A0A087WT27_HUMAN Loading...

phosphoacetylglucosamine mutase

AlphaFold DB , UniProt , Accession A0A087WT27, Species HUMAN (Homo sapiens, Human), Gene PGM3, Length 420 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M78.5Confident86.1Confident160 Ų16076.8 Ų76.879%0.78843%0.429SS*.  0157.80-67.6-56.7-77.100109
2L82.7Confident86.8Confident99 Ų9975.4 Ų75.452%0.51843%0.427SS..  trans-53.9145.8170.8-175.164.6000110.3W6L2-W6 HydrophobicContact CD1-CB 3.81Å; L2-W6 HydrophobicContact CD1-CG 4.41Å; L2-W6 HydrophobicContact CD2-CB 3.93Å; L2-W6 HydrophobicContact CG-CB 3.8Å
3A78.6Confident87.4Confident39 Ų3974.3 Ų74.332%0.32242%0.419SS..  trans-63.2138176.100000110.3S5 W6A3-S5 PolarHBondContact O-N 3.47Å; A3-S5 VanDerWaalsContact O-N 3.15Å; A3-W6 WeakPolarHBondContact O-CB 3.41Å; A3-W6 PolarHBondContact O-N 3.04Å
4P76.6Confident88Confident61 Ų6174.9 Ų74.940%0.39644%0.438SS..Hα-helixtrans-56.6-33.6-177.2-28.635.8000114.5W6 E7P4-W6 PolarHBondContact O-N 3.39Å; P4-E7 WeakPolarHBondContact O-CB 3.41Å; P4-E7 PolarHBondContact O-N 3.05Å
5S82.5Confident88.6Confident72 Ų7278.1 Ų78.150%0.50345%0.453SS..Hα-helixtrans-62.9-24.6176.550.30000113.4A3A3-S5 PolarHBondContact O-N 3.47Å; A3-S5 VanDerWaalsContact O-N 3.15Å
6W87.5Confident89.1Confident68 Ų6874.6 Ų74.626%0.25844%0.436SS..Hα-helixtrans-89.8-9.3179.1-74.774.6000113.5L2 A3 P4 E8 H9 A10 E32 V34 G377 T378L2-W6 HydrophobicContact CD1-CB 3.81Å; L2-W6 HydrophobicContact CD1-CG 4.41Å; L2-W6 HydrophobicContact CD2-CB 3.93Å; L2-W6 HydrophobicContact CG-CB 3.8Å; A3-W6 WeakPolarHBondContact O-CB 3.41Å; A3-W6 PolarHBondContact O-N 3.04Å; P4-W6 PolarHBondContact O-N 3.39Å; W6-E8 VanDerWaalsContact C-N 3.3Å; W6-E8 PolarHBondContact O-N 2.81Å; W6-H9 PolarHBondContact O-N 3.12Å; W6-A10 PolarHBondContact O-N 3.1Å; W6-A10 VanDerWaalsContact O-N 3.15Å; W6-E32 HydrophobicContact CH2-CB 4.46Å; W6-E32 HydrophobicContact CH2-CG 4.43Å; W6-E32 HydrophobicContact CZ2-CB 4.23Å; W6-E32 HydrophobicContact CZ2-CG 4.15Å; W6-V34 HydrophobicContact CH2-CG2 4.34Å; W6-G377 PolarHBondContact NE1-O 2.93Å; W6-G377 VanDerWaalsContact NE1-O 3.11Å; W6-T378 HydrophobicContact CH2-CG2 4.28Å; W6-T378 HydrophobicContact CZ2-CG2 3.83Å
7E86.4Confident89.5Confident77 Ų7777.9 Ų77.936%0.3645%0.446SS..Hα-helixtrans-64-37.3176.2-65.4178.1-179.800111.1P4 T11 K273P4-E7 WeakPolarHBondContact O-CB 3.41Å; P4-E7 PolarHBondContact O-N 3.05Å; E7-T11 PolarHBondContact O-N 3.28Å; E7-T11 VanDerWaalsContact O-N 3.1Å; E7-T11 PolarHBondContact O-OG1 3.36Å; E7-K273 IonicContact OE1-NZ 3.82Å; E7-K273 PolarHBondContact OE1-NZ 2.83Å; E7-K273 IonicContact OE2-NZ 3.45Å; E7-K273 PolarHBondContact OE2-NZ 3.15Å; E7-K273 VanDerWaalsContact OE2-NZ 3.13Å
8E91.4Very high89.7Confident121 Ų12183.2 Ų83.257%0.56547%0.466SS*.Hα-helixtrans-66.4-44176.8-171.4-179.8-170.700111.3W6 A10 T11 C12W6-E8 VanDerWaalsContact C-N 3.3Å; W6-E8 PolarHBondContact O-N 2.81Å; E8-A10 PolarHBondContact O-N 2.9Å; E8-T11 WeakPolarHBondContact O-CB 3.5Å; E8-T11 PolarHBondContact O-N 3.44Å; E8-T11 VanDerWaalsContact O-N 3.12Å; E8-C12 PolarHBondContact O-N 3.08Å; E8-C12 PolarHBondContact O-SG 3.46Å; E8-C12 VanDerWaalsContact O-SG 3.36Å
9H94.5Very high90Very high12 Ų1287.5 Ų87.56%0.05648%0.482CS..Hα-helixtrans-60.5-44.7177.7-63.2-42000112.4W6 T11 C12 L13 I28 E32W6-H9 PolarHBondContact O-N 3.12Å; H9-T11 VanDerWaalsContact C-N 3.28Å; H9-T11 PolarHBondContact O-N 3.44Å; H9-C12 PolarHBondContact O-N 2.99Å; H9-L13 PolarHBondContact O-N 3.09Å; H9-I28 HydrophobicContact CB-CD1 4.1Å; H9-I28 HydrophobicContact CB-CG1 4.3Å; H9-I28 HydrophobicContact CB-CG2 4.22Å; H9-E32 IonicContact CD2-OE1 3.03Å; H9-E32 IonicContact CE1-OE1 2.62Å; H9-E32 PolarHBondContact CE1-OE1 3.17Å; H9-E32 VanDerWaalsContact NE2-CD 3.3Å; H9-E32 WeakPolarHBondContact NE2-CG 3.44Å; H9-E32 IonicContact NE2-OE1 3.87Å; H9-E32 PolarHBondContact NE2-OE1 3.13Å
10A94.3Very high90.3Very high56 Ų5685.1 Ų85.146%0.46347%0.469SS..Hα-helixtrans-60.9-39.5175.400000111.6W6 E8 A14W6-A10 PolarHBondContact O-N 3.1Å; W6-A10 VanDerWaalsContact O-N 3.15Å; E8-A10 PolarHBondContact O-N 2.9Å; A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.4Å
11T93.5Very high90.5Very high80 Ų8085.1 Ų85.149%0.49147%0.466SS..Hα-helixtrans-66.8-43.9176.9-58.10000111.6E7 E8 H9 A14 N15E7-T11 PolarHBondContact O-N 3.28Å; E7-T11 VanDerWaalsContact O-N 3.1Å; E7-T11 PolarHBondContact O-OG1 3.36Å; E8-T11 WeakPolarHBondContact O-CB 3.5Å; E8-T11 PolarHBondContact O-N 3.44Å; E8-T11 VanDerWaalsContact O-N 3.12Å; H9-T11 VanDerWaalsContact C-N 3.28Å; H9-T11 PolarHBondContact O-N 3.44Å; T11-A14 PolarHBondContact O-N 2.85Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.36Å; T11-N15 PolarHBondContact O-N 2.94Å; T11-N15 VanDerWaalsContact O-N 3.13Å; T11-N15 PolarHBondContact O-ND2 3.3Å
12C94.8Very high91.2Very high60 Ų6084.6 Ų84.641%0.40546%0.462SS..Hα-helixtrans-60.8-45.7176.6-72.90000111.3E8 H9 N15 A16 V24E8-C12 PolarHBondContact O-N 3.08Å; E8-C12 PolarHBondContact O-SG 3.46Å; E8-C12 VanDerWaalsContact O-SG 3.36Å; H9-C12 PolarHBondContact O-N 2.99Å; C12-N15 PolarHBondContact O-N 3.4Å; C12-A16 PolarHBondContact O-N 3.32Å; C12-A16 VanDerWaalsContact O-N 3.12Å; C12-V24 HydrophobicContact CB-CG1 4.5Å
13L95.2Very high91.8Very high61 Ų6186.5 Ų86.532%0.31946%0.462SS..Hα-helixtrans-65.5-40.9178.9-173.163.4000112.2H9 N15 A16 M21 V24 L25H9-L13 PolarHBondContact O-N 3.09Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.31Å; L13-A16 WeakPolarHBondContact O-CB 3.45Å; L13-A16 PolarHBondContact O-N 2.86Å; L13-M21 HydrophobicContact CD1-CG 4.07Å; L13-V24 HydrophobicContact CD1-CG1 4.25Å; L13-L25 HydrophobicContact CD1-CD2 3.77Å; L13-L25 HydrophobicContact CD1-CG 3.87Å; L13-L25 HydrophobicContact CD2-CD2 3.92Å
14A95.7Very high92.7Very high83 Ų8385.8 Ų85.869%0.68645%0.454SS*.Hα-helixtrans-67.2-24.8178.500000113.8A10 T11A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.4Å; T11-A14 PolarHBondContact O-N 2.85Å
15N96.3Very high93.5Very high123 Ų12385.3 Ų85.366%0.65845%0.448SS*.THydrogen-bonded Turntrans-98.10.2177.6-68.8-56.8000113.3T11 C12 L13T11-N15 WeakPolarHBondContact CG2-ND2 3.36Å; T11-N15 PolarHBondContact O-N 2.94Å; T11-N15 VanDerWaalsContact O-N 3.13Å; T11-N15 PolarHBondContact O-ND2 3.3Å; C12-N15 PolarHBondContact O-N 3.4Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.31Å
16A96.8Very high94.1Very high22 Ų2285.5 Ų85.518%0.18244%0.442CS..  trans-70.7132.7178.400000110.2C12 L13 V24C12-A16 PolarHBondContact O-N 3.32Å; C12-A16 VanDerWaalsContact O-N 3.12Å; L13-A16 WeakPolarHBondContact O-CB 3.45Å; L13-A16 PolarHBondContact O-N 2.86Å; A16-V24 HydrophobicContact CB-CB 4.42Å; A16-V24 HydrophobicContact CB-CG2 3.97Å
17E96.3Very high94.4Very high130 Ų13086.1 Ų86.161%0.60745%0.45SS*.  trans-62.8149.4165.5-65.5-65.3160.400109.5Q19 D20 M21E17-Q19 HydrophobicContact CB-CG 4.22Å; E17-Q19 PolarHBondContact O-N 2.86Å; E17-Q19 VanDerWaalsContact O-N 3.13Å; E17-D20 PolarHBondContact O-N 3.3Å; E17-M21 PolarHBondContact O-N 3.37Å; E17-M21 VanDerWaalsContact O-N 3.14Å
18E93.4Very high94.8Very high173 Ų17383.5 Ų83.581%0.80844%0.439SS*.G310 helixtrans-54.7-39.6-174.4-171.8176.3173.600112.5D20 M21E18-D20 VanDerWaalsContact C-N 3.28Å; E18-D20 PolarHBondContact O-N 3.42Å; E18-M21 WeakPolarHBondContact O-CB 3.31Å; E18-M21 PolarHBondContact O-N 2.72Å
19Q95.6Very high94.8Very high166 Ų16679 Ų7978%0.77642%0.42SS*.G310 helixtrans-67.1-24.1177.767.8-168.2400114.2E17E17-Q19 HydrophobicContact CB-CG 4.22Å; E17-Q19 PolarHBondContact O-N 2.86Å; E17-Q19 VanDerWaalsContact O-N 3.13Å
20D95.6Very high94.6Very high39 Ų3985.3 Ų85.321%0.20945%0.45CS..G310 helixtrans-99.6-8.8-176.7-69.6-62000112.3E17 E18 Q22 R23 V24E17-D20 PolarHBondContact O-N 3.3Å; E18-D20 VanDerWaalsContact C-N 3.28Å; E18-D20 PolarHBondContact O-N 3.42Å; D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 2.94Å; D20-R23 VanDerWaalsContact CG-NH2 3.32Å; D20-R23 WeakPolarHBondContact O-CB 3.49Å; D20-R23 PolarHBondContact O-N 3.07Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.17Å; D20-R23 IonicContact OD1-NH1 3.1Å; D20-R23 PolarHBondContact OD1-NH1 3.03Å; D20-R23 VanDerWaalsContact OD1-NH1 3.1Å; D20-R23 IonicContact OD1-NH2 2.74Å; D20-R23 PolarHBondContact OD1-NH2 2.76Å; D20-V24 WeakPolarHBondContact O-CG2 3.1Å; D20-V24 PolarHBondContact O-N 2.99Å
21M93.8Very high94.4Very high85 Ų8589 Ų8942%0.41946%0.456SS..Hα-helixtrans-55.3-44.5-173.9-172.9177.4-6600113.1L13 E17 E18 R23 V24 L25L13-M21 HydrophobicContact CD1-CG 4.07Å; E17-M21 PolarHBondContact O-N 3.37Å; E17-M21 VanDerWaalsContact O-N 3.14Å; E18-M21 WeakPolarHBondContact O-CB 3.31Å; E18-M21 PolarHBondContact O-N 2.72Å; M21-R23 PolarHBondContact O-N 3.46Å; M21-V24 PolarHBondContact O-N 3.31Å; M21-L25 HydrophobicContact CG-CD1 4.31Å; M21-L25 WeakPolarHBondContact O-CG 3.48Å; M21-L25 PolarHBondContact O-N 2.99Å
22Q93.4Very high94.2Very high149 Ų14987.1 Ų87.170%0.69644%0.442SS*.Hα-helixtrans-63.4-41.4179-174.7179.61.800111.9D20 L25 I26D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 2.94Å; Q22-L25 PolarHBondContact O-N 3.16Å; Q22-I26 HydrophobicContact CG-CD1 4.16Å; Q22-I26 WeakPolarHBondContact O-CG1 3.48Å; Q22-I26 PolarHBondContact O-N 3.01Å; Q22-I26 VanDerWaalsContact O-N 3.09Å
23R96.2Very high93.9Very high139 Ų13987.8 Ų87.853%0.52545%0.451SS..Hα-helixtrans-63.3-47.2177.8-175.3-18069.1-138.2-9.3110.3D20 M21 L25 I26 D27D20-R23 VanDerWaalsContact CG-NH2 3.32Å; D20-R23 WeakPolarHBondContact O-CB 3.49Å; D20-R23 PolarHBondContact O-N 3.07Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.17Å; D20-R23 IonicContact OD1-NH1 3.1Å; D20-R23 PolarHBondContact OD1-NH1 3.03Å; D20-R23 VanDerWaalsContact OD1-NH1 3.1Å; D20-R23 IonicContact OD1-NH2 2.74Å; D20-R23 PolarHBondContact OD1-NH2 2.76Å; M21-R23 PolarHBondContact O-N 3.46Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.87Å; R23-I26 PolarHBondContact O-N 2.8Å; R23-I26 VanDerWaalsContact O-N 3.14Å; R23-D27 PolarHBondContact O-N 3.23Å
24V96.3Very high93.5Very high25 Ų2587.1 Ų87.115%0.15245%0.45CS..Hα-helixtrans-59.1-41178.9174.20000111.5C12 L13 A16 D20 M21 D27 I28C12-V24 HydrophobicContact CB-CG1 4.5Å; L13-V24 HydrophobicContact CD1-CG1 4.25Å; A16-V24 HydrophobicContact CB-CB 4.42Å; A16-V24 HydrophobicContact CB-CG2 3.97Å; D20-V24 WeakPolarHBondContact O-CG2 3.1Å; D20-V24 PolarHBondContact O-N 2.99Å; M21-V24 PolarHBondContact O-N 3.31Å; V24-D27 PolarHBondContact O-N 3.45Å; V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.45Å; V24-I28 WeakPolarHBondContact O-CD1 3.32Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.3Å; V24-I28 PolarHBondContact O-N 3.35Å
25L94.2Very high93Very high50 Ų5087.2 Ų87.226%0.26244%0.438SS..Hα-helixtrans-64.5-40.4176.2-73.7169.3000112.9L13 M21 Q22 R23 S29 L66L13-L25 HydrophobicContact CD1-CD2 3.77Å; L13-L25 HydrophobicContact CD1-CG 3.87Å; L13-L25 HydrophobicContact CD2-CD2 3.92Å; M21-L25 HydrophobicContact CG-CD1 4.31Å; M21-L25 WeakPolarHBondContact O-CG 3.48Å; M21-L25 PolarHBondContact O-N 2.99Å; Q22-L25 PolarHBondContact O-N 3.16Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.87Å; L25-S29 WeakPolarHBondContact O-CB 3.31Å; L25-S29 PolarHBondContact O-N 3.05Å; L25-S29 PolarHBondContact O-OG 3.45Å; L25-L66 HydrophobicContact CD1-CD2 4.26Å
26I94.1Very high92.5Very high77 Ų7787.5 Ų87.540%0.39544%0.439SS..Hα-helixtrans-64.1-48.1175.1-68.1166.5000109.9Q22 R23 I28 S29 E30Q22-I26 HydrophobicContact CG-CD1 4.16Å; Q22-I26 WeakPolarHBondContact O-CG1 3.48Å; Q22-I26 PolarHBondContact O-N 3.01Å; Q22-I26 VanDerWaalsContact O-N 3.09Å; R23-I26 PolarHBondContact O-N 2.8Å; R23-I26 VanDerWaalsContact O-N 3.14Å; I26-I28 VanDerWaalsContact C-N 3.33Å; I26-I28 PolarHBondContact O-N 3.26Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.49Å; I26-E30 HydrophobicContact CG2-CG 4.28Å; I26-E30 WeakPolarHBondContact O-CG 3.42Å; I26-E30 PolarHBondContact O-N 2.87Å
27D94.9Very high92Very high80 Ų8094.7 Ų94.743%0.42847%0.469SS..Hα-helixtrans-59.2-43.1-179.7-65.6-16000111.6R23 V24 K31R23-D27 PolarHBondContact O-N 3.23Å; V24-D27 PolarHBondContact O-N 3.45Å; D27-K31 WeakPolarHBondContact O-CB 3.48Å; D27-K31 PolarHBondContact O-N 3.35Å
28I93.7Very high91.5Very high22 Ų2292.4 Ų92.411%0.11346%0.459CS..Hα-helixtrans-63.1-44.8174.9-68.3165.2000110.4H9 V24 I26 E30 K31 E32H9-I28 HydrophobicContact CB-CD1 4.1Å; H9-I28 HydrophobicContact CB-CG1 4.3Å; H9-I28 HydrophobicContact CB-CG2 4.22Å; V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.45Å; V24-I28 WeakPolarHBondContact O-CD1 3.32Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.3Å; V24-I28 PolarHBondContact O-N 3.35Å; I26-I28 VanDerWaalsContact C-N 3.33Å; I26-I28 PolarHBondContact O-N 3.26Å; I28-E30 PolarHBondContact O-N 3.01Å; I28-K31 PolarHBondContact O-N 3.45Å; I28-E32 PolarHBondContact O-N 3.04Å
29S91.4Very high91.2Very high26 Ų2690.7 Ų90.718%0.18246%0.455CS..Hα-helixtrans-63.9-41.2-178.6-59.10000112.1L25 I26 A33 V34L25-S29 WeakPolarHBondContact O-CB 3.31Å; L25-S29 PolarHBondContact O-N 3.05Å; L25-S29 PolarHBondContact O-OG 3.45Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.49Å; S29-A33 CarbonylContact O-C 3.58Å; S29-A33 WeakPolarHBondContact O-CA 3.39Å; S29-A33 PolarHBondContact O-N 2.99Å; S29-V34 PolarHBondContact O-N 3.32Å
30E91.7Very high91Very high146 Ų14685.4 Ų85.468%0.68244%0.44SS*.Hα-helixtrans-68.6-45.6176-70.6-178173.900111.5I26 I28 E32 A33I26-E30 HydrophobicContact CG2-CG 4.28Å; I26-E30 WeakPolarHBondContact O-CG 3.42Å; I26-E30 PolarHBondContact O-N 2.87Å; I28-E30 PolarHBondContact O-N 3.01Å; E30-E32 PolarHBondContact O-N 3.35Å; E30-A33 PolarHBondContact O-N 2.74Å; E30-A33 VanDerWaalsContact O-N 3.16Å
31K89.3Confident90.9Very high132 Ų13288 Ų8857%0.57445%0.449SS*.Hα-helixtrans-61-42.2-179.5178.6171.6165.8-170.30112.4D27 I28 A33D27-K31 WeakPolarHBondContact O-CB 3.48Å; D27-K31 PolarHBondContact O-N 3.35Å; I28-K31 PolarHBondContact O-N 3.45Å; K31-A33 VanDerWaalsContact C-N 3.33Å
32E88.8Confident91Very high42 Ų4286.3 Ų86.320%0.19644%0.444CS..THydrogen-bonded Turntrans-90.73179.4-62.4-58.2140.200113W6 H9 I28 E30 V34 T378W6-E32 HydrophobicContact CH2-CB 4.46Å; W6-E32 HydrophobicContact CH2-CG 4.43Å; W6-E32 HydrophobicContact CZ2-CB 4.23Å; W6-E32 HydrophobicContact CZ2-CG 4.15Å; H9-E32 IonicContact CD2-OE1 3.03Å; H9-E32 IonicContact CE1-OE1 2.62Å; H9-E32 PolarHBondContact CE1-OE1 3.17Å; H9-E32 VanDerWaalsContact NE2-CD 3.3Å; H9-E32 WeakPolarHBondContact NE2-CG 3.44Å; H9-E32 IonicContact NE2-OE1 3.87Å; H9-E32 PolarHBondContact NE2-OE1 3.13Å; I28-E32 PolarHBondContact O-N 3.04Å; E30-E32 PolarHBondContact O-N 3.35Å; E32-V34 VanDerWaalsContact C-N 3.26Å; E32-V34 HydrophobicContact CB-CG2 3.94Å; E32-V34 PolarHBondContact O-N 3.1Å; E32-T378 HydrophobicContact CB-CG2 3.97Å; E32-T378 WeakPolarHBondContact O-CG2 3.18Å
33A88.9Confident91.1Very high73 Ų7380.4 Ų80.460%0.60342%0.418SS*.THydrogen-bonded Turntrans49.246.4-175.900000112.5S29 E30 K31 N35S29-A33 CarbonylContact O-C 3.58Å; S29-A33 WeakPolarHBondContact O-CA 3.39Å; S29-A33 PolarHBondContact O-N 2.99Å; E30-A33 PolarHBondContact O-N 2.74Å; E30-A33 VanDerWaalsContact O-N 3.16Å; K31-A33 VanDerWaalsContact C-N 3.33Å; A33-N35 PolarHBondContact O-N 3.14Å
34V86.9Confident91.2Very high48 Ų4874.4 Ų74.429%0.29140%0.396SS..  trans-67.9127.3179.6-178.60000109.7W6 S29 E32 L36 T378W6-V34 HydrophobicContact CH2-CG2 4.34Å; S29-V34 PolarHBondContact O-N 3.32Å; E32-V34 VanDerWaalsContact C-N 3.26Å; E32-V34 HydrophobicContact CB-CG2 3.94Å; E32-V34 PolarHBondContact O-N 3.1Å; V34-L36 HydrophobicContact CG1-CD2 4.2Å; V34-L36 PolarHBondContact O-N 3.02Å; V34-L36 VanDerWaalsContact O-N 3.16Å; V34-T378 HydrophobicContact CG2-CG2 3.74Å
35N84.7Confident91.3Very high84 Ų8474.2 Ų74.245%0.44940%0.399SS..  trans-78.398.6171.8-178.47.5000110.3A33 Q37 Q38A33-N35 PolarHBondContact O-N 3.14Å; N35-Q37 PolarHBondContact O-N 3.36Å; N35-Q37 VanDerWaalsContact O-N 3.15Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.48Å; N35-Q37 PolarHBondContact OD1-N 3.34Å; N35-Q38 HydrophobicContact CB-CB 4.22Å; N35-Q38 VanDerWaalsContact O-CB 3.32Å; N35-Q38 WeakPolarHBondContact O-CB 3.32Å; N35-Q38 PolarHBondContact O-N 2.88Å; N35-Q38 VanDerWaalsContact O-N 3.07Å
36L86.3Confident91.5Very high129 Ų12974.5 Ų74.568%0.67540%0.396SS*.THydrogen-bonded Turntrans-67.1-10.9179.5-61178.5000114.3V34 Q38V34-L36 HydrophobicContact CG1-CD2 4.2Å; V34-L36 PolarHBondContact O-N 3.02Å; V34-L36 VanDerWaalsContact O-N 3.16Å; L36-Q38 VanDerWaalsContact C-N 3.34Å
37Q86.3Confident91.6Very high173 Ų17372.1 Ų72.181%0.80838%0.384SS*.THydrogen-bonded Turntrans-86.5-8.6174.3-58.3-61.1-3600112.7N35N35-Q37 PolarHBondContact O-N 3.36Å; N35-Q37 VanDerWaalsContact O-N 3.15Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.48Å; N35-Q37 PolarHBondContact OD1-N 3.34Å
38Q85.7Confident91.7Very high83 Ų8370.8 Ų70.839%0.38838%0.379SS..SBendtrans-81.3135.4179.3-176.6170.27.400110.7N35 L36 A40 E379N35-Q38 HydrophobicContact CB-CB 4.22Å; N35-Q38 VanDerWaalsContact O-CB 3.32Å; N35-Q38 WeakPolarHBondContact O-CB 3.32Å; N35-Q38 PolarHBondContact O-N 2.88Å; N35-Q38 VanDerWaalsContact O-N 3.07Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-A40 PolarHBondContact O-N 3Å; Q38-E379 VanDerWaalsContact CD-OE1 3.27Å; Q38-E379 PolarHBondContact NE2-OE1 3.14Å; Q38-E379 PolarHBondContact OE1-OE1 2.88Å
39D88.6Confident91.9Very high137 Ų13775.7 Ų75.773%0.73340%0.396SS*.PPolyproline II helixtrans-62121.5174-70.3-29.8000110.6
40A91.1Very high92.1Very high55 Ų5581 Ų8146%0.45543%0.43SS..PPolyproline II helixtrans-91.5137.6172.300000110.3Q38 Q69Q38-A40 PolarHBondContact O-N 3Å; A40-Q69 PolarHBondContact O-N 3.01Å
41F92.3Very high92.4Very high92 Ų9277 Ų7740%0.40442%0.419SS..EExtended strand (participates in β ladder)trans-131.2124.9176.8-171.1-85.8000111.4V43 Q69 H71F41-V43 HydrophobicContact CD1-CG2 4.3Å; F41-V43 HydrophobicContact CE1-CG2 3.75Å; F41-Q69 CarbonylContact C-O 3.55Å; F41-Q69 VanDerWaalsContact CA-O 3.31Å; F41-Q69 WeakPolarHBondContact CA-O 3.35Å; F41-Q69 HydrophobicContact CD2-CB 3.7Å; F41-Q69 HydrophobicContact CE2-CB 4.31Å; F41-H71 HydrophobicContact CE1-CB 4.31Å; F41-H71 HydrophobicContact CZ-CB 3.71Å
42V96Very high92.8Very high51 Ų5171.4 Ų71.431%0.30940%0.396SS..EExtended strand (participates in β ladder)trans-118.9130.9-176.9-177.80000111.3I44 V63 Q69 F70 H71V42-I44 HydrophobicContact CG1-CG1 4.04Å; V42-V63 HydrophobicContact CB-CG1 4.37Å; V42-V63 HydrophobicContact CB-CG2 4.02Å; V42-V63 HydrophobicContact CG1-CG2 4.19Å; V42-V63 HydrophobicContact CG2-CG1 4.16Å; V42-V63 HydrophobicContact CG2-CG2 3.83Å; V42-Q69 PolarHBondContact N-O 2.74Å; V42-F70 HydrophobicContact CB-CB 4.46Å; V42-F70 CarbonylContact O-C 3.48Å; V42-F70 WeakPolarHBondContact O-CA 3.16Å; V42-F70 WeakPolarHBondContact O-CB 3.47Å; V42-H71 PolarHBondContact O-N 2.74Å
43V96.3Very high93.2Very high25 Ų2576.1 Ų76.115%0.15242%0.418CS..EExtended strand (participates in β ladder)trans-98.2133.7171.8-179.80000109.5F41 Y73 L81 M84 V85F41-V43 HydrophobicContact CD1-CG2 4.3Å; F41-V43 HydrophobicContact CE1-CG2 3.75Å; V43-Y73 HydrophobicContact CG1-CD2 3.41Å; V43-Y73 VanDerWaalsContact CG1-CD2 3.41Å; V43-Y73 HydrophobicContact CG1-CE2 3.38Å; V43-Y73 HydrophobicContact CG2-CE2 4.46Å; V43-L81 HydrophobicContact CB-CD1 4.41Å; V43-L81 HydrophobicContact CG1-CD1 3.62Å; V43-M84 HydrophobicContact CG1-CB 4.2Å; V43-V85 HydrophobicContact CB-CG2 4.07Å; V43-V85 HydrophobicContact CG2-CG2 4.41Å
44I97.9Very high93.7Very high13 Ų1380.3 Ų80.37%0.06742%0.422CS..EExtended strand (participates in β ladder)trans-123.2140-177.3-53.1172.1000109.1V42 S56 V59 I60 F70 H71 D72 Y73V42-I44 HydrophobicContact CG1-CG1 4.04Å; I44-S56 WeakPolarHBondContact CG2-OG 3.4Å; I44-V59 HydrophobicContact CD1-CB 4.46Å; I44-V59 HydrophobicContact CD1-CG1 3.85Å; I44-V59 HydrophobicContact CG1-CG1 4.25Å; I44-I60 HydrophobicContact CD1-CB 4.5Å; I44-I60 HydrophobicContact CD1-CD1 4.37Å; I44-I60 HydrophobicContact CD1-CG1 3.42Å; I44-I60 VanDerWaalsContact CD1-CG1 3.42Å; I44-F70 HydrophobicContact CD1-CB 4.3Å; I44-F70 HydrophobicContact CD1-CD2 4.36Å; I44-H71 PolarHBondContact N-O 3.03Å; I44-D72 HydrophobicContact CB-CB 4.49Å; I44-Y73 PolarHBondContact O-N 3.07Å
45G97.6Very high94.2Very high20 Ų2083 Ų8321%0.20643%0.434CS..EExtended strand (participates in β ladder)trans-155156.8173.200000109.3G74G45-G74 CarbonylContact C-O 3.55Å; G45-G74 WeakPolarHBondContact CA-O 3.41Å
46R98.2Very high94.8Very high56 Ų5679.4 Ų79.421%0.21142%0.416CS..EExtended strand (participates in β ladder)trans-144.9156.5-172.967.8-179.3174.5-91.24.2113.4S52 S56 D72 G74 L75 L76R46-S52 WeakPolarHBondContact CD-O 3.4Å; R46-S56 PolarHBondContact NH1-OG 3.36Å; R46-D72 IonicContact NH1-OD1 2.68Å; R46-D72 PolarHBondContact NH1-OD1 3.01Å; R46-D72 IonicContact NH1-OD2 3.94Å; R46-D72 PolarHBondContact NH1-OD2 2.72Å; R46-G74 PolarHBondContact N-O 2.97Å; R46-L75 HydrophobicContact CG-CD2 4.29Å; R46-L75 VanDerWaalsContact O-CA 3.32Å; R46-L75 WeakPolarHBondContact O-CA 3.37Å; R46-L76 PolarHBondContact O-N 3.42Å
47D97.9Very high95.4Very high27 Ų2777.8 Ų77.814%0.14441%0.405CS..  trans-83.8-169.9172.2771.2000112.2R49 S52 L75 I135D47-R49 WeakPolarHBondContact OD1-CB 3.5Å; D47-R49 WeakPolarHBondContact OD1-CG 3.24Å; D47-R49 PolarHBondContact OD1-N 2.94Å; D47-R49 WeakPolarHBondContact OD2-CD 3.46Å; D47-R49 WeakPolarHBondContact OD2-CG 3.18Å; D47-R49 IonicContact OD2-NE 3.76Å; D47-R49 PolarHBondContact OD2-NE 2.85Å; D47-S52 PolarHBondContact OD1-OG 3.06Å; D47-L75 VanDerWaalsContact O-CD2 3.28Å; D47-L75 WeakPolarHBondContact O-CD2 3.3Å; D47-I135 HydrophobicContact CB-CG2 4.34Å
48T97.3Very high96Very high52 Ų5272.6 Ų72.632%0.31939%0.388SS..SBendtrans-88.39.9-177.754.10000115L75 I135 L138T48-L75 HydrophobicContact CG2-CD2 4.35Å; T48-I135 HydrophobicContact CG2-CB 4.05Å; T48-I135 HydrophobicContact CG2-CD1 3.92Å; T48-L138 HydrophobicContact CG2-CD1 3.99Å
49R97.3Very high96.5Very high126 Ų12672.2 Ų72.248%0.47539%0.391SS..  trans-64.8144.6179.2-66164.1-176.7-89.3-0.7110.8D47 S51 S52 L164D47-R49 WeakPolarHBondContact OD1-CB 3.5Å; D47-R49 WeakPolarHBondContact OD1-CG 3.24Å; D47-R49 PolarHBondContact OD1-N 2.94Å; D47-R49 WeakPolarHBondContact OD2-CD 3.46Å; D47-R49 WeakPolarHBondContact OD2-CG 3.18Å; D47-R49 IonicContact OD2-NE 3.76Å; D47-R49 PolarHBondContact OD2-NE 2.85Å; R49-S51 PolarHBondContact O-N 3.06Å; R49-S51 VanDerWaalsContact O-N 3.11Å; R49-S52 WeakPolarHBondContact CB-OG 3.37Å; R49-S52 VanDerWaalsContact O-CB 3.23Å; R49-S52 WeakPolarHBondContact O-CB 3.49Å; R49-S52 PolarHBondContact O-N 3.28Å; R49-S52 PolarHBondContact O-OG 3.16Å; R49-L164 HydrophobicContact CG-CD2 3.8Å
50P96Very high97Very high138 Ų13866.3 Ų66.390%0.89636%0.359SS*.THydrogen-bonded Turntrans-58.4-28.9179.2-26.734.8000114.6
51S97.6Very high97.3Very high62 Ų6267.4 Ų67.443%0.43436%0.358SS..THydrogen-bonded Turntrans-80.6-14.4178540000113.9R49 E53 K54 L55R49-S51 PolarHBondContact O-N 3.06Å; R49-S51 VanDerWaalsContact O-N 3.11Å; S51-E53 PolarHBondContact O-N 3.19Å; S51-K54 PolarHBondContact O-N 3.46Å; S51-L55 WeakPolarHBondContact O-CG 3.4Å; S51-L55 PolarHBondContact O-N 2.98Å
52S97.9Very high97.4Very high14 Ų1464.9 Ų64.910%0.09836%0.357CS..Hα-helixtrans-65.1-37.1-167.1-74.90000113.2R46 D47 R49 S56R46-S52 WeakPolarHBondContact CD-O 3.4Å; D47-S52 PolarHBondContact OD1-OG 3.06Å; R49-S52 WeakPolarHBondContact CB-OG 3.37Å; R49-S52 VanDerWaalsContact O-CB 3.23Å; R49-S52 WeakPolarHBondContact O-CB 3.49Å; R49-S52 PolarHBondContact O-N 3.28Å; R49-S52 PolarHBondContact O-OG 3.16Å; S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.24Å
53E97.1Very high97.4Very high140 Ų14063.3 Ų63.365%0.65435%0.348SS*.Hα-helixtrans-62.9-47.9176.5-176.1172.2-160.900111.7S51 L55 S56 Q57S51-E53 PolarHBondContact O-N 3.19Å; E53-L55 PolarHBondContact O-N 3.39Å; E53-S56 WeakPolarHBondContact O-CB 3.49Å; E53-S56 PolarHBondContact O-N 3.25Å; E53-Q57 PolarHBondContact O-N 3.16Å
54K98.3Very high97.4Very high161 Ų16165.9 Ų65.970%0.736%0.363SS*.Hα-helixtrans-63.1-44.1178.4-176.1179.9177.2-177.10111.9S51 Q57 S58S51-K54 PolarHBondContact O-N 3.46Å; K54-Q57 WeakPolarHBondContact O-CB 3.39Å; K54-Q57 PolarHBondContact O-N 3.49Å; K54-S58 PolarHBondContact O-N 2.85Å; K54-S58 PolarHBondContact O-OG 3.07Å
55L98.3Very high97.2Very high104 Ų10471.1 Ų71.155%0.54540%0.396SS..Hα-helixtrans-67.9-38179.9-68.1174.1000111.9S51 E53 Q57 S58 V59S51-L55 WeakPolarHBondContact O-CG 3.4Å; S51-L55 PolarHBondContact O-N 2.98Å; E53-L55 PolarHBondContact O-N 3.39Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.43Å; L55-S58 PolarHBondContact O-N 3.07Å; L55-V59 WeakPolarHBondContact O-CG2 3.2Å; L55-V59 PolarHBondContact O-N 3.32Å
56S97.8Very high96.9Very high9 Ų976.1 Ų76.16%0.06342%0.417CS..Hα-helixtrans-58.7-42172.6-172.20000111.2I44 R46 S52 E53 V59 I60I44-S56 WeakPolarHBondContact CG2-OG 3.4Å; R46-S56 PolarHBondContact NH1-OG 3.36Å; S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.24Å; E53-S56 WeakPolarHBondContact O-CB 3.49Å; E53-S56 PolarHBondContact O-N 3.25Å; S56-V59 PolarHBondContact O-N 3.32Å; S56-I60 WeakPolarHBondContact O-CG1 3.35Å; S56-I60 PolarHBondContact O-N 3.43Å
57Q98.3Very high96.6Very high96 Ų9676.6 Ų76.645%0.44944%0.44SS..Hα-helixtrans-64-42.1175.1-17258.952.200111.9E53 K54 L55 V59 I60 D61E53-Q57 PolarHBondContact O-N 3.16Å; K54-Q57 WeakPolarHBondContact O-CB 3.39Å; K54-Q57 PolarHBondContact O-N 3.49Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.43Å; Q57-V59 VanDerWaalsContact C-N 3.27Å; Q57-V59 PolarHBondContact O-N 3.06Å; Q57-I60 WeakPolarHBondContact O-CA 3.43Å; Q57-I60 WeakPolarHBondContact O-CB 3.41Å; Q57-I60 PolarHBondContact O-N 3.06Å; Q57-I60 VanDerWaalsContact O-N 3.07Å; Q57-D61 PolarHBondContact NE2-OD1 2.81Å; Q57-D61 PolarHBondContact O-N 3.27Å
58S98.1Very high96.5Very high63 Ų6376 Ų7644%0.44144%0.439SS..Hα-helixtrans-61.4-34.4176.3-58.60000113.2K54 L55 G62K54-S58 PolarHBondContact O-N 2.85Å; K54-S58 PolarHBondContact O-OG 3.07Å; L55-S58 PolarHBondContact O-N 3.07Å; S58-G62 PolarHBondContact O-N 3.07Å; S58-G62 VanDerWaalsContact O-N 3.16Å
59V97.1Very high96.4Very high75 Ų7578.5 Ų78.546%0.45545%0.448SS..Hα-helixtrans-66.2-45.1171.9175.20000110.7I44 L55 S56 Q57 D61 G62 V63I44-V59 HydrophobicContact CD1-CB 4.46Å; I44-V59 HydrophobicContact CD1-CG1 3.85Å; I44-V59 HydrophobicContact CG1-CG1 4.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.2Å; L55-V59 PolarHBondContact O-N 3.32Å; S56-V59 PolarHBondContact O-N 3.32Å; Q57-V59 VanDerWaalsContact C-N 3.27Å; Q57-V59 PolarHBondContact O-N 3.06Å; V59-D61 VanDerWaalsContact C-N 3.3Å; V59-D61 PolarHBondContact O-N 3.3Å; V59-G62 PolarHBondContact O-N 3.45Å; V59-V63 HydrophobicContact CG1-CG2 4.48Å; V59-V63 WeakPolarHBondContact O-CG2 3.22Å; V59-V63 PolarHBondContact O-N 2.63Å
60I98.1Very high96.4Very high13 Ų1376.3 Ų76.37%0.06744%0.442CS..Hα-helixtrans-57.8-44.5176.3-69.9167.4000111I44 S56 Q57 G62 V63 T64 F70 D72I44-I60 HydrophobicContact CD1-CB 4.5Å; I44-I60 HydrophobicContact CD1-CD1 4.37Å; I44-I60 HydrophobicContact CD1-CG1 3.42Å; I44-I60 VanDerWaalsContact CD1-CG1 3.42Å; S56-I60 WeakPolarHBondContact O-CG1 3.35Å; S56-I60 PolarHBondContact O-N 3.43Å; Q57-I60 WeakPolarHBondContact O-CA 3.43Å; Q57-I60 WeakPolarHBondContact O-CB 3.41Å; Q57-I60 PolarHBondContact O-N 3.06Å; Q57-I60 VanDerWaalsContact O-N 3.07Å; I60-G62 VanDerWaalsContact C-N 3.34Å; I60-G62 PolarHBondContact O-N 2.92Å; I60-V63 PolarHBondContact O-N 3Å; I60-T64 VanDerWaalsContact O-CB 3.3Å; I60-T64 WeakPolarHBondContact O-CB 3.44Å; I60-T64 PolarHBondContact O-N 3.14Å; I60-T64 PolarHBondContact O-OG1 2.87Å; I60-F70 HydrophobicContact CB-CE2 4.49Å; I60-F70 HydrophobicContact CB-CZ 4.46Å; I60-F70 HydrophobicContact CD1-CD2 4.4Å; I60-F70 HydrophobicContact CD1-CE2 3.94Å; I60-F70 HydrophobicContact CG1-CD2 4.01Å; I60-F70 HydrophobicContact CG1-CE2 3.89Å; I60-F70 HydrophobicContact CG1-CZ 4.35Å; I60-F70 HydrophobicContact CG2-CD1 4.26Å; I60-F70 HydrophobicContact CG2-CD2 4.43Å; I60-F70 HydrophobicContact CG2-CE1 3.63Å; I60-F70 HydrophobicContact CG2-CE2 3.82Å; I60-F70 HydrophobicContact CG2-CZ 3.38Å; I60-D72 HydrophobicContact CD1-CB 4.31Å
61D97.8Very high96.5Very high79 Ų7973.3 Ų73.342%0.42242%0.415SS..Hα-helixtrans-60.4-45.3179.2-61.2-21.1000110.6Q57 V59 T64 V65Q57-D61 PolarHBondContact NE2-OD1 2.81Å; Q57-D61 PolarHBondContact O-N 3.27Å; V59-D61 VanDerWaalsContact C-N 3.3Å; V59-D61 PolarHBondContact O-N 3.3Å; D61-T64 PolarHBondContact O-N 2.94Å; D61-V65 WeakPolarHBondContact O-CB 3.27Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.12Å; D61-V65 PolarHBondContact O-N 3.1Å
62G95.2Very high96.5Very high38 Ų3873 Ų7339%0.39241%0.409SS..Hα-helixtrans-61.5-43.7176.300000113.5S58 V59 I60 L66S58-G62 PolarHBondContact O-N 3.07Å; S58-G62 VanDerWaalsContact O-N 3.16Å; V59-G62 PolarHBondContact O-N 3.45Å; I60-G62 VanDerWaalsContact C-N 3.34Å; I60-G62 PolarHBondContact O-N 2.92Å; G62-L66 WeakPolarHBondContact O-CG 3.39Å; G62-L66 PolarHBondContact O-N 3.35Å
63V96Very high96.4Very high19 Ų1973.9 Ų73.912%0.11541%0.41CS..Hα-helixtrans-64.3-43.7176.1176.20000111V42 V59 I60 L66 G67 G68 F70V42-V63 HydrophobicContact CB-CG1 4.37Å; V42-V63 HydrophobicContact CB-CG2 4.02Å; V42-V63 HydrophobicContact CG1-CG2 4.19Å; V42-V63 HydrophobicContact CG2-CG1 4.16Å; V42-V63 HydrophobicContact CG2-CG2 3.83Å; V59-V63 HydrophobicContact CG1-CG2 4.48Å; V59-V63 WeakPolarHBondContact O-CG2 3.22Å; V59-V63 PolarHBondContact O-N 2.63Å; I60-V63 PolarHBondContact O-N 3Å; V63-L66 PolarHBondContact O-N 2.88Å; V63-G67 PolarHBondContact O-N 3.09Å; V63-G68 PolarHBondContact O-N 2.94Å; V63-F70 HydrophobicContact CG1-CB 4.17Å; V63-F70 HydrophobicContact CG1-CD1 4.42Å
64T96Very high96.5Very high78 Ų7867.7 Ų67.748%0.47939%0.385SS..Hα-helixtrans-65.3-42.9-177.5-57.20000111.6I60 D61 L66 G67I60-T64 VanDerWaalsContact O-CB 3.3Å; I60-T64 WeakPolarHBondContact O-CB 3.44Å; I60-T64 PolarHBondContact O-N 3.14Å; I60-T64 PolarHBondContact O-OG1 2.87Å; D61-T64 PolarHBondContact O-N 2.94Å; T64-L66 PolarHBondContact O-N 2.81Å; T64-G67 PolarHBondContact O-N 2.54Å
65V93.9Very high96.5Very high123 Ų12363.2 Ų63.275%0.74537%0.368SS*.Hα-helixtrans-62.3-32.3178.51660000112D61 G67D61-V65 WeakPolarHBondContact O-CB 3.27Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.12Å; D61-V65 PolarHBondContact O-N 3.1Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.75Å
66L91.4Very high96.5Very high125 Ų12558.4 Ų58.465%0.65434%0.343SS*.THydrogen-bonded Turntrans-85.45.9176.8-64.1175.8000113.6L25 G62 V63 T64 G68L25-L66 HydrophobicContact CD1-CD2 4.26Å; G62-L66 WeakPolarHBondContact O-CG 3.39Å; G62-L66 PolarHBondContact O-N 3.35Å; V63-L66 PolarHBondContact O-N 2.88Å; T64-L66 PolarHBondContact O-N 2.81Å; L66-G68 PolarHBondContact O-N 2.85Å
