high87.5Confident113 Ų11378 Ų7849%0.49141%0.409SS..Hα-helixtrans-55.3-40.7174.2-177.5173.7179.11790113G188 N194 F200G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 3.3Å; K190-N194 PolarHBondContact O-N 3.11Å; K190-N194 PolarHBondContact O-ND2 3.5Å; K190-F200 HydrophobicContact CB-CD2 4.2Å; K190-F200 HydrophobicContact CG-CB 4.21Å
191D95.9Very high89.2Confident75 Ų7574.6 Ų74.640%0.40140%0.396SS..Hα-helixtrans-70-37.4178.3-58.3-42.1000111.6W185 G187 G188 L189 N194 L195W185-D191 HydrophobicContact CZ2-CB 3.71Å; G187-D191 VanDerWaalsContact CA-OD2 3.27Å; G187-D191 WeakPolarHBondContact CA-OD2 3.32Å; G188-D191 PolarHBondContact N-OD2 3.33Å; G188-D191 WeakPolarHBondContact O-CB 3.48Å; G188-D191 PolarHBondContact O-N 2.81Å; G188-D191 VanDerWaalsContact O-N 3.12Å; L189-D191 VanDerWaalsContact C-N 3.29Å; L189-D191 PolarHBondContact O-N 3.48Å; D191-N194 PolarHBondContact O-N 3.06Å; D191-L195 WeakPolarHBondContact O-CG 3.27Å; D191-L195 PolarHBondContact O-N 2.77Å
192A95.8Very high90.9Very high0 Ų074.4 Ų74.40%041%0.41CS..Hα-helixtrans-64.1-43.1175.900000112W138 F172 W185 G188 L189 L195 I196 L217W138-A192 HydrophobicContact CH2-CB 3.67Å; W138-A192 HydrophobicContact CZ2-CB 4.32Å; W138-A192 HydrophobicContact CZ3-CB 4.39Å; F172-A192 HydrophobicContact CD1-CB 3.83Å; F172-A192 HydrophobicContact CD2-CB 4.24Å; F172-A192 HydrophobicContact CE1-CB 3.49Å; F172-A192 VanDerWaalsContact CE1-CB 3.49Å; F172-A192 HydrophobicContact CE2-CB 3.93Å; F172-A192 HydrophobicContact CG-CB 4.2Å; F172-A192 HydrophobicContact CZ-CB 3.55Å; W185-A192 HydrophobicContact CH2-CB 3.76Å; W185-A192 HydrophobicContact CZ2-CB 4.09Å; G188-A192 PolarHBondContact O-N 3.04Å; G188-A192 VanDerWaalsContact O-N 3.07Å; L189-A192 WeakPolarHBondContact O-CB 3.41Å; L189-A192 PolarHBondContact O-N 3.25Å; L189-A192 VanDerWaalsContact O-N 3.12Å; A192-L195 PolarHBondContact O-N 2.9Å; A192-I196 PolarHBondContact O-N 3.5Å; A192-L217 HydrophobicContact CB-CD1 4.47Å; A192-L217 HydrophobicContact CB-CD2 3.68Å
193L97.4Very high92.9Very high0 Ų074.2 Ų74.20%038%0.38CS..Hα-helixtrans-59.7-50.1173.8-65.4166.9000111.2L189 L195 I196 G197 L198 F200 N213 L217L189-L193 HydrophobicContact CG-CD1 4.37Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.97Å; L193-L195 VanDerWaalsContact C-N 3.26Å; L193-L195 PolarHBondContact O-N 2.74Å; L193-I196 CarbonylContact O-C 3.53Å; L193-I196 WeakPolarHBondContact O-CG1 3.26Å; L193-I196 PolarHBondContact O-N 3.2Å; L193-G197 PolarHBondContact O-N 3.08Å; L193-L198 CarbonylContact C-O 3Å; L193-L198 HydrophobicContact CB-CB 4.13Å; L193-L198 WeakPolarHBondContact CB-O 3.5Å; L193-L198 HydrophobicContact CD2-CB 4.13Å; L193-L198 HydrophobicContact CD2-CD1 4.11Å; L193-L198 PolarHBondContact O-N 2.93Å; L193-F200 HydrophobicContact CD1-CB 4.1Å; L193-F200 HydrophobicContact CD1-CD2 3.77Å; L193-F200 HydrophobicContact CD1-CG 4.3Å; L193-N213 HydrophobicContact CD1-CB 3.87Å; L193-N213 WeakPolarHBondContact CD1-OD1 3.33Å; L193-L217 HydrophobicContact CD2-CB 4.08Å
194N96.2Very high94.4Very high77 Ų7768.4 Ų68.441%0.41236%0.357SS..Hα-helixtrans-57.5-40.3179.5-72.1-28.7000111.6K190 D191 I196 G197 L198K190-N194 PolarHBondContact O-N 3.11Å; K190-N194 PolarHBondContact O-ND2 3.5Å; D191-N194 PolarHBondContact O-N 3.06Å; N194-I196 VanDerWaalsContact C-N 3.25Å; N194-I196 PolarHBondContact O-N 3.37Å; N194-G197 PolarHBondContact O-N 2.93Å; N194-G197 VanDerWaalsContact O-N 3.14Å; N194-L198 WeakPolarHBondContact CA-O 3.37Å; N194-L198 PolarHBondContact N-O 3.3Å
