A0A077ZMY0_TRITR Loading...

Zf-C2H2 and zf-C2H2 6 and zf-C2H2 4 and zf-H2C2 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMY0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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
1M66.9Low77.3Confident158 Ų15887.5 Ų87.578%0.77845%0.451SS*.  0127.80-74.1-62.7-176.800108E10 F11M1-E10 HydrophobicContact SD-CB 4.39Å; M1-F11 CarbonylContact C-O 3.58Å; M1-F11 WeakPolarHBondContact CA-O 3.45Å
2H74.1Confident75.9Confident77 Ų7788.3 Ų88.336%0.35647%0.466SS..EExtended strand (participates in β ladder)trans-111.5125179-62.8-79000108.8F11 T14 N17H2-F11 PolarHBondContact N-O 3.44Å; H2-F11 WeakPolarHBondContact O-CB 3.4Å; H2-F11 PolarHBondContact O-N 2.8Å; H2-T14 PolarHBondContact CD2-N 3.25Å; H2-T14 WeakPolarHBondContact CE1-CG2 3.41Å; H2-T14 WeakPolarHBondContact ND1-CG2 3.38Å; H2-N17 HydrophobicContact CB-CB 4.29Å
3K80.8Confident75.6Confident113 Ų11384.6 Ų84.649%0.49145%0.451SS..EExtended strand (participates in β ladder)trans-95139.4-176.6-53.7-162.5-179.4-1540110.7T5 L9 E10 N17K3-T5 PolarHBondContact O-N 3.43Å; K3-L9 CarbonylContact C-O 3.46Å; K3-L9 WeakPolarHBondContact CA-O 3.15Å; K3-E10 HydrophobicContact CD-CG 4.33Å; K3-E10 WeakPolarHBondContact CE-OE1 3.12Å; K3-E10 HydrophobicContact CG-CG 4.19Å; K3-E10 IonicContact NZ-OE1 3.53Å; K3-E10 PolarHBondContact NZ-OE1 3.14Å; K3-N17 PolarHBondContact O-ND2 3Å
4C78.6Confident75.1Confident1 Ų184.4 Ų84.41%0.00746%0.455CS..  trans-64.2128.2166.1175.80000109.4I6 C7 N8 L9 F11 N17 H20C4-I6 PolarHBondContact O-N 3.39Å; C4-I6 PolarHBondContact SG-N 3.06Å; C4-C7 PolarHBondContact SG-N 3.16Å; C4-N8 WeakPolarHBondContact O-CA 3.41Å; C4-N8 PolarHBondContact O-N 3.31Å; C4-L9 PolarHBondContact N-O 3.39Å; C4-F11 HydrophobicContact CB-CE2 3.88Å; C4-N17 WeakPolarHBondContact CA-OD1 3.49Å; C4-N17 WeakPolarHBondContact CB-OD1 3.21Å; C4-N17 PolarHBondContact N-OD1 3.38Å; C4-H20 PolarHBondContact SG-CD2 3.31Å; C4-H20 PolarHBondContact SG-NE2 3.08Å
5T76.5Confident74.3Confident127 Ų12783.8 Ų83.878%0.77945%0.451SS*.THydrogen-bonded Turntrans-71.8-15-179.849.70000112.9K3K3-T5 PolarHBondContact O-N 3.43Å
6I77.3Confident73.7Confident93 Ų9382.6 Ų82.648%0.47744%0.444SS..THydrogen-bonded Turntrans-95.6-46.1178.7-60.1178.5000111.9C4 H25 I27C4-I6 PolarHBondContact O-N 3.39Å; C4-I6 PolarHBondContact SG-N 3.06Å; I6-H25 HydrophobicContact CD1-CB 3.37Å; I6-H25 VanDerWaalsContact CD1-CG 3.48Å; I6-H25 WeakPolarHBondContact CG2-ND1 3.41Å; I6-I27 HydrophobicContact CD1-CD1 3.27Å; I6-I27 HydrophobicContact CD1-CG1 3.94Å; I6-I27 HydrophobicContact CG1-CD1 4.11Å
7C83.6Confident73.5Confident48 Ų4879.4 Ų79.432%0.32443%0.427SS..THydrogen-bonded Turntrans-120.24.8-17270.40000115C4 L9 H20C4-C7 PolarHBondContact SG-N 3.16Å; C7-L9 HydrophobicContact CB-CD1 4.35Å; C7-L9 PolarHBondContact O-N 3.46Å; C7-L9 WeakPolarHBondContact SG-CD1 3.32Å; C7-H20 VanDerWaalsContact SG-CE1 3.53Å; C7-H20 PolarHBondContact SG-NE2 3.23Å
8N79.1Confident73.3Confident120 Ų12077.1 Ų77.164%0.64242%0.417SS*.  trans60.110.2177.9-68.6-46.3000116.8C4 E10C4-N8 WeakPolarHBondContact O-CA 3.41Å; C4-N8 PolarHBondContact O-N 3.31Å; N8-E10 PolarHBondContact O-N 3.43Å
9L79.1Confident72.9Confident96 Ų9675 Ų7550%0.50341%0.406SS..  trans-60134.8171.2-95.1127.8000111.1K3 C4 C7 F11K3-L9 CarbonylContact C-O 3.46Å; K3-L9 WeakPolarHBondContact CA-O 3.15Å; C4-L9 PolarHBondContact N-O 3.39Å; C7-L9 HydrophobicContact CB-CD1 4.35Å; C7-L9 PolarHBondContact O-N 3.46Å; C7-L9 WeakPolarHBondContact SG-CD1 3.32Å; L9-F11 HydrophobicContact CB-CE2 3.57Å; L9-F11 HydrophobicContact CB-CZ 3.74Å; L9-F11 VanDerWaalsContact O-CD2 3.24Å; L9-F11 WeakPolarHBondContact O-CD2 3.33Å; L9-F11 VanDerWaalsContact O-CE2 3.24Å; L9-F11 WeakPolarHBondContact O-CE2 3.12Å
10E77.4Confident73Confident101 Ų10172.6 Ų72.647%0.47239%0.392SS..EExtended strand (participates in β ladder)trans-90.1130179.1-57.4-161.7162.200111.6M1 K3 N8M1-E10 HydrophobicContact SD-CB 4.39Å; K3-E10 HydrophobicContact CD-CG 4.33Å; K3-E10 WeakPolarHBondContact CE-OE1 3.12Å; K3-E10 HydrophobicContact CG-CG 4.19Å; K3-E10 IonicContact NZ-OE1 3.53Å; K3-E10 PolarHBondContact NZ-OE1 3.14Å; N8-E10 PolarHBondContact O-N 3.43Å
11F76.9Confident72.9Confident29 Ų2969.6 Ų69.613%0.12738%0.377CS..EExtended strand (participates in β ladder)trans-119142.7179.6-61.9-84.3000111.1M1 H2 C4 L9 S13 L16 N17 H20M1-F11 CarbonylContact C-O 3.58Å; M1-F11 WeakPolarHBondContact CA-O 3.45Å; H2-F11 PolarHBondContact N-O 3.44Å; H2-F11 WeakPolarHBondContact O-CB 3.4Å; H2-F11 PolarHBondContact O-N 2.8Å; C4-F11 HydrophobicContact CB-CE2 3.88Å; L9-F11 HydrophobicContact CB-CE2 3.57Å; L9-F11 HydrophobicContact CB-CZ 3.74Å; L9-F11 VanDerWaalsContact O-CD2 3.24Å; L9-F11 WeakPolarHBondContact O-CD2 3.33Å; L9-F11 VanDerWaalsContact O-CE2 3.24Å; L9-F11 WeakPolarHBondContact O-CE2 3.12Å; F11-S13 PolarHBondContact O-N 2.75Å; F11-L16 HydrophobicContact CB-CB 4.08Å; F11-L16 HydrophobicContact CD1-CB 3.96Å; F11-L16 HydrophobicContact CG-CB 4.34Å; F11-N17 HydrophobicContact CB-CB 4.12Å; F11-N17 HydrophobicContact CD2-CB 3.84Å; F11-N17 HydrophobicContact CG-CB 4.11Å; F11-H20 HydrophobicContact CE1-CB 3.8Å; F11-H20 HydrophobicContact CE2-CB 4.13Å; F11-H20 AromaticContact CE2-CD2 3.61Å; F11-H20 AromaticContact CE2-CG 3.83Å; F11-H20 HydrophobicContact CZ-CB 3.48Å; F11-H20 VanDerWaalsContact CZ-CB 3.48Å; F11-H20 AromaticContact CZ-CD2 3.51Å; F11-H20 AromaticContact CZ-CG 3.24Å; F11-H20 AromaticContact CZ-ND1 3.73Å
12P61Low73Confident97 Ų9766.5 Ų66.563%0.6336%0.36SS*.SBendtrans-74-8.8179.926.1-30.3000113.6L16P12-L16 HydrophobicContact CG-CD1 3.68Å
13S71.8Confident73Confident40 Ų4070.1 Ų70.128%0.2838%0.377SS..SBendtrans-148.2157.2174.8680000111.9F11 L15 L16 N17F11-S13 PolarHBondContact O-N 2.75Å; S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 3.27Å; S13-L16 PolarHBondContact O-N 3.2Å; S13-L16 PolarHBondContact OG-N 3.37Å; S13-N17 PolarHBondContact O-N 3.3Å
14T68.1Low72.8Confident82 Ų8271.1 Ų71.150%0.50338%0.384SS..Hα-helixtrans-58.2-39173.446.40000112.2H2 L16 N17 S18H2-T14 PolarHBondContact CD2-N 3.25Å; H2-T14 WeakPolarHBondContact CE1-CG2 3.41Å; H2-T14 WeakPolarHBondContact ND1-CG2 3.38Å; T14-L16 PolarHBondContact O-N 3.39Å; T14-N17 WeakPolarHBondContact O-CB 3.22Å; T14-N17 PolarHBondContact O-N 2.79Å; T14-S18 PolarHBondContact O-N 2.83Å; T14-S18 PolarHBondContact O-OG 2.64Å; T14-S18 VanDerWaalsContact O-OG 3.12Å
15L64Low72.7Confident75 Ų7574 Ų7439%0.39340%0.397SS..Hα-helixtrans-63.5-40.8-179.2-179.262.8000112.8S13 N17 S18 I19S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 3.27Å; L15-N17 VanDerWaalsContact C-N 3.35Å; L15-S18 PolarHBondContact O-N 3.3Å; L15-I19 HydrophobicContact CD1-CD1 4.48Å; L15-I19 HydrophobicContact CG-CD1 4.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.23Å; L15-I19 PolarHBondContact O-N 3.31Å
16L63.4Low72Confident65 Ų6570.8 Ų70.834%0.3439%0.39SS..Hα-helixtrans-67.7-37.3176.4-80.3164.8000111.8F11 P12 S13 T14 S18 I19 H20F11-L16 HydrophobicContact CB-CB 4.08Å; F11-L16 HydrophobicContact CD1-CB 3.96Å; F11-L16 HydrophobicContact CG-CB 4.34Å; P12-L16 HydrophobicContact CG-CD1 3.68Å; S13-L16 PolarHBondContact O-N 3.2Å; S13-L16 PolarHBondContact OG-N 3.37Å; T14-L16 PolarHBondContact O-N 3.39Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-I19 PolarHBondContact O-N 3.04Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-N 3.41Å
17N71.6Confident70.9Confident28 Ų2869.3 Ų69.315%0.1538%0.382CS..Hα-helixtrans-62.3-41.7172.2-169.520.2000111.4H2 K3 C4 F11 S13 T14 L15 H20 A21H2-N17 HydrophobicContact CB-CB 4.29Å; K3-N17 PolarHBondContact O-ND2 3Å; C4-N17 WeakPolarHBondContact CA-OD1 3.49Å; C4-N17 WeakPolarHBondContact CB-OD1 3.21Å; C4-N17 PolarHBondContact N-OD1 3.38Å; F11-N17 HydrophobicContact CB-CB 4.12Å; F11-N17 HydrophobicContact CD2-CB 3.84Å; F11-N17 HydrophobicContact CG-CB 4.11Å; S13-N17 PolarHBondContact O-N 3.3Å; T14-N17 WeakPolarHBondContact O-CB 3.22Å; T14-N17 PolarHBondContact O-N 2.79Å; L15-N17 VanDerWaalsContact C-N 3.35Å; N17-H20 PolarHBondContact O-N 2.93Å; N17-A21 WeakPolarHBondContact O-CB 3.35Å; N17-A21 PolarHBondContact O-N 3.14Å
18S69.3Low69.1Low37 Ų3774.3 Ų74.326%0.25941%0.406SS..Hα-helixtrans-67.8-38.3178-60.30000113.8T14 L15 L16 A21 Q22T14-S18 PolarHBondContact O-N 2.83Å; T14-S18 PolarHBondContact O-OG 2.64Å; T14-S18 VanDerWaalsContact O-OG 3.12Å; L15-S18 PolarHBondContact O-N 3.3Å; L16-S18 VanDerWaalsContact C-N 3.34Å; S18-A21 PolarHBondContact O-N 3.14Å; S18-Q22 WeakPolarHBondContact O-CG 3.43Å; S18-Q22 PolarHBondContact O-N 3.35Å
19I65.9Low67.2Low38 Ų3871.3 Ų71.320%0.19539%0.392CS..Hα-helixtrans-65.5-45.6174.5-67164.4000110L15 L16 A21 Q22 E23L15-I19 HydrophobicContact CD1-CD1 4.48Å; L15-I19 HydrophobicContact CG-CD1 4.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.23Å; L15-I19 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 3.04Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.3Å; I19-Q22 PolarHBondContact O-N 2.89Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; I19-E23 HydrophobicContact CG2-CG 4.27Å; I19-E23 PolarHBondContact O-N 3.45Å
20H75.2Confident65.2Low27 Ų2773.1 Ų73.113%0.12541%0.406CS..Hα-helixtrans-58.6-42.3173.8165.675.1000111.9C4 C7 F11 L16 N17 Q22 E24 H25C4-H20 PolarHBondContact SG-CD2 3.31Å; C4-H20 PolarHBondContact SG-NE2 3.08Å; C7-H20 VanDerWaalsContact SG-CE1 3.53Å; C7-H20 PolarHBondContact SG-NE2 3.23Å; F11-H20 HydrophobicContact CE1-CB 3.8Å; F11-H20 HydrophobicContact CE2-CB 4.13Å; F11-H20 AromaticContact CE2-CD2 3.61Å; F11-H20 AromaticContact CE2-CG 3.83Å; F11-H20 HydrophobicContact CZ-CB 3.48Å; F11-H20 VanDerWaalsContact CZ-CB 3.48Å; F11-H20 AromaticContact CZ-CD2 3.51Å; F11-H20 AromaticContact CZ-CG 3.24Å; F11-H20 AromaticContact CZ-ND1 3.73Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-N 3.41Å; N17-H20 PolarHBondContact O-N 2.93Å; H20-Q22 VanDerWaalsContact C-N 3.3Å; H20-Q22 PolarHBondContact O-N 3.13Å; H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 3.46Å; H20-H25 AromaticContact CD2-CD2 3.94Å; H20-H25 AromaticContact CD2-NE2 3.88Å; H20-H25 AromaticContact CE1-CD2 4Å; H20-H25 AromaticContact CE1-NE2 3.38Å; H20-H25 PolarHBondContact CE1-NE2 2.74Å; H20-H25 AromaticContact NE2-CD2 3.46Å; H20-H25 PolarHBondContact NE2-CD2 2.85Å; H20-H25 AromaticContact NE2-NE2 2.95Å; H20-H25 PolarHBondContact NE2-NE2 3.06Å
21A71Confident63Low10 Ų1075.9 Ų75.98%0.08342%0.419CS..Hα-helixtrans-62.5-33.9174.800000113.3N17 S18 I19 H25 G26 I27 V29N17-A21 WeakPolarHBondContact O-CB 3.35Å; N17-A21 PolarHBondContact O-N 3.14Å; S18-A21 PolarHBondContact O-N 3.14Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.3Å; A21-H25 CarbonylContact O-C 3.36Å; A21-H25 WeakPolarHBondContact O-CA 3.4Å; A21-H25 WeakPolarHBondContact O-CB 3.17Å; A21-H25 PolarHBondContact O-N 2.73Å; A21-G26 PolarHBondContact O-N 2.77Å; A21-I27 HydrophobicContact CB-CB 4.21Å; A21-I27 HydrophobicContact CB-CD1 3.99Å; A21-I27 PolarHBondContact O-N 3.22Å; A21-V29 HydrophobicContact CB-CG2 4.35Å
22Q68.7Low60.9Low92 Ų9283.5 Ų83.543%0.4346%0.457SS..Hα-helixtrans-75.2-49.5176.4-80176.3-23.800112.7S18 I19 H20 G26 I27 V29S18-Q22 WeakPolarHBondContact O-CG 3.43Å; S18-Q22 PolarHBondContact O-N 3.35Å; I19-Q22 PolarHBondContact O-N 2.89Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; H20-Q22 VanDerWaalsContact C-N 3.3Å; H20-Q22 PolarHBondContact O-N 3.13Å; Q22-G26 WeakPolarHBondContact O-CA 3.19Å; Q22-G26 PolarHBondContact O-N 2.81Å; Q22-I27 WeakPolarHBondContact CG-O 3.46Å; Q22-V29 HydrophobicContact CG-CG2 4.27Å
23E73.5Confident59.8Low153 Ų15386.8 Ų86.872%0.71546%0.462SS*.Hα-helixtrans-77.2-38.8-172.4-67.8-173.2156.800112.8I19I19-E23 HydrophobicContact CG2-CG 4.27Å; I19-E23 PolarHBondContact O-N 3.45Å
24E76.2Confident58.2Low135 Ų13589.8 Ų89.863%0.63148%0.48SS*.Hα-helixtrans-98.3-26.2-174.2-59.8-64.7140.600113.1H20H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 3.46Å
25H77Confident56.6Low60 Ų6092.5 Ų92.528%0.27850%0.497SS..Hα-helixtrans-121.30.5-173.6-55.3-68.6000114.3I6 H20 A21 I27I6-H25 HydrophobicContact CD1-CB 3.37Å; I6-H25 VanDerWaalsContact CD1-CG 3.48Å; I6-H25 WeakPolarHBondContact CG2-ND1 3.41Å; H20-H25 AromaticContact CD2-CD2 3.94Å; H20-H25 AromaticContact CD2-NE2 3.88Å; H20-H25 AromaticContact CE1-CD2 4Å; H20-H25 AromaticContact CE1-NE2 3.38Å; H20-H25 PolarHBondContact CE1-NE2 2.74Å; H20-H25 AromaticContact NE2-CD2 3.46Å; H20-H25 PolarHBondContact NE2-CD2 2.85Å; H20-H25 AromaticContact NE2-NE2 2.95Å; H20-H25 PolarHBondContact NE2-NE2 3.06Å; A21-H25 CarbonylContact O-C 3.36Å; A21-H25 WeakPolarHBondContact O-CA 3.4Å; A21-H25 WeakPolarHBondContact O-CB 3.17Å; A21-H25 PolarHBondContact O-N 2.73Å; H25-I27 HydrophobicContact CB-CD1 4.28Å; H25-I27 HydrophobicContact CB-CG1 4.12Å; H25-I27 PolarHBondContact O-N 3.16Å; H25-I27 VanDerWaalsContact O-N 3.09Å
26G61Low55.7Low61 Ų6194.5 Ų94.563%0.62951%0.512SS*.  trans60.319.7179.300000114.4A21 Q22 N28A21-G26 PolarHBondContact O-N 2.77Å; Q22-G26 WeakPolarHBondContact O-CA 3.19Å; Q22-G26 PolarHBondContact O-N 2.81Å; G26-N28 PolarHBondContact O-N 3.22Å
27I55.3Low54.6Low61 Ų61100.6 Ų100.631%0.31354%0.539SS..  trans-75.4113.8178.3-60.1172.4000108.6I6 A21 Q22 H25 V29I6-I27 HydrophobicContact CD1-CD1 3.27Å; I6-I27 HydrophobicContact CD1-CG1 3.94Å; I6-I27 HydrophobicContact CG1-CD1 4.11Å; A21-I27 HydrophobicContact CB-CB 4.21Å; A21-I27 HydrophobicContact CB-CD1 3.99Å; A21-I27 PolarHBondContact O-N 3.22Å; Q22-I27 WeakPolarHBondContact CG-O 3.46Å; H25-I27 HydrophobicContact CB-CD1 4.28Å; H25-I27 HydrophobicContact CB-CG1 4.12Å; H25-I27 PolarHBondContact O-N 3.16Å; H25-I27 VanDerWaalsContact O-N 3.09Å; I27-V29 VanDerWaalsContact C-N 3.3Å; I27-V29 HydrophobicContact CG2-CG2 4.02Å; I27-V29 PolarHBondContact O-N 3.14Å
28N45.4Very low53.1Low154 Ų154105 Ų10582%0.82457%0.567SS**  trans-67.688.2163.9-91.7-41.9000109.9G26 V30G26-N28 PolarHBondContact O-N 3.22Å; N28-V30 PolarHBondContact O-N 3.38Å
29V39.4Very low52Low57 Ų57106.6 Ų106.635%0.34558%0.582SS.*  trans-74.5117.1169.1-1560000107.8A21 Q22 I27 E31A21-V29 HydrophobicContact CB-CG2 4.35Å; Q22-V29 HydrophobicContact CG-CG2 4.27Å; I27-V29 VanDerWaalsContact C-N 3.3Å; I27-V29 HydrophobicContact CG2-CG2 4.02Å; I27-V29 PolarHBondContact O-N 3.14Å; V29-E31 PolarHBondContact O-N 3.09Å
30V37.4Very low52.2Low134 Ų134110.1 Ų110.181%0.81261%0.606SS**  trans-48.8129.7-178.8179.90000110.9N28 M32N28-V30 PolarHBondContact O-N 3.38Å; V30-M32 PolarHBondContact O-N 3Å
31E31.1Very low51.7Low159 Ų159113.6 Ų113.674%0.74362%0.618SS**  trans-43.7123.5-178.6-66.5178143.900113.4V29 K33V29-E31 PolarHBondContact O-N 3.09Å; E31-K33 VanDerWaalsContact C-N 3.26Å; E31-K33 PolarHBondContact O-N 2.84Å
32M32.9Very low51.6Low189 Ų189117 Ų11793%0.93163%0.63SS**  trans-71.891.2153.2-75.8-171.1149.400107.7V30V30-M32 PolarHBondContact O-N 3Å
33K38Very low51.4Low165 Ų165117.1 Ų117.172%0.71763%0.627SS**  trans-49.2137.8173.6-76.2-178.3176.7178.60110.3E31 T35E31-K33 VanDerWaalsContact C-N 3.26Å; E31-K33 PolarHBondContact O-N 2.84Å; K33-T35 PolarHBondContact O-N 3.31Å
34P38.3Very low51.4Low104 Ų104110.1 Ų110.168%0.67559%0.594SS**  trans-60.2114.7171.3-10.123.2000108V36P34-V36 PolarHBondContact O-N 3.46Å
35T35Very low50.9Low138 Ų138109.1 Ų109.185%0.84760%0.603SS**SBendtrans-71126.4168.1-16.60000106.3K33K33-T35 PolarHBondContact O-N 3.31Å
36V44Very low50.1Low117 Ų117112 Ų11271%0.70962%0.62SS**  trans92.876.7179.1-162.10000115.6P34 T38P34-V36 PolarHBondContact O-N 3.46Å; V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 WeakPolarHBondContact CG1-OG1 3.43Å; V36-T38 PolarHBondContact O-N 2.97Å; V36-T38 VanDerWaalsContact O-N 3.13Å
37Q39.8Very low50.6Low194 Ų194111.9 Ų111.991%0.90761%0.608SS**  trans-72.378.5156.5-74.5175.4-20.400110.3
38T40.6Very low51.3Low121 Ų121111.7 Ų111.774%0.74262%0.621SS**  trans-156.247162.249.80000112.1V36V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 WeakPolarHBondContact CG1-OG1 3.43Å; V36-T38 PolarHBondContact O-N 2.97Å; V36-T38 VanDerWaalsContact O-N 3.13Å
39A47Very low52.4Low69 Ų69110.1 Ų110.157%0.5761%0.607SS**  trans-160131.6171.500000112.4Y41A39-Y41 PolarHBondContact O-N 3.46Å
40T69.3Low53.8Low113 Ų113111.8 Ų111.869%0.69361%0.61SS**SBendtrans-65.114.3175.951.80000114.7
41Y65.6Low55.5Low99 Ų99107.7 Ų107.739%0.38858%0.58SS.*SBendtrans-149.6147.5-173.7-63.3-78.3000111.3A39 Y51A39-Y41 PolarHBondContact O-N 3.46Å; Y41-Y51 CarbonylContact C-O 3.52Å; Y41-Y51 VanDerWaalsContact CA-O 3.24Å; Y41-Y51 WeakPolarHBondContact CA-O 3.46Å
42Y68.4Low57.6Low83 Ų83103.8 Ų103.833%0.32557%0.57SS.*EExtended strand (participates in β ladder)trans-103.2132.1174-54.1-90.1000110K50 Y51 E53 L54 Y57Y42-K50 CarbonylContact O-C 3.22Å; Y42-K50 VanDerWaalsContact O-CA 3.27Å; Y42-K50 WeakPolarHBondContact O-CA 3.48Å; Y42-Y51 PolarHBondContact N-O 3.25Å; Y42-Y51 PolarHBondContact O-N 3.16Å; Y42-E53 VanDerWaalsContact CD2-C 3.49Å; Y42-E53 VanDerWaalsContact CE2-C 3.47Å; Y42-L54 HydrophobicContact CD1-CD1 3.66Å; Y42-L54 HydrophobicContact CD2-CB 4.46Å; Y42-L54 HydrophobicContact CE1-CB 3.94Å; Y42-L54 HydrophobicContact CE1-CD1 3.34Å; Y42-L54 HydrophobicContact CE1-CG 4.12Å; Y42-L54 VanDerWaalsContact CE2-CA 3.42Å; Y42-L54 HydrophobicContact CE2-CB 3.78Å; Y42-L54 HydrophobicContact CG-CD1 4.44Å; Y42-L54 VanDerWaalsContact CZ-CB 3.48Å; Y42-Y57 VanDerWaalsContact CB-CB 3.42Å; Y42-Y57 HydrophobicContact CD1-CD1 4.1Å; Y42-Y57 HydrophobicContact CD1-CG 4.43Å; Y42-Y57 HydrophobicContact CG-CD1 4.16Å; Y42-Y57 HydrophobicContact CG-CG 4.03Å
43Y64.9Low59.5Low94 Ų9499.7 Ų99.737%0.36955%0.549SS..EExtended strand (participates in β ladder)trans-116.8133.2-175.8-62.2-92.8000111.1S45 K49 K50 Y57 E244Y43-S45 PolarHBondContact O-N 3.24Å; Y43-K49 WeakPolarHBondContact CA-O 3.36Å; Y43-K50 HydrophobicContact CD1-CB 3.64Å; Y43-K50 HydrophobicContact CE1-CB 3.58Å; Y43-K50 HydrophobicContact CE1-CD 4.15Å; Y43-K50 HydrophobicContact CG-CB 4.48Å; Y43-Y57 VanDerWaalsContact O-CE2 3.24Å; Y43-Y57 WeakPolarHBondContact O-CE2 3.42Å; Y43-E244 HydrophobicContact CE1-CG 3.94Å; Y43-E244 VanDerWaalsContact OH-CG 3.28Å; Y43-E244 WeakPolarHBondContact OH-CG 3.48Å; Y43-E244 PolarHBondContact OH-OE1 3.19Å
44C72.6Confident61.2Low5 Ų595.1 Ų95.13%0.03453%0.532CS..  trans-78.7120.4172.8-176.20000111.8L46 G48 K49 H60 H64C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 PolarHBondContact SG-N 3.42Å; C44-G48 WeakPolarHBondContact O-CA 3.45Å; C44-G48 PolarHBondContact O-N 3.27Å; C44-K49 PolarHBondContact N-O 3.12Å; C44-H60 VanDerWaalsContact CB-CD2 3.41Å; C44-H60 WeakPolarHBondContact CB-CD2 3.12Å; C44-H60 WeakPolarHBondContact CB-NE2 3.36Å; C44-H60 PolarHBondContact SG-NE2 3.14Å; C44-H64 PolarHBondContact SG-CD2 3.42Å