67G92.2Very high96.5Very high67 Ų6758.5 Ų58.569%0.69134%0.343SS*.THydrogen-bonded Turntrans73.112.6-179.100000114.3V63 T64 V65V63-G67 PolarHBondContact O-N 3.09Å; T64-G67 PolarHBondContact O-N 2.54Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.75Å
68G94.3Very high96.4Very high13 Ų1356.3 Ų56.313%0.13434%0.336CS..  trans-75.4151.5177.700000112.6V63 L66V63-G68 PolarHBondContact O-N 2.94Å; L66-G68 PolarHBondContact O-N 2.85Å
69Q96Very high96.4Very high106 Ų10654.7 Ų54.750%0.49532%0.324SS..EExtended strand (participates in β ladder)trans-88.1152.1169.4-61.6-178.3900110.2A40 F41 V42A40-Q69 PolarHBondContact O-N 3.01Å; F41-Q69 CarbonylContact C-O 3.55Å; F41-Q69 VanDerWaalsContact CA-O 3.31Å; F41-Q69 WeakPolarHBondContact CA-O 3.35Å; F41-Q69 HydrophobicContact CD2-CB 3.7Å; F41-Q69 HydrophobicContact CE2-CB 4.31Å; V42-Q69 PolarHBondContact N-O 2.74Å
70F97.2Very high96.5Very high80 Ų8051.2 Ų51.235%0.35130%0.303SS..EExtended strand (participates in β ladder)trans-144.2165.1175.968.6-87.2000113.3V42 I44 I60 V63V42-F70 HydrophobicContact CB-CB 4.46Å; V42-F70 CarbonylContact O-C 3.48Å; V42-F70 WeakPolarHBondContact O-CA 3.16Å; V42-F70 WeakPolarHBondContact O-CB 3.47Å; I44-F70 HydrophobicContact CD1-CB 4.3Å; I44-F70 HydrophobicContact CD1-CD2 4.36Å; I60-F70 HydrophobicContact CB-CE2 4.49Å; I60-F70 HydrophobicContact CB-CZ 4.46Å; I60-F70 HydrophobicContact CD1-CD2 4.4Å; I60-F70 HydrophobicContact CD1-CE2 3.94Å; I60-F70 HydrophobicContact CG1-CD2 4.01Å; I60-F70 HydrophobicContact CG1-CE2 3.89Å; I60-F70 HydrophobicContact CG1-CZ 4.35Å; I60-F70 HydrophobicContact CG2-CD1 4.26Å; I60-F70 HydrophobicContact CG2-CD2 4.43Å; I60-F70 HydrophobicContact CG2-CE1 3.63Å; I60-F70 HydrophobicContact CG2-CE2 3.82Å; I60-F70 HydrophobicContact CG2-CZ 3.38Å; V63-F70 HydrophobicContact CG1-CB 4.17Å; V63-F70 HydrophobicContact CG1-CD1 4.42Å
71H97.4Very high96.4Very high74 Ų7452.7 Ų52.734%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-138.6116.8166.8-172.393.8000110.1F41 V42 I44 Y73F41-H71 HydrophobicContact CE1-CB 4.31Å; F41-H71 HydrophobicContact CZ-CB 3.71Å; V42-H71 PolarHBondContact O-N 2.74Å; I44-H71 PolarHBondContact N-O 3.03Å; H71-Y73 AromaticContact CD2-CD1 3.92Å; H71-Y73 AromaticContact CD2-CD2 3.44Å; H71-Y73 VanDerWaalsContact CD2-CD2 3.44Å; H71-Y73 WeakPolarHBondContact CD2-CD2 3.5Å; H71-Y73 AromaticContact CD2-CE1 3.75Å; H71-Y73 AromaticContact CD2-CE2 3.22Å; H71-Y73 WeakPolarHBondContact CD2-CE2 3.49Å; H71-Y73 AromaticContact CD2-CG 3.77Å; H71-Y73 AromaticContact CD2-CZ 3.38Å; H71-Y73 AromaticContact NE2-CD1 3.73Å; H71-Y73 AromaticContact NE2-CE1 3.5Å; H71-Y73 WeakPolarHBondContact NE2-CE1 3.32Å; H71-Y73 AromaticContact NE2-CE2 3.89Å; H71-Y73 AromaticContact NE2-CZ 3.56Å
72D97.8Very high96.3Very high56 Ų5651.6 Ų51.630%0.29930%0.303SS..EExtended strand (participates in β ladder)trans-90.6112.9173.7-176.917.6000110I44 R46 I60 G74I44-D72 HydrophobicContact CB-CB 4.49Å; R46-D72 IonicContact NH1-OD1 2.68Å; R46-D72 PolarHBondContact NH1-OD1 3.01Å; R46-D72 IonicContact NH1-OD2 3.94Å; R46-D72 PolarHBondContact NH1-OD2 2.72Å; I60-D72 HydrophobicContact CD1-CB 4.31Å; D72-G74 VanDerWaalsContact C-N 3.27Å; D72-G74 WeakPolarHBondContact OD1-CA 3.39Å; D72-G74 PolarHBondContact OD1-N 3.13Å
73Y97.1Very high96.4Very high32 Ų3249.9 Ų49.913%0.12529%0.285CS..EExtended strand (participates in β ladder)trans-82.9-4.6173.1-75.3-84.4000112.6V43 I44 H71 L76 M84 R88 A97V43-Y73 HydrophobicContact CG1-CD2 3.41Å; V43-Y73 VanDerWaalsContact CG1-CD2 3.41Å; V43-Y73 HydrophobicContact CG1-CE2 3.38Å; V43-Y73 HydrophobicContact CG2-CE2 4.46Å; I44-Y73 PolarHBondContact O-N 3.07Å; H71-Y73 AromaticContact CD2-CD1 3.92Å; H71-Y73 AromaticContact CD2-CD2 3.44Å; H71-Y73 VanDerWaalsContact CD2-CD2 3.44Å; H71-Y73 WeakPolarHBondContact CD2-CD2 3.5Å; H71-Y73 AromaticContact CD2-CE1 3.75Å; H71-Y73 AromaticContact CD2-CE2 3.22Å; H71-Y73 WeakPolarHBondContact CD2-CE2 3.49Å; H71-Y73 AromaticContact CD2-CG 3.77Å; H71-Y73 AromaticContact CD2-CZ 3.38Å; H71-Y73 AromaticContact NE2-CD1 3.73Å; H71-Y73 AromaticContact NE2-CE1 3.5Å; H71-Y73 WeakPolarHBondContact NE2-CE1 3.32Å; H71-Y73 AromaticContact NE2-CE2 3.89Å; H71-Y73 AromaticContact NE2-CZ 3.56Å; Y73-L76 VanDerWaalsContact CB-CD1 3.41Å; Y73-L76 HydrophobicContact CD2-CD1 4.41Å; Y73-L76 HydrophobicContact CG-CD1 4Å; Y73-M84 HydrophobicContact CD1-CE 4.46Å; Y73-M84 HydrophobicContact CD1-CG 4.26Å; Y73-M84 HydrophobicContact CD1-SD 4.39Å; Y73-M84 HydrophobicContact CD2-CB 4.25Å; Y73-M84 HydrophobicContact CD2-CG 3.94Å; Y73-M84 HydrophobicContact CE1-CE 4.47Å; Y73-M84 HydrophobicContact CE1-CG 4.05Å; Y73-M84 HydrophobicContact CE1-SD 3.91Å; Y73-M84 HydrophobicContact CE2-CB 3.73Å; Y73-M84 HydrophobicContact CE2-CG 3.74Å; Y73-M84 HydrophobicContact CG-CG 4.22Å; Y73-R88 PolarHBondContact OH-NE 3.15Å; Y73-R88 VanDerWaalsContact OH-NE 3.09Å; Y73-R88 PolarHBondContact OH-NH2 2.72Å; Y73-A97 WeakPolarHBondContact CE1-O 3.28Å; Y73-A97 PolarHBondContact OH-O 3.45Å
74G97.8Very high96.4Very high11 Ų1149 Ų4911%0.11328%0.279CS..EExtended strand (participates in β ladder)trans70.7-131.4-17900000112.3G45 R46 D72 L76G45-G74 CarbonylContact C-O 3.55Å; G45-G74 WeakPolarHBondContact CA-O 3.41Å; R46-G74 PolarHBondContact N-O 2.97Å; D72-G74 VanDerWaalsContact C-N 3.27Å; D72-G74 WeakPolarHBondContact OD1-CA 3.39Å; D72-G74 PolarHBondContact OD1-N 3.13Å; G74-L76 PolarHBondContact O-N 3.09Å
75L98.2Very high96.2Very high66 Ų6647.9 Ų47.935%0.34627%0.272SS..EExtended strand (participates in β ladder)trans-71.3116.2-178-70.8177000111R46 D47 T48 I135 L138 K139R46-L75 HydrophobicContact CG-CD2 4.29Å; R46-L75 VanDerWaalsContact O-CA 3.32Å; R46-L75 WeakPolarHBondContact O-CA 3.37Å; D47-L75 VanDerWaalsContact O-CD2 3.28Å; D47-L75 WeakPolarHBondContact O-CD2 3.3Å; T48-L75 HydrophobicContact CG2-CD2 4.35Å; L75-I135 HydrophobicContact CB-CD1 3.78Å; L75-I135 HydrophobicContact CD2-CD1 4.34Å; L75-I135 HydrophobicContact CG-CD1 4.47Å; L75-L138 HydrophobicContact CD1-CD1 4.22Å; L75-K139 WeakPolarHBondContact O-CE 3.44Å; L75-K139 PolarHBondContact O-NZ 3.25Å
76L98.1Very high96.1Very high4 Ų444.8 Ų44.82%0.02125%0.248CC..  trans-141.8152.2178.4-69.6-173.2000111.1R46 Y73 G74 Q80 L81 M84 I99 I135R46-L76 PolarHBondContact O-N 3.42Å; Y73-L76 VanDerWaalsContact CB-CD1 3.41Å; Y73-L76 HydrophobicContact CD2-CD1 4.41Å; Y73-L76 HydrophobicContact CG-CD1 4Å; G74-L76 PolarHBondContact O-N 3.09Å; L76-Q80 HydrophobicContact CB-CB 4.12Å; L76-Q80 HydrophobicContact CD1-CB 4.41Å; L76-Q80 HydrophobicContact CD2-CB 4.06Å; L76-Q80 HydrophobicContact CG-CB 4.44Å; L76-L81 HydrophobicContact CD1-CB 4.3Å; L76-L81 HydrophobicContact CD1-CD1 4.46Å; L76-M84 HydrophobicContact CD1-CG 4.27Å; L76-M84 HydrophobicContact CD2-CE 4.45Å; L76-I99 HydrophobicContact CD2-CD1 3.9Å; L76-I99 HydrophobicContact CD2-CG1 3.75Å; L76-I135 WeakPolarHBondContact O-CG1 3.32Å
77T98.6Very high96.1Very high10 Ų1038.9 Ų38.96%0.06122%0.217CC..  trans-70157.6161.173.90000110.4Q80 L81 I135 K139 D197 A198T77-Q80 WeakPolarHBondContact O-CB 3.38Å; T77-Q80 PolarHBondContact O-N 3.12Å; T77-Q80 VanDerWaalsContact O-N 3.11Å; T77-Q80 VanDerWaalsContact OG1-CG 3.29Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.43Å; T77-Q80 PolarHBondContact OG1-N 2.9Å; T77-Q80 VanDerWaalsContact OG1-N 3.14Å; T77-L81 PolarHBondContact O-N 2.72Å; T77-L81 VanDerWaalsContact O-N 3.15Å; T77-I135 HydrophobicContact CG2-CG2 4.17Å; T77-K139 HydrophobicContact CG2-CB 3.98Å; T77-K139 HydrophobicContact CG2-CG 3.84Å; T77-D197 WeakPolarHBondContact CB-O 3.09Å; T77-A198 HydrophobicContact CG2-CB 4.04Å
78T97.3Very high96Very high50 Ų5040 Ų4031%0.30720%0.2SC..Hα-helixtrans-56.2-45.8174.5-690000111.6Q80 L81 H82 D197 D199T78-Q80 VanDerWaalsContact C-N 3.34Å; T78-Q80 PolarHBondContact O-N 3.2Å; T78-L81 PolarHBondContact O-N 3.34Å; T78-H82 PolarHBondContact O-CD2 3.39Å; T78-H82 PolarHBondContact O-N 3.16Å; T78-D197 WeakPolarHBondContact CB-OD2 3.35Å; T78-D197 PolarHBondContact N-O 2.72Å; T78-D197 VanDerWaalsContact N-O 3.17Å; T78-D197 PolarHBondContact OG1-OD2 2.61Å; T78-D199 HydrophobicContact CG2-CB 4.43Å
79P97.4Very high95.6Very high30 Ų3043 Ų4320%0.19521%0.213CC..Hα-helixtrans-60.1-36174-27.535.9000114.7H82 Y83 A198 D199 N332P79-H82 PolarHBondContact O-N 2.91Å; P79-Y83 PolarHBondContact O-N 3.44Å; P79-A198 WeakPolarHBondContact CG-O 3.44Å; P79-D199 HydrophobicContact CG-CB 4.33Å; P79-N332 PolarHBondContact O-ND2 2.94Å
80Q97.9Very high95Very high1 Ų138.6 Ų38.61%0.00519%0.193CC..Hα-helixtrans-64.4-41.8177.1-78.6176.5-31.200111.7L76 T77 T78 H82 Y83 M84 Y102 Y103L76-Q80 HydrophobicContact CB-CB 4.12Å; L76-Q80 HydrophobicContact CD1-CB 4.41Å; L76-Q80 HydrophobicContact CD2-CB 4.06Å; L76-Q80 HydrophobicContact CG-CB 4.44Å; T77-Q80 WeakPolarHBondContact O-CB 3.38Å; T77-Q80 PolarHBondContact O-N 3.12Å; T77-Q80 VanDerWaalsContact O-N 3.11Å; T77-Q80 VanDerWaalsContact OG1-CG 3.29Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.43Å; T77-Q80 PolarHBondContact OG1-N 2.9Å; T77-Q80 VanDerWaalsContact OG1-N 3.14Å; T78-Q80 VanDerWaalsContact C-N 3.34Å; T78-Q80 PolarHBondContact O-N 3.2Å; Q80-H82 VanDerWaalsContact C-N 3.33Å; Q80-H82 PolarHBondContact O-N 3.38Å; Q80-Y83 WeakPolarHBondContact O-CB 3.32Å; Q80-Y83 PolarHBondContact O-N 3.48Å; Q80-M84 WeakPolarHBondContact O-CG 3.37Å; Q80-M84 PolarHBondContact O-N 3.39Å; Q80-Y102 HydrophobicContact CG-CD1 3.71Å; Q80-Y102 HydrophobicContact CG-CD2 4.2Å; Q80-Y102 HydrophobicContact CG-CE1 3.6Å; Q80-Y102 HydrophobicContact CG-CE2 4.1Å; Q80-Y102 HydrophobicContact CG-CG 4Å; Q80-Y103 VanDerWaalsContact NE2-CE1 3.29Å; Q80-Y103 PolarHBondContact NE2-OH 3.45Å
81L97.6Very high94.3Very high44 Ų4438.2 Ų38.223%0.2321%0.212CC..Hα-helixtrans-60.4-45.1176.1179.259.7000111.2V43 L76 T77 T78 Y83 M84 V85V43-L81 HydrophobicContact CB-CD1 4.41Å; V43-L81 HydrophobicContact CG1-CD1 3.62Å; L76-L81 HydrophobicContact CD1-CB 4.3Å; L76-L81 HydrophobicContact CD1-CD1 4.46Å; T77-L81 PolarHBondContact O-N 2.72Å; T77-L81 VanDerWaalsContact O-N 3.15Å; T78-L81 PolarHBondContact O-N 3.34Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.37Å; L81-V85 WeakPolarHBondContact O-CG2 3.47Å; L81-V85 PolarHBondContact O-N 2.63Å; L81-V85 VanDerWaalsContact O-N 3.11Å
82H95.6Very high93.6Very high57 Ų5736.7 Ų36.726%0.26422%0.216SC..Hα-helixtrans-59.4-40.6175-87-100.2000112.9T78 P79 Q80 V85 Y86 V334T78-H82 PolarHBondContact O-CD2 3.39Å; T78-H82 PolarHBondContact O-N 3.16Å; P79-H82 PolarHBondContact O-N 2.91Å; Q80-H82 VanDerWaalsContact C-N 3.33Å; Q80-H82 PolarHBondContact O-N 3.38Å; H82-V85 PolarHBondContact O-N 2.8Å; H82-Y86 WeakPolarHBondContact O-CB 3.19Å; H82-Y86 PolarHBondContact O-N 3.13Å; H82-V334 HydrophobicContact CB-CG2 4.2Å
83Y96Very high92.9Very high2 Ų241 Ų411%0.00823%0.229CC..Hα-helixtrans-60.8-45.6174.5174.1-93.9000111.8P79 Q80 L81 V85 Y86 C87 Y94 K96 G101 Y102 K105P79-Y83 PolarHBondContact O-N 3.44Å; Q80-Y83 WeakPolarHBondContact O-CB 3.32Å; Q80-Y83 PolarHBondContact O-N 3.48Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.39Å; Y83-V85 VanDerWaalsContact C-N 3.34Å; Y83-V85 PolarHBondContact O-N 3.27Å; Y83-Y86 PolarHBondContact O-N 3.35Å; Y83-C87 VanDerWaalsContact CE1-SG 3.59Å; Y83-C87 VanDerWaalsContact CE2-SG 3.51Å; Y83-C87 WeakPolarHBondContact O-CB 3.4Å; Y83-C87 PolarHBondContact O-N 2.99Å; Y83-C87 PolarHBondContact O-SG 2.94Å; Y83-Y94 HydrophobicContact CD2-CD1 4.12Å; Y83-Y94 AromaticContact CD2-CE1 3.75Å; Y83-Y94 HydrophobicContact CD2-CE1 3.75Å; Y83-Y94 HydrophobicContact CE2-CD1 4.07Å; Y83-Y94 AromaticContact CE2-CE1 3.96Å; Y83-Y94 HydrophobicContact CE2-CE1 3.96Å; Y83-K96 VanDerWaalsContact CE1-O 3.24Å; Y83-K96 WeakPolarHBondContact CE1-O 3.45Å; Y83-K96 PolarHBondContact OH-N 2.89Å; Y83-K96 PolarHBondContact OH-O 3.31Å; Y83-G101 VanDerWaalsContact OH-C 3.25Å; Y83-G101 PolarHBondContact OH-O 3.12Å; Y83-Y102 AromaticContact CD1-CD2 3.87Å; Y83-Y102 HydrophobicContact CD1-CD2 3.87Å; Y83-Y102 HydrophobicContact CD1-CG 4.31Å; Y83-Y102 AromaticContact CD2-CD2 3.86Å; Y83-Y102 HydrophobicContact CD2-CD2 3.86Å; Y83-Y102 HydrophobicContact CE1-CD2 4.44Å; Y83-Y102 HydrophobicContact CE2-CD2 4.45Å; Y83-Y102 AromaticContact CG-CD2 3.55Å; Y83-Y102 HydrophobicContact CG-CD2 3.55Å; Y83-Y102 HydrophobicContact CG-CE2 4.4Å; Y83-Y102 HydrophobicContact CG-CG 4.41Å; Y83-K105 HydrophobicContact CE2-CD 3.8Å
84M95.7Very high92.4Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-60.2-45.1179.3-59.2-46.9165.200111.8V43 Y73 L76 Q80 L81 Y86 R88 T98 I99V43-M84 HydrophobicContact CG1-CB 4.2Å; Y73-M84 HydrophobicContact CD1-CE 4.46Å; Y73-M84 HydrophobicContact CD1-CG 4.26Å; Y73-M84 HydrophobicContact CD1-SD 4.39Å; Y73-M84 HydrophobicContact CD2-CB 4.25Å; Y73-M84 HydrophobicContact CD2-CG 3.94Å; Y73-M84 HydrophobicContact CE1-CE 4.47Å; Y73-M84 HydrophobicContact CE1-CG 4.05Å; Y73-M84 HydrophobicContact CE1-SD 3.91Å; Y73-M84 HydrophobicContact CE2-CB 3.73Å; Y73-M84 HydrophobicContact CE2-CG 3.74Å; Y73-M84 HydrophobicContact CG-CG 4.22Å; L76-M84 HydrophobicContact CD1-CG 4.27Å; L76-M84 HydrophobicContact CD2-CE 4.45Å; Q80-M84 WeakPolarHBondContact O-CG 3.37Å; Q80-M84 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.37Å; M84-Y86 VanDerWaalsContact C-N 3.34Å; M84-R88 WeakPolarHBondContact O-CG 3.38Å; M84-R88 PolarHBondContact O-N 2.96Å; M84-R88 VanDerWaalsContact O-N 3.12Å; M84-T98 WeakPolarHBondContact CE-O 3.49Å; M84-T98 PolarHBondContact SD-N 2.93Å; M84-T98 VanDerWaalsContact SD-N 3.35Å; M84-I99 HydrophobicContact CE-CG1 4.06Å
85V93.4Very high92.1Very high55 Ų5541.4 Ų41.433%0.33323%0.232SC..Hα-helixtrans-60-46.9177.41730000110.2V43 L81 H82 Y83 R88 N89V43-V85 HydrophobicContact CB-CG2 4.07Å; V43-V85 HydrophobicContact CG2-CG2 4.41Å; L81-V85 WeakPolarHBondContact O-CG2 3.47Å; L81-V85 PolarHBondContact O-N 2.63Å; L81-V85 VanDerWaalsContact O-N 3.11Å; H82-V85 PolarHBondContact O-N 2.8Å; Y83-V85 VanDerWaalsContact C-N 3.34Å; Y83-V85 PolarHBondContact O-N 3.27Å; V85-R88 PolarHBondContact O-N 3.31Å; V85-N89 PolarHBondContact O-N 3.12Å; V85-N89 VanDerWaalsContact O-N 3.09Å; V85-N89 PolarHBondContact O-ND2 3.28Å
86Y90.9Very high92Very high57 Ų5745 Ų4522%0.22425%0.245CC..Hα-helixtrans-69.6-41.5-176.6-169.8-148.2000112.9H82 Y83 M84 R88 N89 T90 Y94 Q333 A335H82-Y86 WeakPolarHBondContact O-CB 3.19Å; H82-Y86 PolarHBondContact O-N 3.13Å; Y83-Y86 PolarHBondContact O-N 3.35Å; M84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-R88 VanDerWaalsContact C-N 3.32Å; Y86-R88 PolarHBondContact O-N 3.41Å; Y86-N89 PolarHBondContact O-N 3.48Å; Y86-T90 HydrophobicContact CD2-CG2 3.61Å; Y86-T90 HydrophobicContact CE2-CG2 3.3Å; Y86-T90 HydrophobicContact CG-CG2 4.46Å; Y86-T90 WeakPolarHBondContact O-CB 3.5Å; Y86-T90 WeakPolarHBondContact O-CG2 3.06Å; Y86-T90 PolarHBondContact O-N 3.38Å; Y86-T90 PolarHBondContact O-OG1 3.33Å; Y86-Y94 AromaticContact CD1-CD1 3.28Å; Y86-Y94 HydrophobicContact CD1-CD1 3.28Å; Y86-Y94 AromaticContact CD1-CD2 3.68Å; Y86-Y94 HydrophobicContact CD1-CD2 3.68Å; Y86-Y94 AromaticContact CD1-CE1 3.46Å; Y86-Y94 HydrophobicContact CD1-CE1 3.46Å; Y86-Y94 VanDerWaalsContact CD1-CE1 3.46Å; Y86-Y94 AromaticContact CD1-CE2 3.85Å; Y86-Y94 HydrophobicContact CD1-CE2 3.85Å; Y86-Y94 AromaticContact CD1-CG 3.4Å; Y86-Y94 HydrophobicContact CD1-CG 3.4Å; Y86-Y94 AromaticContact CD1-CZ 3.73Å; Y86-Y94 AromaticContact CE1-CD1 3.8Å; Y86-Y94 HydrophobicContact CE1-CD1 3.8Å; Y86-Y94 AromaticContact CE1-CD2 3.22Å; Y86-Y94 HydrophobicContact CE1-CD2 3.22Å; Y86-Y94 AromaticContact CE1-CE1 3.96Å; Y86-Y94 HydrophobicContact CE1-CE1 3.96Å; Y86-Y94 AromaticContact CE1-CE2 3.41Å; Y86-Y94 HydrophobicContact CE1-CE2 3.41Å; Y86-Y94 VanDerWaalsContact CE1-CE2 3.41Å; Y86-Y94 AromaticContact CE1-CG 3.42Å; Y86-Y94 HydrophobicContact CE1-CG 3.42Å; Y86-Y94 VanDerWaalsContact CE1-CG 3.42Å; Y86-Y94 AromaticContact CE1-CZ 3.77Å; Y86-Y94 HydrophobicContact CG-CD1 4.12Å; Y86-Y94 HydrophobicContact CG-CG 4.28Å; Y86-Q333 WeakPolarHBondContact CD1-O 3.36Å; Y86-Q333 WeakPolarHBondContact CE1-O 3.36Å; Y86-A335 HydrophobicContact CD2-CB 3.47Å; Y86-A335 VanDerWaalsContact CD2-CB 3.47Å; Y86-A335 HydrophobicContact CE2-CB 3.2Å; Y86-A335 HydrophobicContact CG-CB 4.47Å
87C91.4Very high91.8Very high1 Ų145.9 Ų45.91%0.00725%0.253CS..Hα-helixtrans-60.4-39.9174.9-760000112.7Y83 T90 G91 G92 G95 A97Y83-C87 VanDerWaalsContact CE1-SG 3.59Å; Y83-C87 VanDerWaalsContact CE2-SG 3.51Å; Y83-C87 WeakPolarHBondContact O-CB 3.4Å; Y83-C87 PolarHBondContact O-N 2.99Å; Y83-C87 PolarHBondContact O-SG 2.94Å; C87-T90 PolarHBondContact O-OG1 3.41Å; C87-G91 PolarHBondContact O-N 2.9Å; C87-G92 PolarHBondContact O-N 2.85Å; C87-G95 WeakPolarHBondContact CB-O 3.29Å; C87-G95 PolarHBondContact SG-O 3.46Å; C87-A97 HydrophobicContact CB-CB 3.65Å
88R90.3Very high91.7Very high91 Ų9148.5 Ų48.534%0.34327%0.269SS..Hα-helixtrans-65.9-49.6177.2-76.1179.4174.6-94.31.7111.6Y73 M84 V85 Y86 T90 G91 A97Y73-R88 PolarHBondContact OH-NE 3.15Å; Y73-R88 VanDerWaalsContact OH-NE 3.09Å; Y73-R88 PolarHBondContact OH-NH2 2.72Å; M84-R88 WeakPolarHBondContact O-CG 3.38Å; M84-R88 PolarHBondContact O-N 2.96Å; M84-R88 VanDerWaalsContact O-N 3.12Å; V85-R88 PolarHBondContact O-N 3.31Å; Y86-R88 VanDerWaalsContact C-N 3.32Å; Y86-R88 PolarHBondContact O-N 3.41Å; R88-T90 PolarHBondContact O-N 3.49Å; R88-G91 PolarHBondContact O-N 3.02Å; R88-G91 VanDerWaalsContact O-N 3.12Å; R88-A97 HydrophobicContact CG-CB 3.64Å
89N85.8Confident91.7Very high75 Ų7548.2 Ų48.240%0.40127%0.265SS..Hα-helixtrans-70.1-17.7-177.8-66.7-25.3000113.3V85 Y86 R337V85-N89 PolarHBondContact O-N 3.12Å; V85-N89 VanDerWaalsContact O-N 3.09Å; V85-N89 PolarHBondContact O-ND2 3.28Å; Y86-N89 PolarHBondContact O-N 3.48Å; N89-R337 PolarHBondContact ND2-NH2 3.46Å
90T83.5Confident91.7Very high14 Ų1451.5 Ų51.59%0.08628%0.278CS..THydrogen-bonded Turntrans-94.15.8174.755.50000114Y86 C87 R88 G92 R93 Y94Y86-T90 HydrophobicContact CD2-CG2 3.61Å; Y86-T90 HydrophobicContact CE2-CG2 3.3Å; Y86-T90 HydrophobicContact CG-CG2 4.46Å; Y86-T90 WeakPolarHBondContact O-CB 3.5Å; Y86-T90 WeakPolarHBondContact O-CG2 3.06Å; Y86-T90 PolarHBondContact O-N 3.38Å; Y86-T90 PolarHBondContact O-OG1 3.33Å; C87-T90 PolarHBondContact O-OG1 3.41Å; R88-T90 PolarHBondContact O-N 3.49Å; T90-G92 PolarHBondContact O-N 3.21Å; T90-R93 WeakPolarHBondContact O-CB 3.36Å; T90-R93 WeakPolarHBondContact O-CG 3.46Å; T90-R93 PolarHBondContact O-N 3.48Å; T90-R93 PolarHBondContact O-NE 3.38Å; T90-R93 VanDerWaalsContact O-NE 3.1Å; T90-Y94 WeakPolarHBondContact OG1-CB 3.32Å; T90-Y94 PolarHBondContact OG1-N 2.87Å
91G83.5Confident91.6Very high72 Ų7251.7 Ų51.774%0.74228%0.279SS*.THydrogen-bonded Turntrans63.131.1-177.500000112.9C87 R88 R93C87-G91 PolarHBondContact O-N 2.9Å; R88-G91 PolarHBondContact O-N 3.02Å; R88-G91 VanDerWaalsContact O-N 3.12Å; G91-R93 VanDerWaalsContact C-N 3.32Å; G91-R93 PolarHBondContact O-N 3.11Å
92G81.4Confident91.6Very high42 Ų4251 Ų5143%0.43327%0.274SS..THydrogen-bonded Turntrans82.5-1.9-178.200000115.5C87 T90 Y94 G95C87-G92 PolarHBondContact O-N 2.85Å; T90-G92 PolarHBondContact O-N 3.21Å; G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact O-N 2.91Å; G92-G95 CarbonylContact C-O 3.59Å; G92-G95 WeakPolarHBondContact CA-O 3.36Å; G92-G95 CarbonylContact O-C 3.45Å; G92-G95 PolarHBondContact O-N 2.92Å
93R84.2Confident91.7Very high148 Ų14848.7 Ų48.756%0.55826%0.263SS*.SBendtrans-66.4-32-179.3-69-179-61.5141.926.3113.4T90 G91 G95T90-R93 WeakPolarHBondContact O-CB 3.36Å; T90-R93 WeakPolarHBondContact O-CG 3.46Å; T90-R93 PolarHBondContact O-N 3.48Å; T90-R93 PolarHBondContact O-NE 3.38Å; T90-R93 VanDerWaalsContact O-NE 3.1Å; G91-R93 VanDerWaalsContact C-N 3.32Å; G91-R93 PolarHBondContact O-N 3.11Å; R93-G95 VanDerWaalsContact C-N 3.34Å
94Y86.3Confident91.7Very high33 Ų3352.2 Ų52.213%0.12928%0.28CS..SBendtrans-76.9-22.5175.3-173-108.9000113.4Y83 Y86 T90 G92 K105 F331 N332 Q333Y83-Y94 HydrophobicContact CD2-CD1 4.12Å; Y83-Y94 AromaticContact CD2-CE1 3.75Å; Y83-Y94 HydrophobicContact CD2-CE1 3.75Å; Y83-Y94 HydrophobicContact CE2-CD1 4.07Å; Y83-Y94 AromaticContact CE2-CE1 3.96Å; Y83-Y94 HydrophobicContact CE2-CE1 3.96Å; Y86-Y94 AromaticContact CD1-CD1 3.28Å; Y86-Y94 HydrophobicContact CD1-CD1 3.28Å; Y86-Y94 AromaticContact CD1-CD2 3.68Å; Y86-Y94 HydrophobicContact CD1-CD2 3.68Å; Y86-Y94 AromaticContact CD1-CE1 3.46Å; Y86-Y94 HydrophobicContact CD1-CE1 3.46Å; Y86-Y94 VanDerWaalsContact CD1-CE1 3.46Å; Y86-Y94 AromaticContact CD1-CE2 3.85Å; Y86-Y94 HydrophobicContact CD1-CE2 3.85Å; Y86-Y94 AromaticContact CD1-CG 3.4Å; Y86-Y94 HydrophobicContact CD1-CG 3.4Å; Y86-Y94 AromaticContact CD1-CZ 3.73Å; Y86-Y94 AromaticContact CE1-CD1 3.8Å; Y86-Y94 HydrophobicContact CE1-CD1 3.8Å; Y86-Y94 AromaticContact CE1-CD2 3.22Å; Y86-Y94 HydrophobicContact CE1-CD2 3.22Å; Y86-Y94 AromaticContact CE1-CE1 3.96Å; Y86-Y94 HydrophobicContact CE1-CE1 3.96Å; Y86-Y94 AromaticContact CE1-CE2 3.41Å; Y86-Y94 HydrophobicContact CE1-CE2 3.41Å; Y86-Y94 VanDerWaalsContact CE1-CE2 3.41Å; Y86-Y94 AromaticContact CE1-CG 3.42Å; Y86-Y94 HydrophobicContact CE1-CG 3.42Å; Y86-Y94 VanDerWaalsContact CE1-CG 3.42Å; Y86-Y94 AromaticContact CE1-CZ 3.77Å; Y86-Y94 HydrophobicContact CG-CD1 4.12Å; Y86-Y94 HydrophobicContact CG-CG 4.28Å; T90-Y94 WeakPolarHBondContact OG1-CB 3.32Å; T90-Y94 PolarHBondContact OG1-N 2.87Å; G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact O-N 2.91Å; Y94-K105 PolarHBondContact O-NZ 2.87Å; Y94-K105 PolarHBondContact OH-NZ 3.15Å; Y94-F331 PolarHBondContact OH-O 2.92Å; Y94-N332 WeakPolarHBondContact OH-CA 3.31Å; Y94-Q333 PolarHBondContact OH-N 3.12Å
95G91.4Very high91.6Very high18 Ų1853.8 Ų53.819%0.18629%0.286CS..  trans154177.3-174.300000112C87 G92 R93C87-G95 WeakPolarHBondContact CB-O 3.29Å; C87-G95 PolarHBondContact SG-O 3.46Å; G92-G95 CarbonylContact C-O 3.59Å; G92-G95 WeakPolarHBondContact CA-O 3.36Å; G92-G95 CarbonylContact O-C 3.45Å; G92-G95 PolarHBondContact O-N 2.92Å; R93-G95 VanDerWaalsContact C-N 3.34Å
96K95Very high91.7Very high142 Ų14252 Ų5262%0.61728%0.275SS*.  trans-85.6123.7177.4-64.8178.4-1791760109.7Y83 T98Y83-K96 VanDerWaalsContact CE1-O 3.24Å; Y83-K96 WeakPolarHBondContact CE1-O 3.45Å; Y83-K96 PolarHBondContact OH-N 2.89Å; Y83-K96 PolarHBondContact OH-O 3.31Å; K96-T98 PolarHBondContact O-N 3.42Å
97A95.6Very high91.9Very high21 Ų2149.4 Ų49.417%0.17427%0.265CS..SBendtrans-69.862.4179.400000113.4Y73 C87 R88Y73-A97 WeakPolarHBondContact CE1-O 3.28Å; Y73-A97 PolarHBondContact OH-O 3.45Å; C87-A97 HydrophobicContact CB-CB 3.65Å; R88-A97 HydrophobicContact CG-CB 3.64Å
98T96.5Very high92Very high65 Ų6556.6 Ų56.640%0.39930%0.296SS..SBendtrans-145.3155.1-178.158.40000109.3M84 K96 E100 G101 Y102M84-T98 WeakPolarHBondContact CE-O 3.49Å; M84-T98 PolarHBondContact SD-N 2.93Å; M84-T98 VanDerWaalsContact SD-N 3.35Å; K96-T98 PolarHBondContact O-N 3.42Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.14Å; T98-G101 PolarHBondContact O-N 3.35Å; T98-G101 VanDerWaalsContact O-N 3.11Å; T98-G101 WeakPolarHBondContact OG1-CA 3.34Å; T98-G101 PolarHBondContact OG1-N 3.02Å; T98-Y102 PolarHBondContact O-N 3.11Å; T98-Y102 VanDerWaalsContact O-N 3.07Å
99I96.8Very high92.2Very high45 Ų4552.3 Ų52.323%0.23128%0.281CS..Hα-helixtrans-56.3-45.9176.4-65.7174.1000110.6L76 M84 G101 Y102 Y103L76-I99 HydrophobicContact CD2-CD1 3.9Å; L76-I99 HydrophobicContact CD2-CG1 3.75Å; M84-I99 HydrophobicContact CE-CG1 4.06Å; I99-G101 PolarHBondContact O-N 3.41Å; I99-Y102 WeakPolarHBondContact O-CB 3.18Å; I99-Y102 PolarHBondContact O-N 3.3Å; I99-Y103 HydrophobicContact CG2-CD2 4.01Å; I99-Y103 HydrophobicContact CG2-CE1 4.2Å; I99-Y103 HydrophobicContact CG2-CE2 3.26Å; I99-Y103 WeakPolarHBondContact CG2-OH 3.41Å; I99-Y103 PolarHBondContact O-N 3.09Å; I99-Y103 VanDerWaalsContact O-N 3.11Å
100E96.9Very high92.5Very high99 Ų9951.4 Ų51.446%0.46327%0.273SS..Hα-helixtrans-65.1-37177.1175.7151.5-154.200112.7T98 Y102 Y103 Q104 Y146T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.14Å; E100-Y102 VanDerWaalsContact C-N 3.3Å; E100-Y102 PolarHBondContact O-N 2.89Å; E100-Y103 PolarHBondContact O-N 3.42Å; E100-Q104 HydrophobicContact CG-CG 4Å; E100-Q104 VanDerWaalsContact CG-NE2 3.28Å; E100-Q104 WeakPolarHBondContact O-CB 3.32Å; E100-Q104 VanDerWaalsContact O-CG 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.43Å; E100-Q104 PolarHBondContact O-N 3.29Å; E100-Q104 PolarHBondContact OE1-NE2 3.01Å; E100-Y146 WeakPolarHBondContact CG-OH 3.25Å; E100-Y146 PolarHBondContact OE1-OH 3.35Å
101G96.8Very high92.9Very high4 Ų451.1 Ų51.14%0.04127%0.271CS..Hα-helixtrans-59.1-40173.400000113.1Y83 T98 I99 K105Y83-G101 VanDerWaalsContact OH-C 3.25Å; Y83-G101 PolarHBondContact OH-O 3.12Å; T98-G101 PolarHBondContact O-N 3.35Å; T98-G101 VanDerWaalsContact O-N 3.11Å; T98-G101 WeakPolarHBondContact OG1-CA 3.34Å; T98-G101 PolarHBondContact OG1-N 3.02Å; I99-G101 PolarHBondContact O-N 3.41Å; G101-K105 VanDerWaalsContact O-CB 3.31Å; G101-K105 WeakPolarHBondContact O-CB 3.39Å; G101-K105 PolarHBondContact O-N 3.4Å
102Y97.3Very high93.3Very high30 Ų3050.8 Ų50.812%0.11825%0.25CS..Hα-helixtrans-62.3-49.9173.6178.4-95.1000111.3Q80 Y83 T98 I99 E100 K105 L106Q80-Y102 HydrophobicContact CG-CD1 3.71Å; Q80-Y102 HydrophobicContact CG-CD2 4.2Å; Q80-Y102 HydrophobicContact CG-CE1 3.6Å; Q80-Y102 HydrophobicContact CG-CE2 4.1Å; Q80-Y102 HydrophobicContact CG-CG 4Å; Y83-Y102 AromaticContact CD1-CD2 3.87Å; Y83-Y102 HydrophobicContact CD1-CD2 3.87Å; Y83-Y102 HydrophobicContact CD1-CG 4.31Å; Y83-Y102 AromaticContact CD2-CD2 3.86Å; Y83-Y102 HydrophobicContact CD2-CD2 3.86Å; Y83-Y102 HydrophobicContact CE1-CD2 4.44Å; Y83-Y102 HydrophobicContact CE2-CD2 4.45Å; Y83-Y102 AromaticContact CG-CD2 3.55Å; Y83-Y102 HydrophobicContact CG-CD2 3.55Å; Y83-Y102 HydrophobicContact CG-CE2 4.4Å; Y83-Y102 HydrophobicContact CG-CG 4.41Å; T98-Y102 PolarHBondContact O-N 3.11Å; T98-Y102 VanDerWaalsContact O-N 3.07Å; I99-Y102 WeakPolarHBondContact O-CB 3.18Å; I99-Y102 PolarHBondContact O-N 3.3Å; E100-Y102 VanDerWaalsContact C-N 3.3Å; E100-Y102 PolarHBondContact O-N 2.89Å; Y102-K105 PolarHBondContact O-N 3.23Å; Y102-L106 HydrophobicContact CD1-CD1 4.18Å; Y102-L106 HydrophobicContact CD2-CD1 4.14Å; Y102-L106 HydrophobicContact CE1-CD1 3.61Å; Y102-L106 HydrophobicContact CE2-CD1 3.58Å; Y102-L106 HydrophobicContact CG-CD1 4.43Å; Y102-L106 PolarHBondContact O-N 3.01Å; Y102-L106 WeakPolarHBondContact OH-CD1 3.37Å
103Y97Very high93.7Very high9 Ų949.8 Ų49.84%0.03524%0.235CC..Hα-helixtrans-60.4-50.3178.5-60.7-26.6000112.1Q80 I99 E100 K105 L106 S107 K139 E142 M143 Y146Q80-Y103 VanDerWaalsContact NE2-CE1 3.29Å; Q80-Y103 PolarHBondContact NE2-OH 3.45Å; I99-Y103 HydrophobicContact CG2-CD2 4.01Å; I99-Y103 HydrophobicContact CG2-CE1 4.2Å; I99-Y103 HydrophobicContact CG2-CE2 3.26Å; I99-Y103 WeakPolarHBondContact CG2-OH 3.41Å; I99-Y103 PolarHBondContact O-N 3.09Å; I99-Y103 VanDerWaalsContact O-N 3.11Å; E100-Y103 PolarHBondContact O-N 3.42Å; Y103-K105 PolarHBondContact O-N 3.01Å; Y103-L106 PolarHBondContact O-N 3.41Å; Y103-S107 WeakPolarHBondContact O-CB 3.49Å; Y103-S107 PolarHBondContact O-N 2.78Å; Y103-S107 PolarHBondContact O-OG 2.82Å; Y103-K139 VanDerWaalsContact OH-CD 3.25Å; Y103-K139 WeakPolarHBondContact OH-CD 3.32Å; Y103-E142 HydrophobicContact CE2-CB 3.83Å; Y103-E142 PolarHBondContact OH-OE2 3.19Å; Y103-M143 HydrophobicContact CD1-CB 3.66Å; Y103-M143 HydrophobicContact CD1-CG 3.46Å; Y103-M143 VanDerWaalsContact CD1-CG 3.46Å; Y103-M143 HydrophobicContact CD1-SD 3.65Å; Y103-M143 HydrophobicContact CE1-CB 3.79Å; Y103-M143 HydrophobicContact CE1-CG 4.09Å; Y103-M143 HydrophobicContact CE1-SD 4.18Å; Y103-M143 HydrophobicContact CG-CB 4.09Å; Y103-M143 HydrophobicContact CG-CG 3.86Å; Y103-Y146 HydrophobicContact CD2-CD2 4.28Å; Y103-Y146 AromaticContact CD2-CE2 3.68Å; Y103-Y146 HydrophobicContact CD2-CE2 3.68Å; Y103-Y146 HydrophobicContact CG-CD2 4.3Å; Y103-Y146 HydrophobicContact CG-CE2 4.08Å
104Q95.9Very high93.8Very high76 Ų7644.8 Ų44.836%0.35522%0.221SC..Hα-helixtrans-60.5-45.1-178.9-73176.4-2.900111.9E100 K108 Y146E100-Q104 HydrophobicContact CG-CG 4Å; E100-Q104 VanDerWaalsContact CG-NE2 3.28Å; E100-Q104 WeakPolarHBondContact O-CB 3.32Å; E100-Q104 VanDerWaalsContact O-CG 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.43Å; E100-Q104 PolarHBondContact O-N 3.29Å; E100-Q104 PolarHBondContact OE1-NE2 3.01Å; Q104-K108 WeakPolarHBondContact O-CB 3.3Å; Q104-K108 PolarHBondContact O-N 3.28Å; Q104-Y146 HydrophobicContact CG-CD1 4.13Å; Q104-Y146 HydrophobicContact CG-CE1 3.67Å
105K94.6Very high93.7Very high32 Ų3249.7 Ų49.714%0.13924%0.243CC..Hα-helixtrans-59.3-56179.9-178.1-177178174.40110.9Y83 Y94 G101 Y102 Y103 A109 D329Y83-K105 HydrophobicContact CE2-CD 3.8Å; Y94-K105 PolarHBondContact O-NZ 2.87Å; Y94-K105 PolarHBondContact OH-NZ 3.15Å; G101-K105 VanDerWaalsContact O-CB 3.31Å; G101-K105 WeakPolarHBondContact O-CB 3.39Å; G101-K105 PolarHBondContact O-N 3.4Å; Y102-K105 PolarHBondContact O-N 3.23Å; Y103-K105 PolarHBondContact O-N 3.01Å; K105-A109 PolarHBondContact O-N 3.49Å; K105-D329 WeakPolarHBondContact CE-O 3.37Å
106L95.1Very high93Very high18 Ų1850.2 Ų50.29%0.09424%0.241CC..Hα-helixtrans-69.6-46.5-174-64.6-176.8000112Y102 Y103 K108 A109 F110 M143 L330Y102-L106 HydrophobicContact CD1-CD1 4.18Å; Y102-L106 HydrophobicContact CD2-CD1 4.14Å; Y102-L106 HydrophobicContact CE1-CD1 3.61Å; Y102-L106 HydrophobicContact CE2-CD1 3.58Å; Y102-L106 HydrophobicContact CG-CD1 4.43Å; Y102-L106 PolarHBondContact O-N 3.01Å; Y102-L106 WeakPolarHBondContact OH-CD1 3.37Å; Y103-L106 PolarHBondContact O-N 3.41Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 3.39Å; L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 PolarHBondContact O-N 3.36Å; L106-M143 HydrophobicContact CB-CE 3.73Å; L106-M143 HydrophobicContact CD1-CE 4.44Å; L106-L330 HydrophobicContact CB-CD2 4.46Å; L106-L330 HydrophobicContact CD2-CD2 4.5Å; L106-L330 WeakPolarHBondContact CD2-O 3.45Å; L106-L330 VanDerWaalsContact O-CD2 3.25Å; L106-L330 WeakPolarHBondContact O-CD2 3.24Å
107S94.7Very high91.9Very high3 Ų346.2 Ų46.22%0.02123%0.234CC..Hα-helixtrans-67.2-35-178.4-65.10000112.7Y103 F110 V111 M143 Y146Y103-S107 WeakPolarHBondContact O-CB 3.49Å; Y103-S107 PolarHBondContact O-N 2.78Å; Y103-S107 PolarHBondContact O-OG 2.82Å; S107-F110 PolarHBondContact O-N 3.28Å; S107-V111 VanDerWaalsContact O-CB 3.3Å; S107-V111 WeakPolarHBondContact O-CB 3.48Å; S107-V111 WeakPolarHBondContact O-CG2 3.36Å; S107-V111 PolarHBondContact O-N 2.95Å; S107-M143 WeakPolarHBondContact OG-CE 3.39Å; S107-Y146 VanDerWaalsContact CB-CB 3.43Å; S107-Y146 VanDerWaalsContact OG-CB 3.27Å; S107-Y146 WeakPolarHBondContact OG-CB 3.26Å