195L93.6Very high95.4Very high88 Ų8864.8 Ų64.846%0.46134%0.343SS..Hα-helixtrans-64.5-24.5177.1-77.5173.9000114.3F172 L176 W185 D191 A192 L193F172-L195 HydrophobicContact CE1-CD1 4.2Å; F172-L195 HydrophobicContact CZ-CB 4.22Å; F172-L195 HydrophobicContact CZ-CD1 4.07Å; L176-L195 HydrophobicContact CD1-CD1 4.41Å; L176-L195 HydrophobicContact CD2-CD1 3.72Å; W185-L195 HydrophobicContact CZ2-CD1 4.22Å; W185-L195 VanDerWaalsContact NE1-CD1 3.32Å; D191-L195 WeakPolarHBondContact O-CG 3.27Å; D191-L195 PolarHBondContact O-N 2.77Å; A192-L195 PolarHBondContact O-N 2.9Å; L193-L195 VanDerWaalsContact C-N 3.26Å; L193-L195 PolarHBondContact O-N 2.74Å
196I92.9Very high96Very high23 Ų2365.1 Ų65.112%0.11834%0.344CS..THydrogen-bonded Turntrans-98.97.2175.665.2162.1000113.6F172 W175 A192 L193 N194 L198 L217 H220F172-I196 HydrophobicContact CE2-CG2 3.97Å; W175-I196 HydrophobicContact CH2-CG2 3.7Å; W175-I196 HydrophobicContact CZ3-CG2 3.52Å; A192-I196 PolarHBondContact O-N 3.5Å; L193-I196 CarbonylContact O-C 3.53Å; L193-I196 WeakPolarHBondContact O-CG1 3.26Å; L193-I196 PolarHBondContact O-N 3.2Å; N194-I196 VanDerWaalsContact C-N 3.25Å; N194-I196 PolarHBondContact O-N 3.37Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.64Å; I196-L198 HydrophobicContact CD1-CG 3.92Å; I196-L198 HydrophobicContact CG1-CB 4.28Å; I196-L198 HydrophobicContact CG1-CD1 4.3Å; I196-L198 HydrophobicContact CG1-CG 4.05Å; I196-L217 HydrophobicContact CD1-CD1 3.56Å; I196-L217 HydrophobicContact CG1-CD1 4.31Å; I196-H220 HydrophobicContact CD1-CB 3.58Å; I196-H220 VanDerWaalsContact CD1-CG 3.49Å
197G95.8Very high96.5Very high62 Ų6254.5 Ų54.564%0.63930%0.304SS*.THydrogen-bonded Turntrans77.918.2-179.500000114.6L193 N194L193-G197 PolarHBondContact O-N 3.08Å; N194-G197 PolarHBondContact O-N 2.93Å; N194-G197 VanDerWaalsContact O-N 3.14Å
198L96.9Very high96.7Very high49 Ų4954.1 Ų54.126%0.25730%0.298SS..PPolyproline II helixtrans-102.1145.4171.3-63.3-173.9000110.5L193 N194 I196 R216L193-L198 CarbonylContact C-O 3Å; L193-L198 HydrophobicContact CB-CB 4.13Å; L193-L198 WeakPolarHBondContact CB-O 3.5Å; L193-L198 HydrophobicContact CD2-CB 4.13Å; L193-L198 HydrophobicContact CD2-CD1 4.11Å; L193-L198 PolarHBondContact O-N 2.93Å; N194-L198 WeakPolarHBondContact CA-O 3.37Å; N194-L198 PolarHBondContact N-O 3.3Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.64Å; I196-L198 HydrophobicContact CD1-CG 3.92Å; I196-L198 HydrophobicContact CG1-CB 4.28Å; I196-L198 HydrophobicContact CG1-CD1 4.3Å; I196-L198 HydrophobicContact CG1-CG 4.05Å; L198-R216 HydrophobicContact CD1-CB 4.19Å
199H97.5Very high96.9Very high142 Ų14254 Ų5466%0.65729%0.291SS*.PPolyproline II helixtrans-94.4150.8166.3-60.4-51.9000110.4R216H199-R216 PolarHBondContact O-NH1 2.76Å; H199-R216 PolarHBondContact O-NH2 2.84Å
200F98.4Very high97Very high31 Ų3154.1 Ų54.114%0.13629%0.291CS..PPolyproline II helixtrans-66129.6171.7-167.6-76000109.8L189 K190 L193 R203 P204 D209 D210 N213L189-F200 HydrophobicContact CD2-CE2 4.14Å; L189-F200 HydrophobicContact CG-CE2 4.45Å; K190-F200 HydrophobicContact CB-CD2 4.2Å; K190-F200 HydrophobicContact CG-CB 4.21Å; L193-F200 HydrophobicContact CD1-CB 4.1Å; L193-F200 HydrophobicContact CD1-CD2 3.77Å; L193-F200 HydrophobicContact CD1-CG 4.3Å; F200-R203 VanDerWaalsContact CE1-C 3.48Å; F200-P204 HydrophobicContact CD1-CG 3.87Å; F200-P204 HydrophobicContact CE1-CB 4.28Å; F200-P204 HydrophobicContact CE1-CG 3.85Å; F200-P204 HydrophobicContact CG-CG 4.27Å; F200-P204 HydrophobicContact CZ-CB 4.18Å; F200-P204 HydrophobicContact CZ-CG 4.21Å; F200-D209 HydrophobicContact CE1-CB 4.46Å; F200-D210 WeakPolarHBondContact CE2-OD1 3.38Å; F200-D210 VanDerWaalsContact CZ-OD1 3.24Å; F200-D210 WeakPolarHBondContact CZ-OD1 3.45Å; F200-N213 HydrophobicContact CD2-CB 4.16Å; F200-N213 WeakPolarHBondContact CE1-ND2 3.4Å; F200-N213 HydrophobicContact CE2-CB 3.89Å; F200-N213 HydrophobicContact CZ-CB 4.32Å; F200-N213 VanDerWaalsContact CZ-ND2 3.34Å; F200-N213 WeakPolarHBondContact CZ-ND2 3.48Å