45S65.3Low62.7Low115 Ų11596.5 Ų96.580%0.80453%0.529SS*.THydrogen-bonded Turntrans-63.7-21.1174.652.40000114.4Y43Y43-S45 PolarHBondContact O-N 3.24Å
46L61.3Low64.4Low121 Ų12194.3 Ų94.363%0.63451%0.511SS*.THydrogen-bonded Turntrans-94.1-26.8-174.4-63.6172.1000114.1C44 H64C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 PolarHBondContact SG-N 3.42Å; L46-H64 HydrophobicContact CB-CB 4.46Å; L46-H64 HydrophobicContact CD1-CB 3.43Å; L46-H64 VanDerWaalsContact CD1-CB 3.43Å
47C70.8Confident65.8Low57 Ų5791.5 Ų91.539%0.38549%0.488SS..THydrogen-bonded Turntrans-135.9-0.1178.172.60000115.6K49 H60 H64C47-K49 PolarHBondContact O-N 3.11Å; C47-K49 WeakPolarHBondContact SG-CG 3.31Å; C47-H60 PolarHBondContact SG-CE1 3.45Å; C47-H60 PolarHBondContact SG-NE2 3.41Å; C47-H64 PolarHBondContact SG-NE2 3.44Å
48G69.2Low67.3Low57 Ų5786.6 Ų86.659%0.58847%0.465SS*.  trans72.18179.900000115.2C44C44-G48 WeakPolarHBondContact O-CA 3.45Å; C44-G48 PolarHBondContact O-N 3.27Å
49K69.9Low68.7Low121 Ų12184.5 Ų84.553%0.52645%0.445SS..  trans-68.1138.4175.9-75-179.9-171.8176.30111Y43 C44 C47 Y51Y43-K49 WeakPolarHBondContact CA-O 3.36Å; C44-K49 PolarHBondContact N-O 3.12Å; C47-K49 PolarHBondContact O-N 3.11Å; C47-K49 WeakPolarHBondContact SG-CG 3.31Å; K49-Y51 HydrophobicContact CB-CE2 3.67Å; K49-Y51 WeakPolarHBondContact CD-OH 3.47Å
50K68.6Low69.9Low92 Ų9282.3 Ų82.340%0.442%0.423SS..EExtended strand (participates in β ladder)trans-107.6151.1177.970.9177.7178.6-178.90112.6Y42 Y43 E244Y42-K50 CarbonylContact O-C 3.22Å; Y42-K50 VanDerWaalsContact O-CA 3.27Å; Y42-K50 WeakPolarHBondContact O-CA 3.48Å; Y43-K50 HydrophobicContact CD1-CB 3.64Å; Y43-K50 HydrophobicContact CE1-CB 3.58Å; Y43-K50 HydrophobicContact CE1-CD 4.15Å; Y43-K50 HydrophobicContact CG-CB 4.48Å; K50-E244 VanDerWaalsContact CD-OE1 3.27Å; K50-E244 WeakPolarHBondContact CD-OE1 3.33Å; K50-E244 IonicContact NZ-OE1 2.64Å; K50-E244 PolarHBondContact NZ-OE1 2.99Å; K50-E244 IonicContact NZ-OE2 2.83Å; K50-E244 PolarHBondContact NZ-OE2 3.36Å
51Y72.6Confident69.9Low48 Ų4877.6 Ų77.619%0.18839%0.394CS..EExtended strand (participates in β ladder)trans-139.8134.8-176-63.4-85.8000109.5Y41 Y42 K49 E53 M56 Y57 H60Y41-Y51 CarbonylContact C-O 3.52Å; Y41-Y51 VanDerWaalsContact CA-O 3.24Å; Y41-Y51 WeakPolarHBondContact CA-O 3.46Å; Y42-Y51 PolarHBondContact N-O 3.25Å; Y42-Y51 PolarHBondContact O-N 3.16Å; K49-Y51 HydrophobicContact CB-CE2 3.67Å; K49-Y51 WeakPolarHBondContact CD-OH 3.47Å; Y51-E53 VanDerWaalsContact C-N 3.32Å; Y51-M56 HydrophobicContact CD1-CB 3.59Å; Y51-M56 HydrophobicContact CE1-CB 4.34Å; Y51-M56 HydrophobicContact CG-CB 4.34Å; Y51-Y57 AromaticContact CD2-CD2 3.98Å; Y51-Y57 HydrophobicContact CD2-CD2 3.98Å; Y51-H60 HydrophobicContact CD2-CB 4.46Å; Y51-H60 HydrophobicContact CE1-CB 3.86Å; Y51-H60 HydrophobicContact CE2-CB 3.61Å; Y51-H60 AromaticContact CE2-CD2 3.23Å; Y51-H60 WeakPolarHBondContact CE2-CD2 3.47Å; Y51-H60 AromaticContact CE2-CG 3.39Å; Y51-H60 AromaticContact CE2-NE2 3.95Å; Y51-H60 AromaticContact CZ-CD2 3.66Å; Y51-H60 AromaticContact CZ-CG 3.27Å; Y51-H60 AromaticContact CZ-ND1 3.85Å; Y51-H60 VanDerWaalsContact OH-CB 3.22Å; Y51-H60 WeakPolarHBondContact OH-CB 3.43Å; Y51-H60 PolarHBondContact OH-ND1 3.19Å
52S74.5Confident70Confident78 Ų7876.3 Ų76.355%0.54539%0.393SS..SBendtrans-77.5-20.4174.746.70000113.1
53E74.7Confident69.9Low103 Ų10373.2 Ų73.248%0.48139%0.387SS..SBendtrans-122.1138.8-174.9-68.3169.6-16000110.6Y42 Y51 Q55 M56 Y57Y42-E53 VanDerWaalsContact CD2-C 3.49Å; Y42-E53 VanDerWaalsContact CE2-C 3.47Å; Y51-E53 VanDerWaalsContact C-N 3.32Å; E53-Q55 VanDerWaalsContact C-N 3.33Å; E53-Q55 PolarHBondContact O-N 3.14Å; E53-M56 HydrophobicContact CB-CB 4.37Å; E53-M56 HydrophobicContact CB-CG 4.15Å; E53-M56 PolarHBondContact O-N 3.26Å; E53-Y57 PolarHBondContact O-N 3.17Å
54L72.8Confident69.9Low68 Ų6872 Ų7236%0.35639%0.385SS..Hα-helixtrans-59.3-45.1-179.9-178.257.5000111.1Y42 M56 Y57 E58Y42-L54 HydrophobicContact CD1-CD1 3.66Å; Y42-L54 HydrophobicContact CD2-CB 4.46Å; Y42-L54 HydrophobicContact CE1-CB 3.94Å; Y42-L54 HydrophobicContact CE1-CD1 3.34Å; Y42-L54 HydrophobicContact CE1-CG 4.12Å; Y42-L54 VanDerWaalsContact CE2-CA 3.42Å; Y42-L54 HydrophobicContact CE2-CB 3.78Å; Y42-L54 HydrophobicContact CG-CD1 4.44Å; Y42-L54 VanDerWaalsContact CZ-CB 3.48Å; L54-M56 VanDerWaalsContact C-N 3.28Å; L54-M56 PolarHBondContact O-N 3.34Å; L54-Y57 HydrophobicContact CD1-CD1 4.13Å; L54-Y57 WeakPolarHBondContact O-CB 3.35Å; L54-Y57 PolarHBondContact O-N 2.76Å; L54-Y57 VanDerWaalsContact O-N 3.11Å; L54-E58 HydrophobicContact CD1-CG 4.05Å; L54-E58 HydrophobicContact CG-CG 4.2Å; L54-E58 WeakPolarHBondContact CG-OE1 3.45Å; L54-E58 WeakPolarHBondContact O-CG 3.5Å; L54-E58 PolarHBondContact O-N 3.32Å
55Q70.4Confident69.1Low134 Ų13477.1 Ų77.163%0.62640%0.403SS*.Hα-helixtrans-58.5-39.3-179.5-67.2-176.40.300112.5E53 K59E53-Q55 VanDerWaalsContact C-N 3.33Å; E53-Q55 PolarHBondContact O-N 3.14Å; Q55-K59 WeakPolarHBondContact O-CB 3.07Å; Q55-K59 VanDerWaalsContact O-CG 3.31Å; Q55-K59 WeakPolarHBondContact O-CG 3.46Å; Q55-K59 PolarHBondContact O-N 3.31Å
56M70.1Confident68.7Low92 Ų9273.3 Ų73.345%0.45337%0.373SS..Hα-helixtrans-71.3-37.4179.1-68.1-70.2-177.700111.6Y51 E53 L54 H60Y51-M56 HydrophobicContact CD1-CB 3.59Å; Y51-M56 HydrophobicContact CE1-CB 4.34Å; Y51-M56 HydrophobicContact CG-CB 4.34Å; E53-M56 HydrophobicContact CB-CB 4.37Å; E53-M56 HydrophobicContact CB-CG 4.15Å; E53-M56 PolarHBondContact O-N 3.26Å; L54-M56 VanDerWaalsContact C-N 3.28Å; L54-M56 PolarHBondContact O-N 3.34Å; M56-H60 VanDerWaalsContact O-CB 3.32Å; M56-H60 WeakPolarHBondContact O-CB 3.4Å; M56-H60 PolarHBondContact O-N 3.08Å
57Y74.2Confident68.2Low58 Ų5871.3 Ų71.323%0.22737%0.367CS..Hα-helixtrans-64-47.7172.3168.3-108.2000112.3Y42 Y43 Y51 E53 L54 K59 H60 T61Y42-Y57 VanDerWaalsContact CB-CB 3.42Å; Y42-Y57 HydrophobicContact CD1-CD1 4.1Å; Y42-Y57 HydrophobicContact CD1-CG 4.43Å; Y42-Y57 HydrophobicContact CG-CD1 4.16Å; Y42-Y57 HydrophobicContact CG-CG 4.03Å; Y43-Y57 VanDerWaalsContact O-CE2 3.24Å; Y43-Y57 WeakPolarHBondContact O-CE2 3.42Å; Y51-Y57 AromaticContact CD2-CD2 3.98Å; Y51-Y57 HydrophobicContact CD2-CD2 3.98Å; E53-Y57 PolarHBondContact O-N 3.17Å; L54-Y57 HydrophobicContact CD1-CD1 4.13Å; L54-Y57 WeakPolarHBondContact O-CB 3.35Å; L54-Y57 PolarHBondContact O-N 2.76Å; L54-Y57 VanDerWaalsContact O-N 3.11Å; Y57-K59 PolarHBondContact O-N 3.21Å; Y57-H60 CarbonylContact O-C 3.18Å; Y57-H60 WeakPolarHBondContact O-CA 3.38Å; Y57-H60 WeakPolarHBondContact O-CB 3.26Å; Y57-H60 PolarHBondContact O-N 2.61Å; Y57-H60 VanDerWaalsContact O-N 3.09Å; Y57-T61 HydrophobicContact CD1-CG2 4.25Å; Y57-T61 HydrophobicContact CD2-CG2 3.86Å; Y57-T61 HydrophobicContact CE1-CG2 3.87Å; Y57-T61 HydrophobicContact CE2-CG2 3.41Å; Y57-T61 VanDerWaalsContact CE2-CG2 3.41Å; Y57-T61 HydrophobicContact CG-CG2 4.25Å; Y57-T61 VanDerWaalsContact CZ-CG2 3.43Å; Y57-T61 VanDerWaalsContact O-CG2 3.25Å; Y57-T61 WeakPolarHBondContact O-CG2 3.38Å; Y57-T61 PolarHBondContact O-N 3.32Å
58E70.7Confident66.8Low90 Ų9077.1 Ų77.142%0.42139%0.389SS..Hα-helixtrans-57.8-51.6178.1-73.4172.4161.900110.7L54 H60 T61 I62L54-E58 HydrophobicContact CD1-CG 4.05Å; L54-E58 HydrophobicContact CG-CG 4.2Å; L54-E58 WeakPolarHBondContact CG-OE1 3.45Å; L54-E58 WeakPolarHBondContact O-CG 3.5Å; L54-E58 PolarHBondContact O-N 3.32Å; E58-H60 PolarHBondContact O-N 3.28Å; E58-T61 PolarHBondContact O-N 2.64Å; E58-T61 PolarHBondContact O-OG1 3.45Å; E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 3.31Å
59K69.1Low65.8Low77 Ų7783 Ų8334%0.33540%0.4SS..Hα-helixtrans-52.1-43.7173.4-76.3-179.9-169.1-177.50111.8Q55 Y57 G63 W85 E87Q55-K59 WeakPolarHBondContact O-CB 3.07Å; Q55-K59 VanDerWaalsContact O-CG 3.31Å; Q55-K59 WeakPolarHBondContact O-CG 3.46Å; Q55-K59 PolarHBondContact O-N 3.31Å; Y57-K59 PolarHBondContact O-N 3.21Å; K59-G63 PolarHBondContact O-N 2.73Å; K59-W85 WeakPolarHBondContact O-CH2 3.13Å; K59-E87 VanDerWaalsContact CE-OE1 3.24Å; K59-E87 WeakPolarHBondContact CE-OE1 3.47Å; K59-E87 IonicContact NZ-OE1 3.68Å; K59-E87 PolarHBondContact NZ-OE1 2.76Å; K59-E87 IonicContact NZ-OE2 3.54Å
60H73.4Confident65Low23 Ų2380 Ų8011%0.10640%0.404CS..Hα-helixtrans-65.7-44.1178.116764.9000113.4C44 C47 Y51 M56 Y57 E58 I62 G63 H64C44-H60 VanDerWaalsContact CB-CD2 3.41Å; C44-H60 WeakPolarHBondContact CB-CD2 3.12Å; C44-H60 WeakPolarHBondContact CB-NE2 3.36Å; C44-H60 PolarHBondContact SG-NE2 3.14Å; C47-H60 PolarHBondContact SG-CE1 3.45Å; C47-H60 PolarHBondContact SG-NE2 3.41Å; Y51-H60 HydrophobicContact CD2-CB 4.46Å; Y51-H60 HydrophobicContact CE1-CB 3.86Å; Y51-H60 HydrophobicContact CE2-CB 3.61Å; Y51-H60 AromaticContact CE2-CD2 3.23Å; Y51-H60 WeakPolarHBondContact CE2-CD2 3.47Å; Y51-H60 AromaticContact CE2-CG 3.39Å; Y51-H60 AromaticContact CE2-NE2 3.95Å; Y51-H60 AromaticContact CZ-CD2 3.66Å; Y51-H60 AromaticContact CZ-CG 3.27Å; Y51-H60 AromaticContact CZ-ND1 3.85Å; Y51-H60 VanDerWaalsContact OH-CB 3.22Å; Y51-H60 WeakPolarHBondContact OH-CB 3.43Å; Y51-H60 PolarHBondContact OH-ND1 3.19Å; M56-H60 VanDerWaalsContact O-CB 3.32Å; M56-H60 WeakPolarHBondContact O-CB 3.4Å; M56-H60 PolarHBondContact O-N 3.08Å; Y57-H60 CarbonylContact O-C 3.18Å; Y57-H60 WeakPolarHBondContact O-CA 3.38Å; Y57-H60 WeakPolarHBondContact O-CB 3.26Å; Y57-H60 PolarHBondContact O-N 2.61Å; Y57-H60 VanDerWaalsContact O-N 3.09Å; E58-H60 PolarHBondContact O-N 3.28Å; H60-I62 VanDerWaalsContact C-N 3.31Å; H60-I62 PolarHBondContact O-N 3.33Å; H60-G63 WeakPolarHBondContact O-CA 3.49Å; H60-G63 PolarHBondContact O-N 3.48Å; H60-H64 AromaticContact CE1-CD2 3.34Å; H60-H64 PolarHBondContact CE1-CD2 3.14Å; H60-H64 AromaticContact CE1-NE2 2.98Å; H60-H64 PolarHBondContact CE1-NE2 3.36Å; H60-H64 AromaticContact NE2-CD2 3.38Å; H60-H64 PolarHBondContact NE2-CD2 2.88Å; H60-H64 AromaticContact NE2-NE2 3.23Å; H60-H64 PolarHBondContact NE2-NE2 3.42Å; H60-H64 PolarHBondContact O-N 2.94Å
61T68.1Low64.5Low15 Ų1581.9 Ų81.99%0.09241%0.41CS..Hα-helixtrans-64.4-35.7-179.966.80000112.2Y57 E58 G63 H64 R65Y57-T61 HydrophobicContact CD1-CG2 4.25Å; Y57-T61 HydrophobicContact CD2-CG2 3.86Å; Y57-T61 HydrophobicContact CE1-CG2 3.87Å; Y57-T61 HydrophobicContact CE2-CG2 3.41Å; Y57-T61 VanDerWaalsContact CE2-CG2 3.41Å; Y57-T61 HydrophobicContact CG-CG2 4.25Å; Y57-T61 VanDerWaalsContact CZ-CG2 3.43Å; Y57-T61 VanDerWaalsContact O-CG2 3.25Å; Y57-T61 WeakPolarHBondContact O-CG2 3.38Å; Y57-T61 PolarHBondContact O-N 3.32Å; E58-T61 PolarHBondContact O-N 2.64Å; E58-T61 PolarHBondContact O-OG1 3.45Å; T61-G63 PolarHBondContact O-N 3.25Å; T61-H64 WeakPolarHBondContact O-CB 3.28Å; T61-H64 PolarHBondContact O-N 2.86Å; T61-H64 VanDerWaalsContact O-N 3.14Å; T61-R65 WeakPolarHBondContact O-CG 3.49Å; T61-R65 PolarHBondContact O-N 3.13Å
62I68.3Low64.4Low71 Ų7184.2 Ų84.236%0.36442%0.421SS..Hα-helixtrans-57.7-36170.8-62.1164.8000110.1E58 H60 H64 R65 M66 W85E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 3.31Å; H60-I62 VanDerWaalsContact C-N 3.31Å; H60-I62 PolarHBondContact O-N 3.33Å; I62-H64 PolarHBondContact O-N 3.24Å; I62-R65 PolarHBondContact O-N 2.92Å; I62-R65 VanDerWaalsContact O-N 3.1Å; I62-M66 HydrophobicContact CG2-CE 3.81Å; I62-M66 VanDerWaalsContact O-CG 3.28Å; I62-M66 WeakPolarHBondContact O-CG 3.27Å; I62-M66 PolarHBondContact O-N 3.15Å; I62-W85 HydrophobicContact CB-CH2 4.15Å; I62-W85 HydrophobicContact CB-CZ3 3.83Å; I62-W85 HydrophobicContact CG2-CH2 4.15Å; I62-W85 HydrophobicContact CG2-CZ3 3.56Å
63G66.2Low64.3Low19 Ų1982.9 Ų82.920%0.19641%0.41CS..Hα-helixtrans-65.8-24.9-178.700000114.3K59 H60 T61 K84K59-G63 PolarHBondContact O-N 2.73Å; H60-G63 WeakPolarHBondContact O-CA 3.49Å; H60-G63 PolarHBondContact O-N 3.48Å; T61-G63 PolarHBondContact O-N 3.25Å; G63-K84 PolarHBondContact O-NZ 2.82Å
64H64.7Low64.4Low69 Ų6981 Ų8132%0.31940%0.401SS..Hα-helixtrans-84.7-28.2172.8-81-67.8000113.9C44 L46 C47 H60 T61 I62 M66C44-H64 PolarHBondContact SG-CD2 3.42Å; L46-H64 HydrophobicContact CB-CB 4.46Å; L46-H64 HydrophobicContact CD1-CB 3.43Å; L46-H64 VanDerWaalsContact CD1-CB 3.43Å; C47-H64 PolarHBondContact SG-NE2 3.44Å; H60-H64 AromaticContact CE1-CD2 3.34Å; H60-H64 PolarHBondContact CE1-CD2 3.14Å; H60-H64 AromaticContact CE1-NE2 2.98Å; H60-H64 PolarHBondContact CE1-NE2 3.36Å; H60-H64 AromaticContact NE2-CD2 3.38Å; H60-H64 PolarHBondContact NE2-CD2 2.88Å; H60-H64 AromaticContact NE2-NE2 3.23Å; H60-H64 PolarHBondContact NE2-NE2 3.42Å; H60-H64 PolarHBondContact O-N 2.94Å; T61-H64 WeakPolarHBondContact O-CB 3.28Å; T61-H64 PolarHBondContact O-N 2.86Å; T61-H64 VanDerWaalsContact O-N 3.14Å; I62-H64 PolarHBondContact O-N 3.24Å; H64-M66 VanDerWaalsContact C-N 3.26Å
65R55.5Low64.4Low112 Ų11281.4 Ų81.442%0.42341%0.406SS..Hα-helixtrans-77.6-15.2179.3-64.5173.9-164.2-175.43.4112.5T61 I62T61-R65 WeakPolarHBondContact O-CG 3.49Å; T61-R65 PolarHBondContact O-N 3.13Å; I62-R65 PolarHBondContact O-N 2.92Å; I62-R65 VanDerWaalsContact O-N 3.1Å
66M58.6Low64.8Low34 Ų3475 Ų7517%0.16738%0.377CS..SBendtrans-71.1128.5176.2-66-101.3168.400109.7I62 H64 Y71 P73 K84I62-M66 HydrophobicContact CG2-CE 3.81Å; I62-M66 VanDerWaalsContact O-CG 3.28Å; I62-M66 WeakPolarHBondContact O-CG 3.27Å; I62-M66 PolarHBondContact O-N 3.15Å; H64-M66 VanDerWaalsContact C-N 3.26Å; M66-Y71 HydrophobicContact SD-CD1 3.63Å; M66-Y71 HydrophobicContact SD-CE1 4.32Å; M66-P73 HydrophobicContact CE-CG 3.75Å; M66-P73 HydrophobicContact SD-CG 4.18Å; M66-K84 HydrophobicContact SD-CG 4.47Å
67P50.2Low65.2Low79 Ų7979 Ų7951%0.51339%0.391SS..PPolyproline II helixtrans-47.3140.9177.5-25.929.8000112.1H69 Y71P67-H69 PolarHBondContact O-N 3.31Å; P67-Y71 HydrophobicContact CG-CD1 4.29Å; P67-Y71 HydrophobicContact CG-CD2 4.46Å; P67-Y71 HydrophobicContact CG-CG 4.03Å
68E41.3Very low65.1Low180 Ų18082.3 Ų82.384%0.84141%0.407SS*.THydrogen-bonded Turntrans-50.4131.2177-77-139.1156.200110.9
69H47.8Very low65.4Low179 Ų17980.8 Ų80.883%0.82941%0.406SS*.THydrogen-bonded Turntrans67.475172.6-63.652.5000116.2P67P67-H69 PolarHBondContact O-N 3.31Å
70G53Low65.7Low59 Ų5979.3 Ų79.361%0.60841%0.413SS*.THydrogen-bonded Turntrans101.39.4150.300000117K72G70-K72 WeakPolarHBondContact O-CG 3.11Å; G70-K72 PolarHBondContact O-N 3.09Å
71Y58.7Low65.7Low131 Ų13184.1 Ų84.151%0.51443%0.433SS..  trans-59.9125.5171.3-169.8-111.3000110.9M66 P67 P73M66-Y71 HydrophobicContact SD-CD1 3.63Å; M66-Y71 HydrophobicContact SD-CE1 4.32Å; P67-Y71 HydrophobicContact CG-CD1 4.29Å; P67-Y71 HydrophobicContact CG-CD2 4.46Å; P67-Y71 HydrophobicContact CG-CG 4.03Å; Y71-P73 HydrophobicContact CD1-CG 4.41Å; Y71-P73 HydrophobicContact CE1-CB 3.84Å; Y71-P73 HydrophobicContact CE1-CG 4.01Å
72K70Confident66.1Low97 Ų9786.1 Ų86.142%0.42245%0.445SS..  trans-138.882.9-171.4-77.7167.3156.4-151.70108.2G70 F74 T82 F83 K84G70-K72 WeakPolarHBondContact O-CG 3.11Å; G70-K72 PolarHBondContact O-N 3.09Å; K72-F74 VanDerWaalsContact C-N 3.27Å; K72-F74 PolarHBondContact O-N 2.83Å; K72-T82 WeakPolarHBondContact CD-O 3.44Å; K72-T82 WeakPolarHBondContact CD-OG1 3.4Å; K72-T82 WeakPolarHBondContact CE-O 3.39Å; K72-T82 PolarHBondContact NZ-O 3.37Å; K72-F83 CarbonylContact C-O 3.54Å; K72-F83 VanDerWaalsContact CA-O 3.24Å; K72-F83 WeakPolarHBondContact CA-O 3.45Å; K72-F83 WeakPolarHBondContact CB-O 3.4Å; K72-K84 HydrophobicContact CG-CB 4.5Å
73P71.9Confident66.3Low50 Ų5084.5 Ų84.533%0.32544%0.436SS..  trans-71-22.7-168.825.4-31.4000113.2M66 Y71 T75M66-P73 HydrophobicContact CE-CG 3.75Å; M66-P73 HydrophobicContact SD-CG 4.18Å; Y71-P73 HydrophobicContact CD1-CG 4.41Å; Y71-P73 HydrophobicContact CE1-CB 3.84Å; Y71-P73 HydrophobicContact CE1-CG 4.01Å; P73-T75 PolarHBondContact O-N 3.15Å
74F78.1Confident66.5Low65 Ų6587.3 Ų87.329%0.28544%0.443SS..EExtended strand (participates in β ladder)trans-86.6103.5-176.4-57.2-76.2000110.2K72 T82 F83 K84 N86 L89K72-F74 VanDerWaalsContact C-N 3.27Å; K72-F74 PolarHBondContact O-N 2.83Å; F74-T82 CarbonylContact O-C 3.48Å; F74-T82 WeakPolarHBondContact O-CA 3.41Å; F74-F83 HydrophobicContact CB-CB 4.2Å; F74-F83 PolarHBondContact N-O 2.87Å; F74-F83 PolarHBondContact O-N 2.78Å; F74-K84 WeakPolarHBondContact CE2-O 3.46Å; F74-N86 HydrophobicContact CD1-CB 3.73Å; F74-N86 HydrophobicContact CE1-CB 3.52Å; F74-N86 HydrophobicContact CE2-CB 4.33Å; F74-N86 VanDerWaalsContact CE2-N 3.26Å; F74-N86 HydrophobicContact CG-CB 4.24Å; F74-N86 HydrophobicContact CZ-CB 3.84Å; F74-L89 HydrophobicContact CB-CB 3.91Å; F74-L89 HydrophobicContact CB-CD2 3.85Å; F74-L89 HydrophobicContact CB-CG 4.48Å
75T73.3Confident67Low75 Ų7587.7 Ų87.746%0.4644%0.441SS..EExtended strand (participates in β ladder)trans-101.8133-177.6-55.20000111.1P73 K77 T82P73-T75 PolarHBondContact O-N 3.15Å; T75-K77 PolarHBondContact O-N 3.21Å; T75-T82 HydrophobicContact CG2-CG2 4.06Å
76C78.7Confident67.8Low1 Ų185.9 Ų85.91%0.00744%0.44CS..  trans-73.9116.2173.5179.20000111.2F78 C79 G80 K81 F83 L89 H92 H96C76-F78 PolarHBondContact O-N 3.01Å; C76-F78 VanDerWaalsContact O-N 3.16Å; C76-F78 PolarHBondContact SG-N 3.16Å; C76-C79 PolarHBondContact O-N 3.4Å; C76-C79 VanDerWaalsContact SG-SG 3.64Å; C76-G80 WeakPolarHBondContact O-CA 3.4Å; C76-G80 PolarHBondContact O-N 2.81Å; C76-K81 HydrophobicContact CB-CB 4.42Å; C76-K81 WeakPolarHBondContact CB-O 3.38Å; C76-K81 PolarHBondContact N-O 3.32Å; C76-F83 HydrophobicContact CB-CE2 4.31Å; C76-L89 HydrophobicContact CB-CD1 3.8Å; C76-H92 WeakPolarHBondContact CB-NE2 3.45Å; C76-H92 VanDerWaalsContact SG-CD2 3.57Å; C76-H92 PolarHBondContact SG-NE2 3.11Å; C76-H96 PolarHBondContact SG-CD2 3.28Å; C76-H96 PolarHBondContact SG-NE2 3.14Å
77K77.4Confident68.7Low175 Ų17588.6 Ų88.676%0.76145%0.452SS*.THydrogen-bonded Turntrans-57.2-27.7176.463.6-176.3-176.9178.90115T75T75-K77 PolarHBondContact O-N 3.21Å
78F72.8Confident70.2Confident127 Ų12787.9 Ų87.956%0.55744%0.444SS*.THydrogen-bonded Turntrans-89.5-26.6-176.6-58.9-71.1000115.6C76 L93 H96C76-F78 PolarHBondContact O-N 3.01Å; C76-F78 VanDerWaalsContact O-N 3.16Å; C76-F78 PolarHBondContact SG-N 3.16Å; F78-L93 HydrophobicContact CD2-CD2 3.84Å; F78-L93 HydrophobicContact CE2-CD2 4Å; F78-H96 HydrophobicContact CB-CB 4.26Å; F78-H96 WeakPolarHBondContact CB-ND1 3.23Å; F78-H96 HydrophobicContact CD2-CB 3.52Å; F78-H96 AromaticContact CD2-CD2 3.89Å; F78-H96 AromaticContact CD2-CG 3.61Å; F78-H96 HydrophobicContact CE2-CB 3.98Å; F78-H96 HydrophobicContact CG-CB 3.99Å; F78-H96 AromaticContact CG-CG 3.86Å
