A0A3Q0KU69_SCHMA Loading...

Putative heterogeneous nuclear ribonucleoprotein (Hnrnp)

AlphaFold DB , UniProt , Accession A0A3Q0KU69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 472 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
1M56.6Low87.9Confident217 Ų21748 Ų48100%1.06923%0.23SC*.  0118.40-72.4177.1173.500107F3M1-F3 HydrophobicContact CB-CZ 4.47Å
2C75.6Confident87.5Confident54 Ų5453.8 Ų53.837%0.36525%0.254SS..  trans-92.4137.5170-48.20000108V4 S82C2-V4 HydrophobicContact CB-CG2 4.38Å; C2-S82 VanDerWaalsContact CB-OG 3.26Å; C2-S82 WeakPolarHBondContact CB-OG 3.31Å
3F92.3Very high87.3Confident43 Ų4357.6 Ų57.619%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-94.9110.7178-55.2-74.1000107.1M1 L53 S55 K56 K59M1-F3 HydrophobicContact CB-CZ 4.47Å; F3-L53 HydrophobicContact CB-CB 4.09Å; F3-L53 PolarHBondContact O-N 2.71Å; F3-S55 VanDerWaalsContact CD2-CA 3.44Å; F3-K56 HydrophobicContact CD1-CB 3.99Å; F3-K56 HydrophobicContact CD1-CG 4.49Å; F3-K56 HydrophobicContact CE1-CB 3.5Å; F3-K56 VanDerWaalsContact CE1-CB 3.5Å; F3-K56 HydrophobicContact CE1-CG 4.12Å; F3-K56 HydrophobicContact CZ-CB 3.9Å; F3-K59 HydrophobicContact CB-CB 4.2Å; F3-K59 HydrophobicContact CB-CD 4.21Å; F3-K59 HydrophobicContact CD1-CD 4.33Å
4V93.6Very high87.2Confident0 Ų054.7 Ų54.70%028%0.28CS..EExtended strand (participates in β ladder)trans-117.5142-177.2-176.60000108.8C2 F50 I51 E52 S80 L85C2-V4 HydrophobicContact CB-CG2 4.38Å; V4-F50 HydrophobicContact CG1-CB 4.4Å; V4-F50 HydrophobicContact CG1-CD1 3.94Å; V4-I51 WeakPolarHBondContact CA-O 3.35Å; V4-E52 HydrophobicContact CG2-CG 4.21Å; V4-S80 CarbonylContact C-O 3.58Å; V4-S80 PolarHBondContact O-N 3.43Å; V4-L85 HydrophobicContact CG1-CB 4.15Å; V4-L85 HydrophobicContact CG2-CD2 4.38Å
5V95.8Very high87.3Confident0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-123142.4164.5-64.60000109.1I7 F50 I51 L53 K59 A62 M63 V77 F78V5-I7 HydrophobicContact CG2-CG2 4.47Å; V5-F50 CarbonylContact O-C 3.51Å; V5-F50 WeakPolarHBondContact O-CA 3.49Å; V5-I51 HydrophobicContact CG2-CB 3.8Å; V5-I51 HydrophobicContact CG2-CD1 4.24Å; V5-I51 HydrophobicContact CG2-CG1 4.36Å; V5-I51 PolarHBondContact N-O 2.82Å; V5-I51 PolarHBondContact O-N 3.5Å; V5-L53 HydrophobicContact CG1-CD1 3.95Å; V5-L53 HydrophobicContact CG2-CD1 4.07Å; V5-K59 HydrophobicContact CG1-CG 3.94Å; V5-A62 HydrophobicContact CG1-CB 4.11Å; V5-A62 HydrophobicContact CG2-CB 4.22Å; V5-M63 HydrophobicContact CG1-SD 4.23Å; V5-V77 HydrophobicContact CB-CG1 4.04Å; V5-V77 HydrophobicContact CG1-CG1 4.32Å; V5-V77 HydrophobicContact CG2-CG1 4.42Å; V5-F78 WeakPolarHBondContact CA-O 3.15Å
6R94.9Very high87.5Confident55 Ų5553.1 Ų53.121%0.20828%0.276CS..EExtended strand (participates in β ladder)trans-101.6128.3170.7-176.9-179.667.683.86.1107.9E48 F50 F78 S80R6-E48 IonicContact NH1-OE1 3.6Å; R6-E48 PolarHBondContact NH1-OE1 3.36Å; R6-F50 HydrophobicContact CB-CD1 3.84Å; R6-F50 HydrophobicContact CB-CE1 3.62Å; R6-F50 HydrophobicContact CB-CG 4.49Å; R6-F50 HydrophobicContact CB-CZ 4.08Å; R6-F50 HydrophobicContact CG-CD1 4.11Å; R6-F50 HydrophobicContact CG-CD2 4.34Å; R6-F50 HydrophobicContact CG-CE1 3.68Å; R6-F50 HydrophobicContact CG-CE2 3.9Å; R6-F50 HydrophobicContact CG-CG 4.44Å; R6-F50 HydrophobicContact CG-CZ 3.58Å; R6-F78 HydrophobicContact CB-CB 4.43Å; R6-F78 PolarHBondContact N-O 3.1Å; R6-F78 VanDerWaalsContact NH2-CG 3.26Å; R6-F78 PolarHBondContact O-N 3.23Å; R6-S80 WeakPolarHBondContact CB-OG 3.14Å
7I95.4Very high87.7Confident1 Ų154.6 Ų54.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-112.3140.9176.666.2170.7000110.2V5 L10 I19 F23 E48 A49 I51 I75 E76 V77V5-I7 HydrophobicContact CG2-CG2 4.47Å; I7-L10 HydrophobicContact CD1-CD1 3.84Å; I7-L10 HydrophobicContact CD1-CD2 3.71Å; I7-L10 HydrophobicContact CD1-CG 3.96Å; I7-L10 HydrophobicContact CG1-CD1 4.11Å; I7-L10 HydrophobicContact CG1-CG 4.31Å; I7-I19 HydrophobicContact CD1-CD1 3.94Å; I7-I19 HydrophobicContact CD1-CG1 4.12Å; I7-I19 HydrophobicContact CD1-CG2 4.32Å; I7-F23 HydrophobicContact CD1-CE2 4.06Å; I7-F23 HydrophobicContact CG2-CE2 4Å; I7-F23 HydrophobicContact CG2-CZ 3.7Å; I7-E48 CarbonylContact O-C 3.59Å; I7-E48 WeakPolarHBondContact O-CA 3.44Å; I7-A49 HydrophobicContact CD1-CB 4.06Å; I7-A49 HydrophobicContact CG1-CB 3.76Å; I7-A49 WeakPolarHBondContact CG1-O 3.34Å; I7-A49 PolarHBondContact N-O 3.46Å; I7-A49 PolarHBondContact O-N 2.56Å; I7-I51 HydrophobicContact CD1-CD1 4.03Å; I7-I51 HydrophobicContact CG2-CD1 4.17Å; I7-I75 HydrophobicContact CB-CG2 4.03Å; I7-I75 HydrophobicContact CG2-CG2 4.44Å; I7-E76 CarbonylContact C-O 3.55Å; I7-E76 VanDerWaalsContact CA-O 3.31Å; I7-E76 WeakPolarHBondContact CA-O 3.28Å; I7-V77 HydrophobicContact CG2-CB 4.46Å; I7-V77 HydrophobicContact CG2-CG1 4.14Å; I7-V77 HydrophobicContact CG2-CG2 4.11Å
8R93.1Very high88Confident125 Ų12554.6 Ų54.647%0.47229%0.285SS..EExtended strand (participates in β ladder)trans-130.1159176.3-175175.1-172.9-173.34109.9G47 E48 I75 E76 F78R8-G47 CarbonylContact C-O 3.6Å; R8-G47 WeakPolarHBondContact CA-O 3.34Å; R8-E48 HydrophobicContact CB-CG 4.17Å; R8-E48 WeakPolarHBondContact CD-OE1 3.39Å; R8-E48 HydrophobicContact CG-CG 3.92Å; R8-E48 IonicContact NE-OE1 2.75Å; R8-I75 WeakPolarHBondContact O-CA 3.39Å; R8-E76 HydrophobicContact CB-CB 4.38Å; R8-E76 PolarHBondContact N-O 3.41Å; R8-E76 PolarHBondContact O-N 3.26Å; R8-F78 HydrophobicContact CB-CE2 4.07Å
9G91.5Very high88.3Confident5 Ų551.8 Ų51.85%0.05227%0.27CS..  trans919.217800000113G47 R73 I75G9-G47 PolarHBondContact N-O 3.12Å; G9-R73 VanDerWaalsContact O-CB 3.23Å; G9-R73 WeakPolarHBondContact O-CB 2.84Å; G9-R73 VanDerWaalsContact O-CD 3.31Å; G9-R73 WeakPolarHBondContact O-CD 3.38Å; G9-R73 PolarHBondContact O-NE 3.14Å; G9-I75 WeakPolarHBondContact O-CD1 3.45Å
10L91.4Very high88.6Confident4 Ų452 Ų522%0.02127%0.271CS..  trans-55.9135.3176-70.9173.3000110.6I7 F12 A14 I19 F37 G47 A49 L70 R73 I75I7-L10 HydrophobicContact CD1-CD1 3.84Å; I7-L10 HydrophobicContact CD1-CD2 3.71Å; I7-L10 HydrophobicContact CD1-CG 3.96Å; I7-L10 HydrophobicContact CG1-CD1 4.11Å; I7-L10 HydrophobicContact CG1-CG 4.31Å; L10-F12 PolarHBondContact O-N 3.37Å; L10-A14 HydrophobicContact CB-CB 4.22Å; L10-A14 HydrophobicContact CD2-CB 4.13Å; L10-I19 HydrophobicContact CD1-CD1 3.94Å; L10-I19 HydrophobicContact CD2-CD1 4.27Å; L10-I19 HydrophobicContact CD2-CG1 4.08Å; L10-F37 HydrophobicContact CD1-CD1 4.48Å; L10-F37 HydrophobicContact CD1-CE1 4.04Å; L10-G47 PolarHBondContact N-O 2.82Å; L10-A49 HydrophobicContact CD1-CB 3.6Å; L10-L70 HydrophobicContact CD2-CD2 3.6Å; L10-R73 PolarHBondContact O-NH1 2.91Å; L10-I75 HydrophobicContact CD2-CD1 3.9Å; L10-I75 HydrophobicContact CG-CD1 4.43Å
11P86.9Confident88.8Confident24 Ų2453 Ų5316%0.15628%0.283CS..  trans-50.4139.1161.4-24.633.6000109.6S13 A14 L70 R73P11-S13 PolarHBondContact O-N 3.06Å; P11-A14 HydrophobicContact CB-CB 4.36Å; P11-A14 WeakPolarHBondContact O-CB 3.24Å; P11-A14 PolarHBondContact O-N 3.15Å; P11-L70 HydrophobicContact CG-CG 4.45Å; P11-L70 VanDerWaalsContact CG-O 3.23Å; P11-L70 WeakPolarHBondContact CG-O 3.47Å; P11-R73 HydrophobicContact CG-CB 4.37Å; P11-R73 HydrophobicContact CG-CG 4.39Å
12F83Confident90.6Very high118 Ų11843.6 Ų43.652%0.51824%0.236SC..THydrogen-bonded Turntrans-62.9-14.6179.1-62.3-45.1000113.4L10 S45L10-F12 PolarHBondContact O-N 3.37Å; F12-S45 WeakPolarHBondContact CD1-O 3.37Å
13S84.8Confident91.5Very high103 Ų10341.1 Ų41.172%0.7222%0.219SC*.THydrogen-bonded Turntrans-89.4-617358.80000114.3P11P11-S13 PolarHBondContact O-N 3.06Å
14A86.2Confident91.6Very high17 Ų1746 Ų4614%0.1424%0.242CC..  trans-66.6134.6-17500000111.2L10 P11 D18 L70L10-A14 HydrophobicContact CB-CB 4.22Å; L10-A14 HydrophobicContact CD2-CB 4.13Å; P11-A14 HydrophobicContact CB-CB 4.36Å; P11-A14 WeakPolarHBondContact O-CB 3.24Å; P11-A14 PolarHBondContact O-N 3.15Å; A14-D18 WeakPolarHBondContact CA-OD2 3.47Å; A14-L70 HydrophobicContact CB-CD2 4.06Å
15N88.9Confident91.6Very high65 Ų6549 Ų4935%0.34826%0.258SS..  trans-114.9-179178.364.637.5000111.3D17 D18 I19N15-D17 VanDerWaalsContact C-N 3.29Å; N15-D17 PolarHBondContact O-N 3.27Å; N15-D17 WeakPolarHBondContact OD1-CA 3.28Å; N15-D17 WeakPolarHBondContact OD1-CB 3.45Å; N15-D17 PolarHBondContact OD1-N 3.36Å; N15-D18 VanDerWaalsContact CG-OD2 3.26Å; N15-D18 PolarHBondContact N-OD2 3.3Å; N15-D18 PolarHBondContact ND2-OD2 3.37Å; N15-D18 PolarHBondContact O-N 2.98Å; N15-D18 VanDerWaalsContact OD1-CG 3.24Å; N15-D18 PolarHBondContact OD1-N 3.43Å; N15-D18 PolarHBondContact OD1-OD2 2.87Å; N15-I19 PolarHBondContact O-N 2.54Å
16A89.9Confident91.6Very high18 Ų1849.6 Ų49.615%0.14926%0.262CS..Hα-helixtrans-63.6-33179.600000112.8I19 I20 K32 I35 F37A16-I19 PolarHBondContact O-N 3.07Å; A16-I20 VanDerWaalsContact O-CG1 3.25Å; A16-I20 WeakPolarHBondContact O-CG1 3.46Å; A16-I20 PolarHBondContact O-N 2.93Å; A16-K32 HydrophobicContact CB-CB 4.2Å; A16-K32 HydrophobicContact CB-CD 4.46Å; A16-K32 HydrophobicContact CB-CG 4.11Å; A16-I35 HydrophobicContact CB-CD1 4.1Å; A16-I35 WeakPolarHBondContact O-CD1 3.49Å; A16-F37 HydrophobicContact CB-CE2 4.35Å
17D91.2Very high91.5Very high79 Ų7954.7 Ų54.742%0.42228%0.281SS..Hα-helixtrans-67.9-40.8177.6-66.4-77.1000111.9N15 I19 I20 S21 K32N15-D17 VanDerWaalsContact C-N 3.29Å; N15-D17 PolarHBondContact O-N 3.27Å; N15-D17 WeakPolarHBondContact OD1-CA 3.28Å; N15-D17 WeakPolarHBondContact OD1-CB 3.45Å; N15-D17 PolarHBondContact OD1-N 3.36Å; D17-I19 VanDerWaalsContact C-N 3.27Å; D17-I19 PolarHBondContact O-N 3.12Å; D17-I20 PolarHBondContact O-N 3.33Å; D17-S21 WeakPolarHBondContact O-CB 3.26Å; D17-S21 PolarHBondContact O-N 3.29Å; D17-S21 PolarHBondContact O-OG 3.13Å; D17-K32 WeakPolarHBondContact OD1-CE 3.41Å; D17-K32 IonicContact OD1-NZ 3.65Å; D17-K32 PolarHBondContact OD1-NZ 3.42Å; D17-K32 WeakPolarHBondContact OD2-CE 3.36Å; D17-K32 IonicContact OD2-NZ 2.54Å; D17-K32 PolarHBondContact OD2-NZ 2.98Å
18D92.6Very high91.4Very high55 Ų5555.4 Ų55.429%0.29429%0.285SS..Hα-helixtrans-60.3-40.5174.9-60.3-39.7000110.7A14 N15 S21 F22 L70A14-D18 WeakPolarHBondContact CA-OD2 3.47Å; N15-D18 VanDerWaalsContact CG-OD2 3.26Å; N15-D18 PolarHBondContact N-OD2 3.3Å; N15-D18 PolarHBondContact ND2-OD2 3.37Å; N15-D18 PolarHBondContact O-N 2.98Å; N15-D18 VanDerWaalsContact OD1-CG 3.24Å; N15-D18 PolarHBondContact OD1-N 3.43Å; N15-D18 PolarHBondContact OD1-OD2 2.87Å; D18-S21 WeakPolarHBondContact CA-OG 3.25Å; D18-S21 PolarHBondContact O-N 3.35Å; D18-S21 PolarHBondContact O-OG 3.43Å; D18-F22 WeakPolarHBondContact O-CB 3.28Å; D18-F22 PolarHBondContact O-N 2.89Å; D18-L70 HydrophobicContact CB-CD1 4.37Å; D18-L70 HydrophobicContact CB-CD2 4.37Å
19I93.8Very high91.2Very high1 Ų155.6 Ų55.61%0.00529%0.285CS..Hα-helixtrans-69.1-43.1177.4-67.7173000111.2I7 L10 N15 A16 D17 S21 F22 F23 I35 F37 A49 I51I7-I19 HydrophobicContact CD1-CD1 3.94Å; I7-I19 HydrophobicContact CD1-CG1 4.12Å; I7-I19 HydrophobicContact CD1-CG2 4.32Å; L10-I19 HydrophobicContact CD1-CD1 3.94Å; L10-I19 HydrophobicContact CD2-CD1 4.27Å; L10-I19 HydrophobicContact CD2-CG1 4.08Å; N15-I19 PolarHBondContact O-N 2.54Å; A16-I19 PolarHBondContact O-N 3.07Å; D17-I19 VanDerWaalsContact C-N 3.27Å; D17-I19 PolarHBondContact O-N 3.12Å; I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 3.44Å; I19-F22 PolarHBondContact O-N 3.35Å; I19-F23 HydrophobicContact CG2-CD2 3.8Å; I19-F23 HydrophobicContact CG2-CE2 4.13Å; I19-F23 WeakPolarHBondContact O-CD2 3.41Å; I19-F23 PolarHBondContact O-N 3.44Å; I19-I35 HydrophobicContact CB-CD1 4Å; I19-I35 HydrophobicContact CD1-CG2 3.69Å; I19-I35 HydrophobicContact CG2-CD1 3.73Å; I19-I35 HydrophobicContact CG2-CG1 4.3Å; I19-I35 HydrophobicContact CG2-CG2 4.33Å; I19-F37 HydrophobicContact CD1-CE1 3.58Å; I19-F37 HydrophobicContact CD1-CE2 4.39Å; I19-F37 HydrophobicContact CD1-CZ 3.39Å; I19-A49 HydrophobicContact CD1-CB 4Å; I19-I51 HydrophobicContact CG2-CD1 3.41Å; I19-I51 VanDerWaalsContact CG2-CD1 3.41Å; I19-I51 HydrophobicContact CG2-CG1 4.1Å
20I94Very high90.8Very high56 Ų5657.7 Ų57.729%0.28731%0.308SS..Hα-helixtrans-60.5-42.4175.8-69.5165.2000110.7A16 D17 F23 H24 I28 K32 I35A16-I20 VanDerWaalsContact O-CG1 3.25Å; A16-I20 WeakPolarHBondContact O-CG1 3.46Å; A16-I20 PolarHBondContact O-N 2.93Å; D17-I20 PolarHBondContact O-N 3.33Å; I20-F23 CarbonylContact O-C 3.35Å; I20-H24 PolarHBondContact O-N 2.96Å; I20-I28 HydrophobicContact CG1-CD1 4.04Å; I20-K32 HydrophobicContact CD1-CB 4.38Å; I20-K32 HydrophobicContact CD1-CG 3.47Å; I20-K32 VanDerWaalsContact CD1-CG 3.47Å; I20-I35 HydrophobicContact CD1-CD1 4.2Å; I20-I35 HydrophobicContact CG1-CD1 3.68Å
21S93.4Very high90.7Very high74 Ų7458.9 Ų58.952%0.51732%0.321SS..Hα-helixtrans-69.7-32.3178.264.60000113.1D17 D18 I19 H24D17-S21 WeakPolarHBondContact O-CB 3.26Å; D17-S21 PolarHBondContact O-N 3.29Å; D17-S21 PolarHBondContact O-OG 3.13Å; D18-S21 WeakPolarHBondContact CA-OG 3.25Å; D18-S21 PolarHBondContact O-N 3.35Å; D18-S21 PolarHBondContact O-OG 3.43Å; I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 3.44Å; S21-H24 WeakPolarHBondContact O-CB 3.46Å
22F94.7Very high90.6Very high18 Ų1863.1 Ų63.18%0.07934%0.337CS..Hα-helixtrans-67.2-48.7174.1-172.1-100.1000111.5D18 I19 H24 H65 Q68 L70 I75D18-F22 WeakPolarHBondContact O-CB 3.28Å; D18-F22 PolarHBondContact O-N 2.89Å; I19-F22 PolarHBondContact O-N 3.35Å; F22-H24 VanDerWaalsContact C-N 3.27Å; F22-H24 PolarHBondContact O-N 3.44Å; F22-H24 PolarHBondContact O-ND1 3.36Å; F22-H65 HydrophobicContact CD1-CB 4.48Å; F22-H65 HydrophobicContact CE1-CB 3.79Å; F22-H65 HydrophobicContact CZ-CB 4.32Å; F22-H65 PolarHBondContact O-CE1 3.05Å; F22-Q68 HydrophobicContact CE2-CB 3.81Å; F22-Q68 HydrophobicContact CZ-CB 3.6Å; F22-L70 HydrophobicContact CB-CD1 4.03Å; F22-L70 HydrophobicContact CD2-CB 4.1Å; F22-L70 HydrophobicContact CD2-CD1 3.9Å; F22-L70 HydrophobicContact CE2-CB 4.24Å; F22-L70 HydrophobicContact CG-CD1 4.28Å; F22-I75 HydrophobicContact CE1-CB 4Å; F22-I75 HydrophobicContact CE1-CG1 4.19Å; F22-I75 HydrophobicContact CE1-CG2 4.09Å; F22-I75 HydrophobicContact CE2-CG1 4.11Å; F22-I75 HydrophobicContact CZ-CB 3.71Å; F22-I75 HydrophobicContact CZ-CG1 3.77Å; F22-I75 HydrophobicContact CZ-CG2 4.32Å
23F95.1Very high90.7Very high3 Ų367.4 Ų67.41%0.01335%0.349CS..THydrogen-bonded Turntrans-91.144.8176.9-64-74.5000112.4I7 I19 I20 D25 C26 I51 A62 H65 V77I7-F23 HydrophobicContact CD1-CE2 4.06Å; I7-F23 HydrophobicContact CG2-CE2 4Å; I7-F23 HydrophobicContact CG2-CZ 3.7Å; I19-F23 HydrophobicContact CG2-CD2 3.8Å; I19-F23 HydrophobicContact CG2-CE2 4.13Å; I19-F23 WeakPolarHBondContact O-CD2 3.41Å; I19-F23 PolarHBondContact O-N 3.44Å; I20-F23 CarbonylContact O-C 3.35Å; F23-D25 PolarHBondContact O-N 3.48Å; F23-C26 HydrophobicContact CB-CB 4.12Å; F23-C26 PolarHBondContact O-N 3.25Å; F23-C26 VanDerWaalsContact O-N 3.09Å; F23-I51 HydrophobicContact CD2-CD1 3.5Å; F23-I51 HydrophobicContact CE2-CD1 3.36Å; F23-I51 HydrophobicContact CG-CD1 4.4Å; F23-I51 HydrophobicContact CZ-CD1 4.14Å; F23-A62 HydrophobicContact CD1-CB 3.95Å; F23-A62 HydrophobicContact CE1-CB 3.95Å; F23-H65 HydrophobicContact CD1-CB 4.18Å; F23-H65 AromaticContact CD1-CD2 3.92Å; F23-H65 HydrophobicContact CE1-CB 3.75Å; F23-V77 HydrophobicContact CE1-CG2 4.03Å; F23-V77 HydrophobicContact CZ-CG2 3.82Å
24H93.4Very high90.8Very high145 Ų14562.5 Ų62.567%0.67132%0.315SS*.THydrogen-bonded Turntrans-62.5-21.9-17463.5-74.7000114.7I20 S21 F22I20-H24 PolarHBondContact O-N 2.96Å; S21-H24 WeakPolarHBondContact O-CB 3.46Å; F22-H24 VanDerWaalsContact C-N 3.27Å; F22-H24 PolarHBondContact O-N 3.44Å; F22-H24 PolarHBondContact O-ND1 3.36Å
25D94.5Very high91Very high64 Ų6462.4 Ų62.434%0.34231%0.312SS..THydrogen-bonded Turntrans-93.2-3.6179.170.4-21.3000113.4F23 K61 H65F23-D25 PolarHBondContact O-N 3.48Å; D25-K61 WeakPolarHBondContact O-CD 3.46Å; D25-H65 VanDerWaalsContact CG-NE2 3.33Å; D25-H65 IonicContact OD1-CD2 3.98Å; D25-H65 IonicContact OD1-CE1 3.88Å; D25-H65 IonicContact OD1-NE2 2.89Å; D25-H65 PolarHBondContact OD1-NE2 3.3Å; D25-H65 IonicContact OD2-NE2 3.43Å; D25-H65 PolarHBondContact OD2-NE2 2.64Å
26C94.5Very high91Very high12 Ų1262.3 Ų62.38%0.08131%0.308CS..SBendtrans-106.3138.1-178.3-60.30000111.5F23 I28 L53 D58 K61 A62F23-C26 HydrophobicContact CB-CB 4.12Å; F23-C26 PolarHBondContact O-N 3.25Å; F23-C26 VanDerWaalsContact O-N 3.09Å; C26-I28 PolarHBondContact O-N 3.33Å; C26-L53 HydrophobicContact CB-CD2 4.08Å; C26-D58 HydrophobicContact CB-CB 4.45Å; C26-D58 PolarHBondContact SG-O 3.26Å; C26-K61 VanDerWaalsContact SG-CB 3.53Å; C26-A62 PolarHBondContact SG-N 3.42Å
27R93.7Very high90.9Very high161 Ų16164.4 Ų64.461%0.60831%0.313SS*.  trans-84.6105.6169.3-75-177.7-92.2-151.3-6.3111.7L53 E54 D58R27-L53 WeakPolarHBondContact O-CA 3.29Å; R27-E54 HydrophobicContact CB-CB 4.16Å; R27-E54 HydrophobicContact CB-CG 4.11Å; R27-E54 PolarHBondContact O-N 3.02Å; R27-D58 PolarHBondContact N-OD1 2.95Å
28I92.7Very high90.3Very high17 Ų1761.3 Ų61.39%0.08730%0.297CS..BIsolated β-bridgetrans-81.9125174.1-56.6179.8000109.7I20 C26 G30 G31 I35 I51 E52 L53I20-I28 HydrophobicContact CG1-CD1 4.04Å; C26-I28 PolarHBondContact O-N 3.33Å; I28-G30 PolarHBondContact O-N 3.38Å; I28-G30 VanDerWaalsContact O-N 3.09Å; I28-G31 WeakPolarHBondContact CG2-O 3.48Å; I28-G31 PolarHBondContact O-N 2.78Å; I28-I35 HydrophobicContact CD1-CD1 3.99Å; I28-I35 HydrophobicContact CD1-CG1 4.26Å; I28-I35 HydrophobicContact CG2-CG1 4.06Å; I28-I51 HydrophobicContact CB-CG2 4.31Å; I28-I51 HydrophobicContact CD1-CG2 3.83Å; I28-I51 HydrophobicContact CG1-CG2 3.77Å; I28-I51 HydrophobicContact CG2-CG2 3.73Å; I28-E52 CarbonylContact C-O 3.59Å; I28-E52 WeakPolarHBondContact CA-O 3.37Å; I28-E52 WeakPolarHBondContact CG2-O 3.45Å; I28-L53 HydrophobicContact CG1-CD2 4.03Å
29R89.3Confident89.2Confident128 Ų12865.7 Ų65.748%0.48332%0.316SS..THydrogen-bonded Turntrans-62.5111.7-176.3-168.3-177.2-173.6-174.24.8110.6G31 G34 E52 E54R29-G31 VanDerWaalsContact C-N 3.28Å; R29-G31 PolarHBondContact O-N 3.4Å; R29-G34 WeakPolarHBondContact O-CA 3.4Å; R29-G34 PolarHBondContact O-N 2.96Å; R29-E52 HydrophobicContact CB-CB 4.07Å; R29-E52 WeakPolarHBondContact CD-OE2 3.49Å; R29-E52 PolarHBondContact N-O 3.28Å; R29-E52 IonicContact NH1-OE2 2.84Å; R29-E52 PolarHBondContact NH1-OE2 2.82Å; R29-E54 HydrophobicContact CB-CG 4.12Å; R29-E54 HydrophobicContact CG-CG 4.44Å
30G83.9Confident87.5Confident50 Ų5066.3 Ų66.352%0.51532%0.323SS..THydrogen-bonded Turntrans72.317.7-176.700000114.6I28 K32 R33I28-G30 PolarHBondContact O-N 3.38Å; I28-G30 VanDerWaalsContact O-N 3.09Å; G30-K32 PolarHBondContact O-N 3.09Å; G30-R33 WeakPolarHBondContact O-CB 3.4Å; G30-R33 PolarHBondContact O-N 3.18Å
31G88.2Confident85.5Confident29 Ų2970.5 Ų70.530%0.29936%0.358SS..G310 helixtrans59.8-123.8178.400000112I28 R29 R33 G34I28-G31 WeakPolarHBondContact CG2-O 3.48Å; I28-G31 PolarHBondContact O-N 2.78Å; R29-G31 VanDerWaalsContact C-N 3.28Å; R29-G31 PolarHBondContact O-N 3.4Å; G31-R33 PolarHBondContact O-N 3.33Å; G31-G34 PolarHBondContact O-N 3.06Å
32K85.8Confident83.5Confident112 Ų11272.2 Ų72.249%0.48736%0.361SS..G310 helixtrans-55-29179.2-62.8-174.4-171.1-161.80113.5A16 D17 I20 G30 G34 I35A16-K32 HydrophobicContact CB-CB 4.2Å; A16-K32 HydrophobicContact CB-CD 4.46Å; A16-K32 HydrophobicContact CB-CG 4.11Å; D17-K32 WeakPolarHBondContact OD1-CE 3.41Å; D17-K32 IonicContact OD1-NZ 3.65Å; D17-K32 PolarHBondContact OD1-NZ 3.42Å; D17-K32 WeakPolarHBondContact OD2-CE 3.36Å; D17-K32 IonicContact OD2-NZ 2.54Å; D17-K32 PolarHBondContact OD2-NZ 2.98Å; I20-K32 HydrophobicContact CD1-CB 4.38Å; I20-K32 HydrophobicContact CD1-CG 3.47Å; I20-K32 VanDerWaalsContact CD1-CG 3.47Å; G30-K32 PolarHBondContact O-N 3.09Å; K32-G34 VanDerWaalsContact C-N 3.28Å; K32-G34 PolarHBondContact O-N 3.33Å; K32-I35 PolarHBondContact O-N 3.25Å
33R83.8Confident81.7Confident208 Ų20873.4 Ų73.479%0.78538%0.378SS*.G310 helixtrans-71.8-21.6-179.6-71.1176.144.8-168-11.5113.7G30 G31 Y36G30-R33 WeakPolarHBondContact O-CB 3.4Å; G30-R33 PolarHBondContact O-N 3.18Å; G31-R33 PolarHBondContact O-N 3.33Å; R33-Y36 PolarHBondContact O-OH 3.36Å
34G87.2Confident79.9Confident1 Ų177.9 Ų77.91%0.0140%0.395CS..G310 helixtrans-843.5175.600000113.2R29 G31 K32 Y36 I51 E52R29-G34 WeakPolarHBondContact O-CA 3.4Å; R29-G34 PolarHBondContact O-N 2.96Å; G31-G34 PolarHBondContact O-N 3.06Å; K32-G34 VanDerWaalsContact C-N 3.28Å; K32-G34 PolarHBondContact O-N 3.33Å; G34-Y36 VanDerWaalsContact C-CE2 3.48Å; G34-Y36 WeakPolarHBondContact O-CD2 3.48Å; G34-Y36 WeakPolarHBondContact O-CE2 3.39Å; G34-I51 CarbonylContact O-C 3.5Å; G34-I51 WeakPolarHBondContact O-CA 3.33Å; G34-E52 PolarHBondContact O-N 3.26Å
35I90.9Very high78.6Confident14 Ų1473.4 Ų73.47%0.07238%0.38CS..EExtended strand (participates in β ladder)trans-109.7122-178.7-56.8172.3000108.8A16 I19 I20 I28 K32 F37 F50 I51A16-I35 HydrophobicContact CB-CD1 4.1Å; A16-I35 WeakPolarHBondContact O-CD1 3.49Å; I19-I35 HydrophobicContact CB-CD1 4Å; I19-I35 HydrophobicContact CD1-CG2 3.69Å; I19-I35 HydrophobicContact CG2-CD1 3.73Å; I19-I35 HydrophobicContact CG2-CG1 4.3Å; I19-I35 HydrophobicContact CG2-CG2 4.33Å; I20-I35 HydrophobicContact CD1-CD1 4.2Å; I20-I35 HydrophobicContact CG1-CD1 3.68Å; I28-I35 HydrophobicContact CD1-CD1 3.99Å; I28-I35 HydrophobicContact CD1-CG1 4.26Å; I28-I35 HydrophobicContact CG2-CG1 4.06Å; K32-I35 PolarHBondContact O-N 3.25Å; I35-F37 HydrophobicContact CG2-CD2 4.24Å; I35-F37 HydrophobicContact CG2-CE2 3.59Å; I35-F37 HydrophobicContact CG2-CZ 3.89Å; I35-F50 WeakPolarHBondContact CA-O 3.36Å; I35-I51 HydrophobicContact CG1-CG2 4.46Å
36Y88.6Confident77.5Confident64 Ų6474.7 Ų74.725%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-119127.8-172.9-59.8-91.6000109.1R33 G34 P38 A49 F50 E52 L85 M89R33-Y36 PolarHBondContact O-OH 3.36Å; G34-Y36 VanDerWaalsContact C-CE2 3.48Å; G34-Y36 WeakPolarHBondContact O-CD2 3.48Å; G34-Y36 WeakPolarHBondContact O-CE2 3.39Å; Y36-P38 VanDerWaalsContact O-CD 3.31Å; Y36-P38 WeakPolarHBondContact O-CD 3.18Å; Y36-A49 CarbonylContact O-C 3.58Å; Y36-A49 WeakPolarHBondContact O-CA 3.33Å; Y36-A49 VanDerWaalsContact O-CB 3.31Å; Y36-A49 WeakPolarHBondContact O-CB 3.18Å; Y36-F50 PolarHBondContact N-O 3.09Å; Y36-F50 PolarHBondContact O-N 2.94Å; Y36-E52 HydrophobicContact CE2-CB 4.35Å; Y36-E52 HydrophobicContact CE2-CG 3.81Å; Y36-E52 PolarHBondContact OH-OE1 2.74Å; Y36-L85 HydrophobicContact CD1-CD1 4.18Å; Y36-L85 HydrophobicContact CD2-CD1 3.62Å; Y36-L85 HydrophobicContact CD2-CD2 4.11Å; Y36-L85 HydrophobicContact CE2-CD1 4.33Å; Y36-L85 HydrophobicContact CE2-CD2 4.03Å; Y36-L85 HydrophobicContact CG-CD1 3.55Å; Y36-M89 HydrophobicContact CD1-CE 4.12Å; Y36-M89 HydrophobicContact CD1-CG 4.26Å; Y36-M89 HydrophobicContact CD1-SD 4.19Å; Y36-M89 HydrophobicContact CG-SD 4.41Å
37F87Confident77.1Confident61 Ų6174.3 Ų74.327%0.26838%0.384SS..  trans-110.995.8177.3-65.3-91.1000108.9L10 A16 I19 I35 Q39 A49L10-F37 HydrophobicContact CD1-CD1 4.48Å; L10-F37 HydrophobicContact CD1-CE1 4.04Å; A16-F37 HydrophobicContact CB-CE2 4.35Å; I19-F37 HydrophobicContact CD1-CE1 3.58Å; I19-F37 HydrophobicContact CD1-CE2 4.39Å; I19-F37 HydrophobicContact CD1-CZ 3.39Å; I35-F37 HydrophobicContact CG2-CD2 4.24Å; I35-F37 HydrophobicContact CG2-CE2 3.59Å; I35-F37 HydrophobicContact CG2-CZ 3.89Å; F37-Q39 PolarHBondContact O-N 3.43Å; F37-A49 HydrophobicContact CD1-CB 3.85Å; F37-A49 HydrophobicContact CE1-CB 4Å; F37-A49 HydrophobicContact CG-CB 4.43Å
38P78.5Confident76.9Confident14 Ų1468.8 Ų68.89%0.09137%0.366CS..PPolyproline II helixtrans-54.1122.9171.6-22.931.6000109.9Y36 F50 A88Y36-P38 VanDerWaalsContact O-CD 3.31Å; Y36-P38 WeakPolarHBondContact O-CD 3.18Å; P38-F50 HydrophobicContact CG-CD2 3.55Å; P38-F50 HydrophobicContact CG-CE2 3.63Å; P38-A88 HydrophobicContact CB-CB 4.31Å; P38-A88 HydrophobicContact CG-CB 3.86Å
39Q69.5Low76.9Confident147 Ų14768 Ų6869%0.68736%0.361SS*.BIsolated β-bridgetrans-88.2131.8173.7-65.5-174.310.900108.5F37F37-Q39 PolarHBondContact O-N 3.43Å