201E98.4Very high97Very high112 Ų11248.7 Ų48.752%0.52327%0.268SS..PPolyproline II helixtrans-102.4138.1177.8-73.8169.4-16900110.5N213 R216E201-N213 PolarHBondContact N-OD1 3.45Å; E201-N213 PolarHBondContact O-ND2 3.06Å; E201-R216 VanDerWaalsContact CD-NE 3.28Å; E201-R216 IonicContact OE1-CZ 3.14Å; E201-R216 IonicContact OE1-NE 3.23Å; E201-R216 PolarHBondContact OE1-NE 2.74Å; E201-R216 IonicContact OE1-NH2 2.65Å; E201-R216 PolarHBondContact OE1-NH2 3.32Å; E201-R216 WeakPolarHBondContact OE2-CD 3.36Å; E201-R216 IonicContact OE2-CZ 3.56Å; E201-R216 IonicContact OE2-NE 3.14Å; E201-R216 PolarHBondContact OE2-NE 2.7Å; E201-R216 VanDerWaalsContact OE2-NE 3.14Å; E201-R216 IonicContact OE2-NH2 3.87Å
202G97.7Very high97.2Very high59 Ų5949.8 Ų49.861%0.60827%0.266SS*.SBendtrans79.6-153.8-176.200000113.3D209G202-D209 WeakPolarHBondContact CA-OD2 3.33Å
203R97.4Very high97.3Very high87 Ų8749.9 Ų49.933%0.32827%0.267SS..  trans-102.2124.3-176.6-168.3-166.1-176.8-731.9110.7N89 L90 T91 G92 F200 R206 D209N89-R203 PolarHBondContact O-NH2 2.72Å; L90-R203 PolarHBondContact O-NH1 3.14Å; L90-R203 PolarHBondContact O-NH2 2.9Å; T91-R203 VanDerWaalsContact C-CZ 3.44Å; T91-R203 PolarHBondContact O-NH1 2.82Å; T91-R203 VanDerWaalsContact O-NH1 3.13Å; G92-R203 VanDerWaalsContact N-CZ 3.31Å; G92-R203 VanDerWaalsContact N-NH2 3.19Å; F200-R203 VanDerWaalsContact CE1-C 3.48Å; R203-R206 HydrophobicContact CB-CB 4.04Å; R203-R206 VanDerWaalsContact O-CB 3.29Å; R203-R206 WeakPolarHBondContact O-CB 3.4Å; R203-R206 PolarHBondContact O-N 3.21Å; R203-D209 PolarHBondContact N-OD2 3.44Å
204P96.9Very high97.4Very high44 Ų4449.9 Ų49.929%0.28627%0.267SS..THydrogen-bonded Turntrans-60.4147.5169.6-22.833.6000111.7F200 R206F200-P204 HydrophobicContact CD1-CG 3.87Å; F200-P204 HydrophobicContact CE1-CB 4.28Å; F200-P204 HydrophobicContact CE1-CG 3.85Å; F200-P204 HydrophobicContact CG-CG 4.27Å; F200-P204 HydrophobicContact CZ-CB 4.18Å; F200-P204 HydrophobicContact CZ-CG 4.21Å; P204-R206 PolarHBondContact O-N 2.91Å
205H96.7Very high97.4Very high85 Ų8546.4 Ų46.439%0.39425%0.249SC..THydrogen-bonded Turntrans59.132.8-171.7-49.1-69.5000113E38 L90 T91 D210E38-H205 VanDerWaalsContact CD-C 3.46Å; E38-H205 VanDerWaalsContact CD-O 3.26Å; E38-H205 WeakPolarHBondContact OE1-CA 3.43Å; L90-H205 VanDerWaalsContact CD1-CD2 3.48Å; L90-H205 WeakPolarHBondContact CD1-CD2 3.4Å; L90-H205 HydrophobicContact CG-CB 4.27Å; L90-H205 WeakPolarHBondContact O-CB 3.4Å; T91-H205 CarbonylContact C-O 3.56Å; T91-H205 WeakPolarHBondContact CA-O 3.41Å; T91-H205 WeakPolarHBondContact CB-O 3.28Å; H205-D210 VanDerWaalsContact CA-OD2 3.25Å; H205-D210 WeakPolarHBondContact CA-OD2 3.31Å; H205-D210 PolarHBondContact N-OD2 3.48Å
206R98Very high97.6Very high45 Ų4544.5 Ų44.517%0.1724%0.235CC..  trans-118.4101.5165174.466.377.9-173.71.4104.5E38 E54 F74 G92 R203 P204 I208 D209 D210E38-R206 PolarHBondContact OE1-N 2.92Å; E54-R206 WeakPolarHBondContact OE2-CD 3.48Å; E54-R206 IonicContact OE2-NH1 3.79Å; E54-R206 PolarHBondContact OE2-NH1 2.77Å; F74-R206 VanDerWaalsContact CE1-NH1 3.31Å; G92-R206 PolarHBondContact O-NH2 3.38Å; R203-R206 HydrophobicContact CB-CB 4.04Å; R203-R206 VanDerWaalsContact O-CB 3.29Å; R203-R206 WeakPolarHBondContact O-CB 3.4Å; R203-R206 PolarHBondContact O-N 3.21Å; P204-R206 PolarHBondContact O-N 2.91Å; R206-I208 HydrophobicContact CG-CG2 4.06Å; R206-I208 PolarHBondContact O-N 3.27Å; R206-D209 HydrophobicContact CB-CB 4.37Å; R206-D209 WeakPolarHBondContact O-CA 3.39Å; R206-D209 WeakPolarHBondContact O-CB 3.3Å; R206-D209 PolarHBondContact O-N 2.88Å; R206-D210 PolarHBondContact N-OD2 2.64Å; R206-D210 PolarHBondContact O-N 2.88Å