79C76.3Confident71.9Confident58 Ų5880.1 Ų80.139%0.39241%0.408SS..THydrogen-bonded Turntrans-138.84.3-175.871.80000114.9C76 K81 H92 H96C76-C79 PolarHBondContact O-N 3.4Å; C76-C79 VanDerWaalsContact SG-SG 3.64Å; C79-K81 PolarHBondContact O-N 3.42Å; C79-K81 VanDerWaalsContact O-N 3.07Å; C79-K81 VanDerWaalsContact SG-CG 3.59Å; C79-H92 VanDerWaalsContact SG-CE1 3.59Å; C79-H92 PolarHBondContact SG-NE2 3.33Å; C79-H96 PolarHBondContact SG-NE2 3.39Å; C79-H96 VanDerWaalsContact SG-NE2 3.39Å
80G74.7Confident73.4Confident47 Ų4776 Ų7649%0.48539%0.392SS..  trans70.2-0.1178.900000115.6C76 T82C76-G80 WeakPolarHBondContact O-CA 3.4Å; C76-G80 PolarHBondContact O-N 2.81Å; G80-T82 PolarHBondContact O-N 3.29Å
81K75.1Confident74.4Confident124 Ų12479.2 Ų79.254%0.53939%0.389SS..  trans-62.2132177.2-75.6178.6-177169.80110.9C76 C79 F83C76-K81 HydrophobicContact CB-CB 4.42Å; C76-K81 WeakPolarHBondContact CB-O 3.38Å; C76-K81 PolarHBondContact N-O 3.32Å; C79-K81 PolarHBondContact O-N 3.42Å; C79-K81 VanDerWaalsContact O-N 3.07Å; C79-K81 VanDerWaalsContact SG-CG 3.59Å; K81-F83 HydrophobicContact CB-CE2 3.72Å; K81-F83 HydrophobicContact CB-CZ 3.88Å; K81-F83 WeakPolarHBondContact O-CD2 3.3Å; K81-F83 VanDerWaalsContact O-CE2 3.29Å; K81-F83 WeakPolarHBondContact O-CE2 3.38Å
82T74.6Confident75.3Confident56 Ų5674 Ų7434%0.34437%0.369SS..EExtended strand (participates in β ladder)trans-104139.9-179.358.30000112K72 F74 T75 G80K72-T82 WeakPolarHBondContact CD-O 3.44Å; K72-T82 WeakPolarHBondContact CD-OG1 3.4Å; K72-T82 WeakPolarHBondContact CE-O 3.39Å; K72-T82 PolarHBondContact NZ-O 3.37Å; F74-T82 CarbonylContact O-C 3.48Å; F74-T82 WeakPolarHBondContact O-CA 3.41Å; T75-T82 HydrophobicContact CG2-CG2 4.06Å; G80-T82 PolarHBondContact O-N 3.29Å
83F73.5Confident75.5Confident38 Ų3871.5 Ų71.517%0.16736%0.36CS..EExtended strand (participates in β ladder)trans-127.3147.3-175.4-59.1-89.7000111.3K72 F74 C76 K81 N88 L89 H92K72-F83 CarbonylContact C-O 3.54Å; K72-F83 VanDerWaalsContact CA-O 3.24Å; K72-F83 WeakPolarHBondContact CA-O 3.45Å; K72-F83 WeakPolarHBondContact CB-O 3.4Å; F74-F83 HydrophobicContact CB-CB 4.2Å; F74-F83 PolarHBondContact N-O 2.87Å; F74-F83 PolarHBondContact O-N 2.78Å; C76-F83 HydrophobicContact CB-CE2 4.31Å; K81-F83 HydrophobicContact CB-CE2 3.72Å; K81-F83 HydrophobicContact CB-CZ 3.88Å; K81-F83 WeakPolarHBondContact O-CD2 3.3Å; K81-F83 VanDerWaalsContact O-CE2 3.29Å; K81-F83 WeakPolarHBondContact O-CE2 3.38Å; F83-N88 HydrophobicContact CB-CB 4.15Å; F83-N88 HydrophobicContact CD1-CB 3.86Å; F83-N88 HydrophobicContact CG-CB 4.31Å; F83-L89 HydrophobicContact CB-CB 4.33Å; F83-L89 HydrophobicContact CD2-CB 4Å; F83-L89 HydrophobicContact CD2-CD1 3.86Å; F83-L89 HydrophobicContact CE2-CD1 4.02Å; F83-L89 HydrophobicContact CG-CB 4.3Å; F83-H92 HydrophobicContact CE1-CB 3.83Å; F83-H92 HydrophobicContact CE2-CB 3.85Å; F83-H92 AromaticContact CE2-CD2 3.33Å; F83-H92 WeakPolarHBondContact CE2-CD2 3.41Å; F83-H92 AromaticContact CE2-CG 3.58Å; F83-H92 HydrophobicContact CZ-CB 3.36Å; F83-H92 AromaticContact CZ-CD2 3.42Å; F83-H92 VanDerWaalsContact CZ-CD2 3.42Å; F83-H92 WeakPolarHBondContact CZ-CD2 3.49Å; F83-H92 AromaticContact CZ-CG 3.17Å; F83-H92 AromaticContact CZ-ND1 3.73Å
84K69.8Low75.5Confident78 Ų7873 Ų7334%0.33936%0.364SS..SBendtrans-73.8-28.7178.2-174.7172179.7169.50112.7G63 M66 K72 F74G63-K84 PolarHBondContact O-NZ 2.82Å; M66-K84 HydrophobicContact SD-CG 4.47Å; K72-K84 HydrophobicContact CG-CB 4.5Å; F74-K84 WeakPolarHBondContact CE2-O 3.46Å
85W74.8Confident75Confident76 Ų7673.8 Ų73.829%0.28837%0.368SS..SBendtrans-131.9140.7-172.9-54.6121.2000110.3K59 I62 E87 N88 L89K59-W85 WeakPolarHBondContact O-CH2 3.13Å; I62-W85 HydrophobicContact CB-CH2 4.15Å; I62-W85 HydrophobicContact CB-CZ3 3.83Å; I62-W85 HydrophobicContact CG2-CH2 4.15Å; I62-W85 HydrophobicContact CG2-CZ3 3.56Å; W85-E87 VanDerWaalsContact C-N 3.26Å; W85-E87 PolarHBondContact O-N 3.35Å; W85-N88 WeakPolarHBondContact O-CB 3.44Å; W85-N88 PolarHBondContact O-N 2.82Å; W85-L89 PolarHBondContact O-N 3.42Å
86N74.1Confident74.8Confident75 Ų7573 Ų7340%0.40136%0.359SS..Hα-helixtrans-57.8-40.4177.8-168.927.8000111.7F74 N88 L89 L90F74-N86 HydrophobicContact CD1-CB 3.73Å; F74-N86 HydrophobicContact CE1-CB 3.52Å; F74-N86 HydrophobicContact CE2-CB 4.33Å; F74-N86 VanDerWaalsContact CE2-N 3.26Å; F74-N86 HydrophobicContact CG-CB 4.24Å; F74-N86 HydrophobicContact CZ-CB 3.84Å; N86-N88 PolarHBondContact O-N 3.28Å; N86-N88 VanDerWaalsContact O-N 3.15Å; N86-L89 CarbonylContact O-C 3.57Å; N86-L89 WeakPolarHBondContact O-CA 3.35Å; N86-L89 WeakPolarHBondContact O-CB 3.24Å; N86-L89 PolarHBondContact O-N 3.25Å; N86-L90 WeakPolarHBondContact O-CG 3.46Å; N86-L90 PolarHBondContact O-N 3.48Å
87E77.3Confident74.1Confident91 Ų9177.7 Ų77.743%0.42538%0.383SS..Hα-helixtrans-54.7-36.1175.9-65.7176.8-169.900112.9K59 W85 K91K59-E87 VanDerWaalsContact CE-OE1 3.24Å; K59-E87 WeakPolarHBondContact CE-OE1 3.47Å; K59-E87 IonicContact NZ-OE1 3.68Å; K59-E87 PolarHBondContact NZ-OE1 2.76Å; K59-E87 IonicContact NZ-OE2 3.54Å; W85-E87 VanDerWaalsContact C-N 3.26Å; W85-E87 PolarHBondContact O-N 3.35Å; E87-K91 WeakPolarHBondContact O-CB 3.5Å; E87-K91 VanDerWaalsContact O-CG 3.29Å; E87-K91 WeakPolarHBondContact O-CG 2.99Å; E87-K91 PolarHBondContact O-N 3.34Å
88N80.3Confident73.2Confident63 Ų6376.4 Ų76.434%0.33739%0.385SS..Hα-helixtrans-74.6-34.2177.2-68.1-18.3000111.6F83 W85 N86 H92F83-N88 HydrophobicContact CB-CB 4.15Å; F83-N88 HydrophobicContact CD1-CB 3.86Å; F83-N88 HydrophobicContact CG-CB 4.31Å; W85-N88 WeakPolarHBondContact O-CB 3.44Å; W85-N88 PolarHBondContact O-N 2.82Å; N86-N88 PolarHBondContact O-N 3.28Å; N86-N88 VanDerWaalsContact O-N 3.15Å; N88-H92 VanDerWaalsContact O-CB 3.28Å; N88-H92 WeakPolarHBondContact O-CB 3.24Å; N88-H92 PolarHBondContact O-N 3.34Å
89L78.5Confident72.3Confident17 Ų1778 Ų789%0.08939%0.394CS..Hα-helixtrans-65.9-46.7171.3172.962.3000110.5F74 C76 F83 W85 N86 K91 H92 L93F74-L89 HydrophobicContact CB-CB 3.91Å; F74-L89 HydrophobicContact CB-CD2 3.85Å; F74-L89 HydrophobicContact CB-CG 4.48Å; C76-L89 HydrophobicContact CB-CD1 3.8Å; F83-L89 HydrophobicContact CB-CB 4.33Å; F83-L89 HydrophobicContact CD2-CB 4Å; F83-L89 HydrophobicContact CD2-CD1 3.86Å; F83-L89 HydrophobicContact CE2-CD1 4.02Å; F83-L89 HydrophobicContact CG-CB 4.3Å; W85-L89 PolarHBondContact O-N 3.42Å; N86-L89 CarbonylContact O-C 3.57Å; N86-L89 WeakPolarHBondContact O-CA 3.35Å; N86-L89 WeakPolarHBondContact O-CB 3.24Å; N86-L89 PolarHBondContact O-N 3.25Å; L89-K91 PolarHBondContact O-N 3.48Å; L89-H92 CarbonylContact O-C 3.52Å; L89-H92 WeakPolarHBondContact O-CA 3.41Å; L89-H92 WeakPolarHBondContact O-CB 3.49Å; L89-H92 PolarHBondContact O-N 3.11Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CD2 4.2Å; L89-L93 HydrophobicContact CD1-CG 3.9Å; L89-L93 HydrophobicContact CD2-CD1 4.49Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 HydrophobicContact CG-CG 4.13Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.27Å; L89-L93 PolarHBondContact O-N 2.83Å
90L77.8Confident71.5Confident94 Ų9482 Ų8249%0.49241%0.407SS..Hα-helixtrans-57.4-48.7176.8-68.3174.3000111.5N86 H92 L93 M94N86-L90 WeakPolarHBondContact O-CG 3.46Å; N86-L90 PolarHBondContact O-N 3.48Å; L90-H92 PolarHBondContact O-N 3.01Å; L90-L93 HydrophobicContact CD2-CD1 4.41Å; L90-L93 PolarHBondContact O-N 2.92Å; L90-L93 VanDerWaalsContact O-N 3.12Å; L90-M94 WeakPolarHBondContact O-CG 3.5Å; L90-M94 PolarHBondContact O-N 3.18Å
91K74.4Confident71.3Confident125 Ų12581.4 Ų81.454%0.54340%0.396SS..Hα-helixtrans-58.2-34.1173-74.5173.2-176.9173.10112.8E87 L89 F95E87-K91 WeakPolarHBondContact O-CB 3.5Å; E87-K91 VanDerWaalsContact O-CG 3.29Å; E87-K91 WeakPolarHBondContact O-CG 2.99Å; E87-K91 PolarHBondContact O-N 3.34Å; L89-K91 PolarHBondContact O-N 3.48Å; K91-F95 VanDerWaalsContact O-CD2 3.26Å; K91-F95 WeakPolarHBondContact O-CD2 3.22Å; K91-F95 WeakPolarHBondContact O-CE2 3.35Å
92H77.7Confident71Confident22 Ų2277.9 Ų77.910%0.10238%0.384CS..Hα-helixtrans-75.1-37.3175.9169.764.4000112.8C76 C79 F83 N88 L89 L90 M94 F95 H96C76-H92 WeakPolarHBondContact CB-NE2 3.45Å; C76-H92 VanDerWaalsContact SG-CD2 3.57Å; C76-H92 PolarHBondContact SG-NE2 3.11Å; C79-H92 VanDerWaalsContact SG-CE1 3.59Å; C79-H92 PolarHBondContact SG-NE2 3.33Å; F83-H92 HydrophobicContact CE1-CB 3.83Å; F83-H92 HydrophobicContact CE2-CB 3.85Å; F83-H92 AromaticContact CE2-CD2 3.33Å; F83-H92 WeakPolarHBondContact CE2-CD2 3.41Å; F83-H92 AromaticContact CE2-CG 3.58Å; F83-H92 HydrophobicContact CZ-CB 3.36Å; F83-H92 AromaticContact CZ-CD2 3.42Å; F83-H92 VanDerWaalsContact CZ-CD2 3.42Å; F83-H92 WeakPolarHBondContact CZ-CD2 3.49Å; F83-H92 AromaticContact CZ-CG 3.17Å; F83-H92 AromaticContact CZ-ND1 3.73Å; N88-H92 VanDerWaalsContact O-CB 3.28Å; N88-H92 WeakPolarHBondContact O-CB 3.24Å; N88-H92 PolarHBondContact O-N 3.34Å; L89-H92 CarbonylContact O-C 3.52Å; L89-H92 WeakPolarHBondContact O-CA 3.41Å; L89-H92 WeakPolarHBondContact O-CB 3.49Å; L89-H92 PolarHBondContact O-N 3.11Å; L90-H92 PolarHBondContact O-N 3.01Å; H92-M94 PolarHBondContact O-N 3.29Å; H92-F95 WeakPolarHBondContact O-CB 3.44Å; H92-F95 PolarHBondContact O-N 2.9Å; H92-H96 AromaticContact CD2-NE2 3.85Å; H92-H96 AromaticContact CE1-CD2 3.97Å; H92-H96 AromaticContact CE1-NE2 3.26Å; H92-H96 PolarHBondContact CE1-NE2 3.13Å; H92-H96 VanDerWaalsContact CE1-NE2 3.26Å; H92-H96 AromaticContact NE2-CD2 3.59Å; H92-H96 AromaticContact NE2-NE2 2.94Å; H92-H96 PolarHBondContact NE2-NE2 3.07Å
93L74.7Confident70.9Confident44 Ų4483.7 Ų83.723%0.2340%0.4CS..Hα-helixtrans-63.3-29177.3-71.3172000111.7F78 L89 L90 F95 H96 D97F78-L93 HydrophobicContact CD2-CD2 3.84Å; F78-L93 HydrophobicContact CE2-CD2 4Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CD2 4.2Å; L89-L93 HydrophobicContact CD1-CG 3.9Å; L89-L93 HydrophobicContact CD2-CD1 4.49Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 HydrophobicContact CG-CG 4.13Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.27Å; L89-L93 PolarHBondContact O-N 2.83Å; L90-L93 HydrophobicContact CD2-CD1 4.41Å; L90-L93 PolarHBondContact O-N 2.92Å; L90-L93 VanDerWaalsContact O-N 3.12Å; L93-F95 PolarHBondContact O-N 3.3Å; L93-H96 PolarHBondContact O-N 3.34Å; L93-D97 PolarHBondContact O-N 2.84Å
94M72.4Confident70.9Confident81 Ų8181.9 Ų81.940%0.39939%0.392SS..THydrogen-bonded Turntrans-57.4-17.1169.8-61.6-179.776.100113.9L90 H92 P112L90-M94 WeakPolarHBondContact O-CG 3.5Å; L90-M94 PolarHBondContact O-N 3.18Å; H92-M94 PolarHBondContact O-N 3.29Å; M94-P112 HydrophobicContact CB-CB 4.44Å; M94-P112 HydrophobicContact CE-CB 3.67Å; M94-P112 HydrophobicContact SD-CB 4.11Å
95F67.6Low71Confident83 Ų8383.2 Ų83.236%0.36441%0.409SS..THydrogen-bonded Turntrans-92.3-12.5174.7-66.3-91.6000113.6K91 H92 L93 P112K91-F95 VanDerWaalsContact O-CD2 3.26Å; K91-F95 WeakPolarHBondContact O-CD2 3.22Å; K91-F95 WeakPolarHBondContact O-CE2 3.35Å; H92-F95 WeakPolarHBondContact O-CB 3.44Å; H92-F95 PolarHBondContact O-N 2.9Å; L93-F95 PolarHBondContact O-N 3.3Å; F95-P112 HydrophobicContact CE2-CG 4.21Å; F95-P112 HydrophobicContact CZ-CG 3.94Å
96H69.1Low70.6Confident58 Ų5880.9 Ų80.927%0.26941%0.405SS..THydrogen-bonded Turntrans-94.5-34.7173.9-70.2-66.5000111.8C76 F78 C79 H92 L93 N98C76-H96 PolarHBondContact SG-CD2 3.28Å; C76-H96 PolarHBondContact SG-NE2 3.14Å; F78-H96 HydrophobicContact CB-CB 4.26Å; F78-H96 WeakPolarHBondContact CB-ND1 3.23Å; F78-H96 HydrophobicContact CD2-CB 3.52Å; F78-H96 AromaticContact CD2-CD2 3.89Å; F78-H96 AromaticContact CD2-CG 3.61Å; F78-H96 HydrophobicContact CE2-CB 3.98Å; F78-H96 HydrophobicContact CG-CB 3.99Å; F78-H96 AromaticContact CG-CG 3.86Å; C79-H96 PolarHBondContact SG-NE2 3.39Å; C79-H96 VanDerWaalsContact SG-NE2 3.39Å; H92-H96 AromaticContact CD2-NE2 3.85Å; H92-H96 AromaticContact CE1-CD2 3.97Å; H92-H96 AromaticContact CE1-NE2 3.26Å; H92-H96 PolarHBondContact CE1-NE2 3.13Å; H92-H96 VanDerWaalsContact CE1-NE2 3.26Å; H92-H96 AromaticContact NE2-CD2 3.59Å; H92-H96 AromaticContact NE2-NE2 2.94Å; H92-H96 PolarHBondContact NE2-NE2 3.07Å; L93-H96 PolarHBondContact O-N 3.34Å; H96-N98 PolarHBondContact O-N 2.94Å; H96-N98 VanDerWaalsContact O-N 3.16Å
97D64.2Low70.4Confident99 Ų9977.6 Ų77.653%0.52939%0.388SS..SBendtrans-76104.3175.2-154.3-1.1000108.5L93 Q99L93-D97 PolarHBondContact O-N 2.84Å; D97-Q99 PolarHBondContact O-N 3.15Å
98N56.8Low70.1Confident148 Ų14876.4 Ų76.479%0.79139%0.39SS*.THydrogen-bonded Turntrans-63.711.7-177.4-95.6-16.7000113.9H96H96-N98 PolarHBondContact O-N 2.94Å; H96-N98 VanDerWaalsContact O-N 3.16Å
99Q54.9Low69.7Low160 Ų16077.1 Ų77.175%0.74839%0.391SS*.THydrogen-bonded Turntrans-83.7-24.9-169.1-67.1-150.8-26.800114.9D97D97-Q99 PolarHBondContact O-N 3.15Å
100E59.8Low69.3Low143 Ų14379.5 Ų79.567%0.66841%0.407SS*.SBendtrans-15113.4176.8-66.7-168.815700116V102 N113E100-V102 WeakPolarHBondContact O-CG2 3.22Å; E100-V102 PolarHBondContact O-N 2.92Å; E100-N113 WeakPolarHBondContact O-CA 3.47Å
101S69.4Low69Low35 Ų3576.2 Ų76.225%0.24539%0.388CS..PPolyproline II helixtrans-70.4120.4176.586.10000110.7F111S101-F111 CarbonylContact C-O 3.57Å; S101-F111 WeakPolarHBondContact CA-O 3.45Å; S101-F111 WeakPolarHBondContact CB-O 3.36Å
102V68.9Low68.6Low49 Ų4971.8 Ų71.830%0.29737%0.372SS..EExtended strand (participates in β ladder)trans-103.3126.5-177.9-163.40000108.8E100 F111 A114 L117E100-V102 WeakPolarHBondContact O-CG2 3.22Å; E100-V102 PolarHBondContact O-N 2.92Å; V102-F111 PolarHBondContact N-O 3.12Å; V102-F111 PolarHBondContact O-N 3.23Å; V102-A114 HydrophobicContact CG2-CB 4.25Å; V102-L117 HydrophobicContact CB-CD2 4.12Å; V102-L117 HydrophobicContact CG1-CD2 3.42Å; V102-L117 VanDerWaalsContact CG1-CD2 3.42Å
103R72.6Confident68.4Low178 Ų17872.9 Ų72.967%0.67238%0.379SS*.EExtended strand (participates in β ladder)trans-85135.9172.8-68.4-175.5-145.8173.77.9109.7P105 Q109 T110R103-P105 WeakPolarHBondContact O-CD 3.47Å; R103-Q109 CarbonylContact C-O 3.56Å; R103-Q109 WeakPolarHBondContact CA-O 3.25Å; R103-T110 HydrophobicContact CG-CG2 3.66Å
104C73.3Confident68.6Low0 Ų073.9 Ų73.90%039%0.394CS..PPolyproline II helixtrans-64.5118.5164.5176.60000109A106 C107 S108 Q109 F111 L117 H120C104-A106 PolarHBondContact O-N 3.17Å; C104-A106 VanDerWaalsContact O-N 3.17Å; C104-A106 PolarHBondContact SG-N 3.26Å; C104-A106 VanDerWaalsContact SG-N 3.42Å; C104-C107 VanDerWaalsContact CB-SG 3.59Å; C104-S108 VanDerWaalsContact O-CA 3.26Å; C104-S108 WeakPolarHBondContact O-CA 3.32Å; C104-S108 PolarHBondContact O-N 2.99Å; C104-Q109 PolarHBondContact N-O 3.23Å; C104-F111 HydrophobicContact CB-CD2 4.43Å; C104-F111 HydrophobicContact CB-CE2 3.82Å; C104-L117 HydrophobicContact CB-CD1 3.6Å; C104-H120 PolarHBondContact SG-NE2 2.84Å
105P71.6Confident68.8Low107 Ų10774.3 Ų74.370%0.69540%0.401SS*.THydrogen-bonded Turntrans-58.1-26.1176.3-22.933.3000113.2R103 Y121R103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-Y121 WeakPolarHBondContact CD-OH 3.46Å
106A68.1Low69.1Low26 Ų2674.5 Ų74.522%0.21540%0.403CS..THydrogen-bonded Turntrans-86.7-37.3-175.300000114C104 L130 H133C104-A106 PolarHBondContact O-N 3.17Å; C104-A106 VanDerWaalsContact O-N 3.17Å; C104-A106 PolarHBondContact SG-N 3.26Å; C104-A106 VanDerWaalsContact SG-N 3.42Å; A106-L130 VanDerWaalsContact CA-CD1 3.47Å; A106-L130 HydrophobicContact CB-CD1 3.47Å; A106-L130 VanDerWaalsContact CB-CD1 3.47Å; A106-L130 VanDerWaalsContact O-CD1 3.25Å; A106-L130 WeakPolarHBondContact O-CD1 3.38Å; A106-H133 WeakPolarHBondContact CB-CD2 3.45Å; A106-H133 WeakPolarHBondContact CB-NE2 3.28Å
107C69.3Low69.4Low7 Ų772.6 Ų72.65%0.04740%0.395CS..THydrogen-bonded Turntrans-120.70.3-179.360.40000115.7C104 Q109 H133 H137C104-C107 VanDerWaalsContact CB-SG 3.59Å; C107-Q109 PolarHBondContact O-N 3.42Å; C107-Q109 VanDerWaalsContact O-N 3.1Å; C107-H133 WeakPolarHBondContact CB-NE2 3.24Å; C107-H133 PolarHBondContact N-NE2 3.1Å; C107-H133 PolarHBondContact SG-NE2 3.27Å; C107-H133 VanDerWaalsContact SG-NE2 3.37Å; C107-H137 VanDerWaalsContact CB-CD2 3.41Å; C107-H137 WeakPolarHBondContact CB-CD2 3.34Å
108S71Confident69.9Low66 Ų6671 Ų7146%0.46239%0.386SS..  trans5911.9-173.5-55.60000115C104 T110C104-S108 VanDerWaalsContact O-CA 3.26Å; C104-S108 WeakPolarHBondContact O-CA 3.32Å; C104-S108 PolarHBondContact O-N 2.99Å; S108-T110 PolarHBondContact O-N 3.38Å
109Q71Confident70.7Confident77 Ų7767.4 Ų67.436%0.3637%0.366SS..  trans-64130.7171.6-79.9-172-1.800109.6R103 C104 C107 F111R103-Q109 CarbonylContact C-O 3.56Å; R103-Q109 WeakPolarHBondContact CA-O 3.25Å; C104-Q109 PolarHBondContact N-O 3.23Å; C107-Q109 PolarHBondContact O-N 3.42Å; C107-Q109 VanDerWaalsContact O-N 3.1Å; Q109-F111 HydrophobicContact CB-CD2 4.42Å; Q109-F111 HydrophobicContact CB-CE2 3.56Å; Q109-F111 HydrophobicContact CB-CZ 3.86Å; Q109-F111 WeakPolarHBondContact O-CD2 3.48Å; Q109-F111 WeakPolarHBondContact O-CE2 3.26Å
110T70.6Confident71.7Confident67 Ų6760.3 Ų60.341%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-83.2129.9172.831.70000110R103 S108R103-T110 HydrophobicContact CG-CG2 3.66Å; S108-T110 PolarHBondContact O-N 3.38Å
111F71.4Confident72.3Confident25 Ų2557.4 Ų57.411%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-114.5148.4173.9-65.2-88.3000109.5S101 V102 C104 Q109 N113 Q116 L117 H120S101-F111 CarbonylContact C-O 3.57Å; S101-F111 WeakPolarHBondContact CA-O 3.45Å; S101-F111 WeakPolarHBondContact CB-O 3.36Å; V102-F111 PolarHBondContact N-O 3.12Å; V102-F111 PolarHBondContact O-N 3.23Å; C104-F111 HydrophobicContact CB-CD2 4.43Å; C104-F111 HydrophobicContact CB-CE2 3.82Å; Q109-F111 HydrophobicContact CB-CD2 4.42Å; Q109-F111 HydrophobicContact CB-CE2 3.56Å; Q109-F111 HydrophobicContact CB-CZ 3.86Å; Q109-F111 WeakPolarHBondContact O-CD2 3.48Å; Q109-F111 WeakPolarHBondContact O-CE2 3.26Å; F111-N113 PolarHBondContact O-N 2.98Å; F111-Q116 HydrophobicContact CB-CB 4.05Å; F111-Q116 HydrophobicContact CD1-CB 4.07Å; F111-Q116 HydrophobicContact CG-CB 4.48Å; F111-L117 HydrophobicContact CB-CB 4.35Å; F111-L117 HydrophobicContact CD2-CB 4.25Å; F111-L117 HydrophobicContact CD2-CD1 3.8Å; F111-L117 HydrophobicContact CE2-CD1 3.91Å; F111-L117 HydrophobicContact CG-CB 4.31Å; F111-H120 HydrophobicContact CD1-CB 4.46Å; F111-H120 HydrophobicContact CE1-CB 3.66Å; F111-H120 HydrophobicContact CE2-CB 4.25Å; F111-H120 AromaticContact CE2-CG 3.98Å; F111-H120 HydrophobicContact CZ-CB 3.54Å; F111-H120 AromaticContact CZ-CD2 3.93Å; F111-H120 AromaticContact CZ-CE1 3.98Å; F111-H120 AromaticContact CZ-CG 3.38Å; F111-H120 AromaticContact CZ-ND1 3.45Å; F111-H120 WeakPolarHBondContact CZ-ND1 3.35Å