108K93.9Very high90.3Very high151 Ų15150.6 Ų50.666%0.65726%0.264SS*.Hα-helixtrans-60.8-51.4174.9-178.3-175.2175.9-167.60110.6Q104 L106 F110 V111 E112Q104-K108 WeakPolarHBondContact O-CB 3.3Å; Q104-K108 PolarHBondContact O-N 3.28Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.25Å; K108-F110 PolarHBondContact O-N 3.31Å; K108-V111 PolarHBondContact O-N 3.11Å; K108-E112 WeakPolarHBondContact O-CG 3.33Å; K108-E112 PolarHBondContact O-N 3.09Å
109A93.2Very high88.6Confident2 Ų251.4 Ų51.42%0.01727%0.271CS..Hα-helixtrans-60.1-45178.400000111.9K105 L106 V111 E112 L113 N326 D329 L330K105-A109 PolarHBondContact O-N 3.49Å; L106-A109 PolarHBondContact O-N 3.39Å; A109-V111 PolarHBondContact O-N 3.46Å; A109-E112 PolarHBondContact O-N 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.37Å; A109-L113 PolarHBondContact O-N 3.25Å; A109-L113 VanDerWaalsContact O-N 3.1Å; A109-N326 HydrophobicContact CB-CB 4.46Å; A109-N326 WeakPolarHBondContact CB-O 3.36Å; A109-D329 HydrophobicContact CB-CB 3.83Å; A109-L330 HydrophobicContact CB-CD2 4.16Å; A109-L330 HydrophobicContact CB-CG 3.92Å
110F93.5Very high86.5Confident56 Ų5654.3 Ų54.325%0.24630%0.295CS..Hα-helixtrans-56.1-51.3174.9-179.6-107.7000112.3L106 S107 K108 E112 L113 T114 F147 L151 L330L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 PolarHBondContact O-N 3.36Å; S107-F110 PolarHBondContact O-N 3.28Å; K108-F110 PolarHBondContact O-N 3.31Å; F110-E112 VanDerWaalsContact C-N 3.34Å; F110-E112 PolarHBondContact O-N 2.99Å; F110-L113 WeakPolarHBondContact O-CB 3.37Å; F110-L113 PolarHBondContact O-N 2.96Å; F110-L113 VanDerWaalsContact O-N 3.16Å; F110-T114 HydrophobicContact CD1-CG2 4.22Å; F110-T114 HydrophobicContact CD2-CG2 4.43Å; F110-T114 HydrophobicContact CE1-CG2 3.75Å; F110-T114 HydrophobicContact CE2-CG2 3.97Å; F110-T114 HydrophobicContact CZ-CG2 3.6Å; F110-T114 WeakPolarHBondContact O-CG2 3.24Å; F110-T114 PolarHBondContact O-N 3.11Å; F110-F147 HydrophobicContact CD1-CB 3.88Å; F110-F147 HydrophobicContact CE1-CB 4.27Å; F110-L151 HydrophobicContact CE1-CB 3.72Å; F110-L151 HydrophobicContact CZ-CB 3.77Å; F110-L151 HydrophobicContact CZ-CD2 4.29Å; F110-L151 HydrophobicContact CZ-CG 4.48Å; F110-L330 HydrophobicContact CB-CD2 3.99Å
111V91.7Very high84.8Confident7 Ų750.9 Ų50.94%0.04229%0.287CS..Hα-helixtrans-64.3-41-175.8168.80000110.6S107 K108 A109 L113 T114 K115 F147 Q149S107-V111 VanDerWaalsContact O-CB 3.3Å; S107-V111 WeakPolarHBondContact O-CB 3.48Å; S107-V111 WeakPolarHBondContact O-CG2 3.36Å; S107-V111 PolarHBondContact O-N 2.95Å; K108-V111 PolarHBondContact O-N 3.11Å; A109-V111 PolarHBondContact O-N 3.46Å; V111-L113 VanDerWaalsContact C-N 3.31Å; V111-L113 PolarHBondContact O-N 3.38Å; V111-T114 WeakPolarHBondContact CA-OG1 3.35Å; V111-T114 PolarHBondContact O-N 3.07Å; V111-T114 PolarHBondContact O-OG1 3.1Å; V111-K115 WeakPolarHBondContact O-CG 3.44Å; V111-K115 PolarHBondContact O-N 2.71Å; V111-K115 VanDerWaalsContact O-N 3.08Å; V111-F147 HydrophobicContact CG2-CB 4.4Å; V111-Q149 HydrophobicContact CG1-CG 3.79Å; V111-Q149 HydrophobicContact CG2-CG 4.02Å
112E90.9Very high83.2Confident65 Ų6557.4 Ų57.430%0.30432%0.32SS..Hα-helixtrans-63.7-34.5175.7-70.2-53.2130.800113K108 A109 F110 K115 Q116K108-E112 WeakPolarHBondContact O-CG 3.33Å; K108-E112 PolarHBondContact O-N 3.09Å; A109-E112 PolarHBondContact O-N 3.29Å; F110-E112 VanDerWaalsContact C-N 3.34Å; F110-E112 PolarHBondContact O-N 2.99Å; E112-K115 IonicContact OE1-NZ 3.43Å; E112-K115 PolarHBondContact OE1-NZ 2.78Å; E112-K115 IonicContact OE2-NZ 3.14Å; E112-Q116 WeakPolarHBondContact O-CG 3.26Å; E112-Q116 PolarHBondContact O-NE2 3.36Å
113L89.5Confident81.6Confident21 Ų2162.9 Ų62.911%0.1135%0.347CS..Hα-helixtrans-67.4-44.1172.7-72.8162.4000111.9A109 F110 V111 K115 Q116 A117 M323 N326 I327 L330A109-L113 WeakPolarHBondContact O-CG 3.37Å; A109-L113 PolarHBondContact O-N 3.25Å; A109-L113 VanDerWaalsContact O-N 3.1Å; F110-L113 WeakPolarHBondContact O-CB 3.37Å; F110-L113 PolarHBondContact O-N 2.96Å; F110-L113 VanDerWaalsContact O-N 3.16Å; V111-L113 VanDerWaalsContact C-N 3.31Å; V111-L113 PolarHBondContact O-N 3.38Å; L113-K115 VanDerWaalsContact C-N 3.29Å; L113-K115 PolarHBondContact O-N 3.19Å; L113-Q116 PolarHBondContact O-N 3.25Å; L113-A117 PolarHBondContact O-N 3.35Å; L113-M323 HydrophobicContact CD2-CB 4.01Å; L113-M323 HydrophobicContact CD2-CG 4.23Å; L113-M323 WeakPolarHBondContact CD2-O 3.35Å; L113-N326 HydrophobicContact CD1-CB 4.01Å; L113-N326 HydrophobicContact CD2-CB 3.92Å; L113-N326 HydrophobicContact CG-CB 3.64Å; L113-I327 HydrophobicContact CD1-CG1 3.68Å; L113-I327 HydrophobicContact CD2-CG1 3.91Å; L113-I327 HydrophobicContact CG-CG1 4.47Å; L113-L330 HydrophobicContact CD1-CD1 3.3Å; L113-L330 HydrophobicContact CD1-CG 4.14Å
114T87.1Confident80.3Confident44 Ų4468.4 Ų68.427%0.2737%0.369SS..Hα-helixtrans-65.3-31.6-179.5620000113F110 V111 Q116 A117F110-T114 HydrophobicContact CD1-CG2 4.22Å; F110-T114 HydrophobicContact CD2-CG2 4.43Å; F110-T114 HydrophobicContact CE1-CG2 3.75Å; F110-T114 HydrophobicContact CE2-CG2 3.97Å; F110-T114 HydrophobicContact CZ-CG2 3.6Å; F110-T114 WeakPolarHBondContact O-CG2 3.24Å; F110-T114 PolarHBondContact O-N 3.11Å; V111-T114 WeakPolarHBondContact CA-OG1 3.35Å; V111-T114 PolarHBondContact O-N 3.07Å; V111-T114 PolarHBondContact O-OG1 3.1Å; T114-Q116 PolarHBondContact O-N 3.42Å; T114-A117 PolarHBondContact O-N 3.26Å
115K85Confident79.6Confident136 Ų13669.9 Ų69.959%0.59137%0.371SS*.Hα-helixtrans-63.5-27.3173-72.4172.6-176.4171.10112.9V111 E112 L113V111-K115 WeakPolarHBondContact O-CG 3.44Å; V111-K115 PolarHBondContact O-N 2.71Å; V111-K115 VanDerWaalsContact O-N 3.08Å; E112-K115 IonicContact OE1-NZ 3.43Å; E112-K115 PolarHBondContact OE1-NZ 2.78Å; E112-K115 IonicContact OE2-NZ 3.14Å; L113-K115 VanDerWaalsContact C-N 3.29Å; L113-K115 PolarHBondContact O-N 3.19Å
116Q76Confident79.4Confident29 Ų2970.2 Ų70.214%0.13638%0.377CS..Hα-helixtrans-91.6-14-176.5-67.3-175.264.100112.8E112 L113 T114 K319 M323E112-Q116 WeakPolarHBondContact O-CG 3.26Å; E112-Q116 PolarHBondContact O-NE2 3.36Å; L113-Q116 PolarHBondContact O-N 3.25Å; T114-Q116 PolarHBondContact O-N 3.42Å; Q116-K319 WeakPolarHBondContact O-CE 3.37Å; Q116-K319 PolarHBondContact O-NZ 2.75Å; Q116-K319 PolarHBondContact OE1-O 3.36Å; Q116-M323 HydrophobicContact CB-CG 4.21Å; Q116-M323 HydrophobicContact CB-SD 4.11Å
117A71.3Confident79.4Confident57 Ų5769.9 Ų69.947%0.47138%0.375SS..  trans-75138.3178.200000111.8L113 T114 C119L113-A117 PolarHBondContact O-N 3.35Å; T114-A117 PolarHBondContact O-N 3.26Å; A117-C119 VanDerWaalsContact C-N 3.25Å; A117-C119 PolarHBondContact O-N 2.91Å
118S63.3Low79.6Confident114 Ų11470.5 Ų70.580%0.79738%0.378SS*.  trans-79.8-3.7-179.6-49.90000113.7S120S118-S120 PolarHBondContact O-N 3.31Å
119C60.1Low79.8Confident82 Ų8263.4 Ų63.455%0.55435%0.347SS*.  trans-84.198.3-176.7-59.20000110.6A117 Y124A117-C119 VanDerWaalsContact C-N 3.25Å; A117-C119 PolarHBondContact O-N 2.91Å; C119-Y124 HydrophobicContact CB-CD2 4.44Å; C119-Y124 HydrophobicContact CB-CG 4.3Å
120S53.8Low80Confident106 Ų10663.3 Ų63.374%0.74135%0.346SS*.  trans-101114.517455.30000110.8S118S118-S120 PolarHBondContact O-N 3.31Å
121G60.7Low80.3Confident27 Ų2760.6 Ų60.628%0.27834%0.335SS..SBendtrans163.1144173.200000112.1E123 Y124G121-E123 PolarHBondContact O-N 3.01Å; G121-Y124 PolarHBondContact O-N 2.76Å
122D62.5Low80.6Confident141 Ų14160.3 Ų60.375%0.75433%0.332SS*.G310 helixtrans-61.6-28.1-178.7-75.8-18.2000112.6Y124 R125 S126D122-Y124 VanDerWaalsContact C-N 3.3Å; D122-Y124 PolarHBondContact O-N 2.89Å; D122-R125 PolarHBondContact O-N 2.84Å; D122-R125 VanDerWaalsContact O-N 3.14Å; D122-S126 PolarHBondContact O-N 2.83Å
123E64.8Low80.9Confident144 Ų14457.8 Ų57.867%0.67332%0.321SS*.G310 helixtrans-61-34.4176.365.8-175-179.600113.2G121 R125G121-E123 PolarHBondContact O-N 3.01Å; E123-R125 VanDerWaalsContact C-N 3.34Å
124Y68.9Low81.3Confident125 Ų12556.9 Ų56.949%0.4932%0.317SS..G310 helixtrans-85.1-9.8178.5-57.6-74.4000113.3C119 G121 D122 R190C119-Y124 HydrophobicContact CB-CD2 4.44Å; C119-Y124 HydrophobicContact CB-CG 4.3Å; G121-Y124 PolarHBondContact O-N 2.76Å; D122-Y124 VanDerWaalsContact C-N 3.3Å; D122-Y124 PolarHBondContact O-N 2.89Å; Y124-R190 PolarHBondContact O-NH1 2.95Å; Y124-R190 PolarHBondContact O-NH2 3.42Å
125R80.8Confident81.9Confident108 Ų10854.8 Ų54.841%0.40830%0.304SS..THydrogen-bonded Turntrans-102.2-10.7-178.1-66.4-177.3178.2-177.7-2.4113.1D122 E123 L151 S152D122-R125 PolarHBondContact O-N 2.84Å; D122-R125 VanDerWaalsContact O-N 3.14Å; E123-R125 VanDerWaalsContact C-N 3.34Å; R125-L151 CarbonylContact O-C 3.54Å; R125-L151 VanDerWaalsContact O-CD1 3.28Å; R125-L151 WeakPolarHBondContact O-CD1 3.42Å; R125-S152 PolarHBondContact O-N 2.76Å
126S91.3Very high82.5Confident39 Ų3948.5 Ų48.527%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-84.1141.1175-167.90000111.4D122 S152 R190D122-S126 PolarHBondContact O-N 2.83Å; S126-S152 CarbonylContact C-O 3.53Å; S126-S152 WeakPolarHBondContact CA-O 3.13Å; S126-R190 PolarHBondContact O-NH2 3.04Å
127L95.4Very high83.6Confident10 Ų1047.1 Ų47.15%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-143.3124.1171.1177.365.7000109.1V129 L151 S152 V153 Q154 R190 C192 Y203L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.77Å; L127-L151 HydrophobicContact CB-CD1 4.06Å; L127-L151 HydrophobicContact CB-CD2 4.47Å; L127-L151 HydrophobicContact CB-CG 4.47Å; L127-L151 HydrophobicContact CD2-CD2 4.1Å; L127-S152 PolarHBondContact N-O 2.99Å; L127-V153 CarbonylContact O-C 3.6Å; L127-V153 WeakPolarHBondContact O-CA 3.3Å; L127-Q154 PolarHBondContact O-N 2.91Å; L127-R190 HydrophobicContact CD1-CB 4.44Å; L127-R190 HydrophobicContact CD1-CG 3.83Å; L127-C192 HydrophobicContact CD1-CB 4.5Å; L127-Y203 HydrophobicContact CD1-CD1 4.46Å; L127-Y203 HydrophobicContact CD1-CE1 3.78Å
128K97.4Very high84.8Confident17 Ų1747.1 Ų47.17%0.07426%0.263CS..EExtended strand (participates in β ladder)trans-90.7126.4169.2-59.5-176167.4173.60109.4Q154 F156 M183 E184 E189 R190 C191 C192K128-Q154 WeakPolarHBondContact CA-O 3.27Å; K128-Q154 HydrophobicContact CG-CB 4.26Å; K128-F156 HydrophobicContact CB-CD2 4.26Å; K128-F156 HydrophobicContact CB-CE2 3.91Å; K128-F156 HydrophobicContact CD-CE2 3.98Å; K128-F156 HydrophobicContact CD-CZ 4.32Å; K128-F156 HydrophobicContact CG-CE2 3.97Å; K128-M183 HydrophobicContact CB-CE 3.13Å; K128-M183 HydrophobicContact CD-CE 4.13Å; K128-M183 HydrophobicContact CG-CE 4.27Å; K128-E184 PolarHBondContact NZ-O 3.15Å; K128-E189 WeakPolarHBondContact CE-OE2 3.42Å; K128-E189 VanDerWaalsContact NZ-CD 3.31Å; K128-E189 IonicContact NZ-OE1 3.77Å; K128-E189 PolarHBondContact NZ-OE1 2.88Å; K128-E189 IonicContact NZ-OE2 2.75Å; K128-E189 PolarHBondContact NZ-OE2 2.83Å; K128-R190 PolarHBondContact N-O 2.82Å; K128-C191 VanDerWaalsContact O-CA 3.29Å; K128-C191 WeakPolarHBondContact O-CA 3.35Å; K128-C192 PolarHBondContact O-N 3.36Å
129V98.3Very high86.5Confident1 Ų142.5 Ų42.51%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-118.2116.8-173.7-171.30000109.4L127 L140 V153 Q154 L155 F156 C192 F194L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.77Å; V129-L140 HydrophobicContact CB-CD2 4.25Å; V129-L140 HydrophobicContact CG1-CD2 3.99Å; V129-L140 HydrophobicContact CG2-CD2 4.05Å; V129-V153 HydrophobicContact CG2-CB 4.44Å; V129-V153 HydrophobicContact CG2-CG1 4.36Å; V129-Q154 PolarHBondContact N-O 2.84Å; V129-L155 HydrophobicContact CB-CD2 4.14Å; V129-F156 PolarHBondContact O-N 3.39Å; V129-C192 WeakPolarHBondContact CA-O 3.39Å; V129-F194 HydrophobicContact CG1-CD2 4Å; V129-F194 HydrophobicContact CG1-CE2 3.83Å; V129-F194 HydrophobicContact CG1-CZ 4.34Å
130D98.6Very high88.2Confident0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-82.7109.7165.5163.437000109.4A132 N157 G169 P180 M183 C192 S193 F194D130-A132 VanDerWaalsContact C-N 3.29Å; D130-A132 PolarHBondContact O-N 3.44Å; D130-A132 PolarHBondContact OD1-N 3.38Å; D130-N157 VanDerWaalsContact OD1-CB 3.23Å; D130-N157 WeakPolarHBondContact OD1-CB 3.42Å; D130-N157 PolarHBondContact OD1-ND2 3.41Å; D130-G169 WeakPolarHBondContact OD2-CA 3.46Å; D130-G169 PolarHBondContact OD2-N 2.94Å; D130-P180 HydrophobicContact CB-CB 4.34Å; D130-P180 HydrophobicContact CB-CG 3.74Å; D130-P180 WeakPolarHBondContact OD2-CB 3.43Å; D130-P180 WeakPolarHBondContact OD2-CG 3.23Å; D130-M183 HydrophobicContact CB-SD 4.23Å; D130-C192 PolarHBondContact N-O 3.12Å; D130-S193 WeakPolarHBondContact CB-OG 3.42Å; D130-S193 CarbonylContact O-C 3.55Å; D130-S193 WeakPolarHBondContact O-CA 3.4Å; D130-S193 WeakPolarHBondContact OD2-CB 3.4Å; D130-S193 PolarHBondContact OD2-OG 3.1Å; D130-F194 PolarHBondContact O-N 3.25Å
131C98.4Very high90.3Very high0 Ų040 Ų400%019%0.193CC..  trans-91.414.2-174.9-58.50000113.5N133 G134 A137 F156 N157C131-N133 PolarHBondContact O-N 3.47Å; C131-G134 PolarHBondContact O-N 2.66Å; C131-A137 HydrophobicContact CB-CB 3.48Å; C131-A137 VanDerWaalsContact CB-CB 3.48Å; C131-F156 PolarHBondContact N-O 3.27Å; C131-N157 CarbonylContact C-O 3.58Å
132A98.2Very high92Very high0 Ų042.3 Ų42.30%020%0.197CC..THydrogen-bonded Turntrans56.119.2174.700000116D130 G134 L164 N165 F194D130-A132 VanDerWaalsContact C-N 3.29Å; D130-A132 PolarHBondContact O-N 3.44Å; D130-A132 PolarHBondContact OD1-N 3.38Å; A132-G134 PolarHBondContact O-N 2.96Å; A132-L164 WeakPolarHBondContact O-CA 3.39Å; A132-N165 WeakPolarHBondContact CB-OD1 3.33Å; A132-N165 PolarHBondContact O-N 2.97Å; A132-F194 WeakPolarHBondContact CB-O 3.48Å
133N98.3Very high93.6Very high12 Ų1236.9 Ų36.96%0.06417%0.167CC..THydrogen-bonded Turntrans5527.4-168.3-58.5-66.4000113.2C131 N157 G159 K163 C168C131-N133 PolarHBondContact O-N 3.47Å; N133-N157 WeakPolarHBondContact CA-O 3.28Å; N133-N157 PolarHBondContact N-O 3.19Å; N133-N157 VanDerWaalsContact OD1-CA 3.27Å; N133-N157 WeakPolarHBondContact OD1-CA 3.28Å; N133-N157 PolarHBondContact OD1-O 2.93Å; N133-G159 PolarHBondContact OD1-N 3.45Å; N133-G159 VanDerWaalsContact OD1-N 3.09Å; N133-K163 PolarHBondContact ND2-O 3.4Å; N133-K163 VanDerWaalsContact ND2-O 3.1Å; N133-C168 PolarHBondContact ND2-SG 3.26Å
134G97.9Very high95Very high3 Ų333.4 Ų33.43%0.03115%0.151CC..SBendtrans-105.6-175.4-17500000114.5C131 A132 G136 A137 L164 G196C131-G134 PolarHBondContact O-N 2.66Å; A132-G134 PolarHBondContact O-N 2.96Å; G134-G136 PolarHBondContact O-N 3.11Å; G134-A137 WeakPolarHBondContact O-CB 3.38Å; G134-A137 PolarHBondContact O-N 2.94Å; G134-L164 VanDerWaalsContact CA-CD1 3.4Å; G134-G196 VanDerWaalsContact CA-O 3.27Å; G134-G196 WeakPolarHBondContact CA-O 3.27Å
135I98.4Very high96.3Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-63.5-27.1-176.4-17554.3000112.6D47 T48 L75 L76 T77 A137 L138 K139 G196D47-I135 HydrophobicContact CB-CG2 4.34Å; T48-I135 HydrophobicContact CG2-CB 4.05Å; T48-I135 HydrophobicContact CG2-CD1 3.92Å; L75-I135 HydrophobicContact CB-CD1 3.78Å; L75-I135 HydrophobicContact CD2-CD1 4.34Å; L75-I135 HydrophobicContact CG-CD1 4.47Å; L76-I135 WeakPolarHBondContact O-CG1 3.32Å; T77-I135 HydrophobicContact CG2-CG2 4.17Å; I135-A137 PolarHBondContact O-N 3.37Å; I135-L138 HydrophobicContact CD1-CB 4.26Å; I135-L138 HydrophobicContact CD1-CD1 3.95Å; I135-L138 PolarHBondContact O-N 3.15Å; I135-L138 VanDerWaalsContact O-N 3.16Å; I135-K139 HydrophobicContact CD1-CG 4.2Å; I135-K139 HydrophobicContact CG1-CG 4.11Å; I135-K139 PolarHBondContact O-N 3.13Å; I135-G196 PolarHBondContact N-O 2.61Å; I135-G196 VanDerWaalsContact N-O 3.08Å
136G98.3Very high97Very high3 Ų330.5 Ų30.53%0.03114%0.144CC..Hα-helixtrans-55.4-32.417600000113.6G134 K139 L140G134-G136 PolarHBondContact O-N 3.11Å; G136-K139 PolarHBondContact O-N 3.27Å; G136-L140 WeakPolarHBondContact O-CB 3.08Å; G136-L140 PolarHBondContact O-N 3.05Å
137A98Very high97.1Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-62.4-47.6177.400000112.4C131 G134 I135 R141 D158C131-A137 HydrophobicContact CB-CB 3.48Å; C131-A137 VanDerWaalsContact CB-CB 3.48Å; G134-A137 WeakPolarHBondContact O-CB 3.38Å; G134-A137 PolarHBondContact O-N 2.94Å; I135-A137 PolarHBondContact O-N 3.37Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.46Å; A137-R141 VanDerWaalsContact O-N 3.15Å; A137-D158 HydrophobicContact CB-CB 4Å; A137-D158 WeakPolarHBondContact CB-O 3.29Å
138L97.9Very high96.7Very high58 Ų5831.9 Ų31.930%0.30415%0.153SC..Hα-helixtrans-64.9-45.5-179-59.2-179.2000110.1T48 L75 I135 R141 E142T48-L138 HydrophobicContact CG2-CD1 3.99Å; L75-L138 HydrophobicContact CD1-CD1 4.22Å; I135-L138 HydrophobicContact CD1-CB 4.26Å; I135-L138 HydrophobicContact CD1-CD1 3.95Å; I135-L138 PolarHBondContact O-N 3.15Å; I135-L138 VanDerWaalsContact O-N 3.16Å; L138-R141 PolarHBondContact O-N 3.09Å; L138-E142 WeakPolarHBondContact O-CG 3.5Å; L138-E142 PolarHBondContact O-N 2.72Å
139K98Very high96.1Very high16 Ų1636.1 Ų36.17%0.0717%0.174CC..Hα-helixtrans-72.4-37.1-176.2-59.1-58.5175-164.50113.4L75 T77 Y103 I135 G136 E142 M143L75-K139 WeakPolarHBondContact O-CE 3.44Å; L75-K139 PolarHBondContact O-NZ 3.25Å; T77-K139 HydrophobicContact CG2-CB 3.98Å; T77-K139 HydrophobicContact CG2-CG 3.84Å; Y103-K139 VanDerWaalsContact OH-CD 3.25Å; Y103-K139 WeakPolarHBondContact OH-CD 3.32Å; I135-K139 HydrophobicContact CD1-CG 4.2Å; I135-K139 HydrophobicContact CG1-CG 4.11Å; I135-K139 PolarHBondContact O-N 3.13Å; G136-K139 PolarHBondContact O-N 3.27Å; K139-E142 WeakPolarHBondContact CD-OE2 2.85Å; K139-E142 IonicContact NZ-OE1 2.62Å; K139-E142 PolarHBondContact NZ-OE1 3.2Å; K139-E142 IonicContact NZ-OE2 2.79Å; K139-E142 PolarHBondContact NZ-OE2 3.02Å; K139-E142 VanDerWaalsContact NZ-OE2 3.12Å; K139-E142 PolarHBondContact O-N 3.14Å; K139-M143 VanDerWaalsContact O-CB 3.27Å; K139-M143 WeakPolarHBondContact O-CB 3.47Å; K139-M143 PolarHBondContact O-N 3.11Å
140L97Very high95.5Very high25 Ų2536.4 Ų36.413%0.13118%0.177CC..Hα-helixtrans-67.7-37.8174.8-171.557.5000111.6V129 G136 M143 E144 F147 L155 F194V129-L140 HydrophobicContact CB-CD2 4.25Å; V129-L140 HydrophobicContact CG1-CD2 3.99Å; V129-L140 HydrophobicContact CG2-CD2 4.05Å; G136-L140 WeakPolarHBondContact O-CB 3.08Å; G136-L140 PolarHBondContact O-N 3.05Å; L140-M143 PolarHBondContact O-N 3.15Å; L140-E144 PolarHBondContact O-N 3.47Å; L140-F147 HydrophobicContact CD1-CE1 3.89Å; L140-F147 HydrophobicContact CD1-CZ 3.63Å; L140-L155 HydrophobicContact CB-CD2 4.43Å; L140-L155 HydrophobicContact CD2-CD2 3.46Å; L140-L155 VanDerWaalsContact CD2-CD2 3.46Å; L140-L155 HydrophobicContact CG-CD2 3.96Å; L140-F194 HydrophobicContact CD2-CE2 3.96Å; L140-F194 HydrophobicContact CD2-CZ 4.47Å
141R97Very high95.1Very high111 Ų11137.8 Ų37.842%0.41918%0.184SC..Hα-helixtrans-63.6-43.9173.4-174.8-178-65.4145.4-1.1112.3A137 L138 M143 L155 D158A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.46Å; A137-R141 VanDerWaalsContact O-N 3.15Å; L138-R141 PolarHBondContact O-N 3.09Å; R141-M143 VanDerWaalsContact C-N 3.28Å; R141-M143 PolarHBondContact O-N 3.21Å; R141-L155 HydrophobicContact CB-CD1 3.93Å; R141-D158 IonicContact CZ-OD2 3.25Å; R141-D158 IonicContact NH2-OD2 2.68Å; R141-D158 PolarHBondContact NH2-OD2 3.12Å
142E96.9Very high94.9Very high76 Ų7640.8 Ų40.836%0.35521%0.205SC..Hα-helixtrans-59.5-40.5173.7-72.7170-153.200111.3Y103 L138 K139 H145Y103-E142 HydrophobicContact CE2-CB 3.83Å; Y103-E142 PolarHBondContact OH-OE2 3.19Å; L138-E142 WeakPolarHBondContact O-CG 3.5Å; L138-E142 PolarHBondContact O-N 2.72Å; K139-E142 WeakPolarHBondContact CD-OE2 2.85Å; K139-E142 IonicContact NZ-OE1 2.62Å; K139-E142 PolarHBondContact NZ-OE1 3.2Å; K139-E142 IonicContact NZ-OE2 2.79Å; K139-E142 PolarHBondContact NZ-OE2 3.02Å; K139-E142 VanDerWaalsContact NZ-OE2 3.12Å; K139-E142 PolarHBondContact O-N 3.14Å; E142-H145 PolarHBondContact O-CE1 2.76Å; E142-H145 PolarHBondContact O-ND1 2.95Å
143M96Very high94.7Very high26 Ų2641.3 Ų41.313%0.12821%0.208CC..Hα-helixtrans-79.8-17.4-174.8-167.7177172.300114.3Y103 L106 S107 K139 L140 R141 H145 Y146 F147Y103-M143 HydrophobicContact CD1-CB 3.66Å; Y103-M143 HydrophobicContact CD1-CG 3.46Å; Y103-M143 VanDerWaalsContact CD1-CG 3.46Å; Y103-M143 HydrophobicContact CD1-SD 3.65Å; Y103-M143 HydrophobicContact CE1-CB 3.79Å; Y103-M143 HydrophobicContact CE1-CG 4.09Å; Y103-M143 HydrophobicContact CE1-SD 4.18Å; Y103-M143 HydrophobicContact CG-CB 4.09Å; Y103-M143 HydrophobicContact CG-CG 3.86Å; L106-M143 HydrophobicContact CB-CE 3.73Å; L106-M143 HydrophobicContact CD1-CE 4.44Å; S107-M143 WeakPolarHBondContact OG-CE 3.39Å; K139-M143 VanDerWaalsContact O-CB 3.27Å; K139-M143 WeakPolarHBondContact O-CB 3.47Å; K139-M143 PolarHBondContact O-N 3.11Å; L140-M143 PolarHBondContact O-N 3.15Å; R141-M143 VanDerWaalsContact C-N 3.28Å; R141-M143 PolarHBondContact O-N 3.21Å; M143-H145 VanDerWaalsContact C-N 3.31Å; M143-H145 PolarHBondContact O-N 3.41Å; M143-H145 VanDerWaalsContact O-N 3.15Å; M143-Y146 WeakPolarHBondContact O-CB 3.35Å; M143-Y146 WeakPolarHBondContact O-CD2 3.45Å; M143-Y146 PolarHBondContact O-N 3.19Å; M143-F147 HydrophobicContact CB-CE1 3.99Å; M143-F147 HydrophobicContact CE-CD1 4.39Å; M143-F147 HydrophobicContact CG-CD1 3.9Å; M143-F147 HydrophobicContact CG-CE1 3.75Å; M143-F147 VanDerWaalsContact O-CD1 3.27Å; M143-F147 WeakPolarHBondContact O-CD1 3.39Å; M143-F147 WeakPolarHBondContact O-CE1 3.48Å; M143-F147 HydrophobicContact SD-CE1 4.37Å
144E95.1Very high94.6Very high71 Ų7144.5 Ų44.533%0.33222%0.223SC..Hα-helixtrans-51.9-43.4-169.2-173.5175.8-172.400114L140 Y146 F147 S148 V153L140-E144 PolarHBondContact O-N 3.47Å; E144-Y146 PolarHBondContact O-N 3.25Å; E144-F147 HydrophobicContact CB-CZ 4.35Å; E144-F147 PolarHBondContact O-N 3.38Å; E144-S148 WeakPolarHBondContact O-CB 3.49Å; E144-S148 PolarHBondContact O-N 3.37Å; E144-V153 HydrophobicContact CG-CG2 4.05Å
145H95.1Very high94.6Very high124 Ų12446.3 Ų46.357%0.57423%0.231SC*.Hα-helixtrans-68.5-15-177.365.9-88.7000114.2E142 M143E142-H145 PolarHBondContact O-CE1 2.76Å; E142-H145 PolarHBondContact O-ND1 2.95Å; M143-H145 VanDerWaalsContact C-N 3.31Å; M143-H145 PolarHBondContact O-N 3.41Å; M143-H145 VanDerWaalsContact O-N 3.15Å
146Y95.6Very high94.5Very high48 Ų4848.7 Ų48.719%0.18824%0.242CC..Hα-helixtrans-80.9-23.2176.5-66.7-90000112.9E100 Y103 Q104 S107 M143 E144 Q149E100-Y146 WeakPolarHBondContact CG-OH 3.25Å; E100-Y146 PolarHBondContact OE1-OH 3.35Å; Y103-Y146 HydrophobicContact CD2-CD2 4.28Å; Y103-Y146 AromaticContact CD2-CE2 3.68Å; Y103-Y146 HydrophobicContact CD2-CE2 3.68Å; Y103-Y146 HydrophobicContact CG-CD2 4.3Å; Y103-Y146 HydrophobicContact CG-CE2 4.08Å; Q104-Y146 HydrophobicContact CG-CD1 4.13Å; Q104-Y146 HydrophobicContact CG-CE1 3.67Å; S107-Y146 VanDerWaalsContact CB-CB 3.43Å; S107-Y146 VanDerWaalsContact OG-CB 3.27Å; S107-Y146 WeakPolarHBondContact OG-CB 3.26Å; M143-Y146 WeakPolarHBondContact O-CB 3.35Å; M143-Y146 WeakPolarHBondContact O-CD2 3.45Å; M143-Y146 PolarHBondContact O-N 3.19Å; E144-Y146 PolarHBondContact O-N 3.25Å; Y146-Q149 PolarHBondContact O-NE2 3.47Å
147F93.1Very high94.5Very high11 Ų1150 Ų505%0.04825%0.248CC..Hα-helixtrans-125.71.5-174.163.9-104000115.1F110 V111 L140 M143 E144 Q149 G150 L151 V153F110-F147 HydrophobicContact CD1-CB 3.88Å; F110-F147 HydrophobicContact CE1-CB 4.27Å; V111-F147 HydrophobicContact CG2-CB 4.4Å; L140-F147 HydrophobicContact CD1-CE1 3.89Å; L140-F147 HydrophobicContact CD1-CZ 3.63Å; M143-F147 HydrophobicContact CB-CE1 3.99Å; M143-F147 HydrophobicContact CE-CD1 4.39Å; M143-F147 HydrophobicContact CG-CD1 3.9Å; M143-F147 HydrophobicContact CG-CE1 3.75Å; M143-F147 VanDerWaalsContact O-CD1 3.27Å; M143-F147 WeakPolarHBondContact O-CD1 3.39Å; M143-F147 WeakPolarHBondContact O-CE1 3.48Å; M143-F147 HydrophobicContact SD-CE1 4.37Å; E144-F147 HydrophobicContact CB-CZ 4.35Å; E144-F147 PolarHBondContact O-N 3.38Å; F147-Q149 PolarHBondContact O-N 2.91Å; F147-G150 PolarHBondContact O-N 3.25Å; F147-L151 HydrophobicContact CD2-CB 4.07Å; F147-L151 HydrophobicContact CE2-CB 4.44Å; F147-L151 HydrophobicContact CE2-CD2 4.38Å; F147-L151 PolarHBondContact O-N 3.33Å; F147-L151 VanDerWaalsContact O-N 3.16Å; F147-V153 HydrophobicContact CE2-CG1 3.88Å; F147-V153 HydrophobicContact CE2-CG2 4.07Å; F147-V153 HydrophobicContact CZ-CG1 4.24Å; F147-V153 HydrophobicContact CZ-CG2 4.1Å
148S87.9Confident94.4Very high67 Ų6751.8 Ų51.847%0.46926%0.258SS..THydrogen-bonded Turntrans-56.6-25.2-174.560.70000114.7E144 G150E144-S148 WeakPolarHBondContact O-CB 3.49Å; E144-S148 PolarHBondContact O-N 3.37Å; S148-G150 VanDerWaalsContact C-N 3.26Å; S148-G150 PolarHBondContact O-N 3.5Å
149Q84.9Confident94.3Very high107 Ų10751 Ų5150%0.526%0.263SS..THydrogen-bonded Turntrans-65.7-24.8171.959.6-913.200114.5V111 Y146 F147V111-Q149 HydrophobicContact CG1-CG 3.79Å; V111-Q149 HydrophobicContact CG2-CG 4.02Å; Y146-Q149 PolarHBondContact O-NE2 3.47Å; F147-Q149 PolarHBondContact O-N 2.91Å
150G84.8Confident94.1Very high7 Ų754.3 Ų54.37%0.07229%0.289CS..THydrogen-bonded Turntrans-105.9-28.9-175.700000114F147 S148F147-G150 PolarHBondContact O-N 3.25Å; S148-G150 VanDerWaalsContact C-N 3.26Å; S148-G150 PolarHBondContact O-N 3.5Å
151L91.2Very high93.7Very high28 Ų2862.8 Ų62.815%0.14733%0.325CS..  trans-149.1132.9-176.2-172.276.6000111.3F110 R125 L127 F147 V153F110-L151 HydrophobicContact CE1-CB 3.72Å; F110-L151 HydrophobicContact CZ-CB 3.77Å; F110-L151 HydrophobicContact CZ-CD2 4.29Å; F110-L151 HydrophobicContact CZ-CG 4.48Å; R125-L151 CarbonylContact O-C 3.54Å; R125-L151 VanDerWaalsContact O-CD1 3.28Å; R125-L151 WeakPolarHBondContact O-CD1 3.42Å; L127-L151 HydrophobicContact CB-CD1 4.06Å; L127-L151 HydrophobicContact CB-CD2 4.47Å; L127-L151 HydrophobicContact CB-CG 4.47Å; L127-L151 HydrophobicContact CD2-CD2 4.1Å; F147-L151 HydrophobicContact CD2-CB 4.07Å; F147-L151 HydrophobicContact CE2-CB 4.44Å; F147-L151 HydrophobicContact CE2-CD2 4.38Å; F147-L151 PolarHBondContact O-N 3.33Å; F147-L151 VanDerWaalsContact O-N 3.16Å; L151-V153 HydrophobicContact CD2-CG1 3.64Å; L151-V153 HydrophobicContact CG-CG1 4.02Å
152S92.5Very high93.5Very high63 Ų6359.2 Ų59.244%0.44132%0.322SS..EExtended strand (participates in β ladder)trans-99.9120.3169.1179.40000109.1R125 S126 L127R125-S152 PolarHBondContact O-N 2.76Å; S126-S152 CarbonylContact C-O 3.53Å; S126-S152 WeakPolarHBondContact CA-O 3.13Å; L127-S152 PolarHBondContact N-O 2.99Å
153V94.9Very high93.5Very high11 Ų1163.1 Ų63.17%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-107.7138-178.4-67.50000110.8L127 V129 E144 F147 L151 L155L127-V153 CarbonylContact O-C 3.6Å; L127-V153 WeakPolarHBondContact O-CA 3.3Å; V129-V153 HydrophobicContact CG2-CB 4.44Å; V129-V153 HydrophobicContact CG2-CG1 4.36Å; E144-V153 HydrophobicContact CG-CG2 4.05Å; F147-V153 HydrophobicContact CE2-CG1 3.88Å; F147-V153 HydrophobicContact CE2-CG2 4.07Å; F147-V153 HydrophobicContact CZ-CG1 4.24Å; F147-V153 HydrophobicContact CZ-CG2 4.1Å; L151-V153 HydrophobicContact CD2-CG1 3.64Å; L151-V153 HydrophobicContact CG-CG1 4.02Å; V153-L155 HydrophobicContact CB-CD2 4.35Å; V153-L155 HydrophobicContact CG2-CD2 4.28Å
154Q95.9Very high93.5Very high80 Ų8064.2 Ų64.237%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-115112.4171.8-63.5176.532.200108.3L127 K128 V129 F156L127-Q154 PolarHBondContact O-N 2.91Å; K128-Q154 WeakPolarHBondContact CA-O 3.27Å; K128-Q154 HydrophobicContact CG-CB 4.26Å; V129-Q154 PolarHBondContact N-O 2.84Å; Q154-F156 HydrophobicContact CB-CE2 3.84Å; Q154-F156 WeakPolarHBondContact O-CD2 3.32Å
155L97.2Very high93.6Very high40 Ų4064 Ų6421%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-86.8129.2-175.5-51.7-174.7000111V129 L140 R141 V153V129-L155 HydrophobicContact CB-CD2 4.14Å; L140-L155 HydrophobicContact CB-CD2 4.43Å; L140-L155 HydrophobicContact CD2-CD2 3.46Å; L140-L155 VanDerWaalsContact CD2-CD2 3.46Å; L140-L155 HydrophobicContact CG-CD2 3.96Å; R141-L155 HydrophobicContact CB-CD1 3.93Å; V153-L155 HydrophobicContact CB-CD2 4.35Å; V153-L155 HydrophobicContact CG2-CD2 4.28Å
156F97.8Very high93.7Very high51 Ų5163.1 Ų63.122%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-122157.2173-66.2-94.4000109.3K128 V129 C131 Q154 D158 M183K128-F156 HydrophobicContact CB-CD2 4.26Å; K128-F156 HydrophobicContact CB-CE2 3.91Å; K128-F156 HydrophobicContact CD-CE2 3.98Å; K128-F156 HydrophobicContact CD-CZ 4.32Å; K128-F156 HydrophobicContact CG-CE2 3.97Å; V129-F156 PolarHBondContact O-N 3.39Å; C131-F156 PolarHBondContact N-O 3.27Å; Q154-F156 HydrophobicContact CB-CE2 3.84Å; Q154-F156 WeakPolarHBondContact O-CD2 3.32Å; F156-D158 PolarHBondContact O-N 3Å; F156-M183 HydrophobicContact CB-CG 4.35Å; F156-M183 HydrophobicContact CD1-CB 4.28Å; F156-M183 HydrophobicContact CD1-CG 4.11Å; F156-M183 HydrophobicContact CD2-CE 4.14Å; F156-M183 HydrophobicContact CD2-CG 4.11Å; F156-M183 HydrophobicContact CE1-CG 4.46Å; F156-M183 HydrophobicContact CE2-CG 4.48Å; F156-M183 HydrophobicContact CG-CB 4.35Å; F156-M183 HydrophobicContact CG-CG 3.92Å
157N97.9Very high93.8Very high30 Ų3064.1 Ų64.116%0.1635%0.349CS..SBendtrans47.960-177.1-61.9-44.6000110.6D130 C131 N133 G159 C168 Q181D130-N157 VanDerWaalsContact OD1-CB 3.23Å; D130-N157 WeakPolarHBondContact OD1-CB 3.42Å; D130-N157 PolarHBondContact OD1-ND2 3.41Å; C131-N157 CarbonylContact C-O 3.58Å; N133-N157 WeakPolarHBondContact CA-O 3.28Å; N133-N157 PolarHBondContact N-O 3.19Å; N133-N157 VanDerWaalsContact OD1-CA 3.27Å; N133-N157 WeakPolarHBondContact OD1-CA 3.28Å; N133-N157 PolarHBondContact OD1-O 2.93Å; N157-G159 VanDerWaalsContact C-N 3.34Å; N157-C168 HydrophobicContact CB-CB 4.38Å; N157-C168 WeakPolarHBondContact ND2-CB 3.31Å; N157-Q181 PolarHBondContact ND2-O 3.48Å; N157-Q181 PolarHBondContact OD1-O 3.4Å
158D96.7Very high94Very high37 Ų3763.7 Ų63.720%0.19835%0.348CS..  trans-926.2-168.875.4-25.6000114A137 R141 F156 S160A137-D158 HydrophobicContact CB-CB 4Å; A137-D158 WeakPolarHBondContact CB-O 3.29Å; R141-D158 IonicContact CZ-OD2 3.25Å; R141-D158 IonicContact NH2-OD2 2.68Å; R141-D158 PolarHBondContact NH2-OD2 3.12Å; F156-D158 PolarHBondContact O-N 3Å; D158-S160 WeakPolarHBondContact OD1-CB 3.49Å; D158-S160 PolarHBondContact OD1-N 2.62Å; D158-S160 PolarHBondContact OD1-OG 2.98Å
159G94.8Very high94.5Very high41 Ų4160.5 Ų60.542%0.42333%0.326SS..SBendtrans87.7-1.1-177.300000114.8N133 N157N133-G159 PolarHBondContact OD1-N 3.45Å; N133-G159 VanDerWaalsContact OD1-N 3.09Å; N157-G159 VanDerWaalsContact C-N 3.34Å
160S93.8Very high95.1Very high86 Ų8655.4 Ų55.460%0.60130%0.302SS*.SBendtrans-72.9-34.3-178.661.70000114.4D158D158-S160 WeakPolarHBondContact OD1-CB 3.49Å; D158-S160 PolarHBondContact OD1-N 2.62Å; D158-S160 PolarHBondContact OD1-OG 2.98Å
161K89.8Confident95.4Very high204 Ų20458.2 Ų58.289%0.88732%0.315SS*.SBendtrans-135.4-18.5-176.8-63.1-179.9-176.61750114
162G91.9Very high95.6Very high36 Ų3657.8 Ų57.837%0.37131%0.312SS..SBendtrans-94.2168-174.700000113.6