40G59Low77.1Confident15 Ų1562.2 Ų62.216%0.15534%0.34CS..PPolyproline II helixtrans-61.9169.5169.900000111.3N42 G43 R44G40-N42 PolarHBondContact O-N 2.92Å; G40-G43 PolarHBondContact O-N 3.47Å; G40-R44 PolarHBondContact N-O 3.14Å; G40-R44 VanDerWaalsContact N-O 3.09Å
41S51.2Low77.6Confident144 Ų14459.8 Ų59.8100%1.00732%0.315SS*.THydrogen-bonded Turntrans-55.5-13.1177.154.60000115
42N51.8Low77.9Confident109 Ų10959.9 Ų59.958%0.58331%0.308SS*.THydrogen-bonded Turntrans-104.58.4177.862.52.2000113.9G40 R44G40-N42 PolarHBondContact O-N 2.92Å; N42-R44 PolarHBondContact O-N 2.79Å; N42-R44 WeakPolarHBondContact OD1-CB 3.25Å; N42-R44 PolarHBondContact OD1-N 3.01Å
43G56.8Low78.3Confident43 Ų4354.7 Ų54.744%0.44329%0.286SS..SBendtrans732.4-175.100000114.6G40G40-G43 PolarHBondContact O-N 3.47Å
44R58.1Low78.7Confident98 Ų9850 Ų5037%0.3727%0.272SS..  trans-87.6137.4-176.8-145.8-179.3-163.3107.411.8110.3G40 N42 N46 Y364G40-R44 PolarHBondContact N-O 3.14Å; G40-R44 VanDerWaalsContact N-O 3.09Å; N42-R44 PolarHBondContact O-N 2.79Å; N42-R44 WeakPolarHBondContact OD1-CB 3.25Å; N42-R44 PolarHBondContact OD1-N 3.01Å; R44-N46 PolarHBondContact O-N 2.8Å; R44-Y364 PolarHBondContact NH2-OH 3.4Å
45S66Low79Confident51 Ų5151.7 Ų51.736%0.35728%0.284SS..BIsolated β-bridgetrans-64.8118.2172.5-31.90000109.3F12 G47F12-S45 WeakPolarHBondContact CD1-O 3.37Å; S45-G47 PolarHBondContact O-N 3.41Å
46N71.8Confident79.1Confident91 Ų9157.6 Ų57.649%0.48731%0.309SS..  trans-759.9-179.2-74.2-24.8000113.7R44R44-N46 PolarHBondContact O-N 2.8Å
47G85.2Confident79.4Confident3 Ų358.4 Ų58.43%0.03132%0.318CS..SBendtrans70.524.7-17100000112.4R8 G9 L10 S45R8-G47 CarbonylContact C-O 3.6Å; R8-G47 WeakPolarHBondContact CA-O 3.34Å; G9-G47 PolarHBondContact N-O 3.12Å; L10-G47 PolarHBondContact N-O 2.82Å; S45-G47 PolarHBondContact O-N 3.41Å
48E90.3Very high79.9Confident45 Ų4555.6 Ų55.621%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-121.6147.6177.5-63.8-173.114700110.4R6 I7 R8R6-E48 IonicContact NH1-OE1 3.6Å; R6-E48 PolarHBondContact NH1-OE1 3.36Å; I7-E48 CarbonylContact O-C 3.59Å; I7-E48 WeakPolarHBondContact O-CA 3.44Å; R8-E48 HydrophobicContact CB-CG 4.17Å; R8-E48 WeakPolarHBondContact CD-OE1 3.39Å; R8-E48 HydrophobicContact CG-CG 3.92Å; R8-E48 IonicContact NE-OE1 2.75Å
49A92.4Very high80.6Confident0 Ų056.7 Ų56.70%031%0.309CS..EExtended strand (participates in β ladder)trans-146.9160.6169.400000110.1I7 L10 I19 Y36 F37I7-A49 HydrophobicContact CD1-CB 4.06Å; I7-A49 HydrophobicContact CG1-CB 3.76Å; I7-A49 WeakPolarHBondContact CG1-O 3.34Å; I7-A49 PolarHBondContact N-O 3.46Å; I7-A49 PolarHBondContact O-N 2.56Å; L10-A49 HydrophobicContact CD1-CB 3.6Å; I19-A49 HydrophobicContact CD1-CB 4Å; Y36-A49 CarbonylContact O-C 3.58Å; Y36-A49 WeakPolarHBondContact O-CA 3.33Å; Y36-A49 VanDerWaalsContact O-CB 3.31Å; Y36-A49 WeakPolarHBondContact O-CB 3.18Å; F37-A49 HydrophobicContact CD1-CB 3.85Å; F37-A49 HydrophobicContact CE1-CB 4Å; F37-A49 HydrophobicContact CG-CB 4.43Å
50F93.7Very high81.8Confident7 Ų755.3 Ų55.33%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-118142.7171.5-71.8-102.9000109.1V4 V5 R6 I35 Y36 P38 D84 L85 A88V4-F50 HydrophobicContact CG1-CB 4.4Å; V4-F50 HydrophobicContact CG1-CD1 3.94Å; V5-F50 CarbonylContact O-C 3.51Å; V5-F50 WeakPolarHBondContact O-CA 3.49Å; R6-F50 HydrophobicContact CB-CD1 3.84Å; R6-F50 HydrophobicContact CB-CE1 3.62Å; R6-F50 HydrophobicContact CB-CG 4.49Å; R6-F50 HydrophobicContact CB-CZ 4.08Å; R6-F50 HydrophobicContact CG-CD1 4.11Å; R6-F50 HydrophobicContact CG-CD2 4.34Å; R6-F50 HydrophobicContact CG-CE1 3.68Å; R6-F50 HydrophobicContact CG-CE2 3.9Å; R6-F50 HydrophobicContact CG-CG 4.44Å; R6-F50 HydrophobicContact CG-CZ 3.58Å; I35-F50 WeakPolarHBondContact CA-O 3.36Å; Y36-F50 PolarHBondContact N-O 3.09Å; Y36-F50 PolarHBondContact O-N 2.94Å; P38-F50 HydrophobicContact CG-CD2 3.55Å; P38-F50 HydrophobicContact CG-CE2 3.63Å; F50-D84 HydrophobicContact CE1-CB 3.89Å; F50-D84 HydrophobicContact CZ-CB 4.49Å; F50-L85 HydrophobicContact CB-CB 4.5Å; F50-L85 HydrophobicContact CB-CD1 3.38Å; F50-L85 HydrophobicContact CB-CG 4.46Å; F50-L85 HydrophobicContact CD1-CB 4.04Å; F50-L85 HydrophobicContact CD1-CD1 4.36Å; F50-L85 HydrophobicContact CD2-CD1 4.48Å; F50-L85 HydrophobicContact CG-CB 4.4Å; F50-L85 HydrophobicContact CG-CD1 3.87Å; F50-A88 HydrophobicContact CD2-CB 4.01Å; F50-A88 HydrophobicContact CE1-CB 4.47Å; F50-A88 HydrophobicContact CE2-CB 3.19Å; F50-A88 HydrophobicContact CZ-CB 3.46Å; F50-A88 VanDerWaalsContact CZ-CB 3.46Å
51I94.2Very high83.6Confident0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans-126.9122.2-177.4-52.8171.9000108.7V4 V5 I7 I19 F23 I28 G34 I35 L53V4-I51 WeakPolarHBondContact CA-O 3.35Å; V5-I51 HydrophobicContact CG2-CB 3.8Å; V5-I51 HydrophobicContact CG2-CD1 4.24Å; V5-I51 HydrophobicContact CG2-CG1 4.36Å; V5-I51 PolarHBondContact N-O 2.82Å; V5-I51 PolarHBondContact O-N 3.5Å; I7-I51 HydrophobicContact CD1-CD1 4.03Å; I7-I51 HydrophobicContact CG2-CD1 4.17Å; I19-I51 HydrophobicContact CG2-CD1 3.41Å; I19-I51 VanDerWaalsContact CG2-CD1 3.41Å; I19-I51 HydrophobicContact CG2-CG1 4.1Å; F23-I51 HydrophobicContact CD2-CD1 3.5Å; F23-I51 HydrophobicContact CE2-CD1 3.36Å; F23-I51 HydrophobicContact CG-CD1 4.4Å; F23-I51 HydrophobicContact CZ-CD1 4.14Å; I28-I51 HydrophobicContact CB-CG2 4.31Å; I28-I51 HydrophobicContact CD1-CG2 3.83Å; I28-I51 HydrophobicContact CG1-CG2 3.77Å; I28-I51 HydrophobicContact CG2-CG2 3.73Å; G34-I51 CarbonylContact O-C 3.5Å; G34-I51 WeakPolarHBondContact O-CA 3.33Å; I35-I51 HydrophobicContact CG1-CG2 4.46Å; I51-L53 HydrophobicContact CG2-CD2 3.88Å; I51-L53 HydrophobicContact CG2-CG 4.31Å
52E93.5Very high85.7Confident30 Ų3050.9 Ų50.914%0.1426%0.261CS..EExtended strand (participates in β ladder)trans-82.9125.6167.1-77.4-169-16200110.5V4 I28 R29 G34 Y36 L85V4-E52 HydrophobicContact CG2-CG 4.21Å; I28-E52 CarbonylContact C-O 3.59Å; I28-E52 WeakPolarHBondContact CA-O 3.37Å; I28-E52 WeakPolarHBondContact CG2-O 3.45Å; R29-E52 HydrophobicContact CB-CB 4.07Å; R29-E52 WeakPolarHBondContact CD-OE2 3.49Å; R29-E52 PolarHBondContact N-O 3.28Å; R29-E52 IonicContact NH1-OE2 2.84Å; R29-E52 PolarHBondContact NH1-OE2 2.82Å; G34-E52 PolarHBondContact O-N 3.26Å; Y36-E52 HydrophobicContact CE2-CB 4.35Å; Y36-E52 HydrophobicContact CE2-CG 3.81Å; Y36-E52 PolarHBondContact OH-OE1 2.74Å; E52-L85 HydrophobicContact CG-CD2 3.87Å; E52-L85 WeakPolarHBondContact OE1-CD2 3.33Å
53L94.6Very high87.8Confident4 Ų448.9 Ų48.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-110.5151-178.8-60.5169.4000110.3F3 V5 C26 R27 I28 I51 D58 K59 A62F3-L53 HydrophobicContact CB-CB 4.09Å; F3-L53 PolarHBondContact O-N 2.71Å; V5-L53 HydrophobicContact CG1-CD1 3.95Å; V5-L53 HydrophobicContact CG2-CD1 4.07Å; C26-L53 HydrophobicContact CB-CD2 4.08Å; R27-L53 WeakPolarHBondContact O-CA 3.29Å; I28-L53 HydrophobicContact CG1-CD2 4.03Å; I51-L53 HydrophobicContact CG2-CD2 3.88Å; I51-L53 HydrophobicContact CG2-CG 4.31Å; L53-D58 HydrophobicContact CB-CB 4.11Å; L53-D58 HydrophobicContact CD2-CB 4.45Å; L53-K59 VanDerWaalsContact CD1-CA 3.44Å; L53-K59 HydrophobicContact CD1-CB 3.98Å; L53-K59 HydrophobicContact CD1-CG 4.49Å; L53-A62 HydrophobicContact CD1-CB 3.72Å
54E93.3Very high89.6Confident108 Ų10850.3 Ų50.351%0.50526%0.257SS..SBendtrans-73.8-32.6-176.6-67.4-165.4158.300113.1R27 R29R27-E54 HydrophobicContact CB-CB 4.16Å; R27-E54 HydrophobicContact CB-CG 4.11Å; R27-E54 PolarHBondContact O-N 3.02Å; R29-E54 HydrophobicContact CB-CG 4.12Å; R29-E54 HydrophobicContact CG-CG 4.44Å
55S93.6Very high91.3Very high37 Ų3746.1 Ų46.126%0.25924%0.241SC..SBendtrans-139.8164.9-174.980.30000114.2F3 D57 D58 K59F3-S55 VanDerWaalsContact CD2-CA 3.44Å; S55-D57 PolarHBondContact O-N 3.27Å; S55-D57 PolarHBondContact OG-N 2.81Å; S55-D58 WeakPolarHBondContact CB-OD2 3.39Å; S55-D58 PolarHBondContact N-OD2 2.86Å; S55-D58 PolarHBondContact O-N 2.97Å; S55-D58 VanDerWaalsContact OG-CG 3.27Å; S55-D58 PolarHBondContact OG-N 3.43Å; S55-D58 VanDerWaalsContact OG-N 3.14Å; S55-D58 PolarHBondContact OG-OD2 3.19Å; S55-K59 PolarHBondContact O-N 3.16Å; S55-K59 VanDerWaalsContact O-N 3.15Å
56K93.2Very high92.7Very high139 Ų13947.2 Ų47.260%0.60424%0.241SC*.Hα-helixtrans-62.8-32.7172.5-169.8179.2175.1-177.40112.2F3 K59 Q60F3-K56 HydrophobicContact CD1-CB 3.99Å; F3-K56 HydrophobicContact CD1-CG 4.49Å; F3-K56 HydrophobicContact CE1-CB 3.5Å; F3-K56 VanDerWaalsContact CE1-CB 3.5Å; F3-K56 HydrophobicContact CE1-CG 4.12Å; F3-K56 HydrophobicContact CZ-CB 3.9Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.48Å; K56-Q60 PolarHBondContact O-N 2.88Å; K56-Q60 VanDerWaalsContact O-N 3.1Å
57D94.9Very high93.7Very high80 Ų8047 Ų4743%0.42824%0.24SC..Hα-helixtrans-66.6-45.4177.1-179.172.1000110.6S55 K59 Q60 K61S55-D57 PolarHBondContact O-N 3.27Å; S55-D57 PolarHBondContact OG-N 2.81Å; D57-K59 PolarHBondContact O-N 2.83Å; D57-Q60 PolarHBondContact O-N 3.19Å; D57-K61 PolarHBondContact O-N 3.46Å; D57-K61 WeakPolarHBondContact OD2-CE 3.31Å; D57-K61 IonicContact OD2-NZ 2.71Å; D57-K61 PolarHBondContact OD2-NZ 2.91Å
58D95.6Very high94.1Very high2 Ų251 Ų511%0.01126%0.257CS..Hα-helixtrans-60.6-36174.4-61.5-61.5000111.5C26 R27 L53 S55 K61 A62C26-D58 HydrophobicContact CB-CB 4.45Å; C26-D58 PolarHBondContact SG-O 3.26Å; R27-D58 PolarHBondContact N-OD1 2.95Å; L53-D58 HydrophobicContact CB-CB 4.11Å; L53-D58 HydrophobicContact CD2-CB 4.45Å; S55-D58 WeakPolarHBondContact CB-OD2 3.39Å; S55-D58 PolarHBondContact N-OD2 2.86Å; S55-D58 PolarHBondContact O-N 2.97Å; S55-D58 VanDerWaalsContact OG-CG 3.27Å; S55-D58 PolarHBondContact OG-N 3.43Å; S55-D58 VanDerWaalsContact OG-N 3.14Å; S55-D58 PolarHBondContact OG-OD2 3.19Å; D58-K61 PolarHBondContact O-N 3.41Å; D58-A62 WeakPolarHBondContact O-CB 3.35Å; D58-A62 PolarHBondContact O-N 3.21Å
59K94.9Very high94.2Very high37 Ų3754.8 Ų54.816%0.16128%0.275CS..Hα-helixtrans-63.5-42.4173.4-176.1178174.6-177.50112.5F3 V5 L53 S55 K56 D57 A62 M63 D79F3-K59 HydrophobicContact CB-CB 4.2Å; F3-K59 HydrophobicContact CB-CD 4.21Å; F3-K59 HydrophobicContact CD1-CD 4.33Å; V5-K59 HydrophobicContact CG1-CG 3.94Å; L53-K59 VanDerWaalsContact CD1-CA 3.44Å; L53-K59 HydrophobicContact CD1-CB 3.98Å; L53-K59 HydrophobicContact CD1-CG 4.49Å; S55-K59 PolarHBondContact O-N 3.16Å; S55-K59 VanDerWaalsContact O-N 3.15Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.48Å; D57-K59 PolarHBondContact O-N 2.83Å; K59-A62 PolarHBondContact O-N 3.33Å; K59-M63 VanDerWaalsContact O-CG 3.24Å; K59-M63 WeakPolarHBondContact O-CG 3.21Å; K59-M63 PolarHBondContact O-N 2.89Å; K59-D79 WeakPolarHBondContact CE-OD1 3.28Å; K59-D79 WeakPolarHBondContact CE-OD2 3.23Å; K59-D79 IonicContact NZ-OD1 3.84Å; K59-D79 PolarHBondContact NZ-OD1 3.46Å; K59-D79 IonicContact NZ-OD2 3.98Å; K59-D79 PolarHBondContact NZ-OD2 3.26Å
60Q94.8Very high94Very high118 Ų11855.9 Ų55.955%0.55128%0.281SS*.Hα-helixtrans-65.5-40.1177-71.8177.9-16.600111.8K56 D57 M63 A64K56-Q60 PolarHBondContact O-N 2.88Å; K56-Q60 VanDerWaalsContact O-N 3.1Å; D57-Q60 PolarHBondContact O-N 3.19Å; Q60-M63 PolarHBondContact O-N 2.79Å; Q60-A64 PolarHBondContact O-N 2.88Å; Q60-A64 VanDerWaalsContact O-N 3.12Å
61K95.7Very high93.7Very high66 Ų6658.8 Ų58.829%0.28731%0.312SS..Hα-helixtrans-60.5-47.6172-69.7172.6179.5156.50111.8D25 C26 D57 D58 M63 A64 H65D25-K61 WeakPolarHBondContact O-CD 3.46Å; C26-K61 VanDerWaalsContact SG-CB 3.53Å; D57-K61 PolarHBondContact O-N 3.46Å; D57-K61 WeakPolarHBondContact OD2-CE 3.31Å; D57-K61 IonicContact OD2-NZ 2.71Å; D57-K61 PolarHBondContact OD2-NZ 2.91Å; D58-K61 PolarHBondContact O-N 3.41Å; K61-M63 VanDerWaalsContact C-N 3.28Å; K61-M63 PolarHBondContact O-N 2.94Å; K61-A64 WeakPolarHBondContact O-CA 3.47Å; K61-A64 VanDerWaalsContact O-CB 3.28Å; K61-A64 WeakPolarHBondContact O-CB 3.34Å; K61-A64 PolarHBondContact O-N 2.97Å; K61-H65 PolarHBondContact O-CD2 3.45Å; K61-H65 PolarHBondContact O-N 3.2Å
62A95.7Very high93.4Very high1 Ų170.4 Ų70.41%0.00836%0.357CS..Hα-helixtrans-58.8-4117700000111.8V5 F23 C26 L53 D58 K59 A64 H65V5-A62 HydrophobicContact CG1-CB 4.11Å; V5-A62 HydrophobicContact CG2-CB 4.22Å; F23-A62 HydrophobicContact CD1-CB 3.95Å; F23-A62 HydrophobicContact CE1-CB 3.95Å; C26-A62 PolarHBondContact SG-N 3.42Å; L53-A62 HydrophobicContact CD1-CB 3.72Å; D58-A62 WeakPolarHBondContact O-CB 3.35Å; D58-A62 PolarHBondContact O-N 3.21Å; K59-A62 PolarHBondContact O-N 3.33Å; A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 2.85Å; A62-H65 WeakPolarHBondContact O-CB 3.46Å; A62-H65 PolarHBondContact O-N 3.33Å; A62-H65 VanDerWaalsContact O-N 3.13Å
63M95.1Very high93.3Very high66 Ų6673.8 Ų73.833%0.32537%0.368SS..Hα-helixtrans-63.3-29.7174.8-67.7-58.6-65.900112.9V5 K59 Q60 K61 H65 H66 V77 D79V5-M63 HydrophobicContact CG1-SD 4.23Å; K59-M63 VanDerWaalsContact O-CG 3.24Å; K59-M63 WeakPolarHBondContact O-CG 3.21Å; K59-M63 PolarHBondContact O-N 2.89Å; Q60-M63 PolarHBondContact O-N 2.79Å; K61-M63 VanDerWaalsContact C-N 3.28Å; K61-M63 PolarHBondContact O-N 2.94Å; M63-H65 PolarHBondContact O-N 3.38Å; M63-H66 VanDerWaalsContact O-CB 3.28Å; M63-H66 WeakPolarHBondContact O-CB 3.44Å; M63-H66 PolarHBondContact O-N 2.84Å; M63-V77 HydrophobicContact SD-CG1 3.86Å; M63-D79 HydrophobicContact CE-CB 4.31Å; M63-D79 HydrophobicContact SD-CB 4.32Å; M63-D79 PolarHBondContact SD-N 2.86Å
64A95.7Very high93.2Very high74 Ų7479.8 Ų79.861%0.61239%0.391SS*.Hα-helixtrans-70.7-16175.900000113.5Q60 K61 A62 H66Q60-A64 PolarHBondContact O-N 2.88Å; Q60-A64 VanDerWaalsContact O-N 3.12Å; K61-A64 WeakPolarHBondContact O-CA 3.47Å; K61-A64 VanDerWaalsContact O-CB 3.28Å; K61-A64 WeakPolarHBondContact O-CB 3.34Å; K61-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 2.85Å; A64-H66 VanDerWaalsContact C-N 3.25Å; A64-H66 PolarHBondContact O-N 3.18Å
65H93.7Very high93.3Very high9 Ų974.7 Ų74.74%0.04237%0.367CS..THydrogen-bonded Turntrans-80.71.8172.3-74.4-83.9000114.2F22 F23 D25 K61 A62 M63 N67 Q68F22-H65 HydrophobicContact CD1-CB 4.48Å; F22-H65 HydrophobicContact CE1-CB 3.79Å; F22-H65 HydrophobicContact CZ-CB 4.32Å; F22-H65 PolarHBondContact O-CE1 3.05Å; F23-H65 HydrophobicContact CD1-CB 4.18Å; F23-H65 AromaticContact CD1-CD2 3.92Å; F23-H65 HydrophobicContact CE1-CB 3.75Å; D25-H65 VanDerWaalsContact CG-NE2 3.33Å; D25-H65 IonicContact OD1-CD2 3.98Å; D25-H65 IonicContact OD1-CE1 3.88Å; D25-H65 IonicContact OD1-NE2 2.89Å; D25-H65 PolarHBondContact OD1-NE2 3.3Å; D25-H65 IonicContact OD2-NE2 3.43Å; D25-H65 PolarHBondContact OD2-NE2 2.64Å; K61-H65 PolarHBondContact O-CD2 3.45Å; K61-H65 PolarHBondContact O-N 3.2Å; A62-H65 WeakPolarHBondContact O-CB 3.46Å; A62-H65 PolarHBondContact O-N 3.33Å; A62-H65 VanDerWaalsContact O-N 3.13Å; M63-H65 PolarHBondContact O-N 3.38Å; H65-N67 PolarHBondContact O-N 3.39Å; H65-Q68 VanDerWaalsContact ND1-CD 3.31Å; H65-Q68 PolarHBondContact ND1-NE2 3.26Å; H65-Q68 PolarHBondContact ND1-OE1 3Å; H65-Q68 WeakPolarHBondContact O-CB 3.46Å; H65-Q68 WeakPolarHBondContact O-CG 2.9Å; H65-Q68 PolarHBondContact O-N 3.5Å; H65-Q68 VanDerWaalsContact O-N 3.12Å
66H94.2Very high93.4Very high75 Ų7575.4 Ų75.435%0.34737%0.367SS..THydrogen-bonded Turntrans-56.5133.5176.6-176.486.4000111.9M63 A64 Q68 V77M63-H66 VanDerWaalsContact O-CB 3.28Å; M63-H66 WeakPolarHBondContact O-CB 3.44Å; M63-H66 PolarHBondContact O-N 2.84Å; A64-H66 VanDerWaalsContact C-N 3.25Å; A64-H66 PolarHBondContact O-N 3.18Å; H66-Q68 PolarHBondContact O-N 3.46Å; H66-V77 HydrophobicContact CB-CB 4.27Å; H66-V77 PolarHBondContact ND1-N 3.49Å; H66-V77 VanDerWaalsContact ND1-N 3.14Å; H66-V77 PolarHBondContact ND1-O 3.15Å
67N93.4Very high93.6Very high86 Ų8668.9 Ų68.946%0.4634%0.339SS..THydrogen-bonded Turntrans65.510-174.8-64-37000116.5H65 I75H65-N67 PolarHBondContact O-N 3.39Å; N67-I75 WeakPolarHBondContact CA-O 3.41Å; N67-I75 PolarHBondContact N-O 2.95Å
68Q93.6Very high93.6Very high86 Ų8668.1 Ų68.140%0.40233%0.331SS..  trans-75.8156.6168.2-62.3-175.112.300111.2F22 H65 H66 Y74 I75F22-Q68 HydrophobicContact CE2-CB 3.81Å; F22-Q68 HydrophobicContact CZ-CB 3.6Å; H65-Q68 VanDerWaalsContact ND1-CD 3.31Å; H65-Q68 PolarHBondContact ND1-NE2 3.26Å; H65-Q68 PolarHBondContact ND1-OE1 3Å; H65-Q68 WeakPolarHBondContact O-CB 3.46Å; H65-Q68 WeakPolarHBondContact O-CG 2.9Å; H65-Q68 PolarHBondContact O-N 3.5Å; H65-Q68 VanDerWaalsContact O-N 3.12Å; H66-Q68 PolarHBondContact O-N 3.46Å; Q68-Y74 CarbonylContact O-C 3.57Å; Q68-Y74 WeakPolarHBondContact O-CA 3.45Å; Q68-I75 PolarHBondContact O-N 3.39Å
69H92Very high93.5Very high125 Ų12572.6 Ų72.658%0.57936%0.356SS*.EExtended strand (participates in β ladder)trans-94.6127-172.6-75.163000112.3R73H69-R73 CarbonylContact C-O 3.55Å; H69-R73 WeakPolarHBondContact CA-O 3.33Å
70L89.4Confident93.3Very high23 Ų2371.2 Ų71.212%0.1235%0.351CS..EExtended strand (participates in β ladder)trans-102.6100.5163.3-170.665.4000108.1L10 P11 A14 D18 F22 R72 R73 I75L10-L70 HydrophobicContact CD2-CD2 3.6Å; P11-L70 HydrophobicContact CG-CG 4.45Å; P11-L70 VanDerWaalsContact CG-O 3.23Å; P11-L70 WeakPolarHBondContact CG-O 3.47Å; A14-L70 HydrophobicContact CB-CD2 4.06Å; D18-L70 HydrophobicContact CB-CD1 4.37Å; D18-L70 HydrophobicContact CB-CD2 4.37Å; F22-L70 HydrophobicContact CB-CD1 4.03Å; F22-L70 HydrophobicContact CD2-CB 4.1Å; F22-L70 HydrophobicContact CD2-CD1 3.9Å; F22-L70 HydrophobicContact CE2-CB 4.24Å; F22-L70 HydrophobicContact CG-CD1 4.28Å; L70-R72 PolarHBondContact O-N 3.38Å; L70-R73 PolarHBondContact N-O 3.4Å; L70-R73 PolarHBondContact O-N 2.85Å; L70-I75 HydrophobicContact CB-CD1 3.75Å; L70-I75 HydrophobicContact CB-CG1 3.58Å; L70-I75 HydrophobicContact CD2-CD1 4.33Å
71G87.1Confident93Very high68 Ų6867.8 Ų67.870%0.70134%0.339SS*.THydrogen-bonded Turntrans64-116.4-170.500000111.6
72R87.9Confident92.5Very high245 Ų24565.9 Ų65.993%0.92533%0.334SS*.THydrogen-bonded Turntrans-99.14.4-177.2-62.9-175.6-178.5-179.8-0.5114.3L70L70-R72 PolarHBondContact O-N 3.38Å
73R91.7Very high91.7Very high100 Ų10071.4 Ų71.438%0.37736%0.36SS..EExtended strand (participates in β ladder)trans-121138.2-178.2-61.2-173.569.7167.45.7109.4G9 L10 P11 H69 L70G9-R73 VanDerWaalsContact O-CB 3.23Å; G9-R73 WeakPolarHBondContact O-CB 2.84Å; G9-R73 VanDerWaalsContact O-CD 3.31Å; G9-R73 WeakPolarHBondContact O-CD 3.38Å; G9-R73 PolarHBondContact O-NE 3.14Å; L10-R73 PolarHBondContact O-NH1 2.91Å; P11-R73 HydrophobicContact CG-CB 4.37Å; P11-R73 HydrophobicContact CG-CG 4.39Å; H69-R73 CarbonylContact C-O 3.55Å; H69-R73 WeakPolarHBondContact CA-O 3.33Å; L70-R73 PolarHBondContact N-O 3.4Å; L70-R73 PolarHBondContact O-N 2.85Å
74Y92.2Very high91.2Very high130 Ų13071.5 Ų71.551%0.5136%0.361SS..EExtended strand (participates in β ladder)trans-74.3143.6166.357.2-91.9000109.3Q68 E76Q68-Y74 CarbonylContact O-C 3.57Å; Q68-Y74 WeakPolarHBondContact O-CA 3.45Å; Y74-E76 HydrophobicContact CD2-CG 4.17Å; Y74-E76 HydrophobicContact CE2-CG 4.12Å
75I95.7Very high90.7Very high1 Ų168.1 Ų68.11%0.00533%0.333CS..PPolyproline II helixtrans-101.7125.1178.3-57.7-52.2000108.7I7 R8 G9 L10 F22 N67 Q68 L70 V77I7-I75 HydrophobicContact CB-CG2 4.03Å; I7-I75 HydrophobicContact CG2-CG2 4.44Å; R8-I75 WeakPolarHBondContact O-CA 3.39Å; G9-I75 WeakPolarHBondContact O-CD1 3.45Å; L10-I75 HydrophobicContact CD2-CD1 3.9Å; L10-I75 HydrophobicContact CG-CD1 4.43Å; F22-I75 HydrophobicContact CE1-CB 4Å; F22-I75 HydrophobicContact CE1-CG1 4.19Å; F22-I75 HydrophobicContact CE1-CG2 4.09Å; F22-I75 HydrophobicContact CE2-CG1 4.11Å; F22-I75 HydrophobicContact CZ-CB 3.71Å; F22-I75 HydrophobicContact CZ-CG1 3.77Å; F22-I75 HydrophobicContact CZ-CG2 4.32Å; N67-I75 WeakPolarHBondContact CA-O 3.41Å; N67-I75 PolarHBondContact N-O 2.95Å; Q68-I75 PolarHBondContact O-N 3.39Å; L70-I75 HydrophobicContact CB-CD1 3.75Å; L70-I75 HydrophobicContact CB-CG1 3.58Å; L70-I75 HydrophobicContact CD2-CD1 4.33Å; I75-V77 HydrophobicContact CG2-CG2 4.18Å
76E95.6Very high90Very high53 Ų5370.6 Ų70.625%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-92117171.7-60.31759800108.1I7 R8 Y74 F78I7-E76 CarbonylContact C-O 3.55Å; I7-E76 VanDerWaalsContact CA-O 3.31Å; I7-E76 WeakPolarHBondContact CA-O 3.28Å; R8-E76 HydrophobicContact CB-CB 4.38Å; R8-E76 PolarHBondContact N-O 3.41Å; R8-E76 PolarHBondContact O-N 3.26Å; Y74-E76 HydrophobicContact CD2-CG 4.17Å; Y74-E76 HydrophobicContact CE2-CG 4.12Å; E76-F78 HydrophobicContact CB-CD2 4.33Å; E76-F78 HydrophobicContact CB-CE2 3.47Å; E76-F78 VanDerWaalsContact CB-CE2 3.47Å; E76-F78 HydrophobicContact CB-CZ 3.82Å
77V96.7Very high89.1Confident2 Ų272.9 Ų72.91%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-99.4128.4174.3-169.90000109V5 I7 F23 M63 H66 I75V5-V77 HydrophobicContact CB-CG1 4.04Å; V5-V77 HydrophobicContact CG1-CG1 4.32Å; V5-V77 HydrophobicContact CG2-CG1 4.42Å; I7-V77 HydrophobicContact CG2-CB 4.46Å; I7-V77 HydrophobicContact CG2-CG1 4.14Å; I7-V77 HydrophobicContact CG2-CG2 4.11Å; F23-V77 HydrophobicContact CE1-CG2 4.03Å; F23-V77 HydrophobicContact CZ-CG2 3.82Å; M63-V77 HydrophobicContact SD-CG1 3.86Å; H66-V77 HydrophobicContact CB-CB 4.27Å; H66-V77 PolarHBondContact ND1-N 3.49Å; H66-V77 VanDerWaalsContact ND1-N 3.14Å; H66-V77 PolarHBondContact ND1-O 3.15Å; I75-V77 HydrophobicContact CG2-CG2 4.18Å
78F95.6Very high88.2Confident63 Ų6370.7 Ų70.728%0.27636%0.355SS..EExtended strand (participates in β ladder)trans-120144.9178-59.8-87000110V5 R6 R8 E76 S80V5-F78 WeakPolarHBondContact CA-O 3.15Å; R6-F78 HydrophobicContact CB-CB 4.43Å; R6-F78 PolarHBondContact N-O 3.1Å; R6-F78 VanDerWaalsContact NH2-CG 3.26Å; R6-F78 PolarHBondContact O-N 3.23Å; R8-F78 HydrophobicContact CB-CE2 4.07Å; E76-F78 HydrophobicContact CB-CD2 4.33Å; E76-F78 HydrophobicContact CB-CE2 3.47Å; E76-F78 VanDerWaalsContact CB-CE2 3.47Å; E76-F78 HydrophobicContact CB-CZ 3.82Å; F78-S80 PolarHBondContact O-N 2.86Å
79D93.6Very high87.2Confident97 Ų9769.8 Ų69.852%0.51935%0.352SS..EExtended strand (participates in β ladder)trans-65.4130.8165.3-169.9-9.5000108.9K59 M63K59-D79 WeakPolarHBondContact CE-OD1 3.28Å; K59-D79 WeakPolarHBondContact CE-OD2 3.23Å; K59-D79 IonicContact NZ-OD1 3.84Å; K59-D79 PolarHBondContact NZ-OD1 3.46Å; K59-D79 IonicContact NZ-OD2 3.98Å; K59-D79 PolarHBondContact NZ-OD2 3.26Å; M63-D79 HydrophobicContact CE-CB 4.31Å; M63-D79 HydrophobicContact SD-CB 4.32Å; M63-D79 PolarHBondContact SD-N 2.86Å
80S90.8Very high85.6Confident8 Ų867.1 Ų67.16%0.05636%0.358CS..EExtended strand (participates in β ladder)trans-137.5164.7173-99.50000111.3V4 R6 F78 D84V4-S80 CarbonylContact C-O 3.58Å; V4-S80 PolarHBondContact O-N 3.43Å; R6-S80 WeakPolarHBondContact CB-OG 3.14Å; F78-S80 PolarHBondContact O-N 2.86Å; S80-D84 WeakPolarHBondContact CB-OD2 3.23Å; S80-D84 PolarHBondContact OG-OD2 3.18Å
81C87.6Confident83.4Confident46 Ų4668.6 Ų68.631%0.31137%0.37SS..  trans-109.3174.7174.965.60000112.2E83 D84 L85C81-E83 VanDerWaalsContact CB-OE2 3.25Å; C81-E83 WeakPolarHBondContact CB-OE2 3.31Å; C81-E83 PolarHBondContact O-N 2.93Å; C81-E83 PolarHBondContact SG-OE2 2.69Å; C81-D84 PolarHBondContact N-OD2 3.35Å; C81-D84 PolarHBondContact O-N 2.79Å; C81-D84 PolarHBondContact SG-N 2.94Å; C81-D84 VanDerWaalsContact SG-N 3.43Å; C81-L85 PolarHBondContact O-N 3.49Å
82S84.1Confident81.2Confident25 Ų2576.1 Ų76.118%0.17538%0.377CS..Hα-helixtrans-63.6-32.2175.5-52.20000111.6C2 L85 N86C2-S82 VanDerWaalsContact CB-OG 3.26Å; C2-S82 WeakPolarHBondContact CB-OG 3.31Å; S82-L85 PolarHBondContact O-N 3.04Å; S82-N86 WeakPolarHBondContact O-CB 3.31Å; S82-N86 PolarHBondContact O-N 3.45Å; S82-N86 PolarHBondContact O-ND2 3.18Å; S82-N86 VanDerWaalsContact O-ND2 3.16Å
83E80.2Confident78.6Confident118 Ų11869 Ų6955%0.55136%0.363SS*.Hα-helixtrans-65-43.6176.5-60.469.8-14700110.9C81 L85 N86 N87C81-E83 VanDerWaalsContact CB-OE2 3.25Å; C81-E83 WeakPolarHBondContact CB-OE2 3.31Å; C81-E83 PolarHBondContact O-N 2.93Å; C81-E83 PolarHBondContact SG-OE2 2.69Å; E83-L85 PolarHBondContact O-N 3.01Å; E83-N86 PolarHBondContact O-N 3.37Å; E83-N87 VanDerWaalsContact O-CB 3.29Å; E83-N87 WeakPolarHBondContact O-CB 3.21Å; E83-N87 PolarHBondContact O-N 3.23Å; E83-N87 PolarHBondContact O-ND2 3.42Å