112P67.2Low72.4Confident32 Ų3264.5 Ų64.521%0.20834%0.338CS..SBendtrans-63.4-25.5-179-22.832.7000114.9M94 F95M94-P112 HydrophobicContact CB-CB 4.44Å; M94-P112 HydrophobicContact CE-CB 3.67Å; M94-P112 HydrophobicContact SD-CB 4.11Å; F95-P112 HydrophobicContact CE2-CG 4.21Å; F95-P112 HydrophobicContact CZ-CG 3.94Å
113N72.4Confident72.2Confident45 Ų4568 Ų6824%0.24135%0.353CS..SBendtrans-161.3173.4179.55935.4000111.6E100 F111 T115 Q116 L117E100-N113 WeakPolarHBondContact O-CA 3.47Å; F111-N113 PolarHBondContact O-N 2.98Å; N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.34Å; N113-T115 WeakPolarHBondContact OD1-CB 3.39Å; N113-T115 PolarHBondContact OD1-N 3.25Å; N113-Q116 PolarHBondContact O-N 3Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.21Å; N113-Q116 PolarHBondContact OD1-N 2.99Å; N113-L117 PolarHBondContact O-N 3.18Å
114A78Confident71.8Confident65 Ų6562.6 Ų62.654%0.53733%0.334SS..Hα-helixtrans-61-34.9179.400000113.3V102 Q116 L117 D118V102-A114 HydrophobicContact CG2-CB 4.25Å; A114-Q116 PolarHBondContact O-N 3.36Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.22Å; A114-D118 PolarHBondContact O-N 2.83Å
115T78.1Confident70.9Confident90 Ų9068.3 Ų68.355%0.55237%0.371SS*.Hα-helixtrans-62.6-41.2177.8-51.10000112N113 L117 D118 I119N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.34Å; N113-T115 WeakPolarHBondContact OD1-CB 3.39Å; N113-T115 PolarHBondContact OD1-N 3.25Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-D118 PolarHBondContact O-N 3.25Å; T115-I119 HydrophobicContact CG2-CD1 4.42Å; T115-I119 WeakPolarHBondContact O-CG1 3.34Å; T115-I119 PolarHBondContact O-N 3.44Å
116Q73.5Confident70.2Confident87 Ų8768 Ų6841%0.40737%0.367SS..Hα-helixtrans-70.2-32.6176.9-70.6-66.2-21.800112.1F111 N113 A114 H120F111-Q116 HydrophobicContact CB-CB 4.05Å; F111-Q116 HydrophobicContact CD1-CB 4.07Å; F111-Q116 HydrophobicContact CG-CB 4.48Å; N113-Q116 PolarHBondContact O-N 3Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.21Å; N113-Q116 PolarHBondContact OD1-N 2.99Å; A114-Q116 PolarHBondContact O-N 3.36Å; Q116-H120 WeakPolarHBondContact O-CB 3.44Å; Q116-H120 PolarHBondContact O-N 2.78Å
117L75.3Confident69.6Low18 Ų1875.9 Ų75.99%0.09440%0.397CS..Hα-helixtrans-67.3-39.5170.2177.963.1000111.8V102 C104 F111 N113 A114 T115 H120 Y121V102-L117 HydrophobicContact CB-CD2 4.12Å; V102-L117 HydrophobicContact CG1-CD2 3.42Å; V102-L117 VanDerWaalsContact CG1-CD2 3.42Å; C104-L117 HydrophobicContact CB-CD1 3.6Å; F111-L117 HydrophobicContact CB-CB 4.35Å; F111-L117 HydrophobicContact CD2-CB 4.25Å; F111-L117 HydrophobicContact CD2-CD1 3.8Å; F111-L117 HydrophobicContact CE2-CD1 3.91Å; F111-L117 HydrophobicContact CG-CB 4.31Å; N113-L117 PolarHBondContact O-N 3.18Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.22Å; T115-L117 VanDerWaalsContact C-N 3.34Å; L117-H120 VanDerWaalsContact O-CB 3.3Å; L117-H120 WeakPolarHBondContact O-CB 3.32Å; L117-H120 PolarHBondContact O-N 3.26Å; L117-Y121 HydrophobicContact CD1-CD2 4.04Å; L117-Y121 HydrophobicContact CD1-CE2 3.71Å; L117-Y121 HydrophobicContact CD2-CE2 4.04Å; L117-Y121 HydrophobicContact CG-CD2 3.9Å; L117-Y121 HydrophobicContact CG-CE2 3.69Å; L117-Y121 VanDerWaalsContact O-CD2 3.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.31Å; L117-Y121 PolarHBondContact O-N 2.87Å
118D75.5Confident68.9Low65 Ų6584.3 Ų84.335%0.34844%0.435SS..Hα-helixtrans-64.9-42.1176.5-174.757.9000111.6A114 T115 H120 Y121 R122A114-D118 PolarHBondContact O-N 2.83Å; T115-D118 PolarHBondContact O-N 3.25Å; D118-H120 VanDerWaalsContact C-N 3.29Å; D118-H120 PolarHBondContact O-N 3.04Å; D118-Y121 PolarHBondContact O-N 3.33Å; D118-Y121 VanDerWaalsContact O-N 3.12Å; D118-R122 WeakPolarHBondContact O-CG 3.07Å; D118-R122 PolarHBondContact O-N 2.82Å; D118-R122 IonicContact OD1-NE 2.61Å; D118-R122 IonicContact OD2-CZ 2.87Å; D118-R122 IonicContact OD2-NE 3.99Å; D118-R122 PolarHBondContact OD2-NE 3.05Å; D118-R122 IonicContact OD2-NH2 2.71Å; D118-R122 PolarHBondContact OD2-NH2 3.27Å
119I73.3Confident68.5Low74 Ų7483.8 Ų83.838%0.37943%0.427SS..Hα-helixtrans-58.5-43.5171.4-67.6165.4000110.6T115 Y121 R122 M123T115-I119 HydrophobicContact CG2-CD1 4.42Å; T115-I119 WeakPolarHBondContact O-CG1 3.34Å; T115-I119 PolarHBondContact O-N 3.44Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 2.96Å; I119-R122 PolarHBondContact O-N 3.22Å; I119-M123 HydrophobicContact CG2-SD 4.37Å; I119-M123 WeakPolarHBondContact O-CG 3.36Å; I119-M123 PolarHBondContact O-N 3.02Å
120H75.4Confident68Low10 Ų1085.1 Ų85.15%0.04644%0.436CS..Hα-helixtrans-57.8-45174.1166.784.5000111.7C104 F111 Q116 L117 D118 M123 F124 H133 H137C104-H120 PolarHBondContact SG-NE2 2.84Å; F111-H120 HydrophobicContact CD1-CB 4.46Å; F111-H120 HydrophobicContact CE1-CB 3.66Å; F111-H120 HydrophobicContact CE2-CB 4.25Å; F111-H120 AromaticContact CE2-CG 3.98Å; F111-H120 HydrophobicContact CZ-CB 3.54Å; F111-H120 AromaticContact CZ-CD2 3.93Å; F111-H120 AromaticContact CZ-CE1 3.98Å; F111-H120 AromaticContact CZ-CG 3.38Å; F111-H120 AromaticContact CZ-ND1 3.45Å; F111-H120 WeakPolarHBondContact CZ-ND1 3.35Å; Q116-H120 WeakPolarHBondContact O-CB 3.44Å; Q116-H120 PolarHBondContact O-N 2.78Å; L117-H120 VanDerWaalsContact O-CB 3.3Å; L117-H120 WeakPolarHBondContact O-CB 3.32Å; L117-H120 PolarHBondContact O-N 3.26Å; D118-H120 VanDerWaalsContact C-N 3.29Å; D118-H120 PolarHBondContact O-N 3.04Å; H120-M123 PolarHBondContact O-N 3.46Å; H120-F124 AromaticContact ND1-CE2 3.92Å; H120-F124 WeakPolarHBondContact O-CD2 3.46Å; H120-H133 AromaticContact CE1-CE1 3.76Å; H120-H133 AromaticContact NE2-CE1 3.38Å; H120-H133 PolarHBondContact NE2-CE1 3.27Å; H120-H133 AromaticContact NE2-NE2 3.96Å; H120-H137 AromaticContact CE1-CE1 3.67Å; H120-H137 AromaticContact CE1-NE2 3.47Å; H120-H137 PolarHBondContact CE1-NE2 3.12Å
121Y71.9Confident67.4Low82 Ų8284.5 Ų84.532%0.32244%0.438SS..Hα-helixtrans-65.4-41.2174.7-81.1-65.3000113.6P105 L117 D118 I119 M123 F124P105-Y121 WeakPolarHBondContact CD-OH 3.46Å; L117-Y121 HydrophobicContact CD1-CD2 4.04Å; L117-Y121 HydrophobicContact CD1-CE2 3.71Å; L117-Y121 HydrophobicContact CD2-CE2 4.04Å; L117-Y121 HydrophobicContact CG-CD2 3.9Å; L117-Y121 HydrophobicContact CG-CE2 3.69Å; L117-Y121 VanDerWaalsContact O-CD2 3.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.31Å; L117-Y121 PolarHBondContact O-N 2.87Å; D118-Y121 PolarHBondContact O-N 3.33Å; D118-Y121 VanDerWaalsContact O-N 3.12Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 2.96Å; Y121-M123 VanDerWaalsContact C-N 3.25Å; Y121-M123 PolarHBondContact O-N 2.93Å; Y121-F124 CarbonylContact O-C 3.52Å; Y121-F124 WeakPolarHBondContact O-CA 3.42Å; Y121-F124 PolarHBondContact O-N 3.43Å
122R72Confident67Low184 Ų18489.3 Ų89.369%0.69446%0.459SS*.Hα-helixtrans-64-31.3178.8-71.1-178.7-165.2-159.94.8112.9D118 I119 F124D118-R122 WeakPolarHBondContact O-CG 3.07Å; D118-R122 PolarHBondContact O-N 2.82Å; D118-R122 IonicContact OD1-NE 2.61Å; D118-R122 IonicContact OD2-CZ 2.87Å; D118-R122 IonicContact OD2-NE 3.99Å; D118-R122 PolarHBondContact OD2-NE 3.05Å; D118-R122 IonicContact OD2-NH2 2.71Å; D118-R122 PolarHBondContact OD2-NH2 3.27Å; I119-R122 PolarHBondContact O-N 3.22Å; R122-F124 PolarHBondContact O-N 3.11Å
123M65.1Low66.9Low124 Ų12489 Ų8961%0.61145%0.454SS*.THydrogen-bonded Turntrans-66.2-17172.4-73179.160.300112.7I119 H120 Y121I119-M123 HydrophobicContact CG2-SD 4.37Å; I119-M123 WeakPolarHBondContact O-CG 3.36Å; I119-M123 PolarHBondContact O-N 3.02Å; H120-M123 PolarHBondContact O-N 3.46Å; Y121-M123 VanDerWaalsContact C-N 3.25Å; Y121-M123 PolarHBondContact O-N 2.93Å
124F63Low66.4Low64 Ų6488.2 Ų88.228%0.28145%0.452SS..  trans-133.681.1-176.9-53.4-64.8000110.7H120 Y121 R122 V126 I136H120-F124 AromaticContact ND1-CE2 3.92Å; H120-F124 WeakPolarHBondContact O-CD2 3.46Å; Y121-F124 CarbonylContact O-C 3.52Å; Y121-F124 WeakPolarHBondContact O-CA 3.42Å; Y121-F124 PolarHBondContact O-N 3.43Å; R122-F124 PolarHBondContact O-N 3.11Å; F124-V126 PolarHBondContact O-N 2.82Å; F124-I136 HydrophobicContact CE1-CG2 4.46Å
125P55.8Low65.7Low119 Ų11990 Ų9077%0.77345%0.452SS*.  trans-64.111.3-171.7-20.632000116.9
126V56.3Low64.9Low100 Ų10090.8 Ų90.861%0.60645%0.451SS*.  trans-122.398.7-172.1-169.20000109.4F124 E128F124-V126 PolarHBondContact O-N 2.82Å; V126-E128 PolarHBondContact O-N 3.05Å
127K55.6Low64.4Low193 Ų19387.9 Ų87.984%0.83944%0.437SS*.THydrogen-bonded Turntrans-71.5-11.7176-79.5-175.8174.7179.60113.7
128E54.7Low64.1Low184 Ų18487 Ų8786%0.8643%0.433SS*.THydrogen-bonded Turntrans-100.41-157.8-71.7172.5164.600115.9V126V126-E128 PolarHBondContact O-N 3.05Å
129D61.9Low64.1Low55 Ų5589.1 Ų89.129%0.29444%0.441SS..  trans-141.186.8177.2-154.4-19.3000112.3A131 K132 H133D129-A131 PolarHBondContact O-N 2.82Å; D129-A131 VanDerWaalsContact O-N 3.16Å; D129-A131 WeakPolarHBondContact OD1-CB 3.28Å; D129-A131 PolarHBondContact OD1-N 3.09Å; D129-K132 HydrophobicContact CB-CB 4.06Å; D129-K132 HydrophobicContact CB-CD 3.94Å; D129-K132 HydrophobicContact CB-CG 3.98Å; D129-K132 PolarHBondContact O-N 3.03Å; D129-K132 WeakPolarHBondContact OD2-CD 3.35Å; D129-K132 VanDerWaalsContact OD2-CE 3.24Å; D129-K132 WeakPolarHBondContact OD2-CE 3.38Å; D129-K132 WeakPolarHBondContact OD2-CG 3.38Å; D129-K132 IonicContact OD2-NZ 3.1Å; D129-K132 PolarHBondContact OD2-NZ 3.4Å; D129-H133 PolarHBondContact O-N 3.22Å
130L60.4Low64.3Low104 Ų10489.2 Ų89.255%0.54544%0.437SS..Hα-helixtrans-53.2-31.8174.2-177.561.9000111.5A106 H133 V134A106-L130 VanDerWaalsContact CA-CD1 3.47Å; A106-L130 HydrophobicContact CB-CD1 3.47Å; A106-L130 VanDerWaalsContact CB-CD1 3.47Å; A106-L130 VanDerWaalsContact O-CD1 3.25Å; A106-L130 WeakPolarHBondContact O-CD1 3.38Å; L130-H133 PolarHBondContact O-N 3.25Å; L130-V134 HydrophobicContact CD1-CG2 4.29Å; L130-V134 HydrophobicContact CG-CG2 4.4Å; L130-V134 VanDerWaalsContact O-CB 3.32Å; L130-V134 WeakPolarHBondContact O-CB 3.43Å; L130-V134 WeakPolarHBondContact O-CG2 3.3Å; L130-V134 PolarHBondContact O-N 3.47Å
131A59Low64.5Low55 Ų5596 Ų9646%0.45546%0.462SS..Hα-helixtrans-66.6-43.2176.900000111.3D129 V134 L135D129-A131 PolarHBondContact O-N 2.82Å; D129-A131 VanDerWaalsContact O-N 3.16Å; D129-A131 WeakPolarHBondContact OD1-CB 3.28Å; D129-A131 PolarHBondContact OD1-N 3.09Å; A131-V134 PolarHBondContact O-N 3.38Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 WeakPolarHBondContact O-CD1 3.18Å; A131-L135 WeakPolarHBondContact O-CG 3.23Å; A131-L135 PolarHBondContact O-N 3.49Å
132K62.6Low64.9Low125 Ų12592.1 Ų92.154%0.54345%0.447SS..Hα-helixtrans-65.7-42.3173.9-69.3-179.2-177.6117.60112.1D129 V134 L135 I136D129-K132 HydrophobicContact CB-CB 4.06Å; D129-K132 HydrophobicContact CB-CD 3.94Å; D129-K132 HydrophobicContact CB-CG 3.98Å; D129-K132 PolarHBondContact O-N 3.03Å; D129-K132 WeakPolarHBondContact OD2-CD 3.35Å; D129-K132 VanDerWaalsContact OD2-CE 3.24Å; D129-K132 WeakPolarHBondContact OD2-CE 3.38Å; D129-K132 WeakPolarHBondContact OD2-CG 3.38Å; D129-K132 IonicContact OD2-NZ 3.1Å; D129-K132 PolarHBondContact OD2-NZ 3.4Å; K132-V134 VanDerWaalsContact C-N 3.29Å; K132-V134 PolarHBondContact O-N 3.4Å; K132-L135 PolarHBondContact O-N 3.36Å; K132-I136 WeakPolarHBondContact O-CD1 3.47Å; K132-I136 VanDerWaalsContact O-CG1 3.27Å; K132-I136 WeakPolarHBondContact O-CG1 3.34Å; K132-I136 PolarHBondContact O-N 3.39Å; K132-I136 VanDerWaalsContact O-N 3.1Å
133H65.4Low65.3Low25 Ų2587.9 Ų87.912%0.11645%0.445CS..Hα-helixtrans-56.9-45.5174.8179.582.9000111.2A106 C107 H120 D129 L130 H137A106-H133 WeakPolarHBondContact CB-CD2 3.45Å; A106-H133 WeakPolarHBondContact CB-NE2 3.28Å; C107-H133 WeakPolarHBondContact CB-NE2 3.24Å; C107-H133 PolarHBondContact N-NE2 3.1Å; C107-H133 PolarHBondContact SG-NE2 3.27Å; C107-H133 VanDerWaalsContact SG-NE2 3.37Å; H120-H133 AromaticContact CE1-CE1 3.76Å; H120-H133 AromaticContact NE2-CE1 3.38Å; H120-H133 PolarHBondContact NE2-CE1 3.27Å; H120-H133 AromaticContact NE2-NE2 3.96Å; D129-H133 PolarHBondContact O-N 3.22Å; L130-H133 PolarHBondContact O-N 3.25Å; H133-H137 AromaticContact CD2-CD2 3.78Å; H133-H137 AromaticContact CE1-CD2 3.78Å; H133-H137 AromaticContact CE1-NE2 3.28Å; H133-H137 PolarHBondContact CE1-NE2 2.98Å; H133-H137 VanDerWaalsContact CE1-NE2 3.28Å; H133-H137 AromaticContact ND1-NE2 3.87Å; H133-H137 AromaticContact NE2-CD2 3.51Å; H133-H137 AromaticContact NE2-NE2 3.43Å; H133-H137 PolarHBondContact NE2-NE2 3.3Å; H133-H137 PolarHBondContact O-CD2 3.26Å; H133-H137 PolarHBondContact O-N 3.14Å
134V61.3Low65.7Low30 Ų3086.7 Ų86.718%0.18244%0.442CS..Hα-helixtrans-68-41.2177.8163.80000112.4L130 A131 K132 I136 H137 G138L130-V134 HydrophobicContact CD1-CG2 4.29Å; L130-V134 HydrophobicContact CG-CG2 4.4Å; L130-V134 VanDerWaalsContact O-CB 3.32Å; L130-V134 WeakPolarHBondContact O-CB 3.43Å; L130-V134 WeakPolarHBondContact O-CG2 3.3Å; L130-V134 PolarHBondContact O-N 3.47Å; A131-V134 PolarHBondContact O-N 3.38Å; K132-V134 VanDerWaalsContact C-N 3.29Å; K132-V134 PolarHBondContact O-N 3.4Å; V134-I136 VanDerWaalsContact C-N 3.28Å; V134-I136 PolarHBondContact O-N 3.41Å; V134-H137 CarbonylContact O-C 3.53Å; V134-H137 PolarHBondContact O-N 3.26Å; V134-G138 CarbonylContact O-C 3.54Å; V134-G138 VanDerWaalsContact O-C 3.25Å; V134-G138 WeakPolarHBondContact O-CA 3.16Å; V134-G138 PolarHBondContact O-N 3.13Å
135L63Low66.3Low103 Ų10386.8 Ų86.854%0.53945%0.449SS..Hα-helixtrans-61.5-35.2178.2-77.8160.6000112.4A131 K132 G138A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 WeakPolarHBondContact O-CD1 3.18Å; A131-L135 WeakPolarHBondContact O-CG 3.23Å; A131-L135 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 3.36Å; L135-G138 PolarHBondContact O-N 3.34Å
136I61.1Low67.2Low105 Ų10582.4 Ų82.454%0.53843%0.426SS..Hα-helixtrans-70.8-40.4177-64.9163000111.5F124 K132 V134 G138F124-I136 HydrophobicContact CE1-CG2 4.46Å; K132-I136 WeakPolarHBondContact O-CD1 3.47Å; K132-I136 VanDerWaalsContact O-CG1 3.27Å; K132-I136 WeakPolarHBondContact O-CG1 3.34Å; K132-I136 PolarHBondContact O-N 3.39Å; K132-I136 VanDerWaalsContact O-N 3.1Å; V134-I136 VanDerWaalsContact C-N 3.28Å; V134-I136 PolarHBondContact O-N 3.41Å; I136-G138 PolarHBondContact O-N 2.94Å
137H63.5Low67.9Low26 Ų2685.2 Ų85.212%0.1243%0.425CS..Hα-helixtrans-72.5-21.5171.5-67.3-53.8000112.5C107 H120 H133 V134 R148 F149C107-H137 VanDerWaalsContact CB-CD2 3.41Å; C107-H137 WeakPolarHBondContact CB-CD2 3.34Å; H120-H137 AromaticContact CE1-CE1 3.67Å; H120-H137 AromaticContact CE1-NE2 3.47Å; H120-H137 PolarHBondContact CE1-NE2 3.12Å; H133-H137 AromaticContact CD2-CD2 3.78Å; H133-H137 AromaticContact CE1-CD2 3.78Å; H133-H137 AromaticContact CE1-NE2 3.28Å; H133-H137 PolarHBondContact CE1-NE2 2.98Å; H133-H137 VanDerWaalsContact CE1-NE2 3.28Å; H133-H137 AromaticContact ND1-NE2 3.87Å; H133-H137 AromaticContact NE2-CD2 3.51Å; H133-H137 AromaticContact NE2-NE2 3.43Å; H133-H137 PolarHBondContact NE2-NE2 3.3Å; H133-H137 PolarHBondContact O-CD2 3.26Å; H133-H137 PolarHBondContact O-N 3.14Å; V134-H137 CarbonylContact O-C 3.53Å; V134-H137 PolarHBondContact O-N 3.26Å; H137-R148 HydrophobicContact CB-CB 4.15Å; H137-R148 CarbonylContact O-C 3.57Å; H137-R148 WeakPolarHBondContact O-CB 3.37Å; H137-F149 PolarHBondContact O-N 2.61Å
138G68.6Low68.9Low1 Ų178.5 Ų78.51%0.0140%0.395CS..  trans92.3138.4-173.400000113.3V134 L135 I136 W140 R148 F149V134-G138 CarbonylContact O-C 3.54Å; V134-G138 VanDerWaalsContact O-C 3.25Å; V134-G138 WeakPolarHBondContact O-CA 3.16Å; V134-G138 PolarHBondContact O-N 3.13Å; L135-G138 PolarHBondContact O-N 3.34Å; I136-G138 PolarHBondContact O-N 2.94Å; G138-W140 VanDerWaalsContact C-N 3.27Å; G138-W140 PolarHBondContact O-N 2.95Å; G138-R148 PolarHBondContact O-NE 3.23Å; G138-F149 CarbonylContact C-O 3.49Å; G138-F149 VanDerWaalsContact C-O 3.22Å; G138-F149 WeakPolarHBondContact CA-O 3.06Å
139Q76.1Confident69.8Low109 Ų10971 Ų7151%0.50936%0.36SS..SBendtrans-70.8-25.2-178.767.5-172.417.500112.8R141 F149Q139-R141 PolarHBondContact O-N 3.27Å; Q139-F149 PolarHBondContact N-O 2.97Å
140W76.9Confident70.5Confident75 Ų7572.9 Ų72.928%0.28437%0.373SS..EExtended strand (participates in β ladder)trans-85.9108.7-172.5-55.697.9000110.7G138 R148 F149 D151 E152 L155G138-W140 VanDerWaalsContact C-N 3.27Å; G138-W140 PolarHBondContact O-N 2.95Å; W140-R148 CarbonylContact O-C 3.47Å; W140-R148 WeakPolarHBondContact O-CA 3.36Å; W140-F149 HydrophobicContact CB-CB 4.21Å; W140-F149 WeakPolarHBondContact CB-O 3.33Å; W140-F149 PolarHBondContact N-O 3.34Å; W140-F149 VanDerWaalsContact N-O 3.13Å; W140-F149 PolarHBondContact O-N 3.21Å; W140-D151 VanDerWaalsContact CD1-CA 3.49Å; W140-E152 VanDerWaalsContact CD1-N 3.34Å; W140-E152 HydrophobicContact CD2-CB 3.74Å; W140-E152 HydrophobicContact CD2-CG 4.01Å; W140-E152 HydrophobicContact CE3-CB 3.96Å; W140-E152 HydrophobicContact CE3-CG 3.69Å; W140-E152 HydrophobicContact CG-CB 4.36Å; W140-E152 HydrophobicContact CH2-CB 3.86Å; W140-E152 HydrophobicContact CH2-CG 3.81Å; W140-E152 WeakPolarHBondContact CH2-OE2 3.43Å; W140-E152 HydrophobicContact CZ2-CB 3.66Å; W140-E152 HydrophobicContact CZ2-CG 4.15Å; W140-E152 HydrophobicContact CZ3-CB 4.01Å; W140-E152 VanDerWaalsContact CZ3-CD 3.49Å; W140-E152 HydrophobicContact CZ3-CG 3.57Å; W140-L155 HydrophobicContact CB-CB 3.86Å; W140-L155 HydrophobicContact CB-CD2 3.76Å; W140-L155 HydrophobicContact CB-CG 4.39Å; W140-L155 HydrophobicContact CE3-CD2 4.39Å
141R80.1Confident71.1Confident153 Ų15371 Ų7158%0.57736%0.363SS*.EExtended strand (participates in β ladder)trans-99.2130.8-178.8-172.6-176.4-171.4-164.40.6110.5Q139 S143Q139-R141 PolarHBondContact O-N 3.27Å; R141-S143 PolarHBondContact O-N 2.8Å
142C80Confident72.2Confident1 Ų172.4 Ų72.41%0.00736%0.361CS..  trans-72.3126170.91770000111.1D144 G146 R147 F149 L155 H158 H162C142-D144 VanDerWaalsContact C-N 3.3Å; C142-D144 PolarHBondContact O-N 3.26Å; C142-D144 PolarHBondContact SG-N 3.45Å; C142-D144 VanDerWaalsContact SG-N 3.4Å; C142-G146 WeakPolarHBondContact O-CA 3.46Å; C142-G146 PolarHBondContact O-N 3.37Å; C142-R147 WeakPolarHBondContact CB-O 3.48Å; C142-R147 PolarHBondContact N-O 3.12Å; C142-F149 HydrophobicContact CB-CE2 4.2Å; C142-L155 VanDerWaalsContact CA-CD1 3.41Å; C142-L155 HydrophobicContact CB-CD1 3.59Å; C142-H158 VanDerWaalsContact SG-CD2 3.54Å; C142-H158 PolarHBondContact SG-NE2 3.41Å; C142-H158 VanDerWaalsContact SG-NE2 3.43Å; C142-H162 PolarHBondContact SG-CD2 2.78Å; C142-H162 PolarHBondContact SG-NE2 3.38Å
143S80.9Confident73.1Confident95 Ų9570.2 Ų70.266%0.66435%0.354SS*.THydrogen-bonded Turntrans-57.8-39.9173.847.80000112.6R141R141-S143 PolarHBondContact O-N 2.8Å