207G98.1Very high97.8Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-50.8-34.8-165.100000115D36 E38 P56 D209 D210 A211D36-G207 WeakPolarHBondContact O-CA 3.31Å; E38-G207 PolarHBondContact OE1-N 2.96Å; P56-G207 WeakPolarHBondContact CG-O 3.43Å; G207-D209 PolarHBondContact O-N 3.46Å; G207-D210 PolarHBondContact O-N 2.83Å; G207-A211 WeakPolarHBondContact O-CB 3.38Å; G207-A211 PolarHBondContact O-N 2.74Å
208I98.4Very high97.8Very high7 Ų740.5 Ų40.54%0.03620%0.199CC..Hα-helixtrans-65.8-35.2174.7-16661.6000113.7E54 P56 V58 Q72 R206 R212E54-I208 PolarHBondContact OE1-N 3.1Å; E54-I208 VanDerWaalsContact OE1-N 3.17Å; P56-I208 HydrophobicContact CB-CB 3.96Å; P56-I208 HydrophobicContact CB-CD1 3.81Å; P56-I208 HydrophobicContact CB-CG1 4.49Å; V58-I208 HydrophobicContact CG1-CD1 3.59Å; Q72-I208 HydrophobicContact CB-CD1 4.49Å; Q72-I208 HydrophobicContact CG-CB 4.35Å; R206-I208 HydrophobicContact CG-CG2 4.06Å; R206-I208 PolarHBondContact O-N 3.27Å; I208-R212 WeakPolarHBondContact O-CD 3.34Å; I208-R212 WeakPolarHBondContact O-CG 3.35Å; I208-R212 PolarHBondContact O-N 3.12Å
209D98.6Very high97.7Very high26 Ų2640.9 Ų40.914%0.13920%0.202CC..Hα-helixtrans-78-40176.4-70.5-17.2000110.5F200 G202 R203 R206 G207 R212 N213F200-D209 HydrophobicContact CE1-CB 4.46Å; G202-D209 WeakPolarHBondContact CA-OD2 3.33Å; R203-D209 PolarHBondContact N-OD2 3.44Å; R206-D209 HydrophobicContact CB-CB 4.37Å; R206-D209 WeakPolarHBondContact O-CA 3.39Å; R206-D209 WeakPolarHBondContact O-CB 3.3Å; R206-D209 PolarHBondContact O-N 2.88Å; G207-D209 PolarHBondContact O-N 3.46Å; D209-R212 WeakPolarHBondContact O-CB 3.47Å; D209-R212 PolarHBondContact O-N 3.34Å; D209-R212 IonicContact OD1-NH1 3.1Å; D209-R212 PolarHBondContact OD1-NH1 3.2Å; D209-N213 WeakPolarHBondContact O-CB 3.44Å; D209-N213 PolarHBondContact O-N 2.79Å; D209-N213 PolarHBondContact O-ND2 3.43Å
210D98.6Very high97.4Very high11 Ų1135.9 Ų35.96%0.05918%0.178CC..Hα-helixtrans-62.3-42.2172.5-73.3-75.8000111.9D36 L189 F200 H205 R206 G207 R212 N213 T214D36-D210 HydrophobicContact CB-CB 3.99Å; L189-D210 HydrophobicContact CD2-CB 4.17Å; L189-D210 WeakPolarHBondContact CD2-O 3.48Å; F200-D210 WeakPolarHBondContact CE2-OD1 3.38Å; F200-D210 VanDerWaalsContact CZ-OD1 3.24Å; F200-D210 WeakPolarHBondContact CZ-OD1 3.45Å; H205-D210 VanDerWaalsContact CA-OD2 3.25Å; H205-D210 WeakPolarHBondContact CA-OD2 3.31Å; H205-D210 PolarHBondContact N-OD2 3.48Å; R206-D210 PolarHBondContact N-OD2 2.64Å; R206-D210 PolarHBondContact O-N 2.88Å; G207-D210 PolarHBondContact O-N 2.83Å; D210-R212 PolarHBondContact O-N 3.05Å; D210-N213 PolarHBondContact O-N 3.39Å; D210-T214 WeakPolarHBondContact O-CB 3.37Å; D210-T214 PolarHBondContact O-N 3.13Å; D210-T214 PolarHBondContact O-OG1 3.21Å; D210-T214 VanDerWaalsContact O-OG1 3.06Å
211A98.6Very high97.1Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-61.4-40.3173.400000112.9I34 D36 V58 G207 T214 S215I34-A211 HydrophobicContact CG2-CB 4.41Å; I34-A211 WeakPolarHBondContact CG2-O 3.29Å; D36-A211 HydrophobicContact CB-CB 4.4Å; V58-A211 HydrophobicContact CG1-CB 4.42Å; V58-A211 HydrophobicContact CG2-CB 4.17Å; G207-A211 WeakPolarHBondContact O-CB 3.38Å; G207-A211 PolarHBondContact O-N 2.74Å; A211-T214 PolarHBondContact O-N 2.86Å; A211-S215 PolarHBondContact O-N 3.43Å
212R98.7Very high96.6Very high98 Ų9830.7 Ų30.737%0.3716%0.155SC..Hα-helixtrans-64.5-40.7172.6-73.9165.3176.1155.6-0.9112.2V58 L67 I208 D209 D210 S215 R216V58-R212 HydrophobicContact CG1-CG 4.15Å; L67-R212 HydrophobicContact CD1-CB 4.45Å; L67-R212 HydrophobicContact CD1-CG 3.82Å; I208-R212 WeakPolarHBondContact O-CD 3.34Å; I208-R212 WeakPolarHBondContact O-CG 3.35Å; I208-R212 PolarHBondContact O-N 3.12Å; D209-R212 WeakPolarHBondContact O-CB 3.47Å; D209-R212 PolarHBondContact O-N 3.34Å; D209-R212 IonicContact OD1-NH1 3.1Å; D209-R212 PolarHBondContact OD1-NH1 3.2Å; D210-R212 PolarHBondContact O-N 3.05Å; R212-S215 PolarHBondContact O-N 2.97Å; R212-S215 PolarHBondContact O-OG 3.32Å; R212-R216 WeakPolarHBondContact O-CG 3.48Å; R212-R216 PolarHBondContact O-N 3.47Å