84D83.7Confident75.6Confident67 Ų6773.6 Ų73.636%0.35838%0.381SS..Hα-helixtrans-60.4-44.5175.1-68.2-24000111.9F50 S80 C81 N87 A88F50-D84 HydrophobicContact CE1-CB 3.89Å; F50-D84 HydrophobicContact CZ-CB 4.49Å; S80-D84 WeakPolarHBondContact CB-OD2 3.23Å; S80-D84 PolarHBondContact OG-OD2 3.18Å; C81-D84 PolarHBondContact N-OD2 3.35Å; C81-D84 PolarHBondContact O-N 2.79Å; C81-D84 PolarHBondContact SG-N 2.94Å; C81-D84 VanDerWaalsContact SG-N 3.43Å; D84-N87 PolarHBondContact O-N 2.88Å; D84-A88 VanDerWaalsContact O-CB 3.23Å; D84-A88 WeakPolarHBondContact O-CB 3.23Å; D84-A88 PolarHBondContact O-N 3.31Å
85L85.1Confident73Confident4 Ų471.9 Ų71.92%0.02138%0.378CS..Hα-helixtrans-59.7-47.8175.5168.166.4000110.9V4 Y36 F50 E52 C81 S82 E83 N87 A88 M89V4-L85 HydrophobicContact CG1-CB 4.15Å; V4-L85 HydrophobicContact CG2-CD2 4.38Å; Y36-L85 HydrophobicContact CD1-CD1 4.18Å; Y36-L85 HydrophobicContact CD2-CD1 3.62Å; Y36-L85 HydrophobicContact CD2-CD2 4.11Å; Y36-L85 HydrophobicContact CE2-CD1 4.33Å; Y36-L85 HydrophobicContact CE2-CD2 4.03Å; Y36-L85 HydrophobicContact CG-CD1 3.55Å; F50-L85 HydrophobicContact CB-CB 4.5Å; F50-L85 HydrophobicContact CB-CD1 3.38Å; F50-L85 HydrophobicContact CB-CG 4.46Å; F50-L85 HydrophobicContact CD1-CB 4.04Å; F50-L85 HydrophobicContact CD1-CD1 4.36Å; F50-L85 HydrophobicContact CD2-CD1 4.48Å; F50-L85 HydrophobicContact CG-CB 4.4Å; F50-L85 HydrophobicContact CG-CD1 3.87Å; E52-L85 HydrophobicContact CG-CD2 3.87Å; E52-L85 WeakPolarHBondContact OE1-CD2 3.33Å; C81-L85 PolarHBondContact O-N 3.49Å; S82-L85 PolarHBondContact O-N 3.04Å; E83-L85 PolarHBondContact O-N 3.01Å; L85-N87 PolarHBondContact O-N 3.04Å; L85-A88 PolarHBondContact O-N 2.88Å; L85-M89 HydrophobicContact CD1-CG 3.8Å; L85-M89 VanDerWaalsContact O-CB 3.28Å; L85-M89 WeakPolarHBondContact O-CB 3.48Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.32Å; L85-M89 PolarHBondContact O-N 3.26Å
86N78.8Confident70.1Confident60 Ų6076.4 Ų76.432%0.32141%0.409SS..Hα-helixtrans-62.6-43.6179.3-70-24.3000111.4S82 E83 M89 G90 C91S82-N86 WeakPolarHBondContact O-CB 3.31Å; S82-N86 PolarHBondContact O-N 3.45Å; S82-N86 PolarHBondContact O-ND2 3.18Å; S82-N86 VanDerWaalsContact O-ND2 3.16Å; E83-N86 PolarHBondContact O-N 3.37Å; N86-M89 PolarHBondContact O-N 2.95Å; N86-G90 PolarHBondContact O-N 3.17Å; N86-C91 PolarHBondContact O-N 3.3Å; N86-C91 VanDerWaalsContact O-N 3.15Å
87N76.9Confident67.4Low124 Ų12480.3 Ų80.366%0.66344%0.443SS*.Hα-helixtrans-61.8-46.9176.5-70.5-21.8000111E83 D84 L85 G90E83-N87 VanDerWaalsContact O-CB 3.29Å; E83-N87 WeakPolarHBondContact O-CB 3.21Å; E83-N87 PolarHBondContact O-N 3.23Å; E83-N87 PolarHBondContact O-ND2 3.42Å; D84-N87 PolarHBondContact O-N 2.88Å; L85-N87 PolarHBondContact O-N 3.04Å; N87-G90 PolarHBondContact O-N 3.02Å
88A74.5Confident64.7Low40 Ų4087.2 Ų87.233%0.33148%0.479SS..Hα-helixtrans-69.2-35-179.500000112.8P38 F50 D84 L85 G90P38-A88 HydrophobicContact CB-CB 4.31Å; P38-A88 HydrophobicContact CG-CB 3.86Å; F50-A88 HydrophobicContact CD2-CB 4.01Å; F50-A88 HydrophobicContact CE1-CB 4.47Å; F50-A88 HydrophobicContact CE2-CB 3.19Å; F50-A88 HydrophobicContact CZ-CB 3.46Å; F50-A88 VanDerWaalsContact CZ-CB 3.46Å; D84-A88 VanDerWaalsContact O-CB 3.23Å; D84-A88 WeakPolarHBondContact O-CB 3.23Å; D84-A88 PolarHBondContact O-N 3.31Å; L85-A88 PolarHBondContact O-N 2.88Å; A88-G90 PolarHBondContact O-N 3.31Å
89M71.7Confident62.3Low66 Ų6692.1 Ų92.133%0.32550%0.496SS..THydrogen-bonded Turntrans-74.6-4.6175-73.2-59.7-62.600113.2Y36 L85 N86 C91Y36-M89 HydrophobicContact CD1-CE 4.12Å; Y36-M89 HydrophobicContact CD1-CG 4.26Å; Y36-M89 HydrophobicContact CD1-SD 4.19Å; Y36-M89 HydrophobicContact CG-SD 4.41Å; L85-M89 HydrophobicContact CD1-CG 3.8Å; L85-M89 VanDerWaalsContact O-CB 3.28Å; L85-M89 WeakPolarHBondContact O-CB 3.48Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.32Å; L85-M89 PolarHBondContact O-N 3.26Å; N86-M89 PolarHBondContact O-N 2.95Å; M89-C91 HydrophobicContact CB-CB 4.06Å; M89-C91 PolarHBondContact O-N 2.96Å; M89-C91 PolarHBondContact O-SG 3.05Å
90G58.7Low60.4Low69 Ų6997.3 Ų97.371%0.71151%0.508SS*.THydrogen-bonded Turntrans58.511.5-172.600000113N86 N87 A88N86-G90 PolarHBondContact O-N 3.17Å; N87-G90 PolarHBondContact O-N 3.02Å; A88-G90 PolarHBondContact O-N 3.31Å
91C42.9Very low59.4Low54 Ų54100 Ų10037%0.36552%0.52SS..  trans-98.3101.7-172.5-76.20000108.2N86 M89N86-C91 PolarHBondContact O-N 3.3Å; N86-C91 VanDerWaalsContact O-N 3.15Å; M89-C91 HydrophobicContact CB-CB 4.06Å; M89-C91 PolarHBondContact O-N 2.96Å; M89-C91 PolarHBondContact O-SG 3.05Å
92R41Very low59.4Low226 Ų22699.6 Ų99.685%0.85351%0.514SS*.  trans-51.3138.8152.1-66.8-178.3176.3-129.6-0.4107.5Y94R92-Y94 PolarHBondContact O-N 2.66Å
93P32.6Very low59.7Low97 Ų9798.5 Ų98.563%0.6351%0.506SS*.SBendtrans-60.4140.4-164.927.1-34.1000109.6
94Y30Very low60.3Low195 Ų19592.9 Ų92.977%0.76548%0.48SS*.  trans75.7105.1-160.7-65.8-102.2000111.9R92R92-Y94 PolarHBondContact O-N 2.66Å
95H36.6Very low60.8Low95 Ų9591.7 Ų91.744%0.4447%0.47SS..  -174.898.7114.9-93.164.7000106.8S97H95-S97 PolarHBondContact O-N 3.3Å
96S34.8Very low61.3Low95 Ų9591.5 Ų91.566%0.66447%0.469SS*.  trans-49.9137.7159.2-61.10000108N98 R99S96-N98 PolarHBondContact O-N 3.11Å; S96-R99 PolarHBondContact O-N 3.19Å
97S40.4Very low61.9Low136 Ų13694.2 Ų94.295%0.95148%0.475SS*.THydrogen-bonded Turntrans-56.123.9174.6280000115.3H95H95-S97 PolarHBondContact O-N 3.3Å
98N38.7Very low62.6Low146 Ų14688.7 Ų88.778%0.78145%0.447SS*.THydrogen-bonded Turntrans-138.84.6177.5-139.89.2000114.3S96 R100S96-N98 PolarHBondContact O-N 3.11Å; N98-R100 PolarHBondContact O-N 3.16Å
99R46.1Very low63.5Low167 Ų16786.8 Ų86.863%0.6343%0.432SS*.SBendtrans-8692.7162.5-81.8-157.8174.3-168.6-1.2107.8S96 E101S96-R99 PolarHBondContact O-N 3.19Å; R99-E101 PolarHBondContact O-N 3.21Å
100R52.7Low64.4Low205 Ų20583.8 Ų83.877%0.77442%0.417SS*.  trans-42.7112.6172.9-69.3-180-179.3165.1-0.1108.3N98 H102N98-R100 PolarHBondContact O-N 3.16Å; R100-H102 PolarHBondContact O-CE1 2.86Å; R100-H102 PolarHBondContact O-N 3.27Å; R100-H102 PolarHBondContact O-ND1 2.94Å; R100-H102 PolarHBondContact O-NE2 2.86Å
101E69.7Low65.8Low64 Ų6488 Ų8830%0.29941%0.412SS..  trans-71.9129.5179.8-62.5174.5165.700107.7R99 V103 T178 M179R99-E101 PolarHBondContact O-N 3.21Å; E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 HydrophobicContact CB-CG2 4.38Å; E101-V103 PolarHBondContact O-N 3.09Å; E101-T178 VanDerWaalsContact OE2-CA 3.24Å; E101-T178 WeakPolarHBondContact OE2-CA 3.49Å; E101-T178 WeakPolarHBondContact OE2-CB 3.25Å; E101-M179 HydrophobicContact CG-CB 4.39Å; E101-M179 PolarHBondContact OE2-N 3.07Å
102H87.6Confident68Low39 Ų3990.8 Ų90.818%0.18142%0.424CS..  trans-95.958.8-176-55.7-38.3000110.1R100 F150 S152 S153 L156R100-H102 PolarHBondContact O-CE1 2.86Å; R100-H102 PolarHBondContact O-N 3.27Å; R100-H102 PolarHBondContact O-ND1 2.94Å; R100-H102 PolarHBondContact O-NE2 2.86Å; H102-F150 HydrophobicContact CB-CB 4.02Å; H102-F150 WeakPolarHBondContact CB-O 3.44Å; H102-F150 PolarHBondContact O-N 3.44Å; H102-S152 VanDerWaalsContact CD2-CA 3.49Å; H102-S152 WeakPolarHBondContact CD2-CA 3.13Å; H102-S152 VanDerWaalsContact CG-C 3.5Å; H102-S153 PolarHBondContact CD2-N 3.31Å; H102-S153 VanDerWaalsContact CD2-N 3.34Å; H102-S153 VanDerWaalsContact CE1-CA 3.43Å; H102-S153 WeakPolarHBondContact CE1-CA 3.35Å; H102-S153 WeakPolarHBondContact CE1-CB 3.17Å; H102-S153 PolarHBondContact CE1-N 3.31Å; H102-S153 WeakPolarHBondContact ND1-CA 3.12Å; H102-S153 PolarHBondContact NE2-N 2.92Å; H102-S153 VanDerWaalsContact NE2-N 3.18Å; H102-L156 HydrophobicContact CB-CB 4.16Å
103V90.3Very high70.4Confident2 Ų280 Ų801%0.01238%0.383CS..EExtended strand (participates in β ladder)trans-112137.1-174.8-174.70000110.7E101 Y147 V148 Q149 S177 M179 A182E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 HydrophobicContact CB-CG2 4.38Å; E101-V103 PolarHBondContact O-N 3.09Å; V103-Y147 HydrophobicContact CG1-CD1 4.26Å; V103-V148 CarbonylContact C-O 3.43Å; V103-V148 WeakPolarHBondContact CA-O 3.23Å; V103-Q149 HydrophobicContact CG2-CB 4.2Å; V103-Q149 HydrophobicContact CG2-CG 4.2Å; V103-S177 PolarHBondContact O-N 3.49Å; V103-S177 VanDerWaalsContact O-O 3.06Å; V103-M179 HydrophobicContact CG2-CB 4.25Å; V103-M179 HydrophobicContact CG2-CE 3.89Å; V103-A182 HydrophobicContact CG1-CB 4.24Å
104V93.6Very high73.1Confident0 Ų081 Ų810%038%0.379CS..EExtended strand (participates in β ladder)trans-116.8146.2168.4-58.70000110.8L106 F122 Y147 V148 F150 L156 A159 I174 F175V104-L106 HydrophobicContact CG2-CD2 4.29Å; V104-F122 HydrophobicContact CG2-CE2 4.4Å; V104-F122 HydrophobicContact CG2-CZ 4.12Å; V104-Y147 CarbonylContact O-C 3.48Å; V104-Y147 VanDerWaalsContact O-CA 3.32Å; V104-Y147 WeakPolarHBondContact O-CA 3.37Å; V104-V148 HydrophobicContact CG2-CB 3.84Å; V104-V148 PolarHBondContact N-O 2.99Å; V104-V148 PolarHBondContact O-N 3.47Å; V104-F150 HydrophobicContact CB-CE2 4.48Å; V104-F150 HydrophobicContact CG1-CE2 3.99Å; V104-F150 HydrophobicContact CG2-CE2 3.69Å; V104-F150 HydrophobicContact CG2-CZ 4.38Å; V104-L156 HydrophobicContact CG1-CD1 3.38Å; V104-A159 HydrophobicContact CG1-CB 4.38Å; V104-I174 HydrophobicContact CB-CG2 3.86Å; V104-I174 HydrophobicContact CG1-CG2 3.96Å; V104-I174 HydrophobicContact CG2-CG2 4.26Å; V104-F175 CarbonylContact C-O 3.59Å; V104-F175 WeakPolarHBondContact CA-O 3.35Å; V104-F175 WeakPolarHBondContact CB-O 3.49Å
105R94.2Very high75.9Confident41 Ų4176.9 Ų76.916%0.15537%0.365CS..EExtended strand (participates in β ladder)trans-98.3121.8165.6-174.3175.66474.65.1108.7E145 A146 Y147 F175 E181R105-E145 IonicContact NH1-OE1 2.69Å; R105-A146 CarbonylContact C-O 3.59Å; R105-A146 WeakPolarHBondContact CA-O 3.35Å; R105-Y147 HydrophobicContact CB-CD1 3.92Å; R105-Y147 HydrophobicContact CB-CE1 3.6Å; R105-Y147 VanDerWaalsContact CD-OH 3.26Å; R105-Y147 WeakPolarHBondContact CD-OH 3.43Å; R105-Y147 HydrophobicContact CG-CD1 4.17Å; R105-Y147 HydrophobicContact CG-CE1 3.6Å; R105-Y147 HydrophobicContact CG-CE2 4.43Å; R105-F175 HydrophobicContact CB-CB 4.41Å; R105-F175 PolarHBondContact N-O 2.9Å; R105-F175 VanDerWaalsContact NH2-CG 3.32Å; R105-F175 PolarHBondContact O-N 2.95Å; R105-E181 IonicContact NE-OE1 3.68Å
106L95.3Very high78.5Confident0 Ų079.2 Ų79.20%037%0.374CS..EExtended strand (participates in β ladder)trans-89.4136.7169.6-58.7-174.5000109.6V104 L109 I118 F122 E145 A146 V148 I172 E173 I174V104-L106 HydrophobicContact CG2-CD2 4.29Å; L106-L109 HydrophobicContact CB-CD1 4.28Å; L106-L109 HydrophobicContact CB-CD2 4.36Å; L106-L109 HydrophobicContact CB-CG 4.34Å; L106-L109 HydrophobicContact CD1-CD1 4.47Å; L106-L109 HydrophobicContact CD1-CD2 4.08Å; L106-I118 HydrophobicContact CD1-CD1 4.38Å; L106-I118 HydrophobicContact CD1-CG1 4.33Å; L106-I118 HydrophobicContact CD1-CG2 3.8Å; L106-F122 HydrophobicContact CD1-CE2 3.9Å; L106-F122 HydrophobicContact CD2-CE2 3.86Å; L106-F122 HydrophobicContact CD2-CZ 3.67Å; L106-F122 HydrophobicContact CG-CE2 4.3Å; L106-E145 VanDerWaalsContact O-CA 3.3Å; L106-E145 WeakPolarHBondContact O-CA 3.5Å; L106-A146 HydrophobicContact CB-CB 4.31Å; L106-A146 HydrophobicContact CD1-CB 4.4Å; L106-A146 PolarHBondContact N-O 2.99Å; L106-A146 PolarHBondContact O-N 2.99Å; L106-A146 VanDerWaalsContact O-N 3.08Å; L106-V148 HydrophobicContact CD1-CG2 3.99Å; L106-V148 HydrophobicContact CG-CG2 4.35Å; L106-I172 HydrophobicContact CB-CG2 4.27Å; L106-I172 HydrophobicContact CD2-CG2 3.94Å; L106-E173 CarbonylContact C-O 3.12Å; L106-E173 WeakPolarHBondContact CA-O 3.47Å; L106-I174 HydrophobicContact CD2-CB 4.47Å; L106-I174 HydrophobicContact CD2-CD1 4.41Å; L106-I174 HydrophobicContact CD2-CG1 3.82Å; L106-I174 HydrophobicContact CD2-CG2 4.34Å
107R91.9Very high81.3Confident118 Ų11878.2 Ų78.245%0.44536%0.359SS..EExtended strand (participates in β ladder)trans-134145171.8179.7177.5175.5112.3-10.7110.3G144 E145 E173 F175R107-G144 CarbonylContact C-O 3.47Å; R107-E145 HydrophobicContact CG-CG 4.43Å; R107-E145 IonicContact CZ-OE1 2.64Å; R107-E145 IonicContact NH1-OE1 3.74Å; R107-E145 PolarHBondContact NH1-OE1 3.37Å; R107-E173 HydrophobicContact CB-CB 4.27Å; R107-E173 WeakPolarHBondContact CD-OE2 3.45Å; R107-E173 PolarHBondContact N-O 3.41Å; R107-E173 IonicContact NE-OE2 3.77Å; R107-E173 PolarHBondContact O-N 3.32Å; R107-F175 HydrophobicContact CB-CE2 4.16Å
108G91Very high83.8Confident8 Ų871.7 Ų71.78%0.08231%0.314CS..  trans88.321.7178.700000113.9G144 R170 I172G108-G144 PolarHBondContact N-O 3.25Å; G108-R170 VanDerWaalsContact CA-NH2 3.33Å; G108-R170 WeakPolarHBondContact O-CB 3.48Å; G108-R170 PolarHBondContact O-NE 2.75Å; G108-I172 VanDerWaalsContact O-CD1 3.31Å; G108-I172 WeakPolarHBondContact O-CD1 3.2Å
109L93.2Very high86.3Confident0 Ų069.9 Ų69.90%030%0.299CS..  trans-60.7140.2171.6-59.8170.6000110.2L106 T113 I118 L134 G144 A146 I167 I172L106-L109 HydrophobicContact CB-CD1 4.28Å; L106-L109 HydrophobicContact CB-CD2 4.36Å; L106-L109 HydrophobicContact CB-CG 4.34Å; L106-L109 HydrophobicContact CD1-CD1 4.47Å; L106-L109 HydrophobicContact CD1-CD2 4.08Å; L109-T113 HydrophobicContact CB-CG2 4.29Å; L109-T113 HydrophobicContact CD1-CG2 4.44Å; L109-T113 HydrophobicContact CD2-CG2 4.16Å; L109-I118 HydrophobicContact CD1-CD1 3.93Å; L109-I118 HydrophobicContact CD2-CG1 4.41Å; L109-L134 HydrophobicContact CD1-CD1 3.96Å; L109-G144 PolarHBondContact N-O 2.85Å; L109-G144 WeakPolarHBondContact O-CA 3.31Å; L109-A146 HydrophobicContact CD1-CB 3.49Å; L109-A146 VanDerWaalsContact CD1-CB 3.49Å; L109-I167 HydrophobicContact CD2-CD1 3.71Å; L109-I172 HydrophobicContact CD2-CD1 3.85Å; L109-I172 HydrophobicContact CD2-CG1 4.35Å; L109-I172 HydrophobicContact CD2-CG2 4.31Å
110P90.2Very high88.5Confident3 Ų365.2 Ų65.22%0.01930%0.296CS..  trans-49.9148.3162.9-23.830.7000112.4D112 T113 I167 R170P110-D112 WeakPolarHBondContact CB-OD1 3.34Å; P110-D112 PolarHBondContact O-N 2.74Å; P110-T113 WeakPolarHBondContact CB-OG1 3.26Å; P110-T113 WeakPolarHBondContact CD-OG1 3.24Å; P110-T113 WeakPolarHBondContact CG-OG1 3.35Å; P110-T113 VanDerWaalsContact O-CB 3.29Å; P110-T113 WeakPolarHBondContact O-CB 3.46Å; P110-T113 PolarHBondContact O-N 2.96Å; P110-T113 VanDerWaalsContact O-N 3.13Å; P110-T113 PolarHBondContact O-OG1 3.4Å; P110-I167 HydrophobicContact CG-CG2 4.28Å; P110-I167 WeakPolarHBondContact CG-O 3.37Å; P110-R170 HydrophobicContact CG-CB 4.14Å; P110-R170 HydrophobicContact CG-CG 4.22Å
111Y89.1Confident90.5Very high156 Ų15656.2 Ų56.261%0.61226%0.263SS*.THydrogen-bonded Turntrans-73.2-14.5-176.9-62.4-43.5000113.4C142Y111-C142 VanDerWaalsContact CD1-O 3.26Å; Y111-C142 WeakPolarHBondContact CD1-O 3.48Å
112D89.8Confident91.6Very high113 Ų11353.3 Ų53.360%0.60425%0.249SC*.THydrogen-bonded Turntrans-94.73.6173.154-23.3000113P110 E114P110-D112 WeakPolarHBondContact CB-OD1 3.34Å; P110-D112 PolarHBondContact O-N 2.74Å; D112-E114 PolarHBondContact O-N 3.24Å
113T90.3Very high91.7Very high0 Ų057.7 Ų57.70%027%0.274CS..  trans-72124.9-176.8-75.60000113.5L109 P110 E117 I118 C142L109-T113 HydrophobicContact CB-CG2 4.29Å; L109-T113 HydrophobicContact CD1-CG2 4.44Å; L109-T113 HydrophobicContact CD2-CG2 4.16Å; P110-T113 WeakPolarHBondContact CB-OG1 3.26Å; P110-T113 WeakPolarHBondContact CD-OG1 3.24Å; P110-T113 WeakPolarHBondContact CG-OG1 3.35Å; P110-T113 VanDerWaalsContact O-CB 3.29Å; P110-T113 WeakPolarHBondContact O-CB 3.46Å; P110-T113 PolarHBondContact O-N 2.96Å; P110-T113 VanDerWaalsContact O-N 3.13Å; P110-T113 PolarHBondContact O-OG1 3.4Å; T113-E117 WeakPolarHBondContact CA-OE2 3.11Å; T113-E117 VanDerWaalsContact CB-OE2 3.26Å; T113-E117 WeakPolarHBondContact CB-OE2 3.3Å; T113-E117 HydrophobicContact CG2-CB 4.13Å; T113-E117 WeakPolarHBondContact CG2-OE2 3.38Å; T113-E117 PolarHBondContact OG1-OE2 2.97Å; T113-I118 HydrophobicContact CG2-CD1 4.29Å; T113-I118 HydrophobicContact CG2-CG1 3.91Å; T113-C142 PolarHBondContact O-SG 3.02Å
114E89.6Confident91.6Very high118 Ų11860.3 Ų60.355%0.55130%0.301SS*.  trans-97.7166.7174.4-64.2-174.6176.200112.5D112 K116 E117 I118D112-E114 PolarHBondContact O-N 3.24Å; E114-K116 PolarHBondContact O-N 3.4Å; E114-K116 VanDerWaalsContact O-N 3.13Å; E114-E117 PolarHBondContact O-N 3.43Å; E114-I118 PolarHBondContact O-N 3.19Å
115K88.9Confident91.5Very high108 Ų10861.4 Ų61.447%0.4731%0.307SS..Hα-helixtrans-53.7-34.2173.3-66.4-173.9-179.8-176.60112.3E117 I118 F119 I132 L134K115-E117 PolarHBondContact O-N 3.34Å; K115-I118 PolarHBondContact O-N 3.18Å; K115-F119 VanDerWaalsContact O-CD2 3.3Å; K115-F119 WeakPolarHBondContact O-CD2 3.37Å; K115-F119 PolarHBondContact O-N 3.01Å; K115-I132 HydrophobicContact CG-CG2 4.07Å; K115-L134 HydrophobicContact CG-CD2 4.49Å
116K91.2Very high91.1Very high144 Ų14465.5 Ų65.563%0.62633%0.328SS*.Hα-helixtrans-61.3-40.9178.3-67.8179.9-179.21740112.4E114 I118 F119 A120E114-K116 PolarHBondContact O-N 3.4Å; E114-K116 VanDerWaalsContact O-N 3.13Å; K116-I118 VanDerWaalsContact C-N 3.34Å; K116-F119 WeakPolarHBondContact O-CB 3.35Å; K116-F119 PolarHBondContact O-N 3.47Å; K116-A120 PolarHBondContact O-N 2.87Å
117E92.7Very high90.7Very high74 Ų7466.6 Ų66.635%0.34633%0.334SS..Hα-helixtrans-68.2-36.3177.4-59.2-167.4145.500111.5T113 E114 K115 A120 F121 I167T113-E117 WeakPolarHBondContact CA-OE2 3.11Å; T113-E117 VanDerWaalsContact CB-OE2 3.26Å; T113-E117 WeakPolarHBondContact CB-OE2 3.3Å; T113-E117 HydrophobicContact CG2-CB 4.13Å; T113-E117 WeakPolarHBondContact CG2-OE2 3.38Å; T113-E117 PolarHBondContact OG1-OE2 2.97Å; E114-E117 PolarHBondContact O-N 3.43Å; K115-E117 PolarHBondContact O-N 3.34Å; E117-A120 PolarHBondContact O-N 2.84Å; E117-F121 WeakPolarHBondContact O-CB 3.49Å; E117-F121 PolarHBondContact O-N 3.27Å; E117-I167 HydrophobicContact CB-CG2 4.13Å; E117-I167 WeakPolarHBondContact OE2-CG2 3.49Å
118I93.1Very high90.4Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-66.3-41.1175-60.9173.3000110.8L106 L109 T113 E114 K115 K116 F121 F122 I132 L134 A146 V148L106-I118 HydrophobicContact CD1-CD1 4.38Å; L106-I118 HydrophobicContact CD1-CG1 4.33Å; L106-I118 HydrophobicContact CD1-CG2 3.8Å; L109-I118 HydrophobicContact CD1-CD1 3.93Å; L109-I118 HydrophobicContact CD2-CG1 4.41Å; T113-I118 HydrophobicContact CG2-CD1 4.29Å; T113-I118 HydrophobicContact CG2-CG1 3.91Å; E114-I118 PolarHBondContact O-N 3.19Å; K115-I118 PolarHBondContact O-N 3.18Å; K116-I118 VanDerWaalsContact C-N 3.34Å; I118-F121 PolarHBondContact O-N 2.77Å; I118-F122 HydrophobicContact CG2-CD2 4.03Å; I118-F122 HydrophobicContact CG2-CE2 4.28Å; I118-F122 PolarHBondContact O-N 3.27Å; I118-I132 HydrophobicContact CB-CD1 4.29Å; I118-I132 HydrophobicContact CD1-CG2 4.02Å; I118-I132 HydrophobicContact CG2-CD1 3.98Å; I118-I132 HydrophobicContact CG2-CG2 4.31Å; I118-L134 HydrophobicContact CD1-CD1 4.04Å; I118-A146 HydrophobicContact CD1-CB 3.85Å; I118-V148 HydrophobicContact CG2-CG2 3.64Å
119F92Very high89.8Confident107 Ų10766.7 Ų66.747%0.46935%0.349SS..Hα-helixtrans-59.5-45.4171.9-90.7-70.7000111.8K115 K116 F122 N123 I127 I132K115-F119 VanDerWaalsContact O-CD2 3.3Å; K115-F119 WeakPolarHBondContact O-CD2 3.37Å; K115-F119 PolarHBondContact O-N 3.01Å; K116-F119 WeakPolarHBondContact O-CB 3.35Å; K116-F119 PolarHBondContact O-N 3.47Å; F119-F122 CarbonylContact O-C 3.58Å; F119-F122 PolarHBondContact O-N 2.78Å; F119-N123 PolarHBondContact O-N 2.69Å; F119-N123 VanDerWaalsContact O-N 3.11Å; F119-I127 HydrophobicContact CD1-CD1 3.79Å; F119-I127 HydrophobicContact CE1-CB 4.02Å; F119-I127 HydrophobicContact CE1-CD1 3.91Å; F119-I127 HydrophobicContact CE1-CG1 4.48Å; F119-I127 HydrophobicContact CE1-CG2 4.26Å; F119-I127 HydrophobicContact CZ-CG2 4.48Å; F119-I132 HydrophobicContact CD1-CD1 4.24Å; F119-I132 HydrophobicContact CD2-CD1 3.43Å; F119-I132 VanDerWaalsContact CD2-CD1 3.43Å; F119-I132 HydrophobicContact CE1-CD1 4.15Å; F119-I132 HydrophobicContact CE2-CD1 3.32Å; F119-I132 HydrophobicContact CE2-CG1 4.25Å; F119-I132 HydrophobicContact CG-CD1 3.89Å; F119-I132 HydrophobicContact CZ-CD1 3.7Å; F119-I132 HydrophobicContact CZ-CG1 4.34Å
120A92.8Very high89Confident70 Ų7074.6 Ų74.658%0.57939%0.391SS*.Hα-helixtrans-65-39.3177.400000112.2K116 E117 F122 N123K116-A120 PolarHBondContact O-N 2.87Å; E117-A120 PolarHBondContact O-N 2.84Å; A120-F122 VanDerWaalsContact C-N 3.29Å; A120-F122 PolarHBondContact O-N 2.82Å; A120-N123 WeakPolarHBondContact O-CB 3.3Å; A120-N123 PolarHBondContact O-N 3.36Å; A120-N123 VanDerWaalsContact O-N 3.13Å
121F94Very high88.6Confident16 Ų1674.9 Ų74.97%0.0740%0.395CS..Hα-helixtrans-60.6-39.6176-177.9-101.3000111.6E117 I118 N123 K162 E165 I167 I172 I174E117-F121 WeakPolarHBondContact O-CB 3.49Å; E117-F121 PolarHBondContact O-N 3.27Å; I118-F121 PolarHBondContact O-N 2.77Å; F121-N123 VanDerWaalsContact C-N 3.34Å; F121-K162 HydrophobicContact CE1-CB 4.09Å; F121-K162 HydrophobicContact CZ-CB 4.03Å; F121-K162 VanDerWaalsContact O-CD 3.28Å; F121-K162 WeakPolarHBondContact O-CD 3.27Å; F121-K162 WeakPolarHBondContact O-CE 3.41Å; F121-K162 PolarHBondContact O-NZ 3.46Å; F121-E165 HydrophobicContact CE2-CB 3.46Å; F121-E165 VanDerWaalsContact CE2-CB 3.46Å; F121-E165 HydrophobicContact CZ-CB 3.75Å; F121-I167 HydrophobicContact CB-CD1 3.61Å; F121-I167 HydrophobicContact CB-CG1 3.88Å; F121-I167 HydrophobicContact CD1-CD1 4.23Å; F121-I167 HydrophobicContact CD2-CD1 3.74Å; F121-I167 HydrophobicContact CD2-CG1 3.29Å; F121-I167 HydrophobicContact CE2-CD1 4.42Å; F121-I167 HydrophobicContact CE2-CG1 3.92Å; F121-I167 HydrophobicContact CG-CD1 3.6Å; F121-I167 HydrophobicContact CG-CG1 3.71Å; F121-I172 HydrophobicContact CE1-CG2 4.49Å; F121-I172 HydrophobicContact CE2-CB 4.42Å; F121-I172 HydrophobicContact CE2-CG1 4.26Å; F121-I172 HydrophobicContact CZ-CB 4.04Å; F121-I172 HydrophobicContact CZ-CG1 4.35Å; F121-I172 HydrophobicContact CZ-CG2 4.4Å; F121-I174 HydrophobicContact CE1-CD1 3.75Å; F121-I174 HydrophobicContact CZ-CD1 4.11Å
122F93.7Very high88.6Confident2 Ų267.8 Ų67.81%0.00937%0.367CS..THydrogen-bonded Turntrans-95.425.3175.5-69.7-56.3000114.2V104 L106 I118 F119 A120 G124 L125 I127 V148 F150 A159 K162 I174V104-F122 HydrophobicContact CG2-CE2 4.4Å; V104-F122 HydrophobicContact CG2-CZ 4.12Å; L106-F122 HydrophobicContact CD1-CE2 3.9Å; L106-F122 HydrophobicContact CD2-CE2 3.86Å; L106-F122 HydrophobicContact CD2-CZ 3.67Å; L106-F122 HydrophobicContact CG-CE2 4.3Å; I118-F122 HydrophobicContact CG2-CD2 4.03Å; I118-F122 HydrophobicContact CG2-CE2 4.28Å; I118-F122 PolarHBondContact O-N 3.27Å; F119-F122 CarbonylContact O-C 3.58Å; F119-F122 PolarHBondContact O-N 2.78Å; A120-F122 VanDerWaalsContact C-N 3.29Å; A120-F122 PolarHBondContact O-N 2.82Å; F122-G124 PolarHBondContact O-N 3.12Å; F122-L125 HydrophobicContact CB-CB 4.45Å; F122-L125 HydrophobicContact CB-CD1 4.23Å; F122-L125 HydrophobicContact CD1-CD1 3.69Å; F122-L125 HydrophobicContact CE1-CD1 4.48Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 WeakPolarHBondContact O-CB 3.22Å; F122-L125 PolarHBondContact O-N 3.44Å; F122-I127 HydrophobicContact CB-CD1 4.06Å; F122-I127 HydrophobicContact CD2-CD1 4.44Å; F122-V148 HydrophobicContact CD2-CG1 4.29Å; F122-V148 HydrophobicContact CD2-CG2 4.34Å; F122-V148 HydrophobicContact CE2-CB 4.25Å; F122-V148 HydrophobicContact CE2-CG1 4.34Å; F122-V148 HydrophobicContact CE2-CG2 3.93Å; F122-F150 HydrophobicContact CB-CE1 4.38Å; F122-F150 HydrophobicContact CD1-CE1 4.49Å; F122-F150 AromaticContact CD1-CZ 3.98Å; F122-F150 HydrophobicContact CD1-CZ 3.98Å; F122-F150 HydrophobicContact CD2-CZ 4.06Å; F122-F150 HydrophobicContact CE1-CZ 4.08Å; F122-F150 HydrophobicContact CE2-CZ 4.11Å; F122-F150 HydrophobicContact CG-CE1 4.27Å; F122-F150 AromaticContact CG-CZ 3.96Å; F122-F150 HydrophobicContact CG-CZ 3.96Å; F122-F150 HydrophobicContact CZ-CZ 4.11Å; F122-A159 HydrophobicContact CD1-CB 4.11Å; F122-A159 HydrophobicContact CE1-CB 3.62Å; F122-A159 HydrophobicContact CZ-CB 4.27Å; F122-K162 HydrophobicContact CD1-CD 4.15Å; F122-I174 HydrophobicContact CE1-CD1 4.07Å; F122-I174 HydrophobicContact CZ-CD1 4.11Å