144D73.1Confident73.7Confident99 Ų9972.9 Ų72.953%0.52937%0.366SS..THydrogen-bonded Turntrans-84.4-25.6-167.7-44-37.5000113.2C142 H162C142-D144 VanDerWaalsContact C-N 3.3Å; C142-D144 PolarHBondContact O-N 3.26Å; C142-D144 PolarHBondContact SG-N 3.45Å; C142-D144 VanDerWaalsContact SG-N 3.4Å; D144-H162 HydrophobicContact CB-CB 4.08Å; D144-H162 WeakPolarHBondContact OD2-CB 3.49Å; D144-H162 IonicContact OD2-CD2 2.75Å; D144-H162 PolarHBondContact OD2-CD2 3.46Å; D144-H162 IonicContact OD2-CG 3.96Å
145C77Confident74.6Confident65 Ų6572.1 Ų72.144%0.43936%0.361SS..THydrogen-bonded Turntrans-136.30.3-178.378.10000115.4R147 H158 H162C145-R147 PolarHBondContact O-N 3.23Å; C145-R147 VanDerWaalsContact O-N 3.12Å; C145-R147 WeakPolarHBondContact SG-CB 3.24Å; C145-H158 VanDerWaalsContact SG-CE1 3.59Å; C145-H158 PolarHBondContact SG-NE2 2.85Å; C145-H162 PolarHBondContact SG-NE2 3.47Å; C145-H162 VanDerWaalsContact SG-NE2 3.43Å
146G73.7Confident75.4Confident27 Ų2770.3 Ų70.328%0.27835%0.349SS..  trans71.6-0.4179.200000115.5C142C142-G146 WeakPolarHBondContact O-CA 3.46Å; C142-G146 PolarHBondContact O-N 3.37Å
147R71.8Confident76Confident160 Ų16067.4 Ų67.460%0.60433%0.332SS*.  trans-64.9138.7-180-171170.1-178.2171.67.1111C142 C145 F149C142-R147 WeakPolarHBondContact CB-O 3.48Å; C142-R147 PolarHBondContact N-O 3.12Å; C145-R147 PolarHBondContact O-N 3.23Å; C145-R147 VanDerWaalsContact O-N 3.12Å; C145-R147 WeakPolarHBondContact SG-CB 3.24Å; R147-F149 HydrophobicContact CB-CE2 3.9Å; R147-F149 HydrophobicContact CB-CZ 4.16Å; R147-F149 HydrophobicContact CG-CE2 3.85Å; R147-F149 HydrophobicContact CG-CZ 3.74Å; R147-F149 WeakPolarHBondContact O-CE2 2.97Å
148R76Confident76.6Confident52 Ų5267.1 Ų67.120%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-100.5144.7-177.4-53.9-169.488.1-158.713.6111.3H137 G138 W140H137-R148 HydrophobicContact CB-CB 4.15Å; H137-R148 CarbonylContact O-C 3.57Å; H137-R148 WeakPolarHBondContact O-CB 3.37Å; G138-R148 PolarHBondContact O-NE 3.23Å; W140-R148 CarbonylContact O-C 3.47Å; W140-R148 WeakPolarHBondContact O-CA 3.36Å
149F74.4Confident77Confident27 Ų2770.1 Ų70.112%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-135.1138.7-175.3-63.7-87000110.5H137 G138 Q139 W140 C142 R147 D151 F154 L155 H158H137-F149 PolarHBondContact O-N 2.61Å; G138-F149 CarbonylContact C-O 3.49Å; G138-F149 VanDerWaalsContact C-O 3.22Å; G138-F149 WeakPolarHBondContact CA-O 3.06Å; Q139-F149 PolarHBondContact N-O 2.97Å; W140-F149 HydrophobicContact CB-CB 4.21Å; W140-F149 WeakPolarHBondContact CB-O 3.33Å; W140-F149 PolarHBondContact N-O 3.34Å; W140-F149 VanDerWaalsContact N-O 3.13Å; W140-F149 PolarHBondContact O-N 3.21Å; C142-F149 HydrophobicContact CB-CE2 4.2Å; R147-F149 HydrophobicContact CB-CE2 3.9Å; R147-F149 HydrophobicContact CB-CZ 4.16Å; R147-F149 HydrophobicContact CG-CE2 3.85Å; R147-F149 HydrophobicContact CG-CZ 3.74Å; R147-F149 WeakPolarHBondContact O-CE2 2.97Å; F149-D151 PolarHBondContact O-N 2.9Å; F149-F154 HydrophobicContact CB-CB 4.16Å; F149-F154 HydrophobicContact CD1-CB 3.75Å; F149-F154 HydrophobicContact CG-CB 4.28Å; F149-L155 HydrophobicContact CB-CB 4.11Å; F149-L155 HydrophobicContact CD2-CB 3.93Å; F149-L155 HydrophobicContact CD2-CD1 3.84Å; F149-L155 HydrophobicContact CE2-CD1 4.12Å; F149-L155 HydrophobicContact CG-CB 4.14Å; F149-H158 HydrophobicContact CE1-CB 3.63Å; F149-H158 AromaticContact CE1-CG 3.93Å; F149-H158 HydrophobicContact CE2-CB 3.8Å; F149-H158 AromaticContact CE2-CD2 3.19Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.36Å; F149-H158 AromaticContact CE2-CG 3.55Å; F149-H158 AromaticContact CE2-NE2 3.86Å; F149-H158 HydrophobicContact CZ-CB 3.23Å; F149-H158 AromaticContact CZ-CD2 3.23Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.24Å; F149-H158 AromaticContact CZ-CG 3.05Å; F149-H158 AromaticContact CZ-ND1 3.65Å; F149-H158 AromaticContact CZ-NE2 3.82Å
150T75.1Confident76.8Confident93 Ų9368.3 Ų68.357%0.57134%0.337SS*.SBendtrans-70.7-21-176.852.90000113.2
151D74.8Confident76.5Confident65 Ų6571.6 Ų71.635%0.34835%0.354SS..SBendtrans-144.3147.2-176.6149.570.8000110.2W140 F149 L153 F154 L155W140-D151 VanDerWaalsContact CD1-CA 3.49Å; F149-D151 PolarHBondContact O-N 2.9Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.36Å; D151-L153 VanDerWaalsContact OD2-CB 3.31Å; D151-L153 WeakPolarHBondContact OD2-CB 3.46Å; D151-L153 PolarHBondContact OD2-N 3Å; D151-F154 HydrophobicContact CB-CD2 3.89Å; D151-F154 HydrophobicContact CB-CE2 4.48Å; D151-F154 PolarHBondContact O-N 3.49Å; D151-F154 VanDerWaalsContact O-N 3.11Å; D151-F154 WeakPolarHBondContact OD2-CD2 3.27Å; D151-F154 PolarHBondContact OD2-N 2.99Å; D151-L155 PolarHBondContact O-N 2.86Å
152E82.1Confident76.1Confident85 Ų8567.6 Ų67.640%0.39734%0.341SS..Hα-helixtrans-62.6-39.3-173-166.6178.2172.300111W140 F154 L155 Q156W140-E152 VanDerWaalsContact CD1-N 3.34Å; W140-E152 HydrophobicContact CD2-CB 3.74Å; W140-E152 HydrophobicContact CD2-CG 4.01Å; W140-E152 HydrophobicContact CE3-CB 3.96Å; W140-E152 HydrophobicContact CE3-CG 3.69Å; W140-E152 HydrophobicContact CG-CB 4.36Å; W140-E152 HydrophobicContact CH2-CB 3.86Å; W140-E152 HydrophobicContact CH2-CG 3.81Å; W140-E152 WeakPolarHBondContact CH2-OE2 3.43Å; W140-E152 HydrophobicContact CZ2-CB 3.66Å; W140-E152 HydrophobicContact CZ2-CG 4.15Å; W140-E152 HydrophobicContact CZ3-CB 4.01Å; W140-E152 VanDerWaalsContact CZ3-CD 3.49Å; W140-E152 HydrophobicContact CZ3-CG 3.57Å; E152-F154 PolarHBondContact O-N 3.3Å; E152-L155 WeakPolarHBondContact O-CA 3.41Å; E152-L155 WeakPolarHBondContact O-CB 3.31Å; E152-L155 PolarHBondContact O-N 3.45Å; E152-Q156 HydrophobicContact CG-CG 4.4Å; E152-Q156 WeakPolarHBondContact O-CG 3.24Å; E152-Q156 PolarHBondContact O-N 3.33Å; E152-Q156 PolarHBondContact OE1-NE2 3.36Å
153L79.6Confident75.4Confident79 Ų7970 Ų7041%0.41436%0.358SS..Hα-helixtrans-63-29.9178.4-177.771.2000111.7D151 R157 L172D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.36Å; D151-L153 VanDerWaalsContact OD2-CB 3.31Å; D151-L153 WeakPolarHBondContact OD2-CB 3.46Å; D151-L153 PolarHBondContact OD2-N 3Å; L153-R157 WeakPolarHBondContact O-CB 3.34Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.33Å; L153-R157 PolarHBondContact O-N 3.28Å; L153-R157 PolarHBondContact O-NE 3.27Å; L153-L172 HydrophobicContact CD1-CD2 3.97Å
154F78.3Confident74.2Confident81 Ų8171.5 Ų71.536%0.35537%0.369SS..Hα-helixtrans-74.3-36.6171.7-73.3-76.4000113F149 D151 E152 R157 H158F149-F154 HydrophobicContact CB-CB 4.16Å; F149-F154 HydrophobicContact CD1-CB 3.75Å; F149-F154 HydrophobicContact CG-CB 4.28Å; D151-F154 HydrophobicContact CB-CD2 3.89Å; D151-F154 HydrophobicContact CB-CE2 4.48Å; D151-F154 PolarHBondContact O-N 3.49Å; D151-F154 VanDerWaalsContact O-N 3.11Å; D151-F154 WeakPolarHBondContact OD2-CD2 3.27Å; D151-F154 PolarHBondContact OD2-N 2.99Å; E152-F154 PolarHBondContact O-N 3.3Å; F154-R157 VanDerWaalsContact CG-NH2 3.29Å; F154-R157 VanDerWaalsContact CZ-NH2 3.34Å; F154-H158 VanDerWaalsContact O-CB 3.3Å; F154-H158 WeakPolarHBondContact O-CB 3.45Å; F154-H158 PolarHBondContact O-N 2.87Å
155L81.1Confident73.1Confident14 Ų1473.4 Ų73.47%0.07338%0.375CS..Hα-helixtrans-62.1-51.5173.3167.861000110.6W140 C142 F149 D151 E152 R157 H158 Q159W140-L155 HydrophobicContact CB-CB 3.86Å; W140-L155 HydrophobicContact CB-CD2 3.76Å; W140-L155 HydrophobicContact CB-CG 4.39Å; W140-L155 HydrophobicContact CE3-CD2 4.39Å; C142-L155 VanDerWaalsContact CA-CD1 3.41Å; C142-L155 HydrophobicContact CB-CD1 3.59Å; F149-L155 HydrophobicContact CB-CB 4.11Å; F149-L155 HydrophobicContact CD2-CB 3.93Å; F149-L155 HydrophobicContact CD2-CD1 3.84Å; F149-L155 HydrophobicContact CE2-CD1 4.12Å; F149-L155 HydrophobicContact CG-CB 4.14Å; D151-L155 PolarHBondContact O-N 2.86Å; E152-L155 WeakPolarHBondContact O-CA 3.41Å; E152-L155 WeakPolarHBondContact O-CB 3.31Å; E152-L155 PolarHBondContact O-N 3.45Å; L155-R157 PolarHBondContact O-N 2.76Å; L155-H158 CarbonylContact O-C 3.57Å; L155-H158 WeakPolarHBondContact O-CA 3.46Å; L155-H158 WeakPolarHBondContact O-CB 3.13Å; L155-H158 PolarHBondContact O-N 2.89Å; L155-Q159 HydrophobicContact CD1-CG 3.94Å; L155-Q159 HydrophobicContact CG-CG 4.47Å; L155-Q159 WeakPolarHBondContact O-CG 3.42Å; L155-Q159 PolarHBondContact O-N 3.29Å
156Q78.8Confident71.5Confident64 Ų6474.2 Ų74.230%0.29939%0.386SS..Hα-helixtrans-55.8-49.7178.4-69175.71.200110.8E152 H158 Q159 L160 L172E152-Q156 HydrophobicContact CG-CG 4.4Å; E152-Q156 WeakPolarHBondContact O-CG 3.24Å; E152-Q156 PolarHBondContact O-N 3.33Å; E152-Q156 PolarHBondContact OE1-NE2 3.36Å; Q156-H158 PolarHBondContact O-N 3.4Å; Q156-Q159 PolarHBondContact O-N 2.75Å; Q156-Q159 VanDerWaalsContact O-N 3.15Å; Q156-L160 WeakPolarHBondContact O-CG 3.42Å; Q156-L160 PolarHBondContact O-N 3.04Å; Q156-L172 HydrophobicContact CB-CD1 4.43Å
157R74Confident70.3Confident45 Ų4577.3 Ų77.317%0.1740%0.395CS..Hα-helixtrans-61.2-28.6175.3-78.1-177.9-67.2-178.4-8.2114.1L153 F154 L155L153-R157 WeakPolarHBondContact O-CB 3.34Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.33Å; L153-R157 PolarHBondContact O-N 3.28Å; L153-R157 PolarHBondContact O-NE 3.27Å; F154-R157 VanDerWaalsContact CG-NH2 3.29Å; F154-R157 VanDerWaalsContact CZ-NH2 3.34Å; L155-R157 PolarHBondContact O-N 2.76Å
158H76.9Confident69.2Low20 Ų2080.7 Ų80.79%0.09341%0.408CS..Hα-helixtrans-77.1-40.2175.6165.169.1000112C142 C145 F149 F154 L155 Q156 L160 K161 H162C142-H158 VanDerWaalsContact SG-CD2 3.54Å; C142-H158 PolarHBondContact SG-NE2 3.41Å; C142-H158 VanDerWaalsContact SG-NE2 3.43Å; C145-H158 VanDerWaalsContact SG-CE1 3.59Å; C145-H158 PolarHBondContact SG-NE2 2.85Å; F149-H158 HydrophobicContact CE1-CB 3.63Å; F149-H158 AromaticContact CE1-CG 3.93Å; F149-H158 HydrophobicContact CE2-CB 3.8Å; F149-H158 AromaticContact CE2-CD2 3.19Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.36Å; F149-H158 AromaticContact CE2-CG 3.55Å; F149-H158 AromaticContact CE2-NE2 3.86Å; F149-H158 HydrophobicContact CZ-CB 3.23Å; F149-H158 AromaticContact CZ-CD2 3.23Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.24Å; F149-H158 AromaticContact CZ-CG 3.05Å; F149-H158 AromaticContact CZ-ND1 3.65Å; F149-H158 AromaticContact CZ-NE2 3.82Å; F154-H158 VanDerWaalsContact O-CB 3.3Å; F154-H158 WeakPolarHBondContact O-CB 3.45Å; F154-H158 PolarHBondContact O-N 2.87Å; L155-H158 CarbonylContact O-C 3.57Å; L155-H158 WeakPolarHBondContact O-CA 3.46Å; L155-H158 WeakPolarHBondContact O-CB 3.13Å; L155-H158 PolarHBondContact O-N 2.89Å; Q156-H158 PolarHBondContact O-N 3.4Å; H158-L160 PolarHBondContact O-N 2.74Å; H158-K161 VanDerWaalsContact O-CB 3.28Å; H158-K161 WeakPolarHBondContact O-CB 3.36Å; H158-K161 PolarHBondContact O-N 3.26Å; H158-H162 AromaticContact CD2-NE2 3.68Å; H158-H162 AromaticContact CE1-CE1 3.69Å; H158-H162 AromaticContact CE1-NE2 3.25Å; H158-H162 PolarHBondContact CE1-NE2 2.96Å; H158-H162 VanDerWaalsContact CE1-NE2 3.25Å; H158-H162 AromaticContact NE2-CD2 3.87Å; H158-H162 AromaticContact NE2-CE1 3.74Å; H158-H162 AromaticContact NE2-NE2 2.92Å; H158-H162 PolarHBondContact NE2-NE2 2.71Å
159Q76.3Confident67.6Low63 Ų6385.6 Ų85.629%0.29443%0.431SS..Hα-helixtrans-59.4-32175.7-73.6169.4-47.500112L155 Q156 K161 H162 S163L155-Q159 HydrophobicContact CD1-CG 3.94Å; L155-Q159 HydrophobicContact CG-CG 4.47Å; L155-Q159 WeakPolarHBondContact O-CG 3.42Å; L155-Q159 PolarHBondContact O-N 3.29Å; Q156-Q159 PolarHBondContact O-N 2.75Å; Q156-Q159 VanDerWaalsContact O-N 3.15Å; Q159-K161 PolarHBondContact O-N 2.91Å; Q159-H162 PolarHBondContact O-N 3.01Å; Q159-S163 PolarHBondContact O-N 3.34Å
160L72.5Confident66.1Low71 Ų7190 Ų9037%0.37247%0.472SS..THydrogen-bonded Turntrans-56.1-21.3170.7-62.5178.7000114Q156 H158Q156-L160 WeakPolarHBondContact O-CG 3.42Å; Q156-L160 PolarHBondContact O-N 3.04Å; H158-L160 PolarHBondContact O-N 2.74Å
161K70.1Confident64.9Low145 Ų14589 Ų8963%0.6348%0.481SS*.THydrogen-bonded Turntrans-83.7-19.7176.2-59.8-175.1177.2-175.80113.7H158 Q159H158-K161 VanDerWaalsContact O-CB 3.28Å; H158-K161 WeakPolarHBondContact O-CB 3.36Å; H158-K161 PolarHBondContact O-N 3.26Å; Q159-K161 PolarHBondContact O-N 2.91Å
162H72.2Confident63.9Low69 Ų6988.4 Ų88.432%0.31948%0.477SS..THydrogen-bonded Turntrans-85.4-28.4175.8-61.1-52.5000111.4C142 D144 C145 H158 Q159 S164C142-H162 PolarHBondContact SG-CD2 2.78Å; C142-H162 PolarHBondContact SG-NE2 3.38Å; D144-H162 HydrophobicContact CB-CB 4.08Å; D144-H162 WeakPolarHBondContact OD2-CB 3.49Å; D144-H162 IonicContact OD2-CD2 2.75Å; D144-H162 PolarHBondContact OD2-CD2 3.46Å; D144-H162 IonicContact OD2-CG 3.96Å; C145-H162 PolarHBondContact SG-NE2 3.47Å; C145-H162 VanDerWaalsContact SG-NE2 3.43Å; H158-H162 AromaticContact CD2-NE2 3.68Å; H158-H162 AromaticContact CE1-CE1 3.69Å; H158-H162 AromaticContact CE1-NE2 3.25Å; H158-H162 PolarHBondContact CE1-NE2 2.96Å; H158-H162 VanDerWaalsContact CE1-NE2 3.25Å; H158-H162 AromaticContact NE2-CD2 3.87Å; H158-H162 AromaticContact NE2-CE1 3.74Å; H158-H162 AromaticContact NE2-NE2 2.92Å; H158-H162 PolarHBondContact NE2-NE2 2.71Å; Q159-H162 PolarHBondContact O-N 3.01Å; H162-S164 PolarHBondContact O-N 3.46Å
163S65.1Low62.6Low50 Ų5092.5 Ų92.535%0.3550%0.496SS..  trans-68105.8171.8-157.60000109.4Q159 Q165Q159-S163 PolarHBondContact O-N 3.34Å; S163-Q165 PolarHBondContact O-N 3.28Å; S163-Q165 VanDerWaalsContact O-N 3.1Å; S163-Q165 PolarHBondContact OG-O 3.47Å
164S55.2Low61.8Low128 Ų12892.2 Ų92.290%0.89550%0.495SS*.SBendtrans-68.92.517747.80000113.4H162H162-S164 PolarHBondContact O-N 3.46Å
165Q49.5Very low61.6Low139 Ų13991.3 Ų91.365%0.6549%0.491SS*.SBendtrans-137.1129.1178.3-142145.719.400104.6S163 I167S163-Q165 PolarHBondContact O-N 3.28Å; S163-Q165 VanDerWaalsContact O-N 3.1Å; S163-Q165 PolarHBondContact OG-O 3.47Å; Q165-I167 HydrophobicContact CB-CD1 4.25Å; Q165-I167 HydrophobicContact CB-CG1 3.75Å; Q165-I167 HydrophobicContact CG-CG1 4.48Å; Q165-I167 WeakPolarHBondContact O-CG1 3.28Å; Q165-I167 PolarHBondContact O-N 3.38Å
166A44Very low61.4Low82 Ų8293.9 Ų93.968%0.67851%0.507SS*.  trans-6679.7170.600000107.8R168 I183A166-R168 PolarHBondContact O-N 3.21Å; A166-I183 HydrophobicContact CB-CD1 3.95Å
167I49.4Very low61.5Low92 Ų9290.9 Ų90.947%0.47249%0.494SS..  trans-81.6104.9-178.4-53.1-177.3000106.6Q165 F169Q165-I167 HydrophobicContact CB-CD1 4.25Å; Q165-I167 HydrophobicContact CB-CG1 3.75Å; Q165-I167 HydrophobicContact CG-CG1 4.48Å; Q165-I167 WeakPolarHBondContact O-CG1 3.28Å; Q165-I167 PolarHBondContact O-N 3.38Å; I167-F169 PolarHBondContact O-N 3.15Å
168R47.3Very low62.1Low230 Ų23093.8 Ų93.887%0.86851%0.513SS*.  trans-8.188.7147.2-64.7173.7172.3169.3-4113.1A166A166-R168 PolarHBondContact O-N 3.21Å
169F43.5Very low62.3Low155 Ų15597.4 Ų97.468%0.6853%0.532SS*.  trans-109.6109.1155-88.7-83.3000106.9I167 G171I167-F169 PolarHBondContact O-N 3.15Å; F169-G171 PolarHBondContact O-N 3.03Å
170A42.6Very low62.6Low120 Ų12097 Ų9799%0.99254%0.536SS*.THydrogen-bonded Turntrans-67.535.5-175.100000114.5
171G49.7Very low62.8Low73 Ų7395.9 Ų95.975%0.75354%0.541SS*.THydrogen-bonded Turntrans-143.6-11-173.900000116F169F169-G171 PolarHBondContact O-N 3.03Å
172L53.6Low63Low52 Ų5295 Ų9527%0.27254%0.537SS..SBendtrans-104.4117165.5-77.2154.8000105.9L153 Q156 D174L153-L172 HydrophobicContact CD1-CD2 3.97Å; Q156-L172 HydrophobicContact CB-CD1 4.43Å; L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 3.25Å
173Q55.5Low63Low170 Ų17095.8 Ų95.879%0.79454%0.543SS*.  trans-59.695.5178-128.5-170.2-9.700108.6F175Q173-F175 WeakPolarHBondContact O-CE2 3.42Å; Q173-F175 PolarHBondContact O-N 3.33Å
174D62Low63.5Low74 Ų7495.2 Ų95.240%0.39653%0.534SS..  trans-63123.4179.4-82.1-32.4000108.4L172 V176 I183L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 3.25Å; D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 HydrophobicContact CB-CG2 3.88Å; D174-V176 PolarHBondContact O-N 3.01Å; D174-I183 HydrophobicContact CB-CG2 4.15Å
175F73.9Confident64.2Low62 Ų6293.8 Ų93.827%0.27251%0.51SS..EExtended strand (participates in β ladder)trans-82.180.4176.5-59.8-76.2000108.2Q173 F184 P187 L190Q173-F175 WeakPolarHBondContact O-CE2 3.42Å; Q173-F175 PolarHBondContact O-N 3.33Å; F175-F184 HydrophobicContact CB-CB 4.3Å; F175-F184 WeakPolarHBondContact CB-O 3.28Å; F175-F184 WeakPolarHBondContact O-CD2 3.37Å; F175-F184 PolarHBondContact O-N 3.25Å; F175-P187 HydrophobicContact CD1-CB 3.72Å; F175-P187 HydrophobicContact CD1-CG 4.27Å; F175-P187 HydrophobicContact CD2-CB 4.45Å; F175-P187 HydrophobicContact CD2-CG 4.39Å; F175-P187 HydrophobicContact CE1-CB 3.52Å; F175-P187 HydrophobicContact CE1-CG 3.68Å; F175-P187 HydrophobicContact CE2-CB 4.3Å; F175-P187 HydrophobicContact CE2-CG 3.83Å; F175-P187 HydrophobicContact CG-CB 4.19Å; F175-P187 HydrophobicContact CZ-CB 3.83Å; F175-P187 HydrophobicContact CZ-CG 3.44Å; F175-P187 VanDerWaalsContact CZ-CG 3.44Å; F175-L190 HydrophobicContact CB-CB 3.75Å; F175-L190 HydrophobicContact CB-CD2 3.63Å; F175-L190 HydrophobicContact CB-CG 4.25Å; F175-L190 HydrophobicContact CD1-CD2 4.41Å
176V77.6Confident65.5Low67 Ų6791.7 Ų91.741%0.40650%0.496SS..EExtended strand (participates in β ladder)trans-82.8135.9179.7-171.40000110.1D174 D178 I183D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 HydrophobicContact CB-CG2 3.88Å; D174-V176 PolarHBondContact O-N 3.01Å; V176-D178 PolarHBondContact O-N 3.39Å; V176-I183 HydrophobicContact CG2-CG1 4.25Å
177C81Confident67.3Low2 Ų291.3 Ų91.31%0.01449%0.486CS..  trans-71.8118.3169-171.60000110L179 C180 G181 K182 F184 L190 H193C177-L179 PolarHBondContact O-N 3.11Å; C177-C180 PolarHBondContact O-N 3.24Å; C177-C180 VanDerWaalsContact SG-SG 3.68Å; C177-G181 VanDerWaalsContact O-CA 3.28Å; C177-G181 WeakPolarHBondContact O-CA 3.3Å; C177-G181 PolarHBondContact O-N 3.4Å; C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 PolarHBondContact N-O 3.18Å; C177-F184 HydrophobicContact CB-CE2 4.23Å; C177-L190 HydrophobicContact CB-CD1 3.84Å; C177-H193 VanDerWaalsContact SG-CD2 3.52Å; C177-H193 PolarHBondContact SG-NE2 3.4Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å
178D85.4Confident69Low106 Ų10690.6 Ų90.657%0.56749%0.489SS*.THydrogen-bonded Turntrans-58.8-24.4173.251-31.9000113.1V176 R194V176-D178 PolarHBondContact O-N 3.39Å; D178-R194 IonicContact OD1-CZ 3.32Å; D178-R194 IonicContact OD1-NE 2.84Å; D178-R194 PolarHBondContact OD1-NE 2.77Å; D178-R194 IonicContact OD1-NH2 3.67Å; D178-R194 IonicContact OD2-CZ 3.27Å; D178-R194 IonicContact OD2-NE 3.63Å; D178-R194 IonicContact OD2-NH2 2.64Å; D178-R194 PolarHBondContact OD2-NH2 3.48Å