163K96.3Very high95.9Very high157 Ų15754.8 Ų54.868%0.68329%0.291SS*.PPolyproline II helixtrans-97.4143.6173.3-67.5179.4-178.6178.60109.8N133 N165 H166N133-K163 PolarHBondContact ND2-O 3.4Å; N133-K163 VanDerWaalsContact ND2-O 3.1Å; K163-N165 PolarHBondContact O-N 2.83Å; K163-H166 HydrophobicContact CB-CB 3.66Å; K163-H166 WeakPolarHBondContact O-CB 3.38Å; K163-H166 PolarHBondContact O-N 3.42Å; K163-H166 VanDerWaalsContact O-N 3.1Å
164L97.4Very high95.7Very high49 Ų4956.7 Ų56.726%0.25730%0.299SS..THydrogen-bonded Turntrans-49.5125.5176.9-174.266.3000111R49 A132 G134 H166R49-L164 HydrophobicContact CG-CD2 3.8Å; A132-L164 WeakPolarHBondContact O-CA 3.39Å; G134-L164 VanDerWaalsContact CA-CD1 3.4Å; L164-H166 PolarHBondContact O-N 3.22Å
165N95.4Very high95.1Very high66 Ų6657.4 Ų57.435%0.35331%0.312SS..THydrogen-bonded Turntrans54.217.9179.2-59.1-29.5000115.4A132 K163 L167 C168 G196A132-N165 WeakPolarHBondContact CB-OD1 3.33Å; A132-N165 PolarHBondContact O-N 2.97Å; K163-N165 PolarHBondContact O-N 2.83Å; N165-L167 PolarHBondContact O-N 2.95Å; N165-C168 CarbonylContact C-O 3.58Å; N165-G196 WeakPolarHBondContact OD1-CA 3.35Å; N165-G196 PolarHBondContact OD1-N 3.08Å; N165-G196 VanDerWaalsContact OD1-N 3.15Å
166H97.6Very high94.9Very high106 Ų10660.5 Ų60.549%0.49133%0.326SS..SBendtrans-88.5106.1-176.4-174.766.5000111.4K163 L164 C168K163-H166 HydrophobicContact CB-CB 3.66Å; K163-H166 WeakPolarHBondContact O-CB 3.38Å; K163-H166 PolarHBondContact O-N 3.42Å; K163-H166 VanDerWaalsContact O-N 3.1Å; L164-H166 PolarHBondContact O-N 3.22Å; H166-C168 PolarHBondContact O-N 3.32Å; H166-C168 PolarHBondContact O-SG 3.43Å
167L97.5Very high94.6Very high69 Ų6964.3 Ų64.336%0.36134%0.344SS..SBendtrans58.624-178.9-55.5175.1000113.4N165 F172 Q181N165-L167 PolarHBondContact O-N 2.95Å; L167-F172 HydrophobicContact CB-CE2 4.16Å; L167-F172 HydrophobicContact CB-CZ 4.23Å; L167-F172 HydrophobicContact CD2-CD2 4.36Å; L167-F172 HydrophobicContact CD2-CE2 3.62Å; L167-F172 HydrophobicContact CD2-CZ 4.22Å; L167-F172 WeakPolarHBondContact O-CE1 3.06Å; L167-Q181 HydrophobicContact CB-CB 4.06Å; L167-Q181 PolarHBondContact O-N 3.19Å
168C98.3Very high94.4Very high2 Ų267.7 Ų67.71%0.01436%0.357CS..  trans-152170.2179.563.20000109.8N133 N157 N165 H166 F172 P180N133-C168 PolarHBondContact ND2-SG 3.26Å; N157-C168 HydrophobicContact CB-CB 4.38Å; N157-C168 WeakPolarHBondContact ND2-CB 3.31Å; N165-C168 CarbonylContact C-O 3.58Å; H166-C168 PolarHBondContact O-N 3.32Å; H166-C168 PolarHBondContact O-SG 3.43Å; C168-F172 WeakPolarHBondContact O-CB 3.48Å; C168-P180 HydrophobicContact CB-CB 3.83Å
169G98.1Very high94.3Very high1 Ų167.7 Ų67.71%0.0136%0.359CS..SBendtrans93.5167177.400000114.4D130 D171 F172 V173 F194D130-G169 WeakPolarHBondContact OD2-CA 3.46Å; D130-G169 PolarHBondContact OD2-N 2.94Å; G169-D171 PolarHBondContact O-N 3.37Å; G169-F172 WeakPolarHBondContact O-CB 3.27Å; G169-F172 PolarHBondContact O-N 3.4Å; G169-F172 VanDerWaalsContact O-N 3.1Å; G169-V173 WeakPolarHBondContact O-CG2 3.2Å; G169-V173 PolarHBondContact O-N 3.47Å; G169-F194 CarbonylContact C-O 3.52Å; G169-F194 WeakPolarHBondContact CA-O 3.44Å
170A97.4Very high94.5Very high0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-56.1-46.6-171.400000112.7F172 V173 K174 F194 D195 R200 V202A170-F172 PolarHBondContact O-N 3.28Å; A170-V173 PolarHBondContact O-N 3.41Å; A170-K174 VanDerWaalsContact O-CB 3.27Å; A170-K174 WeakPolarHBondContact O-CB 3.44Å; A170-K174 PolarHBondContact O-N 2.98Å; A170-F194 PolarHBondContact N-O 3.23Å; A170-D195 HydrophobicContact CB-CB 4.3Å; A170-R200 HydrophobicContact CB-CB 4.05Å; A170-V202 HydrophobicContact CB-CG1 4.43Å; A170-V202 HydrophobicContact CB-CG2 4.02Å
171D90.9Very high94.6Very high65 Ų6567.4 Ų67.435%0.34834%0.338SS..Hα-helixtrans-60.9-44.4177.8-74.8-13.2000111.7G169 K174 S175 R200G169-D171 PolarHBondContact O-N 3.37Å; D171-K174 PolarHBondContact O-N 3.44Å; D171-S175 WeakPolarHBondContact O-CB 3.35Å; D171-S175 PolarHBondContact O-N 3.01Å; D171-S175 PolarHBondContact O-OG 3.11Å; D171-S175 VanDerWaalsContact O-OG 3.12Å; D171-R200 VanDerWaalsContact CG-NH1 3.33Å; D171-R200 IonicContact OD1-CZ 3.8Å; D171-R200 IonicContact OD1-NH1 3.67Å; D171-R200 PolarHBondContact OD1-NH1 2.89Å; D171-R200 IonicContact OD2-NH1 2.76Å; D171-R200 PolarHBondContact OD2-NH1 3.47Å; D171-R200 VanDerWaalsContact OD2-NH1 3.11Å
172F96.4Very high94.5Very high20 Ų2060.6 Ų60.69%0.08833%0.325CS..Hα-helixtrans-61.1-49.7178.4174.6-96.8000111.2L167 C168 G169 A170 S175 H176 K178L167-F172 HydrophobicContact CB-CE2 4.16Å; L167-F172 HydrophobicContact CB-CZ 4.23Å; L167-F172 HydrophobicContact CD2-CD2 4.36Å; L167-F172 HydrophobicContact CD2-CE2 3.62Å; L167-F172 HydrophobicContact CD2-CZ 4.22Å; L167-F172 WeakPolarHBondContact O-CE1 3.06Å; C168-F172 WeakPolarHBondContact O-CB 3.48Å; G169-F172 WeakPolarHBondContact O-CB 3.27Å; G169-F172 PolarHBondContact O-N 3.4Å; G169-F172 VanDerWaalsContact O-N 3.1Å; A170-F172 PolarHBondContact O-N 3.28Å; F172-S175 PolarHBondContact O-N 2.96Å; F172-H176 AromaticContact CD2-CE1 3.6Å; F172-H176 AromaticContact CD2-ND1 3.37Å; F172-H176 WeakPolarHBondContact CD2-ND1 3.27Å; F172-H176 AromaticContact CE2-CE1 3.86Å; F172-H176 AromaticContact CE2-CG 3.94Å; F172-H176 AromaticContact CE2-ND1 3.67Å; F172-H176 AromaticContact CG-ND1 3.95Å; F172-H176 WeakPolarHBondContact O-CB 3.34Å; F172-H176 PolarHBondContact O-N 2.75Å; F172-H176 PolarHBondContact O-ND1 3.24Å; F172-K178 HydrophobicContact CE1-CG 4.27Å; F172-K178 HydrophobicContact CZ-CG 4.49Å
173V97.4Very high94.6Very high0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-63.8-43.3-178.9174.70000110.9G169 A170 Q177 P180 S193 V202 Y204 F212 L214G169-V173 WeakPolarHBondContact O-CG2 3.2Å; G169-V173 PolarHBondContact O-N 3.47Å; A170-V173 PolarHBondContact O-N 3.41Å; V173-Q177 WeakPolarHBondContact O-CA 3.34Å; V173-Q177 PolarHBondContact O-N 3.26Å; V173-P180 HydrophobicContact CG2-CB 4.34Å; V173-P180 HydrophobicContact CG2-CG 4.45Å; V173-S193 WeakPolarHBondContact CG2-OG 3.37Å; V173-V202 HydrophobicContact CB-CG2 4.18Å; V173-V202 HydrophobicContact CG1-CG2 4.13Å; V173-Y204 HydrophobicContact CG1-CD1 3.65Å; V173-Y204 HydrophobicContact CG1-CE1 3.91Å; V173-Y204 HydrophobicContact CG1-CG 4.28Å; V173-Y204 HydrophobicContact CG2-CE1 4.15Å; V173-F212 HydrophobicContact CG1-CZ 3.71Å; V173-L214 HydrophobicContact CG1-CD1 3.96Å
174K91.2Very high94.3Very high51 Ų5160 Ų6022%0.22232%0.316CS..Hα-helixtrans-63.1-47.5177.5174.659.1179177.60112A170 D171 L214 D216 A290A170-K174 VanDerWaalsContact O-CB 3.27Å; A170-K174 WeakPolarHBondContact O-CB 3.44Å; A170-K174 PolarHBondContact O-N 2.98Å; D171-K174 PolarHBondContact O-N 3.44Å; K174-L214 HydrophobicContact CD-CD2 3.69Å; K174-D216 HydrophobicContact CD-CB 4.2Å; K174-D216 IonicContact NZ-OD2 3.13Å; K174-D216 PolarHBondContact NZ-OD2 3.03Å; K174-A290 WeakPolarHBondContact CD-O 3.17Å; K174-A290 WeakPolarHBondContact CE-O 3.07Å
175S83.8Confident94Very high94 Ų9458.9 Ų58.966%0.65731%0.309SS*.Hα-helixtrans-74-35-175.6-63.30000113.3D171 F172D171-S175 WeakPolarHBondContact O-CB 3.35Å; D171-S175 PolarHBondContact O-N 3.01Å; D171-S175 PolarHBondContact O-OG 3.11Å; D171-S175 VanDerWaalsContact O-OG 3.12Å; F172-S175 PolarHBondContact O-N 2.96Å
176H92.5Very high93.8Very high106 Ų10662.7 Ų62.749%0.49132%0.323SS..Hα-helixtrans-99.5-9.1-176.2-6083.3000113.7F172 K178F172-H176 AromaticContact CD2-CE1 3.6Å; F172-H176 AromaticContact CD2-ND1 3.37Å; F172-H176 WeakPolarHBondContact CD2-ND1 3.27Å; F172-H176 AromaticContact CE2-CE1 3.86Å; F172-H176 AromaticContact CE2-CG 3.94Å; F172-H176 AromaticContact CE2-ND1 3.67Å; F172-H176 AromaticContact CG-ND1 3.95Å; F172-H176 WeakPolarHBondContact O-CB 3.34Å; F172-H176 PolarHBondContact O-N 2.75Å; F172-H176 PolarHBondContact O-ND1 3.24Å; H176-K178 VanDerWaalsContact C-N 3.26Å; H176-K178 HydrophobicContact CB-CD 4.17Å; H176-K178 HydrophobicContact CB-CG 3.89Å; H176-K178 PolarHBondContact O-N 3.23Å
177Q90.9Very high93.5Very high130 Ų13060.3 Ų60.361%0.60732%0.318SS*.THydrogen-bonded Turntrans46.848.6-178.1-58.5-166.533.100112.8V173 F212V173-Q177 WeakPolarHBondContact O-CA 3.34Å; V173-Q177 PolarHBondContact O-N 3.26Å; Q177-F212 VanDerWaalsContact C-CD1 3.46Å; Q177-F212 HydrophobicContact CB-CE1 4.41Å; Q177-F212 WeakPolarHBondContact O-CD1 3.32Å
178K94.8Very high93.1Very high102 Ų10262.5 Ų62.544%0.44333%0.33SS..SBendtrans-150.4161.8178.770.7-176.7-174.4177.90111.2F172 H176F172-K178 HydrophobicContact CE1-CG 4.27Å; F172-K178 HydrophobicContact CZ-CG 4.49Å; H176-K178 VanDerWaalsContact C-N 3.26Å; H176-K178 HydrophobicContact CB-CD 4.17Å; H176-K178 HydrophobicContact CB-CG 3.89Å; H176-K178 PolarHBondContact O-N 3.23Å
179P95.4Very high92.8Very high36 Ų3664.7 Ų64.723%0.23434%0.34CS..PPolyproline II helixtrans-57.8150.8176.4-28.438.3000113.9I185 H206 F212P179-I185 HydrophobicContact CB-CD1 3.6Å; P179-I185 HydrophobicContact CG-CD1 3.79Å; P179-H206 VanDerWaalsContact CG-NE2 3.26Å; P179-H206 WeakPolarHBondContact CG-NE2 3.44Å; P179-F212 HydrophobicContact CG-CD2 3.82Å; P179-F212 HydrophobicContact CG-CE2 4.05Å
180P97.1Very high92.7Very high5 Ų569.5 Ų69.53%0.03236%0.358CS..PPolyproline II helixtrans-68154.2172.631.3-35.4000111.5D130 C168 V173 M183 Y204D130-P180 HydrophobicContact CB-CB 4.34Å; D130-P180 HydrophobicContact CB-CG 3.74Å; D130-P180 WeakPolarHBondContact OD2-CB 3.43Å; D130-P180 WeakPolarHBondContact OD2-CG 3.23Å; C168-P180 HydrophobicContact CB-CB 3.83Å; V173-P180 HydrophobicContact CG2-CB 4.34Å; V173-P180 HydrophobicContact CG2-CG 4.45Å; P180-M183 HydrophobicContact CG-CB 4.04Å; P180-M183 HydrophobicContact CG-SD 3.65Å; P180-Y204 WeakPolarHBondContact CD-OH 3.17Å; P180-Y204 WeakPolarHBondContact CG-OH 3.41Å
181Q95.9Very high92.7Very high117 Ų11769.5 Ų69.555%0.54736%0.358SS..THydrogen-bonded Turntrans-64.7144.8173.1-175.7176.2-4.400110.7N157 L167 M183N157-Q181 PolarHBondContact ND2-O 3.48Å; N157-Q181 PolarHBondContact OD1-O 3.4Å; L167-Q181 HydrophobicContact CB-CB 4.06Å; L167-Q181 PolarHBondContact O-N 3.19Å; Q181-M183 VanDerWaalsContact C-N 3.34Å
182G88.8Confident93.1Very high60 Ų6066.4 Ų66.462%0.61934%0.342SS*.THydrogen-bonded Turntrans84.96.2175.400000114.5
183M93.3Very high93.2Very high14 Ų1465.5 Ų65.57%0.06934%0.338CS..  trans-124.1116.2-179-167.6-172.4-169.600110.3K128 D130 F156 P180 Q181 I185 C191 Y204K128-M183 HydrophobicContact CB-CE 3.13Å; K128-M183 HydrophobicContact CD-CE 4.13Å; K128-M183 HydrophobicContact CG-CE 4.27Å; D130-M183 HydrophobicContact CB-SD 4.23Å; F156-M183 HydrophobicContact CB-CG 4.35Å; F156-M183 HydrophobicContact CD1-CB 4.28Å; F156-M183 HydrophobicContact CD1-CG 4.11Å; F156-M183 HydrophobicContact CD2-CE 4.14Å; F156-M183 HydrophobicContact CD2-CG 4.11Å; F156-M183 HydrophobicContact CE1-CG 4.46Å; F156-M183 HydrophobicContact CE2-CG 4.48Å; F156-M183 HydrophobicContact CG-CB 4.35Å; F156-M183 HydrophobicContact CG-CG 3.92Å; P180-M183 HydrophobicContact CG-CB 4.04Å; P180-M183 HydrophobicContact CG-SD 3.65Å; Q181-M183 VanDerWaalsContact C-N 3.34Å; M183-I185 HydrophobicContact CG-CG1 4.18Å; M183-I185 HydrophobicContact SD-CD1 4.24Å; M183-I185 HydrophobicContact SD-CG1 4.31Å; M183-C191 HydrophobicContact CE-CB 3.82Å; M183-Y204 HydrophobicContact SD-CE2 4.34Å; M183-Y204 PolarHBondContact SD-OH 3.05Å; M183-Y204 VanDerWaalsContact SD-OH 3.38Å
184E90.1Very high93.2Very high168 Ų16867.4 Ų67.479%0.78535%0.346SS*.  trans-87.4127.9170.9-68.5-175178.700110.1K128K128-E184 PolarHBondContact NZ-O 3.15Å
185I91.9Very high93.6Very high24 Ų2465.3 Ų65.312%0.12334%0.337CS..  trans-121.2121.3-175.8-53.8177.5000109P179 M183 E189 Y204P179-I185 HydrophobicContact CB-CD1 3.6Å; P179-I185 HydrophobicContact CG-CD1 3.79Å; M183-I185 HydrophobicContact CG-CG1 4.18Å; M183-I185 HydrophobicContact SD-CD1 4.24Å; M183-I185 HydrophobicContact SD-CG1 4.31Å; I185-E189 HydrophobicContact CG2-CB 4.45Å; I185-Y204 HydrophobicContact CD1-CD2 3.94Å; I185-Y204 HydrophobicContact CD1-CE2 3.51Å
186K91.2Very high94.2Very high146 Ų14660.9 Ų60.964%0.63531%0.307SS*.  trans-88.6160.6171.6-56.4176.5-179.6173.10110N188 E189K186-N188 PolarHBondContact O-N 3.03Å; K186-E189 HydrophobicContact CB-CG 3.96Å; K186-E189 PolarHBondContact N-OE2 3.47Å; K186-E189 WeakPolarHBondContact O-CB 3.4Å; K186-E189 PolarHBondContact O-N 3.23Å
187S91.8Very high94.5Very high57 Ų5757.7 Ų57.740%0.39929%0.293SS..BIsolated β-bridgetrans-54.8137175.5-62.90000111.6E189 H206 D207S187-E189 PolarHBondContact O-N 3.16Å; S187-H206 CarbonylContact C-O 3.59Å; S187-H206 WeakPolarHBondContact CA-O 3.3Å; S187-D207 VanDerWaalsContact CB-O 3.24Å; S187-D207 WeakPolarHBondContact CB-O 3.34Å; S187-D207 PolarHBondContact OG-O 2.78Å
188N87.9Confident94.8Very high114 Ų11452.3 Ų52.361%0.6127%0.271SS*.THydrogen-bonded Turntrans61.713.6-179.8-52.7-45.1000115.5K186 H206K186-N188 PolarHBondContact O-N 3.03Å; N188-H206 PolarHBondContact N-O 2.95Å
189E92.8Very high94.9Very high49 Ų4949.2 Ų49.223%0.22926%0.26CS..  trans-77.1127169.7-72.4-177.2150.700111K128 I185 K186 S187 C191 Y205K128-E189 WeakPolarHBondContact CE-OE2 3.42Å; K128-E189 VanDerWaalsContact NZ-CD 3.31Å; K128-E189 IonicContact NZ-OE1 3.77Å; K128-E189 PolarHBondContact NZ-OE1 2.88Å; K128-E189 IonicContact NZ-OE2 2.75Å; K128-E189 PolarHBondContact NZ-OE2 2.83Å; I185-E189 HydrophobicContact CG2-CB 4.45Å; K186-E189 HydrophobicContact CB-CG 3.96Å; K186-E189 PolarHBondContact N-OE2 3.47Å; K186-E189 WeakPolarHBondContact O-CB 3.4Å; K186-E189 PolarHBondContact O-N 3.23Å; S187-E189 PolarHBondContact O-N 3.16Å; E189-C191 PolarHBondContact O-N 3.13Å; E189-Y205 WeakPolarHBondContact O-CB 3.3Å
190R95.2Very high95Very high101 Ų10150.6 Ų50.638%0.38126%0.26SS..  trans-74.5121.5174.7-173.2176.457.1-156.6-7.8110.1Y124 S126 L127 K128 Y203Y124-R190 PolarHBondContact O-NH1 2.95Å; Y124-R190 PolarHBondContact O-NH2 3.42Å; S126-R190 PolarHBondContact O-NH2 3.04Å; L127-R190 HydrophobicContact CD1-CB 4.44Å; L127-R190 HydrophobicContact CD1-CG 3.83Å; K128-R190 PolarHBondContact N-O 2.82Å; R190-Y203 HydrophobicContact CG-CD1 4Å; R190-Y203 HydrophobicContact CG-CE1 4.11Å
191C97.7Very high95.1Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-126.9153.2179.3-57.90000110.7K128 M183 E189 Y203 Y204K128-C191 VanDerWaalsContact O-CA 3.29Å; K128-C191 WeakPolarHBondContact O-CA 3.35Å; M183-C191 HydrophobicContact CE-CB 3.82Å; E189-C191 PolarHBondContact O-N 3.13Å; C191-Y203 CarbonylContact O-C 3.57Å; C191-Y203 VanDerWaalsContact O-CA 3.31Å; C191-Y203 WeakPolarHBondContact O-CA 3.47Å; C191-Y203 WeakPolarHBondContact O-CD1 3.35Å; C191-Y204 HydrophobicContact CB-CD2 3.54Å; C191-Y204 HydrophobicContact CB-CE2 3.19Å; C191-Y204 HydrophobicContact CB-CG 4.34Å; C191-Y204 WeakPolarHBondContact CB-O 3.38Å; C191-Y204 PolarHBondContact N-O 3.14Å; C191-Y204 PolarHBondContact O-N 3.17Å
192C98.5Very high95.2Very high1 Ų146.7 Ų46.71%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-143.2160167660000111.7L127 K128 V129 D130 I201 V202 Y203 Y204L127-C192 HydrophobicContact CD1-CB 4.5Å; K128-C192 PolarHBondContact O-N 3.36Å; V129-C192 WeakPolarHBondContact CA-O 3.39Å; D130-C192 PolarHBondContact N-O 3.12Å; C192-I201 HydrophobicContact CB-CD1 4.15Å; C192-I201 HydrophobicContact CB-CG1 4.13Å; C192-V202 CarbonylContact C-O 3.57Å; C192-V202 WeakPolarHBondContact CA-O 3.29Å; C192-V202 VanDerWaalsContact CB-O 3.25Å; C192-V202 WeakPolarHBondContact CB-O 3.45Å; C192-Y203 HydrophobicContact CB-CD1 3.78Å; C192-Y203 HydrophobicContact CB-CD2 4.09Å; C192-Y203 HydrophobicContact CB-CE1 3.82Å; C192-Y203 HydrophobicContact CB-CE2 4.14Å; C192-Y203 HydrophobicContact CB-CG 3.92Å; C192-Y204 PolarHBondContact O-OH 3.16Å
193S98.8Very high95.7Very high0 Ų047.2 Ų47.20%023%0.226CC..EExtended strand (participates in β ladder)trans-122.5134.8172.3-68.90000110.1D130 V173 I201 V202 Y204D130-S193 WeakPolarHBondContact CB-OG 3.42Å; D130-S193 CarbonylContact O-C 3.55Å; D130-S193 WeakPolarHBondContact O-CA 3.4Å; D130-S193 WeakPolarHBondContact OD2-CB 3.4Å; D130-S193 PolarHBondContact OD2-OG 3.1Å; V173-S193 WeakPolarHBondContact CG2-OG 3.37Å; S193-I201 WeakPolarHBondContact O-CA 3.49Å; S193-V202 PolarHBondContact N-O 2.95Å; S193-V202 PolarHBondContact O-N 3.24Å; S193-V202 VanDerWaalsContact O-N 3.16Å; S193-Y204 VanDerWaalsContact OG-CE1 3.31Å; S193-Y204 WeakPolarHBondContact OG-CE1 3.19Å; S193-Y204 PolarHBondContact OG-OH 2.76Å; S193-Y204 VanDerWaalsContact OG-OH 3.05Å
194F98.6Very high95.9Very high40 Ų4046.6 Ų46.618%0.17522%0.223CC..EExtended strand (participates in β ladder)trans-85.5165.3161.1-65.9-38000110.8V129 D130 A132 L140 G169 A170 A198 R200 I201V129-F194 HydrophobicContact CG1-CD2 4Å; V129-F194 HydrophobicContact CG1-CE2 3.83Å; V129-F194 HydrophobicContact CG1-CZ 4.34Å; D130-F194 PolarHBondContact O-N 3.25Å; A132-F194 WeakPolarHBondContact CB-O 3.48Å; L140-F194 HydrophobicContact CD2-CE2 3.96Å; L140-F194 HydrophobicContact CD2-CZ 4.47Å; G169-F194 CarbonylContact C-O 3.52Å; G169-F194 WeakPolarHBondContact CA-O 3.44Å; A170-F194 PolarHBondContact N-O 3.23Å; F194-A198 HydrophobicContact CB-CB 4.32Å; F194-A198 HydrophobicContact CD2-CB 4.38Å; F194-A198 HydrophobicContact CG-CB 4.25Å; F194-R200 WeakPolarHBondContact CA-O 3.46Å; F194-I201 HydrophobicContact CD1-CB 4.27Å; F194-I201 HydrophobicContact CD1-CD1 4.4Å; F194-I201 HydrophobicContact CD1-CG1 4.27Å; F194-I201 HydrophobicContact CE1-CB 4.44Å; F194-I201 HydrophobicContact CE1-CD1 3.9Å; F194-I201 HydrophobicContact CE1-CG1 4.27Å
195D98.2Very high96.3Very high7 Ų742.5 Ų42.54%0.03720%0.201CC..  trans-93.3-176.715870.3-24.5000111.7A170 D197 A198 D199 R200A170-D195 HydrophobicContact CB-CB 4.3Å; D195-D197 VanDerWaalsContact C-N 3.34Å; D195-D197 PolarHBondContact O-N 3.29Å; D195-A198 PolarHBondContact O-N 3.01Å; D195-A198 VanDerWaalsContact O-N 3.15Å; D195-A198 WeakPolarHBondContact OD1-CA 3.43Å; D195-A198 PolarHBondContact OD1-N 3.21Å; D195-D199 PolarHBondContact OD1-N 3.24Å; D195-R200 HydrophobicContact CB-CB 4.13Å; D195-R200 PolarHBondContact N-O 3.2Å; D195-R200 PolarHBondContact OD1-N 3.18Å; D195-R200 WeakPolarHBondContact OD2-CD 3.37Å; D195-R200 IonicContact OD2-NE 2.63Å; D195-R200 PolarHBondContact OD2-NE 2.87Å
196G97.1Very high96.4Very high2 Ų243.1 Ų43.12%0.02120%0.203CC..THydrogen-bonded Turntrans-61.7-36-165.600000114.9G134 I135 N165G134-G196 VanDerWaalsContact CA-O 3.27Å; G134-G196 WeakPolarHBondContact CA-O 3.27Å; I135-G196 PolarHBondContact N-O 2.61Å; I135-G196 VanDerWaalsContact N-O 3.08Å; N165-G196 WeakPolarHBondContact OD1-CA 3.35Å; N165-G196 PolarHBondContact OD1-N 3.08Å; N165-G196 VanDerWaalsContact OD1-N 3.15Å
197D98.1Very high96.6Very high38 Ų3837.6 Ų37.620%0.20318%0.181CC..THydrogen-bonded Turntrans-103.64.1177.963.4-43.5000113.8T77 T78 D195T77-D197 WeakPolarHBondContact CB-O 3.09Å; T78-D197 WeakPolarHBondContact CB-OD2 3.35Å; T78-D197 PolarHBondContact N-O 2.72Å; T78-D197 VanDerWaalsContact N-O 3.17Å; T78-D197 PolarHBondContact OG1-OD2 2.61Å; D195-D197 VanDerWaalsContact C-N 3.34Å; D195-D197 PolarHBondContact O-N 3.29Å
198A98.1Very high96.7Very high18 Ų1838.6 Ų38.615%0.14919%0.192CC..SBendtrans59.243.4176.500000114.1T77 P79 F194 D195T77-A198 HydrophobicContact CG2-CB 4.04Å; P79-A198 WeakPolarHBondContact CG-O 3.44Å; F194-A198 HydrophobicContact CB-CB 4.32Å; F194-A198 HydrophobicContact CD2-CB 4.38Å; F194-A198 HydrophobicContact CG-CB 4.25Å; D195-A198 PolarHBondContact O-N 3.01Å; D195-A198 VanDerWaalsContact O-N 3.15Å; D195-A198 WeakPolarHBondContact OD1-CA 3.43Å; D195-A198 PolarHBondContact OD1-N 3.21Å
199D97.3Very high97Very high37 Ų3739.5 Ų39.520%0.19820%0.197CC..  trans-102.9-10.6171.991.3-2.7000113.4T78 P79 D195 H293T78-D199 HydrophobicContact CG2-CB 4.43Å; P79-D199 HydrophobicContact CG-CB 4.33Å; D195-D199 PolarHBondContact OD1-N 3.24Å; D199-H293 IonicContact OD1-CE1 3.09Å; D199-H293 IonicContact OD1-ND1 3.27Å; D199-H293 PolarHBondContact OD1-ND1 3.49Å; D199-H293 IonicContact OD2-CE1 3.65Å; D199-H293 PolarHBondContact OD2-CE1 3.1Å; D199-H293 IonicContact OD2-ND1 2.72Å; D199-H293 PolarHBondContact OD2-ND1 3.37Å
200R97.6Very high96.9Very high64 Ų6439 Ų3924%0.24221%0.206CC..BIsolated β-bridgetrans-116.2148.4171.7-70161.9-151.3-169.23.4112A170 D171 F194 D195 H293A170-R200 HydrophobicContact CB-CB 4.05Å; D171-R200 VanDerWaalsContact CG-NH1 3.33Å; D171-R200 IonicContact OD1-CZ 3.8Å; D171-R200 IonicContact OD1-NH1 3.67Å; D171-R200 PolarHBondContact OD1-NH1 2.89Å; D171-R200 IonicContact OD2-NH1 2.76Å; D171-R200 PolarHBondContact OD2-NH1 3.47Å; D171-R200 VanDerWaalsContact OD2-NH1 3.11Å; F194-R200 WeakPolarHBondContact CA-O 3.46Å; D195-R200 HydrophobicContact CB-CB 4.13Å; D195-R200 PolarHBondContact N-O 3.2Å; D195-R200 PolarHBondContact OD1-N 3.18Å; D195-R200 WeakPolarHBondContact OD2-CD 3.37Å; D195-R200 IonicContact OD2-NE 2.63Å; D195-R200 PolarHBondContact OD2-NE 2.87Å; R200-H293 HydrophobicContact CG-CB 3.81Å
201I98.4Very high96.8Very high41 Ų4139.7 Ų39.721%0.2121%0.213CC..EExtended strand (participates in β ladder)trans-140.2135.8169.5-172.9173.2000111.2C192 S193 F194 Y203 I220 G292C192-I201 HydrophobicContact CB-CD1 4.15Å; C192-I201 HydrophobicContact CB-CG1 4.13Å; S193-I201 WeakPolarHBondContact O-CA 3.49Å; F194-I201 HydrophobicContact CD1-CB 4.27Å; F194-I201 HydrophobicContact CD1-CD1 4.4Å; F194-I201 HydrophobicContact CD1-CG1 4.27Å; F194-I201 HydrophobicContact CE1-CB 4.44Å; F194-I201 HydrophobicContact CE1-CD1 3.9Å; F194-I201 HydrophobicContact CE1-CG1 4.27Å; I201-Y203 HydrophobicContact CD1-CD2 4.17Å; I201-Y203 HydrophobicContact CD1-CE2 3.41Å; I201-Y203 VanDerWaalsContact CD1-CE2 3.41Å; I201-Y203 HydrophobicContact CG1-CD2 4.25Å; I201-Y203 HydrophobicContact CG1-CE2 3.98Å; I201-I220 HydrophobicContact CG2-CD1 4.27Å; I201-I220 WeakPolarHBondContact O-CD1 3.27Å; I201-G292 PolarHBondContact N-O 3.16Å; I201-G292 WeakPolarHBondContact O-CA 3.49Å
202V98.4Very high96.7Very high0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-127.1142.6166-62.30000109.3A170 V173 C192 S193 Y204 L214A170-V202 HydrophobicContact CB-CG1 4.43Å; A170-V202 HydrophobicContact CB-CG2 4.02Å; V173-V202 HydrophobicContact CB-CG2 4.18Å; V173-V202 HydrophobicContact CG1-CG2 4.13Å; C192-V202 CarbonylContact C-O 3.57Å; C192-V202 WeakPolarHBondContact CA-O 3.29Å; C192-V202 VanDerWaalsContact CB-O 3.25Å; C192-V202 WeakPolarHBondContact CB-O 3.45Å; S193-V202 PolarHBondContact N-O 2.95Å; S193-V202 PolarHBondContact O-N 3.24Å; S193-V202 VanDerWaalsContact O-N 3.16Å; V202-Y204 HydrophobicContact CG2-CD1 4.49Å; V202-L214 HydrophobicContact CB-CD1 4.28Å; V202-L214 HydrophobicContact CG2-CD1 4.44Å
203Y98.6Very high96.6Very high70 Ų7044.6 Ų44.628%0.27524%0.235SC..EExtended strand (participates in β ladder)trans-101.1157.9173.3-82.9-98.3000110.3L127 R190 C191 C192 I201 I215 I220L127-Y203 HydrophobicContact CD1-CD1 4.46Å; L127-Y203 HydrophobicContact CD1-CE1 3.78Å; R190-Y203 HydrophobicContact CG-CD1 4Å; R190-Y203 HydrophobicContact CG-CE1 4.11Å; C191-Y203 CarbonylContact O-C 3.57Å; C191-Y203 VanDerWaalsContact O-CA 3.31Å; C191-Y203 WeakPolarHBondContact O-CA 3.47Å; C191-Y203 WeakPolarHBondContact O-CD1 3.35Å; C192-Y203 HydrophobicContact CB-CD1 3.78Å; C192-Y203 HydrophobicContact CB-CD2 4.09Å; C192-Y203 HydrophobicContact CB-CE1 3.82Å; C192-Y203 HydrophobicContact CB-CE2 4.14Å; C192-Y203 HydrophobicContact CB-CG 3.92Å; I201-Y203 HydrophobicContact CD1-CD2 4.17Å; I201-Y203 HydrophobicContact CD1-CE2 3.41Å; I201-Y203 VanDerWaalsContact CD1-CE2 3.41Å; I201-Y203 HydrophobicContact CG1-CD2 4.25Å; I201-Y203 HydrophobicContact CG1-CE2 3.98Å; Y203-I215 PolarHBondContact N-O 2.93Å; Y203-I215 CarbonylContact O-C 3.59Å; Y203-I215 WeakPolarHBondContact O-CA 3.41Å; Y203-I215 WeakPolarHBondContact O-CB 3.25Å; Y203-I215 PolarHBondContact O-N 3.15Å; Y203-I215 VanDerWaalsContact O-O 3.1Å; Y203-I220 HydrophobicContact CD2-CD1 4.36Å
204Y98.1Very high96.5Very high2 Ų245.4 Ų45.41%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-163.4163.5174.648.1-88.9000111V173 P180 M183 I185 C191 C192 S193 V202 F212 H213V173-Y204 HydrophobicContact CG1-CD1 3.65Å; V173-Y204 HydrophobicContact CG1-CE1 3.91Å; V173-Y204 HydrophobicContact CG1-CG 4.28Å; V173-Y204 HydrophobicContact CG2-CE1 4.15Å; P180-Y204 WeakPolarHBondContact CD-OH 3.17Å; P180-Y204 WeakPolarHBondContact CG-OH 3.41Å; M183-Y204 HydrophobicContact SD-CE2 4.34Å; M183-Y204 PolarHBondContact SD-OH 3.05Å; M183-Y204 VanDerWaalsContact SD-OH 3.38Å; I185-Y204 HydrophobicContact CD1-CD2 3.94Å; I185-Y204 HydrophobicContact CD1-CE2 3.51Å; C191-Y204 HydrophobicContact CB-CD2 3.54Å; C191-Y204 HydrophobicContact CB-CE2 3.19Å; C191-Y204 HydrophobicContact CB-CG 4.34Å; C191-Y204 WeakPolarHBondContact CB-O 3.38Å; C191-Y204 PolarHBondContact N-O 3.14Å; C191-Y204 PolarHBondContact O-N 3.17Å; C192-Y204 PolarHBondContact O-OH 3.16Å; S193-Y204 VanDerWaalsContact OG-CE1 3.31Å; S193-Y204 WeakPolarHBondContact OG-CE1 3.19Å; S193-Y204 PolarHBondContact OG-OH 2.76Å; S193-Y204 VanDerWaalsContact OG-OH 3.05Å; V202-Y204 HydrophobicContact CG2-CD1 4.49Å; Y204-F212 VanDerWaalsContact CB-CZ 3.46Å; Y204-F212 HydrophobicContact CD1-CZ 4.45Å; Y204-F212 AromaticContact CD2-CE2 3.65Å; Y204-F212 HydrophobicContact CD2-CE2 3.65Å; Y204-F212 HydrophobicContact CD2-CZ 4.26Å; Y204-F212 AromaticContact CG-CE2 3.68Å; Y204-F212 HydrophobicContact CG-CE2 3.68Å; Y204-F212 AromaticContact CG-CZ 3.82Å; Y204-F212 HydrophobicContact CG-CZ 3.82Å; Y204-H213 WeakPolarHBondContact CA-O 3.47Å; Y204-H213 WeakPolarHBondContact CB-O 3.36Å
205Y97Very high96.5Very high82 Ų8245.9 Ų45.932%0.32224%0.243SC..EExtended strand (participates in β ladder)trans-154.6165.7173.767.4-78.6000110.1E189 D207 H213 I215E189-Y205 WeakPolarHBondContact O-CB 3.3Å; Y205-D207 HydrophobicContact CE2-CB 4.31Å; Y205-H213 HydrophobicContact CD1-CB 3.91Å; Y205-H213 HydrophobicContact CE1-CB 3.45Å; Y205-H213 VanDerWaalsContact CE1-CB 3.45Å; Y205-H213 HydrophobicContact CE2-CB 4.11Å; Y205-H213 AromaticContact CE2-CD2 3.86Å; Y205-H213 HydrophobicContact CG-CB 4.41Å; Y205-H213 AromaticContact CZ-CD2 3.96Å; Y205-H213 AromaticContact CZ-CG 3.78Å; Y205-H213 PolarHBondContact N-O 3.16Å; Y205-H213 VanDerWaalsContact N-O 3.13Å; Y205-H213 PolarHBondContact O-N 3.07Å; Y205-I215 HydrophobicContact CD1-CD1 4.07Å; Y205-I215 HydrophobicContact CE1-CD1 4.1Å; Y205-I215 HydrophobicContact CE1-CG1 4.46Å
206H95.8Very high96.4Very high36 Ų3646.4 Ų46.417%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-98.6135.5163.9-72.1177.1000109.4P179 S187 N188 H211 F212P179-H206 VanDerWaalsContact CG-NE2 3.26Å; P179-H206 WeakPolarHBondContact CG-NE2 3.44Å; S187-H206 CarbonylContact C-O 3.59Å; S187-H206 WeakPolarHBondContact CA-O 3.3Å; N188-H206 PolarHBondContact N-O 2.95Å; H206-H211 CarbonylContact C-O 3.43Å; H206-H211 VanDerWaalsContact CA-O 3.27Å; H206-H211 WeakPolarHBondContact CA-O 3.07Å; H206-F212 AromaticContact CD2-CD2 3.78Å; H206-F212 AromaticContact NE2-CD2 3.68Å
207D94.6Very high96.3Very high30 Ų3046.3 Ų46.316%0.1625%0.245CC..  trans-72.7-177.3172.166.319.3000112.1S187 Y205 D209 G210 H211 H213S187-D207 VanDerWaalsContact CB-O 3.24Å; S187-D207 WeakPolarHBondContact CB-O 3.34Å; S187-D207 PolarHBondContact OG-O 2.78Å; Y205-D207 HydrophobicContact CE2-CB 4.31Å; D207-D209 PolarHBondContact O-N 2.72Å; D207-D209 WeakPolarHBondContact OD1-CA 3.49Å; D207-D209 WeakPolarHBondContact OD1-CB 3.44Å; D207-D209 PolarHBondContact OD1-N 3.15Å; D207-G210 PolarHBondContact O-N 2.88Å; D207-G210 VanDerWaalsContact O-N 3.08Å; D207-G210 PolarHBondContact OD1-N 3.5Å; D207-H211 PolarHBondContact N-O 3.02Å; D207-H211 IonicContact OD1-CG 3.77Å; D207-H211 PolarHBondContact OD1-N 2.85Å; D207-H211 IonicContact OD1-ND1 3.32Å; D207-H211 WeakPolarHBondContact OD2-CB 3.41Å; D207-H211 IonicContact OD2-CG 2.72Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.35Å; D207-H213 IonicContact OD2-CD2 2.76Å; D207-H213 IonicContact OD2-CE1 3.87Å; D207-H213 IonicContact OD2-NE2 2.95Å; D207-H213 PolarHBondContact OD2-NE2 3.01Å
208A93.4Very high96Very high78 Ų7844.6 Ų44.665%0.64524%0.236SC*.THydrogen-bonded Turntrans-62.5-25.3178.300000113.3G210A208-G210 VanDerWaalsContact C-N 3.34Å
209D93.8Very high96Very high134 Ų13448.6 Ų48.672%0.71725%0.25SC*.THydrogen-bonded Turntrans-89.9-3.9177.8-60.2-44.6000112.2D207D207-D209 PolarHBondContact O-N 2.72Å; D207-D209 WeakPolarHBondContact OD1-CA 3.49Å; D207-D209 WeakPolarHBondContact OD1-CB 3.44Å; D207-D209 PolarHBondContact OD1-N 3.15Å
210G90.9Very high96Very high39 Ų3947.7 Ų47.740%0.40225%0.245SC..  trans85.910.3179.500000114.7D207 A208D207-G210 PolarHBondContact O-N 2.88Å; D207-G210 VanDerWaalsContact O-N 3.08Å; D207-G210 PolarHBondContact OD1-N 3.5Å; A208-G210 VanDerWaalsContact C-N 3.34Å
211H94.1Very high96Very high114 Ų11444.7 Ų44.753%0.52823%0.234SC..  trans-75.3139.4175.4-55108.5000111.3H206 D207 H213H206-H211 CarbonylContact C-O 3.43Å; H206-H211 VanDerWaalsContact CA-O 3.27Å; H206-H211 WeakPolarHBondContact CA-O 3.07Å; D207-H211 PolarHBondContact N-O 3.02Å; D207-H211 IonicContact OD1-CG 3.77Å; D207-H211 PolarHBondContact OD1-N 2.85Å; D207-H211 IonicContact OD1-ND1 3.32Å; D207-H211 WeakPolarHBondContact OD2-CB 3.41Å; D207-H211 IonicContact OD2-CG 2.72Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.35Å; H211-H213 PolarHBondContact O-CD2 3.49Å
212F95.5Very high95.9Very high44 Ų4443.8 Ų43.819%0.19323%0.23CC..EExtended strand (participates in β ladder)trans-77.8126.8176.9179.9-94000111.7V173 Q177 P179 Y204 H206 L214V173-F212 HydrophobicContact CG1-CZ 3.71Å; Q177-F212 VanDerWaalsContact C-CD1 3.46Å; Q177-F212 HydrophobicContact CB-CE1 4.41Å; Q177-F212 WeakPolarHBondContact O-CD1 3.32Å; P179-F212 HydrophobicContact CG-CD2 3.82Å; P179-F212 HydrophobicContact CG-CE2 4.05Å; Y204-F212 VanDerWaalsContact CB-CZ 3.46Å; Y204-F212 HydrophobicContact CD1-CZ 4.45Å; Y204-F212 AromaticContact CD2-CE2 3.65Å; Y204-F212 HydrophobicContact CD2-CE2 3.65Å; Y204-F212 HydrophobicContact CD2-CZ 4.26Å; Y204-F212 AromaticContact CG-CE2 3.68Å; Y204-F212 HydrophobicContact CG-CE2 3.68Å; Y204-F212 AromaticContact CG-CZ 3.82Å; Y204-F212 HydrophobicContact CG-CZ 3.82Å; H206-F212 AromaticContact CD2-CD2 3.78Å; H206-F212 AromaticContact NE2-CD2 3.68Å; F212-L214 HydrophobicContact CE1-CB 3.95Å; F212-L214 HydrophobicContact CE1-CD1 4.41Å; F212-L214 HydrophobicContact CZ-CD1 4.4Å
213H96.4Very high95.9Very high61 Ų6149.6 Ų49.628%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-118.5115.3177.1-68.8-81.1000110.4Y204 Y205 D207 H211Y204-H213 WeakPolarHBondContact CA-O 3.47Å; Y204-H213 WeakPolarHBondContact CB-O 3.36Å; Y205-H213 HydrophobicContact CD1-CB 3.91Å; Y205-H213 HydrophobicContact CE1-CB 3.45Å; Y205-H213 VanDerWaalsContact CE1-CB 3.45Å; Y205-H213 HydrophobicContact CE2-CB 4.11Å; Y205-H213 AromaticContact CE2-CD2 3.86Å; Y205-H213 HydrophobicContact CG-CB 4.41Å; Y205-H213 AromaticContact CZ-CD2 3.96Å; Y205-H213 AromaticContact CZ-CG 3.78Å; Y205-H213 PolarHBondContact N-O 3.16Å; Y205-H213 VanDerWaalsContact N-O 3.13Å; Y205-H213 PolarHBondContact O-N 3.07Å; D207-H213 IonicContact OD2-CD2 2.76Å; D207-H213 IonicContact OD2-CE1 3.87Å; D207-H213 IonicContact OD2-NE2 2.95Å; D207-H213 PolarHBondContact OD2-NE2 3.01Å; H211-H213 PolarHBondContact O-CD2 3.49Å