123N89Confident88.5Confident131 Ų13163.3 Ų63.370%0.70135%0.347SS*.THydrogen-bonded Turntrans-51.7133178-172.420.8000111.4F119 A120 F121 K162F119-N123 PolarHBondContact O-N 2.69Å; F119-N123 VanDerWaalsContact O-N 3.11Å; A120-N123 WeakPolarHBondContact O-CB 3.3Å; A120-N123 PolarHBondContact O-N 3.36Å; A120-N123 VanDerWaalsContact O-N 3.13Å; F121-N123 VanDerWaalsContact C-N 3.34Å; N123-K162 PolarHBondContact O-NZ 2.83Å
124G87Confident88.5Confident57 Ų5764.9 Ų64.959%0.58836%0.356SS*.THydrogen-bonded Turntrans87.4-1.6-174.800000115.8F122F122-G124 PolarHBondContact O-N 3.12Å
125L91.5Very high88.5Confident23 Ų2359.6 Ų59.612%0.1233%0.331CS..SBendtrans-108.6139.8176.2-51.9-176.3000111F122 I127 F150 R158 A159F122-L125 HydrophobicContact CB-CB 4.45Å; F122-L125 HydrophobicContact CB-CD1 4.23Å; F122-L125 HydrophobicContact CD1-CD1 3.69Å; F122-L125 HydrophobicContact CE1-CD1 4.48Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 WeakPolarHBondContact O-CB 3.22Å; F122-L125 PolarHBondContact O-N 3.44Å; L125-I127 PolarHBondContact O-N 2.91Å; L125-F150 HydrophobicContact CB-CD1 4.1Å; L125-F150 HydrophobicContact CB-CE1 3.74Å; L125-F150 HydrophobicContact CD1-CE1 3.92Å; L125-F150 HydrophobicContact CD1-CZ 4.23Å; L125-R158 HydrophobicContact CD1-CB 4.39Å; L125-R158 HydrophobicContact CD2-CB 3.54Å; L125-R158 HydrophobicContact CD2-CG 4.38Å; L125-R158 VanDerWaalsContact CD2-CZ 3.44Å; L125-A159 HydrophobicContact CD1-CB 3.76Å
126E86.5Confident88.4Confident127 Ų12756.9 Ų56.959%0.59332%0.323SS*.  trans-83.2104.1179.7-69.5-175.5178.800111.1F150 T151E126-F150 WeakPolarHBondContact O-CA 3.44Å; E126-F150 WeakPolarHBondContact O-CD1 3.39Å; E126-T151 HydrophobicContact CB-CG2 4.34Å; E126-T151 WeakPolarHBondContact CB-OG1 3.41Å; E126-T151 PolarHBondContact O-N 3.26Å; E126-T151 PolarHBondContact O-OG1 2.98Å; E126-T151 PolarHBondContact OE2-OG1 3.4Å
127I88.1Confident87.9Confident24 Ų2451.4 Ų51.412%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-86.7136.1173.5-60.3175.9000108.6F119 F122 L125 I132 V148 Q149 F150F119-I127 HydrophobicContact CD1-CD1 3.79Å; F119-I127 HydrophobicContact CE1-CB 4.02Å; F119-I127 HydrophobicContact CE1-CD1 3.91Å; F119-I127 HydrophobicContact CE1-CG1 4.48Å; F119-I127 HydrophobicContact CE1-CG2 4.26Å; F119-I127 HydrophobicContact CZ-CG2 4.48Å; F122-I127 HydrophobicContact CB-CD1 4.06Å; F122-I127 HydrophobicContact CD2-CD1 4.44Å; L125-I127 PolarHBondContact O-N 2.91Å; I127-I132 HydrophobicContact CD1-CD1 4.1Å; I127-I132 HydrophobicContact CD1-CG1 4.48Å; I127-I132 HydrophobicContact CG2-CD1 4.42Å; I127-I132 HydrophobicContact CG2-CG1 3.88Å; I127-V148 HydrophobicContact CD1-CG1 3.79Å; I127-V148 HydrophobicContact CG1-CG1 3.87Å; I127-V148 HydrophobicContact CG2-CG1 3.91Å; I127-Q149 WeakPolarHBondContact CA-O 3.23Å; I127-Q149 WeakPolarHBondContact CG2-O 3.43Å; I127-F150 HydrophobicContact CD1-CE1 4.43Å; I127-F150 HydrophobicContact CG1-CD1 3.95Å; I127-F150 HydrophobicContact CG1-CE1 3.7Å
128A85.2Confident87.3Confident10 Ų1051.3 Ų51.38%0.08330%0.301CS..EExtended strand (participates in β ladder)trans-61.5151.3177.300000111.1N130 G131 Q149 T151A128-N130 PolarHBondContact O-N 2.95Å; A128-G131 WeakPolarHBondContact O-CA 3.41Å; A128-G131 PolarHBondContact O-N 3.31Å; A128-Q149 HydrophobicContact CB-CB 4.22Å; A128-Q149 HydrophobicContact CB-CG 3.83Å; A128-Q149 PolarHBondContact N-O 3.48Å; A128-T151 HydrophobicContact CB-CG2 4.27Å
129P76.9Confident86.6Confident118 Ų11857 Ų5777%0.76633%0.329SS*.EExtended strand (participates in β ladder)trans-55130.4172.2-21.831.9000110.4G131P129-G131 PolarHBondContact O-N 2.94Å; P129-G131 VanDerWaalsContact O-N 3.11Å
130N76.4Confident86Confident166 Ų16654.2 Ų54.289%0.88833%0.33SS*.EExtended strand (participates in β ladder)trans56.817.7-172.3-59-39.9000114.9A128 I132A128-N130 PolarHBondContact O-N 2.95Å; N130-I132 PolarHBondContact O-N 3.05Å; N130-I132 VanDerWaalsContact O-N 3.12Å
131G83.7Confident85.5Confident9 Ų957.4 Ų57.49%0.09333%0.327CS..EExtended strand (participates in β ladder)trans-72.1-1.3-175.500000115A128 P129 V148 Q149A128-G131 WeakPolarHBondContact O-CA 3.41Å; A128-G131 PolarHBondContact O-N 3.31Å; P129-G131 PolarHBondContact O-N 2.94Å; P129-G131 VanDerWaalsContact O-N 3.11Å; G131-V148 CarbonylContact O-C 3.51Å; G131-V148 VanDerWaalsContact O-CA 3.26Å; G131-V148 WeakPolarHBondContact O-CA 3.17Å; G131-Q149 PolarHBondContact O-N 3.21Å
132I88.7Confident85.2Confident7 Ų757.4 Ų57.44%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-104.6106.7178.5-53.4-175.6000110.5K115 I118 F119 I127 N130 Y147 V148K115-I132 HydrophobicContact CG-CG2 4.07Å; I118-I132 HydrophobicContact CB-CD1 4.29Å; I118-I132 HydrophobicContact CD1-CG2 4.02Å; I118-I132 HydrophobicContact CG2-CD1 3.98Å; I118-I132 HydrophobicContact CG2-CG2 4.31Å; F119-I132 HydrophobicContact CD1-CD1 4.24Å; F119-I132 HydrophobicContact CD2-CD1 3.43Å; F119-I132 VanDerWaalsContact CD2-CD1 3.43Å; F119-I132 HydrophobicContact CE1-CD1 4.15Å; F119-I132 HydrophobicContact CE2-CD1 3.32Å; F119-I132 HydrophobicContact CE2-CG1 4.25Å; F119-I132 HydrophobicContact CG-CD1 3.89Å; F119-I132 HydrophobicContact CZ-CD1 3.7Å; F119-I132 HydrophobicContact CZ-CG1 4.34Å; I127-I132 HydrophobicContact CD1-CD1 4.1Å; I127-I132 HydrophobicContact CD1-CG1 4.48Å; I127-I132 HydrophobicContact CG2-CD1 4.42Å; I127-I132 HydrophobicContact CG2-CG1 3.88Å; N130-I132 PolarHBondContact O-N 3.05Å; N130-I132 VanDerWaalsContact O-N 3.12Å; I132-Y147 CarbonylContact C-O 3.57Å; I132-Y147 WeakPolarHBondContact CA-O 3.37Å; I132-V148 HydrophobicContact CG1-CG1 4.39Å; I132-V148 HydrophobicContact CG1-CG2 4.36Å; I132-V148 HydrophobicContact CG2-CG2 4.48Å
133G87.7Confident84.9Confident18 Ų1859.6 Ų59.619%0.18634%0.342CS..EExtended strand (participates in β ladder)trans-98.488171.100000111.1A146 Y147G133-A146 CarbonylContact O-C 3.58Å; G133-A146 VanDerWaalsContact O-CA 3.28Å; G133-A146 WeakPolarHBondContact O-CA 3.2Å; G133-Y147 PolarHBondContact N-O 2.82Å; G133-Y147 PolarHBondContact O-N 2.83Å
134L89.5Confident85Confident34 Ų3453.6 Ų53.618%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-77.6124.7173.6-177.261.9000109.6L109 K115 I118 V136 C142 A146L109-L134 HydrophobicContact CD1-CD1 3.96Å; K115-L134 HydrophobicContact CG-CD2 4.49Å; I118-L134 HydrophobicContact CD1-CD1 4.04Å; L134-V136 HydrophobicContact CG-CG1 4.44Å; L134-C142 HydrophobicContact CD1-CB 4.43Å; L134-A146 HydrophobicContact CD1-CB 3.91Å
135L88.9Confident85.3Confident6 Ų652.9 Ų52.93%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-82.6128.2176.4-85.773.7000110.1C142 T143 E145 Y147 T185 I186 Q189L135-C142 WeakPolarHBondContact O-CA 3.41Å; L135-T143 HydrophobicContact CB-CG2 4.32Å; L135-T143 WeakPolarHBondContact CB-OG1 3.29Å; L135-T143 PolarHBondContact O-N 3.49Å; L135-T143 PolarHBondContact O-OG1 2.91Å; L135-E145 WeakPolarHBondContact CB-O 3.15Å; L135-E145 PolarHBondContact N-O 2.82Å; L135-Y147 HydrophobicContact CD1-CD2 3.72Å; L135-Y147 HydrophobicContact CD1-CE2 3.81Å; L135-T185 HydrophobicContact CD2-CG2 3.66Å; L135-I186 HydrophobicContact CD1-CG1 3.85Å; L135-Q189 HydrophobicContact CB-CG 4.39Å; L135-Q189 HydrophobicContact CD2-CB 4.02Å; L135-Q189 HydrophobicContact CD2-CG 4.2Å; L135-Q189 HydrophobicContact CG-CB 4.28Å; L135-Q189 HydrophobicContact CG-CG 4.27Å
136V87Confident85.4Confident51 Ų5151.8 Ų51.831%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-122.7145.7177.9-62.90000110.2L134 R141 Q189 N193L134-V136 HydrophobicContact CG-CG1 4.44Å; V136-R141 CarbonylContact C-O 3.59Å; V136-R141 VanDerWaalsContact CA-O 3.26Å; V136-R141 WeakPolarHBondContact CA-O 3.43Å; V136-Q189 WeakPolarHBondContact O-CG 3.31Å; V136-Q189 PolarHBondContact O-NE2 3.41Å; V136-N193 PolarHBondContact O-ND2 3.27Å
137D82.1Confident85.7Confident29 Ų2946 Ų4616%0.15526%0.26CS..  trans-76.9176.3172-170.319.2000110.8M139 G140 R141 T143 N193 R196D137-M139 PolarHBondContact O-N 2.91Å; D137-G140 PolarHBondContact O-N 2.95Å; D137-R141 PolarHBondContact N-O 2.98Å; D137-R141 IonicContact OD2-NH2 2.67Å; D137-T143 HydrophobicContact CB-CG2 4.32Å; D137-N193 VanDerWaalsContact C-CG 3.49Å; D137-N193 VanDerWaalsContact C-OD1 3.26Å; D137-N193 WeakPolarHBondContact CA-OD1 3.46Å; D137-N193 PolarHBondContact O-ND2 3.37Å; D137-R196 IonicContact OD1-NH1 3.76Å
138H79Confident86Confident73 Ų7344.9 Ų44.934%0.33825%0.254SS..THydrogen-bonded Turntrans-56.2-22.817965.6-72.5000114.3N193 R196H138-N193 HydrophobicContact CB-CB 4.17Å; H138-N193 VanDerWaalsContact N-CG 3.33Å; H138-N193 PolarHBondContact N-OD1 3.48Å; H138-R196 HydrophobicContact CB-CB 4.17Å
139M78.5Confident86.3Confident119 Ų11947.4 Ų47.459%0.58627%0.265SS*.THydrogen-bonded Turntrans-88.64174.7-60.1179.367.100113.7D137 R141D137-M139 PolarHBondContact O-N 2.91Å; M139-R141 HydrophobicContact CB-CG 4.28Å; M139-R141 PolarHBondContact O-N 2.73Å; M139-R141 VanDerWaalsContact SD-CZ 3.56Å; M139-R141 PolarHBondContact SD-NH2 3.22Å
140G80.6Confident87Confident49 Ų4942 Ų4251%0.50523%0.229SC..SBendtrans76.33-174.800000114.9D137D137-G140 PolarHBondContact O-N 2.95Å
141R81.5Confident87.5Confident137 Ų13737.3 Ų37.352%0.51721%0.206SC..  trans-77.1139178.3-63.1-179-62.5176.51.9110.8V136 D137 M139 T143V136-R141 CarbonylContact C-O 3.59Å; V136-R141 VanDerWaalsContact CA-O 3.26Å; V136-R141 WeakPolarHBondContact CA-O 3.43Å; D137-R141 PolarHBondContact N-O 2.98Å; D137-R141 IonicContact OD2-NH2 2.67Å; M139-R141 HydrophobicContact CB-CG 4.28Å; M139-R141 PolarHBondContact O-N 2.73Å; M139-R141 VanDerWaalsContact SD-CZ 3.56Å; M139-R141 PolarHBondContact SD-NH2 3.22Å; R141-T143 PolarHBondContact O-N 3.5Å
142C87.4Confident87.5Confident16 Ų1638.5 Ų38.511%0.10821%0.213CC..EExtended strand (participates in β ladder)trans-61.6132.5178.1-56.30000110.3Y111 T113 L134 L135 G144Y111-C142 VanDerWaalsContact CD1-O 3.26Å; Y111-C142 WeakPolarHBondContact CD1-O 3.48Å; T113-C142 PolarHBondContact O-SG 3.02Å; L134-C142 HydrophobicContact CD1-CB 4.43Å; L135-C142 WeakPolarHBondContact O-CA 3.41Å; C142-G144 PolarHBondContact O-N 3.14Å
143T87.7Confident87.4Confident47 Ų4741.4 Ų41.429%0.28823%0.234SC..EExtended strand (participates in β ladder)trans-78-5.5179.561.70000112.8L135 D137 R141L135-T143 HydrophobicContact CB-CG2 4.32Å; L135-T143 WeakPolarHBondContact CB-OG1 3.29Å; L135-T143 PolarHBondContact O-N 3.49Å; L135-T143 PolarHBondContact O-OG1 2.91Å; D137-T143 HydrophobicContact CB-CG2 4.32Å; R141-T143 PolarHBondContact O-N 3.5Å
144G90.6Very high87.4Confident5 Ų546.5 Ų46.55%0.05225%0.253CS..EExtended strand (participates in β ladder)trans87.85.5-172.100000113.7R107 G108 L109 C142R107-G144 CarbonylContact C-O 3.47Å; G108-G144 PolarHBondContact N-O 3.25Å; L109-G144 PolarHBondContact N-O 2.85Å; L109-G144 WeakPolarHBondContact O-CA 3.31Å; C142-G144 PolarHBondContact O-N 3.14Å
145E93Very high87.5Confident42 Ų4245 Ų4520%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-124.1144.3178.1-60.1-168.7152.100111.5R105 L106 R107 L135R105-E145 IonicContact NH1-OE1 2.69Å; L106-E145 VanDerWaalsContact O-CA 3.3Å; L106-E145 WeakPolarHBondContact O-CA 3.5Å; R107-E145 HydrophobicContact CG-CG 4.43Å; R107-E145 IonicContact CZ-OE1 2.64Å; R107-E145 IonicContact NH1-OE1 3.74Å; R107-E145 PolarHBondContact NH1-OE1 3.37Å; L135-E145 WeakPolarHBondContact CB-O 3.15Å; L135-E145 PolarHBondContact N-O 2.82Å
146A94.2Very high87.6Confident0 Ų045.2 Ų45.20%025%0.247CC..EExtended strand (participates in β ladder)trans-149.7160.8173.300000111R105 L106 L109 I118 G133 L134R105-A146 CarbonylContact C-O 3.59Å; R105-A146 WeakPolarHBondContact CA-O 3.35Å; L106-A146 HydrophobicContact CB-CB 4.31Å; L106-A146 HydrophobicContact CD1-CB 4.4Å; L106-A146 PolarHBondContact N-O 2.99Å; L106-A146 PolarHBondContact O-N 2.99Å; L106-A146 VanDerWaalsContact O-N 3.08Å; L109-A146 HydrophobicContact CD1-CB 3.49Å; L109-A146 VanDerWaalsContact CD1-CB 3.49Å; I118-A146 HydrophobicContact CD1-CB 3.85Å; G133-A146 CarbonylContact O-C 3.58Å; G133-A146 VanDerWaalsContact O-CA 3.28Å; G133-A146 WeakPolarHBondContact O-CA 3.2Å; L134-A146 HydrophobicContact CD1-CB 3.91Å
147Y94.1Very high87.7Confident6 Ų645.1 Ų45.12%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-115.9139.7170.8-67.5-91.1000109.9V103 V104 R105 I132 G133 L135 S177 E181 A182 T185 I186V103-Y147 HydrophobicContact CG1-CD1 4.26Å; V104-Y147 CarbonylContact O-C 3.48Å; V104-Y147 VanDerWaalsContact O-CA 3.32Å; V104-Y147 WeakPolarHBondContact O-CA 3.37Å; R105-Y147 HydrophobicContact CB-CD1 3.92Å; R105-Y147 HydrophobicContact CB-CE1 3.6Å; R105-Y147 VanDerWaalsContact CD-OH 3.26Å; R105-Y147 WeakPolarHBondContact CD-OH 3.43Å; R105-Y147 HydrophobicContact CG-CD1 4.17Å; R105-Y147 HydrophobicContact CG-CE1 3.6Å; R105-Y147 HydrophobicContact CG-CE2 4.43Å; I132-Y147 CarbonylContact C-O 3.57Å; I132-Y147 WeakPolarHBondContact CA-O 3.37Å; G133-Y147 PolarHBondContact N-O 2.82Å; G133-Y147 PolarHBondContact O-N 2.83Å; L135-Y147 HydrophobicContact CD1-CD2 3.72Å; L135-Y147 HydrophobicContact CD1-CE2 3.81Å; Y147-S177 WeakPolarHBondContact CE1-OG 3.44Å; Y147-E181 HydrophobicContact CE1-CG 4.38Å; Y147-A182 HydrophobicContact CD1-CB 3.46Å; Y147-A182 VanDerWaalsContact CD1-CB 3.46Å; Y147-A182 HydrophobicContact CD2-CB 4.15Å; Y147-A182 HydrophobicContact CE1-CB 4.03Å; Y147-A182 HydrophobicContact CG-CB 3.51Å; Y147-T185 HydrophobicContact CE2-CG2 3.83Å; Y147-T185 WeakPolarHBondContact OH-CB 3.46Å; Y147-T185 WeakPolarHBondContact OH-CG2 3.24Å; Y147-T185 PolarHBondContact OH-OG1 2.9Å; Y147-T185 VanDerWaalsContact OH-OG1 3.12Å; Y147-I186 HydrophobicContact CD2-CD1 4.44Å; Y147-I186 HydrophobicContact CD2-CG1 4.35Å
148V93.6Very high88.3Confident0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-128.4121.6177.1-176.80000109.3V103 V104 L106 I118 F122 I127 G131 I132 F150V103-V148 CarbonylContact C-O 3.43Å; V103-V148 WeakPolarHBondContact CA-O 3.23Å; V104-V148 HydrophobicContact CG2-CB 3.84Å; V104-V148 PolarHBondContact N-O 2.99Å; V104-V148 PolarHBondContact O-N 3.47Å; L106-V148 HydrophobicContact CD1-CG2 3.99Å; L106-V148 HydrophobicContact CG-CG2 4.35Å; I118-V148 HydrophobicContact CG2-CG2 3.64Å; F122-V148 HydrophobicContact CD2-CG1 4.29Å; F122-V148 HydrophobicContact CD2-CG2 4.34Å; F122-V148 HydrophobicContact CE2-CB 4.25Å; F122-V148 HydrophobicContact CE2-CG1 4.34Å; F122-V148 HydrophobicContact CE2-CG2 3.93Å; I127-V148 HydrophobicContact CD1-CG1 3.79Å; I127-V148 HydrophobicContact CG1-CG1 3.87Å; I127-V148 HydrophobicContact CG2-CG1 3.91Å; G131-V148 CarbonylContact O-C 3.51Å; G131-V148 VanDerWaalsContact O-CA 3.26Å; G131-V148 WeakPolarHBondContact O-CA 3.17Å; I132-V148 HydrophobicContact CG1-CG1 4.39Å; I132-V148 HydrophobicContact CG1-CG2 4.36Å; I132-V148 HydrophobicContact CG2-CG2 4.48Å; V148-F150 HydrophobicContact CB-CE2 4.42Å; V148-F150 HydrophobicContact CB-CZ 4.44Å; V148-F150 HydrophobicContact CG1-CE1 4.08Å; V148-F150 HydrophobicContact CG1-CE2 4.04Å; V148-F150 HydrophobicContact CG1-CZ 3.75Å
149Q90.3Very high89Confident64 Ų6444.6 Ų44.630%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-95.4124.8172.9-178.8-173.310.200109.7V103 I127 A128 G131 M179V103-Q149 HydrophobicContact CG2-CB 4.2Å; V103-Q149 HydrophobicContact CG2-CG 4.2Å; I127-Q149 WeakPolarHBondContact CA-O 3.23Å; I127-Q149 WeakPolarHBondContact CG2-O 3.43Å; A128-Q149 HydrophobicContact CB-CB 4.22Å; A128-Q149 HydrophobicContact CB-CG 3.83Å; A128-Q149 PolarHBondContact N-O 3.48Å; G131-Q149 PolarHBondContact O-N 3.21Å; Q149-M179 HydrophobicContact CB-CE 3.93Å; Q149-M179 HydrophobicContact CG-CE 3.71Å
150F92Very high89.6Confident3 Ų342.4 Ų42.41%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-95.2156.8171.1-61.5-78.6000111.3H102 V104 F122 L125 E126 I127 V148 S152 L156 A159H102-F150 HydrophobicContact CB-CB 4.02Å; H102-F150 WeakPolarHBondContact CB-O 3.44Å; H102-F150 PolarHBondContact O-N 3.44Å; V104-F150 HydrophobicContact CB-CE2 4.48Å; V104-F150 HydrophobicContact CG1-CE2 3.99Å; V104-F150 HydrophobicContact CG2-CE2 3.69Å; V104-F150 HydrophobicContact CG2-CZ 4.38Å; F122-F150 HydrophobicContact CB-CE1 4.38Å; F122-F150 HydrophobicContact CD1-CE1 4.49Å; F122-F150 AromaticContact CD1-CZ 3.98Å; F122-F150 HydrophobicContact CD1-CZ 3.98Å; F122-F150 HydrophobicContact CD2-CZ 4.06Å; F122-F150 HydrophobicContact CE1-CZ 4.08Å; F122-F150 HydrophobicContact CE2-CZ 4.11Å; F122-F150 HydrophobicContact CG-CE1 4.27Å; F122-F150 AromaticContact CG-CZ 3.96Å; F122-F150 HydrophobicContact CG-CZ 3.96Å; F122-F150 HydrophobicContact CZ-CZ 4.11Å; L125-F150 HydrophobicContact CB-CD1 4.1Å; L125-F150 HydrophobicContact CB-CE1 3.74Å; L125-F150 HydrophobicContact CD1-CE1 3.92Å; L125-F150 HydrophobicContact CD1-CZ 4.23Å; E126-F150 WeakPolarHBondContact O-CA 3.44Å; E126-F150 WeakPolarHBondContact O-CD1 3.39Å; I127-F150 HydrophobicContact CD1-CE1 4.43Å; I127-F150 HydrophobicContact CG1-CD1 3.95Å; I127-F150 HydrophobicContact CG1-CE1 3.7Å; V148-F150 HydrophobicContact CB-CE2 4.42Å; V148-F150 HydrophobicContact CB-CZ 4.44Å; V148-F150 HydrophobicContact CG1-CE1 4.08Å; V148-F150 HydrophobicContact CG1-CE2 4.04Å; V148-F150 HydrophobicContact CG1-CZ 3.75Å; F150-S152 VanDerWaalsContact C-N 3.34Å; F150-L156 HydrophobicContact CD2-CD1 4.36Å; F150-A159 HydrophobicContact CD2-CB 4.29Å; F150-A159 HydrophobicContact CE1-CB 4.25Å; F150-A159 HydrophobicContact CE2-CB 3.4Å; F150-A159 HydrophobicContact CZ-CB 3.39Å
151T86.8Confident90.2Very high68 Ų6847.2 Ų47.242%0.41724%0.241SC..SBendtrans-77.2-23.2175.758.60000112.5E126 A128E126-T151 HydrophobicContact CB-CG2 4.34Å; E126-T151 WeakPolarHBondContact CB-OG1 3.41Å; E126-T151 PolarHBondContact O-N 3.26Å; E126-T151 PolarHBondContact O-OG1 2.98Å; E126-T151 PolarHBondContact OE2-OG1 3.4Å; A128-T151 HydrophobicContact CB-CG2 4.27Å
152S84.3Confident90.7Very high34 Ų3442.7 Ų42.724%0.23823%0.225CC..SBendtrans-138.5150.9-16954.20000113.5H102 F150 E154 S155 L156H102-S152 VanDerWaalsContact CD2-CA 3.49Å; H102-S152 WeakPolarHBondContact CD2-CA 3.13Å; H102-S152 VanDerWaalsContact CG-C 3.5Å; F150-S152 VanDerWaalsContact C-N 3.34Å; S152-E154 VanDerWaalsContact C-N 3.25Å; S152-E154 PolarHBondContact O-N 3.42Å; S152-S155 PolarHBondContact O-N 3.42Å; S152-S155 WeakPolarHBondContact OG-CB 3.33Å; S152-S155 PolarHBondContact OG-N 2.98Å; S152-S155 PolarHBondContact OG-OG 2.98Å; S152-L156 PolarHBondContact O-N 3.2Å; S152-L156 VanDerWaalsContact O-N 3.14Å
153S86.5Confident90.8Very high69 Ų6945.9 Ų45.948%0.48324%0.238SC..Hα-helixtrans-65-30.4175.755.90000112.8H102 L156 A157H102-S153 PolarHBondContact CD2-N 3.31Å; H102-S153 VanDerWaalsContact CD2-N 3.34Å; H102-S153 VanDerWaalsContact CE1-CA 3.43Å; H102-S153 WeakPolarHBondContact CE1-CA 3.35Å; H102-S153 WeakPolarHBondContact CE1-CB 3.17Å; H102-S153 PolarHBondContact CE1-N 3.31Å; H102-S153 WeakPolarHBondContact ND1-CA 3.12Å; H102-S153 PolarHBondContact NE2-N 2.92Å; H102-S153 VanDerWaalsContact NE2-N 3.18Å; S153-L156 WeakPolarHBondContact O-CB 3.33Å; S153-L156 PolarHBondContact O-N 3.35Å; S153-A157 PolarHBondContact O-N 3.21Å
154E87.9Confident91Very high125 Ų12549.1 Ų49.158%0.58425%0.251SS*.Hα-helixtrans-66.4-43176-173.7-175.8161.300110.9S152 L156 A157 R158S152-E154 VanDerWaalsContact C-N 3.25Å; S152-E154 PolarHBondContact O-N 3.42Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.02Å; E154-A157 PolarHBondContact O-N 3.11Å; E154-R158 WeakPolarHBondContact O-CG 3.3Å; E154-R158 PolarHBondContact O-N 3.31Å
155S91.7Very high91.1Very high1 Ų153.2 Ų53.21%0.00727%0.269CS..Hα-helixtrans-64.3-37.6174.9-630000111.7S152 R158 A159S152-S155 PolarHBondContact O-N 3.42Å; S152-S155 WeakPolarHBondContact OG-CB 3.33Å; S152-S155 PolarHBondContact OG-N 2.98Å; S152-S155 PolarHBondContact OG-OG 2.98Å; S155-R158 PolarHBondContact OG-NH2 2.76Å; S155-A159 VanDerWaalsContact O-CB 3.23Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.22Å
156L90.6Very high91Very high12 Ų1256.8 Ų56.86%0.06328%0.284CS..Hα-helixtrans-59.7-45.6171.3-179.772.7000112.4H102 V104 F150 S152 S153 E154 A159 K160H102-L156 HydrophobicContact CB-CB 4.16Å; V104-L156 HydrophobicContact CG1-CD1 3.38Å; F150-L156 HydrophobicContact CD2-CD1 4.36Å; S152-L156 PolarHBondContact O-N 3.2Å; S152-L156 VanDerWaalsContact O-N 3.14Å; S153-L156 WeakPolarHBondContact O-CB 3.33Å; S153-L156 PolarHBondContact O-N 3.35Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.02Å; L156-A159 WeakPolarHBondContact O-CB 3.49Å; L156-A159 PolarHBondContact O-N 2.94Å; L156-K160 WeakPolarHBondContact O-CG 3.34Å; L156-K160 PolarHBondContact O-N 3.46Å; L156-K160 VanDerWaalsContact O-N 3.1Å
157A90.3Very high90.9Very high49 Ų4957.2 Ų57.241%0.40529%0.286SS..Hα-helixtrans-62.7-48.2-179.900000111.2S153 E154 A159 K160 E161S153-A157 PolarHBondContact O-N 3.21Å; E154-A157 PolarHBondContact O-N 3.11Å; A157-A159 VanDerWaalsContact C-N 3.3Å; A157-A159 PolarHBondContact O-N 2.99Å; A157-K160 WeakPolarHBondContact O-CB 3.32Å; A157-K160 PolarHBondContact O-N 3.19Å; A157-K160 VanDerWaalsContact O-N 3.15Å; A157-E161 PolarHBondContact O-N 3.49Å
158R93.2Very high90.8Very high91 Ų9160.1 Ų60.134%0.34332%0.317SS..Hα-helixtrans-63.8-33.8175.4-66.1-175-65.41663.8112.6L125 E154 S155 K160 E161L125-R158 HydrophobicContact CD1-CB 4.39Å; L125-R158 HydrophobicContact CD2-CB 3.54Å; L125-R158 HydrophobicContact CD2-CG 4.38Å; L125-R158 VanDerWaalsContact CD2-CZ 3.44Å; E154-R158 WeakPolarHBondContact O-CG 3.3Å; E154-R158 PolarHBondContact O-N 3.31Å; S155-R158 PolarHBondContact OG-NH2 2.76Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 2.77Å; R158-E161 WeakPolarHBondContact O-CB 3.22Å; R158-E161 PolarHBondContact O-N 3.11Å
159A93.6Very high90.6Very high0 Ų067 Ų670%035%0.349CS..Hα-helixtrans-63.6-37.5174.400000112.1V104 F122 L125 F150 S155 L156 A157 E161 K162 I174V104-A159 HydrophobicContact CG1-CB 4.38Å; F122-A159 HydrophobicContact CD1-CB 4.11Å; F122-A159 HydrophobicContact CE1-CB 3.62Å; F122-A159 HydrophobicContact CZ-CB 4.27Å; L125-A159 HydrophobicContact CD1-CB 3.76Å; F150-A159 HydrophobicContact CD2-CB 4.29Å; F150-A159 HydrophobicContact CE1-CB 4.25Å; F150-A159 HydrophobicContact CE2-CB 3.4Å; F150-A159 HydrophobicContact CZ-CB 3.39Å; S155-A159 VanDerWaalsContact O-CB 3.23Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.22Å; L156-A159 WeakPolarHBondContact O-CB 3.49Å; L156-A159 PolarHBondContact O-N 2.94Å; A157-A159 VanDerWaalsContact C-N 3.3Å; A157-A159 PolarHBondContact O-N 2.99Å; A159-E161 VanDerWaalsContact C-N 3.28Å; A159-E161 PolarHBondContact O-N 3.14Å; A159-K162 PolarHBondContact O-N 3.38Å; A159-I174 WeakPolarHBondContact O-CD1 3.19Å
160K91.4Very high90.7Very high72 Ų7268 Ų6831%0.31335%0.351SS..Hα-helixtrans-67.2-28.9176-68.8178.2-171.21790112.7L156 A157 R158 K162 H163 E176L156-K160 WeakPolarHBondContact O-CG 3.34Å; L156-K160 PolarHBondContact O-N 3.46Å; L156-K160 VanDerWaalsContact O-N 3.1Å; A157-K160 WeakPolarHBondContact O-CB 3.32Å; A157-K160 PolarHBondContact O-N 3.19Å; A157-K160 VanDerWaalsContact O-N 3.15Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 2.77Å; K160-K162 PolarHBondContact O-N 2.84Å; K160-H163 WeakPolarHBondContact O-CB 3.37Å; K160-H163 PolarHBondContact O-N 3.21Å; K160-E176 IonicContact NZ-OE1 3.7Å; K160-E176 PolarHBondContact NZ-OE1 2.93Å; K160-E176 IonicContact NZ-OE2 3.7Å; K160-E176 PolarHBondContact NZ-OE2 3.41Å
161E92.8Very high90.8Very high151 Ų15174.3 Ų74.371%0.70638%0.375SS*.Hα-helixtrans-67.3-25.9177.1-67.1171.7-175.100112.4A157 R158 A159 H163A157-E161 PolarHBondContact O-N 3.49Å; R158-E161 WeakPolarHBondContact O-CB 3.22Å; R158-E161 PolarHBondContact O-N 3.11Å; A159-E161 VanDerWaalsContact C-N 3.28Å; A159-E161 PolarHBondContact O-N 3.14Å; E161-H163 PolarHBondContact O-N 3.39Å; E161-H163 VanDerWaalsContact O-N 3.15Å