179L82.7Confident70.8Confident96 Ų9683.8 Ų83.850%0.50347%0.466SS..THydrogen-bonded Turntrans-94.7-22.2-174.7-59.8172.7000114.3C177 H197C177-L179 PolarHBondContact O-N 3.11Å; L179-H197 HydrophobicContact CB-CB 4.49Å; L179-H197 HydrophobicContact CD1-CB 3.32Å
180C81.6Confident72.8Confident55 Ų5577.6 Ų77.637%0.37244%0.44SS..THydrogen-bonded Turntrans-144.73.6-17869.80000115.3C177 K182 H193 H197C177-C180 PolarHBondContact O-N 3.24Å; C177-C180 VanDerWaalsContact SG-SG 3.68Å; C180-K182 PolarHBondContact O-N 3.4Å; C180-K182 VanDerWaalsContact O-N 3.12Å; C180-H193 PolarHBondContact SG-NE2 3.28Å; C180-H197 PolarHBondContact SG-NE2 2.82Å
181G77.2Confident74.9Confident46 Ų4674.9 Ų74.947%0.47441%0.414SS..  trans70.61.8179.500000115.3C177 I183C177-G181 VanDerWaalsContact O-CA 3.28Å; C177-G181 WeakPolarHBondContact O-CA 3.3Å; C177-G181 PolarHBondContact O-N 3.4Å; G181-I183 PolarHBondContact O-N 2.88Å
182K74.2Confident76.7Confident126 Ų12672.6 Ų72.655%0.54839%0.388SS..  trans-64131.8178-77.1-178.6-178.7175.80111C177 C180 F184C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 PolarHBondContact N-O 3.18Å; C180-K182 PolarHBondContact O-N 3.4Å; C180-K182 VanDerWaalsContact O-N 3.12Å; K182-F184 HydrophobicContact CB-CE2 3.68Å; K182-F184 HydrophobicContact CB-CZ 3.99Å; K182-F184 WeakPolarHBondContact O-CD2 3.37Å; K182-F184 WeakPolarHBondContact O-CE2 3.41Å
183I73Confident78.3Confident86 Ų8671 Ų7144%0.44138%0.379SS..EExtended strand (participates in β ladder)trans-93.8133-178.2-53.2177.1000109.9A166 D174 V176 G181A166-I183 HydrophobicContact CB-CD1 3.95Å; D174-I183 HydrophobicContact CB-CG2 4.15Å; V176-I183 HydrophobicContact CG2-CG1 4.25Å; G181-I183 PolarHBondContact O-N 2.88Å
184F74Confident79.8Confident39 Ų3967.8 Ų67.817%0.17136%0.359CS..EExtended strand (participates in β ladder)trans-120.7139.8177.2-62.9-90.6000111.6F175 C177 K182 R186 K189 L190 H193F175-F184 HydrophobicContact CB-CB 4.3Å; F175-F184 WeakPolarHBondContact CB-O 3.28Å; F175-F184 WeakPolarHBondContact O-CD2 3.37Å; F175-F184 PolarHBondContact O-N 3.25Å; C177-F184 HydrophobicContact CB-CE2 4.23Å; K182-F184 HydrophobicContact CB-CE2 3.68Å; K182-F184 HydrophobicContact CB-CZ 3.99Å; K182-F184 WeakPolarHBondContact O-CD2 3.37Å; K182-F184 WeakPolarHBondContact O-CE2 3.41Å; F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 PolarHBondContact O-N 3.26Å; F184-K189 HydrophobicContact CB-CB 4.27Å; F184-K189 HydrophobicContact CD1-CB 3.87Å; F184-K189 HydrophobicContact CG-CB 4.41Å; F184-L190 HydrophobicContact CB-CB 4.03Å; F184-L190 HydrophobicContact CD2-CB 3.99Å; F184-L190 HydrophobicContact CD2-CD1 3.72Å; F184-L190 HydrophobicContact CD2-CG 4.48Å; F184-L190 HydrophobicContact CE2-CD1 4.08Å; F184-L190 HydrophobicContact CG-CB 4.12Å; F184-H193 HydrophobicContact CE1-CB 3.7Å; F184-H193 AromaticContact CE1-CG 3.9Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.18Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.3Å; F184-H193 AromaticContact CE2-CG 3.55Å; F184-H193 AromaticContact CE2-NE2 3.8Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.23Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.5Å; F184-H193 AromaticContact CZ-CE1 3.98Å; F184-H193 AromaticContact CZ-CG 3.07Å; F184-H193 AromaticContact CZ-ND1 3.59Å; F184-H193 AromaticContact CZ-NE2 3.77Å
185Y70.9Confident81.1Confident98 Ų9864.9 Ų64.938%0.38434%0.344SS..SBendtrans-83.32.3179.962.9-87.1000114
186R75.7Confident81.7Confident95 Ų9566.9 Ų66.936%0.35836%0.357SS..SBendtrans-148.6139.3177.7-72.4-179.1-173.7164.52.7110.4F184 S188 K189 L190F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 PolarHBondContact O-N 3.26Å; R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 2.94Å; R186-K189 HydrophobicContact CB-CB 4.26Å; R186-K189 HydrophobicContact CB-CG 3.99Å; R186-K189 WeakPolarHBondContact O-CB 3.32Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-L190 PolarHBondContact O-N 3.11Å; R186-L190 VanDerWaalsContact O-N 3.13Å
187P83.5Confident82Confident74 Ų7467.8 Ų67.848%0.48136%0.356SS..Hα-helixtrans-62.4-36.6177.87.6-7.8000112.1F175 K189 L190 S191F175-P187 HydrophobicContact CD1-CB 3.72Å; F175-P187 HydrophobicContact CD1-CG 4.27Å; F175-P187 HydrophobicContact CD2-CB 4.45Å; F175-P187 HydrophobicContact CD2-CG 4.39Å; F175-P187 HydrophobicContact CE1-CB 3.52Å; F175-P187 HydrophobicContact CE1-CG 3.68Å; F175-P187 HydrophobicContact CE2-CB 4.3Å; F175-P187 HydrophobicContact CE2-CG 3.83Å; F175-P187 HydrophobicContact CG-CB 4.19Å; F175-P187 HydrophobicContact CZ-CB 3.83Å; F175-P187 HydrophobicContact CZ-CG 3.44Å; F175-P187 VanDerWaalsContact CZ-CG 3.44Å; P187-K189 PolarHBondContact O-N 3.41Å; P187-L190 PolarHBondContact O-N 3.41Å; P187-S191 WeakPolarHBondContact O-CB 3.38Å; P187-S191 PolarHBondContact O-N 3.26Å
188S84.5Confident82.3Confident76 Ų7671.2 Ų71.253%0.53138%0.377SS..Hα-helixtrans-62.8-27.2176.269.30000113.2R186 A192R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 2.94Å; S188-A192 WeakPolarHBondContact O-CB 3.24Å; S188-A192 PolarHBondContact O-N 3.09Å
189K83.7Confident82.3Confident88 Ų8868.4 Ų68.438%0.38337%0.374SS..Hα-helixtrans-81-40.8177.7-68.9-64.7-173.9179.20110.8F184 R186 P187 H193F184-K189 HydrophobicContact CB-CB 4.27Å; F184-K189 HydrophobicContact CD1-CB 3.87Å; F184-K189 HydrophobicContact CG-CB 4.41Å; R186-K189 HydrophobicContact CB-CB 4.26Å; R186-K189 HydrophobicContact CB-CG 3.99Å; R186-K189 WeakPolarHBondContact O-CB 3.32Å; R186-K189 PolarHBondContact O-N 3.22Å; P187-K189 PolarHBondContact O-N 3.41Å; K189-H193 VanDerWaalsContact O-CB 3.26Å; K189-H193 WeakPolarHBondContact O-CB 3.22Å; K189-H193 PolarHBondContact O-N 3.38Å
190L86Confident82.4Confident25 Ų2569.3 Ų69.313%0.13138%0.375CS..Hα-helixtrans-58.1-50.8169.3172.662.5000110.9F175 C177 F184 R186 P187 A192 H193 R194F175-L190 HydrophobicContact CB-CB 3.75Å; F175-L190 HydrophobicContact CB-CD2 3.63Å; F175-L190 HydrophobicContact CB-CG 4.25Å; F175-L190 HydrophobicContact CD1-CD2 4.41Å; C177-L190 HydrophobicContact CB-CD1 3.84Å; F184-L190 HydrophobicContact CB-CB 4.03Å; F184-L190 HydrophobicContact CD2-CB 3.99Å; F184-L190 HydrophobicContact CD2-CD1 3.72Å; F184-L190 HydrophobicContact CD2-CG 4.48Å; F184-L190 HydrophobicContact CE2-CD1 4.08Å; F184-L190 HydrophobicContact CG-CB 4.12Å; R186-L190 PolarHBondContact O-N 3.11Å; R186-L190 VanDerWaalsContact O-N 3.13Å; P187-L190 PolarHBondContact O-N 3.41Å; L190-A192 PolarHBondContact O-N 3.18Å; L190-H193 CarbonylContact O-C 3.49Å; L190-H193 WeakPolarHBondContact O-CA 3.39Å; L190-H193 WeakPolarHBondContact O-CB 3.02Å; L190-H193 PolarHBondContact O-N 2.98Å; L190-R194 HydrophobicContact CD1-CG 3.94Å; L190-R194 HydrophobicContact CG-CG 4.3Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.28Å
191S87.4Confident82.7Confident62 Ų6272.2 Ų72.243%0.43438%0.382SS..Hα-helixtrans-58.4-48.6179.9169.10000112.2P187 H193 R194 N195P187-S191 WeakPolarHBondContact O-CB 3.38Å; P187-S191 PolarHBondContact O-N 3.26Å; S191-H193 PolarHBondContact O-N 3.21Å; S191-R194 PolarHBondContact O-N 3.48Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.03Å; S191-N195 VanDerWaalsContact O-N 3.14Å; S191-N195 PolarHBondContact O-OD1 2.74Å
192A87Confident83.2Confident25 Ų2573.8 Ų73.821%0.20738%0.384CS..Hα-helixtrans-63.3-28.7176.200000113S188 L190S188-A192 WeakPolarHBondContact O-CB 3.24Å; S188-A192 PolarHBondContact O-N 3.09Å; L190-A192 PolarHBondContact O-N 3.18Å
193H87.7Confident83.8Confident19 Ų1971.4 Ų71.49%0.08837%0.372CS..Hα-helixtrans-75.8-41.4174168.172.3000112.5C177 C180 F184 K189 L190 S191 N195 L196 H197C177-H193 VanDerWaalsContact SG-CD2 3.52Å; C177-H193 PolarHBondContact SG-NE2 3.4Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å; C180-H193 PolarHBondContact SG-NE2 3.28Å; F184-H193 HydrophobicContact CE1-CB 3.7Å; F184-H193 AromaticContact CE1-CG 3.9Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.18Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.3Å; F184-H193 AromaticContact CE2-CG 3.55Å; F184-H193 AromaticContact CE2-NE2 3.8Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.23Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.5Å; F184-H193 AromaticContact CZ-CE1 3.98Å; F184-H193 AromaticContact CZ-CG 3.07Å; F184-H193 AromaticContact CZ-ND1 3.59Å; F184-H193 AromaticContact CZ-NE2 3.77Å; K189-H193 VanDerWaalsContact O-CB 3.26Å; K189-H193 WeakPolarHBondContact O-CB 3.22Å; K189-H193 PolarHBondContact O-N 3.38Å; L190-H193 CarbonylContact O-C 3.49Å; L190-H193 WeakPolarHBondContact O-CA 3.39Å; L190-H193 WeakPolarHBondContact O-CB 3.02Å; L190-H193 PolarHBondContact O-N 2.98Å; S191-H193 PolarHBondContact O-N 3.21Å; H193-N195 PolarHBondContact O-N 3.39Å; H193-L196 WeakPolarHBondContact O-CB 3.29Å; H193-L196 PolarHBondContact O-N 2.73Å; H193-H197 AromaticContact CE1-CD2 3.94Å; H193-H197 AromaticContact CE1-NE2 3.45Å; H193-H197 PolarHBondContact CE1-NE2 2.97Å; H193-H197 AromaticContact NE2-CD2 3.68Å; H193-H197 AromaticContact NE2-NE2 3.26Å; H193-H197 PolarHBondContact NE2-NE2 2.99Å
194R87.6Confident84.5Confident102 Ų10269.7 Ų69.739%0.38537%0.37SS..Hα-helixtrans-57.6-36.8174.8-71.6-178.483.7-133.25111.3D178 L190 S191 L196 H197 T198D178-R194 IonicContact OD1-CZ 3.32Å; D178-R194 IonicContact OD1-NE 2.84Å; D178-R194 PolarHBondContact OD1-NE 2.77Å; D178-R194 IonicContact OD1-NH2 3.67Å; D178-R194 IonicContact OD2-CZ 3.27Å; D178-R194 IonicContact OD2-NE 3.63Å; D178-R194 IonicContact OD2-NH2 2.64Å; D178-R194 PolarHBondContact OD2-NH2 3.48Å; L190-R194 HydrophobicContact CD1-CG 3.94Å; L190-R194 HydrophobicContact CG-CG 4.3Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.28Å; S191-R194 PolarHBondContact O-N 3.48Å; R194-L196 PolarHBondContact O-N 3.34Å; R194-L196 VanDerWaalsContact O-N 3.15Å; R194-H197 WeakPolarHBondContact O-CB 3.46Å; R194-H197 PolarHBondContact O-N 3.33Å; R194-T198 PolarHBondContact O-N 3.48Å; R194-T198 VanDerWaalsContact O-N 3.07Å; R194-T198 PolarHBondContact O-OG1 2.91Å
195N89Confident84.9Confident13 Ų1368.3 Ų68.37%0.0737%0.365CS..Hα-helixtrans-58.8-24.6173.6-66.5-6000114S191 H193 T198 G199 E200 M213S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.03Å; S191-N195 VanDerWaalsContact O-N 3.14Å; S191-N195 PolarHBondContact O-OD1 2.74Å; H193-N195 PolarHBondContact O-N 3.39Å; N195-T198 WeakPolarHBondContact CA-OG1 3.37Å; N195-G199 CarbonylContact O-C 3.25Å; N195-G199 WeakPolarHBondContact O-CA 3.21Å; N195-G199 PolarHBondContact O-N 2.79Å; N195-E200 WeakPolarHBondContact CB-O 3.36Å; N195-E200 PolarHBondContact O-N 3.12Å; N195-M213 HydrophobicContact CB-CB 4.02Å; N195-M213 HydrophobicContact CB-CG 4.42Å; N195-M213 PolarHBondContact ND2-O 3.29Å
196L86.2Confident85.5Confident104 Ų10473.2 Ų73.255%0.54539%0.389SS..Hα-helixtrans-71.4-34.4173.4-65.4162.8000111.8H193 R194 M213H193-L196 WeakPolarHBondContact O-CB 3.29Å; H193-L196 PolarHBondContact O-N 2.73Å; R194-L196 PolarHBondContact O-N 3.34Å; R194-L196 VanDerWaalsContact O-N 3.15Å; L196-M213 HydrophobicContact CD2-CE 3.33Å; L196-M213 HydrophobicContact CD2-SD 3.49Å; L196-M213 WeakPolarHBondContact CD2-SD 3.47Å; L196-M213 HydrophobicContact CG-CE 4.49Å; L196-M213 HydrophobicContact CG-SD 4.18Å
197H84.5Confident85.6Confident86 Ų8674 Ų7440%0.39840%0.4SS..Hα-helixtrans-76.5-42.9178-72.8-74.5000112L179 C180 H193 R194 G199L179-H197 HydrophobicContact CB-CB 4.49Å; L179-H197 HydrophobicContact CD1-CB 3.32Å; C180-H197 PolarHBondContact SG-NE2 2.82Å; H193-H197 AromaticContact CE1-CD2 3.94Å; H193-H197 AromaticContact CE1-NE2 3.45Å; H193-H197 PolarHBondContact CE1-NE2 2.97Å; H193-H197 AromaticContact NE2-CD2 3.68Å; H193-H197 AromaticContact NE2-NE2 3.26Å; H193-H197 PolarHBondContact NE2-NE2 2.99Å; R194-H197 WeakPolarHBondContact O-CB 3.46Å; R194-H197 PolarHBondContact O-N 3.33Å; H197-G199 VanDerWaalsContact C-N 3.34Å
198T86.5Confident85.5Confident74 Ų7472.7 Ų72.745%0.45439%0.392SS..Hα-helixtrans-80.7-17.2-178.560.60000113R194 N195 E200R194-T198 PolarHBondContact O-N 3.48Å; R194-T198 VanDerWaalsContact O-N 3.07Å; R194-T198 PolarHBondContact O-OG1 2.91Å; N195-T198 WeakPolarHBondContact CA-OG1 3.37Å; T198-E200 PolarHBondContact O-N 2.91Å; T198-E200 WeakPolarHBondContact OG1-CB 3.39Å; T198-E200 WeakPolarHBondContact OG1-CG 3.36Å; T198-E200 PolarHBondContact OG1-N 3.4Å
199G84.3Confident85.4Confident48 Ų4875 Ų7550%0.49541%0.408SS..  trans73.76.8-171.800000113.9N195 H197 K201N195-G199 CarbonylContact O-C 3.25Å; N195-G199 WeakPolarHBondContact O-CA 3.21Å; N195-G199 PolarHBondContact O-N 2.79Å; H197-G199 VanDerWaalsContact C-N 3.34Å; G199-K201 PolarHBondContact O-N 3.2Å
200E86.2Confident85.2Confident115 Ų11576 Ų7654%0.53742%0.415SS..  trans-65129.3-178.9-76.1-174.717600112.1N195 T198 P202 M213N195-E200 WeakPolarHBondContact CB-O 3.36Å; N195-E200 PolarHBondContact O-N 3.12Å; T198-E200 PolarHBondContact O-N 2.91Å; T198-E200 WeakPolarHBondContact OG1-CB 3.39Å; T198-E200 WeakPolarHBondContact OG1-CG 3.36Å; T198-E200 PolarHBondContact OG1-N 3.4Å; E200-P202 VanDerWaalsContact C-CD 3.44Å; E200-P202 VanDerWaalsContact O-CD 3.3Å; E200-P202 WeakPolarHBondContact O-CD 3.18Å; E200-M213 WeakPolarHBondContact O-CG 3.26Å
201K87.1Confident85.2Confident115 Ų11580.8 Ų80.850%0.544%0.435SS..  trans-120.772.8177.1-64175.9179.8178.70110.5G199 Y203 K211 F212 M213G199-K201 PolarHBondContact O-N 3.2Å; K201-Y203 PolarHBondContact O-N 3.04Å; K201-K211 HydrophobicContact CB-CB 3.46Å; K201-K211 VanDerWaalsContact CB-CB 3.46Å; K201-K211 HydrophobicContact CD-CB 4.07Å; K201-K211 HydrophobicContact CG-CB 4.37Å; K201-F212 CarbonylContact C-O 3.57Å; K201-F212 WeakPolarHBondContact CA-O 3.29Å; K201-M213 HydrophobicContact CG-CG 3.84Å
202P88Confident85Confident80 Ų8079.5 Ų79.552%0.51942%0.422SS..  trans-67.9-19.6-171.524.5-32.8000113.8E200 A204E200-P202 VanDerWaalsContact C-CD 3.44Å; E200-P202 VanDerWaalsContact O-CD 3.3Å; E200-P202 WeakPolarHBondContact O-CD 3.18Å; P202-A204 PolarHBondContact O-N 3.29Å
203Y87.9Confident84.9Confident75 Ų7581.3 Ų81.329%0.29443%0.427SS..EExtended strand (participates in β ladder)trans-96.692-177.4-56.4-82000110.8K201 K211 F212 R215 W218K201-Y203 PolarHBondContact O-N 3.04Å; Y203-K211 CarbonylContact O-C 3.56Å; Y203-K211 WeakPolarHBondContact O-CA 3.36Å; Y203-F212 WeakPolarHBondContact CD2-O 3.39Å; Y203-F212 PolarHBondContact N-O 3.45Å; Y203-F212 VanDerWaalsContact N-O 3.16Å; Y203-F212 WeakPolarHBondContact O-CD2 3.45Å; Y203-F212 PolarHBondContact O-N 2.95Å; Y203-R215 HydrophobicContact CD1-CB 4.26Å; Y203-R215 HydrophobicContact CE1-CB 3.65Å; Y203-R215 HydrophobicContact CE1-CG 4.02Å; Y203-R215 HydrophobicContact CE2-CB 4.29Å; Y203-R215 VanDerWaalsContact CE2-N 3.27Å; Y203-W218 HydrophobicContact CG-CB 4.27Å
204A86.7Confident84.8Confident50 Ų5081.5 Ų81.541%0.41343%0.43SS..EExtended strand (participates in β ladder)trans-83.3141.6174.700000111.8P202 K211 W218P202-A204 PolarHBondContact O-N 3.29Å; A204-K211 HydrophobicContact CB-CG 4.11Å; A204-W218 PolarHBondContact O-NE1 2.99Å; A204-W218 VanDerWaalsContact O-NE1 3.09Å
205C81.6Confident84.8Confident10 Ų1083.3 Ų83.37%0.06844%0.437CS..  trans-73.9137.3164.5-174.10000109.9L207 C208 M210 H221 H225C205-L207 VanDerWaalsContact C-N 3.3Å; C205-L207 PolarHBondContact SG-N 3.21Å; C205-C208 WeakPolarHBondContact CB-O 3.36Å; C205-C208 VanDerWaalsContact CB-SG 3.57Å; C205-C208 VanDerWaalsContact SG-SG 3.64Å; C205-M210 WeakPolarHBondContact CB-O 3.41Å; C205-M210 PolarHBondContact N-O 2.84Å; C205-H221 VanDerWaalsContact CB-NE2 3.26Å; C205-H221 WeakPolarHBondContact CB-NE2 3.32Å; C205-H221 PolarHBondContact SG-NE2 3.28Å; C205-H225 PolarHBondContact SG-CD2 3.36Å; C205-H225 PolarHBondContact SG-NE2 2.8Å
206K84.4Confident84.7Confident202 Ų20286.2 Ų86.288%0.87846%0.458SS*.SBendtrans-82.3-11.6173.8-65.4-171.9177.3-173.40113.1
207L78.9Confident84.5Confident112 Ų11284 Ų8459%0.58645%0.451SS*.SBendtrans-112.3-6-172.8-59.9173.1000112.7C205 M222 H225C205-L207 VanDerWaalsContact C-N 3.3Å; C205-L207 PolarHBondContact SG-N 3.21Å; L207-M222 HydrophobicContact CD1-CE 4.2Å; L207-H225 WeakPolarHBondContact CB-CE1 3.34Å; L207-H225 WeakPolarHBondContact CB-ND1 3.4Å; L207-H225 HydrophobicContact CD1-CB 3.38Å; L207-H225 VanDerWaalsContact CD1-CG 3.42Å
208C79.4Confident84.8Confident46 Ų4682.9 Ų82.931%0.31144%0.444SS..SBendtrans-158.3170.2172.170.90000110.8C205 M210 H221C205-C208 WeakPolarHBondContact CB-O 3.36Å; C205-C208 VanDerWaalsContact CB-SG 3.57Å; C205-C208 VanDerWaalsContact SG-SG 3.64Å; C208-M210 PolarHBondContact O-N 3.27Å; C208-M210 VanDerWaalsContact O-N 3.14Å; C208-H221 PolarHBondContact SG-CE1 3.43Å; C208-H221 PolarHBondContact SG-NE2 3.47Å; C208-H221 VanDerWaalsContact SG-NE2 3.36Å
209S82.9Confident84.7Confident125 Ų12584.8 Ų84.887%0.87445%0.445SS*.SBendtrans-75.75.1-177.6-47.20000114.9
210M80Confident84.5Confident107 Ų10788.4 Ų88.453%0.52745%0.452SS..  trans-74.8135-178.4-63.7-148.584.300112C205 C208 F212C205-M210 WeakPolarHBondContact CB-O 3.41Å; C205-M210 PolarHBondContact N-O 2.84Å; C208-M210 PolarHBondContact O-N 3.27Å; C208-M210 VanDerWaalsContact O-N 3.14Å; M210-F212 HydrophobicContact CB-CE2 3.85Å; M210-F212 HydrophobicContact CB-CZ 3.83Å; M210-F212 HydrophobicContact SD-CZ 4.33Å
211K86.3Confident84.3Confident127 Ų12784 Ų8455%0.55243%0.432SS*.EExtended strand (participates in β ladder)trans-121.2146173.8-54.4-175.5179.9179.30110.5K201 Y203 A204K201-K211 HydrophobicContact CB-CB 3.46Å; K201-K211 VanDerWaalsContact CB-CB 3.46Å; K201-K211 HydrophobicContact CD-CB 4.07Å; K201-K211 HydrophobicContact CG-CB 4.37Å; Y203-K211 CarbonylContact O-C 3.56Å; Y203-K211 WeakPolarHBondContact O-CA 3.36Å; A204-K211 HydrophobicContact CB-CG 4.11Å
212F83.2Confident84Confident35 Ų3580.9 Ų80.915%0.15442%0.42CS..EExtended strand (participates in β ladder)trans-125.9147.5-174.5-56-90.5000111.8K201 Y203 M210 W218 H221K201-F212 CarbonylContact C-O 3.57Å; K201-F212 WeakPolarHBondContact CA-O 3.29Å; Y203-F212 WeakPolarHBondContact CD2-O 3.39Å; Y203-F212 PolarHBondContact N-O 3.45Å; Y203-F212 VanDerWaalsContact N-O 3.16Å; Y203-F212 WeakPolarHBondContact O-CD2 3.45Å; Y203-F212 PolarHBondContact O-N 2.95Å; M210-F212 HydrophobicContact CB-CE2 3.85Å; M210-F212 HydrophobicContact CB-CZ 3.83Å; M210-F212 HydrophobicContact SD-CZ 4.33Å; F212-W218 HydrophobicContact CB-CB 4.12Å; F212-W218 HydrophobicContact CD2-CB 3.98Å; F212-W218 AromaticContact CD2-CD1 3.97Å; F212-W218 HydrophobicContact CD2-CG 4.4Å; F212-W218 HydrophobicContact CG-CB 4.17Å; F212-H221 HydrophobicContact CE1-CB 3.87Å; F212-H221 HydrophobicContact CE2-CB 3.77Å; F212-H221 AromaticContact CE2-CD2 3.38Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.46Å; F212-H221 AromaticContact CE2-CG 3.46Å; F212-H221 VanDerWaalsContact CE2-CG 3.46Å; F212-H221 AromaticContact CE2-NE2 3.94Å; F212-H221 HydrophobicContact CZ-CB 3.35Å; F212-H221 AromaticContact CZ-CD2 3.62Å; F212-H221 AromaticContact CZ-CG 3.18Å; F212-H221 AromaticContact CZ-ND1 3.5Å