213N98.7Very high96.1Very high1 Ų131.7 Ų31.71%0.00515%0.153CC..Hα-helixtrans-69.9-38.5178-81.6-73.8000112L189 L193 F200 E201 D209 D210 S215 R216 L217L189-N213 HydrophobicContact CD2-CB 3.92Å; L189-N213 HydrophobicContact CG-CB 4.39Å; L193-N213 HydrophobicContact CD1-CB 3.87Å; L193-N213 WeakPolarHBondContact CD1-OD1 3.33Å; F200-N213 HydrophobicContact CD2-CB 4.16Å; F200-N213 WeakPolarHBondContact CE1-ND2 3.4Å; F200-N213 HydrophobicContact CE2-CB 3.89Å; F200-N213 HydrophobicContact CZ-CB 4.32Å; F200-N213 VanDerWaalsContact CZ-ND2 3.34Å; F200-N213 WeakPolarHBondContact CZ-ND2 3.48Å; E201-N213 PolarHBondContact N-OD1 3.45Å; E201-N213 PolarHBondContact O-ND2 3.06Å; D209-N213 WeakPolarHBondContact O-CB 3.44Å; D209-N213 PolarHBondContact O-N 2.79Å; D209-N213 PolarHBondContact O-ND2 3.43Å; D210-N213 PolarHBondContact O-N 3.39Å; N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.94Å; N213-R216 WeakPolarHBondContact O-CB 3.49Å; N213-R216 PolarHBondContact O-N 3.44Å; N213-R216 PolarHBondContact OD1-NH1 2.79Å; N213-L217 PolarHBondContact O-N 2.95Å
214T98.5Very high95.4Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-60.9-37.8170.6-660000111I34 L168 L189 D210 A211 L217 L218I34-T214 HydrophobicContact CG2-CG2 3.37Å; L168-T214 HydrophobicContact CB-CG2 4.48Å; L168-T214 HydrophobicContact CD2-CG2 3.6Å; L168-T214 WeakPolarHBondContact CD2-O 3.49Å; L189-T214 VanDerWaalsContact CD2-OG1 3.24Å; L189-T214 WeakPolarHBondContact CD2-OG1 3.49Å; D210-T214 WeakPolarHBondContact O-CB 3.37Å; D210-T214 PolarHBondContact O-N 3.13Å; D210-T214 PolarHBondContact O-OG1 3.21Å; D210-T214 VanDerWaalsContact O-OG1 3.06Å; A211-T214 PolarHBondContact O-N 2.86Å; T214-L217 PolarHBondContact O-N 3.31Å; T214-L218 VanDerWaalsContact O-CB 3.31Å; T214-L218 WeakPolarHBondContact O-CB 3.25Å; T214-L218 PolarHBondContact O-N 2.93Å
215S97.8Very high94Very high5 Ų535.2 Ų35.24%0.03517%0.171CC..Hα-helixtrans-66.5-37.6173.687.10000113.1A211 R212 N213 L218 L219A211-S215 PolarHBondContact O-N 3.43Å; R212-S215 PolarHBondContact O-N 2.97Å; R212-S215 PolarHBondContact O-OG 3.32Å; N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.94Å; S215-L218 PolarHBondContact O-N 3.48Å; S215-L219 WeakPolarHBondContact O-CB 3.43Å; S215-L219 PolarHBondContact O-N 3.27Å
216R97.8Very high92.4Very high47 Ų4732.4 Ų32.418%0.17716%0.159CC..Hα-helixtrans-64.1-42.9174.7-68.5163.874-117.84.9111.5L198 H199 E201 R212 N213 L219 H220L198-R216 HydrophobicContact CD1-CB 4.19Å; H199-R216 PolarHBondContact O-NH1 2.76Å; H199-R216 PolarHBondContact O-NH2 2.84Å; E201-R216 VanDerWaalsContact CD-NE 3.28Å; E201-R216 IonicContact OE1-CZ 3.14Å; E201-R216 IonicContact OE1-NE 3.23Å; E201-R216 PolarHBondContact OE1-NE 2.74Å; E201-R216 IonicContact OE1-NH2 2.65Å; E201-R216 PolarHBondContact OE1-NH2 3.32Å; E201-R216 WeakPolarHBondContact OE2-CD 3.36Å; E201-R216 IonicContact OE2-CZ 3.56Å; E201-R216 IonicContact OE2-NE 3.14Å; E201-R216 PolarHBondContact OE2-NE 2.7Å; E201-R216 VanDerWaalsContact OE2-NE 3.14Å; E201-R216 IonicContact OE2-NH2 3.87Å; R212-R216 WeakPolarHBondContact O-CG 3.48Å; R212-R216 PolarHBondContact O-N 3.47Å; N213-R216 WeakPolarHBondContact O-CB 3.49Å; N213-R216 PolarHBondContact O-N 3.44Å; N213-R216 PolarHBondContact OD1-NH1 2.79Å; R216-L219 PolarHBondContact O-N 2.98Å; R216-H220 PolarHBondContact O-N 2.69Å; R216-H220 VanDerWaalsContact O-N 3.1Å