162K92Very high91.2Very high42 Ų4271 Ų7118%0.18336%0.355CS..THydrogen-bonded Turntrans-75.39.6173.2-65.3-168.4160.8175.70114.1F121 F122 N123 A159 K160 M164 E165 I174F121-K162 HydrophobicContact CE1-CB 4.09Å; F121-K162 HydrophobicContact CZ-CB 4.03Å; F121-K162 VanDerWaalsContact O-CD 3.28Å; F121-K162 WeakPolarHBondContact O-CD 3.27Å; F121-K162 WeakPolarHBondContact O-CE 3.41Å; F121-K162 PolarHBondContact O-NZ 3.46Å; F122-K162 HydrophobicContact CD1-CD 4.15Å; N123-K162 PolarHBondContact O-NZ 2.83Å; A159-K162 PolarHBondContact O-N 3.38Å; K160-K162 PolarHBondContact O-N 2.84Å; K162-M164 PolarHBondContact O-N 3.27Å; K162-E165 HydrophobicContact CB-CG 4.31Å; K162-E165 WeakPolarHBondContact O-CB 3.1Å; K162-E165 PolarHBondContact O-N 2.99Å; K162-I174 HydrophobicContact CB-CD1 3.94Å; K162-I174 WeakPolarHBondContact O-CD1 3.44Å
163H90.8Very high91.6Very high82 Ų8273.3 Ų73.338%0.3836%0.362SS..THydrogen-bonded Turntrans-58.8131.7178.5-17766.2000111.1K160 E161 E165 I174K160-H163 WeakPolarHBondContact O-CB 3.37Å; K160-H163 PolarHBondContact O-N 3.21Å; E161-H163 PolarHBondContact O-N 3.39Å; E161-H163 VanDerWaalsContact O-N 3.15Å; H163-E165 PolarHBondContact O-N 2.99Å; H163-I174 PolarHBondContact ND1-N 2.88Å; H163-I174 VanDerWaalsContact ND1-N 3.11Å; H163-I174 PolarHBondContact ND1-O 2.67Å
164M91.6Very high91.9Very high116 Ų11670.5 Ų70.557%0.57134%0.342SS*.THydrogen-bonded Turntrans66.514.8-173.9-50.3-175.569.900115.4K162 Y171 I172K162-M164 PolarHBondContact O-N 3.27Å; M164-Y171 VanDerWaalsContact O-CD1 3.32Å; M164-Y171 WeakPolarHBondContact O-CD1 3.04Å; M164-I172 WeakPolarHBondContact CA-O 3.45Å; M164-I172 PolarHBondContact N-O 3.44Å
165E92.2Very high92.1Very high90 Ų9068.1 Ų68.142%0.42133%0.329SS..  trans-71164.8162.7-71-171.6-17100111F121 K162 H163 I172F121-E165 HydrophobicContact CE2-CB 3.46Å; F121-E165 VanDerWaalsContact CE2-CB 3.46Å; F121-E165 HydrophobicContact CZ-CB 3.75Å; K162-E165 HydrophobicContact CB-CG 4.31Å; K162-E165 WeakPolarHBondContact O-CB 3.1Å; K162-E165 PolarHBondContact O-N 2.99Å; H163-E165 PolarHBondContact O-N 2.99Å; E165-I172 PolarHBondContact O-N 2.63Å
166K91.5Very high92Very high117 Ų11773.8 Ų73.851%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-101.2138-174.3-66.7179.9-178.8177.70112.5R170 Y171K166-R170 WeakPolarHBondContact CA-O 3.28Å; K166-Y171 HydrophobicContact CD-CD1 4.38Å; K166-Y171 HydrophobicContact CD-CE1 4.06Å; K166-Y171 WeakPolarHBondContact CE-OH 3.43Å; K166-Y171 HydrophobicContact CG-CD1 3.69Å; K166-Y171 HydrophobicContact CG-CE1 3.86Å; K166-Y171 HydrophobicContact CG-CG 4.34Å; K166-Y171 PolarHBondContact NZ-OH 2.82Å; K166-Y171 VanDerWaalsContact NZ-OH 3.1Å
167I92.5Very high91.8Very high10 Ų1073.5 Ų73.55%0.05136%0.355CS..EExtended strand (participates in β ladder)trans-111.7121.3155.9-61.3176.3000106.4L109 P110 E117 F121 H169 R170 I172L109-I167 HydrophobicContact CD2-CD1 3.71Å; P110-I167 HydrophobicContact CG-CG2 4.28Å; P110-I167 WeakPolarHBondContact CG-O 3.37Å; E117-I167 HydrophobicContact CB-CG2 4.13Å; E117-I167 WeakPolarHBondContact OE2-CG2 3.49Å; F121-I167 HydrophobicContact CB-CD1 3.61Å; F121-I167 HydrophobicContact CB-CG1 3.88Å; F121-I167 HydrophobicContact CD1-CD1 4.23Å; F121-I167 HydrophobicContact CD2-CD1 3.74Å; F121-I167 HydrophobicContact CD2-CG1 3.29Å; F121-I167 HydrophobicContact CE2-CD1 4.42Å; F121-I167 HydrophobicContact CE2-CG1 3.92Å; F121-I167 HydrophobicContact CG-CD1 3.6Å; F121-I167 HydrophobicContact CG-CG1 3.71Å; I167-H169 PolarHBondContact O-N 3.13Å; I167-H169 VanDerWaalsContact O-N 3.16Å; I167-R170 PolarHBondContact N-O 3.15Å; I167-R170 PolarHBondContact O-N 3.11Å; I167-R170 VanDerWaalsContact O-N 3.11Å; I167-I172 HydrophobicContact CB-CD1 4.05Å; I167-I172 HydrophobicContact CB-CG1 3.99Å; I167-I172 HydrophobicContact CD1-CD1 4.28Å; I167-I172 HydrophobicContact CD1-CG1 3.82Å; I167-I172 HydrophobicContact CG1-CD1 4.23Å; I167-I172 HydrophobicContact CG1-CG1 3.67Å
168G90.7Very high91.5Very high66 Ų6673.9 Ų73.968%0.6835%0.352SS*.THydrogen-bonded Turntrans55.2-118.7-171.300000112
169H90Very high90.9Very high145 Ų14571.7 Ų71.767%0.67135%0.346SS*.THydrogen-bonded Turntrans-100.14.8-177.463.9-83.9000113.9I167I167-H169 PolarHBondContact O-N 3.13Å; I167-H169 VanDerWaalsContact O-N 3.16Å
170R93.3Very high90Very high86 Ų8677.7 Ų77.733%0.32538%0.376SS..EExtended strand (participates in β ladder)trans-118.3142.6-174.7-65.3-173.255.4127.96.8112G108 P110 K166 I167G108-R170 VanDerWaalsContact CA-NH2 3.33Å; G108-R170 WeakPolarHBondContact O-CB 3.48Å; G108-R170 PolarHBondContact O-NE 2.75Å; P110-R170 HydrophobicContact CG-CB 4.14Å; P110-R170 HydrophobicContact CG-CG 4.22Å; K166-R170 WeakPolarHBondContact CA-O 3.28Å; I167-R170 PolarHBondContact N-O 3.15Å; I167-R170 PolarHBondContact O-N 3.11Å; I167-R170 VanDerWaalsContact O-N 3.11Å
171Y93.2Very high89.5Confident134 Ų13477.4 Ų77.453%0.52538%0.375SS..EExtended strand (participates in β ladder)trans-78.7135.8170-58.5-83.3000109.6M164 K166M164-Y171 VanDerWaalsContact O-CD1 3.32Å; M164-Y171 WeakPolarHBondContact O-CD1 3.04Å; K166-Y171 HydrophobicContact CD-CD1 4.38Å; K166-Y171 HydrophobicContact CD-CE1 4.06Å; K166-Y171 WeakPolarHBondContact CE-OH 3.43Å; K166-Y171 HydrophobicContact CG-CD1 3.69Å; K166-Y171 HydrophobicContact CG-CE1 3.86Å; K166-Y171 HydrophobicContact CG-CG 4.34Å; K166-Y171 PolarHBondContact NZ-OH 2.82Å; K166-Y171 VanDerWaalsContact NZ-OH 3.1Å
172I94.8Very high89.1Confident0 Ų070.4 Ų70.40%034%0.343CS..PPolyproline II helixtrans-100.9121.8-178.1-52.9-47.4000109.6L106 G108 L109 F121 M164 E165 I167 I174L106-I172 HydrophobicContact CB-CG2 4.27Å; L106-I172 HydrophobicContact CD2-CG2 3.94Å; G108-I172 VanDerWaalsContact O-CD1 3.31Å; G108-I172 WeakPolarHBondContact O-CD1 3.2Å; L109-I172 HydrophobicContact CD2-CD1 3.85Å; L109-I172 HydrophobicContact CD2-CG1 4.35Å; L109-I172 HydrophobicContact CD2-CG2 4.31Å; F121-I172 HydrophobicContact CE1-CG2 4.49Å; F121-I172 HydrophobicContact CE2-CB 4.42Å; F121-I172 HydrophobicContact CE2-CG1 4.26Å; F121-I172 HydrophobicContact CZ-CB 4.04Å; F121-I172 HydrophobicContact CZ-CG1 4.35Å; F121-I172 HydrophobicContact CZ-CG2 4.4Å; M164-I172 WeakPolarHBondContact CA-O 3.45Å; M164-I172 PolarHBondContact N-O 3.44Å; E165-I172 PolarHBondContact O-N 2.63Å; I167-I172 HydrophobicContact CB-CD1 4.05Å; I167-I172 HydrophobicContact CB-CG1 3.99Å; I167-I172 HydrophobicContact CD1-CD1 4.28Å; I167-I172 HydrophobicContact CD1-CG1 3.82Å; I167-I172 HydrophobicContact CG1-CD1 4.23Å; I167-I172 HydrophobicContact CG1-CG1 3.67Å; I172-I174 HydrophobicContact CG2-CG1 4.28Å
173E92.6Very high88.7Confident81 Ų8172.7 Ų72.738%0.37936%0.358SS..EExtended strand (participates in β ladder)trans-86.1137.7170-57.7177.4138.500108.7L106 R107 F175L106-E173 CarbonylContact C-O 3.12Å; L106-E173 WeakPolarHBondContact CA-O 3.47Å; R107-E173 HydrophobicContact CB-CB 4.27Å; R107-E173 WeakPolarHBondContact CD-OE2 3.45Å; R107-E173 PolarHBondContact N-O 3.41Å; R107-E173 IonicContact NE-OE2 3.77Å; R107-E173 PolarHBondContact O-N 3.32Å; E173-F175 HydrophobicContact CB-CD2 4.34Å; E173-F175 HydrophobicContact CB-CE2 3.47Å; E173-F175 VanDerWaalsContact CB-CE2 3.47Å; E173-F175 HydrophobicContact CB-CZ 3.88Å
174I94Very high88.2Confident11 Ų1173.7 Ų73.76%0.05636%0.364CS..EExtended strand (participates in β ladder)trans-127.4118.9-174.2-53.9-179.6000106.2V104 L106 F121 F122 A159 K162 H163 I172V104-I174 HydrophobicContact CB-CG2 3.86Å; V104-I174 HydrophobicContact CG1-CG2 3.96Å; V104-I174 HydrophobicContact CG2-CG2 4.26Å; L106-I174 HydrophobicContact CD2-CB 4.47Å; L106-I174 HydrophobicContact CD2-CD1 4.41Å; L106-I174 HydrophobicContact CD2-CG1 3.82Å; L106-I174 HydrophobicContact CD2-CG2 4.34Å; F121-I174 HydrophobicContact CE1-CD1 3.75Å; F121-I174 HydrophobicContact CZ-CD1 4.11Å; F122-I174 HydrophobicContact CE1-CD1 4.07Å; F122-I174 HydrophobicContact CZ-CD1 4.11Å; A159-I174 WeakPolarHBondContact O-CD1 3.19Å; K162-I174 HydrophobicContact CB-CD1 3.94Å; K162-I174 WeakPolarHBondContact O-CD1 3.44Å; H163-I174 PolarHBondContact ND1-N 2.88Å; H163-I174 VanDerWaalsContact ND1-N 3.11Å; H163-I174 PolarHBondContact ND1-O 2.67Å; I172-I174 HydrophobicContact CG2-CG1 4.28Å
175F92.3Very high87.9Confident74 Ų7469.7 Ų69.733%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-118.2142.2179.3-58-85.9000109.2V104 R105 R107 E173V104-F175 CarbonylContact C-O 3.59Å; V104-F175 WeakPolarHBondContact CA-O 3.35Å; V104-F175 WeakPolarHBondContact CB-O 3.49Å; R105-F175 HydrophobicContact CB-CB 4.41Å; R105-F175 PolarHBondContact N-O 2.9Å; R105-F175 VanDerWaalsContact NH2-CG 3.32Å; R105-F175 PolarHBondContact O-N 2.95Å; R107-F175 HydrophobicContact CB-CE2 4.16Å; E173-F175 HydrophobicContact CB-CD2 4.34Å; E173-F175 HydrophobicContact CB-CE2 3.47Å; E173-F175 VanDerWaalsContact CB-CE2 3.47Å; E173-F175 HydrophobicContact CB-CZ 3.88Å
176E88.2Confident87.5Confident120 Ų12067.1 Ų67.156%0.56134%0.335SS*.EExtended strand (participates in β ladder)trans-63.9136.4166.7-172.8160.6-137.500109.4K160K160-E176 IonicContact NZ-OE1 3.7Å; K160-E176 PolarHBondContact NZ-OE1 2.93Å; K160-E176 IonicContact NZ-OE2 3.7Å; K160-E176 PolarHBondContact NZ-OE2 3.41Å
177S86.3Confident87Confident6 Ų666.2 Ų66.24%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-141.9175.2-179-171.30000110.2V103 Y147 E181V103-S177 PolarHBondContact O-N 3.49Å; V103-S177 VanDerWaalsContact O-O 3.06Å; Y147-S177 WeakPolarHBondContact CE1-OG 3.44Å; S177-E181 WeakPolarHBondContact CB-OE2 3.5Å; S177-E181 PolarHBondContact OG-OE2 3.08Å
178T85.2Confident86.6Confident58 Ų5873.1 Ų73.136%0.35636%0.358SS..  trans-112.9154.2177.157.20000109.3E101 M180 E181 A182E101-T178 VanDerWaalsContact OE2-CA 3.24Å; E101-T178 WeakPolarHBondContact OE2-CA 3.49Å; E101-T178 WeakPolarHBondContact OE2-CB 3.25Å; T178-M180 PolarHBondContact O-N 3.31Å; T178-E181 PolarHBondContact O-N 3.22Å; T178-E181 VanDerWaalsContact OG1-CB 3.3Å; T178-E181 WeakPolarHBondContact OG1-CB 3.08Å; T178-E181 PolarHBondContact OG1-N 2.66Å; T178-A182 WeakPolarHBondContact O-CB 3.46Å; T178-A182 PolarHBondContact O-N 3.13Å
179M80.8Confident86.2Confident44 Ų4471.7 Ų71.722%0.21733%0.333CS..Hα-helixtrans-58-34.3170.1-175.554.969.500110.8E101 V103 Q149 A182 N183E101-M179 HydrophobicContact CG-CB 4.39Å; E101-M179 PolarHBondContact OE2-N 3.07Å; V103-M179 HydrophobicContact CG2-CB 4.25Å; V103-M179 HydrophobicContact CG2-CE 3.89Å; Q149-M179 HydrophobicContact CB-CE 3.93Å; Q149-M179 HydrophobicContact CG-CE 3.71Å; M179-A182 PolarHBondContact O-N 3.24Å; M179-N183 VanDerWaalsContact O-CB 3.32Å; M179-N183 WeakPolarHBondContact O-CB 3.48Å; M179-N183 PolarHBondContact O-N 3.48Å; M179-N183 PolarHBondContact O-ND2 2.84Å
180M74.3Confident85.7Confident126 Ų12669.2 Ų69.262%0.62132%0.323SS*.Hα-helixtrans-63.2-48.8174.6-171.816962.100112T178 N183 M184T178-M180 PolarHBondContact O-N 3.31Å; M180-N183 PolarHBondContact O-N 2.84Å; M180-M184 HydrophobicContact CG-CE 3.97Å; M180-M184 HydrophobicContact CG-SD 4.37Å; M180-M184 WeakPolarHBondContact O-CB 3.22Å; M180-M184 VanDerWaalsContact O-CG 3.27Å; M180-M184 WeakPolarHBondContact O-CG 3.26Å; M180-M184 PolarHBondContact O-N 3.07Å
181E80.1Confident85Confident66 Ų6670 Ų7031%0.30833%0.331SS..Hα-helixtrans-61.2-43.9175.7-176.5-173.6175.500111.8R105 Y147 S177 T178 T185R105-E181 IonicContact NE-OE1 3.68Å; Y147-E181 HydrophobicContact CE1-CG 4.38Å; S177-E181 WeakPolarHBondContact CB-OE2 3.5Å; S177-E181 PolarHBondContact OG-OE2 3.08Å; T178-E181 PolarHBondContact O-N 3.22Å; T178-E181 VanDerWaalsContact OG1-CB 3.3Å; T178-E181 WeakPolarHBondContact OG1-CB 3.08Å; T178-E181 PolarHBondContact OG1-N 2.66Å; E181-T185 VanDerWaalsContact O-CB 3.29Å; E181-T185 WeakPolarHBondContact O-CB 3.47Å; E181-T185 PolarHBondContact O-N 2.86Å; E181-T185 PolarHBondContact O-OG1 3.03Å
182A85.7Confident84.4Confident4 Ų466.6 Ų66.63%0.03332%0.321CS..Hα-helixtrans-57.2-54176.300000111.3V103 Y147 T178 M179 M184 T185 I186V103-A182 HydrophobicContact CG1-CB 4.24Å; Y147-A182 HydrophobicContact CD1-CB 3.46Å; Y147-A182 VanDerWaalsContact CD1-CB 3.46Å; Y147-A182 HydrophobicContact CD2-CB 4.15Å; Y147-A182 HydrophobicContact CE1-CB 4.03Å; Y147-A182 HydrophobicContact CG-CB 3.51Å; T178-A182 WeakPolarHBondContact O-CB 3.46Å; T178-A182 PolarHBondContact O-N 3.13Å; M179-A182 PolarHBondContact O-N 3.24Å; A182-M184 PolarHBondContact O-N 2.86Å; A182-T185 PolarHBondContact O-N 3.06Å; A182-I186 WeakPolarHBondContact O-CB 3.49Å; A182-I186 WeakPolarHBondContact O-CD1 3.46Å; A182-I186 WeakPolarHBondContact O-CG1 3.48Å; A182-I186 PolarHBondContact O-N 3.04Å
183N82.8Confident83.9Confident90 Ų9067.7 Ų67.748%0.48133%0.327SS..Hα-helixtrans-62.7-44.7-178.6-72.4-24.8000112.3M179 M180 T185 I186 Q187M179-N183 VanDerWaalsContact O-CB 3.32Å; M179-N183 WeakPolarHBondContact O-CB 3.48Å; M179-N183 PolarHBondContact O-N 3.48Å; M179-N183 PolarHBondContact O-ND2 2.84Å; M180-N183 PolarHBondContact O-N 2.84Å; N183-T185 VanDerWaalsContact C-N 3.3Å; N183-T185 PolarHBondContact O-N 3.12Å; N183-I186 PolarHBondContact O-N 2.94Å; N183-Q187 WeakPolarHBondContact O-CB 3.5Å; N183-Q187 PolarHBondContact O-N 2.61Å
184M80.4Confident83.2Confident103 Ų10370 Ų7051%0.50734%0.338SS..Hα-helixtrans-61-40.9177.4-74.2-171.6-59.600111.9M180 A182 R188M180-M184 HydrophobicContact CG-CE 3.97Å; M180-M184 HydrophobicContact CG-SD 4.37Å; M180-M184 WeakPolarHBondContact O-CB 3.22Å; M180-M184 VanDerWaalsContact O-CG 3.27Å; M180-M184 WeakPolarHBondContact O-CG 3.26Å; M180-M184 PolarHBondContact O-N 3.07Å; A182-M184 PolarHBondContact O-N 2.86Å; M184-R188 VanDerWaalsContact O-CB 3.31Å; M184-R188 WeakPolarHBondContact O-CB 3.49Å; M184-R188 PolarHBondContact O-N 3.38Å
185T84.4Confident82.2Confident32 Ų3273.3 Ų73.320%0.19636%0.362CS..Hα-helixtrans-73.1-42.1-177.3-54.80000111.4L135 Y147 E181 A182 N183 R188 Q189L135-T185 HydrophobicContact CD2-CG2 3.66Å; Y147-T185 HydrophobicContact CE2-CG2 3.83Å; Y147-T185 WeakPolarHBondContact OH-CB 3.46Å; Y147-T185 WeakPolarHBondContact OH-CG2 3.24Å; Y147-T185 PolarHBondContact OH-OG1 2.9Å; Y147-T185 VanDerWaalsContact OH-OG1 3.12Å; E181-T185 VanDerWaalsContact O-CB 3.29Å; E181-T185 WeakPolarHBondContact O-CB 3.47Å; E181-T185 PolarHBondContact O-N 2.86Å; E181-T185 PolarHBondContact O-OG1 3.03Å; A182-T185 PolarHBondContact O-N 3.06Å; N183-T185 VanDerWaalsContact C-N 3.3Å; N183-T185 PolarHBondContact O-N 3.12Å; T185-R188 PolarHBondContact O-N 2.91Å; T185-Q189 WeakPolarHBondContact O-CB 3.47Å; T185-Q189 PolarHBondContact O-N 3.26Å
186I85.3Confident80.7Confident37 Ų3777 Ų7719%0.1937%0.373CS..Hα-helixtrans-61.3-47.3174.4-69.3166.1000110.5L135 Y147 A182 N183 Q189 M190L135-I186 HydrophobicContact CD1-CG1 3.85Å; Y147-I186 HydrophobicContact CD2-CD1 4.44Å; Y147-I186 HydrophobicContact CD2-CG1 4.35Å; A182-I186 WeakPolarHBondContact O-CB 3.49Å; A182-I186 WeakPolarHBondContact O-CD1 3.46Å; A182-I186 WeakPolarHBondContact O-CG1 3.48Å; A182-I186 PolarHBondContact O-N 3.04Å; N183-I186 PolarHBondContact O-N 2.94Å; I186-Q189 PolarHBondContact O-N 2.83Å; I186-M190 HydrophobicContact CG2-CE 3.4Å; I186-M190 HydrophobicContact CG2-SD 4.44Å; I186-M190 WeakPolarHBondContact O-CG 3.2Å; I186-M190 PolarHBondContact O-N 3.49Å
187Q81.3Confident79.3Confident97 Ų9775.5 Ų75.545%0.45338%0.376SS..Hα-helixtrans-61.2-47.2178.8-175.265.334.900111.6N183 Q189 M190 E191N183-Q187 WeakPolarHBondContact O-CB 3.5Å; N183-Q187 PolarHBondContact O-N 2.61Å; Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 2.72Å; Q187-M190 WeakPolarHBondContact O-CB 3.48Å; Q187-M190 PolarHBondContact O-N 3.04Å; Q187-M190 VanDerWaalsContact O-N 3.14Å; Q187-E191 WeakPolarHBondContact O-CG 3.01Å; Q187-E191 PolarHBondContact O-N 2.79Å
188R82.5Confident77.5Confident156 Ų15678.5 Ų78.559%0.58940%0.397SS*.Hα-helixtrans-59.2-41.5176.5-176.9-174.9-63.7163.71.9111.7M184 T185 M190 E191 I192M184-R188 VanDerWaalsContact O-CB 3.31Å; M184-R188 WeakPolarHBondContact O-CB 3.49Å; M184-R188 PolarHBondContact O-N 3.38Å; T185-R188 PolarHBondContact O-N 2.91Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 2.99Å; R188-E191 PolarHBondContact O-N 3.3Å; R188-I192 HydrophobicContact CG-CD1 4.04Å; R188-I192 VanDerWaalsContact O-CG1 3.31Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 3.31Å
189Q82.3Confident75.6Confident35 Ų3579.7 Ų79.716%0.16442%0.421CS..Hα-helixtrans-63.5-40.8177.5-173.262.853.800111.3L135 V136 T185 I186 Q187 I192 N193L135-Q189 HydrophobicContact CB-CG 4.39Å; L135-Q189 HydrophobicContact CD2-CB 4.02Å; L135-Q189 HydrophobicContact CD2-CG 4.2Å; L135-Q189 HydrophobicContact CG-CB 4.28Å; L135-Q189 HydrophobicContact CG-CG 4.27Å; V136-Q189 WeakPolarHBondContact O-CG 3.31Å; V136-Q189 PolarHBondContact O-NE2 3.41Å; T185-Q189 WeakPolarHBondContact O-CB 3.47Å; T185-Q189 PolarHBondContact O-N 3.26Å; I186-Q189 PolarHBondContact O-N 2.83Å; Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 2.72Å; Q189-I192 PolarHBondContact O-N 3.24Å; Q189-N193 PolarHBondContact NE2-OD1 2.84Å; Q189-N193 WeakPolarHBondContact O-CB 3.47Å; Q189-N193 PolarHBondContact O-N 3.47Å; Q189-N193 PolarHBondContact O-ND2 2.83Å; Q189-N193 PolarHBondContact O-OD1 3.33Å
190M80.2Confident73.6Confident93 Ų9388.3 Ų88.346%0.45845%0.451SS..Hα-helixtrans-62-42.3174.4-67.7174.6-171.400112.2I186 Q187 R188 N193 Q194I186-M190 HydrophobicContact CG2-CE 3.4Å; I186-M190 HydrophobicContact CG2-SD 4.44Å; I186-M190 WeakPolarHBondContact O-CG 3.2Å; I186-M190 PolarHBondContact O-N 3.49Å; Q187-M190 WeakPolarHBondContact O-CB 3.48Å; Q187-M190 PolarHBondContact O-N 3.04Å; Q187-M190 VanDerWaalsContact O-N 3.14Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 2.99Å; M190-N193 PolarHBondContact O-N 3.34Å; M190-Q194 WeakPolarHBondContact O-CG 3.28Å; M190-Q194 PolarHBondContact O-N 2.97Å
191E79.2Confident71.8Confident104 Ų10485.4 Ų85.449%0.48645%0.453SS..Hα-helixtrans-63.2-43.2177-71.3168.4-170.200112.1Q187 R188 N193 Q194 S195Q187-E191 WeakPolarHBondContact O-CG 3.01Å; Q187-E191 PolarHBondContact O-N 2.79Å; R188-E191 PolarHBondContact O-N 3.3Å; E191-N193 VanDerWaalsContact C-N 3.3Å; E191-N193 PolarHBondContact O-N 3.15Å; E191-Q194 PolarHBondContact O-N 3.45Å; E191-S195 PolarHBondContact O-N 3.4Å
192I81Confident69.9Low62 Ų6286.8 Ų86.832%0.31847%0.468SS..Hα-helixtrans-60-44.1174.4-69.3166.3000110.1R188 Q189 Q194 S195 R196R188-I192 HydrophobicContact CG-CD1 4.04Å; R188-I192 VanDerWaalsContact O-CG1 3.31Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 3.31Å; Q189-I192 PolarHBondContact O-N 3.24Å; I192-Q194 PolarHBondContact O-N 3.04Å; I192-S195 PolarHBondContact O-N 3.39Å; I192-S195 PolarHBondContact O-OG 3.32Å; I192-R196 WeakPolarHBondContact O-CG 3.16Å; I192-R196 PolarHBondContact O-N 3.06Å
193N82.4Confident67.7Low23 Ų2395.7 Ų95.712%0.12351%0.511CS..Hα-helixtrans-65-39.6179.7-65.7-8.4000112.2V136 D137 H138 Q189 M190 E191 R196 S197V136-N193 PolarHBondContact O-ND2 3.27Å; D137-N193 VanDerWaalsContact C-CG 3.49Å; D137-N193 VanDerWaalsContact C-OD1 3.26Å; D137-N193 WeakPolarHBondContact CA-OD1 3.46Å; D137-N193 PolarHBondContact O-ND2 3.37Å; H138-N193 HydrophobicContact CB-CB 4.17Å; H138-N193 VanDerWaalsContact N-CG 3.33Å; H138-N193 PolarHBondContact N-OD1 3.48Å; Q189-N193 PolarHBondContact NE2-OD1 2.84Å; Q189-N193 WeakPolarHBondContact O-CB 3.47Å; Q189-N193 PolarHBondContact O-N 3.47Å; Q189-N193 PolarHBondContact O-ND2 2.83Å; Q189-N193 PolarHBondContact O-OD1 3.33Å; M190-N193 PolarHBondContact O-N 3.34Å; E191-N193 VanDerWaalsContact C-N 3.3Å; E191-N193 PolarHBondContact O-N 3.15Å; N193-R196 PolarHBondContact O-N 2.95Å; N193-S197 PolarHBondContact O-N 3.1Å; N193-S197 VanDerWaalsContact O-N 3.11Å
194Q79Confident65.7Low130 Ų130100.3 Ų100.361%0.60753%0.527SS*.Hα-helixtrans-63.2-46.8175.3-73.4176.141.700111.3M190 E191 I192 R196 S197 S198M190-Q194 WeakPolarHBondContact O-CG 3.28Å; M190-Q194 PolarHBondContact O-N 2.97Å; E191-Q194 PolarHBondContact O-N 3.45Å; I192-Q194 PolarHBondContact O-N 3.04Å; Q194-R196 PolarHBondContact O-N 2.69Å; Q194-S197 PolarHBondContact O-N 3.3Å; Q194-S198 PolarHBondContact O-N 3.13Å; Q194-S198 PolarHBondContact O-OG 3.11Å
195S72.5Confident63.6Low80 Ų8098.3 Ų98.356%0.55953%0.533SS*.Hα-helixtrans-61.6-29.4-179.472.70000113.5E191 I192E191-S195 PolarHBondContact O-N 3.4Å; I192-S195 PolarHBondContact O-N 3.39Å; I192-S195 PolarHBondContact O-OG 3.32Å
196R61.7Low61.5Low152 Ų152109.1 Ų109.157%0.57457%0.57SS**Hα-helixtrans-86.7-30.3-179.8-71.4-177.8172.8-178-2.3113.7D137 H138 I192 N193 Q194D137-R196 IonicContact OD1-NH1 3.76Å; H138-R196 HydrophobicContact CB-CB 4.17Å; I192-R196 WeakPolarHBondContact O-CG 3.16Å; I192-R196 PolarHBondContact O-N 3.06Å; N193-R196 PolarHBondContact O-N 2.95Å; Q194-R196 PolarHBondContact O-N 2.69Å
197S57.4Low59.1Low87 Ų87110.3 Ų110.361%0.60859%0.592SS**Hα-helixtrans-76.9-27.2176.3-77.60000113N193 Q194 G199N193-S197 PolarHBondContact O-N 3.1Å; N193-S197 VanDerWaalsContact O-N 3.11Å; Q194-S197 PolarHBondContact O-N 3.3Å; S197-G199 PolarHBondContact O-N 3.4Å; S197-G199 VanDerWaalsContact O-N 3.11Å
198S49.3Very low57Low70 Ų70111.4 Ų111.449%0.4961%0.611SS.*  trans-82.983.6169.451.20000110.7Q194 R200Q194-S198 PolarHBondContact O-N 3.13Å; Q194-S198 PolarHBondContact O-OG 3.11Å; S198-R200 CarbonylContact O-C 3.56Å; S198-R200 PolarHBondContact O-N 2.67Å
199G45Very low55.2Low83 Ų83114.6 Ų114.686%0.85662%0.623SS**  trans-61.228.6167.400000115.5S197S197-G199 PolarHBondContact O-N 3.4Å; S197-G199 VanDerWaalsContact O-N 3.11Å
200R39.7Very low53.4Low225 Ų225120 Ų12085%0.84965%0.653SS**  trans-127.586.1164-95.3-171172.4-174.6-0.7106.5S198S198-R200 CarbonylContact O-C 3.56Å; S198-R200 PolarHBondContact O-N 2.67Å
201G35Very low51.4Low64 Ų64118.8 Ų118.866%0.6666%0.664SS**  trans-52.4136.1164.100000108.6M203G201-M203 PolarHBondContact O-N 3.27Å
202P41.8Very low49.7Very low96 Ų96122.8 Ų122.862%0.62368%0.682SS**  trans-63.8108162.9-10.325.1000105.5F204P202-F204 HydrophobicContact CB-CD2 3.65Å; P202-F204 HydrophobicContact CB-CE2 3.44Å; P202-F204 VanDerWaalsContact CB-CE2 3.44Å; P202-F204 HydrophobicContact CB-CG 4.36Å; P202-F204 HydrophobicContact CB-CZ 3.99Å; P202-F204 HydrophobicContact CG-CD2 4.34Å; P202-F204 HydrophobicContact CG-CE2 3.81Å; P202-F204 HydrophobicContact CG-CZ 4.46Å; P202-F204 PolarHBondContact O-N 3.02Å
203M38.2Very low47.7Very low191 Ų191125.2 Ų125.294%0.94170%0.702SS**  trans-56.583.9149.2-85.8-161.5172.100106G201 G205G201-M203 PolarHBondContact O-N 3.27Å; M203-G205 PolarHBondContact O-N 3.37Å
204F41.2Very low45.9Very low186 Ų186132.5 Ų132.582%0.81674%0.741SS**  trans-66.993.9157.8-77.4-69.1000104.8P202P202-F204 HydrophobicContact CB-CD2 3.65Å; P202-F204 HydrophobicContact CB-CE2 3.44Å; P202-F204 VanDerWaalsContact CB-CE2 3.44Å; P202-F204 HydrophobicContact CB-CG 4.36Å; P202-F204 HydrophobicContact CB-CZ 3.99Å; P202-F204 HydrophobicContact CG-CD2 4.34Å; P202-F204 HydrophobicContact CG-CE2 3.81Å; P202-F204 HydrophobicContact CG-CZ 4.46Å; P202-F204 PolarHBondContact O-N 3.02Å
205G37.2Very low44.1Very low62 Ų62130 Ų13064%0.63975%0.75SS**  trans-48.1141.4177.700000109.7M203 G207M203-G205 PolarHBondContact O-N 3.37Å; G205-G207 PolarHBondContact O-N 2.96Å
206R39Very low42.6Very low258 Ų258131.4 Ų131.497%0.97477%0.766SS**  trans-53.288.1148.3-79.8-167.1-178.8-145.74.9107.5S208R206-S208 PolarHBondContact O-N 2.9Å
207G36.1Very low41.5Very low63 Ų63127 Ų12765%0.64977%0.768SS**  trans-64.8112.4162.400000108.1G205G205-G207 PolarHBondContact O-N 2.96Å
208S37.5Very low40.8Very low120 Ų120130.6 Ų130.684%0.83978%0.775SS**  trans65.490.1130.4-49.10000117R206R206-S208 PolarHBondContact O-N 2.9Å
209R44.1Very low40.6Very low223 Ų223135.4 Ų135.484%0.84279%0.789SS**  trans-153.9106.3140.8-153.6145.7-167.4176.36.6111
210D43.8Very low40.3Very low149 Ų149135.3 Ų135.380%0.79779%0.788SS**  trans74.3113.1153.5-48.7-28.8000119.1
211G38.7Very low40.1Very low67 Ų67128.4 Ų128.469%0.69179%0.787SS**  trans132.8108.4140.500000117.6
212H44.2Very low40.5Very low188 Ų188131.2 Ų131.287%0.8779%0.794SS**  trans90.8106.5150.9-60.1-44000120
213P38.6Very low40.5Very low112 Ų112138.7 Ų138.773%0.72781%0.81SS**  trans-87.6120.4155.533.8-22.6000108.4
214D44.1Very low40.4Very low177 Ų177133 Ų13395%0.94780%0.801SS**  trans169.2135.6148.2-93.8-39.4000109.2
215G40.7Very low40.3Very low77 Ų77126.6 Ų126.679%0.79479%0.786SS**  trans129.772.5163.100000114.5