213M84.2Confident83.5Confident63 Ų6384.5 Ų84.531%0.3143%0.427SS..SBendtrans-80.7-17.1178.8-61.8177-72.800113N195 L196 E200 K201N195-M213 HydrophobicContact CB-CB 4.02Å; N195-M213 HydrophobicContact CB-CG 4.42Å; N195-M213 PolarHBondContact ND2-O 3.29Å; L196-M213 HydrophobicContact CD2-CE 3.33Å; L196-M213 HydrophobicContact CD2-SD 3.49Å; L196-M213 WeakPolarHBondContact CD2-SD 3.47Å; L196-M213 HydrophobicContact CG-CE 4.49Å; L196-M213 HydrophobicContact CG-SD 4.18Å; E200-M213 WeakPolarHBondContact O-CG 3.26Å; K201-M213 HydrophobicContact CG-CG 3.84Å
214S85.8Confident82.5Confident23 Ų2388.4 Ų88.416%0.16144%0.441CS..SBendtrans-136.1146.8-178.992.60000113S216 S217 W218S214-S216 VanDerWaalsContact C-N 3.26Å; S214-S216 PolarHBondContact O-N 3.35Å; S214-S217 PolarHBondContact O-N 2.92Å; S214-S217 PolarHBondContact OG-N 3.27Å; S214-S217 PolarHBondContact OG-OG 3.03Å; S214-W218 PolarHBondContact O-N 3.32Å; S214-W218 VanDerWaalsContact O-N 3.13Å
215R88.7Confident81.9Confident139 Ų13987.9 Ų87.953%0.52543%0.43SS..Hα-helixtrans-59.6-36.4176.3-170.4176.7178.393.5-3112.3Y203 W218 K219Y203-R215 HydrophobicContact CD1-CB 4.26Å; Y203-R215 HydrophobicContact CE1-CB 3.65Å; Y203-R215 HydrophobicContact CE1-CG 4.02Å; Y203-R215 HydrophobicContact CE2-CB 4.29Å; Y203-R215 VanDerWaalsContact CE2-N 3.27Å; R215-W218 PolarHBondContact O-N 2.87Å; R215-K219 WeakPolarHBondContact O-CG 3.49Å; R215-K219 PolarHBondContact O-N 3.4Å
216S86.4Confident81.2Confident74 Ų7494.2 Ų94.252%0.51746%0.464SS..Hα-helixtrans-63.8-46.5178.8-61.60000111.6S214 K219 I220S214-S216 VanDerWaalsContact C-N 3.26Å; S214-S216 PolarHBondContact O-N 3.35Å; S216-K219 PolarHBondContact O-N 2.89Å; S216-I220 WeakPolarHBondContact O-CG1 3.05Å; S216-I220 PolarHBondContact O-N 3.05Å; S216-I220 VanDerWaalsContact O-N 3.11Å
217S82.3Confident80Confident57 Ų5787.2 Ų87.240%0.39944%0.44SS..Hα-helixtrans-61.8-44.5177.2-51.70000111.2S214 I220 H221S214-S217 PolarHBondContact O-N 2.92Å; S214-S217 PolarHBondContact OG-N 3.27Å; S214-S217 PolarHBondContact OG-OG 3.03Å; S217-I220 PolarHBondContact O-N 3.44Å; S217-H221 PolarHBondContact O-N 3.29Å
218W89.5Confident79Confident64 Ų6486.2 Ų86.224%0.24244%0.44CS..Hα-helixtrans-61.3-44.5175.6172.683.1000112.7Y203 A204 F212 S214 R215 I220 H221 M222Y203-W218 HydrophobicContact CG-CB 4.27Å; A204-W218 PolarHBondContact O-NE1 2.99Å; A204-W218 VanDerWaalsContact O-NE1 3.09Å; F212-W218 HydrophobicContact CB-CB 4.12Å; F212-W218 HydrophobicContact CD2-CB 3.98Å; F212-W218 AromaticContact CD2-CD1 3.97Å; F212-W218 HydrophobicContact CD2-CG 4.4Å; F212-W218 HydrophobicContact CG-CB 4.17Å; S214-W218 PolarHBondContact O-N 3.32Å; S214-W218 VanDerWaalsContact O-N 3.13Å; R215-W218 PolarHBondContact O-N 2.87Å; W218-I220 VanDerWaalsContact C-N 3.34Å; W218-I220 PolarHBondContact O-N 3.16Å; W218-H221 CarbonylContact O-C 3.56Å; W218-H221 WeakPolarHBondContact O-CB 3.4Å; W218-H221 PolarHBondContact O-N 3.1Å; W218-H221 VanDerWaalsContact O-N 3.15Å; W218-M222 HydrophobicContact CD2-CG 3.97Å; W218-M222 HydrophobicContact CG-CG 4.42Å; W218-M222 HydrophobicContact CH2-CG 4.28Å; W218-M222 HydrophobicContact CZ2-CG 3.71Å; W218-M222 HydrophobicContact CZ2-SD 4.19Å; W218-M222 WeakPolarHBondContact O-CG 3.28Å; W218-M222 PolarHBondContact O-N 3.37Å
219K85.9Confident78.1Confident113 Ų11390.2 Ų90.249%0.49145%0.452SS..Hα-helixtrans-60-42.3176.5-81.8-170.3174.8-169.80112.6R215 S216 H221 M222 K223R215-K219 WeakPolarHBondContact O-CG 3.49Å; R215-K219 PolarHBondContact O-N 3.4Å; S216-K219 PolarHBondContact O-N 2.89Å; K219-H221 VanDerWaalsContact C-N 3.3Å; K219-M222 PolarHBondContact O-N 3.31Å; K219-K223 PolarHBondContact O-N 3.41Å
220I79.5Confident77.3Confident124 Ų12493.5 Ų93.564%0.63645%0.445SS*.Hα-helixtrans-62.5-42.5176.5-67.8167.2000109.9S216 S217 W218 K223S216-I220 WeakPolarHBondContact O-CG1 3.05Å; S216-I220 PolarHBondContact O-N 3.05Å; S216-I220 VanDerWaalsContact O-N 3.11Å; S217-I220 PolarHBondContact O-N 3.44Å; W218-I220 VanDerWaalsContact C-N 3.34Å; W218-I220 PolarHBondContact O-N 3.16Å; I220-K223 WeakPolarHBondContact O-CB 3.38Å; I220-K223 PolarHBondContact O-N 3.38Å
221H82.1Confident76.9Confident24 Ų2491.2 Ų91.211%0.11143%0.433CS..Hα-helixtrans-63.7-42.2174.9167.478.8000113.1C205 C208 F212 S217 W218 K219 K223 W224 H225C205-H221 VanDerWaalsContact CB-NE2 3.26Å; C205-H221 WeakPolarHBondContact CB-NE2 3.32Å; C205-H221 PolarHBondContact SG-NE2 3.28Å; C208-H221 PolarHBondContact SG-CE1 3.43Å; C208-H221 PolarHBondContact SG-NE2 3.47Å; C208-H221 VanDerWaalsContact SG-NE2 3.36Å; F212-H221 HydrophobicContact CE1-CB 3.87Å; F212-H221 HydrophobicContact CE2-CB 3.77Å; F212-H221 AromaticContact CE2-CD2 3.38Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.46Å; F212-H221 AromaticContact CE2-CG 3.46Å; F212-H221 VanDerWaalsContact CE2-CG 3.46Å; F212-H221 AromaticContact CE2-NE2 3.94Å; F212-H221 HydrophobicContact CZ-CB 3.35Å; F212-H221 AromaticContact CZ-CD2 3.62Å; F212-H221 AromaticContact CZ-CG 3.18Å; F212-H221 AromaticContact CZ-ND1 3.5Å; S217-H221 PolarHBondContact O-N 3.29Å; W218-H221 CarbonylContact O-C 3.56Å; W218-H221 WeakPolarHBondContact O-CB 3.4Å; W218-H221 PolarHBondContact O-N 3.1Å; W218-H221 VanDerWaalsContact O-N 3.15Å; K219-H221 VanDerWaalsContact C-N 3.3Å; H221-K223 PolarHBondContact O-N 3.33Å; H221-W224 WeakPolarHBondContact O-CA 3.33Å; H221-W224 WeakPolarHBondContact O-CB 3.09Å; H221-W224 PolarHBondContact O-N 3.03Å; H221-H225 AromaticContact CE1-CD2 3.94Å; H221-H225 AromaticContact CE1-NE2 3.45Å; H221-H225 PolarHBondContact CE1-NE2 3.44Å; H221-H225 AromaticContact NE2-CD2 3.52Å; H221-H225 AromaticContact NE2-NE2 3.19Å; H221-H225 PolarHBondContact NE2-NE2 3.3Å; H221-H225 VanDerWaalsContact NE2-NE2 3.19Å
222M80.7Confident76.2Confident49 Ų4988.5 Ų88.524%0.24143%0.427CS..Hα-helixtrans-61.6-31.7179.4-71.1-57.1-62.900112.8L207 W218 K219 W224 H225 D226L207-M222 HydrophobicContact CD1-CE 4.2Å; W218-M222 HydrophobicContact CD2-CG 3.97Å; W218-M222 HydrophobicContact CG-CG 4.42Å; W218-M222 HydrophobicContact CH2-CG 4.28Å; W218-M222 HydrophobicContact CZ2-CG 3.71Å; W218-M222 HydrophobicContact CZ2-SD 4.19Å; W218-M222 WeakPolarHBondContact O-CG 3.28Å; W218-M222 PolarHBondContact O-N 3.37Å; K219-M222 PolarHBondContact O-N 3.31Å; M222-W224 PolarHBondContact O-N 3.45Å; M222-H225 WeakPolarHBondContact O-CB 3.3Å; M222-H225 PolarHBondContact O-N 3.13Å; M222-D226 PolarHBondContact O-N 3.43Å
223K77Confident75.8Confident156 Ų15687.1 Ų87.168%0.67842%0.421SS*.Hα-helixtrans-60.6-28.5171.5-67.5-177.3176.8-168.20112.7K219 I220 H221 H225 S227K219-K223 PolarHBondContact O-N 3.41Å; I220-K223 WeakPolarHBondContact O-CB 3.38Å; I220-K223 PolarHBondContact O-N 3.38Å; H221-K223 PolarHBondContact O-N 3.33Å; K223-H225 VanDerWaalsContact C-N 3.26Å; K223-H225 PolarHBondContact O-N 2.76Å; K223-S227 PolarHBondContact O-N 2.99Å; K223-S227 PolarHBondContact O-OG 3.26Å
224W67.7Low75.4Confident156 Ų15693 Ų9359%0.59145%0.448SS*.Hα-helixtrans-66.9-29.1173.6-171.283.2000111.6H221 M222 K241H221-W224 WeakPolarHBondContact O-CA 3.33Å; H221-W224 WeakPolarHBondContact O-CB 3.09Å; H221-W224 PolarHBondContact O-N 3.03Å; M222-W224 PolarHBondContact O-N 3.45Å; W224-K241 PolarHBondContact O-NZ 3.33Å
225H72.6Confident74.7Confident39 Ų3997 Ų9718%0.18147%0.471CS..Hα-helixtrans-78.4-38.6175.5-76.9-71.1000113.4C205 L207 H221 M222 K223 S227 K241C205-H225 PolarHBondContact SG-CD2 3.36Å; C205-H225 PolarHBondContact SG-NE2 2.8Å; L207-H225 WeakPolarHBondContact CB-CE1 3.34Å; L207-H225 WeakPolarHBondContact CB-ND1 3.4Å; L207-H225 HydrophobicContact CD1-CB 3.38Å; L207-H225 VanDerWaalsContact CD1-CG 3.42Å; H221-H225 AromaticContact CE1-CD2 3.94Å; H221-H225 AromaticContact CE1-NE2 3.45Å; H221-H225 PolarHBondContact CE1-NE2 3.44Å; H221-H225 AromaticContact NE2-CD2 3.52Å; H221-H225 AromaticContact NE2-NE2 3.19Å; H221-H225 PolarHBondContact NE2-NE2 3.3Å; H221-H225 VanDerWaalsContact NE2-NE2 3.19Å; M222-H225 WeakPolarHBondContact O-CB 3.3Å; M222-H225 PolarHBondContact O-N 3.13Å; K223-H225 VanDerWaalsContact C-N 3.26Å; K223-H225 PolarHBondContact O-N 2.76Å; H225-S227 PolarHBondContact O-N 3.02Å; H225-K241 PolarHBondContact O-NZ 3.38Å
226D67.9Low73.8Confident144 Ų14493.8 Ų93.877%0.7747%0.47SS*.Hα-helixtrans-73.7-13.5-177.8-156.731.1000113.6M222 P228M222-D226 PolarHBondContact O-N 3.43Å; D226-P228 WeakPolarHBondContact O-CD 3.39Å
227S59Low73Confident54 Ų5492.6 Ų92.638%0.37847%0.47SS..SBendtrans-62.4122.4177-65.10000110.8K223 H225 K229 K241K223-S227 PolarHBondContact O-N 2.99Å; K223-S227 PolarHBondContact O-OG 3.26Å; H225-S227 PolarHBondContact O-N 3.02Å; S227-K229 PolarHBondContact O-N 2.74Å; S227-K241 WeakPolarHBondContact O-CE 3.19Å; S227-K241 PolarHBondContact O-NZ 2.99Å
228P57.7Low72.5Confident91 Ų9191.4 Ų91.459%0.59146%0.463SS*.  trans-59.7128.7-179.321.8-31.6000110.1D226 R230D226-P228 WeakPolarHBondContact O-CD 3.39Å; P228-R230 PolarHBondContact O-N 2.93Å
229K60.4Low71.6Confident130 Ų13090 Ų9057%0.56547%0.465SS*.  trans-71.3113.1172.4-64-176.6-179.7-175.70107.4S227 A239 K241S227-K229 PolarHBondContact O-N 2.74Å; K229-A239 HydrophobicContact CB-CB 4.23Å; K229-A239 HydrophobicContact CD-CB 3.59Å; K229-K241 HydrophobicContact CB-CG 4.42Å; K229-K241 HydrophobicContact CG-CD 4.49Å; K229-K241 HydrophobicContact CG-CG 3.8Å
230R67.3Low70.9Confident194 Ų19486.8 Ų86.873%0.73245%0.451SS*.  trans-93.7-17.2-173-66.4-175.6-178.8-171.3-1113.8P228 F240P228-R230 PolarHBondContact O-N 2.93Å; R230-F240 PolarHBondContact N-O 2.8Å; R230-F240 VanDerWaalsContact N-O 3.17Å
231F70.2Confident70.3Confident60 Ų6082.9 Ų82.926%0.26343%0.43SS..EExtended strand (participates in β ladder)trans-129.4114.2-170.1-56.5-81.9000111.1A239 F240 K243 F246F231-A239 CarbonylContact O-C 3.44Å; F231-A239 WeakPolarHBondContact O-CA 3.21Å; F231-F240 HydrophobicContact CB-CB 4.49Å; F231-F240 PolarHBondContact N-O 2.83Å; F231-F240 PolarHBondContact O-N 3.01Å; F231-K243 HydrophobicContact CD1-CB 4.23Å; F231-K243 HydrophobicContact CD1-CG 4.01Å; F231-K243 HydrophobicContact CD2-CB 4.13Å; F231-K243 VanDerWaalsContact CD2-N 3.35Å; F231-K243 HydrophobicContact CE1-CB 3.77Å; F231-K243 HydrophobicContact CE1-CD 4.05Å; F231-K243 HydrophobicContact CE1-CG 3.64Å; F231-K243 HydrophobicContact CE2-CB 3.66Å; F231-K243 HydrophobicContact CE2-CG 4.44Å; F231-K243 HydrophobicContact CG-CB 4.41Å; F231-K243 HydrophobicContact CZ-CB 3.47Å; F231-K243 VanDerWaalsContact CZ-CB 3.47Å; F231-K243 HydrophobicContact CZ-CD 4.32Å; F231-K243 HydrophobicContact CZ-CG 3.9Å; F231-F246 HydrophobicContact CB-CB 3.5Å; F231-F246 HydrophobicContact CB-CD1 4.23Å; F231-F246 HydrophobicContact CB-CD2 3.83Å; F231-F246 HydrophobicContact CB-CG 3.59Å; F231-F246 HydrophobicContact CG-CB 4.19Å; F231-F246 HydrophobicContact CG-CG 4.39Å
232T72.7Confident69.8Low69 Ų6986 Ų8642%0.42345%0.445SS..EExtended strand (participates in β ladder)trans-116.7127.5-177.9-52.50000109.8Q234 A238 A239 F246T232-Q234 PolarHBondContact O-N 3.25Å; T232-A238 CarbonylContact C-O 3.13Å; T232-A238 WeakPolarHBondContact CA-O 3.41Å; T232-A239 HydrophobicContact CG2-CB 4.35Å; T232-F246 WeakPolarHBondContact O-CE2 3.48Å
233C74.7Confident69.6Low6 Ų689 Ų894%0.04146%0.457CS..  trans-67.9120.4174.5-176.70000110.1T235 C236 G237 A238 F246 H249 H253C233-T235 VanDerWaalsContact C-N 3.29Å; C233-T235 PolarHBondContact SG-N 3.43Å; C233-T235 VanDerWaalsContact SG-N 3.43Å; C233-C236 VanDerWaalsContact SG-SG 3.69Å; C233-G237 WeakPolarHBondContact O-CA 3.23Å; C233-G237 PolarHBondContact O-N 2.92Å; C233-A238 HydrophobicContact CB-CB 4.31Å; C233-A238 PolarHBondContact N-O 3.43Å; C233-F246 HydrophobicContact CB-CE2 4.33Å; C233-H249 WeakPolarHBondContact CB-NE2 3.43Å; C233-H249 PolarHBondContact SG-NE2 3.1Å; C233-H253 PolarHBondContact SG-NE2 3.17Å; C233-H253 VanDerWaalsContact SG-NE2 3.43Å
234Q75.9Confident69.5Low186 Ų18683.3 Ų83.387%0.86943%0.433SS*.THydrogen-bonded Turntrans-71.8-25.4176.7-64.3-69.9-25.800112T232T232-Q234 PolarHBondContact O-N 3.25Å
235T70.3Confident70Confident107 Ų10779.6 Ų79.666%0.65642%0.424SS*.THydrogen-bonded Turntrans-75.9-34.8-178.9-44.40000113.1C233C233-T235 VanDerWaalsContact C-N 3.29Å; C233-T235 PolarHBondContact SG-N 3.43Å; C233-T235 VanDerWaalsContact SG-N 3.43Å
236C70.3Confident70.6Confident72 Ų7280 Ų8049%0.48643%0.426SS..THydrogen-bonded Turntrans-135.81.2-176.373.60000115.7C233 A238 H249C233-C236 VanDerWaalsContact SG-SG 3.69Å; C236-A238 VanDerWaalsContact C-N 3.27Å; C236-A238 PolarHBondContact O-N 2.76Å; C236-H249 PolarHBondContact SG-CE1 3.02Å; C236-H249 PolarHBondContact SG-NE2 2.81Å
237G68.7Low71.1Confident50 Ų5076.1 Ų76.152%0.51541%0.405SS..  trans77.4-0179.600000115.8C233 A239C233-G237 WeakPolarHBondContact O-CA 3.23Å; C233-G237 PolarHBondContact O-N 2.92Å; G237-A239 PolarHBondContact O-N 3.29Å
238A72.1Confident72.2Confident32 Ų3277 Ų7726%0.26441%0.408SS..  trans-64.1128.9-179.800000112T232 C233 C236 F240T232-A238 CarbonylContact C-O 3.13Å; T232-A238 WeakPolarHBondContact CA-O 3.41Å; C233-A238 HydrophobicContact CB-CB 4.31Å; C233-A238 PolarHBondContact N-O 3.43Å; C236-A238 VanDerWaalsContact C-N 3.27Å; C236-A238 PolarHBondContact O-N 2.76Å; A238-F240 HydrophobicContact CB-CE2 3.6Å; A238-F240 HydrophobicContact CB-CZ 3.78Å; A238-F240 WeakPolarHBondContact O-CE2 3.4Å
239A71.8Confident73.4Confident34 Ų3474.3 Ų74.328%0.28139%0.388SS..EExtended strand (participates in β ladder)trans-113128.6-17500000112.9K229 F231 T232 G237K229-A239 HydrophobicContact CB-CB 4.23Å; K229-A239 HydrophobicContact CD-CB 3.59Å; F231-A239 CarbonylContact O-C 3.44Å; F231-A239 WeakPolarHBondContact O-CA 3.21Å; T232-A239 HydrophobicContact CG2-CB 4.35Å; G237-A239 PolarHBondContact O-N 3.29Å
240F71.5Confident74.2Confident45 Ų4570 Ų7020%0.19738%0.376CS..EExtended strand (participates in β ladder)trans-122147.4-173.1-55.4-89.5000111.5R230 F231 A238 N245 F246 H249R230-F240 PolarHBondContact N-O 2.8Å; R230-F240 VanDerWaalsContact N-O 3.17Å; F231-F240 HydrophobicContact CB-CB 4.49Å; F231-F240 PolarHBondContact N-O 2.83Å; F231-F240 PolarHBondContact O-N 3.01Å; A238-F240 HydrophobicContact CB-CE2 3.6Å; A238-F240 HydrophobicContact CB-CZ 3.78Å; A238-F240 WeakPolarHBondContact O-CE2 3.4Å; F240-N245 HydrophobicContact CB-CB 4.29Å; F240-N245 HydrophobicContact CD1-CB 3.72Å; F240-N245 HydrophobicContact CG-CB 4.29Å; F240-F246 HydrophobicContact CB-CB 3.98Å; F240-F246 HydrophobicContact CD2-CB 3.89Å; F240-F246 HydrophobicContact CD2-CD2 4.05Å; F240-F246 HydrophobicContact CD2-CG 4.49Å; F240-F246 HydrophobicContact CG-CB 4.09Å; F240-H249 HydrophobicContact CE1-CB 3.99Å; F240-H249 HydrophobicContact CE2-CB 3.69Å; F240-H249 AromaticContact CE2-CD2 3.49Å; F240-H249 VanDerWaalsContact CE2-CD2 3.49Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.45Å; F240-H249 VanDerWaalsContact CE2-CG 3.45Å; F240-H249 HydrophobicContact CZ-CB 3.36Å; F240-H249 AromaticContact CZ-CD2 3.77Å; F240-H249 AromaticContact CZ-CG 3.24Å; F240-H249 AromaticContact CZ-ND1 3.55Å
241K66.7Low74.8Confident43 Ų4368.7 Ų68.719%0.18737%0.371CS..SBendtrans-86.2-30.2179.8-65.2-174.1174.4-152.50113W224 H225 S227 K229W224-K241 PolarHBondContact O-NZ 3.33Å; H225-K241 PolarHBondContact O-NZ 3.38Å; S227-K241 WeakPolarHBondContact O-CE 3.19Å; S227-K241 PolarHBondContact O-NZ 2.99Å; K229-K241 HydrophobicContact CB-CG 4.42Å; K229-K241 HydrophobicContact CG-CD 4.49Å; K229-K241 HydrophobicContact CG-CG 3.8Å
242M70.6Confident75.1Confident88 Ų8871.2 Ų71.243%0.43339%0.391SS..SBendtrans-113137.9-179.9-62.2-175.2-64.400109E244 N245 F246M242-E244 PolarHBondContact O-N 2.86Å; M242-N245 PolarHBondContact O-N 3.17Å; M242-F246 PolarHBondContact O-N 2.91Å
243K77.8Confident75.2Confident112 Ų11271.6 Ų71.649%0.48739%0.388SS..Hα-helixtrans-57.4-38.8177-165.6-179.3171.7-178.20111F231 N245 F246 D247F231-K243 HydrophobicContact CD1-CB 4.23Å; F231-K243 HydrophobicContact CD1-CG 4.01Å; F231-K243 HydrophobicContact CD2-CB 4.13Å; F231-K243 VanDerWaalsContact CD2-N 3.35Å; F231-K243 HydrophobicContact CE1-CB 3.77Å; F231-K243 HydrophobicContact CE1-CD 4.05Å; F231-K243 HydrophobicContact CE1-CG 3.64Å; F231-K243 HydrophobicContact CE2-CB 3.66Å; F231-K243 HydrophobicContact CE2-CG 4.44Å; F231-K243 HydrophobicContact CG-CB 4.41Å; F231-K243 HydrophobicContact CZ-CB 3.47Å; F231-K243 VanDerWaalsContact CZ-CB 3.47Å; F231-K243 HydrophobicContact CZ-CD 4.32Å; F231-K243 HydrophobicContact CZ-CG 3.9Å; K243-N245 VanDerWaalsContact C-N 3.35Å; K243-N245 PolarHBondContact O-N 3.3Å; K243-F246 CarbonylContact O-C 3.6Å; K243-F246 WeakPolarHBondContact O-CA 3.49Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.86Å; K243-F246 VanDerWaalsContact O-N 3.08Å; K243-D247 VanDerWaalsContact O-CG 3.29Å; K243-D247 PolarHBondContact O-N 3.15Å
244E74Confident74.9Confident37 Ų3776.7 Ų76.717%0.17341%0.409CS..Hα-helixtrans-57.9-44.8180-64.5102.2-154.100112.7Y43 K50 M242 F246 D247 V248Y43-E244 HydrophobicContact CE1-CG 3.94Å; Y43-E244 VanDerWaalsContact OH-CG 3.28Å; Y43-E244 WeakPolarHBondContact OH-CG 3.48Å; Y43-E244 PolarHBondContact OH-OE1 3.19Å; K50-E244 VanDerWaalsContact CD-OE1 3.27Å; K50-E244 WeakPolarHBondContact CD-OE1 3.33Å; K50-E244 IonicContact NZ-OE1 2.64Å; K50-E244 PolarHBondContact NZ-OE1 2.99Å; K50-E244 IonicContact NZ-OE2 2.83Å; K50-E244 PolarHBondContact NZ-OE2 3.36Å; M242-E244 PolarHBondContact O-N 2.86Å; E244-F246 VanDerWaalsContact C-N 3.3Å; E244-F246 PolarHBondContact O-N 3.3Å; E244-D247 PolarHBondContact O-N 3.39Å; E244-V248 WeakPolarHBondContact O-CB 3.29Å; E244-V248 WeakPolarHBondContact O-CG2 3.47Å; E244-V248 PolarHBondContact O-N 2.95Å
245N78.4Confident74.2Confident78 Ų7872.7 Ų72.742%0.41740%0.4SS..Hα-helixtrans-67.7-35.5178.6-69.17.6000111.4F240 M242 K243 H249F240-N245 HydrophobicContact CB-CB 4.29Å; F240-N245 HydrophobicContact CD1-CB 3.72Å; F240-N245 HydrophobicContact CG-CB 4.29Å; M242-N245 PolarHBondContact O-N 3.17Å; K243-N245 VanDerWaalsContact C-N 3.35Å; K243-N245 PolarHBondContact O-N 3.3Å; N245-H249 WeakPolarHBondContact O-CB 3.49Å; N245-H249 PolarHBondContact O-N 2.93Å