214L96.7Very high95.8Very high17 Ų1747.8 Ų47.89%0.08926%0.255CS..EExtended strand (participates in β ladder)trans-82.7137.5175-17564.3000111.3V173 K174 V202 F212 D216 K219V173-L214 HydrophobicContact CG1-CD1 3.96Å; K174-L214 HydrophobicContact CD-CD2 3.69Å; V202-L214 HydrophobicContact CB-CD1 4.28Å; V202-L214 HydrophobicContact CG2-CD1 4.44Å; F212-L214 HydrophobicContact CE1-CB 3.95Å; F212-L214 HydrophobicContact CE1-CD1 4.41Å; F212-L214 HydrophobicContact CZ-CD1 4.4Å; L214-D216 HydrophobicContact CD2-CB 4Å; L214-D216 HydrophobicContact CG-CB 4.07Å; L214-K219 WeakPolarHBondContact O-CE 3.4Å; L214-K219 PolarHBondContact O-NZ 3.39Å
215I97.9Very high95.7Very high49 Ų4947.7 Ų47.725%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-119.487.9168.3-54.8173.7000107.4Y203 Y205 K219 I220Y203-I215 PolarHBondContact N-O 2.93Å; Y203-I215 CarbonylContact O-C 3.59Å; Y203-I215 WeakPolarHBondContact O-CA 3.41Å; Y203-I215 WeakPolarHBondContact O-CB 3.25Å; Y203-I215 PolarHBondContact O-N 3.15Å; Y203-I215 VanDerWaalsContact O-O 3.1Å; Y205-I215 HydrophobicContact CD1-CD1 4.07Å; Y205-I215 HydrophobicContact CE1-CD1 4.1Å; Y205-I215 HydrophobicContact CE1-CG1 4.46Å; I215-K219 HydrophobicContact CB-CD 4.48Å; I215-K219 HydrophobicContact CG1-CD 4.45Å; I215-K219 HydrophobicContact CG2-CB 3.68Å; I215-K219 HydrophobicContact CG2-CD 4.37Å; I215-I220 HydrophobicContact CG2-CG1 4.42Å
216D95.9Very high95.6Very high18 Ų1844.5 Ų44.510%0.09625%0.245CC..  trans-87.3-175.4-177.164.51.8000112.5K174 L214 D218 K219 I220 A290K174-D216 HydrophobicContact CD-CB 4.2Å; K174-D216 IonicContact NZ-OD2 3.13Å; K174-D216 PolarHBondContact NZ-OD2 3.03Å; L214-D216 HydrophobicContact CD2-CB 4Å; L214-D216 HydrophobicContact CG-CB 4.07Å; D216-D218 PolarHBondContact O-N 3.35Å; D216-D218 PolarHBondContact OD1-N 2.75Å; D216-K219 PolarHBondContact O-N 3.14Å; D216-K219 PolarHBondContact OD1-N 3.17Å; D216-I220 WeakPolarHBondContact O-CG1 3.37Å; D216-I220 PolarHBondContact O-N 2.98Å; D216-A290 WeakPolarHBondContact CB-O 3.32Å
217G95.3Very high95.6Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-56.6-33.6-176.200000114.5I220 A221 F288 E289G217-I220 PolarHBondContact O-N 3.06Å; G217-A221 WeakPolarHBondContact O-CB 3.4Å; G217-A221 PolarHBondContact O-N 3.33Å; G217-F288 VanDerWaalsContact O-CB 3.25Å; G217-F288 WeakPolarHBondContact O-CB 3.14Å; G217-E289 WeakPolarHBondContact CA-O 3.41Å
218D92.4Very high95.6Very high3 Ų344.7 Ų44.72%0.01624%0.244CC..Hα-helixtrans-64.7-46.2176-68-37.2000111D216 I220 A221 T222 Q245 A249 N250D216-D218 PolarHBondContact O-N 3.35Å; D216-D218 PolarHBondContact OD1-N 2.75Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.44Å; D218-A221 PolarHBondContact O-N 3.1Å; D218-T222 WeakPolarHBondContact O-CG2 3.27Å; D218-T222 PolarHBondContact O-N 3.24Å; D218-T222 PolarHBondContact O-OG1 2.98Å; D218-Q245 PolarHBondContact OD1-NE2 2.94Å; D218-Q245 VanDerWaalsContact OD1-NE2 3.15Å; D218-A249 VanDerWaalsContact OD1-CB 3.28Å; D218-A249 WeakPolarHBondContact OD1-CB 3.45Å; D218-A249 WeakPolarHBondContact OD2-CA 3.39Å; D218-N250 PolarHBondContact OD2-N 3.39Å
219K97.1Very high95.7Very high102 Ų10243.9 Ų43.944%0.44323%0.225SC..Hα-helixtrans-64.6-38.4177.4-65.5-162.8-166.6165.90111.2L214 I215 D216 T222 L223L214-K219 WeakPolarHBondContact O-CE 3.4Å; L214-K219 PolarHBondContact O-NZ 3.39Å; I215-K219 HydrophobicContact CB-CD 4.48Å; I215-K219 HydrophobicContact CG1-CD 4.45Å; I215-K219 HydrophobicContact CG2-CB 3.68Å; I215-K219 HydrophobicContact CG2-CD 4.37Å; D216-K219 PolarHBondContact O-N 3.14Å; D216-K219 PolarHBondContact OD1-N 3.17Å; K219-T222 WeakPolarHBondContact CA-OG1 3.47Å; K219-T222 PolarHBondContact O-N 3.15Å; K219-T222 PolarHBondContact O-OG1 3.21Å; K219-L223 WeakPolarHBondContact O-CB 3.13Å; K219-L223 PolarHBondContact O-N 3.17Å
220I98.1Very high95.7Very high18 Ų1843.1 Ų43.19%0.09222%0.218CC..Hα-helixtrans-61.3-46.3174.2-64167.4000110.7I201 Y203 I215 D216 G217 D218 T222 L223 I224 F288I201-I220 HydrophobicContact CG2-CD1 4.27Å; I201-I220 WeakPolarHBondContact O-CD1 3.27Å; Y203-I220 HydrophobicContact CD2-CD1 4.36Å; I215-I220 HydrophobicContact CG2-CG1 4.42Å; D216-I220 WeakPolarHBondContact O-CG1 3.37Å; D216-I220 PolarHBondContact O-N 2.98Å; G217-I220 PolarHBondContact O-N 3.06Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.44Å; I220-T222 PolarHBondContact O-N 3.41Å; I220-L223 PolarHBondContact O-N 2.91Å; I220-I224 HydrophobicContact CG2-CD1 3.69Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 3.37Å; I220-F288 HydrophobicContact CB-CD1 4.45Å; I220-F288 HydrophobicContact CB-CE1 4.42Å; I220-F288 HydrophobicContact CG2-CD1 4.11Å; I220-F288 HydrophobicContact CG2-CE1 3.63Å; I220-F288 HydrophobicContact CG2-CE2 4.21Å; I220-F288 HydrophobicContact CG2-CZ 3.69Å
221A97.3Very high95.8Very high1 Ų141.8 Ų41.81%0.00820%0.201CC..Hα-helixtrans-58.8-48.9176.300000111.5G217 D218 L223 I224 S225 V243 V286 F288G217-A221 WeakPolarHBondContact O-CB 3.4Å; G217-A221 PolarHBondContact O-N 3.33Å; D218-A221 PolarHBondContact O-N 3.1Å; A221-L223 VanDerWaalsContact C-N 3.3Å; A221-L223 PolarHBondContact O-N 3.14Å; A221-I224 PolarHBondContact O-N 3.18Å; A221-S225 WeakPolarHBondContact O-CB 3.35Å; A221-S225 PolarHBondContact O-N 3.37Å; A221-S225 PolarHBondContact O-OG 3.38Å; A221-V243 HydrophobicContact CB-CG1 4.44Å; A221-V286 HydrophobicContact CB-CG1 4.24Å; A221-F288 HydrophobicContact CB-CB 4.07Å; A221-F288 HydrophobicContact CB-CD2 3.69Å; A221-F288 HydrophobicContact CB-CG 4.18Å
222T97.1Very high95.8Very high22 Ų2236.6 Ų36.614%0.13518%0.177CC..Hα-helixtrans-60.4-39.4179.258.60000112.6D218 K219 I220 S226 Y256 L257D218-T222 WeakPolarHBondContact O-CG2 3.27Å; D218-T222 PolarHBondContact O-N 3.24Å; D218-T222 PolarHBondContact O-OG1 2.98Å; K219-T222 WeakPolarHBondContact CA-OG1 3.47Å; K219-T222 PolarHBondContact O-N 3.15Å; K219-T222 PolarHBondContact O-OG1 3.21Å; I220-T222 PolarHBondContact O-N 3.41Å; T222-S226 WeakPolarHBondContact O-CB 3.32Å; T222-S226 PolarHBondContact O-N 3.05Å; T222-Y256 HydrophobicContact CG2-CD1 4.06Å; T222-L257 HydrophobicContact CG2-CD1 4.04Å; T222-L257 HydrophobicContact CG2-CD2 3.96Å; T222-L257 HydrophobicContact CG2-CG 3.85Å
223L97Very high95.7Very high121 Ų12139.3 Ų39.363%0.63420%0.197SC*.Hα-helixtrans-64.9-49.3177.8177.364000111.4K219 I220 A221 S226 F227K219-L223 WeakPolarHBondContact O-CB 3.13Å; K219-L223 PolarHBondContact O-N 3.17Å; I220-L223 PolarHBondContact O-N 2.91Å; A221-L223 VanDerWaalsContact C-N 3.3Å; A221-L223 PolarHBondContact O-N 3.14Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-F227 WeakPolarHBondContact O-CB 3.35Å; L223-F227 PolarHBondContact O-N 3.44Å
224I96.6Very high95.6Very high32 Ų3239.5 Ų39.516%0.16420%0.198CC..Hα-helixtrans-61.9-47.1178.9-71167.3000110.3I220 A221 S226 F227 L228 V286 F288 F331I220-I224 HydrophobicContact CG2-CD1 3.69Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 3.37Å; A221-I224 PolarHBondContact O-N 3.18Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 3.49Å; I224-F227 PolarHBondContact O-N 2.98Å; I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.12Å; I224-L228 PolarHBondContact O-N 3.26Å; I224-V286 HydrophobicContact CB-CG1 4.49Å; I224-V286 HydrophobicContact CG2-CG1 4.17Å; I224-V286 HydrophobicContact CG2-CG2 4.22Å; I224-F288 HydrophobicContact CD1-CE2 3.63Å; I224-F288 HydrophobicContact CD1-CZ 3.6Å; I224-F331 HydrophobicContact CD1-CE1 4.25Å; I224-F331 HydrophobicContact CD1-CZ 4.07Å; I224-F331 HydrophobicContact CG1-CZ 4.48Å; I224-F331 HydrophobicContact CG2-CE2 4.47Å; I224-F331 HydrophobicContact CG2-CZ 3.82Å
225S96.7Very high95.4Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-62.4-38.4178.9-62.80000112.5A221 K229 V243A221-S225 WeakPolarHBondContact O-CB 3.35Å; A221-S225 PolarHBondContact O-N 3.37Å; A221-S225 PolarHBondContact O-OG 3.38Å; S225-K229 VanDerWaalsContact O-CB 3.28Å; S225-K229 WeakPolarHBondContact O-CB 3.17Å; S225-K229 PolarHBondContact O-N 2.89Å; S225-V243 WeakPolarHBondContact OG-CG2 3.35Å
226S95.2Very high95.1Very high16 Ų1639.5 Ų39.511%0.11221%0.212CC..Hα-helixtrans-63.5-50.2174.6-161.60000111.7T222 L223 I224 L228 K229 E230 M261T222-S226 WeakPolarHBondContact O-CB 3.32Å; T222-S226 PolarHBondContact O-N 3.05Å; L223-S226 PolarHBondContact O-N 3.45Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 3.49Å; S226-L228 VanDerWaalsContact C-N 3.35Å; S226-L228 PolarHBondContact O-N 3.32Å; S226-K229 PolarHBondContact O-N 3.31Å; S226-E230 WeakPolarHBondContact O-CG 3.23Å; S226-E230 PolarHBondContact O-N 3.48Å; S226-E230 PolarHBondContact OG-OE1 3.27Å; S226-M261 VanDerWaalsContact CA-CE 3.43Å
227F95.1Very high94.8Very high70 Ų7040.9 Ų40.931%0.30722%0.218SC..Hα-helixtrans-59.5-45.5-179.3-173.7-94000112.2L223 I224 E230 L231 M323 I327L223-F227 WeakPolarHBondContact O-CB 3.35Å; L223-F227 PolarHBondContact O-N 3.44Å; I224-F227 PolarHBondContact O-N 2.98Å; F227-E230 PolarHBondContact O-N 2.68Å; F227-L231 HydrophobicContact CD1-CD1 3.84Å; F227-L231 HydrophobicContact CD1-CG 4.49Å; F227-L231 HydrophobicContact CE1-CD1 3.25Å; F227-L231 HydrophobicContact CE1-CG 4.16Å; F227-L231 HydrophobicContact CZ-CD1 3.76Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.4Å; F227-L231 PolarHBondContact O-N 3.04Å; F227-M323 HydrophobicContact CE2-CE 4.09Å; F227-M323 HydrophobicContact CZ-CE 3.55Å; F227-I327 HydrophobicContact CD1-CD1 3.29Å; F227-I327 HydrophobicContact CE1-CD1 3.05Å; F227-I327 HydrophobicContact CE1-CG1 3.95Å; F227-I327 HydrophobicContact CG-CD1 4.49Å; F227-I327 HydrophobicContact CZ-CD1 4.11Å
228L95.5Very high94.5Very high0 Ų046.8 Ų46.80%026%0.259CS..Hα-helixtrans-62.7-44.6176.8-71173.1000111.8I224 S226 L231 L232 I284 V286 F298 L324 I327I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.12Å; I224-L228 PolarHBondContact O-N 3.26Å; S226-L228 VanDerWaalsContact C-N 3.35Å; S226-L228 PolarHBondContact O-N 3.32Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.49Å; L228-I284 HydrophobicContact CD1-CG2 3.95Å; L228-V286 HydrophobicContact CD1-CG2 4.04Å; L228-F298 HydrophobicContact CD1-CE1 4.44Å; L228-F298 HydrophobicContact CD1-CZ 4.18Å; L228-F298 HydrophobicContact CD2-CE1 4.12Å; L228-F298 HydrophobicContact CD2-CZ 4.1Å; L228-L324 HydrophobicContact CD2-CD2 3.82Å; L228-I327 HydrophobicContact CD2-CG2 3.8Å
229K94.6Very high94.4Very high61 Ų6148 Ų4827%0.26527%0.265SS..Hα-helixtrans-63.2-44179.8-174.2170.2-174.6161.80112S225 S226 L232 V233 I241 M261 K262 V263S225-K229 VanDerWaalsContact O-CB 3.28Å; S225-K229 WeakPolarHBondContact O-CB 3.17Å; S225-K229 PolarHBondContact O-N 2.89Å; S226-K229 PolarHBondContact O-N 3.31Å; K229-L232 PolarHBondContact O-N 3.44Å; K229-V233 WeakPolarHBondContact O-CG2 3.23Å; K229-V233 PolarHBondContact O-N 3.04Å; K229-I241 HydrophobicContact CB-CD1 3.93Å; K229-I241 HydrophobicContact CG-CD1 4.42Å; K229-M261 HydrophobicContact CB-CE 4.1Å; K229-M261 HydrophobicContact CD-CE 3.78Å; K229-M261 HydrophobicContact CG-CE 4.45Å; K229-M261 PolarHBondContact NZ-O 3.23Å; K229-K262 PolarHBondContact NZ-O 3Å; K229-V263 HydrophobicContact CD-CG2 4.05Å
230E93.5Very high94.1Very high118 Ų11846.8 Ų46.855%0.55126%0.264SS*.Hα-helixtrans-59.7-46.4178.3-74.9169.4-147.100111.6S226 F227 L232 V233 E234S226-E230 WeakPolarHBondContact O-CG 3.23Å; S226-E230 PolarHBondContact O-N 3.48Å; S226-E230 PolarHBondContact OG-OE1 3.27Å; F227-E230 PolarHBondContact O-N 2.68Å; E230-L232 PolarHBondContact O-N 3.15Å; E230-V233 PolarHBondContact O-N 3.37Å; E230-E234 PolarHBondContact O-N 3.24Å
231L93.9Very high94Very high10 Ų1046.4 Ų46.45%0.05226%0.262CS..Hα-helixtrans-65.8-37.8178.3-68.2-179.9000112.9F227 L228 E234 I235 A320 M323 L324F227-L231 HydrophobicContact CD1-CD1 3.84Å; F227-L231 HydrophobicContact CD1-CG 4.49Å; F227-L231 HydrophobicContact CE1-CD1 3.25Å; F227-L231 HydrophobicContact CE1-CG 4.16Å; F227-L231 HydrophobicContact CZ-CD1 3.76Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.4Å; F227-L231 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 2.98Å; L231-E234 WeakPolarHBondContact O-CB 3.32Å; L231-E234 PolarHBondContact O-N 3.43Å; L231-I235 PolarHBondContact O-N 2.98Å; L231-I235 VanDerWaalsContact O-N 3.09Å; L231-A320 HydrophobicContact CD2-CB 3.9Å; L231-M323 HydrophobicContact CD1-CB 3.73Å; L231-M323 HydrophobicContact CD2-CB 4.18Å; L231-M323 HydrophobicContact CD2-CE 4.21Å; L231-M323 HydrophobicContact CD2-SD 4.25Å; L231-L324 HydrophobicContact CB-CD1 3.94Å; L231-L324 HydrophobicContact CB-CD2 3.81Å; L231-L324 HydrophobicContact CB-CG 3.66Å; L231-L324 HydrophobicContact CD1-CD2 4.02Å; L231-L324 HydrophobicContact CD1-CG 3.91Å; L231-L324 HydrophobicContact CG-CG 4.45Å
232L94.2Very high94Very high5 Ų546.4 Ų46.43%0.02626%0.262CS..Hα-helixtrans-64.5-44.3176.6-74.7170.5000112L228 K229 E230 E234 I235 G236 E237 L239 I241 I284 L324L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.49Å; K229-L232 PolarHBondContact O-N 3.44Å; E230-L232 PolarHBondContact O-N 3.15Å; L232-E234 VanDerWaalsContact C-N 3.25Å; L232-E234 PolarHBondContact O-N 3.42Å; L232-I235 HydrophobicContact CD2-CD1 4.17Å; L232-I235 VanDerWaalsContact O-CG1 3.24Å; L232-I235 WeakPolarHBondContact O-CG1 3.29Å; L232-I235 PolarHBondContact O-N 3.42Å; L232-G236 PolarHBondContact O-N 3.02Å; L232-G236 VanDerWaalsContact O-N 3.09Å; L232-E237 CarbonylContact C-O 3.6Å; L232-E237 HydrophobicContact CD2-CB 4.07Å; L232-E237 PolarHBondContact O-N 2.85Å; L232-L239 HydrophobicContact CD1-CB 4.25Å; L232-L239 HydrophobicContact CD1-CD1 4.27Å; L232-L239 HydrophobicContact CD2-CD1 3.6Å; L232-L239 HydrophobicContact CD2-CG 4.18Å; L232-I241 HydrophobicContact CD1-CD1 3.7Å; L232-I241 HydrophobicContact CD1-CG1 4.11Å; L232-I284 HydrophobicContact CD1-CD1 3.66Å; L232-L324 HydrophobicContact CD2-CD1 3.82Å; L232-L324 HydrophobicContact CD2-CD2 4.48Å; L232-L324 HydrophobicContact CG-CD1 4.24Å; L232-L324 HydrophobicContact CG-CD2 4.36Å
233V93.6Very high94Very high101 Ų10145.3 Ų45.361%0.61226%0.255SS*.Hα-helixtrans-59.5-40.1173.6171.20000110.7K229 E230 I235 G236K229-V233 WeakPolarHBondContact O-CG2 3.23Å; K229-V233 PolarHBondContact O-N 3.04Å; E230-V233 PolarHBondContact O-N 3.37Å; V233-I235 PolarHBondContact O-N 3.09Å; V233-G236 PolarHBondContact O-N 3.43Å; V233-G236 VanDerWaalsContact O-N 3.1Å
234E92.9Very high94Very high66 Ų6639.6 Ų39.631%0.30823%0.225SC..Hα-helixtrans-64-39.5179.8-170.6165.2161.700113E230 L231 L232 G236 K316 K317 A320E230-E234 PolarHBondContact O-N 3.24Å; L231-E234 WeakPolarHBondContact O-CB 3.32Å; L231-E234 PolarHBondContact O-N 3.43Å; L232-E234 VanDerWaalsContact C-N 3.25Å; L232-E234 PolarHBondContact O-N 3.42Å; E234-G236 VanDerWaalsContact C-N 3.25Å; E234-G236 PolarHBondContact O-N 3.28Å; E234-K316 VanDerWaalsContact CD-CE 3.45Å; E234-K316 HydrophobicContact CG-CG 4.43Å; E234-K316 WeakPolarHBondContact OE1-CE 3.35Å; E234-K316 WeakPolarHBondContact OE1-CG 3.25Å; E234-K317 WeakPolarHBondContact O-CG 3.33Å; E234-A320 HydrophobicContact CB-CB 3.92Å; E234-A320 HydrophobicContact CG-CB 3.73Å
235I93.8Very high93.8Very high9 Ų938.2 Ų38.25%0.04622%0.218CC..Hα-helixtrans-78.1-11.3174.965.8167.4000113.1L231 L232 V233 E237 L313 K317 A320 A321 L324L231-I235 PolarHBondContact O-N 2.98Å; L231-I235 VanDerWaalsContact O-N 3.09Å; L232-I235 HydrophobicContact CD2-CD1 4.17Å; L232-I235 VanDerWaalsContact O-CG1 3.24Å; L232-I235 WeakPolarHBondContact O-CG1 3.29Å; L232-I235 PolarHBondContact O-N 3.42Å; V233-I235 PolarHBondContact O-N 3.09Å; I235-E237 HydrophobicContact CD1-CB 3.93Å; I235-E237 HydrophobicContact CD1-CG 3.52Å; I235-E237 HydrophobicContact CG1-CB 3.86Å; I235-E237 HydrophobicContact CG1-CG 3.74Å; I235-L313 HydrophobicContact CB-CD1 3.96Å; I235-L313 HydrophobicContact CG2-CD1 4.2Å; I235-K317 WeakPolarHBondContact CG2-O 3.37Å; I235-A320 HydrophobicContact CG2-CB 3.71Å; I235-A321 HydrophobicContact CG2-CB 3.93Å; I235-L324 HydrophobicContact CD1-CD1 3.68Å; I235-L324 HydrophobicContact CG1-CD1 4.29Å
236G91.4Very high93.1Very high57 Ų5738.5 Ų38.559%0.58822%0.22SC*.THydrogen-bonded Turntrans85.624.2-179.400000113.5L232 V233 E234L232-G236 PolarHBondContact O-N 3.02Å; L232-G236 VanDerWaalsContact O-N 3.09Å; V233-G236 PolarHBondContact O-N 3.43Å; V233-G236 VanDerWaalsContact O-N 3.1Å; E234-G236 VanDerWaalsContact C-N 3.25Å; E234-G236 PolarHBondContact O-N 3.28Å
237E90.4Very high92.4Very high47 Ų4741.9 Ų41.922%0.2225%0.249CC..  trans-101.4141.1179.4-73.6-63.9166.300111.6L232 I235 K305L232-E237 CarbonylContact C-O 3.6Å; L232-E237 HydrophobicContact CD2-CB 4.07Å; L232-E237 PolarHBondContact O-N 2.85Å; I235-E237 HydrophobicContact CD1-CB 3.93Å; I235-E237 HydrophobicContact CD1-CG 3.52Å; I235-E237 HydrophobicContact CG1-CB 3.86Å; I235-E237 HydrophobicContact CG1-CG 3.74Å; E237-K305 VanDerWaalsContact CD-CE 3.44Å; E237-K305 WeakPolarHBondContact OE1-CE 3.5Å; E237-K305 IonicContact OE1-NZ 2.98Å; E237-K305 PolarHBondContact OE1-NZ 2.7Å; E237-K305 WeakPolarHBondContact OE2-CE 3.41Å; E237-K305 IonicContact OE2-NZ 3.12Å; E237-K305 PolarHBondContact OE2-NZ 2.89Å
238S87.9Confident91.5Very high124 Ų12446.7 Ų46.787%0.86727%0.266SS*.  trans-122.772.4177.2-179.40000109.6
239L89.7Confident90.9Very high27 Ų2747.5 Ų47.514%0.14127%0.273CS..  trans-81.7152.3177.3-60.4178.9000111.6L232 I241 D283 I284 V302L232-L239 HydrophobicContact CD1-CB 4.25Å; L232-L239 HydrophobicContact CD1-CD1 4.27Å; L232-L239 HydrophobicContact CD2-CD1 3.6Å; L232-L239 HydrophobicContact CD2-CG 4.18Å; L239-I241 PolarHBondContact O-N 3.5Å; L239-I241 VanDerWaalsContact O-N 3.1Å; L239-D283 HydrophobicContact CB-CB 4.07Å; L239-I284 HydrophobicContact CD1-CD1 4.14Å; L239-V302 HydrophobicContact CD1-CB 4.34Å; L239-V302 HydrophobicContact CD1-CG1 3.58Å; L239-V302 HydrophobicContact CD1-CG2 3.88Å; L239-V302 HydrophobicContact CD2-CG2 4.19Å
240N90.9Very high90.2Very high77 Ų7749.1 Ų49.141%0.41228%0.284SS..  trans-7795.7176.2-176.421.9000110.7D283 I284N240-D283 HydrophobicContact CB-CB 4.33Å; N240-D283 WeakPolarHBondContact CB-OD2 3.4Å; N240-D283 PolarHBondContact N-OD2 2.89Å; N240-D283 WeakPolarHBondContact O-CB 3.48Å; N240-D283 PolarHBondContact O-N 3.1Å; N240-D283 VanDerWaalsContact O-N 3.11Å; N240-I284 PolarHBondContact O-N 3.23Å
241I96Very high89.5Confident11 Ų1145.6 Ų45.66%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-86.2130.1171.6-50.8177.5000108.7K229 L232 L239 V263 P264 I284K229-I241 HydrophobicContact CB-CD1 3.93Å; K229-I241 HydrophobicContact CG-CD1 4.42Å; L232-I241 HydrophobicContact CD1-CD1 3.7Å; L232-I241 HydrophobicContact CD1-CG1 4.11Å; L239-I241 PolarHBondContact O-N 3.5Å; L239-I241 VanDerWaalsContact O-N 3.1Å; I241-V263 HydrophobicContact CB-CG1 4.32Å; I241-V263 HydrophobicContact CG2-CG1 4.12Å; I241-V263 WeakPolarHBondContact O-CG1 3.25Å; I241-P264 VanDerWaalsContact O-CD 3.24Å; I241-P264 WeakPolarHBondContact O-CD 3.28Å; I241-P264 WeakPolarHBondContact O-CG 3.21Å; I241-I284 CarbonylContact C-O 3.41Å; I241-I284 WeakPolarHBondContact CA-O 3.31Å; I241-I284 HydrophobicContact CG1-CB 4.28Å; I241-I284 HydrophobicContact CG1-CD1 4.45Å; I241-I284 HydrophobicContact CG2-CB 4.49Å; I241-I284 HydrophobicContact CG2-CG2 4.49Å
242G96.9Very high89.3Confident0 Ų047.9 Ų47.90%030%0.297CS..EExtended strand (participates in β ladder)trans-121141.9169.500000111.5I284 V286G242-I284 PolarHBondContact N-O 2.71Å; G242-V286 PolarHBondContact O-N 2.86Å
243V98.1Very high89.1Confident0 Ų048.3 Ų48.30%030%0.3CS..EExtended strand (participates in β ladder)trans-108.4127.4171.2-174.70000110.1A221 S225 Q245 L257 V263 P264 V265 Y266 V286A221-V243 HydrophobicContact CB-CG1 4.44Å; S225-V243 WeakPolarHBondContact OG-CG2 3.35Å; V243-Q245 HydrophobicContact CG1-CG 4.19Å; V243-L257 HydrophobicContact CB-CD1 4.01Å; V243-L257 HydrophobicContact CG1-CD1 3.7Å; V243-L257 HydrophobicContact CG2-CD1 4.22Å; V243-L257 HydrophobicContact CG2-CD2 3.95Å; V243-V263 HydrophobicContact CG2-CG1 3.84Å; V243-P264 PolarHBondContact N-O 3.47Å; V243-V265 HydrophobicContact CB-CG2 4.47Å; V243-V265 CarbonylContact O-C 3.45Å; V243-V265 VanDerWaalsContact O-CA 3.28Å; V243-V265 WeakPolarHBondContact O-CA 3.27Å; V243-Y266 PolarHBondContact O-N 2.96Å; V243-V286 CarbonylContact C-O 3.48Å; V243-V286 VanDerWaalsContact CA-O 3.27Å; V243-V286 WeakPolarHBondContact CA-O 3.44Å; V243-V286 HydrophobicContact CG2-CB 4.4Å
244V97.3Very high88.8Confident0 Ų045.2 Ų45.20%028%0.281CS..EExtended strand (participates in β ladder)trans-109123.2178.3-168.70000109.9Y266 T268 L275 K278 A279 F282 V286 Y287V244-Y266 CarbonylContact C-O 3.45Å; V244-Y266 WeakPolarHBondContact CA-O 3.2Å; V244-T268 HydrophobicContact CG1-CG2 3.54Å; V244-L275 HydrophobicContact CG1-CB 4.25Å; V244-L275 HydrophobicContact CG1-CG 4.3Å; V244-K278 HydrophobicContact CG1-CB 3.98Å; V244-K278 HydrophobicContact CG1-CG 4.01Å; V244-K278 HydrophobicContact CG2-CB 4.04Å; V244-K278 HydrophobicContact CG2-CG 3.78Å; V244-A279 HydrophobicContact CG2-CB 4.01Å; V244-F282 HydrophobicContact CG2-CE2 4.24Å; V244-V286 PolarHBondContact N-O 2.98Å; V244-Y287 WeakPolarHBondContact O-CA 3.32Å
245Q91.1Very high88.9Confident4 Ų448.3 Ų48.32%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-120.1174.4180-63.9-169.2-6500110.6D218 V243 A249 S253 T254 V265 Y266 C267 T268D218-Q245 PolarHBondContact OD1-NE2 2.94Å; D218-Q245 VanDerWaalsContact OD1-NE2 3.15Å; V243-Q245 HydrophobicContact CG1-CG 4.19Å; Q245-A249 HydrophobicContact CB-CB 3.87Å; Q245-A249 HydrophobicContact CG-CB 4.21Å; Q245-S253 PolarHBondContact NE2-OG 3.44Å; Q245-T254 PolarHBondContact OE1-OG1 3.24Å; Q245-V265 HydrophobicContact CB-CG1 4.49Å; Q245-V265 HydrophobicContact CG-CG1 4.08Å; Q245-Y266 PolarHBondContact N-O 3.15Å; Q245-C267 WeakPolarHBondContact O-CA 3.34Å; Q245-T268 PolarHBondContact O-N 3.48Å; Q245-T268 PolarHBondContact O-OG1 3.17Å
246T82.9Confident89Confident5 Ų552.4 Ų52.43%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-115.5174.1167.568.70000109.7Y248 A249 C267 L275 E289T246-Y248 PolarHBondContact O-N 3.34Å; T246-Y248 PolarHBondContact OG1-N 3.31Å; T246-A249 VanDerWaalsContact O-CB 3.3Å; T246-A249 WeakPolarHBondContact O-CB 3.21Å; T246-A249 PolarHBondContact O-N 3.1Å; T246-C267 VanDerWaalsContact C-SG 3.54Å; T246-L275 HydrophobicContact CG2-CD1 3.68Å; T246-L275 HydrophobicContact CG2-CD2 4.07Å; T246-L275 HydrophobicContact CG2-CG 4.13Å; T246-E289 HydrophobicContact CG2-CG 4Å
247A81.6Confident89.2Confident87 Ų8749.7 Ų49.772%0.71928%0.278SS*.THydrogen-bonded Turntrans-61.1-1517600000114.2A249 C267A247-A249 VanDerWaalsContact C-N 3.25Å; A247-A249 PolarHBondContact O-N 3.31Å; A247-C267 PolarHBondContact N-SG 2.95Å; A247-C267 VanDerWaalsContact N-SG 3.44Å
248Y75.3Confident89.4Confident171 Ų17151.7 Ų51.767%0.67129%0.287SS*.THydrogen-bonded Turntrans-79-8175.5-68-75.5000113.7T246 T270T246-Y248 PolarHBondContact O-N 3.34Å; T246-Y248 PolarHBondContact OG1-N 3.31Å; Y248-T270 HydrophobicContact CE2-CG2 4.29Å; Y248-T270 WeakPolarHBondContact CE2-OG1 3.41Å
249A81.9Confident89.8Confident17 Ų1751.3 Ų51.314%0.1427%0.271CS..SBendtrans-65.1141.3179.400000111.7D218 Q245 T246 A247 G251D218-A249 VanDerWaalsContact OD1-CB 3.28Å; D218-A249 WeakPolarHBondContact OD1-CB 3.45Å; D218-A249 WeakPolarHBondContact OD2-CA 3.39Å; Q245-A249 HydrophobicContact CB-CB 3.87Å; Q245-A249 HydrophobicContact CG-CB 4.21Å; T246-A249 VanDerWaalsContact O-CB 3.3Å; T246-A249 WeakPolarHBondContact O-CB 3.21Å; T246-A249 PolarHBondContact O-N 3.1Å; A247-A249 VanDerWaalsContact C-N 3.25Å; A247-A249 PolarHBondContact O-N 3.31Å; A249-G251 PolarHBondContact O-N 2.88Å
250N80.9Confident90Very high95 Ų9554.6 Ų54.651%0.50829%0.293SS..  trans-65.9123.6173.2-172.4-69.3000109.5D218 S252 S253 T254D218-N250 PolarHBondContact OD2-N 3.39Å; N250-S252 PolarHBondContact O-N 2.9Å; N250-S252 WeakPolarHBondContact OD1-CB 3.36Å; N250-S252 PolarHBondContact OD1-N 3.21Å; N250-S252 PolarHBondContact OD1-OG 2.9Å; N250-S253 WeakPolarHBondContact O-CA 3.32Å; N250-S253 WeakPolarHBondContact O-CB 3.49Å; N250-S253 PolarHBondContact O-N 3.33Å; N250-S253 PolarHBondContact O-OG 2.94Å; N250-T254 PolarHBondContact O-N 2.82Å
251G78.4Confident90.1Very high44 Ų4452 Ų5245%0.45428%0.278SS..Hα-helixtrans-59.1-19-17800000115A249 R255A249-G251 PolarHBondContact O-N 2.88Å; G251-R255 WeakPolarHBondContact O-CG 3.41Å; G251-R255 PolarHBondContact O-N 3.27Å
252S89.1Confident90.1Very high59 Ų5958.3 Ų58.341%0.41331%0.305SS..Hα-helixtrans-73.5-30.2171.6-52.60000112.7N250 R255 Y256N250-S252 PolarHBondContact O-N 2.9Å; N250-S252 WeakPolarHBondContact OD1-CB 3.36Å; N250-S252 PolarHBondContact OD1-N 3.21Å; N250-S252 PolarHBondContact OD1-OG 2.9Å; S252-R255 PolarHBondContact OG-NH2 3.17Å; S252-Y256 VanDerWaalsContact O-CB 3.29Å; S252-Y256 WeakPolarHBondContact O-CB 3.44Å; S252-Y256 PolarHBondContact O-N 3.41Å
253S90.4Very high89.9Confident13 Ų1358.6 Ų58.69%0.09131%0.307CS..Hα-helixtrans-65.6-44.8171.672.60000110.9Q245 N250 Y256 L257Q245-S253 PolarHBondContact NE2-OG 3.44Å; N250-S253 WeakPolarHBondContact O-CA 3.32Å; N250-S253 WeakPolarHBondContact O-CB 3.49Å; N250-S253 PolarHBondContact O-N 3.33Å; N250-S253 PolarHBondContact O-OG 2.94Å; S253-Y256 PolarHBondContact O-N 3.44Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.47Å
254T88.8Confident89.7Confident36 Ų3661 Ų6122%0.22132%0.322CS..Hα-helixtrans-59.2-51.4175-49.50000111.1Q245 N250 Y256 L257 E258 V265Q245-T254 PolarHBondContact OE1-OG1 3.24Å; N250-T254 PolarHBondContact O-N 2.82Å; T254-Y256 VanDerWaalsContact C-N 3.33Å; T254-Y256 PolarHBondContact O-N 2.92Å; T254-L257 PolarHBondContact O-N 3.17Å; T254-L257 VanDerWaalsContact O-N 3.14Å; T254-E258 WeakPolarHBondContact O-CG 3.42Å; T254-E258 PolarHBondContact O-N 3.15Å; T254-V265 HydrophobicContact CG2-CB 4.32Å; T254-V265 HydrophobicContact CG2-CG1 4.06Å
255R94.5Very high89.7Confident132 Ų13261.9 Ų61.950%0.49833%0.328SS..Hα-helixtrans-59.5-41.2176.3-73.8-174.5-62.8154.82.1112.7G251 S252 L257 E258 E259G251-R255 WeakPolarHBondContact O-CG 3.41Å; G251-R255 PolarHBondContact O-N 3.27Å; S252-R255 PolarHBondContact OG-NH2 3.17Å; R255-L257 VanDerWaalsContact C-N 3.33Å; R255-L257 PolarHBondContact O-N 2.8Å; R255-E258 PolarHBondContact O-N 3.45Å; R255-E259 WeakPolarHBondContact O-CA 3.4Å; R255-E259 WeakPolarHBondContact O-CB 3.44Å; R255-E259 WeakPolarHBondContact O-CG 3.43Å; R255-E259 PolarHBondContact O-N 3.35Å
256Y96Very high89.9Confident94 Ų9466 Ų6637%0.36934%0.344SS..Iπ-helixtrans-60.3-44.9176.1176.1-98.9000111.5T222 S252 S253 T254 V260 M261T222-Y256 HydrophobicContact CG2-CD1 4.06Å; S252-Y256 VanDerWaalsContact O-CB 3.29Å; S252-Y256 WeakPolarHBondContact O-CB 3.44Å; S252-Y256 PolarHBondContact O-N 3.41Å; S253-Y256 PolarHBondContact O-N 3.44Å; T254-Y256 VanDerWaalsContact C-N 3.33Å; T254-Y256 PolarHBondContact O-N 2.92Å; Y256-V260 HydrophobicContact CD2-CB 3.83Å; Y256-V260 HydrophobicContact CD2-CG1 4.17Å; Y256-V260 HydrophobicContact CD2-CG2 3.86Å; Y256-V260 HydrophobicContact CE2-CB 3.97Å; Y256-V260 HydrophobicContact CE2-CG1 3.79Å; Y256-V260 HydrophobicContact CE2-CG2 4.32Å; Y256-V260 HydrophobicContact CG-CB 4.49Å; Y256-V260 WeakPolarHBondContact O-CA 3.41Å; Y256-V260 VanDerWaalsContact O-CB 3.28Å; Y256-V260 WeakPolarHBondContact O-CB 3.38Å; Y256-V260 PolarHBondContact O-N 3.26Å; Y256-M261 HydrophobicContact CD1-CG 3.99Å; Y256-M261 HydrophobicContact CE1-CG 3.47Å; Y256-M261 VanDerWaalsContact CE1-CG 3.47Å; Y256-M261 HydrophobicContact CE1-SD 4.19Å; Y256-M261 PolarHBondContact O-N 3.39Å
257L95.1Very high90.2Very high0 Ų070.2 Ų70.20%037%0.372CS..Iπ-helixtrans-63.6-45.3178.6-72.2166.2000112.4T222 V243 S253 T254 R255 M261 K262 V263 V265T222-L257 HydrophobicContact CG2-CD1 4.04Å; T222-L257 HydrophobicContact CG2-CD2 3.96Å; T222-L257 HydrophobicContact CG2-CG 3.85Å; V243-L257 HydrophobicContact CB-CD1 4.01Å; V243-L257 HydrophobicContact CG1-CD1 3.7Å; V243-L257 HydrophobicContact CG2-CD1 4.22Å; V243-L257 HydrophobicContact CG2-CD2 3.95Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.47Å; T254-L257 PolarHBondContact O-N 3.17Å; T254-L257 VanDerWaalsContact O-N 3.14Å; R255-L257 VanDerWaalsContact C-N 3.33Å; R255-L257 PolarHBondContact O-N 2.8Å; L257-M261 CarbonylContact O-C 3.59Å; L257-M261 VanDerWaalsContact O-CB 3.32Å; L257-M261 WeakPolarHBondContact O-CB 3.47Å; L257-K262 PolarHBondContact O-N 2.82Å; L257-V263 PolarHBondContact O-N 3.4Å; L257-V265 HydrophobicContact CB-CG2 3.39Å; L257-V265 HydrophobicContact CD1-CG2 3.91Å; L257-V265 HydrophobicContact CG-CG2 4.28Å
258E94Very high90.5Very high90 Ų9067.5 Ų67.542%0.42135%0.347SS..Iπ-helixtrans-78.3-47.1-177.1-65.8-178.9144.400112.5T254 R255 K262 V265T254-E258 WeakPolarHBondContact O-CG 3.42Å; T254-E258 PolarHBondContact O-N 3.15Å; R255-E258 PolarHBondContact O-N 3.45Å; E258-K262 WeakPolarHBondContact O-CA 3.42Å; E258-K262 WeakPolarHBondContact O-CD 2.99Å; E258-V265 HydrophobicContact CG-CB 4.03Å; E258-V265 HydrophobicContact CG-CG2 3.64Å
259E96.4Very high90.6Very high115 Ų11566.9 Ų66.954%0.53735%0.348SS..Iπ-helixtrans-88.3-37.7-169.4-58178.4-164.700112.7R255 K262R255-E259 WeakPolarHBondContact O-CA 3.4Å; R255-E259 WeakPolarHBondContact O-CB 3.44Å; R255-E259 WeakPolarHBondContact O-CG 3.43Å; R255-E259 PolarHBondContact O-N 3.35Å; E259-K262 WeakPolarHBondContact O-CD 3.46Å; E259-K262 WeakPolarHBondContact O-CE 3.42Å; E259-K262 PolarHBondContact O-NZ 3.34Å
260V94.4Very high90.1Very high97 Ų9769.8 Ų69.859%0.58836%0.364SS*.Iπ-helixtrans-95.6-56.9-178.4-176.60000110Y256 K262Y256-V260 HydrophobicContact CD2-CB 3.83Å; Y256-V260 HydrophobicContact CD2-CG1 4.17Å; Y256-V260 HydrophobicContact CD2-CG2 3.86Å; Y256-V260 HydrophobicContact CE2-CB 3.97Å; Y256-V260 HydrophobicContact CE2-CG1 3.79Å; Y256-V260 HydrophobicContact CE2-CG2 4.32Å; Y256-V260 HydrophobicContact CG-CB 4.49Å; Y256-V260 WeakPolarHBondContact O-CA 3.41Å; Y256-V260 VanDerWaalsContact O-CB 3.28Å; Y256-V260 WeakPolarHBondContact O-CB 3.38Å; Y256-V260 PolarHBondContact O-N 3.26Å; V260-K262 VanDerWaalsContact C-N 3.28Å; V260-K262 PolarHBondContact O-N 3.33Å
261M93.3Very high89.8Confident21 Ų2166.3 Ų66.310%0.10335%0.35CS..SBendtrans-74.7-18.6-176.6-70.7-62.3-60.200112.6S226 K229 Y256 L257 V263S226-M261 VanDerWaalsContact CA-CE 3.43Å; K229-M261 HydrophobicContact CB-CE 4.1Å; K229-M261 HydrophobicContact CD-CE 3.78Å; K229-M261 HydrophobicContact CG-CE 4.45Å; K229-M261 PolarHBondContact NZ-O 3.23Å; Y256-M261 HydrophobicContact CD1-CG 3.99Å; Y256-M261 HydrophobicContact CE1-CG 3.47Å; Y256-M261 VanDerWaalsContact CE1-CG 3.47Å; Y256-M261 HydrophobicContact CE1-SD 4.19Å; Y256-M261 PolarHBondContact O-N 3.39Å; L257-M261 CarbonylContact O-C 3.59Å; L257-M261 VanDerWaalsContact O-CB 3.32Å; L257-M261 WeakPolarHBondContact O-CB 3.47Å; M261-V263 VanDerWaalsContact C-N 3.29Å; M261-V263 HydrophobicContact CB-CG2 4.13Å; M261-V263 PolarHBondContact O-N 2.75Å