217L96.8Very high90.4Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-64.9-44.1174.5-179.457.6000112W138 L168 F172 L189 A192 L193 I196 N213 T214 L219 H220 L221W138-L217 HydrophobicContact CE3-CD2 4.14Å; W138-L217 HydrophobicContact CH2-CD2 4.04Å; W138-L217 HydrophobicContact CZ3-CD2 3.42Å; W138-L217 VanDerWaalsContact CZ3-CD2 3.42Å; L168-L217 HydrophobicContact CD2-CB 4.19Å; L168-L217 HydrophobicContact CD2-CD2 4.16Å; L168-L217 HydrophobicContact CD2-CG 4.08Å; F172-L217 HydrophobicContact CD2-CD1 3.8Å; F172-L217 HydrophobicContact CD2-CD2 4.29Å; F172-L217 HydrophobicContact CD2-CG 4.46Å; F172-L217 HydrophobicContact CE2-CD1 3.92Å; L189-L217 HydrophobicContact CD1-CD2 3.9Å; A192-L217 HydrophobicContact CB-CD1 4.47Å; A192-L217 HydrophobicContact CB-CD2 3.68Å; L193-L217 HydrophobicContact CD2-CB 4.08Å; I196-L217 HydrophobicContact CD1-CD1 3.56Å; I196-L217 HydrophobicContact CG1-CD1 4.31Å; N213-L217 PolarHBondContact O-N 2.95Å; T214-L217 PolarHBondContact O-N 3.31Å; L217-L219 PolarHBondContact O-N 3.36Å; L217-H220 WeakPolarHBondContact O-CB 3.22Å; L217-H220 PolarHBondContact O-N 2.89Å; L217-L221 HydrophobicContact CD1-CD1 4.42Å; L217-L221 HydrophobicContact CD1-CG 4.46Å; L217-L221 HydrophobicContact CG-CD1 4.24Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 2.78Å
218L95.4Very high87.8Confident1 Ų132 Ų321%0.00516%0.16CC..Hα-helixtrans-58.8-46.2175.5172.561.4000111.5F32 I34 L60 V136 L168 T214 S215 H220 L221 L222 L227F32-L218 HydrophobicContact CB-CD2 3.77Å; F32-L218 HydrophobicContact CD1-CD1 4.47Å; F32-L218 HydrophobicContact CD1-CD2 3.78Å; F32-L218 HydrophobicContact CE1-CD1 4.46Å; F32-L218 HydrophobicContact CG-CD2 3.81Å; I34-L218 HydrophobicContact CD1-CD2 4.26Å; I34-L218 HydrophobicContact CG1-CD2 4.08Å; L60-L218 HydrophobicContact CD2-CD2 3.93Å; L60-L218 HydrophobicContact CD2-CG 4.21Å; V136-L218 HydrophobicContact CG2-CD2 4.07Å; L168-L218 HydrophobicContact CD1-CB 4.22Å; L168-L218 HydrophobicContact CD1-CD1 3.83Å; L168-L218 HydrophobicContact CD2-CB 3.92Å; T214-L218 VanDerWaalsContact O-CB 3.31Å; T214-L218 WeakPolarHBondContact O-CB 3.25Å; T214-L218 PolarHBondContact O-N 2.93Å; S215-L218 PolarHBondContact O-N 3.48Å; L218-H220 VanDerWaalsContact C-N 3.31Å; L218-H220 PolarHBondContact O-N 2.92Å; L218-L221 PolarHBondContact O-N 2.64Å; L218-L222 HydrophobicContact CD1-CD1 4.09Å; L218-L222 HydrophobicContact CD1-CG 4.14Å; L218-L222 HydrophobicContact CG-CD1 4Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.33Å; L218-L227 HydrophobicContact CD1-CD1 4.28Å
219L93.9Very high85.2Confident58 Ų5837.4 Ų37.430%0.30418%0.184SC..Hα-helixtrans-61.2-39.6177.5-173.662000111.8L60 S215 R216 L217 L222 S223L60-L219 HydrophobicContact CD2-CB 4.43Å; S215-L219 WeakPolarHBondContact O-CB 3.43Å; S215-L219 PolarHBondContact O-N 3.27Å; R216-L219 PolarHBondContact O-N 2.98Å; L217-L219 PolarHBondContact O-N 3.36Å; L219-L222 PolarHBondContact O-N 2.65Å; L219-S223 WeakPolarHBondContact O-CB 3.31Å; L219-S223 PolarHBondContact O-N 3.5Å
220H92.9Very high81.9Confident37 Ų3740.3 Ų40.317%0.17121%0.211CC..Hα-helixtrans-60-50.5172.5-171.5103.7000111.4I196 R216 L217 L218 L222 S223 K224I196-H220 HydrophobicContact CD1-CB 3.58Å; I196-H220 VanDerWaalsContact CD1-CG 3.49Å; R216-H220 PolarHBondContact O-N 2.69Å; R216-H220 VanDerWaalsContact O-N 3.1Å; L217-H220 WeakPolarHBondContact O-CB 3.22Å; L217-H220 PolarHBondContact O-N 2.89Å; L218-H220 VanDerWaalsContact C-N 3.31Å; L218-H220 PolarHBondContact O-N 2.92Å; H220-L222 VanDerWaalsContact C-N 3.32Å; H220-L222 PolarHBondContact O-N 3.06Å; H220-S223 PolarHBondContact O-N 2.92Å; H220-S223 VanDerWaalsContact O-N 3.1Å; H220-S223 PolarHBondContact O-OG 3.32Å; H220-K224 VanDerWaalsContact CD2-CG 3.45Å; H220-K224 WeakPolarHBondContact CD2-CG 3.25Å; H220-K224 VanDerWaalsContact NE2-CE 3.31Å; H220-K224 WeakPolarHBondContact NE2-CE 3.46Å; H220-K224 VanDerWaalsContact NE2-CG 3.34Å; H220-K224 WeakPolarHBondContact NE2-CG 3.42Å; H220-K224 WeakPolarHBondContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CG 3.24Å; H220-K224 PolarHBondContact O-N 2.9Å