216A41.4Very low40.3Very low109 Ų109133.1 Ų133.190%0.90179%0.793SS**  trans-54.9144.8165.600000112.7
217G37.7Very low40.5Very low59 Ų59128.3 Ų128.361%0.60879%0.787SS**  trans130.8121.713100000119.1
218H43.8Very low40.7Very low163 Ų163129.4 Ų129.476%0.75579%0.79SS**  trans84.5107.3132.9-62.572000119.4
219H44.7Very low41.3Very low171 Ų171129.4 Ų129.479%0.79279%0.787SS**  trans41.3125.3132.9-40.6-65.8000117.9
220G39.4Very low41.7Very low82 Ų82123.5 Ų123.585%0.84578%0.777SS**  cis124.5130.443.300000108
221G35.8Very low41.6Very low80 Ų80125.4 Ų125.483%0.82578%0.779SS**  trans111.3121.8161.300000117.6
222P42.6Very low41.7Very low123 Ų123127.2 Ų127.280%0.79978%0.781SS**  trans-107.1151.2174.638-28.2000113.1
223R41.9Very low41.9Very low252 Ų252123.3 Ų123.395%0.95177%0.772SS**  trans148.2121.3160.8-89.2171.5-178-161.81.8106
224G35.6Very low41.7Very low73 Ų73126 Ų12675%0.75378%0.78SS**  103.8116.950.200000107.3
225G39.4Very low41.5Very low50 Ų50121 Ų12152%0.51577%0.771SS.*  trans134.5112.8157.400000117.3
226Y38.4Very low41.4Very low200 Ų200123.2 Ų123.278%0.78478%0.775SS**  trans35116133.140.1-96.9000118.1
227D42.6Very low41.2Very low156 Ų156121.8 Ų121.883%0.83477%0.77SS**  174.8155.1102.6-89.9-45.8000112.1
228A39.9Very low41.7Very low87 Ų87124.3 Ų124.372%0.71978%0.776SS**  trans-71.3165.9-156.200000117
229P50.5Low41.3Very low119 Ų119123.9 Ų123.977%0.77378%0.779SS**  trans-87.5-155.3177.842.2-35.9000109.5
230P51.6Low41.1Very low99 Ų99127.9 Ų127.964%0.64379%0.787SS**  cis-139.1-175.8-0.837-14.4000114.6
231F42.7Very low41Very low189 Ų189127.4 Ų127.483%0.82978%0.782SS**  trans159.7107134.8-99-87.9000112.6
232S40.4Very low41.7Very low106 Ų106129.7 Ų129.774%0.74178%0.783SS**  9.9173.4129.7-76.10000121.8
233P48Very low41.8Very low106 Ų106130.8 Ų130.869%0.68879%0.787SS**  cis-142.9173.4-3437.5-19.2000114
234N35.2Very low41.9Very low167 Ų167124.4 Ų124.489%0.89378%0.778SS**  trans47.9124.4149.3-84-7.4000121.7
235G39.5Very low42.1Very low73 Ų73124.3 Ų124.375%0.75378%0.777SS**  trans-175.366.5166.600000116.2
236S39.6Very low42.1Very low124 Ų124132.9 Ų132.987%0.86779%0.794SS**  trans18.3109.1140.4-40.50000121.7
237G36.8Very low42.2Very low78 Ų78134.1 Ų134.180%0.80480%0.799SS**  trans59.3-176137.700000121
238P46.8Very low42.2Very low113 Ų113131 Ų13173%0.73479%0.794SS**  cis-129.7174.5-43.137.3-22000112.3
239N36.5Very low42.6Very low153 Ų153131.3 Ų131.382%0.81879%0.789SS**  trans52.2112153-73.3-35.6000120
240R40Very low42.2Very low255 Ų255136.5 Ų136.596%0.96280%0.795SS**  -161119.5129.9-108.4178.7-157-175.56.7110.1
241G38.3Very low41.7Very low72 Ų72135.2 Ų135.274%0.74280%0.799SS**  trans-80-140.8176.400000113.3
242P49.6Very low41.9Very low129 Ų129137.9 Ų137.984%0.83880%0.804SS**  -117.5164-107.236-24.7000112.7
243V43.8Very low42Very low146 Ų146137.8 Ų137.889%0.88580%0.801SS**  trans-148.4149.5166.8-101.20000112.8
244P45.3Very low41.5Very low118 Ų118138.2 Ų138.277%0.76681%0.806SS**  trans-128.9159.8-135.333.5-13.8000115.4
245G38.9Very low41.8Very low70 Ų70138.5 Ų138.572%0.72280%0.802SS**  trans67.4122.5135.400000120.6
246R40.8Very low41.7Very low231 Ų231140.3 Ų140.387%0.87280%0.798SS**  -157.5105.3124.4-83.2-142.4-158.6-103.34.8109
247Y39.1Very low41.5Very low226 Ų226144 Ų14489%0.88680%0.799SS**  79107.696.2-93.1-85000114.5
248A42.9Very low41.3Very low90 Ų90143 Ų14374%0.74479%0.789SS**  trans-69.9-178.3172.900000112.7
249P47.7Very low41.1Very low94 Ų94146.5 Ų146.561%0.6180%0.795SS**  -160.2166.681.235-10.5000119.6
250Y43.4Very low41.3Very low227 Ų227144.1 Ų144.189%0.8979%0.788SS**  trans76.7119.7164.9-45.3-69.2000118
251G40.6Very low41Very low72 Ų72135.7 Ų135.774%0.74278%0.78SS**  cis132.7116.34.600000110.7
252R46.9Very low41.3Very low245 Ų245143 Ų14393%0.92579%0.786SS**  trans169156.2141.8-98.5-176-173.5-97.10.6113.8
253P43.2Very low40.6Very low105 Ų105144 Ų14468%0.68279%0.785SS**  -130.2-178.2-11435.2-13.7000116.7
254S36.3Very low40.5Very low114 Ų114142.5 Ų142.580%0.79778%0.781SS**  trans-61.8148.3-168.1-43.50000119.4
255H43.1Very low40.9Very low173 Ų173142.5 Ų142.580%0.80178%0.781SS**  trans-147.995.5154.647.1-67.3000105.4
256V36.1Very low41.1Very low111 Ų111144.6 Ų144.667%0.67378%0.782SS**  55.6118.480.6-157.70000114
257F35.9Very low41Very low203 Ų203145.3 Ų145.389%0.8979%0.785SS**  trans74.5125176.7-69-82.4000116.2
258G33Very low40.7Very low57 Ų57138 Ų13859%0.58878%0.778SS**  cis171154.83.900000109
259H41.2Very low40.6Very low186 Ų186142.9 Ų142.986%0.86178%0.783SS**  trans102.4138162.1-59.2-65.5000119.9
260P41Very low40Very low103 Ų103146.4 Ų146.467%0.66979%0.791SS**  trans-115.1125.4-133.9210.2000113.3
261G35.1Very low39.8Very low77 Ų77139.1 Ų139.179%0.79479%0.786SS**  trans-79.7115.3165.800000110.3N263G261-N263 PolarHBondContact O-N 2.61Å
262Y44.5Very low39.9Very low225 Ų225142 Ų14288%0.88279%0.791SS**PPolyproline II helixtrans-62.8128.8178.5-89.8-92.3000112.1
263N34.1Very low39.7Very low152 Ų152135.5 Ų135.581%0.81378%0.783SS**PPolyproline II helixtrans-50.6130.5172.7-72.9-35.3000113G261G261-N263 PolarHBondContact O-N 2.61Å
264S40.7Very low39.6Very low113 Ų113136.4 Ų136.479%0.7979%0.789SS**PPolyproline II helixtrans-77.4124.4153.8-59.50000108.5
265P53.8Low39.8Very low118 Ų118136.1 Ų136.177%0.76679%0.787SS**PPolyproline II helixtrans-84.9134.3170.731.4-27.3000109.8
266P43.4Very low39.7Very low115 Ų115138.2 Ų138.275%0.74779%0.794SS**PPolyproline II helixtrans-84.5133.7169.133.1-28.1000108.6
267R40.3Very low39.7Very low245 Ų245136.3 Ų136.393%0.92580%0.797SS**  trans-170.5111.3159.9-108.9170.2-144.5-1467.4111.3
268G31.6Very low39.6Very low73 Ų73131.9 Ų131.975%0.75379%0.791SS**  trans-78141.5141.800000109
269F40.6Very low39.8Very low192 Ų192136.7 Ų136.784%0.84280%0.803SS**  trans-170.9147.5140.7-151.5-103000109.8
270E35.2Very low39.5Very low168 Ų168138.7 Ų138.779%0.78581%0.81SS**  trans-71.4160.1-165.8-65160.511100116.7
271G38.8Very low39.5Very low75 Ų75136.5 Ų136.577%0.77381%0.806SS**  trans170.2144.2156.500000113.8
272P44Very low39.9Very low133 Ų133138.5 Ų138.586%0.86481%0.805SS**  trans-111.7168.9-131.638.2-28.9000118.1
273S41.4Very low39.6Very low107 Ų107134.1 Ų134.175%0.74880%0.804SS**  trans-50170.3-172.5-40.70000119
274P42.4Very low39.5Very low124 Ų124130 Ų13081%0.80580%0.797SS**  -142.213388.735.4-18.4000116.6
275S38.7Very low39.2Very low109 Ų109133.2 Ų133.276%0.76280%0.799SS**  trans22.2114.5135.2-49.70000120.6
276K42.8Very low38.3Very low216 Ų216136.6 Ų136.694%0.93980%0.798SS**  -178.8127.1120.4-104.1172.6-179.9178.40112.3
277G35Very low37.7Very low71 Ų71139.2 Ų139.273%0.73280%0.8SS**  trans96.788.4144.200000117.5
278S33.7Very low37.7Very low110 Ų110135.9 Ų135.977%0.76979%0.789SS**  trans-15.7123.8150.352.40000117.9
279N36.6Very low38.2Very low159 Ų159139.7 Ų139.785%0.8579%0.792SS**  -169.8107121.9-109.113.3000110.6G281N279-G281 PolarHBondContact O-N 2.94Å
280F35.4Very low38.6Very low228 Ų228133.3 Ų133.3100%177%0.767SS**  trans-71.5107.1167.8-98.6-106000109
281G41.3Very low39.3Very low57 Ų57129 Ų12959%0.58875%0.754SS**  trans-118.3148.2161.400000109.4N279N279-G281 PolarHBondContact O-N 2.94Å
282P43.2Very low40.1Very low119 Ų119131.3 Ų131.377%0.77374%0.744SS**PPolyproline II helixtrans-65.4154.1179.730-32.5000110.3G284P282-G284 PolarHBondContact O-N 3.35Å; P282-G284 VanDerWaalsContact O-N 3.13Å
283P38.4Very low41Very low133 Ų133125.9 Ų125.986%0.86471%0.71SS**PPolyproline II helixtrans-62.1119.4-166.511.4-11.6000111.1H285P283-H285 PolarHBondContact O-N 3.35Å
284G31.4Very low42.1Very low64 Ų64124.8 Ų124.866%0.6670%0.702SS**PPolyproline II helixtrans-55.3125.4178.300000111.3P282 Y286P282-G284 PolarHBondContact O-N 3.35Å; P282-G284 VanDerWaalsContact O-N 3.13Å; G284-Y286 PolarHBondContact O-N 3.31Å; G284-Y286 VanDerWaalsContact O-N 3.07Å
285H36.1Very low43.6Very low182 Ų182120.9 Ų120.984%0.84368%0.676SS**  trans-61.1107.2164.2-149.6-93.9000106.6P283 E287P283-H285 PolarHBondContact O-N 3.35Å; H285-E287 PolarHBondContact O-N 2.81Å
286Y34.4Very low45.6Very low188 Ų188115.9 Ų115.974%0.73764%0.641SS**  trans-68.483.8173.539.2-85.7000108G284 Y288G284-Y286 PolarHBondContact O-N 3.31Å; G284-Y286 VanDerWaalsContact O-N 3.07Å; Y286-Y288 VanDerWaalsContact C-N 3.32Å; Y286-Y288 PolarHBondContact O-N 2.94Å
287E30.7Very low47.6Very low171 Ų171106.8 Ų106.880%0.79960%0.602SS**  trans-65.2100.1160.7-166.2162.2-171.200106H285 D289H285-E287 PolarHBondContact O-N 2.81Å; E287-D289 PolarHBondContact O-N 2.89Å
288Y40.1Very low50.3Low175 Ų175103.9 Ų103.969%0.68657%0.571SS**  trans-55.8105167.6-108-96.9000106.4Y286 D290 R328Y286-Y288 VanDerWaalsContact C-N 3.32Å; Y286-Y288 PolarHBondContact O-N 2.94Å; Y288-D290 PolarHBondContact O-N 2.8Å; Y288-R328 PolarHBondContact O-NH2 2.9Å
289D41.7Very low53.1Low153 Ų15398.7 Ų98.782%0.81853%0.534SS*.  trans-41.5111.2164.7-93.9-70.6000107.5E287 P291E287-D289 PolarHBondContact O-N 2.89Å; D289-P291 WeakPolarHBondContact O-CD 3.47Å; D289-P291 VanDerWaalsContact O-N 3.16Å
290D49.3Very low55.9Low58 Ų5895.4 Ų95.431%0.3151%0.51SS..PPolyproline II helixtrans-60.8121.1170.2-109.7-29.9000106.3Y288 Q292 R328 I340Y288-D290 PolarHBondContact O-N 2.8Å; D290-Q292 PolarHBondContact O-N 2.82Å; D290-R328 VanDerWaalsContact CG-CZ 3.41Å; D290-R328 IonicContact OD1-CZ 3.18Å; D290-R328 IonicContact OD1-NE 2.8Å; D290-R328 PolarHBondContact OD1-NE 3.29Å; D290-R328 IonicContact OD1-NH2 2.88Å; D290-R328 PolarHBondContact OD1-NH2 2.99Å; D290-R328 IonicContact OD2-CZ 3.11Å; D290-R328 IonicContact OD2-NE 3.38Å; D290-R328 PolarHBondContact OD2-NE 3.44Å; D290-R328 IonicContact OD2-NH1 3.86Å; D290-R328 IonicContact OD2-NH2 2.84Å; D290-R328 PolarHBondContact OD2-NH2 3.14Å; D290-I340 HydrophobicContact CB-CD1 4.15Å; D290-I340 WeakPolarHBondContact OD1-CD1 3.26Å; D290-I340 VanDerWaalsContact OD2-CD1 3.27Å; D290-I340 WeakPolarHBondContact OD2-CD1 3.21Å
291P50Low58.7Low78 Ų7884.6 Ų84.651%0.50646%0.462SS..PPolyproline II helixtrans-57.2120.7177.422-30.1000107.7D289 S293 R326D289-P291 WeakPolarHBondContact O-CD 3.47Å; D289-P291 VanDerWaalsContact O-N 3.16Å; P291-S293 PolarHBondContact O-N 2.94Å; P291-R326 PolarHBondContact O-NH1 3.27Å; P291-R326 PolarHBondContact O-NH2 3.07Å
292Q56.1Low61.3Low122 Ų12287 Ų8757%0.5745%0.454SS*.PPolyproline II helixtrans-48.6139.9-174.3-71167.3-27.600110.6D290 S294 R326 S380D290-Q292 PolarHBondContact O-N 2.82Å; Q292-S294 PolarHBondContact O-N 3.07Å; Q292-R326 PolarHBondContact O-NH1 3.46Å; Q292-S380 PolarHBondContact NE2-O 3.37Å
293S63.1Low63.7Low20 Ų2081.8 Ų81.814%0.1442%0.421CS..PPolyproline II helixtrans-53.1125.7173.81800000109.6P291 T295 G296 H297 D342P291-S293 PolarHBondContact O-N 2.94Å; S293-T295 PolarHBondContact O-N 3.41Å; S293-G296 PolarHBondContact OG-N 2.74Å; S293-H297 PolarHBondContact OG-N 3.08Å; S293-D342 WeakPolarHBondContact CA-OD1 3.45Å; S293-D342 WeakPolarHBondContact CB-OD1 3.39Å; S293-D342 PolarHBondContact OG-OD1 3.39Å
294S64.8Low66.4Low83 Ų8375.5 Ų75.558%0.5838%0.38SS*.SBendtrans-68.7-24.9-17952.40000112.5Q292Q292-S294 PolarHBondContact O-N 3.07Å
295T73.3Confident69.2Low43 Ų4372.8 Ų72.826%0.26435%0.351SS..SBendtrans-105.8-17.8-178.961.40000112.7S293 H297 V323 F343S293-T295 PolarHBondContact O-N 3.41Å; T295-H297 PolarHBondContact O-CD2 2.9Å; T295-H297 PolarHBondContact O-N 3.36Å; T295-H297 PolarHBondContact OG1-N 2.87Å; T295-H297 PolarHBondContact OG1-O 2.75Å; T295-V323 HydrophobicContact CG2-CB 4.25Å; T295-V323 HydrophobicContact CG2-CG1 4.05Å; T295-V323 HydrophobicContact CG2-CG2 4.23Å; T295-F343 WeakPolarHBondContact CB-O 3.34Å; T295-F343 VanDerWaalsContact CG2-O 3.31Å; T295-F343 WeakPolarHBondContact CG2-O 3.47Å; T295-F343 PolarHBondContact OG1-O 3.13Å
296G79.5Confident71.9Confident3 Ų371.4 Ų71.43%0.03134%0.34CS..SBendtrans73.59.8-17100000114.8S293 I376S293-G296 PolarHBondContact OG-N 2.74Å; G296-I376 VanDerWaalsContact CA-CG1 3.45Å
297H86.2Confident74.6Confident25 Ų2567.1 Ų67.112%0.11634%0.337CS..EExtended strand (participates in β ladder)trans-125.487.3177-57.4-55.3000108.6S293 T295 F343 H346 S371 T372S293-H297 PolarHBondContact OG-N 3.08Å; T295-H297 PolarHBondContact O-CD2 2.9Å; T295-H297 PolarHBondContact O-N 3.36Å; T295-H297 PolarHBondContact OG1-N 2.87Å; T295-H297 PolarHBondContact OG1-O 2.75Å; H297-F343 PolarHBondContact O-N 3.26Å; H297-H346 PolarHBondContact ND1-N 3.01Å; H297-S371 WeakPolarHBondContact CA-OG 3.28Å; H297-S371 WeakPolarHBondContact CB-OG 3.16Å; H297-S371 PolarHBondContact ND1-OG 2.97Å; H297-T372 PolarHBondContact CE1-O 3.03Å; H297-T372 VanDerWaalsContact CE1-O 3.27Å; H297-T372 PolarHBondContact ND1-O 2.92Å
298S90.9Very high77.6Confident11 Ų1159.5 Ų59.58%0.07730%0.303CS..EExtended strand (participates in β ladder)trans-121.1159.8-177.967.40000113.4V341 D342 A370S298-V341 CarbonylContact C-O 3.59Å; S298-V341 WeakPolarHBondContact CA-O 3.14Å; S298-V341 WeakPolarHBondContact CB-O 3.47Å; S298-D342 WeakPolarHBondContact CB-OD1 3.3Å; S298-A370 PolarHBondContact N-O 2.93Å; S298-A370 VanDerWaalsContact N-O 3.08Å; S298-A370 CarbonylContact O-C 3.55Å; S298-A370 VanDerWaalsContact O-CA 3.26Å; S298-A370 WeakPolarHBondContact O-CA 3.36Å; S298-A370 PolarHBondContact O-N 3.2Å; S298-A370 WeakPolarHBondContact OG-CB 3.34Å; S298-A370 PolarHBondContact OG-O 3Å
299V93.3Very high80.1Confident1 Ų153.9 Ų53.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-124.9125.2170.7176.50000107.4V341 F343 A349 A352 M353 L367 F368 L369V299-V341 PolarHBondContact N-O 2.87Å; V299-V341 PolarHBondContact O-N 2.87Å; V299-F343 HydrophobicContact CB-CE2 3.97Å; V299-F343 HydrophobicContact CG2-CD2 4.02Å; V299-F343 HydrophobicContact CG2-CE2 3.63Å; V299-A349 HydrophobicContact CG2-CB 4.08Å; V299-A352 HydrophobicContact CG2-CB 4.24Å; V299-M353 HydrophobicContact CG1-SD 4.05Å; V299-M353 HydrophobicContact CG2-SD 4.31Å; V299-L367 HydrophobicContact CG1-CB 3.9Å; V299-L367 HydrophobicContact CG1-CD2 4.03Å; V299-L367 HydrophobicContact CG1-CG 4.41Å; V299-F368 WeakPolarHBondContact CA-O 3.33Å; V299-L369 HydrophobicContact CG2-CD1 4.29Å
300R94.8Very high82.5Confident90 Ų9051.6 Ų51.634%0.3427%0.27SS..EExtended strand (participates in β ladder)trans-85.7127.1171.4-175.2177.5-177.5176.90108.4E338 I340 L367 F368R300-E338 IonicContact CZ-OE2 2.67Å; R300-E338 IonicContact NE-OE2 3.9Å; R300-E338 IonicContact NH2-OE1 2.82Å; R300-E338 IonicContact NH2-OE2 2.63Å; R300-E338 PolarHBondContact NH2-OE2 3.21Å; R300-I340 HydrophobicContact CG-CG1 4.36Å; R300-L367 CarbonylContact O-C 3.37Å; R300-L367 WeakPolarHBondContact O-CA 3.2Å; R300-F368 HydrophobicContact CB-CB 4.28Å; R300-F368 PolarHBondContact N-O 3.17Å; R300-F368 PolarHBondContact O-N 2.79Å
301M95.1Very high84.5Confident1 Ų154.2 Ų54.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-104.7136.7177.1-53.2-177.871.900109.6L304 I313 F316 E338 A339 V341 I360 I365 E366 L367M301-L304 HydrophobicContact CE-CD2 4.2Å; M301-I313 HydrophobicContact CE-CG1 4.45Å; M301-I313 HydrophobicContact CE-CG2 4.02Å; M301-I313 HydrophobicContact SD-CG1 4.4Å; M301-I313 HydrophobicContact SD-CG2 3.54Å; M301-I313 VanDerWaalsContact SD-CG2 3.54Å; M301-F316 HydrophobicContact CE-CD1 3.77Å; M301-F316 HydrophobicContact CE-CE1 3.93Å; M301-E338 CarbonylContact O-C 3.44Å; M301-E338 VanDerWaalsContact O-CA 3.27Å; M301-E338 WeakPolarHBondContact O-CA 3.5Å; M301-A339 HydrophobicContact CB-CB 4.39Å; M301-A339 PolarHBondContact N-O 3.34Å; M301-A339 PolarHBondContact O-N 2.74Å; M301-V341 HydrophobicContact CG-CG2 4.01Å; M301-V341 HydrophobicContact SD-CG2 3.36Å; M301-V341 WeakPolarHBondContact SD-CG2 3.4Å; M301-I360 HydrophobicContact CE-CD1 4.41Å; M301-I365 HydrophobicContact CB-CG2 4.3Å; M301-I365 HydrophobicContact CE-CG2 3.71Å; M301-E366 CarbonylContact C-O 3.57Å; M301-E366 WeakPolarHBondContact CA-O 3.19Å; M301-L367 HydrophobicContact CB-CD2 4.14Å; M301-L367 HydrophobicContact CE-CD2 3.95Å; M301-L367 HydrophobicContact CG-CD2 3.59Å; M301-L367 HydrophobicContact SD-CD2 4.45Å
302R94.7Very high86.6Confident108 Ų10852.4 Ų52.441%0.40827%0.267SS..EExtended strand (participates in β ladder)trans-132.8150.1173.9-177.5176.5169.9109.7-10.4110.2G337 E338 I365 E366 F368R302-G337 CarbonylContact C-O 3.58Å; R302-E338 HydrophobicContact CG-CG 4.26Å; R302-E338 IonicContact CZ-OE1 3.18Å; R302-E338 IonicContact NH1-OE1 2.64Å; R302-E338 PolarHBondContact NH1-OE1 2.98Å; R302-I365 WeakPolarHBondContact O-CA 3.1Å; R302-E366 HydrophobicContact CB-CB 4.36Å; R302-E366 PolarHBondContact N-O 3.48Å; R302-E366 IonicContact NE-OE2 3.71Å; R302-E366 PolarHBondContact O-N 3.16Å; R302-F368 HydrophobicContact CB-CE2 4.11Å
303G93.4Very high88.5Confident8 Ų846.6 Ų46.68%0.08224%0.239CC..  trans93.911177.200000114.3G337 R363 I365G303-G337 PolarHBondContact N-O 3.46Å; G303-R363 WeakPolarHBondContact O-CB 3.31Å; G303-R363 VanDerWaalsContact O-CD 3.25Å; G303-R363 WeakPolarHBondContact O-CD 3.35Å; G303-R363 PolarHBondContact O-NE 3.4Å; G303-I365 WeakPolarHBondContact O-CD1 3.32Å
304L94.6Very high89.9Confident1 Ų149.4 Ų49.41%0.00525%0.253CS..  trans-57.5136.5175.5-65.9170000110.9M301 A308 I313 M327 G337 A339 I360 I365M301-L304 HydrophobicContact CE-CD2 4.2Å; L304-A308 HydrophobicContact CB-CB 4.27Å; L304-I313 HydrophobicContact CD1-CD1 3.79Å; L304-I313 HydrophobicContact CD1-CG1 4.4Å; L304-I313 HydrophobicContact CD2-CD1 4.28Å; L304-I313 HydrophobicContact CD2-CG1 3.97Å; L304-M327 HydrophobicContact CD1-CE 4.28Å; L304-G337 PolarHBondContact N-O 3.01Å; L304-G337 WeakPolarHBondContact O-CA 3.41Å; L304-A339 HydrophobicContact CD1-CB 3.5Å; L304-A339 VanDerWaalsContact CD1-CB 3.5Å; L304-I360 HydrophobicContact CD2-CD1 3.72Å; L304-I365 HydrophobicContact CD2-CD1 3.89Å; L304-I365 HydrophobicContact CG-CD1 4.46Å
305P92.1Very high91.3Very high8 Ų853.3 Ų53.35%0.05226%0.255CS..  trans-52.2143.5165.9-24.632.1000110.8S307 A308 I360 R363P305-S307 PolarHBondContact O-N 3.33Å; P305-S307 VanDerWaalsContact O-N 3.09Å; P305-A308 HydrophobicContact CB-CB 4.26Å; P305-A308 HydrophobicContact CG-CB 4.47Å; P305-A308 WeakPolarHBondContact O-CB 3.45Å; P305-A308 PolarHBondContact O-N 2.84Å; P305-I360 HydrophobicContact CG-CG2 4.25Å; P305-I360 WeakPolarHBondContact CG-O 3.49Å; P305-R363 HydrophobicContact CG-CB 4.18Å; P305-R363 HydrophobicContact CG-CG 4.17Å
306Y92Very high92.3Very high153 Ų15352.1 Ų52.160%0.625%0.246SC*.THydrogen-bonded Turntrans-64.2-15.3175.7-59.7-48.5000112.9P335Y306-P335 HydrophobicContact CD1-CG 4.38Å; Y306-P335 VanDerWaalsContact CD1-O 3.24Å; Y306-P335 WeakPolarHBondContact CD1-O 3.5Å; Y306-P335 WeakPolarHBondContact CE1-O 3.3Å; Y306-P335 WeakPolarHBondContact O-CG 3.39Å
307S91.9Very high93Very high98 Ų9852.1 Ų52.169%0.68525%0.245SC*.THydrogen-bonded Turntrans-91.5-4.6172.760.60000114P305P305-S307 PolarHBondContact O-N 3.33Å; P305-S307 VanDerWaalsContact O-N 3.09Å
308A92Very high93.2Very high10 Ų1054.5 Ų54.58%0.08327%0.265CS..  trans-66.2140.4-176.300000110.7L304 P305 D312 M327L304-A308 HydrophobicContact CB-CB 4.27Å; P305-A308 HydrophobicContact CB-CB 4.26Å; P305-A308 HydrophobicContact CG-CB 4.47Å; P305-A308 WeakPolarHBondContact O-CB 3.45Å; P305-A308 PolarHBondContact O-N 2.84Å; A308-D312 WeakPolarHBondContact CA-OD2 3.36Å; A308-M327 WeakPolarHBondContact O-CE 3.21Å
309T92.5Very high93.3Very high58 Ų5859.6 Ų59.636%0.35630%0.298SS..  trans-109.4175174.874.30000111.4E311 D312 I313T309-E311 WeakPolarHBondContact CB-OE2 3.4Å; T309-E311 PolarHBondContact O-N 2.75Å; T309-E311 PolarHBondContact OG1-N 3.26Å; T309-E311 PolarHBondContact OG1-OE2 2.91Å; T309-D312 PolarHBondContact N-OD2 3.43Å; T309-D312 WeakPolarHBondContact O-CB 3.26Å; T309-D312 PolarHBondContact O-N 2.92Å; T309-D312 PolarHBondContact OG1-N 3.48Å; T309-I313 PolarHBondContact O-N 2.87Å
310K92.5Very high93.2Very high104 Ų10461 Ų6145%0.45231%0.305SS..Hα-helixtrans-63.2-33.6174.8-64.8-170.8-177.3-162.80111.4D312 I313 D314 I325 M327K310-D312 VanDerWaalsContact C-N 3.33Å; K310-D312 PolarHBondContact O-N 3.39Å; K310-I313 WeakPolarHBondContact O-CB 3.45Å; K310-I313 PolarHBondContact O-N 3.27Å; K310-D314 PolarHBondContact O-N 2.73Å; K310-I325 HydrophobicContact CB-CG2 4.4Å; K310-I325 HydrophobicContact CD-CB 4.42Å; K310-I325 VanDerWaalsContact CE-O 3.28Å; K310-I325 WeakPolarHBondContact CE-O 3.24Å; K310-I325 HydrophobicContact CG-CB 4.49Å; K310-I325 HydrophobicContact CG-CG2 4.11Å; K310-I325 PolarHBondContact NZ-O 3.16Å; K310-M327 HydrophobicContact CG-CG 4.41Å; K310-M327 HydrophobicContact CG-SD 4.18Å
311E92.4Very high92.9Very high114 Ų11464 Ų6453%0.53332%0.323SS..Hα-helixtrans-67-33.2177.6-58.270.4-15000111.9T309 I313 D314 R315T309-E311 WeakPolarHBondContact CB-OE2 3.4Å; T309-E311 PolarHBondContact O-N 2.75Å; T309-E311 PolarHBondContact OG1-N 3.26Å; T309-E311 PolarHBondContact OG1-OE2 2.91Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-D314 PolarHBondContact O-N 2.64Å; E311-R315 WeakPolarHBondContact O-CB 3.24Å; E311-R315 WeakPolarHBondContact O-CG 3.46Å; E311-R315 PolarHBondContact O-N 3.09Å
312D93.9Very high92.7Very high40 Ų4065.1 Ų65.121%0.21433%0.33CS..Hα-helixtrans-64.7-40.9172-69.4-43.3000111.8A308 T309 K310 R315 F316 I360A308-D312 WeakPolarHBondContact CA-OD2 3.36Å; T309-D312 PolarHBondContact N-OD2 3.43Å; T309-D312 WeakPolarHBondContact O-CB 3.26Å; T309-D312 PolarHBondContact O-N 2.92Å; T309-D312 PolarHBondContact OG1-N 3.48Å; K310-D312 VanDerWaalsContact C-N 3.33Å; K310-D312 PolarHBondContact O-N 3.39Å; D312-R315 IonicContact OD1-CZ 3.8Å; D312-R315 IonicContact OD1-NE 3.94Å; D312-R315 IonicContact OD1-NH2 2.72Å; D312-R315 PolarHBondContact OD1-NH2 3.31Å; D312-F316 VanDerWaalsContact O-CB 3.24Å; D312-F316 WeakPolarHBondContact O-CB 3.4Å; D312-F316 PolarHBondContact O-N 3.36Å; D312-I360 HydrophobicContact CB-CG2 4.06Å
313I94.7Very high92.4Very high0 Ų063.9 Ų63.90%033%0.334CS..Hα-helixtrans-66.3-41.8177-64.3168.8000110.3M301 L304 T309 K310 E311 F316 L317 I325 M327 A339 V341M301-I313 HydrophobicContact CE-CG1 4.45Å; M301-I313 HydrophobicContact CE-CG2 4.02Å; M301-I313 HydrophobicContact SD-CG1 4.4Å; M301-I313 HydrophobicContact SD-CG2 3.54Å; M301-I313 VanDerWaalsContact SD-CG2 3.54Å; L304-I313 HydrophobicContact CD1-CD1 3.79Å; L304-I313 HydrophobicContact CD1-CG1 4.4Å; L304-I313 HydrophobicContact CD2-CD1 4.28Å; L304-I313 HydrophobicContact CD2-CG1 3.97Å; T309-I313 PolarHBondContact O-N 2.87Å; K310-I313 WeakPolarHBondContact O-CB 3.45Å; K310-I313 PolarHBondContact O-N 3.27Å; E311-I313 VanDerWaalsContact C-N 3.34Å; I313-F316 WeakPolarHBondContact O-CB 3.48Å; I313-F316 PolarHBondContact O-N 3.45Å; I313-L317 HydrophobicContact CG2-CD1 3.8Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 WeakPolarHBondContact O-CG 3.29Å; I313-L317 PolarHBondContact O-N 3.43Å; I313-I325 HydrophobicContact CB-CD1 4.31Å; I313-I325 HydrophobicContact CB-CG2 4.38Å; I313-I325 HydrophobicContact CD1-CG2 3.75Å; I313-I325 HydrophobicContact CG2-CD1 3.98Å; I313-I325 HydrophobicContact CG2-CG1 4.44Å; I313-I325 HydrophobicContact CG2-CG2 4.12Å; I313-M327 HydrophobicContact CD1-CE 4.49Å; I313-M327 HydrophobicContact CD1-CG 4.17Å; I313-M327 HydrophobicContact CD1-SD 4.31Å; I313-A339 HydrophobicContact CD1-CB 4.04Å; I313-V341 HydrophobicContact CG2-CG2 3.92Å
314D93.7Very high92.2Very high79 Ų7966.4 Ų66.442%0.42235%0.346SS..Hα-helixtrans-62.9-47.3177.7-164.463.4000111.7K310 E311 F316 L317 S318 I325K310-D314 PolarHBondContact O-N 2.73Å; E311-D314 PolarHBondContact O-N 2.64Å; D314-F316 VanDerWaalsContact C-N 3.32Å; D314-F316 PolarHBondContact O-N 2.91Å; D314-L317 PolarHBondContact O-N 3.41Å; D314-L317 VanDerWaalsContact O-N 3.14Å; D314-S318 PolarHBondContact O-N 3.05Å; D314-I325 HydrophobicContact CB-CD1 4.44Å
315R93.2Very high92Very high165 Ų16567.1 Ų67.162%0.62335%0.349SS*.Hα-helixtrans-59.4-42.1172.4-76-169.6-68.4-116.83.5112.5E311 D312 L317 S318E311-R315 WeakPolarHBondContact O-CB 3.24Å; E311-R315 WeakPolarHBondContact O-CG 3.46Å; E311-R315 PolarHBondContact O-N 3.09Å; D312-R315 IonicContact OD1-CZ 3.8Å; D312-R315 IonicContact OD1-NE 3.94Å; D312-R315 IonicContact OD1-NH2 2.72Å; D312-R315 PolarHBondContact OD1-NH2 3.31Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 3.16Å; R315-S318 WeakPolarHBondContact O-CB 3.27Å; R315-S318 PolarHBondContact O-N 3.37Å