262K94.7Very high90.2Very high145 Ų14565.7 Ų65.763%0.6334%0.338SS*.  trans52.648.2-176-52.9-51.9-166.8-167.70111.7K229 L257 E258 E259 V260K229-K262 PolarHBondContact NZ-O 3Å; L257-K262 PolarHBondContact O-N 2.82Å; E258-K262 WeakPolarHBondContact O-CA 3.42Å; E258-K262 WeakPolarHBondContact O-CD 2.99Å; E259-K262 WeakPolarHBondContact O-CD 3.46Å; E259-K262 WeakPolarHBondContact O-CE 3.42Å; E259-K262 PolarHBondContact O-NZ 3.34Å; V260-K262 VanDerWaalsContact C-N 3.28Å; V260-K262 PolarHBondContact O-N 3.33Å
263V93.3Very high89.9Confident6 Ų666.4 Ų66.44%0.03633%0.334CS..  trans-117.2131.8176.1175.10000107.8K229 I241 V243 L257 M261 V265K229-V263 HydrophobicContact CD-CG2 4.05Å; I241-V263 HydrophobicContact CB-CG1 4.32Å; I241-V263 HydrophobicContact CG2-CG1 4.12Å; I241-V263 WeakPolarHBondContact O-CG1 3.25Å; V243-V263 HydrophobicContact CG2-CG1 3.84Å; L257-V263 PolarHBondContact O-N 3.4Å; M261-V263 VanDerWaalsContact C-N 3.29Å; M261-V263 HydrophobicContact CB-CG2 4.13Å; M261-V263 PolarHBondContact O-N 2.75Å; V263-V265 PolarHBondContact O-N 3.45Å
264P95.1Very high89.5Confident49 Ų4969.1 Ų69.132%0.31835%0.345SS..  trans-64.8135.817828.6-37000111.1I241 V243 Y266I241-P264 VanDerWaalsContact O-CD 3.24Å; I241-P264 WeakPolarHBondContact O-CD 3.28Å; I241-P264 WeakPolarHBondContact O-CG 3.21Å; V243-P264 PolarHBondContact N-O 3.47Å; P264-Y266 HydrophobicContact CB-CE2 3.84Å; P264-Y266 HydrophobicContact CG-CE2 4.44Å
265V96.2Very high89.5Confident20 Ų2067.5 Ų67.512%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-116137.3178.8-174.10000110.1V243 Q245 T254 L257 E258 V263V243-V265 HydrophobicContact CB-CG2 4.47Å; V243-V265 CarbonylContact O-C 3.45Å; V243-V265 VanDerWaalsContact O-CA 3.28Å; V243-V265 WeakPolarHBondContact O-CA 3.27Å; Q245-V265 HydrophobicContact CB-CG1 4.49Å; Q245-V265 HydrophobicContact CG-CG1 4.08Å; T254-V265 HydrophobicContact CG2-CB 4.32Å; T254-V265 HydrophobicContact CG2-CG1 4.06Å; L257-V265 HydrophobicContact CB-CG2 3.39Å; L257-V265 HydrophobicContact CD1-CG2 3.91Å; L257-V265 HydrophobicContact CG-CG2 4.28Å; E258-V265 HydrophobicContact CG-CB 4.03Å; E258-V265 HydrophobicContact CG-CG2 3.64Å; V263-V265 PolarHBondContact O-N 3.45Å
266Y95.8Very high89.2Confident90 Ų9062.6 Ų62.635%0.35332%0.317SS..EExtended strand (participates in β ladder)trans-124.9131.6178.3-65.7-93.5000110.7V243 V244 Q245 P264 K278 F282V243-Y266 PolarHBondContact O-N 2.96Å; V244-Y266 CarbonylContact C-O 3.45Å; V244-Y266 WeakPolarHBondContact CA-O 3.2Å; Q245-Y266 PolarHBondContact N-O 3.15Å; P264-Y266 HydrophobicContact CB-CE2 3.84Å; P264-Y266 HydrophobicContact CG-CE2 4.44Å; Y266-K278 HydrophobicContact CG-CG 4.45Å; Y266-F282 HydrophobicContact CD2-CE1 4.13Å; Y266-F282 HydrophobicContact CD2-CE2 4.09Å; Y266-F282 AromaticContact CD2-CZ 3.36Å; Y266-F282 HydrophobicContact CD2-CZ 3.36Å; Y266-F282 AromaticContact CE2-CE1 3.48Å; Y266-F282 HydrophobicContact CE2-CE1 3.48Å; Y266-F282 VanDerWaalsContact CE2-CE1 3.48Å; Y266-F282 HydrophobicContact CE2-CE2 4.24Å; Y266-F282 AromaticContact CE2-CZ 3.12Å; Y266-F282 HydrophobicContact CE2-CZ 3.12Å; Y266-F282 HydrophobicContact CG-CZ 4.27Å; Y266-F282 AromaticContact CZ-CZ 3.86Å
267C90Very high88.8Confident93 Ų9362.4 Ų62.463%0.62832%0.319SS*.EExtended strand (participates in β ladder)trans-95.6129.4173.6-1720000110.2Q245 T246 A247Q245-C267 WeakPolarHBondContact O-CA 3.34Å; T246-C267 VanDerWaalsContact C-SG 3.54Å; A247-C267 PolarHBondContact N-SG 2.95Å; A247-C267 VanDerWaalsContact N-SG 3.44Å
268T86.9Confident88.5Confident31 Ų3164.1 Ų64.119%0.1933%0.327CS..EExtended strand (participates in β ladder)trans-122.8174.2177.365.50000111.5V244 Q245 K278V244-T268 HydrophobicContact CG1-CG2 3.54Å; Q245-T268 PolarHBondContact O-N 3.48Å; Q245-T268 PolarHBondContact O-OG1 3.17Å; T268-K278 HydrophobicContact CG2-CB 3.74Å; T268-K278 HydrophobicContact CG2-CG 3.94Å
269K76.9Confident88.4Confident157 Ų15759.8 Ų59.868%0.68331%0.307SS*.  trans-63.3148.6169.8-65.8-179.3-179.2179.50110.1H274K269-H274 HydrophobicContact CB-CB 4.38Å; K269-H274 WeakPolarHBondContact O-CB 3.24Å
270T72.8Confident88.1Confident78 Ų7857.1 Ų57.148%0.47929%0.294SS..SBendtrans-57143.7173.1-540000111.4Y248 H274 E289Y248-T270 HydrophobicContact CE2-CG2 4.29Å; Y248-T270 WeakPolarHBondContact CE2-OG1 3.41Å; T270-H274 PolarHBondContact O-CD2 3.25Å; T270-E289 VanDerWaalsContact CG2-OE1 3.24Å; T270-E289 WeakPolarHBondContact CG2-OE1 3.43Å
271G74.9Confident87.8Confident22 Ų2257.8 Ų57.823%0.22729%0.291CS..SBendtrans109.4124.1-179.300000111.7K273 H274 L275 E289G271-K273 PolarHBondContact O-N 3.16Å; G271-H274 PolarHBondContact O-N 3.05Å; G271-L275 WeakPolarHBondContact O-CD1 3.39Å; G271-E289 PolarHBondContact N-OE1 3.46Å
272V84.9Confident87.7Confident31 Ų3157.4 Ų57.419%0.18829%0.289CS..Hα-helixtrans-42.8-35.4-178.4-146.40000113.9H274 L275 H276 Y287 H293V272-H274 VanDerWaalsContact C-N 3.28Å; V272-H274 PolarHBondContact O-N 2.8Å; V272-L275 PolarHBondContact O-N 2.87Å; V272-H276 WeakPolarHBondContact O-CB 3.24Å; V272-H276 PolarHBondContact O-N 3.24Å; V272-Y287 HydrophobicContact CG1-CE2 3.5Å; V272-H293 WeakPolarHBondContact CG1-NE2 3.41Å; V272-H293 VanDerWaalsContact CG2-NE2 3.32Å; V272-H293 WeakPolarHBondContact CG2-NE2 3.35Å
273K83.2Confident87.6Confident75 Ų7553.1 Ų53.133%0.32627%0.273SS..Hα-helixtrans-59.8-35.117972.1-175.4-172.8-176.40113.8E7 G271 H277E7-K273 IonicContact OE1-NZ 3.82Å; E7-K273 PolarHBondContact OE1-NZ 2.83Å; E7-K273 IonicContact OE2-NZ 3.45Å; E7-K273 PolarHBondContact OE2-NZ 3.15Å; E7-K273 VanDerWaalsContact OE2-NZ 3.13Å; G271-K273 PolarHBondContact O-N 3.16Å; K273-H277 WeakPolarHBondContact O-CB 3.48Å; K273-H277 PolarHBondContact O-N 3.38Å
274H82.1Confident87.8Confident70 Ų7052.8 Ų52.832%0.32427%0.271SS..Hα-helixtrans-80.4-41.7178.3-62.6-61000111.5K269 T270 G271 V272 K278K269-H274 HydrophobicContact CB-CB 4.38Å; K269-H274 WeakPolarHBondContact O-CB 3.24Å; T270-H274 PolarHBondContact O-CD2 3.25Å; G271-H274 PolarHBondContact O-N 3.05Å; V272-H274 VanDerWaalsContact C-N 3.28Å; V272-H274 PolarHBondContact O-N 2.8Å; H274-K278 PolarHBondContact O-N 3.08Å
275L88.4Confident87.9Confident1 Ų150.5 Ų50.51%0.00526%0.256CS..Hα-helixtrans-62.9-48177.5-70.384.1000110.9V244 T246 G271 V272 H277 K278 A279 Y287 E289V244-L275 HydrophobicContact CG1-CB 4.25Å; V244-L275 HydrophobicContact CG1-CG 4.3Å; T246-L275 HydrophobicContact CG2-CD1 3.68Å; T246-L275 HydrophobicContact CG2-CD2 4.07Å; T246-L275 HydrophobicContact CG2-CG 4.13Å; G271-L275 WeakPolarHBondContact O-CD1 3.39Å; V272-L275 PolarHBondContact O-N 2.87Å; L275-H277 PolarHBondContact O-N 3.42Å; L275-K278 PolarHBondContact O-N 3.1Å; L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.42Å; L275-Y287 HydrophobicContact CB-CD2 3.52Å; L275-Y287 HydrophobicContact CB-CE2 4.21Å; L275-Y287 HydrophobicContact CB-CG 3.85Å; L275-Y287 HydrophobicContact CD2-CD2 3.9Å; L275-Y287 HydrophobicContact CD2-CG 4.45Å; L275-Y287 HydrophobicContact CG-CD2 4.36Å; L275-E289 HydrophobicContact CD1-CG 4.11Å; L275-E289 HydrophobicContact CD2-CG 3.75Å
276H89.5Confident88Confident29 Ų2949.5 Ų49.513%0.13425%0.25CS..Hα-helixtrans-58.6-48179.5-171.396.2000111.7V272 K278 A279 Q280 Y287V272-H276 WeakPolarHBondContact O-CB 3.24Å; V272-H276 PolarHBondContact O-N 3.24Å; H276-K278 VanDerWaalsContact C-N 3.31Å; H276-K278 PolarHBondContact O-N 3.42Å; H276-A279 PolarHBondContact O-N 3.47Å; H276-A279 VanDerWaalsContact O-N 3.17Å; H276-Q280 PolarHBondContact CD2-NE2 2.97Å; H276-Q280 PolarHBondContact NE2-NE2 3.16Å; H276-Q280 WeakPolarHBondContact O-CG 3.4Å; H276-Q280 PolarHBondContact O-N 2.93Å; H276-Y287 HydrophobicContact CB-CE1 4.22Å; H276-Y287 AromaticContact ND1-CE1 3.85Å; H276-Y287 AromaticContact ND1-CZ 3.8Å; H276-Y287 PolarHBondContact ND1-OH 3.03Å; H276-Y287 VanDerWaalsContact ND1-OH 3.15Å
277H86.3Confident88Confident90 Ų9045.9 Ų45.942%0.41724%0.236SC..Hα-helixtrans-58-43.7178.4-178.2-76.7000112.2K273 L275K273-H277 WeakPolarHBondContact O-CB 3.48Å; K273-H277 PolarHBondContact O-N 3.38Å; L275-H277 PolarHBondContact O-N 3.42Å
278K88.8Confident88.4Confident36 Ų3641.9 Ų41.916%0.15721%0.208CC..Hα-helixtrans-70.5-36.9178.8-177.354.6174.8176.60111.8V244 Y266 T268 H274 L275 H276 Q280 E281 F282V244-K278 HydrophobicContact CG1-CB 3.98Å; V244-K278 HydrophobicContact CG1-CG 4.01Å; V244-K278 HydrophobicContact CG2-CB 4.04Å; V244-K278 HydrophobicContact CG2-CG 3.78Å; Y266-K278 HydrophobicContact CG-CG 4.45Å; T268-K278 HydrophobicContact CG2-CB 3.74Å; T268-K278 HydrophobicContact CG2-CG 3.94Å; H274-K278 PolarHBondContact O-N 3.08Å; L275-K278 PolarHBondContact O-N 3.1Å; H276-K278 VanDerWaalsContact C-N 3.31Å; H276-K278 PolarHBondContact O-N 3.42Å; K278-Q280 PolarHBondContact O-N 3.16Å; K278-E281 HydrophobicContact CD-CG 4.5Å; K278-E281 VanDerWaalsContact CD-OE1 3.23Å; K278-E281 WeakPolarHBondContact CD-OE1 3.21Å; K278-E281 VanDerWaalsContact NZ-CD 3.35Å; K278-E281 IonicContact NZ-OE1 3.94Å; K278-E281 PolarHBondContact NZ-OE1 2.92Å; K278-E281 IonicContact NZ-OE2 3.58Å; K278-E281 PolarHBondContact NZ-OE2 3.27Å; K278-E281 WeakPolarHBondContact O-CB 3.49Å; K278-E281 PolarHBondContact O-N 2.76Å; K278-F282 HydrophobicContact CG-CE2 4.43Å; K278-F282 WeakPolarHBondContact O-CD2 3.08Å; K278-F282 WeakPolarHBondContact O-CE2 3.35Å
279A92.8Very high88.6Confident0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-64-25.4-178.800000112.9V244 L275 H276 E281 F282 G285 Y287 L297V244-A279 HydrophobicContact CG2-CB 4.01Å; L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.42Å; H276-A279 PolarHBondContact O-N 3.47Å; H276-A279 VanDerWaalsContact O-N 3.17Å; A279-E281 VanDerWaalsContact C-N 3.26Å; A279-E281 PolarHBondContact O-N 3.49Å; A279-F282 WeakPolarHBondContact O-CD2 3.37Å; A279-F282 PolarHBondContact O-N 3Å; A279-G285 VanDerWaalsContact O-CA 3.29Å; A279-G285 WeakPolarHBondContact O-CA 3.25Å; A279-Y287 HydrophobicContact CB-CD1 3.56Å; A279-Y287 HydrophobicContact CB-CE1 4.28Å; A279-Y287 HydrophobicContact CB-CG 4.34Å; A279-L297 HydrophobicContact CB-CD1 3.93Å
280Q89.3Confident89Confident58 Ų5833.9 Ų33.927%0.27117%0.172SC..THydrogen-bonded Turntrans-72.5-15.8178-68.2162.8-34.400114.4H276 K278 F282 L297 D336H276-Q280 PolarHBondContact CD2-NE2 2.97Å; H276-Q280 PolarHBondContact NE2-NE2 3.16Å; H276-Q280 WeakPolarHBondContact O-CG 3.4Å; H276-Q280 PolarHBondContact O-N 2.93Å; K278-Q280 PolarHBondContact O-N 3.16Å; Q280-F282 PolarHBondContact O-N 3.47Å; Q280-L297 HydrophobicContact CG-CD1 3.74Å; Q280-D336 PolarHBondContact NE2-OD2 2.95Å; Q280-D336 PolarHBondContact OE1-OD2 3.45Å; Q280-D336 VanDerWaalsContact OE1-OD2 3.07Å
281E87.8Confident89.7Confident111 Ų11131.9 Ų31.952%0.51916%0.158SC..THydrogen-bonded Turntrans-72.6-5.2177.1-61.8177.4-148.400112.7K278 A279K278-E281 HydrophobicContact CD-CG 4.5Å; K278-E281 VanDerWaalsContact CD-OE1 3.23Å; K278-E281 WeakPolarHBondContact CD-OE1 3.21Å; K278-E281 VanDerWaalsContact NZ-CD 3.35Å; K278-E281 IonicContact NZ-OE1 3.94Å; K278-E281 PolarHBondContact NZ-OE1 2.92Å; K278-E281 IonicContact NZ-OE2 3.58Å; K278-E281 PolarHBondContact NZ-OE2 3.27Å; K278-E281 WeakPolarHBondContact O-CB 3.49Å; K278-E281 PolarHBondContact O-N 2.76Å; A279-E281 VanDerWaalsContact C-N 3.26Å; A279-E281 PolarHBondContact O-N 3.49Å
282F92.4Very high90.6Very high13 Ų1331 Ų316%0.05715%0.148CC..SBendtrans-110.9155.7-177.4-54.4-76000111.3V244 Y266 K278 A279 Q280 I284V244-F282 HydrophobicContact CG2-CE2 4.24Å; Y266-F282 HydrophobicContact CD2-CE1 4.13Å; Y266-F282 HydrophobicContact CD2-CE2 4.09Å; Y266-F282 AromaticContact CD2-CZ 3.36Å; Y266-F282 HydrophobicContact CD2-CZ 3.36Å; Y266-F282 AromaticContact CE2-CE1 3.48Å; Y266-F282 HydrophobicContact CE2-CE1 3.48Å; Y266-F282 VanDerWaalsContact CE2-CE1 3.48Å; Y266-F282 HydrophobicContact CE2-CE2 4.24Å; Y266-F282 AromaticContact CE2-CZ 3.12Å; Y266-F282 HydrophobicContact CE2-CZ 3.12Å; Y266-F282 HydrophobicContact CG-CZ 4.27Å; Y266-F282 AromaticContact CZ-CZ 3.86Å; K278-F282 HydrophobicContact CG-CE2 4.43Å; K278-F282 WeakPolarHBondContact O-CD2 3.08Å; K278-F282 WeakPolarHBondContact O-CE2 3.35Å; A279-F282 WeakPolarHBondContact O-CD2 3.37Å; A279-F282 PolarHBondContact O-N 3Å; Q280-F282 PolarHBondContact O-N 3.47Å; F282-I284 WeakPolarHBondContact CB-O 3.41Å; F282-I284 PolarHBondContact O-N 2.94Å
283D92.4Very high91.1Very high55 Ų5531 Ų3129%0.29415%0.147SC..SBendtrans-58.2-40.9168.2-76.2-33.2000110.4L239 N240 S299 V302L239-D283 HydrophobicContact CB-CB 4.07Å; N240-D283 HydrophobicContact CB-CB 4.33Å; N240-D283 WeakPolarHBondContact CB-OD2 3.4Å; N240-D283 PolarHBondContact N-OD2 2.89Å; N240-D283 WeakPolarHBondContact O-CB 3.48Å; N240-D283 PolarHBondContact O-N 3.1Å; N240-D283 VanDerWaalsContact O-N 3.11Å; D283-S299 PolarHBondContact O-N 3.45Å; D283-V302 HydrophobicContact CB-CG2 3.64Å
284I96.7Very high91.7Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-134.3112.8173-55.5-178.2000108.6L228 L232 L239 N240 I241 G242 F282 V286 L297 F298 V302L228-I284 HydrophobicContact CD1-CG2 3.95Å; L232-I284 HydrophobicContact CD1-CD1 3.66Å; L239-I284 HydrophobicContact CD1-CD1 4.14Å; N240-I284 PolarHBondContact O-N 3.23Å; I241-I284 CarbonylContact C-O 3.41Å; I241-I284 WeakPolarHBondContact CA-O 3.31Å; I241-I284 HydrophobicContact CG1-CB 4.28Å; I241-I284 HydrophobicContact CG1-CD1 4.45Å; I241-I284 HydrophobicContact CG2-CB 4.49Å; I241-I284 HydrophobicContact CG2-CG2 4.49Å; G242-I284 PolarHBondContact N-O 2.71Å; F282-I284 WeakPolarHBondContact CB-O 3.41Å; F282-I284 PolarHBondContact O-N 2.94Å; I284-V286 HydrophobicContact CG2-CG2 4.36Å; I284-L297 WeakPolarHBondContact CA-O 3.37Å; I284-F298 HydrophobicContact CD1-CD1 4.01Å; I284-F298 HydrophobicContact CD1-CE1 3.93Å; I284-F298 HydrophobicContact CG1-CD1 3.83Å; I284-F298 HydrophobicContact CG1-CE1 4.14Å; I284-F298 HydrophobicContact CG2-CD1 4.14Å; I284-F298 HydrophobicContact CG2-CE1 3.86Å; I284-F298 HydrophobicContact CG2-CZ 4.35Å; I284-V302 HydrophobicContact CD1-CG1 4.35Å; I284-V302 HydrophobicContact CG1-CG1 4.13Å
285G97.4Very high92.4Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-105.2110.2177.900000111.4A279 A296 L297A279-G285 VanDerWaalsContact O-CA 3.29Å; A279-G285 WeakPolarHBondContact O-CA 3.25Å; G285-A296 CarbonylContact O-C 3.5Å; G285-A296 WeakPolarHBondContact O-CA 3.23Å; G285-L297 PolarHBondContact N-O 3.1Å; G285-L297 PolarHBondContact O-N 2.79Å
286V98.1Very high92.8Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-98.1128.6173.7-176.20000108.7A221 I224 L228 G242 V243 V244 I284 F288 A296A221-V286 HydrophobicContact CB-CG1 4.24Å; I224-V286 HydrophobicContact CB-CG1 4.49Å; I224-V286 HydrophobicContact CG2-CG1 4.17Å; I224-V286 HydrophobicContact CG2-CG2 4.22Å; L228-V286 HydrophobicContact CD1-CG2 4.04Å; G242-V286 PolarHBondContact O-N 2.86Å; V243-V286 CarbonylContact C-O 3.48Å; V243-V286 VanDerWaalsContact CA-O 3.27Å; V243-V286 WeakPolarHBondContact CA-O 3.44Å; V243-V286 HydrophobicContact CG2-CB 4.4Å; V244-V286 PolarHBondContact N-O 2.98Å; I284-V286 HydrophobicContact CG2-CG2 4.36Å; V286-F288 HydrophobicContact CG1-CD2 4.13Å; V286-F288 HydrophobicContact CG1-CE2 4.1Å; V286-A296 HydrophobicContact CG2-CB 4.08Å
287Y97.4Very high93Very high14 Ų1425.4 Ų25.46%0.05513%0.13CC..EExtended strand (participates in β ladder)trans-142.2134.2176.672.9-93.6000111.7V244 V272 L275 H276 A279 G294 T295 L297V244-Y287 WeakPolarHBondContact O-CA 3.32Å; V272-Y287 HydrophobicContact CG1-CE2 3.5Å; L275-Y287 HydrophobicContact CB-CD2 3.52Å; L275-Y287 HydrophobicContact CB-CE2 4.21Å; L275-Y287 HydrophobicContact CB-CG 3.85Å; L275-Y287 HydrophobicContact CD2-CD2 3.9Å; L275-Y287 HydrophobicContact CD2-CG 4.45Å; L275-Y287 HydrophobicContact CG-CD2 4.36Å; H276-Y287 HydrophobicContact CB-CE1 4.22Å; H276-Y287 AromaticContact ND1-CE1 3.85Å; H276-Y287 AromaticContact ND1-CZ 3.8Å; H276-Y287 PolarHBondContact ND1-OH 3.03Å; H276-Y287 VanDerWaalsContact ND1-OH 3.15Å; A279-Y287 HydrophobicContact CB-CD1 3.56Å; A279-Y287 HydrophobicContact CB-CE1 4.28Å; A279-Y287 HydrophobicContact CB-CG 4.34Å; Y287-G294 CarbonylContact O-C 3.59Å; Y287-G294 WeakPolarHBondContact O-CA 3.48Å; Y287-T295 HydrophobicContact CD1-CG2 4.39Å; Y287-T295 HydrophobicContact CE1-CG2 3.47Å; Y287-T295 VanDerWaalsContact CE1-CG2 3.47Å; Y287-T295 HydrophobicContact CE2-CG2 4.36Å; Y287-T295 VanDerWaalsContact CZ-CG2 3.47Å; Y287-T295 PolarHBondContact N-O 3.11Å; Y287-T295 PolarHBondContact O-N 2.62Å; Y287-T295 VanDerWaalsContact O-O 3.1Å; Y287-T295 VanDerWaalsContact OH-CG2 3.23Å; Y287-T295 WeakPolarHBondContact OH-CG2 3.41Å; Y287-L297 HydrophobicContact CE1-CD1 4.05Å; Y287-L297 HydrophobicContact CE1-CD2 4.37Å; Y287-L297 HydrophobicContact CE1-CG 3.99Å
288F96.8Very high93.3Very high9 Ų921.7 Ų21.74%0.03911%0.113CC..EExtended strand (participates in β ladder)trans-143143.8171.6-74.1-100.8000109.6G217 I220 A221 I224 V286 H293 G294G217-F288 VanDerWaalsContact O-CB 3.25Å; G217-F288 WeakPolarHBondContact O-CB 3.14Å; I220-F288 HydrophobicContact CB-CD1 4.45Å; I220-F288 HydrophobicContact CB-CE1 4.42Å; I220-F288 HydrophobicContact CG2-CD1 4.11Å; I220-F288 HydrophobicContact CG2-CE1 3.63Å; I220-F288 HydrophobicContact CG2-CE2 4.21Å; I220-F288 HydrophobicContact CG2-CZ 3.69Å; A221-F288 HydrophobicContact CB-CB 4.07Å; A221-F288 HydrophobicContact CB-CD2 3.69Å; A221-F288 HydrophobicContact CB-CG 4.18Å; I224-F288 HydrophobicContact CD1-CE2 3.63Å; I224-F288 HydrophobicContact CD1-CZ 3.6Å; V286-F288 HydrophobicContact CG1-CD2 4.13Å; V286-F288 HydrophobicContact CG1-CE2 4.1Å; F288-H293 CarbonylContact C-O 3.38Å; F288-H293 VanDerWaalsContact CA-O 3.32Å; F288-H293 WeakPolarHBondContact CA-O 3.17Å; F288-G294 VanDerWaalsContact CD1-CA 3.49Å
289E92.2Very high93.3Very high13 Ų1321.7 Ų21.76%0.06112%0.117CC..  trans-87.4150.4161.3-66.2-168.513200109.6G217 T246 T270 G271 L275 N291 G292 H293G217-E289 WeakPolarHBondContact CA-O 3.41Å; T246-E289 HydrophobicContact CG2-CG 4Å; T270-E289 VanDerWaalsContact CG2-OE1 3.24Å; T270-E289 WeakPolarHBondContact CG2-OE1 3.43Å; G271-E289 PolarHBondContact N-OE1 3.46Å; L275-E289 HydrophobicContact CD1-CG 4.11Å; L275-E289 HydrophobicContact CD2-CG 3.75Å; E289-N291 VanDerWaalsContact CB-OD1 3.25Å; E289-N291 WeakPolarHBondContact CB-OD1 3.25Å; E289-N291 PolarHBondContact O-N 3.29Å; E289-N291 PolarHBondContact OE2-ND2 2.95Å; E289-N291 VanDerWaalsContact OE2-ND2 3.12Å; E289-G292 PolarHBondContact O-N 3.44Å; E289-H293 PolarHBondContact N-O 2.99Å
290A83.9Confident92.9Very high6 Ų625.7 Ų25.75%0.0514%0.142CC..THydrogen-bonded Turntrans-60.6-13.3-18000000113.9K174 D216 G292K174-A290 WeakPolarHBondContact CD-O 3.17Å; K174-A290 WeakPolarHBondContact CE-O 3.07Å; D216-A290 WeakPolarHBondContact CB-O 3.32Å; A290-G292 VanDerWaalsContact C-N 3.25Å; A290-G292 PolarHBondContact O-N 3.3Å
291N88.4Confident92.6Very high37 Ų3726 Ų2620%0.19815%0.154CC..THydrogen-bonded Turntrans-76.6-7172.861.919000113.7E289 H293E289-N291 VanDerWaalsContact CB-OD1 3.25Å; E289-N291 WeakPolarHBondContact CB-OD1 3.25Å; E289-N291 PolarHBondContact O-N 3.29Å; E289-N291 PolarHBondContact OE2-ND2 2.95Å; E289-N291 VanDerWaalsContact OE2-ND2 3.12Å; N291-H293 WeakPolarHBondContact OD1-CB 3.39Å; N291-H293 PolarHBondContact OD1-N 3.25Å
292G94.6Very high92.7Very high2 Ų220.9 Ų20.92%0.02113%0.13CC..SBendtrans97.81-179.600000115.3I201 E289 A290I201-G292 PolarHBondContact N-O 3.16Å; I201-G292 WeakPolarHBondContact O-CA 3.49Å; E289-G292 PolarHBondContact O-N 3.44Å; A290-G292 VanDerWaalsContact C-N 3.25Å; A290-G292 PolarHBondContact O-N 3.3Å
293H95.4Very high92.5Very high33 Ų3322.3 Ų22.315%0.15314%0.137CC..BIsolated β-bridgetrans-82.2124.4173.8-163.5122000109.7D199 R200 V272 F288 E289 N291D199-H293 IonicContact OD1-CE1 3.09Å; D199-H293 IonicContact OD1-ND1 3.27Å; D199-H293 PolarHBondContact OD1-ND1 3.49Å; D199-H293 IonicContact OD2-CE1 3.65Å; D199-H293 PolarHBondContact OD2-CE1 3.1Å; D199-H293 IonicContact OD2-ND1 2.72Å; D199-H293 PolarHBondContact OD2-ND1 3.37Å; R200-H293 HydrophobicContact CG-CB 3.81Å; V272-H293 WeakPolarHBondContact CG1-NE2 3.41Å; V272-H293 VanDerWaalsContact CG2-NE2 3.32Å; V272-H293 WeakPolarHBondContact CG2-NE2 3.35Å; F288-H293 CarbonylContact C-O 3.38Å; F288-H293 VanDerWaalsContact CA-O 3.32Å; F288-H293 WeakPolarHBondContact CA-O 3.17Å; E289-H293 PolarHBondContact N-O 2.99Å; N291-H293 WeakPolarHBondContact OD1-CB 3.39Å; N291-H293 PolarHBondContact OD1-N 3.25Å
294G95.5Very high92.3Very high24 Ų2425.3 Ų25.325%0.24715%0.151CC..EExtended strand (participates in β ladder)trans171.5175.4176.500000114.7Y287 F288Y287-G294 CarbonylContact O-C 3.59Å; Y287-G294 WeakPolarHBondContact O-CA 3.48Å; F288-G294 VanDerWaalsContact CD1-CA 3.49Å
295T96.5Very high91.9Very high21 Ų2129.1 Ų29.113%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-161177.5175.2-170.50000110.1Y287 L297 F331Y287-T295 HydrophobicContact CD1-CG2 4.39Å; Y287-T295 HydrophobicContact CE1-CG2 3.47Å; Y287-T295 VanDerWaalsContact CE1-CG2 3.47Å; Y287-T295 HydrophobicContact CE2-CG2 4.36Å; Y287-T295 VanDerWaalsContact CZ-CG2 3.47Å; Y287-T295 PolarHBondContact N-O 3.11Å; Y287-T295 PolarHBondContact O-N 2.62Å; Y287-T295 VanDerWaalsContact O-O 3.1Å; Y287-T295 VanDerWaalsContact OH-CG2 3.23Å; Y287-T295 WeakPolarHBondContact OH-CG2 3.41Å; T295-L297 HydrophobicContact CG2-CD2 4.07Å; T295-F331 VanDerWaalsContact OG1-CD1 3.25Å; T295-F331 WeakPolarHBondContact OG1-CD1 3.47Å
296A96.5Very high91.7Very high0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-105.2148.5160.300000110.8G285 V286 F298 F331G285-A296 CarbonylContact O-C 3.5Å; G285-A296 WeakPolarHBondContact O-CA 3.23Å; V286-A296 HydrophobicContact CG2-CB 4.08Å; A296-F298 HydrophobicContact CB-CE2 3.86Å; A296-F298 HydrophobicContact CB-CZ 4.13Å; A296-F331 HydrophobicContact CB-CD1 4.13Å; A296-F331 HydrophobicContact CB-CD2 3.93Å; A296-F331 HydrophobicContact CB-CE1 3.86Å; A296-F331 HydrophobicContact CB-CE2 3.61Å; A296-F331 HydrophobicContact CB-CG 4.16Å; A296-F331 HydrophobicContact CB-CZ 3.58Å
297L94.3Very high91.3Very high12 Ų1233.4 Ų33.46%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-117146.4172.7-55.5179.1000109.4A279 Q280 I284 G285 Y287 T295 Q333A279-L297 HydrophobicContact CB-CD1 3.93Å; Q280-L297 HydrophobicContact CG-CD1 3.74Å; I284-L297 WeakPolarHBondContact CA-O 3.37Å; G285-L297 PolarHBondContact N-O 3.1Å; G285-L297 PolarHBondContact O-N 2.79Å; Y287-L297 HydrophobicContact CE1-CD1 4.05Å; Y287-L297 HydrophobicContact CE1-CD2 4.37Å; Y287-L297 HydrophobicContact CE1-CG 3.99Å; T295-L297 HydrophobicContact CG2-CD2 4.07Å; L297-Q333 HydrophobicContact CD2-CG 4.42Å
298F92.8Very high90.9Very high12 Ų1237.4 Ų37.45%0.05321%0.205CC..EExtended strand (participates in β ladder)trans-128.3132.9178-58.9-97.9000108.6L228 I284 A296 V302 E303 I327 I328 F331L228-F298 HydrophobicContact CD1-CE1 4.44Å; L228-F298 HydrophobicContact CD1-CZ 4.18Å; L228-F298 HydrophobicContact CD2-CE1 4.12Å; L228-F298 HydrophobicContact CD2-CZ 4.1Å; I284-F298 HydrophobicContact CD1-CD1 4.01Å; I284-F298 HydrophobicContact CD1-CE1 3.93Å; I284-F298 HydrophobicContact CG1-CD1 3.83Å; I284-F298 HydrophobicContact CG1-CE1 4.14Å; I284-F298 HydrophobicContact CG2-CD1 4.14Å; I284-F298 HydrophobicContact CG2-CE1 3.86Å; I284-F298 HydrophobicContact CG2-CZ 4.35Å; A296-F298 HydrophobicContact CB-CE2 3.86Å; A296-F298 HydrophobicContact CB-CZ 4.13Å; F298-V302 HydrophobicContact CD1-CG1 4.35Å; F298-E303 HydrophobicContact CB-CG 3.82Å; F298-I327 HydrophobicContact CZ-CG2 4.37Å; F298-I328 HydrophobicContact CD1-CD1 4.01Å; F298-I328 HydrophobicContact CD1-CG1 3.66Å; F298-I328 HydrophobicContact CD2-CB 4.48Å; F298-I328 HydrophobicContact CD2-CG1 3.97Å; F298-I328 HydrophobicContact CD2-CG2 4.28Å; F298-I328 HydrophobicContact CE1-CD1 4.3Å; F298-I328 HydrophobicContact CE1-CG1 3.66Å; F298-I328 HydrophobicContact CE2-CG1 4Å; F298-I328 HydrophobicContact CG-CD1 4.35Å; F298-I328 HydrophobicContact CG-CG1 3.83Å; F298-I328 HydrophobicContact CG-CG2 4.45Å; F298-I328 HydrophobicContact CZ-CG1 3.84Å; F298-F331 HydrophobicContact CE2-CB 4.49Å; F298-F331 AromaticContact CE2-CD2 3.52Å; F298-F331 HydrophobicContact CE2-CD2 3.52Å; F298-F331 HydrophobicContact CE2-CE2 4.06Å; F298-F331 HydrophobicContact CE2-CG 4.27Å; F298-F331 AromaticContact CZ-CD2 3.97Å; F298-F331 HydrophobicContact CZ-CD2 3.97Å; F298-F331 HydrophobicContact CZ-CE2 4.09Å
299S89Confident90.6Very high36 Ų3637.7 Ų37.725%0.25221%0.208SC..  trans-67.6148.7174.479.70000110.3D283 A301 V302 E303D283-S299 PolarHBondContact O-N 3.45Å; S299-A301 PolarHBondContact O-N 3.19Å; S299-A301 VanDerWaalsContact O-N 3.14Å; S299-V302 WeakPolarHBondContact O-CA 3.45Å; S299-V302 WeakPolarHBondContact O-CB 3.25Å; S299-V302 PolarHBondContact O-N 3.1Å; S299-V302 WeakPolarHBondContact OG-CG2 3.12Å; S299-V302 PolarHBondContact OG-N 2.83Å; S299-E303 PolarHBondContact O-N 3.46Å
300T84.1Confident90.5Very high84 Ų8437.2 Ų37.252%0.51521%0.207SC..Hα-helixtrans-55-36.7179.1-46.10000111.8V302 E303 M304T300-V302 VanDerWaalsContact C-N 3.35Å; T300-V302 PolarHBondContact O-N 3.01Å; T300-E303 PolarHBondContact O-N 2.92Å; T300-M304 HydrophobicContact CG2-CE 4.05Å; T300-M304 WeakPolarHBondContact O-CE 3.41Å; T300-M304 WeakPolarHBondContact O-CG 3.34Å; T300-M304 PolarHBondContact O-N 3.5Å
301A83.3Confident90.8Very high64 Ų6444.7 Ų44.753%0.52924%0.241SC..Hα-helixtrans-61.7-42.1176.400000112.1S299 K305S299-A301 PolarHBondContact O-N 3.19Å; S299-A301 VanDerWaalsContact O-N 3.14Å; A301-K305 VanDerWaalsContact O-CB 3.3Å; A301-K305 WeakPolarHBondContact O-CB 3.29Å; A301-K305 PolarHBondContact O-N 3.32Å
302V88.9Confident90.9Very high3 Ų349 Ų492%0.01826%0.26CS..Hα-helixtrans-69.1-43.2178.2169.20000111.4L239 D283 I284 F298 S299 T300 M304 K305 I306L239-V302 HydrophobicContact CD1-CB 4.34Å; L239-V302 HydrophobicContact CD1-CG1 3.58Å; L239-V302 HydrophobicContact CD1-CG2 3.88Å; L239-V302 HydrophobicContact CD2-CG2 4.19Å; D283-V302 HydrophobicContact CB-CG2 3.64Å; I284-V302 HydrophobicContact CD1-CG1 4.35Å; I284-V302 HydrophobicContact CG1-CG1 4.13Å; F298-V302 HydrophobicContact CD1-CG1 4.35Å; S299-V302 WeakPolarHBondContact O-CA 3.45Å; S299-V302 WeakPolarHBondContact O-CB 3.25Å; S299-V302 PolarHBondContact O-N 3.1Å; S299-V302 WeakPolarHBondContact OG-CG2 3.12Å; S299-V302 PolarHBondContact OG-N 2.83Å; T300-V302 VanDerWaalsContact C-N 3.35Å; T300-V302 PolarHBondContact O-N 3.01Å; V302-M304 VanDerWaalsContact C-N 3.35Å; V302-M304 PolarHBondContact O-N 3.25Å; V302-K305 PolarHBondContact O-N 2.73Å; V302-I306 HydrophobicContact CG1-CD1 3.53Å; V302-I306 HydrophobicContact CG1-CG1 4.3Å; V302-I306 WeakPolarHBondContact O-CB 3.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.45Å; V302-I306 PolarHBondContact O-N 2.79Å
303E88.6Confident90.7Very high43 Ų4351.1 Ų51.120%0.20127%0.27CS..Hα-helixtrans-58.6-47176.3-65.3-170172.700111.6F298 S299 T300 I306 K307 I328 Q333F298-E303 HydrophobicContact CB-CG 3.82Å; S299-E303 PolarHBondContact O-N 3.46Å; T300-E303 PolarHBondContact O-N 2.92Å; E303-I306 PolarHBondContact O-N 3.12Å; E303-K307 WeakPolarHBondContact O-CB 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3.35Å; E303-K307 PolarHBondContact O-N 3.19Å; E303-I328 HydrophobicContact CG-CG2 4.04Å; E303-Q333 PolarHBondContact OE1-NE2 2.87Å
304M87.1Confident90.4Very high118 Ų11856.6 Ų56.658%0.58130%0.296SS*.Hα-helixtrans-62.8-42.9177-70.9-174.5-66.200111.6T300 V302 K307 Q308T300-M304 HydrophobicContact CG2-CE 4.05Å; T300-M304 WeakPolarHBondContact O-CE 3.41Å; T300-M304 WeakPolarHBondContact O-CG 3.34Å; T300-M304 PolarHBondContact O-N 3.5Å; V302-M304 VanDerWaalsContact C-N 3.35Å; V302-M304 PolarHBondContact O-N 3.25Å; M304-K307 PolarHBondContact O-N 2.9Å; M304-Q308 WeakPolarHBondContact O-CB 3.49Å; M304-Q308 PolarHBondContact O-N 2.89Å
305K89.3Confident90Very high80 Ų8062 Ų6235%0.34832%0.319SS..Hα-helixtrans-62.6-46.1179.2-167.6179.4-163.9-172.40111.8E237 A301 V302 Q308 S309E237-K305 VanDerWaalsContact CD-CE 3.44Å; E237-K305 WeakPolarHBondContact OE1-CE 3.5Å; E237-K305 IonicContact OE1-NZ 2.98Å; E237-K305 PolarHBondContact OE1-NZ 2.7Å; E237-K305 WeakPolarHBondContact OE2-CE 3.41Å; E237-K305 IonicContact OE2-NZ 3.12Å; E237-K305 PolarHBondContact OE2-NZ 2.89Å; A301-K305 VanDerWaalsContact O-CB 3.3Å; A301-K305 WeakPolarHBondContact O-CB 3.29Å; A301-K305 PolarHBondContact O-N 3.32Å; V302-K305 PolarHBondContact O-N 2.73Å; K305-Q308 PolarHBondContact O-N 3.21Å; K305-S309 PolarHBondContact O-N 3.01Å; K305-S309 PolarHBondContact O-OG 2.79Å; K305-S309 VanDerWaalsContact O-OG 3.1Å
306I92.3Very high89.5Confident3 Ų368 Ų682%0.01534%0.344CS..Hα-helixtrans-65-42.4179.8-72.4168.9000110.9V302 E303 Q308 S309 A310 L324 E325 I328V302-I306 HydrophobicContact CG1-CD1 3.53Å; V302-I306 HydrophobicContact CG1-CG1 4.3Å; V302-I306 WeakPolarHBondContact O-CB 3.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.45Å; V302-I306 PolarHBondContact O-N 2.79Å; E303-I306 PolarHBondContact O-N 3.12Å; I306-Q308 PolarHBondContact O-N 2.62Å; I306-S309 WeakPolarHBondContact O-CB 3.28Å; I306-S309 PolarHBondContact O-N 3.05Å; I306-A310 PolarHBondContact O-N 3.16Å; I306-L324 HydrophobicContact CD1-CB 4.3Å; I306-L324 HydrophobicContact CD1-CD1 4.49Å; I306-L324 HydrophobicContact CG2-CB 3.65Å; I306-E325 HydrophobicContact CG2-CB 4.25Å; I306-I328 HydrophobicContact CB-CD1 4.24Å; I306-I328 HydrophobicContact CD1-CD1 3.67Å; I306-I328 HydrophobicContact CG2-CD1 4.02Å
307K90.4Very high89.3Confident87 Ų8772.7 Ų72.738%0.37836%0.364SS..Hα-helixtrans-58.7-47.1173.9-76175177.9172.10111.7E303 M304 S309 A310 E311 E325E303-K307 WeakPolarHBondContact O-CB 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3.35Å; E303-K307 PolarHBondContact O-N 3.19Å; M304-K307 PolarHBondContact O-N 2.9Å; K307-S309 VanDerWaalsContact C-N 3.34Å; K307-S309 PolarHBondContact O-N 2.82Å; K307-A310 WeakPolarHBondContact O-CB 3.33Å; K307-A310 PolarHBondContact O-N 2.93Å; K307-A310 VanDerWaalsContact O-N 3.15Å; K307-E311 PolarHBondContact O-N 3Å; K307-E325 HydrophobicContact CG-CG 4.3Å
308Q89.4Confident89.1Confident98 Ų9877.7 Ų77.746%0.45838%0.382SS..Hα-helixtrans-60.9-42.6175.8-175.9-179-12.300111.8M304 K305 I306 A310 E311 Q312M304-Q308 WeakPolarHBondContact O-CB 3.49Å; M304-Q308 PolarHBondContact O-N 2.89Å; K305-Q308 PolarHBondContact O-N 3.21Å; I306-Q308 PolarHBondContact O-N 2.62Å; Q308-A310 VanDerWaalsContact C-N 3.31Å; Q308-A310 PolarHBondContact O-N 3.45Å; Q308-E311 PolarHBondContact O-N 2.95Å; Q308-Q312 VanDerWaalsContact CG-CD 3.42Å; Q308-Q312 HydrophobicContact CG-CG 4.22Å; Q308-Q312 WeakPolarHBondContact O-CB 3.48Å; Q308-Q312 WeakPolarHBondContact O-CG 3.46Å; Q308-Q312 PolarHBondContact O-N 2.84Å