221L90.8Very high78.6Confident0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-63.9-34.7-179.4-66.5170.5000112.8L168 I171 F172 W175 L217 L218 V226 L227L168-L221 HydrophobicContact CD1-CD1 3.83Å; L168-L221 HydrophobicContact CG-CD1 4.23Å; I171-L221 HydrophobicContact CG2-CD1 4.29Å; F172-L221 HydrophobicContact CB-CD1 4.32Å; F172-L221 HydrophobicContact CD2-CD1 4.35Å; F172-L221 HydrophobicContact CD2-CD2 4.22Å; W175-L221 HydrophobicContact CB-CD2 4.17Å; W175-L221 HydrophobicContact CD2-CD2 3.78Å; W175-L221 HydrophobicContact CE3-CD2 3.85Å; W175-L221 HydrophobicContact CG-CD2 3.93Å; L217-L221 HydrophobicContact CD1-CD1 4.42Å; L217-L221 HydrophobicContact CD1-CG 4.46Å; L217-L221 HydrophobicContact CG-CD1 4.24Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 2.78Å; L218-L221 PolarHBondContact O-N 2.64Å; L221-V226 HydrophobicContact CB-CB 4.43Å; L221-V226 HydrophobicContact CB-CG2 4.32Å; L221-V226 HydrophobicContact CD2-CB 4.41Å; L221-V226 HydrophobicContact CD2-CG1 4.35Å; L221-V226 HydrophobicContact CD2-CG2 3.84Å; L221-V226 WeakPolarHBondContact O-CB 3.45Å; L221-V226 WeakPolarHBondContact O-CG2 3.48Å; L221-V226 PolarHBondContact O-N 3.03Å; L221-L227 HydrophobicContact CB-CD1 4.23Å
222L87.7Confident75.5Confident34 Ų3454.4 Ų54.418%0.17831%0.306CS..Hα-helixtrans-63.1-46.3170.3-71.8167.7000111.1F32 L218 L219 H220 K224 N225 L227F32-L222 HydrophobicContact CE2-CD1 4.26Å; F32-L222 HydrophobicContact CZ-CD1 4.43Å; F32-L222 HydrophobicContact CZ-CD2 4.29Å; L218-L222 HydrophobicContact CD1-CD1 4.09Å; L218-L222 HydrophobicContact CD1-CG 4.14Å; L218-L222 HydrophobicContact CG-CD1 4Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.33Å; L219-L222 PolarHBondContact O-N 2.65Å; H220-L222 VanDerWaalsContact C-N 3.32Å; H220-L222 PolarHBondContact O-N 3.06Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.09Å; L222-N225 PolarHBondContact O-N 2.86Å; L222-L227 HydrophobicContact CD2-CB 4.19Å; L222-L227 HydrophobicContact CD2-CD1 3.66Å; L222-L227 HydrophobicContact CG-CD1 3.99Å
223S87Confident74.3Confident79 Ų7952.3 Ų52.355%0.55230%0.303SS*.Hα-helixtrans-67.2-28.4178.580.60000114.1L219 H220 N225L219-S223 WeakPolarHBondContact O-CB 3.31Å; L219-S223 PolarHBondContact O-N 3.5Å; H220-S223 PolarHBondContact O-N 2.92Å; H220-S223 VanDerWaalsContact O-N 3.1Å; H220-S223 PolarHBondContact O-OG 3.32Å; S223-N225 VanDerWaalsContact C-N 3.26Å; S223-N225 PolarHBondContact O-N 2.98Å
224K82.5Confident73Confident115 Ų11554.9 Ų54.950%0.532%0.318SS..THydrogen-bonded Turntrans-84.87.9-177.1-73.1-53.4-176.2-168.50114.5W175 H220 L222 V226W175-K224 HydrophobicContact CZ2-CG 4.43Å; H220-K224 VanDerWaalsContact CD2-CG 3.45Å; H220-K224 WeakPolarHBondContact CD2-CG 3.25Å; H220-K224 VanDerWaalsContact NE2-CE 3.31Å; H220-K224 WeakPolarHBondContact NE2-CE 3.46Å; H220-K224 VanDerWaalsContact NE2-CG 3.34Å; H220-K224 WeakPolarHBondContact NE2-CG 3.42Å; H220-K224 WeakPolarHBondContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CG 3.24Å; H220-K224 PolarHBondContact O-N 2.9Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.09Å; K224-V226 HydrophobicContact CB-CG2 3.75Å; K224-V226 PolarHBondContact O-N 3.1Å; K224-V226 VanDerWaalsContact O-N 3.16Å