316F94.7Very high91.9Very high18 Ų1869 Ų698%0.07936%0.356CS..Hα-helixtrans-62.4-35.1177.4177.1-99.6000111.8M301 D312 I313 D314 K355 E358 I360 I365 L367M301-F316 HydrophobicContact CE-CD1 3.77Å; M301-F316 HydrophobicContact CE-CE1 3.93Å; D312-F316 VanDerWaalsContact O-CB 3.24Å; D312-F316 WeakPolarHBondContact O-CB 3.4Å; D312-F316 PolarHBondContact O-N 3.36Å; I313-F316 WeakPolarHBondContact O-CB 3.48Å; I313-F316 PolarHBondContact O-N 3.45Å; D314-F316 VanDerWaalsContact C-N 3.32Å; D314-F316 PolarHBondContact O-N 2.91Å; F316-K355 HydrophobicContact CE1-CB 4.03Å; F316-K355 HydrophobicContact CZ-CB 3.92Å; F316-K355 WeakPolarHBondContact CZ-O 3.46Å; F316-K355 WeakPolarHBondContact O-CD 3.05Å; F316-K355 WeakPolarHBondContact O-CE 3.45Å; F316-K355 PolarHBondContact O-NZ 2.82Å; F316-E358 HydrophobicContact CE2-CB 3.43Å; F316-E358 VanDerWaalsContact CE2-CB 3.43Å; F316-E358 HydrophobicContact CZ-CB 3.78Å; F316-I360 HydrophobicContact CB-CD1 3.58Å; F316-I360 HydrophobicContact CB-CG1 3.83Å; F316-I360 HydrophobicContact CD1-CD1 4.1Å; F316-I360 HydrophobicContact CD2-CD1 3.85Å; F316-I360 HydrophobicContact CD2-CG1 3.39Å; F316-I360 HydrophobicContact CE2-CG1 4.02Å; F316-I360 HydrophobicContact CG-CD1 3.58Å; F316-I360 HydrophobicContact CG-CG1 3.68Å; F316-I365 HydrophobicContact CE1-CB 4.44Å; F316-I365 HydrophobicContact CE1-CG2 4.34Å; F316-I365 HydrophobicContact CE2-CB 4.48Å; F316-I365 HydrophobicContact CE2-CG1 4.27Å; F316-I365 HydrophobicContact CZ-CB 3.98Å; F316-I365 HydrophobicContact CZ-CG1 4.23Å; F316-I365 HydrophobicContact CZ-CG2 4.36Å; F316-L367 HydrophobicContact CE1-CD1 4.28Å; F316-L367 HydrophobicContact CE1-CD2 4.41Å
317L94.1Very high91.8Very high2 Ų263.3 Ų63.31%0.0134%0.335CS..Hα-helixtrans-89.4-13.6-177.9-66.6171.6000114I313 D314 R315 L320 P322 V341 F343 A352 K355I313-L317 HydrophobicContact CG2-CD1 3.8Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 WeakPolarHBondContact O-CG 3.29Å; I313-L317 PolarHBondContact O-N 3.43Å; D314-L317 PolarHBondContact O-N 3.41Å; D314-L317 VanDerWaalsContact O-N 3.14Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 3.16Å; L317-L320 VanDerWaalsContact O-CB 3.3Å; L317-L320 WeakPolarHBondContact O-CB 3.48Å; L317-L320 WeakPolarHBondContact O-CG 3.38Å; L317-L320 PolarHBondContact O-N 3.2Å; L317-P322 HydrophobicContact CB-CG 4.39Å; L317-P322 HydrophobicContact CD1-CG 3.75Å; L317-V341 HydrophobicContact CD1-CB 4.4Å; L317-V341 HydrophobicContact CD1-CG1 3.77Å; L317-V341 HydrophobicContact CD1-CG2 4.16Å; L317-F343 HydrophobicContact CD1-CZ 3.92Å; L317-F343 HydrophobicContact CD2-CZ 4.31Å; L317-A352 HydrophobicContact CD2-CB 4.16Å; L317-K355 PolarHBondContact O-NZ 3.5Å
318S90.3Very high91.6Very high75 Ų7561.8 Ų61.852%0.52431%0.314SS..THydrogen-bonded Turntrans-48.8124.9175.9-170.70000114D314 R315 K355D314-S318 PolarHBondContact O-N 3.05Å; R315-S318 WeakPolarHBondContact O-CB 3.27Å; R315-S318 PolarHBondContact O-N 3.37Å; S318-K355 PolarHBondContact O-NZ 3.15Å
319P92.5Very high91.3Very high119 Ų11966.5 Ų66.577%0.77333%0.333SS*.THydrogen-bonded Turncis-92.14.72236-37.7000115.6
320L91.6Very high90.8Very high30 Ų3067.1 Ų67.116%0.15733%0.334CS..SBendtrans-69.9149.4-179.2-54.4171.8000110.8L317 P322 F343 E351 A352L317-L320 VanDerWaalsContact O-CB 3.3Å; L317-L320 WeakPolarHBondContact O-CB 3.48Å; L317-L320 WeakPolarHBondContact O-CG 3.38Å; L317-L320 PolarHBondContact O-N 3.2Å; L320-P322 WeakPolarHBondContact O-CD 3.26Å; L320-F343 HydrophobicContact CB-CE1 3.95Å; L320-F343 HydrophobicContact CD1-CE1 4.32Å; L320-E351 HydrophobicContact CD1-CB 4.1Å; L320-E351 HydrophobicContact CD2-CB 3.82Å; L320-A352 HydrophobicContact CD1-CB 3.6Å; L320-A352 VanDerWaalsContact CD1-N 3.26Å
321Q88.3Confident90.4Very high154 Ų15466.4 Ų66.472%0.7235%0.348SS*.  trans-113.398.4180-64.2-157.3-50.800111.3V323Q321-V323 PolarHBondContact O-N 3.4Å
322P90.8Very high90.1Very high24 Ų2464.2 Ų64.216%0.15635%0.349CS..  trans-55.3131.9169.9-29.238.8000112.6L317 L320 I325 V341 D342 F343L317-P322 HydrophobicContact CB-CG 4.39Å; L317-P322 HydrophobicContact CD1-CG 3.75Å; L320-P322 WeakPolarHBondContact O-CD 3.26Å; P322-I325 HydrophobicContact CB-CD1 3.94Å; P322-I325 HydrophobicContact CB-CG1 3.7Å; P322-I325 HydrophobicContact CG-CD1 4.07Å; P322-I325 HydrophobicContact CG-CG1 4.26Å; P322-V341 HydrophobicContact CB-CG1 3.64Å; P322-V341 HydrophobicContact CG-CG1 3.85Å; P322-D342 CarbonylContact C-O 3.59Å; P322-F343 HydrophobicContact CG-CE1 4.37Å
323V89.9Confident89.6Confident81 Ų8168.9 Ų68.949%0.49137%0.374SS..SBendtrans-74.9-38.5170.7177.30000110.3T295 Q321 D342 A344T295-V323 HydrophobicContact CG2-CB 4.25Å; T295-V323 HydrophobicContact CG2-CG1 4.05Å; T295-V323 HydrophobicContact CG2-CG2 4.23Å; Q321-V323 PolarHBondContact O-N 3.4Å; V323-D342 PolarHBondContact N-O 2.88Å; V323-A344 HydrophobicContact CG2-CB 3.94Å
324N88Confident89Confident61 Ų6177.2 Ų77.233%0.32641%0.405SS..EExtended strand (participates in β ladder)trans-150.8139.9178.4-161.8-2.5000111.2V341 D342N324-V341 CarbonylContact O-C 3.57Å; N324-V341 WeakPolarHBondContact O-CA 3.36Å; N324-D342 HydrophobicContact CB-CB 4.1Å; N324-D342 PolarHBondContact N-O 2.86Å; N324-D342 PolarHBondContact O-N 2.85Å
325I91.6Very high88.7Confident16 Ų1675.2 Ų75.28%0.08240%0.396CS..EExtended strand (participates in β ladder)trans-123117.2176.4-57.8171.1000108.5K310 I313 D314 P322 V341K310-I325 HydrophobicContact CB-CG2 4.4Å; K310-I325 HydrophobicContact CD-CB 4.42Å; K310-I325 VanDerWaalsContact CE-O 3.28Å; K310-I325 WeakPolarHBondContact CE-O 3.24Å; K310-I325 HydrophobicContact CG-CB 4.49Å; K310-I325 HydrophobicContact CG-CG2 4.11Å; K310-I325 PolarHBondContact NZ-O 3.16Å; I313-I325 HydrophobicContact CB-CD1 4.31Å; I313-I325 HydrophobicContact CB-CG2 4.38Å; I313-I325 HydrophobicContact CD1-CG2 3.75Å; I313-I325 HydrophobicContact CG2-CD1 3.98Å; I313-I325 HydrophobicContact CG2-CG1 4.44Å; I313-I325 HydrophobicContact CG2-CG2 4.12Å; D314-I325 HydrophobicContact CB-CD1 4.44Å; P322-I325 HydrophobicContact CB-CD1 3.94Å; P322-I325 HydrophobicContact CB-CG1 3.7Å; P322-I325 HydrophobicContact CG-CD1 4.07Å; P322-I325 HydrophobicContact CG-CG1 4.26Å; I325-V341 HydrophobicContact CG1-CG1 4.26Å; I325-V341 HydrophobicContact CG1-CG2 4.4Å; I325-V341 HydrophobicContact CG2-CG2 4.41Å
326R89Confident88.6Confident48 Ų4870 Ų7018%0.18138%0.383CS..EExtended strand (participates in β ladder)trans-119105-177.6-66.8179.5-69.2-161.84109.9P291 Q292 A339 I340 D342P291-R326 PolarHBondContact O-NH1 3.27Å; P291-R326 PolarHBondContact O-NH2 3.07Å; Q292-R326 PolarHBondContact O-NH1 3.46Å; R326-A339 CarbonylContact O-C 3.58Å; R326-A339 WeakPolarHBondContact O-CA 3.34Å; R326-A339 WeakPolarHBondContact O-CB 3.45Å; R326-I340 PolarHBondContact N-O 2.76Å; R326-I340 PolarHBondContact O-N 3.43Å; R326-D342 IonicContact CZ-OD2 3.13Å; R326-D342 IonicContact NE-OD2 3.58Å; R326-D342 IonicContact NH1-OD2 3.72Å; R326-D342 IonicContact NH2-OD1 3.17Å; R326-D342 PolarHBondContact NH2-OD1 2.93Å; R326-D342 IonicContact NH2-OD2 2.79Å; R326-D342 PolarHBondContact NH2-OD2 3.49Å
327M90.6Very high88.5Confident33 Ų3369.4 Ų69.416%0.16338%0.382CS..EExtended strand (participates in β ladder)trans-82.4135.5174.7-59.7-171.569.800109.9L304 A308 K310 I313 F329 A339L304-M327 HydrophobicContact CD1-CE 4.28Å; A308-M327 WeakPolarHBondContact O-CE 3.21Å; K310-M327 HydrophobicContact CG-CG 4.41Å; K310-M327 HydrophobicContact CG-SD 4.18Å; I313-M327 HydrophobicContact CD1-CE 4.49Å; I313-M327 HydrophobicContact CD1-CG 4.17Å; I313-M327 HydrophobicContact CD1-SD 4.31Å; M327-F329 HydrophobicContact CB-CE2 3.78Å; M327-F329 HydrophobicContact CB-CZ 4.1Å; M327-F329 VanDerWaalsContact O-CD2 3.28Å; M327-F329 WeakPolarHBondContact O-CD2 3.33Å; M327-F329 WeakPolarHBondContact O-CE2 3.19Å; M327-A339 HydrophobicContact CG-CB 4.28Å
328R86.4Confident88.5Confident67 Ų6770.5 Ų70.525%0.25339%0.387SS..EExtended strand (participates in β ladder)trans-86.3129.4178.1-82.1-178.1152.2-145.8-18.4110.8Y288 D290 T336 E338Y288-R328 PolarHBondContact O-NH2 2.9Å; D290-R328 VanDerWaalsContact CG-CZ 3.41Å; D290-R328 IonicContact OD1-CZ 3.18Å; D290-R328 IonicContact OD1-NE 2.8Å; D290-R328 PolarHBondContact OD1-NE 3.29Å; D290-R328 IonicContact OD1-NH2 2.88Å; D290-R328 PolarHBondContact OD1-NH2 2.99Å; D290-R328 IonicContact OD2-CZ 3.11Å; D290-R328 IonicContact OD2-NE 3.38Å; D290-R328 PolarHBondContact OD2-NE 3.44Å; D290-R328 IonicContact OD2-NH1 3.86Å; D290-R328 IonicContact OD2-NH2 2.84Å; D290-R328 PolarHBondContact OD2-NH2 3.14Å; R328-T336 HydrophobicContact CB-CG2 4.41Å; R328-T336 VanDerWaalsContact CB-OG1 3.24Å; R328-T336 WeakPolarHBondContact CB-OG1 3.33Å; R328-T336 WeakPolarHBondContact O-CB 3.39Å; R328-T336 WeakPolarHBondContact O-CG2 3.45Å; R328-T336 PolarHBondContact O-N 2.85Å; R328-T336 PolarHBondContact O-OG1 2.79Å; R328-E338 HydrophobicContact CB-CB 4.25Å; R328-E338 PolarHBondContact N-O 3.42Å; R328-E338 IonicContact NH1-OE2 3.94Å
329F86.5Confident88.7Confident109 Ų10967 Ų6748%0.47836%0.362SS..EExtended strand (participates in β ladder)trans-115.1148.2175-61.7-92.5000110M327 R334 P335M327-F329 HydrophobicContact CB-CE2 3.78Å; M327-F329 HydrophobicContact CB-CZ 4.1Å; M327-F329 VanDerWaalsContact O-CD2 3.28Å; M327-F329 WeakPolarHBondContact O-CD2 3.33Å; M327-F329 WeakPolarHBondContact O-CE2 3.19Å; F329-R334 CarbonylContact C-O 3.59Å; F329-R334 VanDerWaalsContact CA-O 3.29Å; F329-R334 WeakPolarHBondContact CA-O 3.48Å; F329-P335 HydrophobicContact CD1-CB 4.26Å; F329-P335 HydrophobicContact CE1-CB 4.05Å
330N82.7Confident88.7Confident71 Ų7162 Ų6238%0.3833%0.329SS..  trans-81.4177.7174.269.810.4000111.5A332 N333 R334 T336N330-A332 PolarHBondContact O-N 3.2Å; N330-A332 WeakPolarHBondContact OD1-CA 3.35Å; N330-A332 WeakPolarHBondContact OD1-CB 3.44Å; N330-A332 PolarHBondContact OD1-N 3.48Å; N330-N333 WeakPolarHBondContact O-CA 3.48Å; N330-N333 PolarHBondContact O-N 2.96Å; N330-N333 PolarHBondContact OD1-N 3.11Å; N330-R334 PolarHBondContact N-O 3.48Å; N330-R334 WeakPolarHBondContact OD1-CB 3.21Å; N330-R334 PolarHBondContact OD1-N 3.47Å; N330-R334 PolarHBondContact OD1-O 3.08Å; N330-T336 HydrophobicContact CB-CG2 4.15Å
331A84.5Confident88.8Confident89 Ų8960.5 Ų60.574%0.73632%0.321SS*.THydrogen-bonded Turntrans-59.1-16.5178.300000114.7
332A85.2Confident88.9Confident67 Ų6753.2 Ų53.255%0.55429%0.287SS*.THydrogen-bonded Turntrans-97.717174.800000112.8N330 R334N330-A332 PolarHBondContact O-N 3.2Å; N330-A332 WeakPolarHBondContact OD1-CA 3.35Å; N330-A332 WeakPolarHBondContact OD1-CB 3.44Å; N330-A332 PolarHBondContact OD1-N 3.48Å; A332-R334 HydrophobicContact CB-CG 4.48Å; A332-R334 PolarHBondContact O-N 2.86Å; A332-R334 VanDerWaalsContact O-N 3.15Å
333N84.3Confident89Confident139 Ų13952 Ų5274%0.74328%0.28SS*.SBendtrans55.724.7-175.9-64.8-39.5000114.6N330N330-N333 WeakPolarHBondContact O-CA 3.48Å; N330-N333 PolarHBondContact O-N 2.96Å; N330-N333 PolarHBondContact OD1-N 3.11Å
334R81.5Confident88.9Confident175 Ų17551.1 Ų51.166%0.6628%0.28SS*.  trans-91.7139.2175.2-63.3-175.4174.6175.7-1.9110.6F329 N330 A332 T336F329-R334 CarbonylContact C-O 3.59Å; F329-R334 VanDerWaalsContact CA-O 3.29Å; F329-R334 WeakPolarHBondContact CA-O 3.48Å; N330-R334 PolarHBondContact N-O 3.48Å; N330-R334 WeakPolarHBondContact OD1-CB 3.21Å; N330-R334 PolarHBondContact OD1-N 3.47Å; N330-R334 PolarHBondContact OD1-O 3.08Å; A332-R334 HydrophobicContact CB-CG 4.48Å; A332-R334 PolarHBondContact O-N 2.86Å; A332-R334 VanDerWaalsContact O-N 3.15Å; R334-T336 PolarHBondContact O-N 3.15Å
335P87.9Confident88.9Confident36 Ų3650 Ų5023%0.23428%0.278CS..EExtended strand (participates in β ladder)trans-62.3131.2177.524.3-31.3000109.8Y306 F329 G337Y306-P335 HydrophobicContact CD1-CG 4.38Å; Y306-P335 VanDerWaalsContact CD1-O 3.24Å; Y306-P335 WeakPolarHBondContact CD1-O 3.5Å; Y306-P335 WeakPolarHBondContact CE1-O 3.3Å; Y306-P335 WeakPolarHBondContact O-CG 3.39Å; F329-P335 HydrophobicContact CD1-CB 4.26Å; F329-P335 HydrophobicContact CE1-CB 4.05Å; P335-G337 VanDerWaalsContact C-N 3.3Å
336T91.3Very high88.8Confident55 Ų5550.4 Ų50.434%0.33728%0.279SS..EExtended strand (participates in β ladder)trans-80.2-15.4-177.957.60000112.8R328 N330 R334 E338R328-T336 HydrophobicContact CB-CG2 4.41Å; R328-T336 VanDerWaalsContact CB-OG1 3.24Å; R328-T336 WeakPolarHBondContact CB-OG1 3.33Å; R328-T336 WeakPolarHBondContact O-CB 3.39Å; R328-T336 WeakPolarHBondContact O-CG2 3.45Å; R328-T336 PolarHBondContact O-N 2.85Å; R328-T336 PolarHBondContact O-OG1 2.79Å; N330-T336 HydrophobicContact CB-CG2 4.15Å; R334-T336 PolarHBondContact O-N 3.15Å; T336-E338 VanDerWaalsContact C-N 3.32Å; T336-E338 PolarHBondContact OG1-N 2.79Å
337G92.1Very high88.8Confident6 Ų653.1 Ų53.16%0.06230%0.297CS..EExtended strand (participates in β ladder)trans82.711.5-168.400000113.2R302 G303 L304 P335R302-G337 CarbonylContact C-O 3.58Å; G303-G337 PolarHBondContact N-O 3.46Å; L304-G337 PolarHBondContact N-O 3.01Å; L304-G337 WeakPolarHBondContact O-CA 3.41Å; P335-G337 VanDerWaalsContact C-N 3.3Å
338E93.5Very high88.9Confident26 Ų2654.3 Ų54.312%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-116.3146173.9-57.9-169.7167.400111R300 M301 R302 R328 T336R300-E338 IonicContact CZ-OE2 2.67Å; R300-E338 IonicContact NE-OE2 3.9Å; R300-E338 IonicContact NH2-OE1 2.82Å; R300-E338 IonicContact NH2-OE2 2.63Å; R300-E338 PolarHBondContact NH2-OE2 3.21Å; M301-E338 CarbonylContact O-C 3.44Å; M301-E338 VanDerWaalsContact O-CA 3.27Å; M301-E338 WeakPolarHBondContact O-CA 3.5Å; R302-E338 HydrophobicContact CG-CG 4.26Å; R302-E338 IonicContact CZ-OE1 3.18Å; R302-E338 IonicContact NH1-OE1 2.64Å; R302-E338 PolarHBondContact NH1-OE1 2.98Å; R328-E338 HydrophobicContact CB-CB 4.25Å; R328-E338 PolarHBondContact N-O 3.42Å; R328-E338 IonicContact NH1-OE2 3.94Å; T336-E338 VanDerWaalsContact C-N 3.32Å; T336-E338 PolarHBondContact OG1-N 2.79Å
339A94Very high89.2Confident0 Ų051.1 Ų51.10%029%0.29CS..EExtended strand (participates in β ladder)trans-144.1160171.300000110.7M301 L304 I313 R326 M327M301-A339 HydrophobicContact CB-CB 4.39Å; M301-A339 PolarHBondContact N-O 3.34Å; M301-A339 PolarHBondContact O-N 2.74Å; L304-A339 HydrophobicContact CD1-CB 3.5Å; L304-A339 VanDerWaalsContact CD1-CB 3.5Å; I313-A339 HydrophobicContact CD1-CB 4.04Å; R326-A339 CarbonylContact O-C 3.58Å; R326-A339 WeakPolarHBondContact O-CA 3.34Å; R326-A339 WeakPolarHBondContact O-CB 3.45Å; M327-A339 HydrophobicContact CG-CB 4.28Å
340I92.8Very high89.5Confident14 Ų1450.7 Ų50.77%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-120.5129.7170.9-62.8176.3000107.5D290 R300 R326D290-I340 HydrophobicContact CB-CD1 4.15Å; D290-I340 WeakPolarHBondContact OD1-CD1 3.26Å; D290-I340 VanDerWaalsContact OD2-CD1 3.27Å; D290-I340 WeakPolarHBondContact OD2-CD1 3.21Å; R300-I340 HydrophobicContact CG-CG1 4.36Å; R326-I340 PolarHBondContact N-O 2.76Å; R326-I340 PolarHBondContact O-N 3.43Å
341V93.5Very high90Very high0 Ų050.7 Ų50.70%029%0.286CS..EExtended strand (participates in β ladder)trans-116.6121.2-179.8-175.90000108.9S298 V299 M301 I313 L317 P322 N324 I325 F343S298-V341 CarbonylContact C-O 3.59Å; S298-V341 WeakPolarHBondContact CA-O 3.14Å; S298-V341 WeakPolarHBondContact CB-O 3.47Å; V299-V341 PolarHBondContact N-O 2.87Å; V299-V341 PolarHBondContact O-N 2.87Å; M301-V341 HydrophobicContact CG-CG2 4.01Å; M301-V341 HydrophobicContact SD-CG2 3.36Å; M301-V341 WeakPolarHBondContact SD-CG2 3.4Å; I313-V341 HydrophobicContact CG2-CG2 3.92Å; L317-V341 HydrophobicContact CD1-CB 4.4Å; L317-V341 HydrophobicContact CD1-CG1 3.77Å; L317-V341 HydrophobicContact CD1-CG2 4.16Å; P322-V341 HydrophobicContact CB-CG1 3.64Å; P322-V341 HydrophobicContact CG-CG1 3.85Å; N324-V341 CarbonylContact O-C 3.57Å; N324-V341 WeakPolarHBondContact O-CA 3.36Å; I325-V341 HydrophobicContact CG1-CG1 4.26Å; I325-V341 HydrophobicContact CG1-CG2 4.4Å; I325-V341 HydrophobicContact CG2-CG2 4.41Å; V341-F343 HydrophobicContact CB-CE2 4.24Å; V341-F343 HydrophobicContact CG1-CD2 4.4Å; V341-F343 HydrophobicContact CG1-CE1 4.44Å; V341-F343 HydrophobicContact CG1-CE2 3.8Å; V341-F343 HydrophobicContact CG1-CZ 3.83Å
342D91.2Very high90.5Very high0 Ų046.5 Ų46.50%025%0.251CS..EExtended strand (participates in β ladder)trans-92.5136.7174.4-62.2-46.4000109.7S293 S298 P322 V323 N324 R326S293-D342 WeakPolarHBondContact CA-OD1 3.45Å; S293-D342 WeakPolarHBondContact CB-OD1 3.39Å; S293-D342 PolarHBondContact OG-OD1 3.39Å; S298-D342 WeakPolarHBondContact CB-OD1 3.3Å; P322-D342 CarbonylContact C-O 3.59Å; V323-D342 PolarHBondContact N-O 2.88Å; N324-D342 HydrophobicContact CB-CB 4.1Å; N324-D342 PolarHBondContact N-O 2.86Å; N324-D342 PolarHBondContact O-N 2.85Å; R326-D342 IonicContact CZ-OD2 3.13Å; R326-D342 IonicContact NE-OD2 3.58Å; R326-D342 IonicContact NH1-OD2 3.72Å; R326-D342 IonicContact NH2-OD1 3.17Å; R326-D342 PolarHBondContact NH2-OD1 2.93Å; R326-D342 IonicContact NH2-OD2 2.79Å; R326-D342 PolarHBondContact NH2-OD2 3.49Å
343F92.4Very high91Very high0 Ų045.7 Ų45.70%024%0.237CC..  trans-114.5161.4176.3-70.1-80.7000110.9T295 H297 V299 L317 L320 P322 V341 S345 E348 A349 A352T295-F343 WeakPolarHBondContact CB-O 3.34Å; T295-F343 VanDerWaalsContact CG2-O 3.31Å; T295-F343 WeakPolarHBondContact CG2-O 3.47Å; T295-F343 PolarHBondContact OG1-O 3.13Å; H297-F343 PolarHBondContact O-N 3.26Å; V299-F343 HydrophobicContact CB-CE2 3.97Å; V299-F343 HydrophobicContact CG2-CD2 4.02Å; V299-F343 HydrophobicContact CG2-CE2 3.63Å; L317-F343 HydrophobicContact CD1-CZ 3.92Å; L317-F343 HydrophobicContact CD2-CZ 4.31Å; L320-F343 HydrophobicContact CB-CE1 3.95Å; L320-F343 HydrophobicContact CD1-CE1 4.32Å; P322-F343 HydrophobicContact CG-CE1 4.37Å; V341-F343 HydrophobicContact CB-CE2 4.24Å; V341-F343 HydrophobicContact CG1-CD2 4.4Å; V341-F343 HydrophobicContact CG1-CE1 4.44Å; V341-F343 HydrophobicContact CG1-CE2 3.8Å; V341-F343 HydrophobicContact CG1-CZ 3.83Å; F343-S345 VanDerWaalsContact C-N 3.31Å; F343-E348 HydrophobicContact CB-CB 3.96Å; F343-E348 HydrophobicContact CD1-CB 3.93Å; F343-E348 HydrophobicContact CG-CB 4.16Å; F343-A349 HydrophobicContact CB-CB 4.34Å; F343-A349 HydrophobicContact CD2-CB 3.96Å; F343-A349 HydrophobicContact CG-CB 4.4Å; F343-A352 HydrophobicContact CE1-CB 4.25Å; F343-A352 HydrophobicContact CE2-CB 3.74Å; F343-A352 HydrophobicContact CZ-CB 3.46Å; F343-A352 VanDerWaalsContact CZ-CB 3.46Å
344A88Confident91.4Very high61 Ų6145.9 Ų45.950%0.50423%0.231SC..SBendtrans-72.8-28.4-179.500000111.8V323 E348V323-A344 HydrophobicContact CG2-CB 3.94Å; A344-E348 WeakPolarHBondContact CB-OE2 3.38Å; A344-E348 PolarHBondContact N-OE2 3.39Å
345S86.9Confident91.9Very high39 Ų3939 Ų3927%0.27321%0.206SC..SBendtrans-138.9161.9-177.975.20000113.7F343 D347 E348 A349F343-S345 VanDerWaalsContact C-N 3.31Å; S345-D347 PolarHBondContact O-N 2.84Å; S345-D347 PolarHBondContact OG-N 3.38Å; S345-E348 WeakPolarHBondContact OG-CG 3.26Å; S345-E348 PolarHBondContact OG-N 3.31Å; S345-E348 VanDerWaalsContact OG-N 3.16Å; S345-A349 PolarHBondContact O-N 2.61Å
346H89.4Confident92.2Very high23 Ų2340.1 Ų40.111%0.10621%0.209CC..Hα-helixtrans-62.3-31.5171-179.370.5000112.8H297 A349 K350 S371H297-H346 PolarHBondContact ND1-N 3.01Å; H346-A349 PolarHBondContact O-N 3.46Å; H346-K350 WeakPolarHBondContact NE2-CD 3.36Å; H346-K350 WeakPolarHBondContact NE2-CE 3.39Å; H346-K350 PolarHBondContact NE2-NZ 2.91Å; H346-K350 PolarHBondContact O-N 2.92Å; H346-S371 PolarHBondContact CE1-O 2.85Å; H346-S371 PolarHBondContact ND1-OG 2.94Å
347D90.7Very high92.2Very high106 Ų10646.3 Ų46.357%0.56723%0.227SC*.Hα-helixtrans-69-46.4-179.6-162.465.6000111S345 A349 K350 E351S345-D347 PolarHBondContact O-N 2.84Å; S345-D347 PolarHBondContact OG-N 3.38Å; D347-A349 VanDerWaalsContact C-N 3.32Å; D347-A349 PolarHBondContact O-N 2.88Å; D347-K350 CarbonylContact O-C 3.59Å; D347-K350 WeakPolarHBondContact O-CA 3.15Å; D347-K350 WeakPolarHBondContact O-CB 3.2Å; D347-K350 PolarHBondContact O-N 2.8Å; D347-E351 WeakPolarHBondContact O-CG 3.45Å; D347-E351 PolarHBondContact O-N 2.81Å
348E92.1Very high92.2Very high57 Ų5750.6 Ų50.627%0.26625%0.245SC..Hα-helixtrans-59.6-41.6172.9-72.7177.9167.400112.3F343 A344 S345 K350 E351 A352F343-E348 HydrophobicContact CB-CB 3.96Å; F343-E348 HydrophobicContact CD1-CB 3.93Å; F343-E348 HydrophobicContact CG-CB 4.16Å; A344-E348 WeakPolarHBondContact CB-OE2 3.38Å; A344-E348 PolarHBondContact N-OE2 3.39Å; S345-E348 WeakPolarHBondContact OG-CG 3.26Å; S345-E348 PolarHBondContact OG-N 3.31Å; S345-E348 VanDerWaalsContact OG-N 3.16Å; E348-K350 VanDerWaalsContact C-N 3.27Å; E348-K350 PolarHBondContact O-N 3.07Å; E348-E351 PolarHBondContact O-N 3.43Å; E348-A352 PolarHBondContact O-N 3.33Å
349A92.7Very high92.2Very high0 Ų056.8 Ų56.80%027%0.272CS..Hα-helixtrans-62.3-34.8175.600000111.9V299 F343 S345 H346 D347 M353 L369V299-A349 HydrophobicContact CG2-CB 4.08Å; F343-A349 HydrophobicContact CB-CB 4.34Å; F343-A349 HydrophobicContact CD2-CB 3.96Å; F343-A349 HydrophobicContact CG-CB 4.4Å; S345-A349 PolarHBondContact O-N 2.61Å; H346-A349 PolarHBondContact O-N 3.46Å; D347-A349 VanDerWaalsContact C-N 3.32Å; D347-A349 PolarHBondContact O-N 2.88Å; A349-M353 WeakPolarHBondContact O-CG 3.31Å; A349-M353 PolarHBondContact O-N 3.32Å; A349-L369 HydrophobicContact CB-CD1 3.78Å
350K92.4Very high92.1Very high100 Ų10057.5 Ų57.544%0.43528%0.275SS..Hα-helixtrans-72.5-40.8173.6-86.1174.7161.9162.50112.7H346 D347 E348 A352 M353 L369H346-K350 WeakPolarHBondContact NE2-CD 3.36Å; H346-K350 WeakPolarHBondContact NE2-CE 3.39Å; H346-K350 PolarHBondContact NE2-NZ 2.91Å; H346-K350 PolarHBondContact O-N 2.92Å; D347-K350 CarbonylContact O-C 3.59Å; D347-K350 WeakPolarHBondContact O-CA 3.15Å; D347-K350 WeakPolarHBondContact O-CB 3.2Å; D347-K350 PolarHBondContact O-N 2.8Å; E348-K350 VanDerWaalsContact C-N 3.27Å; E348-K350 PolarHBondContact O-N 3.07Å; K350-A352 PolarHBondContact O-N 2.83Å; K350-M353 WeakPolarHBondContact O-CB 3Å; K350-M353 PolarHBondContact O-N 2.88Å; K350-M353 VanDerWaalsContact O-N 3.11Å; K350-L369 HydrophobicContact CG-CD2 4.27Å
351E94.1Very high92Very high72 Ų7259.8 Ų59.834%0.33630%0.302SS..Hα-helixtrans-60.9-37.7174.3-71.6-60.5116.300110.7L320 D347 E348 M353 K354L320-E351 HydrophobicContact CD1-CB 4.1Å; L320-E351 HydrophobicContact CD2-CB 3.82Å; D347-E351 WeakPolarHBondContact O-CG 3.45Å; D347-E351 PolarHBondContact O-N 2.81Å; E348-E351 PolarHBondContact O-N 3.43Å; E351-M353 VanDerWaalsContact C-N 3.26Å; E351-M353 PolarHBondContact O-N 3.01Å; E351-K354 WeakPolarHBondContact O-CB 3.27Å; E351-K354 PolarHBondContact O-N 3.13Å; E351-K354 VanDerWaalsContact O-N 3.13Å; E351-K354 WeakPolarHBondContact OE1-CE 3.14Å; E351-K354 IonicContact OE1-NZ 3.5Å; E351-K354 PolarHBondContact OE1-NZ 3.01Å; E351-K354 WeakPolarHBondContact OE2-CE 3.19Å; E351-K354 IonicContact OE2-NZ 3.07Å; E351-K354 PolarHBondContact OE2-NZ 3.5Å
352A94.6Very high91.9Very high0 Ų065.4 Ų65.40%034%0.339CS..Hα-helixtrans-60.4-35.5174.800000112.4V299 L317 L320 F343 E348 K350 K354 K355 L367V299-A352 HydrophobicContact CG2-CB 4.24Å; L317-A352 HydrophobicContact CD2-CB 4.16Å; L320-A352 HydrophobicContact CD1-CB 3.6Å; L320-A352 VanDerWaalsContact CD1-N 3.26Å; F343-A352 HydrophobicContact CE1-CB 4.25Å; F343-A352 HydrophobicContact CE2-CB 3.74Å; F343-A352 HydrophobicContact CZ-CB 3.46Å; F343-A352 VanDerWaalsContact CZ-CB 3.46Å; E348-A352 PolarHBondContact O-N 3.33Å; K350-A352 PolarHBondContact O-N 2.83Å; A352-K354 PolarHBondContact O-N 3.41Å; A352-K354 VanDerWaalsContact O-N 3.15Å; A352-K355 PolarHBondContact O-N 3.42Å; A352-L367 WeakPolarHBondContact O-CD1 3.35Å