309S90.2Very high89Confident15 Ų1581.4 Ų81.411%0.10540%0.398CS..Hα-helixtrans-61.6-37175.1-66.10000112.6K305 I306 K307 E311 Q312 L313K305-S309 PolarHBondContact O-N 3.01Å; K305-S309 PolarHBondContact O-OG 2.79Å; K305-S309 VanDerWaalsContact O-OG 3.1Å; I306-S309 WeakPolarHBondContact O-CB 3.28Å; I306-S309 PolarHBondContact O-N 3.05Å; K307-S309 VanDerWaalsContact C-N 3.34Å; K307-S309 PolarHBondContact O-N 2.82Å; S309-E311 PolarHBondContact O-N 2.92Å; S309-Q312 PolarHBondContact O-N 2.83Å; S309-L313 WeakPolarHBondContact O-CB 3.24Å; S309-L313 VanDerWaalsContact O-CG 3.25Å; S309-L313 WeakPolarHBondContact O-CG 3.41Å; S309-L313 PolarHBondContact O-N 2.9Å
310A89.9Confident89.2Confident4 Ų479.7 Ų79.73%0.03339%0.386CS..Hα-helixtrans-67-25.9178.400000113.2I306 K307 Q308 R318 A321 K322I306-A310 PolarHBondContact O-N 3.16Å; K307-A310 WeakPolarHBondContact O-CB 3.33Å; K307-A310 PolarHBondContact O-N 2.93Å; K307-A310 VanDerWaalsContact O-N 3.15Å; Q308-A310 VanDerWaalsContact C-N 3.31Å; Q308-A310 PolarHBondContact O-N 3.45Å; A310-R318 WeakPolarHBondContact O-CG 3.38Å; A310-A321 HydrophobicContact CB-CB 4.04Å; A310-K322 HydrophobicContact CB-CG 4.04Å
311E90.7Very high89.6Confident162 Ų16275.7 Ų75.776%0.75736%0.362SS*.Hα-helixtrans-87.6-38.4176-66.5178.7170.700113.1K307 Q308 S309K307-E311 PolarHBondContact O-N 3Å; Q308-E311 PolarHBondContact O-N 2.95Å; S309-E311 PolarHBondContact O-N 2.92Å
312Q89.9Confident90.1Very high128 Ų12876.7 Ų76.760%0.59835%0.354SS*.Hα-helixtrans-94.5-29.5-169.4-67.3179.3-6.300114.4Q308 S309Q308-Q312 VanDerWaalsContact CG-CD 3.42Å; Q308-Q312 HydrophobicContact CG-CG 4.22Å; Q308-Q312 WeakPolarHBondContact O-CB 3.48Å; Q308-Q312 WeakPolarHBondContact O-CG 3.46Å; Q308-Q312 PolarHBondContact O-N 2.84Å; S309-Q312 PolarHBondContact O-N 2.83Å
313L89.7Confident90.3Very high46 Ų4677.9 Ų77.924%0.24136%0.36CS..  trans-77156.3-179.2-63174.6000110.9I235 S309 K317 R318 A321I235-L313 HydrophobicContact CB-CD1 3.96Å; I235-L313 HydrophobicContact CG2-CD1 4.2Å; S309-L313 WeakPolarHBondContact O-CB 3.24Å; S309-L313 VanDerWaalsContact O-CG 3.25Å; S309-L313 WeakPolarHBondContact O-CG 3.41Å; S309-L313 PolarHBondContact O-N 2.9Å; L313-K317 HydrophobicContact CB-CB 4.03Å; L313-K317 HydrophobicContact CD1-CB 4.05Å; L313-K317 HydrophobicContact CG-CB 4.47Å; L313-R318 VanDerWaalsContact O-CB 3.24Å; L313-R318 WeakPolarHBondContact O-CB 3.35Å; L313-R318 VanDerWaalsContact O-CD 3.28Å; L313-R318 WeakPolarHBondContact O-CD 3.36Å; L313-R318 VanDerWaalsContact O-CG 3.27Å; L313-R318 WeakPolarHBondContact O-CG 3.21Å; L313-A321 HydrophobicContact CD1-CB 4.39Å
314E89.8Confident90.5Very high149 Ų14975.8 Ų75.870%0.69635%0.35SS*.  trans-111.7164.3179.5-63.9-176.5173.100111.8K316 K317 R318E314-K316 PolarHBondContact O-N 2.97Å; E314-K317 PolarHBondContact O-N 2.87Å; E314-R318 PolarHBondContact O-N 3.25Å; E314-R318 VanDerWaalsContact O-N 3.1Å
315D87.4Confident90.8Very high138 Ų13872.9 Ų72.974%0.73834%0.335SS*.Hα-helixtrans48.9-125.4172.6-60.1-31.9000115.4K317 R318 K319D315-K317 VanDerWaalsContact C-N 3.34Å; D315-K317 PolarHBondContact O-N 3.19Å; D315-R318 WeakPolarHBondContact O-CB 3.32Å; D315-R318 PolarHBondContact O-N 3.1Å; D315-K319 PolarHBondContact O-N 2.94Å; D315-K319 VanDerWaalsContact O-N 3.17Å
316K86.9Confident90.9Very high146 Ų14670.1 Ų70.164%0.63532%0.324SS*.Hα-helixtrans-64.3-38.6-175.6178.5169.8177.8-177.20111.5E234 E314 R318 K319 A320E234-K316 VanDerWaalsContact CD-CE 3.45Å; E234-K316 HydrophobicContact CG-CG 4.43Å; E234-K316 WeakPolarHBondContact OE1-CE 3.35Å; E234-K316 WeakPolarHBondContact OE1-CG 3.25Å; E314-K316 PolarHBondContact O-N 2.97Å; K316-R318 PolarHBondContact O-N 2.93Å; K316-K319 WeakPolarHBondContact O-CB 3.27Å; K316-K319 PolarHBondContact O-N 2.91Å; K316-A320 PolarHBondContact O-N 3.43Å
317K90.8Very high91Very high98 Ų9871.1 Ų71.143%0.42633%0.329SS..Hα-helixtrans-65.9-39.6176.3-64.3-163.8170.7-170.20112E234 I235 L313 E314 D315 K319 A320 A321E234-K317 WeakPolarHBondContact O-CG 3.33Å; I235-K317 WeakPolarHBondContact CG2-O 3.37Å; L313-K317 HydrophobicContact CB-CB 4.03Å; L313-K317 HydrophobicContact CD1-CB 4.05Å; L313-K317 HydrophobicContact CG-CB 4.47Å; E314-K317 PolarHBondContact O-N 2.87Å; D315-K317 VanDerWaalsContact C-N 3.34Å; D315-K317 PolarHBondContact O-N 3.19Å; K317-K319 VanDerWaalsContact C-N 3.29Å; K317-K319 PolarHBondContact O-N 3.23Å; K317-A320 PolarHBondContact O-N 3.03Å; K317-A321 WeakPolarHBondContact O-CB 3.1Å; K317-A321 PolarHBondContact O-N 3.03Å
318R91.3Very high91Very high118 Ų11867.3 Ų67.345%0.44531%0.313SS..Hα-helixtrans-60.1-41.5173.5-163.4177.663.7-173.8-3.5111.8A310 L313 E314 D315 K316 A321 K322A310-R318 WeakPolarHBondContact O-CG 3.38Å; L313-R318 VanDerWaalsContact O-CB 3.24Å; L313-R318 WeakPolarHBondContact O-CB 3.35Å; L313-R318 VanDerWaalsContact O-CD 3.28Å; L313-R318 WeakPolarHBondContact O-CD 3.36Å; L313-R318 VanDerWaalsContact O-CG 3.27Å; L313-R318 WeakPolarHBondContact O-CG 3.21Å; E314-R318 PolarHBondContact O-N 3.25Å; E314-R318 VanDerWaalsContact O-N 3.1Å; D315-R318 WeakPolarHBondContact O-CB 3.32Å; D315-R318 PolarHBondContact O-N 3.1Å; K316-R318 PolarHBondContact O-N 2.93Å; R318-A321 PolarHBondContact O-N 3.11Å; R318-K322 WeakPolarHBondContact O-CB 3.42Å; R318-K322 WeakPolarHBondContact O-CG 3.3Å; R318-K322 PolarHBondContact O-N 3.36Å
319K90.7Very high91Very high89 Ų8965.3 Ų65.339%0.38731%0.305SS..Hα-helixtrans-60.2-50.8177.1-168.6-175.4175-174.30110.5Q116 D315 K316 K317 A321 K322 M323Q116-K319 WeakPolarHBondContact O-CE 3.37Å; Q116-K319 PolarHBondContact O-NZ 2.75Å; Q116-K319 PolarHBondContact OE1-O 3.36Å; D315-K319 PolarHBondContact O-N 2.94Å; D315-K319 VanDerWaalsContact O-N 3.17Å; K316-K319 WeakPolarHBondContact O-CB 3.27Å; K316-K319 PolarHBondContact O-N 2.91Å; K317-K319 VanDerWaalsContact C-N 3.29Å; K317-K319 PolarHBondContact O-N 3.23Å; K319-A321 PolarHBondContact O-N 2.94Å; K319-K322 PolarHBondContact O-N 3.48Å; K319-M323 HydrophobicContact CG-SD 4.37Å; K319-M323 WeakPolarHBondContact O-CG 3.41Å; K319-M323 PolarHBondContact O-N 3.48Å
320A92.3Very high91Very high1 Ų167.2 Ų67.21%0.00831%0.314CS..Hα-helixtrans-60.9-42.1177.700000113.1L231 E234 I235 K316 K317 K322 M323 L324L231-A320 HydrophobicContact CD2-CB 3.9Å; E234-A320 HydrophobicContact CB-CB 3.92Å; E234-A320 HydrophobicContact CG-CB 3.73Å; I235-A320 HydrophobicContact CG2-CB 3.71Å; K316-A320 PolarHBondContact O-N 3.43Å; K317-A320 PolarHBondContact O-N 3.03Å; A320-K322 PolarHBondContact O-N 3.25Å; A320-M323 WeakPolarHBondContact O-CB 3.38Å; A320-M323 PolarHBondContact O-N 3.25Å; A320-M323 VanDerWaalsContact O-N 3.16Å; A320-L324 PolarHBondContact O-N 2.89Å
321A92.8Very high90.9Very high0 Ų068.4 Ų68.40%032%0.318CS..Hα-helixtrans-62-42.5175.800000112.3I235 A310 L313 K317 R318 K319 M323 L324 E325I235-A321 HydrophobicContact CG2-CB 3.93Å; A310-A321 HydrophobicContact CB-CB 4.04Å; L313-A321 HydrophobicContact CD1-CB 4.39Å; K317-A321 WeakPolarHBondContact O-CB 3.1Å; K317-A321 PolarHBondContact O-N 3.03Å; R318-A321 PolarHBondContact O-N 3.11Å; K319-A321 PolarHBondContact O-N 2.94Å; A321-M323 VanDerWaalsContact C-N 3.32Å; A321-M323 PolarHBondContact O-N 3.09Å; A321-L324 WeakPolarHBondContact O-CB 3.45Å; A321-L324 PolarHBondContact O-N 3.39Å; A321-E325 PolarHBondContact O-N 3.32Å
322K92.8Very high90.4Very high85 Ų8562 Ų6237%0.3729%0.289SS..Hα-helixtrans-65.1-34.6173.4-75.4-175.4174-167.60112.6A310 R318 K319 A320 N326A310-K322 HydrophobicContact CB-CG 4.04Å; R318-K322 WeakPolarHBondContact O-CB 3.42Å; R318-K322 WeakPolarHBondContact O-CG 3.3Å; R318-K322 PolarHBondContact O-N 3.36Å; K319-K322 PolarHBondContact O-N 3.48Å; A320-K322 PolarHBondContact O-N 3.25Å; K322-N326 PolarHBondContact O-N 2.91Å; K322-N326 PolarHBondContact O-ND2 3.06Å
323M93.3Very high89.9Confident27 Ų2756.6 Ų56.613%0.13326%0.264CS..Hα-helixtrans-65.9-41.7173.8-68.6174.564.200111.1L113 Q116 F227 L231 K319 A320 A321 N326 I327L113-M323 HydrophobicContact CD2-CB 4.01Å; L113-M323 HydrophobicContact CD2-CG 4.23Å; L113-M323 WeakPolarHBondContact CD2-O 3.35Å; Q116-M323 HydrophobicContact CB-CG 4.21Å; Q116-M323 HydrophobicContact CB-SD 4.11Å; F227-M323 HydrophobicContact CE2-CE 4.09Å; F227-M323 HydrophobicContact CZ-CE 3.55Å; L231-M323 HydrophobicContact CD1-CB 3.73Å; L231-M323 HydrophobicContact CD2-CB 4.18Å; L231-M323 HydrophobicContact CD2-CE 4.21Å; L231-M323 HydrophobicContact CD2-SD 4.25Å; K319-M323 HydrophobicContact CG-SD 4.37Å; K319-M323 WeakPolarHBondContact O-CG 3.41Å; K319-M323 PolarHBondContact O-N 3.48Å; A320-M323 WeakPolarHBondContact O-CB 3.38Å; A320-M323 PolarHBondContact O-N 3.25Å; A320-M323 VanDerWaalsContact O-N 3.16Å; A321-M323 VanDerWaalsContact C-N 3.32Å; A321-M323 PolarHBondContact O-N 3.09Å; M323-N326 PolarHBondContact O-N 3.32Å; M323-I327 WeakPolarHBondContact O-CB 3.41Å; M323-I327 PolarHBondContact O-N 3.42Å
324L93.4Very high88.6Confident0 Ų056.8 Ų56.80%027%0.267CS..Hα-helixtrans-60.7-47.8173.1-76.6165.1000111.6L228 L231 L232 I235 I306 A320 A321 N326 I327 I328L228-L324 HydrophobicContact CD2-CD2 3.82Å; L231-L324 HydrophobicContact CB-CD1 3.94Å; L231-L324 HydrophobicContact CB-CD2 3.81Å; L231-L324 HydrophobicContact CB-CG 3.66Å; L231-L324 HydrophobicContact CD1-CD2 4.02Å; L231-L324 HydrophobicContact CD1-CG 3.91Å; L231-L324 HydrophobicContact CG-CG 4.45Å; L232-L324 HydrophobicContact CD2-CD1 3.82Å; L232-L324 HydrophobicContact CD2-CD2 4.48Å; L232-L324 HydrophobicContact CG-CD1 4.24Å; L232-L324 HydrophobicContact CG-CD2 4.36Å; I235-L324 HydrophobicContact CD1-CD1 3.68Å; I235-L324 HydrophobicContact CG1-CD1 4.29Å; I306-L324 HydrophobicContact CD1-CB 4.3Å; I306-L324 HydrophobicContact CD1-CD1 4.49Å; I306-L324 HydrophobicContact CG2-CB 3.65Å; A320-L324 PolarHBondContact O-N 2.89Å; A321-L324 WeakPolarHBondContact O-CB 3.45Å; A321-L324 PolarHBondContact O-N 3.39Å; L324-N326 PolarHBondContact O-N 3.35Å; L324-I327 PolarHBondContact O-N 3.21Å; L324-I328 VanDerWaalsContact O-CG1 3.32Å; L324-I328 WeakPolarHBondContact O-CG1 3.38Å; L324-I328 PolarHBondContact O-N 3.17Å
325E92.6Very high87.2Confident57 Ų5751.4 Ų51.427%0.26625%0.248SC..Hα-helixtrans-56.2-50.2177.5-175.9-175.6-158.500111.9I306 K307 A321 I327 I328 D329I306-E325 HydrophobicContact CG2-CB 4.25Å; K307-E325 HydrophobicContact CG-CG 4.3Å; A321-E325 PolarHBondContact O-N 3.32Å; E325-I327 VanDerWaalsContact C-N 3.32Å; E325-I327 PolarHBondContact O-N 2.83Å; E325-I328 PolarHBondContact O-N 3.44Å; E325-D329 PolarHBondContact O-N 3.1Å
326N93.1Very high85.7Confident21 Ų2147 Ų4711%0.11223%0.225CC..Hα-helixtrans-66.1-33.1178.4-72.3-66.4000112.4A109 L113 K322 M323 L324 D329 L330A109-N326 HydrophobicContact CB-CB 4.46Å; A109-N326 WeakPolarHBondContact CB-O 3.36Å; L113-N326 HydrophobicContact CD1-CB 4.01Å; L113-N326 HydrophobicContact CD2-CB 3.92Å; L113-N326 HydrophobicContact CG-CB 3.64Å; K322-N326 PolarHBondContact O-N 2.91Å; K322-N326 PolarHBondContact O-ND2 3.06Å; M323-N326 PolarHBondContact O-N 3.32Å; L324-N326 PolarHBondContact O-N 3.35Å; N326-D329 PolarHBondContact O-N 3.48Å; N326-L330 PolarHBondContact O-N 3.1Å; N326-L330 VanDerWaalsContact O-N 3.14Å
327I92.7Very high84.3Confident24 Ų2447 Ų4712%0.12322%0.221CC..Hα-helixtrans-66.1-40.5174.3-84.6-148.6000111.9L113 F227 L228 F298 M323 L324 E325 D329 L330 F331L113-I327 HydrophobicContact CD1-CG1 3.68Å; L113-I327 HydrophobicContact CD2-CG1 3.91Å; L113-I327 HydrophobicContact CG-CG1 4.47Å; F227-I327 HydrophobicContact CD1-CD1 3.29Å; F227-I327 HydrophobicContact CE1-CD1 3.05Å; F227-I327 HydrophobicContact CE1-CG1 3.95Å; F227-I327 HydrophobicContact CG-CD1 4.49Å; F227-I327 HydrophobicContact CZ-CD1 4.11Å; L228-I327 HydrophobicContact CD2-CG2 3.8Å; F298-I327 HydrophobicContact CZ-CG2 4.37Å; M323-I327 WeakPolarHBondContact O-CB 3.41Å; M323-I327 PolarHBondContact O-N 3.42Å; L324-I327 PolarHBondContact O-N 3.21Å; E325-I327 VanDerWaalsContact C-N 3.32Å; E325-I327 PolarHBondContact O-N 2.83Å; I327-D329 PolarHBondContact O-N 3.3Å; I327-L330 WeakPolarHBondContact O-CB 3.28Å; I327-L330 PolarHBondContact O-N 3.49Å; I327-L330 VanDerWaalsContact O-N 3.1Å; I327-F331 HydrophobicContact CG2-CD2 3.93Å; I327-F331 HydrophobicContact CG2-CE2 3.51Å; I327-F331 WeakPolarHBondContact O-CD2 3.33Å; I327-F331 PolarHBondContact O-N 3.39Å
328I90.6Very high83Confident8 Ų847.7 Ų47.74%0.04122%0.22CC..Hα-helixtrans-58.6-43176.4-68164.9000109.8F298 E303 I306 L324 E325 L330 F331F298-I328 HydrophobicContact CD1-CD1 4.01Å; F298-I328 HydrophobicContact CD1-CG1 3.66Å; F298-I328 HydrophobicContact CD2-CB 4.48Å; F298-I328 HydrophobicContact CD2-CG1 3.97Å; F298-I328 HydrophobicContact CD2-CG2 4.28Å; F298-I328 HydrophobicContact CE1-CD1 4.3Å; F298-I328 HydrophobicContact CE1-CG1 3.66Å; F298-I328 HydrophobicContact CE2-CG1 4Å; F298-I328 HydrophobicContact CG-CD1 4.35Å; F298-I328 HydrophobicContact CG-CG1 3.83Å; F298-I328 HydrophobicContact CG-CG2 4.45Å; F298-I328 HydrophobicContact CZ-CG1 3.84Å; E303-I328 HydrophobicContact CG-CG2 4.04Å; I306-I328 HydrophobicContact CB-CD1 4.24Å; I306-I328 HydrophobicContact CD1-CD1 3.67Å; I306-I328 HydrophobicContact CG2-CD1 4.02Å; L324-I328 VanDerWaalsContact O-CG1 3.32Å; L324-I328 WeakPolarHBondContact O-CG1 3.38Å; L324-I328 PolarHBondContact O-N 3.17Å; E325-I328 PolarHBondContact O-N 3.44Å; I328-L330 VanDerWaalsContact C-N 3.27Å; I328-L330 PolarHBondContact O-N 3.5Å; I328-F331 PolarHBondContact O-N 3.46Å; I328-F331 VanDerWaalsContact O-N 3.17Å
329D89.6Confident81.8Confident56 Ų5645.5 Ų45.530%0.29922%0.22SC..Hα-helixtrans-67.6-23.5178.3-86.1-8.8000113.9K105 A109 E325 N326 I327K105-D329 WeakPolarHBondContact CE-O 3.37Å; A109-D329 HydrophobicContact CB-CB 3.83Å; E325-D329 PolarHBondContact O-N 3.1Å; N326-D329 PolarHBondContact O-N 3.48Å; I327-D329 PolarHBondContact O-N 3.3Å
330L90.2Very high81.2Confident55 Ų5541.5 Ų41.529%0.28820%0.203SC..Hα-helixtrans-74.1-26.4173-86.4-178000113.4L106 A109 F110 L113 N326 I327 I328 N332L106-L330 HydrophobicContact CB-CD2 4.46Å; L106-L330 HydrophobicContact CD2-CD2 4.5Å; L106-L330 WeakPolarHBondContact CD2-O 3.45Å; L106-L330 VanDerWaalsContact O-CD2 3.25Å; L106-L330 WeakPolarHBondContact O-CD2 3.24Å; A109-L330 HydrophobicContact CB-CD2 4.16Å; A109-L330 HydrophobicContact CB-CG 3.92Å; F110-L330 HydrophobicContact CB-CD2 3.99Å; L113-L330 HydrophobicContact CD1-CD1 3.3Å; L113-L330 HydrophobicContact CD1-CG 4.14Å; N326-L330 PolarHBondContact O-N 3.1Å; N326-L330 VanDerWaalsContact O-N 3.14Å; I327-L330 WeakPolarHBondContact O-CB 3.28Å; I327-L330 PolarHBondContact O-N 3.49Å; I327-L330 VanDerWaalsContact O-N 3.1Å; I328-L330 VanDerWaalsContact C-N 3.27Å; I328-L330 PolarHBondContact O-N 3.5Å; L330-N332 PolarHBondContact O-N 3.27Å
331F88.9Confident80.7Confident28 Ų2843.8 Ų43.812%0.12322%0.219CC..SBendtrans-80.1117.5177.8-73.3-67.4000110.4Y94 I224 T295 A296 F298 I327 I328 Q333Y94-F331 PolarHBondContact OH-O 2.92Å; I224-F331 HydrophobicContact CD1-CE1 4.25Å; I224-F331 HydrophobicContact CD1-CZ 4.07Å; I224-F331 HydrophobicContact CG1-CZ 4.48Å; I224-F331 HydrophobicContact CG2-CE2 4.47Å; I224-F331 HydrophobicContact CG2-CZ 3.82Å; T295-F331 VanDerWaalsContact OG1-CD1 3.25Å; T295-F331 WeakPolarHBondContact OG1-CD1 3.47Å; A296-F331 HydrophobicContact CB-CD1 4.13Å; A296-F331 HydrophobicContact CB-CD2 3.93Å; A296-F331 HydrophobicContact CB-CE1 3.86Å; A296-F331 HydrophobicContact CB-CE2 3.61Å; A296-F331 HydrophobicContact CB-CG 4.16Å; A296-F331 HydrophobicContact CB-CZ 3.58Å; F298-F331 HydrophobicContact CE2-CB 4.49Å; F298-F331 AromaticContact CE2-CD2 3.52Å; F298-F331 HydrophobicContact CE2-CD2 3.52Å; F298-F331 HydrophobicContact CE2-CE2 4.06Å; F298-F331 HydrophobicContact CE2-CG 4.27Å; F298-F331 AromaticContact CZ-CD2 3.97Å; F298-F331 HydrophobicContact CZ-CD2 3.97Å; F298-F331 HydrophobicContact CZ-CE2 4.09Å; I327-F331 HydrophobicContact CG2-CD2 3.93Å; I327-F331 HydrophobicContact CG2-CE2 3.51Å; I327-F331 WeakPolarHBondContact O-CD2 3.33Å; I327-F331 PolarHBondContact O-N 3.39Å; I328-F331 PolarHBondContact O-N 3.46Å; I328-F331 VanDerWaalsContact O-N 3.17Å; F331-Q333 HydrophobicContact CB-CG 4.21Å; F331-Q333 PolarHBondContact O-N 2.87Å
332N79.3Confident80.3Confident27 Ų2745.6 Ų45.614%0.14423%0.23CC..  trans-75.772.7172.8-169.529.7000110.1P79 Y94 L330P79-N332 PolarHBondContact O-ND2 2.94Å; Y94-N332 WeakPolarHBondContact OH-CA 3.31Å; L330-N332 PolarHBondContact O-N 3.27Å
333Q79.5Confident79.9Confident16 Ų1645 Ų458%0.07523%0.233CC..PPolyproline II helixtrans-64139.1178.1-63.2-171.980.900110.3Y86 Y94 L297 E303 F331Y86-Q333 WeakPolarHBondContact CD1-O 3.36Å; Y86-Q333 WeakPolarHBondContact CE1-O 3.36Å; Y94-Q333 PolarHBondContact OH-N 3.12Å; L297-Q333 HydrophobicContact CD2-CG 4.42Å; E303-Q333 PolarHBondContact OE1-NE2 2.87Å; F331-Q333 HydrophobicContact CB-CG 4.21Å; F331-Q333 PolarHBondContact O-N 2.87Å
334V62.8Low79.6Confident49 Ų4947 Ų4730%0.29724%0.244SC..PPolyproline II helixtrans-102.2134.5173-177.10000107.1H82 D336H82-V334 HydrophobicContact CB-CG2 4.2Å; V334-D336 PolarHBondContact O-N 3.38Å
335A59.3Low78.8Confident36 Ų3651.1 Ų51.130%0.29828%0.279SS..PPolyproline II helixtrans-54.6138.1176.300000111.1Y86Y86-A335 HydrophobicContact CD2-CB 3.47Å; Y86-A335 VanDerWaalsContact CD2-CB 3.47Å; Y86-A335 HydrophobicContact CE2-CB 3.2Å; Y86-A335 HydrophobicContact CG-CB 4.47Å
336D57.7Low78.3Confident46 Ų4652.1 Ų52.125%0.24628%0.284CS..PPolyproline II helixtrans-86.3128.1156.9-160.8-1.1000110.2Q280 V334 R338Q280-D336 PolarHBondContact NE2-OD2 2.95Å; Q280-D336 PolarHBondContact OE1-OD2 3.45Å; Q280-D336 VanDerWaalsContact OE1-OD2 3.07Å; V334-D336 PolarHBondContact O-N 3.38Å; D336-R338 VanDerWaalsContact C-N 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 PolarHBondContact OD1-N 2.87Å; D336-R338 IonicContact OD1-NE 3.73Å
337R57.4Low77.9Confident146 Ų14656.6 Ų56.655%0.55130%0.299SS*.SBendtrans-86.1-2.7171.3-67.6-176.1166.6172.5-2.1112.6N89 D380N89-R337 PolarHBondContact ND2-NH2 3.46Å; R337-D380 IonicContact CZ-OD2 3.3Å; R337-D380 IonicContact NE-OD2 2.75Å; R337-D380 PolarHBondContact NE-OD2 2.93Å; R337-D380 VanDerWaalsContact NE-OD2 3.14Å; R337-D380 IonicContact NH2-OD2 3.1Å
338R62.8Low77.7Confident112 Ų11259.7 Ų59.742%0.42331%0.313SS..  trans-105.237.6-174.9-67.3-178.8-88.1-172.9-9.6113.6D336 I340D336-R338 VanDerWaalsContact C-N 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 PolarHBondContact OD1-N 2.87Å; D336-R338 IonicContact OD1-NE 3.73Å; R338-I340 PolarHBondContact O-N 2.95Å
339V67.1Low77.6Confident72 Ų7259.7 Ų59.744%0.43631%0.314SS..SBendtrans-62.4-29.5179-1720000112.2A409V339-A409 HydrophobicContact CG1-CB 4.04Å; V339-A409 VanDerWaalsContact CG1-O 3.3Å; V339-A409 WeakPolarHBondContact CG1-O 3.15Å
340I76.8Confident77.5Confident6 Ų660.9 Ų60.93%0.03132%0.323CS..  trans-114.8121174.6-59.3179.5000108.9R338 T342 A349 T351 L355 V373 P375 V382 V405 A409R338-I340 PolarHBondContact O-N 2.95Å; I340-T342 HydrophobicContact CG2-CG2 4.09Å; I340-A349 HydrophobicContact CG2-CB 4.44Å; I340-T351 WeakPolarHBondContact CA-O 3.24Å; I340-L355 HydrophobicContact CD1-CD2 3.92Å; I340-L355 HydrophobicContact CG1-CD2 4.19Å; I340-V373 HydrophobicContact CD1-CG2 4.49Å; I340-V373 HydrophobicContact CG2-CG2 4.4Å; I340-P375 WeakPolarHBondContact O-CG 3.34Å; I340-V382 HydrophobicContact CD1-CB 4.22Å; I340-V382 HydrophobicContact CD1-CG1 3.57Å; I340-V382 HydrophobicContact CD1-CG2 3.59Å; I340-V382 HydrophobicContact CG1-CG2 4.45Å; I340-V405 HydrophobicContact CD1-CG1 4.02Å; I340-A409 HydrophobicContact CD1-CB 3.88Å; I340-A409 HydrophobicContact CG1-CB 3.86Å
341S81.4Confident76.9Confident48 Ų4860.4 Ų60.434%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-110.3147.7165.769.50000109.8A349 V350 T351S341-A349 CarbonylContact O-C 3.5Å; S341-A349 WeakPolarHBondContact O-CA 3.37Å; S341-V350 PolarHBondContact O-N 3.38Å; S341-T351 WeakPolarHBondContact CB-OG1 3.34Å; S341-T351 PolarHBondContact N-O 2.92Å; S341-T351 PolarHBondContact N-OG1 3.5Å; S341-T351 PolarHBondContact O-N 3.06Å; S341-T351 PolarHBondContact OG-OG1 3.44Å
342T84.8Confident76.5Confident38 Ų3860.2 Ų60.223%0.23332%0.324CS..EExtended strand (participates in β ladder)trans-128.8156.6-174.756.70000112.4I340 Q348 V373 R374I340-T342 HydrophobicContact CG2-CG2 4.09Å; T342-Q348 CarbonylContact C-O 3.57Å; T342-Q348 WeakPolarHBondContact CA-O 3.4Å; T342-Q348 WeakPolarHBondContact CB-O 3.37Å; T342-V373 WeakPolarHBondContact CG2-O 3.46Å; T342-R374 HydrophobicContact CG2-CB 4.36Å
343T85.4Confident76.7Confident73 Ų7364.5 Ų64.545%0.44835%0.354SS..EExtended strand (participates in β ladder)trans-129.6-177.6172.9-1680000109.8A345 E346 R347 Q348 V350T343-A345 PolarHBondContact O-N 2.91Å; T343-E346 PolarHBondContact O-N 3.38Å; T343-E346 VanDerWaalsContact O-N 3.13Å; T343-R347 PolarHBondContact O-N 3.5Å; T343-Q348 HydrophobicContact CG2-CB 3.87Å; T343-Q348 PolarHBondContact N-O 3.06Å; T343-Q348 PolarHBondContact O-N 2.81Å; T343-V350 HydrophobicContact CG2-CG2 3.57Å
344D85.4Confident77Confident68 Ų6865.1 Ų65.136%0.36436%0.364SS..THydrogen-bonded Turntrans52.856.2177.4-174.834.6000113.2E346 R347 Q348D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 3.15Å; D344-R347 VanDerWaalsContact O-CB 3.28Å; D344-R347 WeakPolarHBondContact O-CB 3.4Å; D344-R347 WeakPolarHBondContact O-CG 3.21Å; D344-R347 PolarHBondContact O-N 3.02Å; D344-R347 VanDerWaalsContact O-N 3.14Å; D344-R347 PolarHBondContact O-NE 3.2Å; D344-R347 IonicContact OD1-CZ 2.8Å; D344-R347 IonicContact OD1-NE 3.69Å; D344-R347 IonicContact OD1-NH2 3.48Å; D344-R347 PolarHBondContact OD1-NH2 2.84Å; D344-R347 IonicContact OD2-CZ 3.9Å; D344-R347 IonicContact OD2-NE 3.83Å; D344-R347 PolarHBondContact OD2-NE 2.82Å; D344-R347 IonicContact OD2-NH2 2.72Å; D344-R347 PolarHBondContact OD2-NH2 2.89Å; D344-R347 VanDerWaalsContact OD2-NH2 3.09Å; D344-Q348 HydrophobicContact CB-CB 4.47Å; D344-Q348 HydrophobicContact CB-CG 4.22Å
345A78.3Confident78.4Confident88 Ų8862.8 Ų62.873%0.72735%0.35SS*.THydrogen-bonded Turntrans53.944.7-175.100000112.9T343 R347T343-A345 PolarHBondContact O-N 2.91Å; A345-R347 PolarHBondContact O-N 3.43Å
346E81.8Confident80.1Confident77 Ų7762.2 Ų62.236%0.3634%0.341SS..THydrogen-bonded Turntrans6512.6-179.2-48.4-172.1137.900115.3T343 D344 R374T343-E346 PolarHBondContact O-N 3.38Å; T343-E346 VanDerWaalsContact O-N 3.13Å; D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 3.15Å; E346-R374 HydrophobicContact CB-CB 4.27Å; E346-R374 WeakPolarHBondContact OE2-CD 3.37Å; E346-R374 IonicContact OE2-CZ 2.87Å; E346-R374 IonicContact OE2-NE 3.11Å; E346-R374 IonicContact OE2-NH1 3.71Å; E346-R374 PolarHBondContact OE2-NH1 3.44Å
347R85.1Confident81.9Confident116 Ų11666.3 Ų66.344%0.43836%0.359SS..THydrogen-bonded Turntrans-86-13.8-179-61.2-179.4-65.7-178.90.7113.6T343 D344 A345 F372T343-R347 PolarHBondContact O-N 3.5Å; D344-R347 VanDerWaalsContact O-CB 3.28Å; D344-R347 WeakPolarHBondContact O-CB 3.4Å; D344-R347 WeakPolarHBondContact O-CG 3.21Å; D344-R347 PolarHBondContact O-N 3.02Å; D344-R347 VanDerWaalsContact O-N 3.14Å; D344-R347 PolarHBondContact O-NE 3.2Å; D344-R347 IonicContact OD1-CZ 2.8Å; D344-R347 IonicContact OD1-NE 3.69Å; D344-R347 IonicContact OD1-NH2 3.48Å; D344-R347 PolarHBondContact OD1-NH2 2.84Å; D344-R347 IonicContact OD2-CZ 3.9Å; D344-R347 IonicContact OD2-NE 3.83Å; D344-R347 PolarHBondContact OD2-NE 2.82Å; D344-R347 IonicContact OD2-NH2 2.72Å; D344-R347 PolarHBondContact OD2-NH2 2.89Å; D344-R347 VanDerWaalsContact OD2-NH2 3.09Å; A345-R347 PolarHBondContact O-N 3.43Å; R347-F372 WeakPolarHBondContact O-CB 3.47Å
348Q88.7Confident83.6Confident88 Ų8860.8 Ų60.841%0.41134%0.344SS..EExtended strand (participates in β ladder)trans-129.1127.1-179.9-65.9-174.9-0.400111T342 T343 D344 Q356T342-Q348 CarbonylContact C-O 3.57Å; T342-Q348 WeakPolarHBondContact CA-O 3.4Å; T342-Q348 WeakPolarHBondContact CB-O 3.37Å; T343-Q348 HydrophobicContact CG2-CB 3.87Å; T343-Q348 PolarHBondContact N-O 3.06Å; T343-Q348 PolarHBondContact O-N 2.81Å; D344-Q348 HydrophobicContact CB-CB 4.47Å; D344-Q348 HydrophobicContact CB-CG 4.22Å; Q348-Q356 VanDerWaalsContact CA-OE1 3.28Å; Q348-Q356 HydrophobicContact CB-CG 4.44Å
349A87.6Confident85.2Confident9 Ų955.4 Ų55.47%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-71.7129.7168.600000110.3I340 S341 L355 Q356 V373I340-A349 HydrophobicContact CG2-CB 4.44Å; S341-A349 CarbonylContact O-C 3.5Å; S341-A349 WeakPolarHBondContact O-CA 3.37Å; A349-L355 HydrophobicContact CB-CD2 4.1Å; A349-L355 HydrophobicContact CB-CG 4.27Å; A349-Q356 HydrophobicContact CB-CB 4.27Å; A349-Q356 VanDerWaalsContact O-CB 3.26Å; A349-Q356 WeakPolarHBondContact O-CB 3.28Å; A349-V373 HydrophobicContact CB-CG2 4.25Å
350V86.3Confident86.6Confident81 Ų8155.4 Ų55.449%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-93.9-36.7170.9179.80000109.7S341 T343S341-V350 PolarHBondContact O-N 3.38Å; T343-V350 HydrophobicContact CG2-CG2 3.57Å
351T78.3Confident87.6Confident45 Ų4559.5 Ų59.528%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-132152.1175.559.80000110.6I340 S341I340-T351 WeakPolarHBondContact CA-O 3.24Å; S341-T351 WeakPolarHBondContact CB-OG1 3.34Å; S341-T351 PolarHBondContact N-O 2.92Å; S341-T351 PolarHBondContact N-OG1 3.5Å; S341-T351 PolarHBondContact O-N 3.06Å; S341-T351 PolarHBondContact OG-OG1 3.44Å
352P81.8Confident88.3Confident23 Ų2358.2 Ų58.215%0.14933%0.332CS..SBendcis-67.9153.5-8.729-35000112.5G354 L355 L408 A409P352-G354 PolarHBondContact O-N 2.83Å; P352-L355 HydrophobicContact CG-CB 4.01Å; P352-L355 HydrophobicContact CG-CD2 4.21Å; P352-L355 WeakPolarHBondContact O-CB 3.47Å; P352-L355 PolarHBondContact O-N 3.45Å; P352-L355 VanDerWaalsContact O-N 3.16Å; P352-L408 HydrophobicContact CG-CB 4.38Å; P352-L408 VanDerWaalsContact CG-O 3.27Å; P352-L408 WeakPolarHBondContact CG-O 3.34Å; P352-A409 HydrophobicContact CG-CB 4.1Å
353P81.6Confident88.8Confident118 Ų11857.7 Ų57.777%0.76633%0.329SS*.THydrogen-bonded Turntrans-52.8140.1175-25.434.3000111.8L355P353-L355 VanDerWaalsContact C-N 3.27Å; P353-L355 PolarHBondContact O-N 3.35Å
354G87.5Confident89.4Confident28 Ų2861.5 Ų61.529%0.28934%0.34SS..THydrogen-bonded Turntrans83.3-17-177.500000115.3P352 E357 A358P352-G354 PolarHBondContact O-N 2.83Å; G354-E357 PolarHBondContact O-N 2.73Å; G354-A358 WeakPolarHBondContact O-CB 3.38Å; G354-A358 PolarHBondContact O-N 2.98Å
355L91.3Very high89.8Confident0 Ų064.4 Ų64.40%035%0.349CS..Hα-helixtrans-63.5-47.2178.1178.559.4000112I340 A349 P352 P353 E357 A358 I359 V373 V405 L408I340-L355 HydrophobicContact CD1-CD2 3.92Å; I340-L355 HydrophobicContact CG1-CD2 4.19Å; A349-L355 HydrophobicContact CB-CD2 4.1Å; A349-L355 HydrophobicContact CB-CG 4.27Å; P352-L355 HydrophobicContact CG-CB 4.01Å; P352-L355 HydrophobicContact CG-CD2 4.21Å; P352-L355 WeakPolarHBondContact O-CB 3.47Å; P352-L355 PolarHBondContact O-N 3.45Å; P352-L355 VanDerWaalsContact O-N 3.16Å; P353-L355 VanDerWaalsContact C-N 3.27Å; P353-L355 PolarHBondContact O-N 3.35Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.78Å; L355-A358 PolarHBondContact O-N 2.99Å; L355-I359 HydrophobicContact CD1-CD1 4.12Å; L355-I359 HydrophobicContact CD1-CG1 4.35Å; L355-I359 HydrophobicContact CG-CD1 3.99Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.28Å; L355-I359 PolarHBondContact O-N 3.39Å; L355-V373 HydrophobicContact CD2-CG2 4.06Å; L355-V405 HydrophobicContact CD1-CG2 4.08Å; L355-V405 HydrophobicContact CD2-CG2 4.48Å; L355-L408 HydrophobicContact CB-CD1 4.45Å; L355-L408 HydrophobicContact CD1-CB 4.34Å; L355-L408 HydrophobicContact CD1-CD1 4.09Å
356Q95.8Very high90.6Very high25 Ų2562.5 Ų62.512%0.11732%0.323CS..Hα-helixtrans-66.4-34.7178.8-172.557.84400112.5Q348 A349 I359 N360Q348-Q356 VanDerWaalsContact CA-OE1 3.28Å; Q348-Q356 HydrophobicContact CB-CG 4.44Å; A349-Q356 HydrophobicContact CB-CB 4.27Å; A349-Q356 VanDerWaalsContact O-CB 3.26Å; A349-Q356 WeakPolarHBondContact O-CB 3.28Å; Q356-I359 PolarHBondContact O-N 2.95Å; Q356-N360 PolarHBondContact NE2-OD1 3.5Å; Q356-N360 WeakPolarHBondContact O-CB 3.44Å; Q356-N360 PolarHBondContact O-N 3.27Å; Q356-N360 PolarHBondContact O-ND2 3.29Å; Q356-N360 PolarHBondContact O-OD1 3.39Å
357E94.1Very high91.1Very high132 Ų13266.3 Ų66.362%0.61734%0.339SS*.Hα-helixtrans-64.4-45.4175.9-65.9167.4167.400110.4G354 L355 I359 N360 D361G354-E357 PolarHBondContact O-N 2.73Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.78Å; E357-I359 PolarHBondContact O-N 2.87Å; E357-N360 WeakPolarHBondContact O-CB 3.43Å; E357-N360 PolarHBondContact O-N 2.85Å; E357-D361 PolarHBondContact O-N 3.07Å
358A94.6Very high91.3Very high29 Ų2968.1 Ų68.124%0.2436%0.356CS..Hα-helixtrans-59.6-45.417400000112G354 L355 N360 D361 L362 L408G354-A358 WeakPolarHBondContact O-CB 3.38Å; G354-A358 PolarHBondContact O-N 2.98Å; L355-A358 PolarHBondContact O-N 2.99Å; A358-N360 VanDerWaalsContact C-N 3.35Å; A358-N360 PolarHBondContact O-N 2.98Å; A358-D361 PolarHBondContact O-N 3.48Å; A358-L362 VanDerWaalsContact O-CG 3.29Å; A358-L362 WeakPolarHBondContact O-CG 3.42Å; A358-L362 PolarHBondContact O-N 3.01Å; A358-L408 HydrophobicContact CB-CD1 3.87Å
359I96.1Very high91.5Very high0 Ų065.2 Ų65.20%035%0.346CS..Hα-helixtrans-59.7-46.4175.7-67.4165.9000110.5L355 Q356 E357 D361 L362 V363 A371 V373 V401L355-I359 HydrophobicContact CD1-CD1 4.12Å; L355-I359 HydrophobicContact CD1-CG1 4.35Å; L355-I359 HydrophobicContact CG-CD1 3.99Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.28Å; L355-I359 PolarHBondContact O-N 3.39Å; Q356-I359 PolarHBondContact O-N 2.95Å; E357-I359 PolarHBondContact O-N 2.87Å; I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.31Å; I359-L362 PolarHBondContact O-N 3.35Å; I359-V363 HydrophobicContact CG2-CG2 4.29Å; I359-V363 VanDerWaalsContact O-CG2 3.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 3.03Å; I359-A371 HydrophobicContact CG2-CB 4.38Å; I359-V373 HydrophobicContact CD1-CB 4.37Å; I359-V373 HydrophobicContact CD1-CG1 3.81Å; I359-V373 HydrophobicContact CD1-CG2 3.65Å; I359-V401 HydrophobicContact CD1-CG1 4.48Å; I359-V401 HydrophobicContact CG1-CG1 4.12Å
360N96.7Very high91.8Very high72 Ų7269.9 Ų69.939%0.38536%0.361SS..Hα-helixtrans-60.2-39.7179.2-69.6-18.5000112Q356 E357 A358 K364Q356-N360 PolarHBondContact NE2-OD1 3.5Å; Q356-N360 WeakPolarHBondContact O-CB 3.44Å; Q356-N360 PolarHBondContact O-N 3.27Å; Q356-N360 PolarHBondContact O-ND2 3.29Å; Q356-N360 PolarHBondContact O-OD1 3.39Å; E357-N360 WeakPolarHBondContact O-CB 3.43Å; E357-N360 PolarHBondContact O-N 2.85Å; A358-N360 VanDerWaalsContact C-N 3.35Å; A358-N360 PolarHBondContact O-N 2.98Å; N360-K364 WeakPolarHBondContact O-CG 3.4Å; N360-K364 PolarHBondContact O-N 3.25Å