246F84.1Confident73.9Confident48 Ų4873.4 Ų73.421%0.21141%0.406CS..Hα-helixtrans-65.4-43.3172.4167.6-94.1000111.8F231 T232 C233 F240 M242 K243 E244 H249 A250F231-F246 HydrophobicContact CB-CB 3.5Å; F231-F246 HydrophobicContact CB-CD1 4.23Å; F231-F246 HydrophobicContact CB-CD2 3.83Å; F231-F246 HydrophobicContact CB-CG 3.59Å; F231-F246 HydrophobicContact CG-CB 4.19Å; F231-F246 HydrophobicContact CG-CG 4.39Å; T232-F246 WeakPolarHBondContact O-CE2 3.48Å; C233-F246 HydrophobicContact CB-CE2 4.33Å; F240-F246 HydrophobicContact CB-CB 3.98Å; F240-F246 HydrophobicContact CD2-CB 3.89Å; F240-F246 HydrophobicContact CD2-CD2 4.05Å; F240-F246 HydrophobicContact CD2-CG 4.49Å; F240-F246 HydrophobicContact CG-CB 4.09Å; M242-F246 PolarHBondContact O-N 2.91Å; K243-F246 CarbonylContact O-C 3.6Å; K243-F246 WeakPolarHBondContact O-CA 3.49Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.86Å; K243-F246 VanDerWaalsContact O-N 3.08Å; E244-F246 VanDerWaalsContact C-N 3.3Å; E244-F246 PolarHBondContact O-N 3.3Å; F246-H249 CarbonylContact O-C 3.19Å; F246-H249 WeakPolarHBondContact O-CB 3.36Å; F246-H249 PolarHBondContact O-N 3.38Å; F246-A250 WeakPolarHBondContact O-CB 3.36Å; F246-A250 PolarHBondContact O-N 3.29Å
247D80Confident74.1Confident63 Ų6374 Ų7434%0.33740%0.401SS..Hα-helixtrans-67.1-42.3179.5-67.8-20.1000110.8K243 E244 H249 A250 R251K243-D247 VanDerWaalsContact O-CG 3.29Å; K243-D247 PolarHBondContact O-N 3.15Å; E244-D247 PolarHBondContact O-N 3.39Å; D247-H249 VanDerWaalsContact C-N 3.31Å; D247-H249 PolarHBondContact O-N 3.46Å; D247-A250 PolarHBondContact O-N 3.02Å; D247-R251 WeakPolarHBondContact O-CG 3.42Å; D247-R251 PolarHBondContact O-N 3.06Å; D247-R251 VanDerWaalsContact O-N 3.08Å
248V81.8Confident74.6Confident72 Ų7276 Ų7644%0.43640%0.404SS..Hα-helixtrans-57.7-46.9171.7173.10000110.2E244 R251E244-V248 WeakPolarHBondContact O-CB 3.29Å; E244-V248 WeakPolarHBondContact O-CG2 3.47Å; E244-V248 PolarHBondContact O-N 2.95Å; V248-R251 WeakPolarHBondContact O-CB 3.42Å; V248-R251 PolarHBondContact O-N 2.9Å
249H81.9Confident75Confident35 Ų3578 Ų7816%0.16241%0.407CS..Hα-helixtrans-64-39.7176.917179.5000112.4C233 C236 F240 N245 F246 D247 R251 V252 H253C233-H249 WeakPolarHBondContact CB-NE2 3.43Å; C233-H249 PolarHBondContact SG-NE2 3.1Å; C236-H249 PolarHBondContact SG-CE1 3.02Å; C236-H249 PolarHBondContact SG-NE2 2.81Å; F240-H249 HydrophobicContact CE1-CB 3.99Å; F240-H249 HydrophobicContact CE2-CB 3.69Å; F240-H249 AromaticContact CE2-CD2 3.49Å; F240-H249 VanDerWaalsContact CE2-CD2 3.49Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.45Å; F240-H249 VanDerWaalsContact CE2-CG 3.45Å; F240-H249 HydrophobicContact CZ-CB 3.36Å; F240-H249 AromaticContact CZ-CD2 3.77Å; F240-H249 AromaticContact CZ-CG 3.24Å; F240-H249 AromaticContact CZ-ND1 3.55Å; N245-H249 WeakPolarHBondContact O-CB 3.49Å; N245-H249 PolarHBondContact O-N 2.93Å; F246-H249 CarbonylContact O-C 3.19Å; F246-H249 WeakPolarHBondContact O-CB 3.36Å; F246-H249 PolarHBondContact O-N 3.38Å; D247-H249 VanDerWaalsContact C-N 3.31Å; D247-H249 PolarHBondContact O-N 3.46Å; H249-R251 PolarHBondContact O-N 2.69Å; H249-V252 VanDerWaalsContact O-CB 3.3Å; H249-V252 WeakPolarHBondContact O-CB 3.49Å; H249-V252 VanDerWaalsContact O-CG2 3.23Å; H249-V252 WeakPolarHBondContact O-CG2 3.35Å; H249-V252 PolarHBondContact O-N 2.89Å; H249-H253 AromaticContact CD2-NE2 3.9Å; H249-H253 AromaticContact CE1-NE2 3.46Å; H249-H253 PolarHBondContact CE1-NE2 2.85Å; H249-H253 AromaticContact NE2-CD2 3.78Å; H249-H253 AromaticContact NE2-NE2 3.06Å; H249-H253 PolarHBondContact NE2-NE2 2.84Å
250A78.3Confident75.4Confident39 Ų3978 Ų7832%0.32241%0.41SS..Hα-helixtrans-62.8-31.5178.500000111.7F246 D247 V252 H253F246-A250 WeakPolarHBondContact O-CB 3.36Å; F246-A250 PolarHBondContact O-N 3.29Å; D247-A250 PolarHBondContact O-N 3.02Å; A250-V252 PolarHBondContact O-N 3.22Å; A250-H253 PolarHBondContact O-N 3.38Å; A250-H253 VanDerWaalsContact O-N 3.14Å
251R79Confident75.8Confident166 Ų16676 Ų7663%0.62640%0.402SS*.Hα-helixtrans-64-25.6174.1-70.6-171.2-69.1-1227.8113.6D247 V248 H249 H253 K254D247-R251 WeakPolarHBondContact O-CG 3.42Å; D247-R251 PolarHBondContact O-N 3.06Å; D247-R251 VanDerWaalsContact O-N 3.08Å; V248-R251 WeakPolarHBondContact O-CB 3.42Å; V248-R251 PolarHBondContact O-N 2.9Å; H249-R251 PolarHBondContact O-N 2.69Å; R251-H253 PolarHBondContact O-N 3.42Å; R251-K254 PolarHBondContact O-N 2.94Å; R251-K254 VanDerWaalsContact O-N 3.14Å
252V77Confident76.6Confident114 Ų11480.2 Ų80.269%0.69143%0.427SS*.Hα-helixtrans-68.1-24.2177.5-160.10000111.1H249 A250H249-V252 VanDerWaalsContact O-CB 3.3Å; H249-V252 WeakPolarHBondContact O-CB 3.49Å; H249-V252 VanDerWaalsContact O-CG2 3.23Å; H249-V252 WeakPolarHBondContact O-CG2 3.35Å; H249-V252 PolarHBondContact O-N 2.89Å; A250-V252 PolarHBondContact O-N 3.22Å
253H75.1Confident77Confident76 Ų7683 Ų8335%0.35244%0.443SS..THydrogen-bonded Turntrans-90.6-5.2175.4-57.8-61.7000113.3C233 H249 A250 R251C233-H253 PolarHBondContact SG-NE2 3.17Å; C233-H253 VanDerWaalsContact SG-NE2 3.43Å; H249-H253 AromaticContact CD2-NE2 3.9Å; H249-H253 AromaticContact CE1-NE2 3.46Å; H249-H253 PolarHBondContact CE1-NE2 2.85Å; H249-H253 AromaticContact NE2-CD2 3.78Å; H249-H253 AromaticContact NE2-NE2 3.06Å; H249-H253 PolarHBondContact NE2-NE2 2.84Å; A250-H253 PolarHBondContact O-N 3.38Å; A250-H253 VanDerWaalsContact O-N 3.14Å; R251-H253 PolarHBondContact O-N 3.42Å
254K68.7Low77.3Confident113 Ų11380.3 Ų80.349%0.49144%0.437SS..SBendtrans-79126.7177-165176.5-176.1179.40108.8R251 E269R251-K254 PolarHBondContact O-N 2.94Å; R251-K254 VanDerWaalsContact O-N 3.14Å; K254-E269 IonicContact NZ-OE1 2.73Å; K254-E269 PolarHBondContact NZ-OE1 3.38Å; K254-E269 IonicContact NZ-OE2 2.74Å; K254-E269 PolarHBondContact NZ-OE2 3.26Å
255P61Low77.3Confident103 Ų10385.4 Ų85.467%0.66946%0.461SS*.PPolyproline II helixtrans-60.5148.9178.321.7-30.6000111.6
256P63.1Low77.3Confident122 Ų12289.3 Ų89.379%0.79247%0.47SS*.PPolyproline II helixtrans-62.4146.2179.625.6-33000111.4P258P256-P258 WeakPolarHBondContact O-CD 3.43Å
257K75.7Confident77Confident84 Ų8493 Ų9337%0.36549%0.486SS..PPolyproline II helixtrans-69.1117.1176.5-68.4-167.2-179.4-146.90109.7F267 Y268 E269K257-F267 HydrophobicContact CB-CB 3.74Å; K257-F267 WeakPolarHBondContact CD-O 3.37Å; K257-F267 VanDerWaalsContact O-CD1 3.32Å; K257-F267 WeakPolarHBondContact O-CD1 3.49Å; K257-Y268 WeakPolarHBondContact CB-O 3.26Å; K257-E269 HydrophobicContact CD-CG 3.81Å; K257-E269 WeakPolarHBondContact CE-OE1 3.47Å; K257-E269 HydrophobicContact CG-CG 3.67Å; K257-E269 IonicContact NZ-OE1 3.17Å; K257-E269 PolarHBondContact NZ-OE1 3.12Å
258P77.7Confident77Confident91 Ų9191.4 Ų91.459%0.59148%0.475SS*.  trans-80.4-20.3-168.628.8-32.4000114.6P256P256-P258 WeakPolarHBondContact O-CD 3.43Å
259F82Confident76.8Confident74 Ų7492 Ų9233%0.32547%0.473SS..EExtended strand (participates in β ladder)trans-101.6111.5-171.1-56.6-72.5000112.1F267 Y268 I271 L274F259-F267 CarbonylContact O-C 3.39Å; F259-F267 WeakPolarHBondContact O-CA 3.32Å; F259-Y268 PolarHBondContact N-O 3.27Å; F259-Y268 PolarHBondContact O-N 3.18Å; F259-I271 HydrophobicContact CD1-CB 4.26Å; F259-I271 HydrophobicContact CD1-CG1 4.26Å; F259-I271 HydrophobicContact CE1-CB 4.17Å; F259-I271 HydrophobicContact CE1-CD1 4.42Å; F259-I271 HydrophobicContact CE1-CG1 4.4Å; F259-I271 HydrophobicContact CE2-CB 4.46Å; F259-I271 HydrophobicContact CG-CB 4.45Å; F259-I271 HydrophobicContact CZ-CB 4.28Å; F259-L274 HydrophobicContact CB-CD2 4.17Å
260G79Confident76.7Confident34 Ų3497.5 Ų97.535%0.35149%0.493SS..EExtended strand (participates in β ladder)trans-103.7138.4-178.800000113.9R266G260-R266 CarbonylContact C-O 3.54Å; G260-R266 WeakPolarHBondContact CA-O 3.17Å
261C80.8Confident76.9Confident4 Ų498.8 Ų98.83%0.02749%0.494CS..  trans-74.3124.9167.4177.80000110.2L263 H265 R266 Y268 L274 H277C261-L263 VanDerWaalsContact C-N 3.3Å; C261-L263 PolarHBondContact O-N 3.1Å; C261-L263 PolarHBondContact SG-N 3.39Å; C261-H265 WeakPolarHBondContact O-CA 3.25Å; C261-H265 PolarHBondContact O-N 2.86Å; C261-R266 PolarHBondContact N-O 3.05Å; C261-Y268 HydrophobicContact CB-CE2 4.27Å; C261-L274 HydrophobicContact CB-CD1 3.63Å; C261-H277 VanDerWaalsContact SG-CD2 3.57Å; C261-H277 PolarHBondContact SG-NE2 3.21Å; C261-H277 VanDerWaalsContact SG-NE2 3.36Å
262N82.1Confident77.3Confident132 Ų13296.4 Ų96.471%0.70649%0.489SS*.THydrogen-bonded Turntrans-71.5-22178.461.4-20.9000113.4
263L79.2Confident77.6Confident146 Ų14693.6 Ų93.676%0.76447%0.469SS*.THydrogen-bonded Turntrans-86-37-179.5-62.6175.9000113.5C261C261-L263 VanDerWaalsContact C-N 3.3Å; C261-L263 PolarHBondContact O-N 3.1Å; C261-L263 PolarHBondContact SG-N 3.39Å
264C83.8Confident78.1Confident56 Ų5691.6 Ų91.638%0.37846%0.46SS..THydrogen-bonded Turntrans-1260.3-175.781.70000115R266 H277C264-R266 PolarHBondContact O-N 2.99Å; C264-R266 VanDerWaalsContact O-N 3.16Å; C264-R266 VanDerWaalsContact SG-CG 3.58Å; C264-H277 VanDerWaalsContact SG-CE1 3.55Å; C264-H277 PolarHBondContact SG-NE2 2.84Å
265H75.4Confident78.8Confident143 Ų14393.1 Ų93.166%0.66246%0.464SS*.  trans5923.8178-51.7-59000115.4C261 F267C261-H265 WeakPolarHBondContact O-CA 3.25Å; C261-H265 PolarHBondContact O-N 2.86Å; H265-F267 WeakPolarHBondContact O-CD2 3.33Å
266R78.5Confident80Confident160 Ų16093.5 Ų93.560%0.60446%0.464SS*.  trans-79.4138.4168.6-73.9-178.2178.9177.52.4111.1G260 C261 C264 Y268G260-R266 CarbonylContact C-O 3.54Å; G260-R266 WeakPolarHBondContact CA-O 3.17Å; C261-R266 PolarHBondContact N-O 3.05Å; C264-R266 PolarHBondContact O-N 2.99Å; C264-R266 VanDerWaalsContact O-N 3.16Å; C264-R266 VanDerWaalsContact SG-CG 3.58Å; R266-Y268 HydrophobicContact CB-CE2 3.88Å; R266-Y268 WeakPolarHBondContact CB-OH 3.2Å; R266-Y268 WeakPolarHBondContact O-CE2 3.49Å
267F77.9Confident80.9Confident125 Ų12590.6 Ų90.655%0.54844%0.44SS..EExtended strand (participates in β ladder)trans-105.9142.7178.5-67.4-99.4000112.4K257 F259 H265K257-F267 HydrophobicContact CB-CB 3.74Å; K257-F267 WeakPolarHBondContact CD-O 3.37Å; K257-F267 VanDerWaalsContact O-CD1 3.32Å; K257-F267 WeakPolarHBondContact O-CD1 3.49Å; F259-F267 CarbonylContact O-C 3.39Å; F259-F267 WeakPolarHBondContact O-CA 3.32Å; H265-F267 WeakPolarHBondContact O-CD2 3.33Å
268Y78.6Confident80.8Confident31 Ų3189.9 Ų89.912%0.12245%0.445CS..EExtended strand (participates in β ladder)trans-125.3149.7-172.2-62.2-80.2000111.7K257 F259 C261 R266 E273 L274 H277K257-Y268 WeakPolarHBondContact CB-O 3.26Å; F259-Y268 PolarHBondContact N-O 3.27Å; F259-Y268 PolarHBondContact O-N 3.18Å; C261-Y268 HydrophobicContact CB-CE2 4.27Å; R266-Y268 HydrophobicContact CB-CE2 3.88Å; R266-Y268 WeakPolarHBondContact CB-OH 3.2Å; R266-Y268 WeakPolarHBondContact O-CE2 3.49Å; Y268-E273 HydrophobicContact CD1-CB 3.62Å; Y268-E273 HydrophobicContact CG-CB 3.99Å; Y268-L274 HydrophobicContact CD2-CB 3.82Å; Y268-L274 HydrophobicContact CD2-CD1 3.87Å; Y268-L274 HydrophobicContact CD2-CG 4.44Å; Y268-L274 HydrophobicContact CE2-CD1 3.94Å; Y268-L274 HydrophobicContact CG-CB 4.27Å; Y268-H277 HydrophobicContact CE1-CB 4.27Å; Y268-H277 HydrophobicContact CE2-CB 4.12Å; Y268-H277 AromaticContact CE2-CD2 3.68Å; Y268-H277 AromaticContact CE2-CG 3.96Å; Y268-H277 AromaticContact CZ-CD2 3.7Å; Y268-H277 AromaticContact CZ-CG 3.54Å; Y268-H277 WeakPolarHBondContact OH-CB 3.36Å; Y268-H277 PolarHBondContact OH-CD2 3.34Å; Y268-H277 PolarHBondContact OH-CE1 2.91Å; Y268-H277 PolarHBondContact OH-ND1 3.06Å; Y268-H277 VanDerWaalsContact OH-ND1 3.11Å; Y268-H277 PolarHBondContact OH-NE2 3.12Å
269E77.4Confident80.7Confident84 Ų8493.2 Ų93.239%0.39347%0.465SS..SBendtrans-75.3-32.3-177.6-78172.7-14400111.5K254 K257 E273K254-E269 IonicContact NZ-OE1 2.73Å; K254-E269 PolarHBondContact NZ-OE1 3.38Å; K254-E269 IonicContact NZ-OE2 2.74Å; K254-E269 PolarHBondContact NZ-OE2 3.26Å; K257-E269 HydrophobicContact CD-CG 3.81Å; K257-E269 WeakPolarHBondContact CE-OE1 3.47Å; K257-E269 HydrophobicContact CG-CG 3.67Å; K257-E269 IonicContact NZ-OE1 3.17Å; K257-E269 PolarHBondContact NZ-OE1 3.12Å; E269-E273 PolarHBondContact N-OE2 3.26Å
270R79.6Confident80.6Confident151 Ų15194.2 Ų94.257%0.5747%0.472SS*.SBendtrans-130.2155.8179.9-54.1173.4-75.1-142.1-4.8110.4E272 E273R270-E272 VanDerWaalsContact C-N 3.28Å; R270-E272 WeakPolarHBondContact CB-OE2 3.45Å; R270-E272 PolarHBondContact O-N 2.94Å; R270-E273 IonicContact CZ-OE1 3.39Å; R270-E273 IonicContact NE-OE1 3.25Å; R270-E273 PolarHBondContact NE-OE1 3.18Å; R270-E273 IonicContact NH2-OE1 2.75Å; R270-E273 PolarHBondContact NH2-OE1 3.39Å; R270-E273 PolarHBondContact O-N 3.25Å
271I83.9Confident80.7Confident66 Ų6697.4 Ų97.434%0.33848%0.478SS..Hα-helixtrans-68.1-28.9-177.2-160172.6000111.9F259 E273 L274 Y275F259-I271 HydrophobicContact CD1-CB 4.26Å; F259-I271 HydrophobicContact CD1-CG1 4.26Å; F259-I271 HydrophobicContact CE1-CB 4.17Å; F259-I271 HydrophobicContact CE1-CD1 4.42Å; F259-I271 HydrophobicContact CE1-CG1 4.4Å; F259-I271 HydrophobicContact CE2-CB 4.46Å; F259-I271 HydrophobicContact CG-CB 4.45Å; F259-I271 HydrophobicContact CZ-CB 4.28Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 3.13Å; I271-L274 WeakPolarHBondContact O-CB 3.16Å; I271-L274 PolarHBondContact O-N 3.5Å; I271-L274 VanDerWaalsContact O-N 3.14Å; I271-Y275 HydrophobicContact CD1-CE2 3.89Å; I271-Y275 HydrophobicContact CG1-CD2 4.01Å; I271-Y275 HydrophobicContact CG1-CE2 3.68Å; I271-Y275 HydrophobicContact CG2-CD2 4.48Å; I271-Y275 HydrophobicContact CG2-CE2 4.35Å; I271-Y275 VanDerWaalsContact O-CD2 3.22Å; I271-Y275 WeakPolarHBondContact O-CD2 3.2Å; I271-Y275 PolarHBondContact O-N 3.4Å
272E87.5Confident80.7Confident115 Ų115102.6 Ų102.654%0.53750%0.503SS..Hα-helixtrans-64.1-35.7178.2-57.578.3-170.300112R270 L274 Y275 V276R270-E272 VanDerWaalsContact C-N 3.28Å; R270-E272 WeakPolarHBondContact CB-OE2 3.45Å; R270-E272 PolarHBondContact O-N 2.94Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-Y275 PolarHBondContact O-N 3.22Å; E272-V276 WeakPolarHBondContact O-CG2 3.43Å; E272-V276 PolarHBondContact O-N 3.41Å
273E83.8Confident80.6Confident56 Ų56100.8 Ų100.826%0.26249%0.491SS..Hα-helixtrans-67.8-34.5175.8-66.1172-172.900111.6Y268 E269 R270 I271 H277Y268-E273 HydrophobicContact CD1-CB 3.62Å; Y268-E273 HydrophobicContact CG-CB 3.99Å; E269-E273 PolarHBondContact N-OE2 3.26Å; R270-E273 IonicContact CZ-OE1 3.39Å; R270-E273 IonicContact NE-OE1 3.25Å; R270-E273 PolarHBondContact NE-OE1 3.18Å; R270-E273 IonicContact NH2-OE1 2.75Å; R270-E273 PolarHBondContact NH2-OE1 3.39Å; R270-E273 PolarHBondContact O-N 3.25Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 3.13Å; E273-H277 VanDerWaalsContact O-CB 3.31Å; E273-H277 WeakPolarHBondContact O-CB 3.42Å; E273-H277 PolarHBondContact O-N 3.16Å
274L84.5Confident80.7Confident33 Ų3398 Ų9817%0.17347%0.474CS..Hα-helixtrans-68.5-43.4172.1173.961.2000110.7F259 C261 Y268 I271 E272 H277 S278F259-L274 HydrophobicContact CB-CD2 4.17Å; C261-L274 HydrophobicContact CB-CD1 3.63Å; Y268-L274 HydrophobicContact CD2-CB 3.82Å; Y268-L274 HydrophobicContact CD2-CD1 3.87Å; Y268-L274 HydrophobicContact CD2-CG 4.44Å; Y268-L274 HydrophobicContact CE2-CD1 3.94Å; Y268-L274 HydrophobicContact CG-CB 4.27Å; I271-L274 WeakPolarHBondContact O-CB 3.16Å; I271-L274 PolarHBondContact O-N 3.5Å; I271-L274 VanDerWaalsContact O-N 3.14Å; E272-L274 VanDerWaalsContact C-N 3.32Å; L274-H277 CarbonylContact O-C 3.58Å; L274-H277 WeakPolarHBondContact O-CB 3.33Å; L274-H277 PolarHBondContact O-N 2.84Å; L274-H277 VanDerWaalsContact O-N 3.16Å; L274-S278 WeakPolarHBondContact O-CB 3.35Å; L274-S278 PolarHBondContact O-N 3.44Å; L274-S278 PolarHBondContact O-OG 2.83Å; L274-S278 VanDerWaalsContact O-OG 3.13Å
275Y83.4Confident80.5Confident145 Ų145100.8 Ų100.857%0.56948%0.48SS*.Hα-helixtrans-57.8-52.3177.6-84.8-65.7000112I271 E272 H277 S278 T279I271-Y275 HydrophobicContact CD1-CE2 3.89Å; I271-Y275 HydrophobicContact CG1-CD2 4.01Å; I271-Y275 HydrophobicContact CG1-CE2 3.68Å; I271-Y275 HydrophobicContact CG2-CD2 4.48Å; I271-Y275 HydrophobicContact CG2-CE2 4.35Å; I271-Y275 VanDerWaalsContact O-CD2 3.22Å; I271-Y275 WeakPolarHBondContact O-CD2 3.2Å; I271-Y275 PolarHBondContact O-N 3.4Å; E272-Y275 PolarHBondContact O-N 3.22Å; Y275-H277 PolarHBondContact O-N 3.34Å; Y275-S278 WeakPolarHBondContact CA-OG 3.4Å; Y275-S278 PolarHBondContact O-N 3.45Å; Y275-S278 PolarHBondContact O-OG 3.07Å; Y275-T279 WeakPolarHBondContact O-CG2 3.41Å; Y275-T279 PolarHBondContact O-N 3.45Å; Y275-T279 VanDerWaalsContact O-N 3.09Å; Y275-T279 PolarHBondContact O-OG1 3.16Å
276V85.8Confident80.9Confident111 Ų11197.8 Ų97.867%0.67347%0.467SS*.Hα-helixtrans-60.6-29.3177.7174.10000112.1E272 T279E272-V276 WeakPolarHBondContact O-CG2 3.43Å; E272-V276 PolarHBondContact O-N 3.41Å; V276-T279 PolarHBondContact O-OG1 3.41Å; V276-T279 VanDerWaalsContact O-OG1 3.14Å
277H82.1Confident81Confident62 Ų6293 Ų9329%0.28746%0.457SS..Hα-helixtrans-78.7-28.8175.3171.666000113.5C261 C264 Y268 E273 L274 Y275C261-H277 VanDerWaalsContact SG-CD2 3.57Å; C261-H277 PolarHBondContact SG-NE2 3.21Å; C261-H277 VanDerWaalsContact SG-NE2 3.36Å; C264-H277 VanDerWaalsContact SG-CE1 3.55Å; C264-H277 PolarHBondContact SG-NE2 2.84Å; Y268-H277 HydrophobicContact CE1-CB 4.27Å; Y268-H277 HydrophobicContact CE2-CB 4.12Å; Y268-H277 AromaticContact CE2-CD2 3.68Å; Y268-H277 AromaticContact CE2-CG 3.96Å; Y268-H277 AromaticContact CZ-CD2 3.7Å; Y268-H277 AromaticContact CZ-CG 3.54Å; Y268-H277 WeakPolarHBondContact OH-CB 3.36Å; Y268-H277 PolarHBondContact OH-CD2 3.34Å; Y268-H277 PolarHBondContact OH-CE1 2.91Å; Y268-H277 PolarHBondContact OH-ND1 3.06Å; Y268-H277 VanDerWaalsContact OH-ND1 3.11Å; Y268-H277 PolarHBondContact OH-NE2 3.12Å; E273-H277 VanDerWaalsContact O-CB 3.31Å; E273-H277 WeakPolarHBondContact O-CB 3.42Å; E273-H277 PolarHBondContact O-N 3.16Å; L274-H277 CarbonylContact O-C 3.58Å; L274-H277 WeakPolarHBondContact O-CB 3.33Å; L274-H277 PolarHBondContact O-N 2.84Å; L274-H277 VanDerWaalsContact O-N 3.16Å; Y275-H277 PolarHBondContact O-N 3.34Å
278S75.1Confident81.3Confident68 Ų6890.3 Ų90.348%0.47645%0.449SS..Hα-helixtrans-88.3-12-17862.50000114.7L274 Y275L274-S278 WeakPolarHBondContact O-CB 3.35Å; L274-S278 PolarHBondContact O-N 3.44Å; L274-S278 PolarHBondContact O-OG 2.83Å; L274-S278 VanDerWaalsContact O-OG 3.13Å; Y275-S278 WeakPolarHBondContact CA-OG 3.4Å; Y275-S278 PolarHBondContact O-N 3.45Å; Y275-S278 PolarHBondContact O-OG 3.07Å
279T74Confident81.5Confident162 Ų16295.7 Ų95.799%0.99448%0.479SS*.  trans-88.70171.153.70000111.4Y275 V276Y275-T279 WeakPolarHBondContact O-CG2 3.41Å; Y275-T279 PolarHBondContact O-N 3.45Å; Y275-T279 VanDerWaalsContact O-N 3.09Å; Y275-T279 PolarHBondContact O-OG1 3.16Å; V276-T279 PolarHBondContact O-OG1 3.41Å; V276-T279 VanDerWaalsContact O-OG1 3.14Å

Retrieved 279 of 279 residues in 205.8 ms (Link to these results)

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