353M94.6Very high91.9Very high51 Ų5169.6 Ų69.625%0.25136%0.355SS..Hα-helixtrans-63-19.6178.5-62.7-60.2-60.200113.4V299 A349 K350 E351 K355 D356 L367 L369V299-M353 HydrophobicContact CG1-SD 4.05Å; V299-M353 HydrophobicContact CG2-SD 4.31Å; A349-M353 WeakPolarHBondContact O-CG 3.31Å; A349-M353 PolarHBondContact O-N 3.32Å; K350-M353 WeakPolarHBondContact O-CB 3Å; K350-M353 PolarHBondContact O-N 2.88Å; K350-M353 VanDerWaalsContact O-N 3.11Å; E351-M353 VanDerWaalsContact C-N 3.26Å; E351-M353 PolarHBondContact O-N 3.01Å; M353-K355 PolarHBondContact O-N 3.01Å; M353-D356 VanDerWaalsContact O-CB 3.3Å; M353-D356 WeakPolarHBondContact O-CB 3.37Å; M353-D356 PolarHBondContact O-N 2.87Å; M353-D356 VanDerWaalsContact O-N 3.08Å; M353-L367 HydrophobicContact CE-CB 4.09Å; M353-L367 WeakPolarHBondContact CE-O 3.39Å; M353-L367 HydrophobicContact SD-CB 3.89Å; M353-L369 HydrophobicContact CE-CB 4.23Å; M353-L369 HydrophobicContact CG-CB 4.11Å; M353-L369 HydrophobicContact CG-CD1 4.09Å; M353-L369 HydrophobicContact SD-CB 3.81Å; M353-L369 HydrophobicContact SD-CD1 4.41Å; M353-L369 PolarHBondContact SD-N 3.15Å
354K94Very high92Very high142 Ų14273.7 Ų73.762%0.61737%0.371SS*.THydrogen-bonded Turntrans-64.7-19.8175.2-63.4179.9-178.6169.70112.7E351 A352 D356E351-K354 WeakPolarHBondContact O-CB 3.27Å; E351-K354 PolarHBondContact O-N 3.13Å; E351-K354 VanDerWaalsContact O-N 3.13Å; E351-K354 WeakPolarHBondContact OE1-CE 3.14Å; E351-K354 IonicContact OE1-NZ 3.5Å; E351-K354 PolarHBondContact OE1-NZ 3.01Å; E351-K354 WeakPolarHBondContact OE2-CE 3.19Å; E351-K354 IonicContact OE2-NZ 3.07Å; E351-K354 PolarHBondContact OE2-NZ 3.5Å; A352-K354 PolarHBondContact O-N 3.41Å; A352-K354 VanDerWaalsContact O-N 3.15Å; K354-D356 VanDerWaalsContact C-N 3.32Å
355K92Very high92.3Very high31 Ų3170.8 Ų70.814%0.13535%0.347CS..THydrogen-bonded Turntrans-907.4175.9-60-171.1169.5176.90113.5F316 L317 S318 A352 M353 R357 E358 L367F316-K355 HydrophobicContact CE1-CB 4.03Å; F316-K355 HydrophobicContact CZ-CB 3.92Å; F316-K355 WeakPolarHBondContact CZ-O 3.46Å; F316-K355 WeakPolarHBondContact O-CD 3.05Å; F316-K355 WeakPolarHBondContact O-CE 3.45Å; F316-K355 PolarHBondContact O-NZ 2.82Å; L317-K355 PolarHBondContact O-NZ 3.5Å; S318-K355 PolarHBondContact O-NZ 3.15Å; A352-K355 PolarHBondContact O-N 3.42Å; M353-K355 PolarHBondContact O-N 3.01Å; K355-R357 PolarHBondContact O-N 2.67Å; K355-E358 HydrophobicContact CB-CG 4.39Å; K355-E358 WeakPolarHBondContact O-CB 3.29Å; K355-E358 PolarHBondContact O-N 3.03Å; K355-E358 VanDerWaalsContact O-N 3.07Å; K355-L367 HydrophobicContact CB-CD1 4.16Å
356D93.7Very high92.7Very high59 Ų5971.4 Ų71.432%0.31635%0.345SS..THydrogen-bonded Turntrans-55.1133.2175-17647.3000110M353 K354 E358 E366 L367M353-D356 VanDerWaalsContact O-CB 3.3Å; M353-D356 WeakPolarHBondContact O-CB 3.37Å; M353-D356 PolarHBondContact O-N 2.87Å; M353-D356 VanDerWaalsContact O-N 3.08Å; K354-D356 VanDerWaalsContact C-N 3.32Å; D356-E358 VanDerWaalsContact C-N 3.26Å; D356-E358 PolarHBondContact O-N 3.24Å; D356-E366 WeakPolarHBondContact OD1-CA 3.28Å; D356-L367 HydrophobicContact CB-CB 4.27Å; D356-L367 PolarHBondContact OD1-N 3.06Å
357R91.3Very high92.9Very high186 Ų18670.6 Ų70.670%0.70234%0.342SS*.THydrogen-bonded Turntrans70.85.2-176.8-50.5174.4178.7-168.4-6.9116.4K355 I365K355-R357 PolarHBondContact O-N 2.67Å; R357-I365 WeakPolarHBondContact CA-O 3.21Å; R357-I365 PolarHBondContact N-O 3.11Å
358E92.8Very high93Very high96 Ų9670.4 Ų70.445%0.44934%0.336SS..  trans-68.5168.1166.3-70.2-170.8-165.200111.5F316 K355 D356 Y364 I365F316-E358 HydrophobicContact CE2-CB 3.43Å; F316-E358 VanDerWaalsContact CE2-CB 3.43Å; F316-E358 HydrophobicContact CZ-CB 3.78Å; K355-E358 HydrophobicContact CB-CG 4.39Å; K355-E358 WeakPolarHBondContact O-CB 3.29Å; K355-E358 PolarHBondContact O-N 3.03Å; K355-E358 VanDerWaalsContact O-N 3.07Å; D356-E358 VanDerWaalsContact C-N 3.26Å; D356-E358 PolarHBondContact O-N 3.24Å; E358-Y364 CarbonylContact O-C 3.57Å; E358-Y364 WeakPolarHBondContact O-CA 3.5Å; E358-I365 PolarHBondContact O-N 3.42Å
359K92Very high93Very high156 Ų15671.1 Ų71.168%0.67834%0.341SS*.EExtended strand (participates in β ladder)trans-106.9139.8-171.1-66.6179.6-177.5173.50112.9R363K359-R363 CarbonylContact C-O 3.51Å; K359-R363 VanDerWaalsContact CA-O 3.23Å; K359-R363 WeakPolarHBondContact CA-O 3.4Å
360I93Very high92.7Very high15 Ų1573.6 Ų73.68%0.07736%0.362CS..EExtended strand (participates in β ladder)trans-114112.8159.4-61.7177.6000106.8M301 L304 P305 D312 F316 R363 I365M301-I360 HydrophobicContact CE-CD1 4.41Å; L304-I360 HydrophobicContact CD2-CD1 3.72Å; P305-I360 HydrophobicContact CG-CG2 4.25Å; P305-I360 WeakPolarHBondContact CG-O 3.49Å; D312-I360 HydrophobicContact CB-CG2 4.06Å; F316-I360 HydrophobicContact CB-CD1 3.58Å; F316-I360 HydrophobicContact CB-CG1 3.83Å; F316-I360 HydrophobicContact CD1-CD1 4.1Å; F316-I360 HydrophobicContact CD2-CD1 3.85Å; F316-I360 HydrophobicContact CD2-CG1 3.39Å; F316-I360 HydrophobicContact CE2-CG1 4.02Å; F316-I360 HydrophobicContact CG-CD1 3.58Å; F316-I360 HydrophobicContact CG-CG1 3.68Å; I360-R363 PolarHBondContact N-O 2.77Å; I360-R363 PolarHBondContact O-N 2.61Å; I360-I365 HydrophobicContact CB-CD1 4.06Å; I360-I365 HydrophobicContact CB-CG1 4.07Å; I360-I365 HydrophobicContact CD1-CD1 4.17Å; I360-I365 HydrophobicContact CD1-CG1 3.8Å; I360-I365 HydrophobicContact CG1-CD1 4.17Å; I360-I365 HydrophobicContact CG1-CG1 3.69Å
361G90.7Very high92.2Very high62 Ų6269.6 Ų69.664%0.63935%0.346SS*.THydrogen-bonded Turntrans54.8-124.2-173.500000111.9
362P90.7Very high91.2Very high118 Ų11869.7 Ų69.777%0.76635%0.352SS*.THydrogen-bonded Turntrans-85.2-0.8-176.633.7-34.5000114.7
363R92Very high90Very high87 Ų8774.6 Ų74.633%0.32838%0.384SS..EExtended strand (participates in β ladder)trans-118.6141.6-173.1-59.7-175.970.4138.71.7111.8G303 P305 K359 I360G303-R363 WeakPolarHBondContact O-CB 3.31Å; G303-R363 VanDerWaalsContact O-CD 3.25Å; G303-R363 WeakPolarHBondContact O-CD 3.35Å; G303-R363 PolarHBondContact O-NE 3.4Å; P305-R363 HydrophobicContact CG-CB 4.18Å; P305-R363 HydrophobicContact CG-CG 4.17Å; K359-R363 CarbonylContact C-O 3.51Å; K359-R363 VanDerWaalsContact CA-O 3.23Å; K359-R363 WeakPolarHBondContact CA-O 3.4Å; I360-R363 PolarHBondContact N-O 2.77Å; I360-R363 PolarHBondContact O-N 2.61Å
364Y93.5Very high88.5Confident87 Ų8782 Ų8234%0.34142%0.415SS..EExtended strand (participates in β ladder)trans-77.4145.5165.455.2-91.7000109.5R44 E358 E366R44-Y364 PolarHBondContact NH2-OH 3.4Å; E358-Y364 CarbonylContact O-C 3.57Å; E358-Y364 WeakPolarHBondContact O-CA 3.5Å; Y364-E366 HydrophobicContact CD2-CG 4.27Å; Y364-E366 HydrophobicContact CE2-CG 4.35Å
365I94.8Very high86.7Confident0 Ų076 Ų760%039%0.393CS..  trans-107.5127.7-178.1-53.6-49.6000108.8M301 R302 G303 L304 F316 R357 E358 I360 L367M301-I365 HydrophobicContact CB-CG2 4.3Å; M301-I365 HydrophobicContact CE-CG2 3.71Å; R302-I365 WeakPolarHBondContact O-CA 3.1Å; G303-I365 WeakPolarHBondContact O-CD1 3.32Å; L304-I365 HydrophobicContact CD2-CD1 3.89Å; L304-I365 HydrophobicContact CG-CD1 4.46Å; F316-I365 HydrophobicContact CE1-CB 4.44Å; F316-I365 HydrophobicContact CE1-CG2 4.34Å; F316-I365 HydrophobicContact CE2-CB 4.48Å; F316-I365 HydrophobicContact CE2-CG1 4.27Å; F316-I365 HydrophobicContact CZ-CB 3.98Å; F316-I365 HydrophobicContact CZ-CG1 4.23Å; F316-I365 HydrophobicContact CZ-CG2 4.36Å; R357-I365 WeakPolarHBondContact CA-O 3.21Å; R357-I365 PolarHBondContact N-O 3.11Å; E358-I365 PolarHBondContact O-N 3.42Å; I360-I365 HydrophobicContact CB-CD1 4.06Å; I360-I365 HydrophobicContact CB-CG1 4.07Å; I360-I365 HydrophobicContact CD1-CD1 4.17Å; I360-I365 HydrophobicContact CD1-CG1 3.8Å; I360-I365 HydrophobicContact CG1-CD1 4.17Å; I360-I365 HydrophobicContact CG1-CG1 3.69Å; I365-L367 HydrophobicContact CG2-CD2 3.77Å; I365-L367 HydrophobicContact CG2-CG 4.48Å
366E94.6Very high84.9Confident51 Ų5178.4 Ų78.424%0.23841%0.407CS..EExtended strand (participates in β ladder)trans-95.9127173.3-60.9173131.600108.1M301 R302 D356 Y364 F368M301-E366 CarbonylContact C-O 3.57Å; M301-E366 WeakPolarHBondContact CA-O 3.19Å; R302-E366 HydrophobicContact CB-CB 4.36Å; R302-E366 PolarHBondContact N-O 3.48Å; R302-E366 IonicContact NE-OE2 3.71Å; R302-E366 PolarHBondContact O-N 3.16Å; D356-E366 WeakPolarHBondContact OD1-CA 3.28Å; Y364-E366 HydrophobicContact CD2-CG 4.27Å; Y364-E366 HydrophobicContact CE2-CG 4.35Å; E366-F368 HydrophobicContact CB-CE2 3.74Å; E366-F368 HydrophobicContact CB-CZ 4.06Å
367L94.6Very high82.4Confident6 Ų679.7 Ų79.73%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-109135.6178.7-57.9-177.2000109.8V299 R300 M301 F316 A352 M353 K355 D356 I365V299-L367 HydrophobicContact CG1-CB 3.9Å; V299-L367 HydrophobicContact CG1-CD2 4.03Å; V299-L367 HydrophobicContact CG1-CG 4.41Å; R300-L367 CarbonylContact O-C 3.37Å; R300-L367 WeakPolarHBondContact O-CA 3.2Å; M301-L367 HydrophobicContact CB-CD2 4.14Å; M301-L367 HydrophobicContact CE-CD2 3.95Å; M301-L367 HydrophobicContact CG-CD2 3.59Å; M301-L367 HydrophobicContact SD-CD2 4.45Å; F316-L367 HydrophobicContact CE1-CD1 4.28Å; F316-L367 HydrophobicContact CE1-CD2 4.41Å; A352-L367 WeakPolarHBondContact O-CD1 3.35Å; M353-L367 HydrophobicContact CE-CB 4.09Å; M353-L367 WeakPolarHBondContact CE-O 3.39Å; M353-L367 HydrophobicContact SD-CB 3.89Å; K355-L367 HydrophobicContact CB-CD1 4.16Å; D356-L367 HydrophobicContact CB-CB 4.27Å; D356-L367 PolarHBondContact OD1-N 3.06Å; I365-L367 HydrophobicContact CG2-CD2 3.77Å; I365-L367 HydrophobicContact CG2-CG 4.48Å
368F93.3Very high80Confident102 Ų10274.7 Ų74.745%0.44741%0.411SS..EExtended strand (participates in β ladder)trans-126.1121.3177.2-56.4-92.1000109.2V299 R300 R302 E366 A370V299-F368 WeakPolarHBondContact CA-O 3.33Å; R300-F368 HydrophobicContact CB-CB 4.28Å; R300-F368 PolarHBondContact N-O 3.17Å; R300-F368 PolarHBondContact O-N 2.79Å; R302-F368 HydrophobicContact CB-CE2 4.11Å; E366-F368 HydrophobicContact CB-CE2 3.74Å; E366-F368 HydrophobicContact CB-CZ 4.06Å; F368-A370 PolarHBondContact O-N 2.97Å
369L91.1Very high77.4Confident72 Ų7275.4 Ų75.438%0.37743%0.427SS..EExtended strand (participates in β ladder)trans-70.9118.7-180-17365.5000110.1V299 A349 K350 M353V299-L369 HydrophobicContact CG2-CD1 4.29Å; A349-L369 HydrophobicContact CB-CD1 3.78Å; K350-L369 HydrophobicContact CG-CD2 4.27Å; M353-L369 HydrophobicContact CE-CB 4.23Å; M353-L369 HydrophobicContact CG-CB 4.11Å; M353-L369 HydrophobicContact CG-CD1 4.09Å; M353-L369 HydrophobicContact SD-CB 3.81Å; M353-L369 HydrophobicContact SD-CD1 4.41Å; M353-L369 PolarHBondContact SD-N 3.15Å
370A87.1Confident74.9Confident52 Ų5270.6 Ų70.643%0.4341%0.413SS..EExtended strand (participates in β ladder)trans-117.756.7173.400000109.3S298 F368S298-A370 PolarHBondContact N-O 2.93Å; S298-A370 VanDerWaalsContact N-O 3.08Å; S298-A370 CarbonylContact O-C 3.55Å; S298-A370 VanDerWaalsContact O-CA 3.26Å; S298-A370 WeakPolarHBondContact O-CA 3.36Å; S298-A370 PolarHBondContact O-N 3.2Å; S298-A370 WeakPolarHBondContact OG-CB 3.34Å; S298-A370 PolarHBondContact OG-O 3Å; F368-A370 PolarHBondContact O-N 2.97Å
371S82Confident72.1Confident16 Ų1678.2 Ų78.211%0.11244%0.441CS..EExtended strand (participates in β ladder)trans-144.4137.6-175.1-178.30000111H297 H346H297-S371 WeakPolarHBondContact CA-OG 3.28Å; H297-S371 WeakPolarHBondContact CB-OG 3.16Å; H297-S371 PolarHBondContact ND1-OG 2.97Å; H346-S371 PolarHBondContact CE1-O 2.85Å; H346-S371 PolarHBondContact ND1-OG 2.94Å
372T73.8Confident69.6Low74 Ų7482.1 Ų82.145%0.45445%0.446SS..  trans-112.2147.8171.562.30000110.7H297 K374 G375H297-T372 PolarHBondContact CE1-O 3.03Å; H297-T372 VanDerWaalsContact CE1-O 3.27Å; H297-T372 PolarHBondContact ND1-O 2.92Å; T372-K374 PolarHBondContact O-N 3.41Å; T372-K374 VanDerWaalsContact O-N 3.13Å; T372-G375 PolarHBondContact O-N 3.13Å; T372-G375 VanDerWaalsContact O-N 3.07Å; T372-G375 PolarHBondContact OG1-O 3.29Å
373P68.1Low67.1Low104 Ų10482.2 Ų82.268%0.67544%0.44SS*.THydrogen-bonded Turntrans-60.4-24.4180-19.527.8000113.9
374K62.6Low64.4Low206 Ų20685.9 Ų85.990%0.89647%0.466SS*.THydrogen-bonded Turntrans-90.20.8-179.6-72.3-176.9175.8179.80113.5T372T372-K374 PolarHBondContact O-N 3.41Å; T372-K374 VanDerWaalsContact O-N 3.13Å
375G58.2Low61.6Low15 Ų1586.4 Ų86.416%0.15548%0.482CS..  trans67.7168.8-169.700000112T372 S377T372-G375 PolarHBondContact O-N 3.13Å; T372-G375 VanDerWaalsContact O-N 3.07Å; T372-G375 PolarHBondContact OG1-O 3.29Å; G375-S377 PolarHBondContact O-N 3.1Å
376I53.1Low58.7Low83 Ų8390.6 Ų90.643%0.42652%0.517SS..  trans-62.6111.2175-69.1173.4000108.6G296G296-I376 VanDerWaalsContact CA-CG1 3.45Å
377S40.9Very low55.9Low85 Ų8594 Ų9459%0.59454%0.543SS*.  trans-56.4135.9165490000109.2G375 S379G375-S377 PolarHBondContact O-N 3.1Å; S377-S379 PolarHBondContact O-N 2.77Å
378P40.4Very low53Low81 Ų81100.6 Ų100.653%0.52658%0.584SS.*G310 helixtrans-64.29.4-167.324.3-33.8000116.8S380 R381P378-S380 PolarHBondContact O-N 3.16Å; P378-R381 PolarHBondContact O-N 3.19Å; P378-R381 VanDerWaalsContact O-N 3.16Å
379S38.5Very low50.5Low111 Ų111101.2 Ų101.278%0.77660%0.601SS**G310 helixtrans-73.2-3.3-176.1-620000115.5S377S377-S379 PolarHBondContact O-N 2.77Å
380S39.2Very low48Very low55 Ų55102.5 Ų102.539%0.38562%0.616SS.*G310 helixtrans-103.45.3169.669.60000114Q292 P378 I382Q292-S380 PolarHBondContact NE2-O 3.37Å; P378-S380 PolarHBondContact O-N 3.16Å; S380-I382 PolarHBondContact O-N 3.07Å
381R34.3Very low45.8Very low175 Ų175111.5 Ų111.566%0.6664%0.638SS**  trans-80.665.2169.4-65-171-149.2158.95.7110.6P378 N383P378-R381 PolarHBondContact O-N 3.19Å; P378-R381 VanDerWaalsContact O-N 3.16Å; R381-N383 VanDerWaalsContact C-N 3.3Å; R381-N383 PolarHBondContact O-N 3.03Å
382I39.5Very low43.7Very low144 Ų144122.4 Ų122.474%0.73868%0.677SS**  trans-88.185.8160.5-58.6179.6000106.3S380 N384S380-I382 PolarHBondContact O-N 3.07Å; I382-N384 PolarHBondContact O-N 3.25Å; I382-N384 VanDerWaalsContact O-N 3.13Å
383N37.3Very low41.8Very low121 Ų121124.7 Ų124.765%0.64770%0.696SS**  trans-65.1107.1171.2-70.9-14.7000108.5R381 S385R381-N383 VanDerWaalsContact C-N 3.3Å; R381-N383 PolarHBondContact O-N 3.03Å; N383-S385 PolarHBondContact O-N 3.26Å
384N36.6Very low40.9Very low163 Ų163125.4 Ų125.487%0.87270%0.701SS**SBendtrans-68.867.3160.2-80-21.2000109.4I382I382-N384 PolarHBondContact O-N 3.25Å; I382-N384 VanDerWaalsContact O-N 3.13Å
385S33Very low39.9Very low99 Ų99121.7 Ų121.769%0.69270%0.698SS**  trans-163.165174.650.50000110.6N383N383-S385 PolarHBondContact O-N 3.26Å
386A35.7Very low38.8Very low87 Ų87127 Ų12772%0.71973%0.727SS**  trans-131.9129.4161.900000109.5
387P35.4Very low38.3Very low122 Ų122132.1 Ų132.179%0.79275%0.749SS**  trans-71.1135.3-17328.8-32.1000110.7S389P387-S389 PolarHBondContact O-N 3.13Å; P387-S389 VanDerWaalsContact O-N 3.08Å
388V33.8Very low38Very low146 Ų146135 Ų13589%0.88576%0.757SS**  trans-57.2110.3172.9171.60000109.3
389S41Very low38Very low115 Ų115136.4 Ų136.480%0.80477%0.769SS**  trans-105.4115.8160.6-95.40000109.6P387P387-S389 PolarHBondContact O-N 3.13Å; P387-S389 VanDerWaalsContact O-N 3.08Å
390S37.5Very low37.8Very low99 Ų99143.3 Ų143.369%0.69278%0.778SS**  trans-52.2136.8171.940.30000113
391R40.9Very low37.7Very low240 Ų240144.3 Ų144.391%0.90680%0.797SS**  trans178.799.7145.9-96.4160.3-141.7-130.210.9108.6
392R37.6Very low38.3Very low245 Ų245144.2 Ų144.293%0.92580%0.804SS**  59.5102.5104-90.1-171.4-180-155.60.4114.1
393S35.1Very low38.4Very low123 Ų123145.5 Ų145.586%0.8681%0.807SS**  trans-61.1146.7162.5-35.80000111.8
394P49Very low38.3Very low119 Ų119143 Ų14377%0.77381%0.809SS**  trans-112.8157.4153.230.4-16.9000112.4
395P40.1Very low38.7Very low128 Ų128140.3 Ų140.383%0.83180%0.803SS**  trans-94.1167.4-164.837.6-34.2000114.9
396V36.7Very low39Very low126 Ų126142.7 Ų142.776%0.76480%0.804SS**  trans-57.9139.8178.4-1790000113.7
397H40.8Very low38.9Very low191 Ų191148.6 Ų148.688%0.88481%0.809SS**  trans-153.5135.2143.7-112.865.2000113.5
398N35.2Very low39.1Very low144 Ų144147 Ų14777%0.7781%0.805SS**  trans-58.2152.4176.3-96.7-17.2000114.1
399S40Very low39.1Very low111 Ų111146.8 Ų146.878%0.77680%0.799SS**  173.4120.6112-75.90000114.6
400R35.4Very low38.9Very low257 Ų257151.8 Ų151.897%0.9781%0.807SS**  trans37.1132.9133.6-74.8176.7166.1159.6-4.5122.1
401G37.3Very low39Very low75 Ų75151.7 Ų151.777%0.77381%0.813SS**  trans156.278.5151.600000113.1
402H46.1Very low38.8Very low173 Ų173146.3 Ų146.380%0.80181%0.808SS**  73.9119.191-115.9-21.2000117.6
403Q41.2Very low38.8Very low172 Ų172142.7 Ų142.780%0.80480%0.802SS**  trans93.9132.4139.2-57.4-176.431.600122
404G34.9Very low38.4Very low68 Ų68145.9 Ų145.970%0.70180%0.803SS**  trans130.686.9154.200000113.9
405S45.1Very low37.8Very low107 Ų107150.2 Ų150.275%0.74881%0.806SS**  56.1129.989.9-95.50000113.3
406Q40.6Very low37.3Very low149 Ų149153.1 Ų153.170%0.69681%0.808SS**  cis-176.6151.632.1-101.8162.325.700111.3
407Y32.8Very low37.2Very low211 Ų211156 Ų15683%0.82781%0.807SS**  trans34.5148.8146.2-51.5-67.7000121.3
408A39.6Very low36.8Very low87 Ų87153.9 Ų153.972%0.71980%0.802SS**  cis-164.3144.428.400000112.8
409N35.1Very low36.6Very low143 Ų143154 Ų15477%0.76580%0.802SS**  trans4.5131.8146.1-60.7-40.9000120.8
410F36.5Very low36.4Very low219 Ų219156 Ų15696%0.96180%0.803SS**  -153.1135.7123-93.7-76.3000110.1
411A38.2Very low36.2Very low98 Ų98150.6 Ų150.681%0.8179%0.793SS**  trans-73.8159.9-168.600000114.9
412P37.5Very low36Very low126 Ų126157.5 Ų157.582%0.81880%0.797SS**  trans-113.9145.5149.731.4-17.8000112.3
413Q38.6Very low35.2Very low170 Ų170153.1 Ų153.179%0.79479%0.792SS**  trans-63.6148.9-176.1-66.4170.2-6.300112.8
414Q26.3Very low35Very low190 Ų190153.7 Ų153.789%0.88879%0.794SS**  trans-63128.5172.5-66.1167.1-28.900110.4
415Y35.9Very low35Very low209 Ų209157.9 Ų157.982%0.8280%0.801SS**  trans-130.3120.9150-80.7-80.1000107.8
416E30Very low34.7Very low189 Ų189160.3 Ų160.388%0.88381%0.811SS**  trans-53.2135.2176.1-104.1159.9141.700111.5
417Y34.4Very low34.2Very low188 Ų188156 Ų15674%0.73781%0.806SS**  trans-99.8106.2172-131.8-91.5000106.7D419Y417-D419 PolarHBondContact O-N 2.85Å; Y417-D419 VanDerWaalsContact O-N 3.16Å
418D32.2Very low34.2Very low145 Ų145152.2 Ų152.278%0.77581%0.809SS**  trans-75.598.3164.7-78.6-41.1000108.3I420D418-I420 PolarHBondContact O-N 3.08Å
419D31.9Very low33.8Very low146 Ų146155.8 Ų155.878%0.78182%0.816SS**  trans-66.4102.2161.7-86.9-36.5000108.8Y417Y417-D419 PolarHBondContact O-N 2.85Å; Y417-D419 VanDerWaalsContact O-N 3.16Å
420I35.3Very low34Very low155 Ų155154.7 Ų154.780%0.79582%0.82SS**  trans-115.8100.7160.734.5172.8000109.4D418D418-I420 PolarHBondContact O-N 3.08Å
421N31.5Very low33.8Very low143 Ų143147.5 Ų147.577%0.76581%0.807SS**  trans-44.1149.6141-80.9-53.5000109.2
422Y31.5Very low33.8Very low219 Ų219148.3 Ų148.386%0.85981%0.807SS**  173.4113.4123.5-100.3-82.1000108.4
423A30.5Very low33.8Very low82 Ų82147.5 Ų147.568%0.67880%0.804SS**  trans-61.5149.6143.600000108.3
424E35.9Very low33.7Very low184 Ų184151.1 Ų151.186%0.8681%0.81SS**  trans90.3140.9165.4-50.3-174.2140.700118.8
425D35.7Very low34.3Very low156 Ų156147.6 Ų147.683%0.83480%0.804SS**  trans78.895.6168.1-76.4-22.6000122.3
426V38.2Very low34.2Very low158 Ų158145 Ų14596%0.95880%0.804SS**  trans-124.489.1133.8-950000109.2
427G30.7Very low34.6Very low59 Ų59145.7 Ų145.761%0.60881%0.805SS**  trans-109.5119.8155.200000109.3
428C33.2Very low34.7Very low131 Ų131144.8 Ų144.889%0.88581%0.813SS**  trans-164.887.4156.7-95.40000110.6
429N31Very low35.2Very low162 Ų162146.4 Ų146.487%0.86682%0.816SS**  25114.3127.6-150.217.5000119.6
430S38.7Very low35.5Very low120 Ų120145.4 Ų145.484%0.83982%0.82SS**  -163112.5128.759.60000108.9
431G33.4Very low35.4Very low67 Ų67148.5 Ų148.569%0.69182%0.823SS**  trans-70.3160.2-168.400000116
432S38.3Very low36Very low115 Ų115149.6 Ų149.680%0.80483%0.829SS**  trans-173.294.3143.5-74.30000109.2
433S36.3Very low36.3Very low110 Ų110142 Ų14277%0.76982%0.817SS**  trans52.399.3130.7-390000119.5
434R36.4Very low36.8Very low245 Ų245147.5 Ų147.593%0.92583%0.826SS**  171148.4105.5-93.8175.5164.7171-3.9112.6
435P38.6Very low37.1Very low117 Ų117146.2 Ų146.276%0.7682%0.82SS**  trans-104.3166.5-158.937.6-26.8000115
436D33.7Very low37.3Very low153 Ų153146 Ų14682%0.81882%0.819SS**  trans-42.9144.1175.3-66.8-65000117
437F39.2Very low37.3Very low205 Ų205141.9 Ų141.990%0.89981%0.809SS**  trans-148.9104.8150.3-108.8-85.5000110.3
438N36.8Very low37.9Very low169 Ų169145.6 Ų145.690%0.90482%0.82SS**  trans-161.189.7138.7-118.8-4.7000109.1
439Q41.7Very low38.3Very low179 Ų179144.6 Ų144.684%0.83681%0.814SS**  trans-104.1143.1163.1-86-178.51100109.6
440S38.6Very low39Very low124 Ų124143 Ų14387%0.86781%0.81SS**  trans-48.9140.2173.7-640000113.7
441Y34.5Very low39.3Very low221 Ų221149 Ų14987%0.86781%0.814SS**  trans-82.4126.1164.3-89.1-96.5000110.1
442D43.1Very low39.6Very low166 Ų166149.3 Ų149.389%0.88882%0.817SS**  trans-137.8144.7150.4-104.3-38.1000108.6
443G38.2Very low40Very low59 Ų59149.5 Ų149.561%0.60882%0.816SS**  trans-70.9174-154.200000117.1
444F39.8Very low40.4Very low198 Ų198152.2 Ų152.287%0.86882%0.82SS**  179.9111.6129.7-91.8-65.8000111
445H42.3Very low40.8Very low157 Ų157143.4 Ų143.473%0.72781%0.805SS**  trans43.1139.1137.8-77.6-50.7000126
446N40.9Very low41.1Very low151 Ų151146.1 Ų146.181%0.80781%0.807SS**  trans84.7105.9148.2-63.6-15.8000116.9
447G38.9Very low41.7Very low72 Ų72144.3 Ų144.374%0.74281%0.806SS**  102.2134.186.600000106.8
448T42.3Very low42Very low137 Ų137138.3 Ų138.384%0.8480%0.802SS**  cis-168.4150.132.532.50000107.7
449S42.2Very low42.5Very low109 Ų109140 Ų14076%0.76281%0.805SS**  trans20.1135.2150-52.10000122.3
450V45.5Very low42.6Very low130 Ų130134.6 Ų134.679%0.78880%0.798SS**  165.6129.899.5166.10000110.8
451R44.2Very low42.8Very low245 Ų245139.5 Ų139.593%0.92580%0.799SS**  trans18.1144.3149.4-63174.5164.5-173.4-5.2119.8
452G39.8Very low43.4Very low73 Ų73133.6 Ų133.675%0.75379%0.79SS**  cis171.3176.816.400000109.4
453P46.8Very low43.4Very low120 Ų120132.1 Ų132.178%0.77978%0.782SS**  trans-108.8172.1-164.538.9-30.2000115
454I45.8Very low43.6Very low167 Ų167139.8 Ų139.886%0.85679%0.794SS**  trans145.8131.8145.6-74.9156.7000111.9
455G43.4Very low43.7Very low59 Ų59141 Ų14161%0.60879%0.793SS**  trans157.2103.1148.900000118.9
456H46Very low43.7Very low175 Ų175143.5 Ų143.581%0.8180%0.797SS**  trans62.4106.6135.5-65.6-69.4000120.2
457S45.1Very low43.9Very low114 Ų114147.3 Ų147.380%0.79780%0.8SS**  94.2121.873.767.80000113.3
458G45.7Very low44.3Very low79 Ų79153.2 Ų153.281%0.81481%0.808SS**  trans-172.7103.9171.700000111.9
459E47.5Very low44.7Very low204 Ų204150.6 Ų150.695%0.95381%0.809SS**  trans-60161.8172.2-55.9167.2153.800111.1
460G43.4Very low44.9Very low67 Ų67152.8 Ų152.869%0.69181%0.812SS**  cis174.1-16914.100000110
461Y43.5Very low45.2Very low227 Ų227155 Ų15589%0.8981%0.813SS**  trans96.980.9170.7-70.5-84.2000120.8
462S47.6Very low45.6Very low97 Ų97157.6 Ų157.668%0.67883%0.825SS**  42.6108.5119.262.60000122.7
463D42.1Very low45.9Very low134 Ų134161.9 Ų161.972%0.71783%0.829SS**  trans-13.6137.2135.9-145-10.8000119.8
464Y42Very low45.9Very low221 Ų221164.1 Ų164.187%0.86783%0.831SS**  trans-147.9107.9148.6-96.9-78.7000110.6
465R42.4Very low45.9Very low223 Ų223163.9 Ų163.984%0.84283%0.83SS**  trans-85.5133.6157.7-87.3-179.3168.1163.4-2110.5
466Y42.2Very low46Very low210 Ų210170.1 Ų170.182%0.82484%0.843SS**  trans-150.1106.5148.3-107.5-90.3000107.3
467R45.9Very low46Very low230 Ų230169.8 Ų169.887%0.86885%0.845SS**  70.4116.388.3-99.7-166-179.6-173.82.4115.4
468H46.6Very low46.1Very low197 Ų197173.5 Ų173.591%0.91285%0.848SS**  trans-21.1143.8159-74-88.6000118.3
469G51.3Low46.1Very low82 Ų82180.2 Ų180.285%0.84585%0.85SS**  trans-160.5111.5153.700000110
470N45.5Very low46Very low155 Ų155178.4 Ų178.483%0.82984%0.843SS**  trans-114.1125172.6-149.131.9000106.2
471H53.5Low46.3Very low177 Ų177187.7 Ų187.782%0.81986%0.855SS**  trans-177.7108.3158.2-91.6-17.1000108.3
472Y52.7Low46.5Very low299 Ų299184.1 Ų184.1100%1.17385%0.852SS**  -171.30101.7-94.3-74.6000109.4

Retrieved 472 of 472 residues in 143.2 ms (Link to these results)

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