361D96.8Very high92.2Very high91 Ų9166.5 Ų66.549%0.48734%0.342SS..Hα-helixtrans-72.3-34.3178.9-74.2-18000112.9E357 A358 I359 K364E357-D361 PolarHBondContact O-N 3.07Å; A358-D361 PolarHBondContact O-N 3.48Å; I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.31Å; D361-K364 IonicContact OD1-NZ 2.85Å; D361-K364 PolarHBondContact OD1-NZ 2.81Å
362L96.9Very high92.8Very high21 Ų2166.4 Ų66.411%0.1134%0.338CS..Hα-helixtrans-65.5-46.3172.1-69.2175000111.6A358 I359 K364 K365 Y366 L397 E400 V401 A404A358-L362 VanDerWaalsContact O-CG 3.29Å; A358-L362 WeakPolarHBondContact O-CG 3.42Å; A358-L362 PolarHBondContact O-N 3.01Å; I359-L362 PolarHBondContact O-N 3.35Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 2.68Å; L362-K365 HydrophobicContact CD2-CD 4.48Å; L362-K365 WeakPolarHBondContact O-CB 3.33Å; L362-K365 PolarHBondContact O-N 3.41Å; L362-K365 VanDerWaalsContact O-N 3.09Å; L362-Y366 WeakPolarHBondContact O-CD2 3.37Å; L362-L397 HydrophobicContact CB-CD1 3.98Å; L362-E400 HydrophobicContact CD1-CB 3.94Å; L362-E400 HydrophobicContact CD2-CB 3.86Å; L362-E400 HydrophobicContact CD2-CG 4.34Å; L362-E400 HydrophobicContact CG-CB 4.44Å; L362-V401 HydrophobicContact CB-CG2 4.44Å; L362-V401 HydrophobicContact CD1-CG2 3.84Å; L362-A404 HydrophobicContact CD1-CB 4.2Å
363V95.5Very high93.3Very high28 Ų2865.3 Ų65.317%0.1733%0.331CS..Hα-helixtrans-57.6-40.3180170.30000111.5I359 K365 Y366 S369 A371 L397I359-V363 HydrophobicContact CG2-CG2 4.29Å; I359-V363 VanDerWaalsContact O-CG2 3.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 3.03Å; V363-K365 PolarHBondContact O-N 3.31Å; V363-K365 VanDerWaalsContact O-N 3.11Å; V363-Y366 PolarHBondContact O-N 2.92Å; V363-Y366 VanDerWaalsContact O-N 3.16Å; V363-S369 WeakPolarHBondContact CG1-OG 2.93Å; V363-S369 PolarHBondContact O-OG 2.99Å; V363-A371 HydrophobicContact CG2-CB 3.78Å; V363-L397 HydrophobicContact CG2-CD1 4.35Å; V363-L397 HydrophobicContact CG2-CD2 4.41Å
364K96.3Very high93.5Very high152 Ų15264 Ų6466%0.66131%0.31SS*.THydrogen-bonded Turntrans-59.4-21.5178.9-72.1168.8-163.51610114.4N360 D361 L362 Y366N360-K364 WeakPolarHBondContact O-CG 3.4Å; N360-K364 PolarHBondContact O-N 3.25Å; D361-K364 IonicContact OD1-NZ 2.85Å; D361-K364 PolarHBondContact OD1-NZ 2.81Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 2.68Å; K364-Y366 VanDerWaalsContact C-N 3.28Å
365K95.2Very high93.1Very high130 Ų13064.2 Ų64.257%0.56531%0.307SS*.THydrogen-bonded Turntrans-73.3-21.5-179.8-59.1180-172.1174.90112.9L362 V363 E400L362-K365 HydrophobicContact CD2-CD 4.48Å; L362-K365 WeakPolarHBondContact O-CB 3.33Å; L362-K365 PolarHBondContact O-N 3.41Å; L362-K365 VanDerWaalsContact O-N 3.09Å; V363-K365 PolarHBondContact O-N 3.31Å; V363-K365 VanDerWaalsContact O-N 3.11Å; K365-E400 IonicContact NZ-OE1 3.34Å; K365-E400 PolarHBondContact NZ-OE1 3.22Å; K365-E400 IonicContact NZ-OE2 3.31Å
366Y94.8Very high92Very high48 Ų4865 Ų6519%0.18831%0.312CS..SBendtrans-111.9156.7-173.7-58.1-88000111.1L362 V363 K364 S369 H396 L397 E400L362-Y366 WeakPolarHBondContact O-CD2 3.37Å; V363-Y366 PolarHBondContact O-N 2.92Å; V363-Y366 VanDerWaalsContact O-N 3.16Å; K364-Y366 VanDerWaalsContact C-N 3.28Å; Y366-S369 PolarHBondContact O-OG 3.35Å; Y366-H396 HydrophobicContact CE1-CB 4.07Å; Y366-L397 HydrophobicContact CD2-CB 3.99Å; Y366-L397 HydrophobicContact CD2-CD1 3.85Å; Y366-L397 HydrophobicContact CD2-CD2 4.32Å; Y366-L397 HydrophobicContact CD2-CG 4.26Å; Y366-L397 HydrophobicContact CE2-CB 3.89Å; Y366-L397 HydrophobicContact CE2-CD1 3.86Å; Y366-L397 HydrophobicContact CE2-CG 4.4Å; Y366-L397 HydrophobicContact CG-CB 4.46Å; Y366-E400 VanDerWaalsContact CE2-OE2 3.3Å; Y366-E400 WeakPolarHBondContact CE2-OE2 2.85Å; Y366-E400 PolarHBondContact OH-OE2 3.44Å
367K91.4Very high90.1Very high157 Ų15766.1 Ų66.168%0.68333%0.33SS*.SBendtrans-92.1147.9176.9-69.6179.6-178174.30110.3S369 D389K367-S369 PolarHBondContact O-N 3.42Å; K367-S369 VanDerWaalsContact O-N 3.13Å; K367-D389 HydrophobicContact CB-CB 4.15Å; K367-D389 WeakPolarHBondContact O-CB 3.34Å; K367-D389 PolarHBondContact O-N 3.27Å
368L89.3Confident88Confident153 Ų15362 Ų6280%0.80131%0.314SS*.SBendtrans47.141.5-179.8-59.6175.4000112.1A388 D389L368-A388 WeakPolarHBondContact O-CA 3.41Å; L368-D389 HydrophobicContact CB-CB 4.19Å; L368-D389 HydrophobicContact CD1-CB 4.28Å; L368-D389 HydrophobicContact CG-CB 4.5Å
369S94.4Very high86.2Confident27 Ų2762.8 Ų62.819%0.18931%0.313CS..  trans-106.2150.4-167.955.70000112.9V363 Y366 K367 E387V363-S369 WeakPolarHBondContact CG1-OG 2.93Å; V363-S369 PolarHBondContact O-OG 2.99Å; Y366-S369 PolarHBondContact O-OG 3.35Å; K367-S369 PolarHBondContact O-N 3.42Å; K367-S369 VanDerWaalsContact O-N 3.13Å; S369-E387 CarbonylContact C-O 3.54Å; S369-E387 WeakPolarHBondContact CA-O 3.35Å
370R93.8Very high84.7Confident108 Ų10866.4 Ų66.441%0.40833%0.332SS..EExtended strand (participates in β ladder)trans-153.8138.1171179.1174.559.5145.46108.9A386 E387R370-A386 CarbonylContact O-C 3.59Å; R370-A386 WeakPolarHBondContact O-CA 3.27Å; R370-E387 HydrophobicContact CB-CG 3.78Å; R370-E387 WeakPolarHBondContact CB-OE1 3.18Å; R370-E387 IonicContact CZ-OE1 2.63Å; R370-E387 VanDerWaalsContact CZ-OE1 3.3Å; R370-E387 IonicContact CZ-OE2 3.48Å; R370-E387 PolarHBondContact N-O 3.37Å; R370-E387 IonicContact NE-OE1 3.72Å; R370-E387 PolarHBondContact NE-OE1 2.95Å; R370-E387 IonicContact NE-OE2 3.88Å; R370-E387 IonicContact NH2-OE1 3.56Å; R370-E387 PolarHBondContact NH2-OE1 3.02Å; R370-E387 VanDerWaalsContact NH2-OE1 3.1Å; R370-E387 IonicContact NH2-OE2 3.1Å; R370-E387 PolarHBondContact NH2-OE2 3.09Å; R370-E387 PolarHBondContact O-N 3.39Å
371A94.4Very high83.6Confident9 Ų966.1 Ų66.17%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-142.4148.8172.500000110.4I359 V363 Y385 A386 L397 V401I359-A371 HydrophobicContact CG2-CB 4.38Å; V363-A371 HydrophobicContact CG2-CB 3.78Å; A371-Y385 WeakPolarHBondContact CA-O 3.34Å; A371-Y385 VanDerWaalsContact CB-O 3.27Å; A371-Y385 WeakPolarHBondContact CB-O 3.48Å; A371-A386 HydrophobicContact CB-CB 4.16Å; A371-L397 HydrophobicContact CB-CD1 4.43Å; A371-L397 HydrophobicContact CB-CD2 4.06Å; A371-L397 HydrophobicContact CB-CG 4.15Å; A371-V401 HydrophobicContact CB-CG2 3.98Å
372F90.9Very high83Confident44 Ų4464.5 Ų64.519%0.19333%0.326CS..EExtended strand (participates in β ladder)trans-154163.917362.8-87.6000109.8R347 Y385R347-F372 WeakPolarHBondContact O-CB 3.47Å; F372-Y385 AromaticContact CD1-CD1 3.74Å; F372-Y385 HydrophobicContact CD1-CD1 3.74Å; F372-Y385 HydrophobicContact CD1-CG 4.2Å; F372-Y385 AromaticContact CE1-CD1 3.25Å; F372-Y385 HydrophobicContact CE1-CD1 3.25Å; F372-Y385 HydrophobicContact CE1-CD2 4.44Å; F372-Y385 AromaticContact CE1-CE1 3.97Å; F372-Y385 HydrophobicContact CE1-CE1 3.97Å; F372-Y385 AromaticContact CE1-CG 3.53Å; F372-Y385 HydrophobicContact CE1-CG 3.53Å; F372-Y385 HydrophobicContact CZ-CD1 4Å; F372-Y385 HydrophobicContact CZ-CD2 4.44Å; F372-Y385 AromaticContact CZ-CG 3.79Å; F372-Y385 HydrophobicContact CZ-CG 3.79Å; F372-Y385 PolarHBondContact N-O 3.01Å; F372-Y385 VanDerWaalsContact N-O 3.09Å; F372-Y385 PolarHBondContact O-N 3.17Å
373V91.8Very high82.4Confident0 Ų068 Ų680%034%0.338CS..EExtended strand (participates in β ladder)trans-132.7145.2-176.4-55.10000109.3I340 T342 A349 L355 I359 V382 R383 V384 V401 V405I340-V373 HydrophobicContact CD1-CG2 4.49Å; I340-V373 HydrophobicContact CG2-CG2 4.4Å; T342-V373 WeakPolarHBondContact CG2-O 3.46Å; A349-V373 HydrophobicContact CB-CG2 4.25Å; L355-V373 HydrophobicContact CD2-CG2 4.06Å; I359-V373 HydrophobicContact CD1-CB 4.37Å; I359-V373 HydrophobicContact CD1-CG1 3.81Å; I359-V373 HydrophobicContact CD1-CG2 3.65Å; V373-V382 HydrophobicContact CB-CG1 4.2Å; V373-R383 VanDerWaalsContact CA-O 3.32Å; V373-R383 WeakPolarHBondContact CA-O 3.26Å; V373-V384 HydrophobicContact CG1-CB 4.49Å; V373-V384 HydrophobicContact CG1-CG1 4.33Å; V373-V384 HydrophobicContact CG1-CG2 4.02Å; V373-V401 HydrophobicContact CG1-CG1 3.49Å; V373-V401 VanDerWaalsContact CG1-CG1 3.49Å; V373-V405 HydrophobicContact CB-CG2 4.17Å; V373-V405 HydrophobicContact CG1-CG2 3.65Å; V373-V405 HydrophobicContact CG2-CG2 4.33Å
374R85.1Confident82.1Confident89 Ų8968.9 Ų68.934%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-146.3147.1173.564.7173.2-171.51395.7111.3T342 E346 R383T342-R374 HydrophobicContact CG2-CB 4.36Å; E346-R374 HydrophobicContact CB-CB 4.27Å; E346-R374 WeakPolarHBondContact OE2-CD 3.37Å; E346-R374 IonicContact OE2-CZ 2.87Å; E346-R374 IonicContact OE2-NE 3.11Å; E346-R374 IonicContact OE2-NH1 3.71Å; E346-R374 PolarHBondContact OE2-NH1 3.44Å; R374-R383 HydrophobicContact CG-CB 4.24Å; R374-R383 PolarHBondContact N-O 3.25Å; R374-R383 PolarHBondContact O-N 3.19Å
375P79Confident81.8Confident34 Ų3466.2 Ų66.222%0.22133%0.33CS..EExtended strand (participates in β ladder)trans-62.6145.6166.831-36.7000109.7I340I340-P375 WeakPolarHBondContact O-CG 3.34Å
376S69Low81.6Confident15 Ų1561.1 Ų61.111%0.10531%0.312CS..  trans-72.5136.1166.3-171.80000109.4T378 E379 V381 R383S376-T378 PolarHBondContact O-N 3.34Å; S376-T378 PolarHBondContact OG-OG1 3.01Å; S376-E379 WeakPolarHBondContact CB-O 3.12Å; S376-E379 PolarHBondContact OG-N 3.2Å; S376-V381 WeakPolarHBondContact CB-O 3.28Å; S376-V381 PolarHBondContact N-O 3.5Å; S376-R383 PolarHBondContact OG-NH2 3.14Å; S376-R383 VanDerWaalsContact OG-NH2 3.14Å
377G56.5Low81.2Confident49 Ų4961.9 Ų61.951%0.50532%0.317SS..SBendtrans-74.5-16.317600000113.6W6W6-G377 PolarHBondContact NE1-O 2.93Å; W6-G377 VanDerWaalsContact NE1-O 3.11Å
378T49.9Very low81.4Confident46 Ų4655.5 Ų55.528%0.28229%0.294SS..SBendtrans-119.8-19.6-169.948.20000113.4W6 E32 V34 S376W6-T378 HydrophobicContact CH2-CG2 4.28Å; W6-T378 HydrophobicContact CZ2-CG2 3.83Å; E32-T378 HydrophobicContact CB-CG2 3.97Å; E32-T378 WeakPolarHBondContact O-CG2 3.18Å; V34-T378 HydrophobicContact CG2-CG2 3.74Å; S376-T378 PolarHBondContact O-N 3.34Å; S376-T378 PolarHBondContact OG-OG1 3.01Å
379E57.3Low81.6Confident45 Ų4552.1 Ų52.121%0.2128%0.277CS..SBendtrans-129.6151.7-173-64.917981.300110.2Q38 S376 V381 R383Q38-E379 VanDerWaalsContact CD-OE1 3.27Å; Q38-E379 PolarHBondContact NE2-OE1 3.14Å; Q38-E379 PolarHBondContact OE1-OE1 2.88Å; S376-E379 WeakPolarHBondContact CB-O 3.12Å; S376-E379 PolarHBondContact OG-N 3.2Å; E379-V381 HydrophobicContact CB-CG1 4.46Å; E379-V381 HydrophobicContact CB-CG2 3.7Å; E379-V381 PolarHBondContact O-N 3.39Å; E379-R383 IonicContact OE2-CZ 2.94Å; E379-R383 IonicContact OE2-NH1 3.44Å; E379-R383 IonicContact OE2-NH2 3.45Å; E379-R383 PolarHBondContact OE2-NH2 3.36Å
380D64.6Low81.4Confident76 Ų7653.1 Ų53.141%0.40628%0.284SS..SBendtrans-81.954.4175.7-148.4-12.3000110.8R337R337-D380 IonicContact CZ-OD2 3.3Å; R337-D380 IonicContact NE-OD2 2.75Å; R337-D380 PolarHBondContact NE-OD2 2.93Å; R337-D380 VanDerWaalsContact NE-OD2 3.14Å; R337-D380 IonicContact NH2-OD2 3.1Å
381V73.1Confident81.2Confident66 Ų6654.4 Ų54.440%0.430%0.295SS..SBendtrans-138.1154.8-177.3-55.90000110.7S376 E379S376-V381 WeakPolarHBondContact CB-O 3.28Å; S376-V381 PolarHBondContact N-O 3.5Å; E379-V381 HydrophobicContact CB-CG1 4.46Å; E379-V381 HydrophobicContact CB-CG2 3.7Å; E379-V381 PolarHBondContact O-N 3.39Å
382V83.1Confident81.1Confident57 Ų5760.6 Ų60.635%0.34532%0.322SS..EExtended strand (participates in β ladder)trans-100.6128.7168.8179.50000108.1I340 V373 V405I340-V382 HydrophobicContact CD1-CB 4.22Å; I340-V382 HydrophobicContact CD1-CG1 3.57Å; I340-V382 HydrophobicContact CD1-CG2 3.59Å; I340-V382 HydrophobicContact CG1-CG2 4.45Å; V373-V382 HydrophobicContact CB-CG1 4.2Å; V382-V405 HydrophobicContact CB-CG1 4.1Å; V382-V405 HydrophobicContact CG1-CG1 3.91Å; V382-V405 HydrophobicContact CG2-CG1 4.26Å
383R84.2Confident81.3Confident96 Ų9659.6 Ų59.636%0.36232%0.32SS..EExtended strand (participates in β ladder)trans-89.4129.9174.1-58.4-168.4-172-811.6109.4V373 R374 S376 E379V373-R383 VanDerWaalsContact CA-O 3.32Å; V373-R383 WeakPolarHBondContact CA-O 3.26Å; R374-R383 HydrophobicContact CG-CB 4.24Å; R374-R383 PolarHBondContact N-O 3.25Å; R374-R383 PolarHBondContact O-N 3.19Å; S376-R383 PolarHBondContact OG-NH2 3.14Å; S376-R383 VanDerWaalsContact OG-NH2 3.14Å; E379-R383 IonicContact OE2-CZ 2.94Å; E379-R383 IonicContact OE2-NH1 3.44Å; E379-R383 IonicContact OE2-NH2 3.45Å; E379-R383 PolarHBondContact OE2-NH2 3.36Å
384V90.4Very high81.1Confident46 Ų4660.2 Ų60.228%0.27933%0.325SS..EExtended strand (participates in β ladder)trans-109.9128.6174.7-179.90000108.5V373 V401 V405V373-V384 HydrophobicContact CG1-CB 4.49Å; V373-V384 HydrophobicContact CG1-CG1 4.33Å; V373-V384 HydrophobicContact CG1-CG2 4.02Å; V384-V401 HydrophobicContact CG1-CB 3.94Å; V384-V401 HydrophobicContact CG1-CG1 3.55Å; V384-V401 HydrophobicContact CG2-CG1 4.5Å; V384-V405 HydrophobicContact CG2-CG2 4.39Å
385Y88.9Confident81.4Confident95 Ų9559.8 Ų59.837%0.37333%0.33SS..EExtended strand (participates in β ladder)trans-112.4137.7170.7178.6-88.3000109.3A371 F372 E387A371-Y385 WeakPolarHBondContact CA-O 3.34Å; A371-Y385 VanDerWaalsContact CB-O 3.27Å; A371-Y385 WeakPolarHBondContact CB-O 3.48Å; F372-Y385 AromaticContact CD1-CD1 3.74Å; F372-Y385 HydrophobicContact CD1-CD1 3.74Å; F372-Y385 HydrophobicContact CD1-CG 4.2Å; F372-Y385 AromaticContact CE1-CD1 3.25Å; F372-Y385 HydrophobicContact CE1-CD1 3.25Å; F372-Y385 HydrophobicContact CE1-CD2 4.44Å; F372-Y385 AromaticContact CE1-CE1 3.97Å; F372-Y385 HydrophobicContact CE1-CE1 3.97Å; F372-Y385 AromaticContact CE1-CG 3.53Å; F372-Y385 HydrophobicContact CE1-CG 3.53Å; F372-Y385 HydrophobicContact CZ-CD1 4Å; F372-Y385 HydrophobicContact CZ-CD2 4.44Å; F372-Y385 AromaticContact CZ-CG 3.79Å; F372-Y385 HydrophobicContact CZ-CG 3.79Å; F372-Y385 PolarHBondContact N-O 3.01Å; F372-Y385 VanDerWaalsContact N-O 3.09Å; F372-Y385 PolarHBondContact O-N 3.17Å; Y385-E387 HydrophobicContact CE1-CB 4.09Å; Y385-E387 HydrophobicContact CE1-CG 4.02Å; Y385-E387 WeakPolarHBondContact CE1-OE2 3.44Å; Y385-E387 PolarHBondContact OH-OE2 3.3Å
386A91.8Very high82.2Confident24 Ų2462.9 Ų62.920%0.19834%0.341CS..EExtended strand (participates in β ladder)trans-144.5142.117000000111.1R370 A371 L397 A398R370-A386 CarbonylContact O-C 3.59Å; R370-A386 WeakPolarHBondContact O-CA 3.27Å; A371-A386 HydrophobicContact CB-CB 4.16Å; A386-L397 HydrophobicContact CB-CB 4.22Å; A386-L397 HydrophobicContact CB-CD2 4.12Å; A386-L397 HydrophobicContact CB-CG 3.94Å; A386-A398 HydrophobicContact CB-CB 3.84Å
387E87.1Confident83.4Confident63 Ų6362.1 Ų62.129%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-135153.4169.367.8-168.6-164.700109.2S369 R370 Y385S369-E387 CarbonylContact C-O 3.54Å; S369-E387 WeakPolarHBondContact CA-O 3.35Å; R370-E387 HydrophobicContact CB-CG 3.78Å; R370-E387 WeakPolarHBondContact CB-OE1 3.18Å; R370-E387 IonicContact CZ-OE1 2.63Å; R370-E387 VanDerWaalsContact CZ-OE1 3.3Å; R370-E387 IonicContact CZ-OE2 3.48Å; R370-E387 PolarHBondContact N-O 3.37Å; R370-E387 IonicContact NE-OE1 3.72Å; R370-E387 PolarHBondContact NE-OE1 2.95Å; R370-E387 IonicContact NE-OE2 3.88Å; R370-E387 IonicContact NH2-OE1 3.56Å; R370-E387 PolarHBondContact NH2-OE1 3.02Å; R370-E387 VanDerWaalsContact NH2-OE1 3.1Å; R370-E387 IonicContact NH2-OE2 3.1Å; R370-E387 PolarHBondContact NH2-OE2 3.09Å; R370-E387 PolarHBondContact O-N 3.39Å; Y385-E387 HydrophobicContact CE1-CB 4.09Å; Y385-E387 HydrophobicContact CE1-CG 4.02Å; Y385-E387 WeakPolarHBondContact CE1-OE2 3.44Å; Y385-E387 PolarHBondContact OH-OE2 3.3Å
388A94.6Very high85.2Confident23 Ų2361.2 Ų61.219%0.1932%0.324CS..  trans-157.4-178.9177.500000111L368 S390 S393 A394L368-A388 WeakPolarHBondContact O-CA 3.41Å; A388-S390 VanDerWaalsContact C-N 3.27Å; A388-S390 PolarHBondContact O-N 3.5Å; A388-S393 VanDerWaalsContact CB-CB 3.43Å; A388-A394 HydrophobicContact CB-CB 4.14Å
389D93.1Very high87.3Confident83 Ų8360.8 Ų60.844%0.44432%0.318SS..SBendtrans-67-19.7178.967.1-30.2000115.2K367 L368 S393K367-D389 HydrophobicContact CB-CB 4.15Å; K367-D389 WeakPolarHBondContact O-CB 3.34Å; K367-D389 PolarHBondContact O-N 3.27Å; L368-D389 HydrophobicContact CB-CB 4.19Å; L368-D389 HydrophobicContact CD1-CB 4.28Å; L368-D389 HydrophobicContact CG-CB 4.5Å; D389-S393 PolarHBondContact OD1-OG 2.88Å
390S92.1Very high89.1Confident48 Ų4861 Ų6134%0.33632%0.319SS..SBendtrans-139.8158174.980.40000111.2A388 E392 S393 A394A388-S390 VanDerWaalsContact C-N 3.27Å; A388-S390 PolarHBondContact O-N 3.5Å; S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 PolarHBondContact O-N 3.25Å; S390-S393 WeakPolarHBondContact O-CB 3.47Å; S390-S393 PolarHBondContact O-N 2.63Å; S390-S393 WeakPolarHBondContact OG-CB 3.32Å; S390-S393 PolarHBondContact OG-N 3.27Å; S390-S393 VanDerWaalsContact OG-N 3.1Å; S390-S393 PolarHBondContact OG-OG 3.43Å; S390-A394 PolarHBondContact O-N 2.89Å
391Q88.4Confident90.6Very high135 Ų13557.3 Ų57.363%0.63130%0.3SS*.Hα-helixtrans-59.3-43.6176.2-173.164.253.500111.3S393 A394 D395Q391-S393 PolarHBondContact O-N 2.63Å; Q391-A394 PolarHBondContact O-N 2.96Å; Q391-A394 VanDerWaalsContact O-N 3.12Å; Q391-D395 PolarHBondContact NE2-OD1 2.98Å; Q391-D395 VanDerWaalsContact O-CG 3.23Å; Q391-D395 PolarHBondContact O-N 2.82Å
392E93.3Very high91.6Very high139 Ų13955.7 Ų55.765%0.6529%0.291SS*.Hα-helixtrans-60-44.9178.2-174.6176.3-168.400111.4S390 A394 D395 H396S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 PolarHBondContact O-N 3.25Å; E392-A394 VanDerWaalsContact C-N 3.34Å; E392-A394 PolarHBondContact O-N 3.46Å; E392-D395 PolarHBondContact O-N 2.97Å; E392-H396 WeakPolarHBondContact O-CB 3.42Å; E392-H396 PolarHBondContact O-CD2 2.79Å; E392-H396 VanDerWaalsContact O-CD2 3.26Å; E392-H396 PolarHBondContact O-N 2.95Å
393S93.9Very high92Very high23 Ų2354.6 Ų54.616%0.16128%0.283CS..Hα-helixtrans-60.3-41.7174-65.20000112.2A388 D389 S390 Q391 L397A388-S393 VanDerWaalsContact CB-CB 3.43Å; D389-S393 PolarHBondContact OD1-OG 2.88Å; S390-S393 WeakPolarHBondContact O-CB 3.47Å; S390-S393 PolarHBondContact O-N 2.63Å; S390-S393 WeakPolarHBondContact OG-CB 3.32Å; S390-S393 PolarHBondContact OG-N 3.27Å; S390-S393 VanDerWaalsContact OG-N 3.1Å; S390-S393 PolarHBondContact OG-OG 3.43Å; Q391-S393 PolarHBondContact O-N 2.63Å; S393-L397 WeakPolarHBondContact O-CB 3.2Å; S393-L397 PolarHBondContact O-N 3.13Å
394A88.7Confident92.4Very high12 Ų1250.6 Ų50.610%0.09927%0.27CS..Hα-helixtrans-68.8-42.8-178.300000111.8A388 S390 Q391 E392 L397 A398A388-A394 HydrophobicContact CB-CB 4.14Å; S390-A394 PolarHBondContact O-N 2.89Å; Q391-A394 PolarHBondContact O-N 2.96Å; Q391-A394 VanDerWaalsContact O-N 3.12Å; E392-A394 VanDerWaalsContact C-N 3.34Å; E392-A394 PolarHBondContact O-N 3.46Å; A394-L397 PolarHBondContact O-N 2.74Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.14Å
395D90.6Very high92.4Very high81 Ų8149 Ų4943%0.43326%0.261SS..Hα-helixtrans-65.1-42.6178.1-64.6-19.6000111.1Q391 E392 A398 H399Q391-D395 PolarHBondContact NE2-OD1 2.98Å; Q391-D395 VanDerWaalsContact O-CG 3.23Å; Q391-D395 PolarHBondContact O-N 2.82Å; E392-D395 PolarHBondContact O-N 2.97Å; D395-A398 PolarHBondContact O-N 3.46Å; D395-H399 WeakPolarHBondContact O-CB 3.38Å; D395-H399 PolarHBondContact O-N 3.36Å
396H95.1Very high92.3Very high98 Ų9847.2 Ų47.245%0.45426%0.255SS..Hα-helixtrans-62.9-44.5174.5-89.3-69.8000112.3Y366 E392 H399 E400Y366-H396 HydrophobicContact CE1-CB 4.07Å; E392-H396 WeakPolarHBondContact O-CB 3.42Å; E392-H396 PolarHBondContact O-CD2 2.79Å; E392-H396 VanDerWaalsContact O-CD2 3.26Å; E392-H396 PolarHBondContact O-N 2.95Å; H396-H399 PolarHBondContact O-N 3.45Å; H396-E400 PolarHBondContact O-N 3.21Å
397L95.6Very high92Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-63.2-44.7176.917858.7000111.6L362 V363 Y366 A371 A386 S393 A394 H399 E400 V401L362-L397 HydrophobicContact CB-CD1 3.98Å; V363-L397 HydrophobicContact CG2-CD1 4.35Å; V363-L397 HydrophobicContact CG2-CD2 4.41Å; Y366-L397 HydrophobicContact CD2-CB 3.99Å; Y366-L397 HydrophobicContact CD2-CD1 3.85Å; Y366-L397 HydrophobicContact CD2-CD2 4.32Å; Y366-L397 HydrophobicContact CD2-CG 4.26Å; Y366-L397 HydrophobicContact CE2-CB 3.89Å; Y366-L397 HydrophobicContact CE2-CD1 3.86Å; Y366-L397 HydrophobicContact CE2-CG 4.4Å; Y366-L397 HydrophobicContact CG-CB 4.46Å; A371-L397 HydrophobicContact CB-CD1 4.43Å; A371-L397 HydrophobicContact CB-CD2 4.06Å; A371-L397 HydrophobicContact CB-CG 4.15Å; A386-L397 HydrophobicContact CB-CB 4.22Å; A386-L397 HydrophobicContact CB-CD2 4.12Å; A386-L397 HydrophobicContact CB-CG 3.94Å; S393-L397 WeakPolarHBondContact O-CB 3.2Å; S393-L397 PolarHBondContact O-N 3.13Å; A394-L397 PolarHBondContact O-N 2.74Å; L397-H399 VanDerWaalsContact C-N 3.29Å; L397-H399 PolarHBondContact O-N 2.93Å; L397-E400 PolarHBondContact O-N 3.28Å; L397-V401 HydrophobicContact CD1-CG2 3.95Å; L397-V401 HydrophobicContact CG-CG2 4.47Å; L397-V401 WeakPolarHBondContact O-CB 3.43Å; L397-V401 VanDerWaalsContact O-CG2 3.28Å; L397-V401 WeakPolarHBondContact O-CG2 3.49Å; L397-V401 PolarHBondContact O-N 2.76Å
398A92.9Very high91.8Very high30 Ų3053.8 Ų53.825%0.24828%0.284CS..Hα-helixtrans-57.6-43.7176.400000111.5A386 A394 D395 S402A386-A398 HydrophobicContact CB-CB 3.84Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.14Å; D395-A398 PolarHBondContact O-N 3.46Å; A398-S402 WeakPolarHBondContact O-CB 3.39Å; A398-S402 PolarHBondContact O-N 2.61Å; A398-S402 PolarHBondContact O-OG 3.27Å
399H94.6Very high91.1Very high36 Ų3653.3 Ų53.317%0.16728%0.28CS..Hα-helixtrans-66.5-48178.3-179.870.4000112.4D395 H396 L397 V401 S402 L403 P416 Q417 P418D395-H399 WeakPolarHBondContact O-CB 3.38Å; D395-H399 PolarHBondContact O-N 3.36Å; H396-H399 PolarHBondContact O-N 3.45Å; L397-H399 VanDerWaalsContact C-N 3.29Å; L397-H399 PolarHBondContact O-N 2.93Å; H399-V401 VanDerWaalsContact C-N 3.31Å; H399-V401 PolarHBondContact O-N 3.4Å; H399-S402 PolarHBondContact O-N 2.96Å; H399-L403 WeakPolarHBondContact O-CG 3.14Å; H399-L403 PolarHBondContact O-N 3.05Å; H399-P416 PolarHBondContact CE1-O 3.01Å; H399-Q417 PolarHBondContact ND1-O 2.73Å; H399-P418 VanDerWaalsContact CE1-N 3.33Å
400E96Very high90.2Very high49 Ų4951.3 Ų51.323%0.22928%0.279CS..Hα-helixtrans-59.9-41.2177-75.2-169.7110.200111.8L362 K365 Y366 H396 L397 L403 A404L362-E400 HydrophobicContact CD1-CB 3.94Å; L362-E400 HydrophobicContact CD2-CB 3.86Å; L362-E400 HydrophobicContact CD2-CG 4.34Å; L362-E400 HydrophobicContact CG-CB 4.44Å; K365-E400 IonicContact NZ-OE1 3.34Å; K365-E400 PolarHBondContact NZ-OE1 3.22Å; K365-E400 IonicContact NZ-OE2 3.31Å; Y366-E400 VanDerWaalsContact CE2-OE2 3.3Å; Y366-E400 WeakPolarHBondContact CE2-OE2 2.85Å; Y366-E400 PolarHBondContact OH-OE2 3.44Å; H396-E400 PolarHBondContact O-N 3.21Å; L397-E400 PolarHBondContact O-N 3.28Å; E400-L403 PolarHBondContact O-N 2.88Å; E400-A404 PolarHBondContact O-N 3.03Å
401V95.4Very high89.2Confident0 Ų050.4 Ų50.40%028%0.277CS..Hα-helixtrans-67.1-41.4176.4172.50000111.1I359 L362 A371 V373 V384 L397 H399 L403 A404 V405I359-V401 HydrophobicContact CD1-CG1 4.48Å; I359-V401 HydrophobicContact CG1-CG1 4.12Å; L362-V401 HydrophobicContact CB-CG2 4.44Å; L362-V401 HydrophobicContact CD1-CG2 3.84Å; A371-V401 HydrophobicContact CB-CG2 3.98Å; V373-V401 HydrophobicContact CG1-CG1 3.49Å; V373-V401 VanDerWaalsContact CG1-CG1 3.49Å; V384-V401 HydrophobicContact CG1-CB 3.94Å; V384-V401 HydrophobicContact CG1-CG1 3.55Å; V384-V401 HydrophobicContact CG2-CG1 4.5Å; L397-V401 HydrophobicContact CD1-CG2 3.95Å; L397-V401 HydrophobicContact CG-CG2 4.47Å; L397-V401 WeakPolarHBondContact O-CB 3.43Å; L397-V401 VanDerWaalsContact O-CG2 3.28Å; L397-V401 WeakPolarHBondContact O-CG2 3.49Å; L397-V401 PolarHBondContact O-N 2.76Å; H399-V401 VanDerWaalsContact C-N 3.31Å; H399-V401 PolarHBondContact O-N 3.4Å; V401-L403 VanDerWaalsContact C-N 3.29Å; V401-L403 PolarHBondContact O-N 3.41Å; V401-A404 WeakPolarHBondContact O-CB 3.29Å; V401-A404 PolarHBondContact O-N 3.4Å; V401-A404 VanDerWaalsContact O-N 3.15Å; V401-V405 HydrophobicContact CG1-CG2 4.44Å; V401-V405 WeakPolarHBondContact O-CG2 3.47Å; V401-V405 PolarHBondContact O-N 3.08Å
402S93.1Very high88Confident31 Ų3148.3 Ų48.322%0.21727%0.269CS..Hα-helixtrans-61.3-38.6176.4-60.40000111.8A398 H399 V405 F406A398-S402 WeakPolarHBondContact O-CB 3.39Å; A398-S402 PolarHBondContact O-N 2.61Å; A398-S402 PolarHBondContact O-OG 3.27Å; H399-S402 PolarHBondContact O-N 2.96Å; S402-V405 PolarHBondContact O-N 2.9Å; S402-F406 WeakPolarHBondContact O-CB 3.28Å; S402-F406 PolarHBondContact O-N 2.95Å
403L93.4Very high87Confident34 Ų3444.3 Ų44.318%0.17827%0.265CS..Hα-helixtrans-65.1-42.3173-73.3179.2000112.4H399 E400 V401 F406 Q407 R415 P416H399-L403 WeakPolarHBondContact O-CG 3.14Å; H399-L403 PolarHBondContact O-N 3.05Å; E400-L403 PolarHBondContact O-N 2.88Å; V401-L403 VanDerWaalsContact C-N 3.29Å; V401-L403 PolarHBondContact O-N 3.41Å; L403-F406 PolarHBondContact O-N 2.91Å; L403-Q407 WeakPolarHBondContact O-CB 3.45Å; L403-Q407 PolarHBondContact O-N 2.77Å; L403-R415 HydrophobicContact CD2-CG 3.64Å; L403-R415 VanDerWaalsContact CD2-NE 3.27Å; L403-P416 HydrophobicContact CD2-CB 4.25Å; L403-P416 HydrophobicContact CD2-CG 4.38Å
404A92.2Very high86.1Confident12 Ų1251.7 Ų51.710%0.09930%0.297CS..Hα-helixtrans-62.9-43.7176.300000111.5L362 E400 V401 Q407 L408L362-A404 HydrophobicContact CD1-CB 4.2Å; E400-A404 PolarHBondContact O-N 3.03Å; V401-A404 WeakPolarHBondContact O-CB 3.29Å; V401-A404 PolarHBondContact O-N 3.4Å; V401-A404 VanDerWaalsContact O-N 3.15Å; A404-Q407 PolarHBondContact O-N 2.87Å; A404-L408 VanDerWaalsContact O-CB 3.24Å; A404-L408 WeakPolarHBondContact O-CB 3.42Å; A404-L408 WeakPolarHBondContact O-CG 3.32Å; A404-L408 PolarHBondContact O-N 2.83Å
405V89.6Confident85.9Confident13 Ų1358.6 Ų58.68%0.07932%0.321CS..Hα-helixtrans-58.7-50.4172.4169.90000110.5I340 L355 V373 V382 V384 V401 S402 Q407 L408 A409I340-V405 HydrophobicContact CD1-CG1 4.02Å; L355-V405 HydrophobicContact CD1-CG2 4.08Å; L355-V405 HydrophobicContact CD2-CG2 4.48Å; V373-V405 HydrophobicContact CB-CG2 4.17Å; V373-V405 HydrophobicContact CG1-CG2 3.65Å; V373-V405 HydrophobicContact CG2-CG2 4.33Å; V382-V405 HydrophobicContact CB-CG1 4.1Å; V382-V405 HydrophobicContact CG1-CG1 3.91Å; V382-V405 HydrophobicContact CG2-CG1 4.26Å; V384-V405 HydrophobicContact CG2-CG2 4.39Å; V401-V405 HydrophobicContact CG1-CG2 4.44Å; V401-V405 WeakPolarHBondContact O-CG2 3.47Å; V401-V405 PolarHBondContact O-N 3.08Å; S402-V405 PolarHBondContact O-N 2.9Å; V405-Q407 VanDerWaalsContact C-N 3.26Å; V405-Q407 PolarHBondContact O-N 2.76Å; V405-L408 PolarHBondContact O-N 3.18Å; V405-A409 HydrophobicContact CG1-CB 4.3Å; V405-A409 WeakPolarHBondContact O-CA 3.42Å; V405-A409 WeakPolarHBondContact O-CB 3.24Å; V405-A409 PolarHBondContact O-N 2.99Å
406F87.1Confident85.7Confident57 Ų5756.4 Ų56.425%0.2531%0.311CS..Hα-helixtrans-58.9-39.6-179.3-170.7-85.5000111.8S402 L403 G411 P416S402-F406 WeakPolarHBondContact O-CB 3.28Å; S402-F406 PolarHBondContact O-N 2.95Å; L403-F406 PolarHBondContact O-N 2.91Å; F406-G411 WeakPolarHBondContact O-CA 3.49Å; F406-G411 PolarHBondContact O-N 2.91Å; F406-P416 HydrophobicContact CB-CG 4.11Å; F406-P416 HydrophobicContact CD2-CG 4.26Å; F406-P416 HydrophobicContact CG-CG 4.41Å
407Q85.8Confident85.1Confident150 Ų15057.7 Ų57.770%0.70132%0.317SS*.Hα-helixtrans-78.1-43.3-178.3-1721702.100113.1L403 A404 V405L403-Q407 WeakPolarHBondContact O-CB 3.45Å; L403-Q407 PolarHBondContact O-N 2.77Å; A404-Q407 PolarHBondContact O-N 2.87Å; V405-Q407 VanDerWaalsContact C-N 3.26Å; V405-Q407 PolarHBondContact O-N 2.76Å
408L82.5Confident84.2Confident75 Ų7562.2 Ų62.239%0.39335%0.346SS..Hα-helixtrans-90.2-29.8-171.6-62.8172.7000112.8P352 L355 A358 A404 V405P352-L408 HydrophobicContact CG-CB 4.38Å; P352-L408 VanDerWaalsContact CG-O 3.27Å; P352-L408 WeakPolarHBondContact CG-O 3.34Å; L355-L408 HydrophobicContact CB-CD1 4.45Å; L355-L408 HydrophobicContact CD1-CB 4.34Å; L355-L408 HydrophobicContact CD1-CD1 4.09Å; A358-L408 HydrophobicContact CB-CD1 3.87Å; A404-L408 VanDerWaalsContact O-CB 3.24Å; A404-L408 WeakPolarHBondContact O-CB 3.42Å; A404-L408 WeakPolarHBondContact O-CG 3.32Å; A404-L408 PolarHBondContact O-N 2.83Å; V405-L408 PolarHBondContact O-N 3.18Å
409A79.4Confident82.6Confident14 Ų1463.3 Ų63.312%0.11636%0.361CS..THydrogen-bonded Turntrans-99.919.6179.200000113.1V339 I340 P352 V405 G411V339-A409 HydrophobicContact CG1-CB 4.04Å; V339-A409 VanDerWaalsContact CG1-O 3.3Å; V339-A409 WeakPolarHBondContact CG1-O 3.15Å; I340-A409 HydrophobicContact CD1-CB 3.88Å; I340-A409 HydrophobicContact CG1-CB 3.86Å; P352-A409 HydrophobicContact CG-CB 4.1Å; V405-A409 HydrophobicContact CG1-CB 4.3Å; V405-A409 WeakPolarHBondContact O-CA 3.42Å; V405-A409 WeakPolarHBondContact O-CB 3.24Å; V405-A409 PolarHBondContact O-N 2.99Å; A409-G411 PolarHBondContact O-N 3.29Å
410G73.6Confident80Confident40 Ų4074.4 Ų74.441%0.41241%0.409SS..THydrogen-bonded Turntrans63.940.517400000113.6
411G71.4Confident79.1Confident29 Ų2975.7 Ų75.730%0.29942%0.418SS..  trans-50.1143.8-178.100000113.5F406 A409F406-G411 WeakPolarHBondContact O-CA 3.49Å; F406-G411 PolarHBondContact O-N 2.91Å; A409-G411 PolarHBondContact O-N 3.29Å
412I64.2Low78.3Confident92 Ų9279.6 Ų79.647%0.47244%0.44SS..  trans-123.3138.2-173.954.6165.3000111
413G72.4Confident77.5Confident54 Ų5482.3 Ų82.356%0.55745%0.452SS*.SBendtrans103.1-155.8-179.500000113.2
414E75.3Confident76.5Confident179 Ų17985.2 Ų85.284%0.83647%0.468SS*.SBendtrans-67.4142.1175.7-66.2-168.116500110.6
415R83.1Confident75.6Confident157 Ų15789.8 Ų89.859%0.59249%0.491SS*.PPolyproline II helixtrans-63.8135175.9-173.3175.6-178.9161.64.3108.6L403 Q417L403-R415 HydrophobicContact CD2-CG 3.64Å; L403-R415 VanDerWaalsContact CD2-NE 3.27Å; R415-Q417 PolarHBondContact O-N 3.05Å
416P86.3Confident74.6Confident35 Ų3594.9 Ų94.923%0.22752%0.519CS..PPolyproline II helixtrans-48.9133.7177.2-28.232.9000111.2H399 L403 F406H399-P416 PolarHBondContact CE1-O 3.01Å; L403-P416 HydrophobicContact CD2-CB 4.25Å; L403-P416 HydrophobicContact CD2-CG 4.38Å; F406-P416 HydrophobicContact CB-CG 4.11Å; F406-P416 HydrophobicContact CD2-CG 4.26Å; F406-P416 HydrophobicContact CG-CG 4.41Å
417Q82.3Confident73.7Confident125 Ų12597.6 Ų97.658%0.58454%0.538SS*.  trans-104.6158.5179.3-66.7-70-11.700110.1H399 R415 G419H399-Q417 PolarHBondContact ND1-O 2.73Å; R415-Q417 PolarHBondContact O-N 3.05Å; Q417-G419 PolarHBondContact O-N 3.32Å
418P77.5Confident72.8Confident94 Ų9493.5 Ų93.561%0.6153%0.525SS*.THydrogen-bonded Turntrans-68122.2174.2-14.828.6000109.9H399H399-P418 VanDerWaalsContact CE1-N 3.33Å
419G58.8Low72Confident54 Ų5495.1 Ų95.156%0.55754%0.537SS*.THydrogen-bonded Turntrans103.5-10.1166.100000117.4Q417Q417-G419 PolarHBondContact O-N 3.32Å
420F39.7Very low71.3Confident268 Ų268102.5 Ų102.5100%1.17558%0.575SS**  trans-154.70172-73-75.2000111.6

Retrieved 420 of 420 residues in 282.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).