225N68.8Low71.6Confident91 Ų9158 Ų5849%0.48734%0.336SS..THydrogen-bonded Turntrans53.837.9179.9-62.1-12000112L222 S223 L227 N228 F229L222-N225 PolarHBondContact O-N 2.86Å; S223-N225 VanDerWaalsContact C-N 3.26Å; S223-N225 PolarHBondContact O-N 2.98Å; N225-L227 VanDerWaalsContact C-N 3.28Å; N225-N228 CarbonylContact C-O 3.56Å; N225-N228 WeakPolarHBondContact CA-O 3.5Å; N225-N228 VanDerWaalsContact CB-O 3.29Å; N225-N228 WeakPolarHBondContact CB-O 3.49Å; N225-N228 CarbonylContact O-C 2.83Å; N225-F229 HydrophobicContact CB-CB 4.39Å; N225-F229 HydrophobicContact CB-CD2 3.97Å; N225-F229 VanDerWaalsContact CG-CD2 3.42Å; N225-F229 WeakPolarHBondContact OD1-CD2 3.22Å; N225-F229 WeakPolarHBondContact OD1-CE2 3.36Å
226V62Low70.1Confident25 Ų2561.1 Ų61.115%0.15235%0.354CS..SBendtrans-76.8-26167.6-1720000109.9I171 W175 L221 K224I171-V226 HydrophobicContact CG2-CG1 4.27Å; W175-V226 HydrophobicContact CB-CG1 3.64Å; W175-V226 HydrophobicContact CB-CG2 4.37Å; W175-V226 HydrophobicContact CD2-CG2 4.25Å; W175-V226 HydrophobicContact CG-CB 4.42Å; W175-V226 HydrophobicContact CG-CG1 3.86Å; W175-V226 HydrophobicContact CG-CG2 3.67Å; L221-V226 HydrophobicContact CB-CB 4.43Å; L221-V226 HydrophobicContact CB-CG2 4.32Å; L221-V226 HydrophobicContact CD2-CB 4.41Å; L221-V226 HydrophobicContact CD2-CG1 4.35Å; L221-V226 HydrophobicContact CD2-CG2 3.84Å; L221-V226 WeakPolarHBondContact O-CB 3.45Å; L221-V226 WeakPolarHBondContact O-CG2 3.48Å; L221-V226 PolarHBondContact O-N 3.03Å; K224-V226 HydrophobicContact CB-CG2 3.75Å; K224-V226 PolarHBondContact O-N 3.1Å; K224-V226 VanDerWaalsContact O-N 3.16Å
227L56.5Low68.4Low8 Ų862 Ų624%0.04237%0.365CS..SBendtrans-118.747.9-163-64.6-178.6000112M1 T4 I171 L218 L221 L222 N225M1-L227 PolarHBondContact N-O 3.22Å; T4-L227 HydrophobicContact CG2-CB 3.91Å; T4-L227 HydrophobicContact CG2-CD1 3.97Å; T4-L227 HydrophobicContact CG2-CD2 3.91Å; T4-L227 HydrophobicContact CG2-CG 4.11Å; T4-L227 PolarHBondContact N-O 3.31Å; T4-L227 WeakPolarHBondContact OG1-CB 3.33Å; T4-L227 PolarHBondContact OG1-O 2.86Å; I171-L227 HydrophobicContact CD1-CD2 4.12Å; I171-L227 HydrophobicContact CG2-CD2 3.66Å; L218-L227 HydrophobicContact CD1-CD1 4.28Å; L221-L227 HydrophobicContact CB-CD1 4.23Å; L222-L227 HydrophobicContact CD2-CB 4.19Å; L222-L227 HydrophobicContact CD2-CD1 3.66Å; L222-L227 HydrophobicContact CG-CD1 3.99Å; N225-L227 VanDerWaalsContact C-N 3.28Å
228N43.6Very low66.5Low28 Ų2866.1 Ų66.115%0.1539%0.389CS..SBendtrans110139.8-148.6-78.416.6000105.3M1 K3 N225M1-N228 PolarHBondContact N-ND2 3.14Å; M1-N228 PolarHBondContact N-OD1 3.42Å; K3-N228 WeakPolarHBondContact CA-OD1 3.34Å; K3-N228 HydrophobicContact CB-CB 4.38Å; K3-N228 WeakPolarHBondContact CB-OD1 3.45Å; K3-N228 WeakPolarHBondContact CG-OD1 3.35Å; K3-N228 PolarHBondContact N-OD1 3.37Å; N225-N228 CarbonylContact C-O 3.56Å; N225-N228 WeakPolarHBondContact CA-O 3.5Å; N225-N228 VanDerWaalsContact CB-O 3.29Å; N225-N228 WeakPolarHBondContact CB-O 3.49Å; N225-N228 CarbonylContact O-C 2.83Å
229F44.2Very low64.4Low122 Ų12270.8 Ų70.854%0.53542%0.417SS..  -161.953.453.9-81.9-88.8000113.8N225 T231N225-F229 HydrophobicContact CB-CB 4.39Å; N225-F229 HydrophobicContact CB-CD2 3.97Å; N225-F229 VanDerWaalsContact CG-CD2 3.42Å; N225-F229 WeakPolarHBondContact OD1-CD2 3.22Å; N225-F229 WeakPolarHBondContact OD1-CE2 3.36Å; F229-T231 PolarHBondContact O-N 2.93Å
230A29Very low62.1Low86 Ų8671.8 Ų71.871%0.71143%0.425SS*.  trans-66.999.4165.700000109.9K3K3-A230 PolarHBondContact NZ-O 2.89Å
231T29.3Very low59.6Low121 Ų12174.7 Ų74.774%0.74245%0.446SS*.  trans-114.888.2164.744.80000108.4F229F229-T231 PolarHBondContact O-N 2.93Å
232S33.3Very low56.7Low187 Ų18781.5 Ų81.5100%1.30849%0.487SS*.  trans-1410154.958.30000104.9

Retrieved 232 of 232 residues in 87.4 ms (Link to these results)

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